# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 V C C 44.56 17.50 15.49 32.30 121.05 -166.18 -109.56 131.17 98.80 1.18 0.01 98.98 0.06 0.02 0.01 0.00 0.00 0.92 0.02 1 Q C C 100.49 6.07 19.92 26.97 119.22 -156.31 -107.49 131.43 52.99 46.25 0.76 51.88 0.54 0.53 0.33 0.35 0.00 44.78 1.59 2 L E E 53.48 18.22 12.03 29.32 118.77 -148.94 -98.78 133.20 38.75 59.28 1.97 34.28 2.65 1.00 0.79 1.14 0.00 58.71 1.43 3 Q E E 88.05 7.84 19.49 28.21 122.79 -163.67 -114.05 139.22 33.10 64.83 2.07 28.28 3.46 1.18 0.77 1.25 0.00 63.51 1.54 4 E E E 99.75 11.90 16.82 28.79 117.60 -132.20 -92.14 136.75 41.45 55.90 2.64 33.53 5.81 2.23 0.80 1.80 0.00 54.30 1.53 5 S C C 47.41 13.42 16.60 29.68 111.07 -161.92 -96.72 101.26 67.71 29.70 2.59 49.95 11.69 5.17 0.55 2.12 0.00 29.30 1.21 6 G C C 37.25 8.86 19.39 28.53 112.99 -123.51 98.04 4.13 75.06 23.56 1.38 40.37 26.49 8.38 0.20 1.26 0.00 22.21 1.11 7 G C C 29.34 13.59 17.74 30.66 129.09 -141.75 123.13 175.71 65.19 34.17 0.64 42.11 19.30 3.84 0.08 0.64 0.00 33.04 0.98 8 G E E 24.88 11.76 20.21 31.96 138.49 141.70 152.54 -174.13 32.01 67.89 0.11 25.27 6.53 0.56 0.02 0.10 0.00 66.70 0.82 9 L E E 81.04 11.01 22.47 33.26 119.96 -79.30 -105.21 135.04 7.44 92.53 0.03 6.32 1.14 0.07 0.01 0.02 0.00 91.78 0.66 10 V E E 17.75 21.35 14.93 35.96 124.10 -168.86 -118.90 136.91 6.81 93.17 0.02 6.28 0.41 0.02 0.02 0.01 0.00 88.41 4.87 11 Q C C 90.54 5.72 23.29 29.18 120.28 -132.40 -86.15 151.08 90.56 9.41 0.02 90.62 0.44 0.05 0.01 0.01 0.00 8.38 0.50 12 P C T 70.42 12.09 14.84 27.27 109.77 -86.41 -59.33 137.85 99.26 0.51 0.24 0.31 2.32 96.79 0.01 0.19 0.00 0.33 0.05 13 G C T 51.47 3.16 19.39 23.12 96.66 22.04 87.50 -5.77 99.41 0.39 0.20 0.39 2.71 96.41 0.01 0.17 0.00 0.29 0.02 14 G C C 24.15 9.05 16.67 27.00 128.76 113.29 -93.15 174.41 90.24 9.70 0.06 72.38 17.80 0.29 0.01 0.07 0.00 8.72 0.73 15 S E E 53.14 9.96 20.61 31.21 131.63 -116.15 -128.77 153.20 47.88 52.11 0.01 47.95 0.57 0.02 0.00 0.01 0.00 50.51 0.92 16 L E E 14.21 23.17 16.26 39.34 124.63 -156.84 -120.17 138.88 2.15 97.85 0.00 2.05 0.05 0.00 0.00 0.00 0.00 97.81 0.09 17 R E E 110.89 8.66 25.58 34.87 119.91 -154.95 -112.74 128.70 0.54 99.46 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.46 0.02 18 L E E 5.60 25.75 17.34 43.58 124.18 -170.38 -119.22 136.32 2.08 97.91 0.01 1.94 0.07 0.00 0.00 0.00 0.00 97.89 0.09 19 S E E 38.13 10.55 27.20 38.21 128.32 -166.49 -119.77 145.71 13.59 86.36 0.06 12.24 0.74 0.08 0.01 0.03 0.00 86.74 0.16 20 C E E 4.84 25.35 18.01 43.63 134.35 173.30 -141.59 149.03 21.35 78.43 0.22 19.32 1.36 0.24 0.08 0.12 0.00 78.30 0.58 21 A E E 38.09 10.20 27.71 38.66 121.51 -153.88 -114.36 138.42 18.89 80.64 0.47 16.75 1.65 0.46 0.19 0.30 0.00 77.39 3.26 22 A E E 7.02 24.72 15.83 40.32 122.45 -170.19 -119.44 132.05 44.04 55.01 0.94 40.60 2.42 0.80 0.25 0.75 0.00 52.11 3.07 23 S C C 55.60 8.41 21.69 30.32 120.19 -154.78 -99.24 144.20 67.60 30.81 1.59 36.25 19.58 13.84 0.20 1.60 0.00 26.49 2.04 24 G C S 49.05 3.87 20.72 25.21 101.65 13.62 84.44 -2.86 87.19 11.13 1.68 13.24 52.17 21.96 0.14 1.62 0.00 9.80 1.08 25 R C C 94.40 13.20 15.76 28.79 121.66 84.72 -104.84 142.15 87.55 10.79 1.67 46.11 33.34 8.60 0.24 1.71 0.00 7.53 2.46 26 T C C 66.85 9.50 19.95 29.75 115.35 -139.03 -102.05 128.54 90.69 8.34 0.97 69.78 14.93 5.63 0.17 1.02 0.00 5.93 2.54 27 I C C 30.85 19.64 14.28 33.14 117.72 -143.16 -102.69 134.31 86.76 11.18 2.05 63.01 16.78 6.53 0.43 1.95 0.00 7.40 3.90 28 S C S 68.34 5.90 20.85 27.21 98.72 -143.40 -84.78 -17.84 90.56 8.14 1.30 17.23 55.27 18.09 0.11 1.29 0.00 7.09 0.91 29 R C S 115.67 6.84 22.09 29.29 118.48 30.12 -124.81 123.51 69.72 28.71 1.58 22.90 30.95 16.51 0.14 1.63 0.00 26.83 1.04 30 Y E E 23.69 22.14 16.25 37.81 131.57 124.05 -129.33 148.65 35.92 63.96 0.12 29.41 5.85 0.38 0.02 0.11 0.00 63.58 0.65 31 A E E 22.13 12.95 26.69 40.30 126.50 -156.43 -119.49 143.29 5.15 94.84 0.01 4.70 0.27 0.02 0.00 0.00 0.00 94.84 0.16 32 M E E 3.61 26.60 20.31 47.40 125.41 -163.97 -122.79 138.25 0.98 99.02 0.00 0.88 0.03 0.00 0.00 0.00 0.00 99.06 0.02 33 S E E 14.68 16.06 28.03 44.20 133.25 -176.44 -133.65 152.67 0.56 99.44 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.49 0.00 34 W E E 7.76 24.86 21.97 46.84 126.72 -150.38 -119.79 140.30 0.51 99.49 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 35 F E E 25.30 16.50 24.81 41.28 133.13 -174.02 -132.66 148.89 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 36 R E E 45.13 17.25 21.14 37.95 125.64 -155.75 -118.84 138.60 0.82 99.18 0.00 0.69 0.04 0.00 0.00 0.00 0.00 99.25 0.02 37 Q E E 56.88 12.16 18.24 31.23 115.67 -146.67 -100.89 128.30 10.74 89.25 0.01 9.85 0.50 0.02 0.00 0.00 0.00 89.19 0.43 38 A C C 27.82 10.89 13.53 26.12 118.79 -135.98 -79.56 152.37 97.38 2.57 0.04 96.17 1.14 0.23 0.01 0.02 0.00 2.17 0.27 39 P C T 95.34 4.86 12.64 19.32 109.11 -76.87 -58.75 135.26 99.29 0.14 0.57 0.42 3.51 95.34 0.01 0.61 0.00 0.08 0.03 40 G C T 68.65 0.33 12.90 10.80 96.47 17.30 82.97 -2.75 99.24 0.11 0.66 0.55 3.41 95.23 0.02 0.71 0.00 0.06 0.02 41 K C S 112.37 4.58 9.59 16.24 129.00 91.23 -115.63 165.09 96.06 2.83 1.10 32.34 60.56 3.43 0.14 0.97 0.00 1.39 1.17 42 E C C 141.16 1.43 16.45 17.21 117.13 -94.79 -76.16 151.68 94.88 4.99 0.13 78.19 16.09 0.71 0.02 0.12 0.00 4.28 0.58 43 R E E 98.47 14.97 11.53 25.96 115.04 -99.73 -72.66 137.90 49.18 50.76 0.06 46.71 1.22 0.09 0.01 0.04 0.00 51.55 0.36 44 E E E 69.79 10.03 19.37 30.39 126.00 -168.51 -123.22 139.45 3.48 96.50 0.03 3.07 0.22 0.02 0.00 0.01 0.00 96.57 0.10 45 F E E 75.47 14.78 19.62 34.22 110.64 -113.68 -74.71 127.66 0.70 99.29 0.01 0.64 0.02 0.00 0.00 0.00 0.00 99.32 0.02 46 V E E 11.83 20.55 20.74 41.44 102.06 175.73 -99.14 -31.35 3.85 96.14 0.01 2.32 1.19 0.06 0.00 0.01 0.00 96.40 0.02 47 A E E 4.82 21.24 22.34 43.78 142.29 -1.71 -156.16 153.34 0.96 99.03 0.01 0.69 0.13 0.01 0.00 0.00 0.00 99.15 0.01 48 V E E 31.00 16.04 24.87 40.70 128.18 -161.10 -131.39 137.75 1.32 98.66 0.02 1.17 0.06 0.01 0.00 0.01 0.00 98.73 0.02 49 A E E 7.18 21.69 19.83 41.55 121.46 -163.48 -116.13 131.66 4.25 95.64 0.12 3.52 0.45 0.10 0.04 0.06 0.00 95.68 0.16 50 R E E 91.59 10.55 22.95 33.54 122.92 -163.72 -113.56 133.48 12.67 87.02 0.31 9.92 2.16 0.64 0.07 0.22 0.00 86.55 0.44 51 R E E 76.88 15.26 14.86 29.70 113.30 -153.71 -98.60 123.59 42.47 56.39 1.14 25.22 13.51 5.96 0.17 1.01 0.00 53.12 1.01 52 S C E 67.76 5.50 16.15 22.54 109.88 -126.17 -99.45 83.07 65.76 31.90 2.34 17.62 25.54 25.06 0.22 2.28 0.01 27.42 1.86 53 G C T 53.03 3.43 14.49 18.95 105.55 -30.53 73.73 -37.75 94.94 2.27 2.78 7.64 35.17 52.10 0.15 2.88 0.00 1.60 0.46 54 D C T 119.72 1.85 14.31 16.64 102.89 13.72 -95.68 6.97 94.98 2.68 2.34 10.52 39.74 44.73 0.13 2.43 0.00 1.99 0.47 55 G C C 34.04 7.29 14.98 23.34 125.35 74.58 -103.41 171.11 59.01 40.24 0.75 38.73 16.53 4.42 0.11 0.76 0.00 38.10 1.34 56 A E E 44.40 15.07 14.21 29.00 125.37 -134.76 -114.67 141.49 32.47 67.26 0.27 28.63 2.74 0.53 0.06 0.20 0.00 66.64 1.18 57 F E E 76.23 11.80 20.15 32.33 124.56 -166.72 -120.80 139.44 13.26 86.58 0.17 11.29 1.72 0.27 0.06 0.11 0.00 84.48 2.06 58 Y E E 78.88 16.64 17.62 33.51 128.72 -163.79 -120.27 146.16 23.02 76.73 0.25 20.39 1.86 0.33 0.13 0.16 0.00 73.40 3.73 59 A C C 17.00 17.39 14.32 32.06 114.31 -109.59 -70.72 143.86 89.99 9.62 0.39 86.41 3.01 0.49 0.12 0.23 0.00 8.80 0.95 60 D H G 110.53 2.68 19.04 22.61 92.54 -123.03 -61.58 -33.53 49.29 0.79 49.93 2.88 6.62 38.80 3.05 47.84 0.01 0.51 0.30 61 S H G 54.61 8.95 17.93 27.77 90.86 61.05 -69.69 -20.09 49.65 0.30 50.06 0.95 3.54 44.75 2.29 48.15 0.00 0.17 0.13 62 V C G 7.36 23.11 11.56 34.93 97.98 43.94 -101.62 -3.05 50.76 0.77 48.47 2.05 4.77 43.33 3.13 45.88 0.01 0.47 0.36 63 Q C T 107.66 7.58 15.55 25.43 110.26 123.21 -60.00 130.46 93.25 2.24 4.52 2.55 4.12 87.19 1.22 2.43 0.00 1.04 1.45 64 G C T 60.31 1.61 19.10 20.13 93.39 13.65 81.04 -2.05 96.15 0.36 3.49 0.73 3.97 92.16 0.40 2.39 0.00 0.23 0.12 65 R C T 83.72 12.85 17.44 30.43 100.30 83.04 -100.25 -18.71 95.02 1.72 3.26 8.01 21.80 65.21 0.40 2.75 0.00 1.56 0.26 66 F E E 9.42 24.25 12.67 37.16 135.01 38.62 -135.70 151.87 14.22 85.73 0.05 11.40 2.72 0.15 0.01 0.04 0.00 83.93 1.74 67 T E E 62.17 6.64 26.69 33.98 128.35 -163.00 -126.90 144.23 2.11 97.89 0.00 2.00 0.07 0.00 0.00 0.00 0.00 97.85 0.07 68 V E E 20.35 24.05 14.92 38.59 123.20 -158.78 -119.78 131.12 1.52 98.47 0.00 1.50 0.03 0.00 0.00 0.00 0.00 98.44 0.02 69 S E E 46.95 6.87 25.47 32.71 132.01 -176.46 -134.06 150.37 2.10 97.90 0.00 1.91 0.07 0.00 0.00 0.00 0.00 97.98 0.03 70 R E E 84.42 18.16 13.85 31.05 122.69 -150.64 -116.00 133.20 4.03 95.95 0.01 3.56 0.32 0.02 0.00 0.01 0.00 95.86 0.23 71 D E E 55.73 7.29 16.47 25.48 109.03 -153.97 -105.06 106.78 20.45 79.48 0.06 19.69 0.74 0.10 0.02 0.04 0.00 78.26 1.16 72 D C T 94.57 6.68 13.02 21.66 93.80 -166.29 -68.68 -26.23 89.77 0.38 9.85 1.13 5.43 81.32 0.18 11.57 0.00 0.24 0.12 73 A C T 91.62 0.93 15.51 15.37 92.68 56.09 -68.66 -35.22 89.84 0.48 9.68 0.54 4.21 83.70 0.15 10.94 0.00 0.26 0.18 74 K C T 109.05 4.78 15.71 21.40 98.07 30.09 -96.30 -4.95 92.58 0.12 7.30 0.87 5.02 84.92 0.12 8.97 0.00 0.06 0.05 75 N C T 54.33 13.09 15.56 29.66 95.30 -128.38 57.26 42.33 99.59 0.17 0.25 6.42 5.27 87.95 0.03 0.18 0.00 0.12 0.02 76 T E E 25.83 12.45 21.35 35.02 132.37 129.83 -132.32 151.76 10.83 89.16 0.01 9.41 1.04 0.06 0.00 0.01 0.00 88.05 1.42 77 V E E 5.94 24.03 19.02 43.49 121.17 -150.01 -114.89 132.48 1.77 98.23 0.00 1.65 0.05 0.00 0.00 0.00 0.00 98.15 0.14 78 Y E E 48.09 13.15 26.54 40.17 122.04 -164.28 -115.10 133.31 2.92 97.08 0.00 2.66 0.07 0.00 0.00 0.00 0.00 97.25 0.01 79 L E E 3.69 25.82 20.00 46.48 119.97 -162.80 -110.14 129.00 0.33 99.67 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.68 0.00 80 Q E E 54.25 11.42 27.10 38.97 119.65 -161.79 -111.95 128.79 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 81 M E E 8.49 24.36 16.85 41.56 119.90 -167.33 -115.16 129.44 10.67 89.33 0.00 10.89 0.09 0.00 0.00 0.00 0.00 88.47 0.55 82 N C C 66.84 7.95 22.75 30.94 118.23 -153.63 -99.99 152.91 96.44 3.53 0.04 52.24 40.73 3.02 0.00 0.07 0.00 3.75 0.19 83 S C S 60.96 5.65 24.16 29.90 98.96 9.13 59.35 56.36 99.25 0.72 0.02 11.63 84.48 3.23 0.00 0.03 0.00 0.53 0.10 84 L C C 17.02 24.12 11.42 35.20 114.70 -151.75 -75.78 133.22 99.04 0.96 0.01 97.94 1.23 0.02 0.00 0.00 0.00 0.26 0.55 85 K C C 91.01 5.17 24.63 29.86 131.06 -171.53 -127.11 155.69 99.87 0.12 0.02 99.50 0.39 0.01 0.00 0.00 0.00 0.02 0.07 86 P H G 65.34 13.68 16.19 29.85 91.19 -104.07 -59.20 -32.15 4.24 0.02 95.74 0.22 0.25 2.64 0.28 96.59 0.00 0.01 0.00 87 E H G 111.48 5.53 21.94 28.27 90.14 62.73 -70.87 -15.19 3.40 0.03 96.57 0.12 0.19 2.25 0.27 97.14 0.00 0.02 0.00 88 D H G 11.57 21.78 17.26 39.30 94.91 68.75 -82.79 -1.01 5.20 0.06 94.74 1.12 0.57 1.65 0.42 96.18 0.00 0.05 0.00 89 T C C 32.55 17.05 22.40 39.11 115.43 106.86 -82.97 134.58 90.98 8.76 0.25 87.87 3.29 0.18 0.03 0.21 0.00 7.98 0.45 90 A E E 10.63 19.29 23.86 42.42 143.31 150.47 -153.28 172.73 5.84 94.14 0.02 5.34 0.46 0.03 0.00 0.01 0.00 93.75 0.40 91 V E E 25.96 17.34 26.09 43.06 119.18 -104.40 -104.00 133.28 0.66 99.34 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.31 0.02 92 Y E E 6.01 25.41 22.55 47.82 123.20 -162.42 -113.39 136.84 0.40 99.59 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 93 Y E E 24.31 19.76 27.86 46.56 131.85 -172.47 -129.20 148.93 1.30 98.67 0.03 1.13 0.07 0.01 0.01 0.01 0.00 98.73 0.04 94 C E E 2.96 25.38 23.93 49.11 127.63 -160.70 -124.11 140.35 9.46 90.08 0.46 7.50 1.24 0.36 0.12 0.21 0.00 90.34 0.21 95 A E E 10.19 18.71 25.81 44.14 126.29 -162.69 -119.84 142.25 13.35 85.84 0.81 11.50 1.43 0.48 0.37 0.36 0.00 84.93 0.93 96 I E E 24.52 19.49 20.29 39.35 122.14 -153.20 -110.48 139.02 33.14 65.78 1.08 27.51 5.18 1.24 0.49 0.61 0.00 62.53 2.43 97 D C C 53.70 11.06 19.45 31.00 112.34 -140.15 -94.42 123.98 67.28 31.19 1.52 53.60 10.27 2.72 0.51 1.03 0.00 30.12 1.76 98 S C C 53.18 11.11 14.77 26.32 102.37 -161.05 -85.91 -2.37 77.28 8.74 13.99 30.73 22.38 26.01 3.47 9.46 0.04 6.14 1.77 99 D C T 103.53 3.69 15.63 20.33 99.67 77.26 -85.07 1.97 78.15 4.22 17.63 22.60 23.52 33.68 4.25 11.85 0.04 2.44 1.62 100 T C C 74.82 6.97 13.87 22.00 107.07 75.40 -94.22 45.61 74.69 7.12 18.19 30.98 21.75 23.82 4.71 12.15 0.05 4.06 2.49 101 F C C 103.12 9.88 12.29 22.89 110.35 120.47 -94.35 106.96 76.05 11.39 12.56 39.10 19.51 18.68 4.24 7.71 0.06 6.80 3.90 102 Y C C 113.08 8.92 12.18 22.21 114.12 -144.18 -100.39 123.99 81.28 10.86 7.86 44.61 21.28 16.17 2.67 4.89 0.03 6.38 3.98 103 S C C 76.91 4.60 13.53 19.63 110.29 -143.73 -86.34 119.06 88.38 4.86 6.76 34.39 24.04 30.80 1.67 4.64 0.01 2.84 1.62 104 G C S 49.52 4.03 14.85 19.93 106.88 24.61 89.56 -32.20 89.40 3.29 7.31 24.68 32.90 32.46 1.39 5.47 0.00 1.81 1.28 105 S C C 66.23 6.88 15.75 23.47 107.98 56.17 -91.96 77.18 84.24 6.77 8.99 42.70 23.77 18.36 1.93 6.96 0.01 4.01 2.26 106 Y C C 73.73 15.76 14.10 29.39 117.39 87.87 -102.51 129.36 74.30 15.12 10.58 46.09 16.17 12.50 3.01 7.61 0.02 10.33 4.26 107 D C C 59.25 11.99 19.78 31.85 111.92 -159.14 -96.48 114.24 68.96 20.70 10.34 45.82 13.16 10.48 3.06 7.26 0.03 16.37 3.83 108 Y C C 71.18 16.55 19.14 34.75 111.26 -162.34 -95.24 113.22 58.73 31.45 9.82 35.13 13.23 11.68 3.52 6.44 0.12 23.39 6.48 109 W C C 66.51 17.39 19.45 35.74 104.59 133.45 -96.58 16.11 60.79 33.37 5.84 35.82 12.62 12.68 2.46 3.61 0.09 22.69 10.03 110 G C C 20.88 15.38 20.24 34.56 120.54 -157.07 44.72 -162.06 80.06 17.31 2.63 49.90 17.76 12.46 0.64 2.17 0.00 13.59 3.48 111 Q C C 92.28 10.61 21.85 32.04 102.78 -47.85 -82.39 18.05 81.54 16.24 2.21 36.21 30.04 16.16 0.40 1.80 0.00 13.03 2.36 112 G C C 18.67 16.08 19.61 34.64 120.96 -112.96 89.08 171.89 72.30 26.93 0.77 40.12 22.39 9.85 0.09 0.80 0.00 25.54 1.20 113 T E E 23.88 19.23 19.42 37.99 120.68 -95.95 -105.45 135.45 28.56 71.37 0.07 25.03 2.69 0.20 0.01 0.06 0.00 71.27 0.73 114 Q E E 83.36 10.44 24.40 34.87 116.53 -137.64 -94.64 129.44 3.12 96.87 0.01 2.89 0.16 0.01 0.00 0.00 0.00 96.79 0.15 115 V E E 9.63 24.03 16.21 40.34 123.03 -168.79 -117.74 132.00 1.86 98.14 0.00 1.86 0.04 0.00 0.00 0.00 0.00 98.06 0.04 116 T E E 57.87 7.91 25.32 33.58 120.68 -158.60 -110.88 134.39 2.29 97.71 0.00 2.24 0.06 0.01 0.00 0.00 0.00 97.52 0.16 117 V E E 20.85 22.03 13.20 34.55 120.37 -157.17 -108.79 132.48 16.08 83.88 0.05 15.01 0.74 0.08 0.01 0.03 0.00 83.24 0.89 118 S C C 54.82 6.48 18.11 25.36 126.61 -159.60 -107.77 158.57 61.22 38.67 0.11 59.49 0.88 0.24 0.03 0.07 0.00 38.11 1.18 119 S C C 73.97 6.45 15.74 23.35 109.28 -100.02 -77.49 136.80 99.81 0.19 0.01 99.73 0.11 0.02 0.00 0.00 0.00 0.12 0.01