# 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 34.68 19.76 15.00 33.96 123.09 -159.78 -114.41 132.61 99.09 0.91 0.00 99.21 0.04 0.00 0.00 0.00 0.00 0.73 0.01 1 Q E E 99.79 5.56 21.07 27.46 119.67 -160.80 -109.39 131.31 34.43 64.98 0.59 33.67 0.60 0.49 0.10 0.45 0.00 63.80 0.90 2 L E E 54.35 18.28 11.98 29.36 114.94 -138.19 -88.94 127.08 14.78 83.92 1.30 12.95 1.01 0.61 0.26 0.90 0.00 83.66 0.61 3 V E E 73.43 7.73 19.32 27.74 105.21 -174.62 -99.99 -22.49 13.70 84.94 1.36 11.00 1.70 0.73 0.23 1.04 0.00 84.82 0.47 4 Q E E 86.31 9.00 18.93 28.54 132.44 -3.33 -138.42 145.46 22.47 75.84 1.69 17.26 3.77 1.44 0.23 1.48 0.00 75.09 0.72 5 S C C 49.14 15.23 14.79 29.21 120.60 -160.29 -106.94 144.38 55.15 43.65 1.20 44.34 7.61 1.84 0.20 1.02 0.00 44.27 0.73 6 G C C 30.89 8.46 20.19 28.97 125.77 -135.85 108.37 -171.17 69.71 29.77 0.51 35.99 30.30 3.00 0.07 0.49 0.00 29.48 0.67 7 V C E 76.88 10.79 18.62 29.47 122.67 -33.72 -106.44 140.21 58.85 40.90 0.25 40.56 15.62 1.69 0.02 0.27 0.00 41.26 0.58 8 T E E 28.32 17.69 16.35 33.75 130.44 -173.89 -131.56 144.92 18.03 81.94 0.03 15.29 2.32 0.16 0.00 0.03 0.00 81.81 0.39 9 L E E 84.43 8.45 23.80 32.54 117.08 -137.90 -104.14 126.89 2.98 97.01 0.01 2.74 0.19 0.01 0.00 0.00 0.00 96.87 0.19 10 V E E 16.11 21.79 14.61 36.04 125.26 -172.22 -122.52 139.07 4.65 95.34 0.01 4.61 0.19 0.01 0.00 0.00 0.00 93.58 1.60 11 Q C C 87.68 5.75 23.52 29.22 121.64 -133.59 -90.68 149.88 93.52 6.46 0.02 93.23 0.55 0.05 0.00 0.01 0.00 5.84 0.31 12 P C T 64.82 12.80 15.14 28.15 109.86 -83.60 -59.47 137.54 99.47 0.35 0.18 0.23 2.36 97.01 0.00 0.14 0.00 0.22 0.04 13 G C T 49.63 3.52 19.61 23.77 96.48 21.51 87.34 -5.90 99.52 0.32 0.16 0.37 2.66 96.59 0.00 0.14 0.00 0.22 0.02 14 G C C 22.93 9.43 16.33 27.09 128.61 115.17 -91.32 173.33 89.79 10.14 0.07 70.82 19.04 0.32 0.01 0.08 0.00 8.89 0.84 15 S C C 53.88 9.28 20.94 31.13 131.70 -126.00 -130.94 152.51 52.45 47.54 0.01 52.32 0.63 0.03 0.00 0.01 0.00 46.17 0.83 16 L E E 14.19 23.37 15.93 39.18 126.93 -159.72 -126.23 140.09 1.99 98.01 0.00 1.90 0.05 0.00 0.00 0.00 0.00 97.97 0.08 17 R E E 112.70 7.93 25.73 34.39 119.47 -154.28 -110.05 127.50 0.49 99.51 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.51 0.01 18 V E E 5.02 25.87 16.82 43.26 122.76 -170.04 -117.25 133.68 1.78 98.21 0.00 1.65 0.05 0.00 0.00 0.00 0.00 98.27 0.03 19 S E E 39.06 9.82 27.29 37.66 126.59 -166.01 -115.95 144.45 10.92 89.06 0.02 9.43 0.66 0.04 0.00 0.01 0.00 89.78 0.09 20 C E E 6.00 25.53 17.21 42.96 132.53 -173.91 -138.73 147.15 14.57 85.39 0.05 13.17 0.76 0.06 0.01 0.03 0.00 85.71 0.26 21 A E E 38.21 9.97 27.63 38.32 124.10 -160.39 -117.23 140.03 8.61 91.25 0.14 7.71 0.74 0.12 0.06 0.07 0.00 90.24 1.05 22 A E E 8.19 24.57 15.64 40.11 124.87 -170.96 -124.14 132.73 22.57 76.85 0.58 21.09 1.35 0.30 0.22 0.40 0.00 74.24 2.40 23 S E E 57.18 7.36 22.00 29.85 126.53 -164.42 -113.62 146.86 48.37 50.81 0.82 19.82 16.54 14.48 0.07 0.85 0.00 47.18 1.07 24 G C S 50.32 3.20 21.55 25.09 96.40 17.23 81.37 3.11 73.90 25.49 0.61 19.98 35.03 19.30 0.04 0.68 0.00 24.09 0.87 25 F C C 43.58 20.76 11.18 30.82 118.55 137.81 -86.24 138.95 76.32 22.98 0.71 65.91 7.86 1.84 0.16 0.68 0.00 19.99 3.55 26 T C C 78.65 5.40 21.02 27.01 117.81 -163.32 -114.13 129.62 83.65 15.56 0.79 69.00 10.46 3.54 0.19 0.75 0.00 11.78 4.29 27 F C C 78.12 15.04 13.57 28.08 111.37 -137.35 -92.95 109.24 84.46 11.79 3.75 40.30 27.68 17.40 0.67 3.25 0.01 7.46 3.23 28 S C S 74.60 4.61 18.26 23.65 98.57 68.59 -79.84 -13.36 89.94 5.84 4.21 24.18 36.72 29.41 0.48 3.96 0.00 3.94 1.32 29 S C S 57.48 7.99 18.67 27.08 103.20 39.50 -103.71 -1.44 87.69 8.18 4.13 22.55 39.10 26.39 0.42 3.84 0.00 6.57 1.14 30 Y C C 48.08 17.83 16.65 34.02 126.17 65.87 -114.03 146.99 67.55 30.68 1.77 37.24 25.02 6.05 0.29 1.59 0.00 28.26 1.54 31 A E E 21.41 13.52 24.73 38.86 124.92 -148.99 -115.68 145.54 26.85 73.01 0.14 23.89 2.08 0.29 0.02 0.11 0.00 73.13 0.48 32 M E E 4.92 25.87 20.37 46.54 126.10 -160.89 -123.14 139.42 2.68 97.31 0.00 2.52 0.11 0.01 0.00 0.00 0.00 97.27 0.09 33 S E E 16.56 16.19 27.89 44.00 131.23 -172.16 -129.23 148.26 0.70 99.29 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.33 0.01 34 W E E 8.21 24.67 22.06 46.66 126.41 -158.88 -119.78 140.69 0.58 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.47 0.00 35 V E E 17.02 17.04 24.79 41.88 128.90 -170.06 -126.35 143.16 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 36 R E E 46.88 17.35 21.44 38.20 124.77 -163.46 -117.67 138.42 0.71 99.29 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.33 0.01 37 Q E E 61.11 12.19 19.07 31.80 117.91 -144.94 -101.98 128.86 4.95 95.04 0.01 4.51 0.23 0.02 0.00 0.01 0.00 95.03 0.21 38 A C C 27.01 11.61 13.66 26.79 117.95 -131.36 -77.87 150.37 73.97 25.83 0.21 70.83 1.93 0.42 0.03 0.16 0.00 25.97 0.66 39 P C T 95.09 5.09 12.84 19.69 108.88 -83.08 -58.89 135.62 94.24 0.31 5.44 0.47 3.64 89.34 0.07 6.24 0.00 0.18 0.07 40 G C T 69.44 0.30 13.25 10.96 95.90 14.92 81.68 -4.55 94.31 0.10 5.59 0.46 3.12 89.81 0.08 6.44 0.00 0.05 0.03 41 K C T 129.75 3.45 12.13 17.05 107.06 72.33 -106.09 -4.08 89.50 2.79 7.70 9.47 30.77 47.35 0.25 9.66 0.00 1.82 0.67 42 G C C 32.35 4.36 16.66 22.23 127.94 -120.64 92.10 -168.39 66.08 33.75 0.17 49.38 15.26 1.76 0.03 0.19 0.00 32.05 1.33 43 L E E 56.05 16.36 13.34 29.47 115.92 -29.66 -78.86 137.35 27.01 72.97 0.02 24.55 1.02 0.07 0.00 0.02 0.00 74.17 0.16 44 E E E 77.36 9.32 21.62 31.53 127.16 -170.59 -125.34 141.53 2.28 97.72 0.00 1.96 0.14 0.01 0.00 0.00 0.00 97.85 0.04 45 W E E 89.78 15.92 19.15 34.67 110.57 -113.30 -72.97 127.57 0.54 99.46 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.46 0.01 46 V E E 15.23 19.30 21.20 40.68 102.01 175.80 -100.27 -30.42 5.14 94.86 0.00 2.88 1.67 0.04 0.00 0.00 0.00 95.39 0.01 47 S E E 6.31 19.60 23.04 42.80 144.18 -9.58 -161.06 157.80 0.89 99.11 0.00 0.62 0.10 0.01 0.00 0.00 0.00 99.27 0.00 48 A E E 20.71 18.39 23.42 41.15 134.64 -164.75 -142.74 147.84 0.47 99.53 0.00 0.39 0.02 0.00 0.00 0.00 0.00 99.58 0.01 49 I E E 19.53 18.66 20.15 38.95 122.02 -151.21 -118.26 131.05 1.13 98.86 0.00 0.98 0.07 0.00 0.00 0.00 0.00 98.77 0.18 50 S E E 35.01 10.99 20.21 31.91 116.17 -152.36 -96.30 144.30 37.08 62.83 0.09 32.89 2.58 0.37 0.02 0.08 0.00 63.46 0.62 51 G C T 32.51 11.42 16.75 28.36 98.31 -124.48 -72.21 -20.41 94.66 2.69 2.64 5.34 23.95 65.15 0.13 2.85 0.00 2.11 0.47 52 L C T 109.12 5.15 16.03 22.23 105.69 52.96 -85.76 59.17 94.94 1.00 4.07 2.08 14.57 77.78 0.21 4.34 0.00 0.61 0.41 53 G C T 54.29 3.29 15.40 19.57 101.17 -24.68 86.14 -0.90 95.54 0.67 3.79 4.24 16.94 73.39 0.17 4.59 0.00 0.41 0.25 54 G C C 44.06 6.75 14.30 22.07 103.13 -88.70 81.93 -0.77 96.37 2.16 1.47 41.30 24.26 30.72 0.15 1.62 0.00 1.44 0.51 55 S C C 59.48 5.84 17.50 24.28 119.60 124.65 -84.06 149.90 76.81 23.05 0.14 67.34 7.80 0.73 0.02 0.15 0.00 23.16 0.80 56 T E E 58.41 15.70 14.29 29.56 127.87 -157.14 -124.84 142.31 15.31 84.66 0.03 13.86 0.98 0.07 0.01 0.02 0.00 83.44 1.62 57 Y E E 85.35 10.86 20.88 32.27 128.93 -172.60 -132.15 143.25 5.15 94.84 0.01 4.29 0.78 0.03 0.01 0.01 0.00 94.06 0.82 58 Y E E 97.30 14.45 18.39 32.39 127.27 -154.93 -118.14 142.56 15.65 84.28 0.06 14.33 1.05 0.09 0.03 0.04 0.00 82.10 2.37 59 A C C 13.79 18.84 12.76 31.84 112.83 -113.96 -75.68 135.62 89.29 10.26 0.45 84.98 3.58 0.54 0.12 0.30 0.00 9.68 0.80 60 D C G 114.49 2.05 18.80 21.27 93.02 -133.29 -63.33 -31.15 51.88 0.90 47.22 3.52 8.59 38.64 2.39 45.93 0.01 0.54 0.37 61 S C G 58.43 7.87 17.48 26.32 91.28 61.41 -70.30 -19.62 52.62 0.41 46.98 1.30 5.01 44.77 1.91 46.58 0.00 0.23 0.19 62 V C G 9.91 22.20 10.99 33.25 98.81 42.71 -103.85 0.61 52.72 1.91 45.37 3.64 7.00 41.05 2.62 43.74 0.02 1.23 0.71 63 K C T 125.32 6.69 15.03 24.26 110.33 124.62 -60.04 130.44 92.39 3.55 4.06 3.48 5.05 84.37 1.14 2.24 0.01 1.87 1.85 64 G C T 62.10 1.31 18.48 18.75 94.29 13.20 80.93 -3.17 96.38 0.44 3.17 0.92 4.35 91.69 0.37 2.23 0.00 0.29 0.14 65 R C T 88.27 11.99 17.13 29.42 100.96 73.44 -99.92 -21.91 95.76 1.54 2.70 5.19 19.90 70.71 0.29 2.25 0.00 1.43 0.22 66 F E E 9.64 23.74 12.82 36.93 135.63 32.28 -138.54 152.99 15.59 84.36 0.05 11.12 4.55 0.24 0.02 0.04 0.00 81.27 2.76 67 T E E 61.08 6.72 26.48 33.84 126.64 -157.38 -123.54 140.27 2.71 97.28 0.00 2.57 0.09 0.00 0.00 0.00 0.00 97.21 0.12 68 I E E 20.19 24.18 15.02 38.97 122.99 -160.56 -117.87 131.28 1.95 98.04 0.00 1.90 0.04 0.00 0.00 0.00 0.00 98.01 0.05 69 S E E 44.95 7.26 25.40 33.06 134.31 174.85 -135.27 154.34 2.99 97.00 0.01 2.70 0.13 0.01 0.00 0.00 0.00 97.09 0.07 70 R E E 83.87 18.04 13.92 31.05 124.05 -149.36 -118.86 136.10 7.81 92.14 0.05 7.00 0.74 0.09 0.01 0.03 0.00 91.50 0.63 71 D E E 55.32 7.84 15.98 25.47 109.34 -146.46 -100.15 109.19 45.74 54.10 0.15 43.64 1.46 0.25 0.04 0.11 0.00 52.98 1.52 72 N C T 104.52 6.24 12.98 21.17 93.83 -161.55 -69.36 -22.39 90.36 0.65 9.00 2.54 14.04 72.01 0.23 10.55 0.00 0.45 0.18 73 S C T 92.00 0.92 15.40 15.09 94.83 57.33 -75.78 -30.77 88.65 1.22 10.13 1.60 13.35 71.92 0.23 11.72 0.00 0.81 0.36 74 K C T 105.16 6.00 15.52 22.24 98.90 32.55 -98.74 -2.60 90.53 0.33 9.13 3.27 21.71 63.40 0.21 11.07 0.00 0.20 0.14 75 N C T 59.32 13.01 15.99 29.64 96.23 -130.58 53.53 41.19 99.18 0.44 0.38 11.91 18.47 68.79 0.04 0.37 0.00 0.36 0.06 76 T E E 27.73 12.16 21.30 34.67 132.41 118.99 -129.10 150.34 23.60 76.37 0.02 19.27 3.94 0.14 0.00 0.03 0.00 74.52 2.10 77 L E E 6.10 24.25 18.80 43.53 121.03 -148.52 -112.40 133.12 3.23 96.77 0.00 3.22 0.08 0.00 0.00 0.00 0.00 96.46 0.24 78 Y E E 48.71 13.11 26.61 40.19 122.82 -164.20 -117.16 134.76 1.53 98.47 0.00 1.36 0.05 0.00 0.00 0.00 0.00 98.58 0.01 79 L E E 3.74 25.80 19.80 46.26 120.28 -163.65 -112.51 129.92 0.16 99.84 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 80 Q E E 57.63 10.90 26.98 38.35 119.05 -161.33 -112.40 127.45 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.01 81 M E E 10.24 24.10 16.45 40.78 120.01 -168.67 -115.20 129.58 14.15 85.85 0.00 14.39 0.09 0.00 0.00 0.00 0.00 84.91 0.60 82 N C S 73.82 7.06 22.61 29.87 119.98 -156.77 -95.45 143.69 96.43 3.53 0.04 46.01 47.10 2.86 0.00 0.07 0.00 3.79 0.17 83 S C S 59.92 5.44 24.06 29.68 104.80 8.75 58.60 81.40 99.08 0.89 0.03 14.57 81.94 2.66 0.00 0.03 0.00 0.65 0.14 84 L C C 17.59 24.28 11.80 35.86 114.06 -147.55 -74.29 133.39 98.77 1.23 0.01 98.18 0.87 0.02 0.00 0.00 0.00 0.40 0.53 85 R C C 98.31 5.19 24.93 30.30 133.57 -176.36 -129.40 161.87 97.94 2.02 0.04 97.40 0.78 0.01 0.01 0.02 0.00 0.34 1.44 86 A H G 46.31 15.29 15.86 30.90 90.93 -101.62 -59.33 -33.09 3.72 0.03 96.25 0.22 0.25 2.28 0.26 96.98 0.00 0.02 0.00 87 E H G 118.86 4.57 22.33 27.78 90.23 63.01 -71.09 -16.09 3.12 0.04 96.85 0.14 0.20 2.01 0.27 97.36 0.00 0.03 0.00 88 D H G 12.65 21.32 17.38 38.92 94.28 65.20 -84.47 -0.42 4.62 0.06 95.31 0.97 0.51 1.55 0.38 96.54 0.00 0.05 0.00 89 T C C 30.79 17.47 21.81 39.06 115.73 109.67 -79.05 136.04 92.55 7.22 0.23 89.78 3.02 0.17 0.03 0.17 0.00 6.41 0.40 90 A E E 9.83 19.66 23.84 42.72 143.68 154.16 -156.78 171.39 4.65 95.32 0.03 4.30 0.35 0.03 0.01 0.01 0.00 94.77 0.52 91 V E E 24.09 17.67 26.16 43.42 118.98 -106.79 -103.91 132.80 0.70 99.29 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.26 0.02 92 Y E E 7.51 24.90 22.91 47.56 122.39 -158.63 -110.76 136.95 0.55 99.44 0.01 0.49 0.03 0.00 0.00 0.00 0.00 99.45 0.01 93 Y E E 22.06 20.05 27.56 46.60 131.23 -172.77 -128.95 147.14 1.83 98.08 0.09 1.58 0.13 0.03 0.03 0.03 0.00 98.12 0.09 94 C E E 4.73 24.04 24.08 47.64 127.75 -164.45 -123.29 141.26 14.17 84.91 0.92 11.80 1.50 0.49 0.34 0.37 0.00 85.04 0.46 95 A E E 9.13 19.82 22.62 42.26 118.45 -131.67 -91.80 140.92 31.76 64.48 3.76 26.71 4.01 1.40 2.30 1.46 0.01 62.49 1.62 96 K C C 62.80 14.68 20.99 35.19 111.10 -150.60 -95.43 131.15 61.21 29.12 9.67 36.66 19.21 6.11 6.22 3.44 0.06 26.02 2.28 97 D C C 59.52 9.77 19.49 29.62 112.28 -108.34 -96.88 121.24 72.22 12.79 15.00 51.21 14.14 6.55 11.01 4.47 0.03 10.64 1.96 98 H H H 90.57 11.46 15.21 26.88 99.63 -159.74 -75.73 -13.03 45.05 5.92 49.03 24.21 10.70 11.52 35.43 12.39 0.15 4.21 1.39 99 R H H 136.17 4.91 16.48 22.25 97.86 73.15 -74.49 -20.51 37.26 7.83 54.91 17.00 8.75 12.93 38.68 14.72 0.33 6.00 1.59 100 V H H 65.65 9.43 14.16 24.45 99.50 58.51 -81.35 -24.63 32.54 12.43 55.02 16.31 7.23 10.63 39.18 14.28 0.37 9.97 2.03 101 W H H 106.09 11.58 12.20 24.05 103.93 59.35 -86.54 -7.10 37.55 11.91 50.53 19.79 8.29 11.55 36.53 12.02 0.38 8.99 2.44 102 A C H 67.30 5.38 13.69 20.25 104.76 75.96 -84.33 13.77 50.44 7.15 42.40 19.42 11.22 21.20 31.53 9.39 0.38 4.81 2.06 103 A C T 73.45 4.41 13.45 19.01 103.73 39.36 -84.19 35.19 74.38 1.67 23.95 12.16 13.88 47.18 16.77 8.09 0.07 0.93 0.91 104 G C T 47.53 4.73 14.58 20.27 107.00 -46.70 86.04 6.59 87.63 2.44 9.93 21.49 20.27 46.66 4.11 5.08 0.01 1.45 0.92 105 Y C C 100.03 11.22 12.90 24.63 112.55 127.91 -96.56 120.10 79.82 13.51 6.67 48.22 19.42 12.54 2.31 4.39 0.02 9.33 3.78 106 H C C 95.19 9.36 18.16 27.90 112.26 -154.88 -101.23 117.11 76.47 18.44 5.10 51.61 15.90 9.02 1.58 3.68 0.01 14.82 3.38 107 F C C 50.12 18.13 15.29 32.75 122.10 -157.02 -109.29 137.73 73.31 22.60 4.09 53.13 13.51 6.59 1.25 2.93 0.01 19.58 3.00 108 D C C 52.50 12.57 21.28 33.90 114.16 -152.51 -100.41 125.86 66.87 29.72 3.42 50.85 11.26 5.02 0.93 2.54 0.01 26.91 2.50 109 Y C C 72.07 16.84 19.38 35.37 119.06 -158.63 -108.41 129.48 52.01 44.24 3.76 39.11 7.68 4.40 1.50 2.60 0.02 37.02 7.67 110 W C C 64.41 17.11 19.03 35.34 111.31 -167.65 -102.91 98.72 60.26 37.25 2.50 44.71 8.41 6.01 1.05 1.63 0.01 28.10 10.08 111 G C C 21.60 14.28 20.25 33.67 122.40 -135.89 76.01 -169.81 80.85 17.68 1.47 48.11 22.48 10.83 0.30 1.28 0.00 14.40 2.59 112 Q C C 99.60 9.01 22.41 31.29 100.04 -44.14 -83.82 4.58 83.44 15.41 1.15 40.35 34.51 9.33 0.19 1.03 0.00 12.56 2.02 113 G C C 14.64 17.52 19.09 35.45 126.50 -133.10 89.40 -173.25 74.82 24.87 0.31 50.13 20.48 3.55 0.04 0.34 0.00 24.46 1.00 114 A E E 18.18 18.73 20.69 38.84 120.89 -90.72 -103.72 139.74 22.16 77.81 0.03 19.99 1.50 0.10 0.00 0.03 0.00 77.87 0.51 115 L E E 67.14 12.06 24.28 36.10 116.35 -136.87 -96.30 130.20 1.81 98.19 0.00 1.69 0.07 0.00 0.00 0.00 0.00 98.18 0.06 116 V E E 9.30 23.69 16.72 40.44 122.34 -167.44 -115.26 132.72 0.70 99.30 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.29 0.02 117 T E E 58.22 8.11 24.48 32.88 120.27 -158.77 -107.10 133.40 2.41 97.59 0.00 2.34 0.06 0.00 0.00 0.00 0.00 97.45 0.14 118 V E E 22.34 21.33 12.65 33.26 118.01 -158.42 -106.65 129.02 31.96 68.00 0.04 31.55 0.36 0.06 0.01 0.02 0.00 67.15 0.84 119 S C C 58.66 6.53 20.46 27.21 119.39 -155.97 -98.17 151.55 99.73 0.27 0.00 99.74 0.05 0.01 0.00 0.00 0.00 0.19 0.01