# 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 32.65 19.99 15.70 34.91 121.79 -164.63 -108.02 132.55 99.01 0.98 0.01 99.15 0.05 0.01 0.01 0.00 0.00 0.75 0.02 1 Q C C 96.59 6.49 21.74 29.01 120.20 -158.32 -110.34 131.25 50.61 47.74 1.65 49.18 0.69 0.65 0.92 0.64 0.00 46.22 1.71 2 L E E 47.66 19.17 13.14 31.42 116.82 -142.29 -93.74 130.84 34.59 62.10 3.31 30.43 2.39 1.16 1.60 1.60 0.00 61.48 1.34 3 V E E 61.91 10.00 19.42 30.09 119.77 -166.40 -110.58 134.75 29.51 66.63 3.86 24.58 3.48 1.50 1.87 1.94 0.00 65.31 1.33 4 E E E 95.06 11.43 18.30 29.78 119.20 -132.97 -97.43 134.18 37.00 58.06 4.94 28.32 6.37 3.10 2.43 2.45 0.01 55.91 1.41 5 S C C 46.83 14.10 16.59 30.13 112.75 -169.34 -98.11 129.80 61.81 33.51 4.67 42.46 12.09 6.95 2.07 2.70 0.00 32.52 1.21 6 G C C 37.64 9.61 19.50 29.08 111.06 -118.59 91.35 3.83 73.91 22.87 3.22 33.27 26.80 14.29 1.08 2.14 0.00 21.35 1.07 7 G C C 31.13 13.12 18.03 30.40 120.74 -57.53 124.43 176.71 73.17 24.80 2.03 36.93 26.46 10.07 0.37 1.63 0.00 23.61 0.93 8 G E E 26.37 11.44 19.90 31.34 126.25 127.60 140.33 -172.41 44.73 55.06 0.21 31.65 12.43 1.39 0.03 0.22 0.00 53.50 0.78 9 L E E 79.44 11.46 21.93 33.09 120.96 -65.93 -105.02 135.01 10.83 89.11 0.06 9.17 1.63 0.13 0.02 0.05 0.00 88.03 0.97 10 V E E 17.96 21.03 15.16 35.92 124.39 -167.89 -118.38 136.72 6.57 93.41 0.02 5.97 0.45 0.02 0.02 0.01 0.00 86.89 6.64 11 Q C C 92.13 5.64 23.58 29.44 120.85 -134.37 -89.35 148.68 90.00 9.98 0.02 89.96 0.46 0.05 0.00 0.01 0.00 9.03 0.50 12 P C T 67.22 12.89 14.84 27.90 109.80 -85.65 -59.20 137.51 99.24 0.56 0.20 0.31 2.22 96.90 0.01 0.15 0.00 0.38 0.05 13 G C T 49.89 3.49 19.63 23.82 96.33 22.41 87.49 -6.01 99.44 0.39 0.17 0.41 2.70 96.43 0.01 0.13 0.00 0.30 0.02 14 G C C 22.99 9.52 16.53 27.35 128.18 114.42 -90.94 173.09 90.39 9.57 0.05 73.81 16.40 0.22 0.01 0.05 0.00 8.93 0.59 15 S E E 53.62 9.67 20.82 31.23 131.26 -121.62 -127.91 152.64 40.35 59.63 0.02 40.61 0.48 0.03 0.00 0.01 0.00 57.85 1.03 16 L E E 13.99 23.24 16.04 39.22 124.83 -156.99 -121.84 137.72 1.85 98.15 0.00 1.75 0.05 0.00 0.00 0.00 0.00 98.12 0.08 17 R E E 113.65 8.14 25.38 34.17 119.20 -154.34 -111.22 128.46 0.73 99.27 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.28 0.02 18 L E E 6.23 25.56 16.95 42.95 123.77 -169.26 -116.22 134.91 2.80 97.19 0.01 2.58 0.11 0.01 0.00 0.00 0.00 97.21 0.08 19 S E E 39.61 10.37 26.92 37.70 129.81 -168.21 -125.13 147.00 12.46 87.49 0.05 11.14 0.80 0.08 0.01 0.03 0.00 87.79 0.14 20 C E E 6.18 24.87 17.57 42.54 133.59 -171.92 -139.81 148.29 15.88 83.96 0.15 14.27 1.12 0.16 0.05 0.08 0.00 83.92 0.40 21 A E E 40.13 9.79 27.35 37.78 120.90 -157.63 -113.21 136.90 12.53 87.20 0.27 11.35 1.07 0.25 0.11 0.16 0.00 84.99 2.07 22 A E E 6.71 24.80 15.54 40.25 117.23 -169.13 -120.79 118.51 37.58 61.89 0.53 35.15 1.87 0.47 0.16 0.39 0.00 59.29 2.66 23 S C E 58.02 7.44 21.92 29.90 122.48 -175.21 -108.41 141.64 62.87 36.28 0.85 31.44 18.99 14.70 0.10 0.90 0.00 32.38 1.49 24 G C S 51.38 3.03 21.58 24.90 96.35 14.94 82.11 2.22 84.91 14.39 0.70 15.26 49.20 20.24 0.05 0.79 0.00 13.52 0.95 25 F C C 37.16 20.45 11.80 31.42 123.60 112.23 -103.80 145.03 82.40 16.60 1.01 54.61 21.92 6.09 0.17 1.11 0.00 13.11 2.98 26 N C C 93.04 5.11 23.76 29.34 112.55 -154.99 -108.18 103.83 84.22 15.06 0.72 62.91 14.72 6.23 0.12 0.79 0.00 12.41 2.82 27 V C C 24.64 21.78 12.66 33.34 120.02 126.68 -104.90 135.21 74.27 24.14 1.59 56.13 13.48 4.06 0.40 1.44 0.00 17.64 6.85 28 Y C S 146.26 4.06 21.96 26.43 101.12 -171.94 -92.50 -23.62 79.77 19.14 1.10 22.38 39.17 18.79 0.12 1.11 0.00 16.79 1.63 29 S C S 51.27 7.44 22.68 30.44 136.05 9.18 -147.61 150.31 68.80 30.18 1.02 20.39 30.17 18.24 0.09 1.04 0.00 29.13 0.94 30 S E E 11.88 22.28 16.38 37.99 136.65 137.08 -137.04 155.10 40.39 59.44 0.17 32.71 6.82 0.61 0.03 0.16 0.00 58.96 0.72 31 S E E 23.03 12.28 27.17 40.24 130.08 -161.20 -130.27 147.06 7.48 92.51 0.02 6.83 0.45 0.03 0.00 0.01 0.00 92.40 0.27 32 I E E 3.25 26.79 19.84 47.35 124.49 -160.15 -122.83 135.54 1.57 98.42 0.00 1.44 0.06 0.00 0.00 0.00 0.00 98.48 0.03 33 H E E 44.09 14.34 28.32 42.70 129.48 -173.12 -127.83 143.35 0.68 99.31 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.00 34 W E E 8.38 24.71 21.86 46.54 123.69 -155.03 -113.21 136.86 0.52 99.48 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.52 0.00 35 V E E 15.16 17.42 24.63 42.03 128.87 -171.09 -126.99 142.42 0.37 99.63 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 36 R E E 48.99 17.14 21.68 38.20 123.91 -159.85 -115.87 136.63 0.67 99.33 0.00 0.56 0.03 0.00 0.00 0.00 0.00 99.39 0.01 37 Q E E 60.10 12.43 18.81 31.79 118.34 -144.01 -99.79 129.74 6.27 93.71 0.01 5.59 0.37 0.02 0.00 0.01 0.00 93.77 0.24 38 A C C 27.52 11.19 13.94 26.75 118.15 -134.18 -79.08 151.26 82.34 17.47 0.18 79.30 1.89 0.40 0.03 0.13 0.00 17.63 0.62 39 P C T 96.04 4.86 12.91 19.66 109.24 -84.81 -58.90 135.35 94.79 0.36 4.85 0.72 4.38 88.98 0.09 5.53 0.00 0.22 0.09 40 G C T 69.28 0.31 13.32 11.08 95.79 15.08 81.85 -4.06 94.81 0.15 5.04 0.72 3.94 89.37 0.11 5.72 0.00 0.09 0.05 41 K C S 128.67 3.58 12.05 17.16 107.96 73.91 -106.45 -2.63 88.12 4.54 7.34 14.03 40.26 33.00 0.32 8.45 0.00 3.00 0.93 42 G C C 32.43 4.47 16.87 22.44 127.92 -115.15 93.17 -170.15 75.68 24.08 0.24 57.16 16.27 1.95 0.03 0.26 0.00 23.12 1.21 43 L E E 56.07 16.62 13.27 29.60 116.10 -35.47 -78.11 137.00 32.13 67.84 0.03 29.88 0.99 0.06 0.00 0.02 0.00 68.81 0.23 44 R E E 96.59 9.34 21.87 31.78 127.53 -170.08 -126.37 140.83 2.38 97.62 0.00 2.04 0.14 0.01 0.00 0.00 0.00 97.75 0.05 45 W E E 84.01 16.57 19.84 35.91 110.70 -113.62 -72.99 128.38 0.48 99.52 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 46 V E E 10.45 20.87 21.95 42.94 102.11 175.28 -100.09 -31.40 3.04 96.95 0.00 1.88 0.84 0.02 0.00 0.00 0.00 97.25 0.01 47 A E E 3.66 21.93 23.53 45.59 143.19 -2.86 -159.03 155.24 0.43 99.56 0.00 0.32 0.04 0.00 0.00 0.00 0.00 99.64 0.00 48 S E E 14.19 19.48 24.97 43.61 134.55 -169.42 -140.39 148.68 0.46 99.53 0.00 0.39 0.02 0.00 0.00 0.00 0.00 99.59 0.01 49 I E E 12.96 20.39 21.82 42.21 121.26 -156.31 -117.73 129.33 1.83 98.16 0.01 1.52 0.17 0.01 0.00 0.01 0.00 98.15 0.14 50 S E E 19.46 12.86 20.51 34.61 117.21 -159.35 -103.11 131.47 24.83 75.00 0.16 21.26 2.33 0.42 0.03 0.13 0.00 75.31 0.52 51 S C T 41.60 13.57 16.08 29.96 96.74 -150.63 -74.06 -23.24 90.92 4.41 4.68 6.25 15.89 68.43 0.31 4.69 0.00 3.76 0.65 52 Y C T 148.67 3.76 17.46 21.88 98.10 52.19 -78.77 -34.46 94.16 1.05 4.79 2.34 11.00 80.30 0.21 5.10 0.00 0.73 0.31 53 Y C T 130.00 5.18 14.63 20.79 101.65 25.64 -102.57 0.06 95.37 0.74 3.89 3.57 9.76 81.12 0.16 4.66 0.00 0.52 0.21 54 G C T 45.01 5.44 14.91 21.70 99.54 -121.02 78.51 6.31 93.70 5.13 1.17 38.21 15.43 40.18 0.14 1.10 0.00 4.31 0.61 55 Y C C 105.93 8.14 17.04 26.15 119.97 134.24 -98.59 141.80 61.65 38.23 0.13 54.21 4.90 0.69 0.02 0.13 0.00 39.46 0.59 56 T E E 56.90 15.20 16.01 30.86 127.74 -166.98 -123.66 141.25 9.70 90.28 0.02 8.78 0.60 0.05 0.00 0.01 0.00 90.14 0.41 57 Y E E 69.50 13.25 21.15 34.57 129.59 -173.70 -131.26 142.75 2.29 97.70 0.01 1.95 0.21 0.01 0.00 0.00 0.00 97.57 0.26 58 Y E E 81.88 15.93 19.08 34.19 128.57 -161.16 -122.08 143.22 8.43 91.54 0.03 7.84 0.46 0.04 0.01 0.02 0.00 90.60 1.02 59 A C C 11.74 19.33 13.43 33.11 113.06 -112.71 -72.08 140.50 87.90 11.78 0.33 84.79 2.39 0.36 0.08 0.20 0.00 11.56 0.62 60 D H G 112.05 2.43 18.96 22.06 92.36 -124.66 -61.99 -30.72 47.42 0.61 51.96 2.52 5.91 37.46 2.35 51.17 0.00 0.39 0.20 61 S H G 59.57 7.66 17.81 26.48 90.73 62.60 -69.84 -18.99 46.86 0.26 52.89 0.97 3.58 40.91 1.96 52.32 0.00 0.15 0.10 62 V H G 8.90 22.52 11.08 33.73 98.26 44.28 -102.75 -0.39 47.07 1.33 51.60 3.31 6.12 36.27 2.70 50.28 0.01 0.84 0.47 63 K C T 126.04 6.64 15.21 24.39 110.59 124.08 -59.83 130.70 92.87 2.62 4.51 3.17 4.24 86.05 1.18 2.58 0.00 1.39 1.39 64 G C T 61.88 1.32 18.56 18.98 93.67 14.52 80.67 -2.44 94.85 0.50 4.65 0.92 4.06 90.49 0.54 3.50 0.00 0.35 0.14 65 R C T 85.97 12.55 17.20 29.93 100.42 79.34 -98.66 -20.65 93.96 1.97 4.07 6.80 21.34 65.81 0.50 3.40 0.00 1.92 0.24 66 F E E 9.60 24.22 12.50 36.92 133.32 38.32 -133.85 148.73 14.47 85.36 0.16 11.22 3.08 0.33 0.06 0.12 0.00 83.29 1.89 67 T E E 64.95 6.07 26.50 33.25 127.71 -165.40 -127.54 142.77 2.59 97.40 0.01 2.41 0.12 0.01 0.00 0.00 0.00 97.33 0.13 68 I E E 21.23 24.24 14.27 38.22 122.73 -159.35 -120.14 133.07 2.01 97.98 0.01 1.94 0.05 0.00 0.00 0.00 0.00 97.96 0.04 69 S E E 50.87 5.88 25.85 32.11 129.33 -176.62 -130.54 149.61 3.48 96.51 0.01 3.07 0.20 0.02 0.00 0.00 0.00 96.64 0.06 70 A E E 37.36 19.48 12.93 31.33 123.15 -149.05 -113.12 134.64 7.91 92.04 0.05 6.84 0.93 0.10 0.01 0.03 0.00 91.63 0.46 71 D E E 58.86 6.67 17.61 25.79 109.40 -153.18 -106.10 108.78 32.33 67.55 0.12 30.90 1.15 0.18 0.04 0.08 0.00 65.74 1.90 72 T C T 82.55 8.47 12.58 22.72 93.63 -166.80 -68.60 -24.47 86.50 0.48 13.02 1.56 7.67 74.81 0.27 15.24 0.00 0.32 0.14 73 S C T 93.54 0.84 15.70 15.17 93.03 56.98 -70.47 -32.49 85.64 0.56 13.80 1.01 7.36 75.23 0.29 15.59 0.00 0.33 0.19 74 K C T 110.29 4.82 15.72 21.30 97.84 33.46 -95.47 -4.58 87.74 0.19 12.07 1.90 12.46 70.76 0.24 14.46 0.00 0.11 0.08 75 N C T 59.25 13.35 15.70 29.73 95.52 -129.86 56.69 40.78 99.42 0.25 0.33 7.58 11.36 80.53 0.04 0.25 0.00 0.19 0.04 76 T E E 30.27 11.63 22.05 34.87 134.50 122.10 -133.37 151.52 17.52 82.46 0.02 14.32 2.79 0.14 0.01 0.02 0.00 80.39 2.33 77 A E E 3.11 24.94 18.33 44.01 121.45 -150.82 -114.83 133.37 3.19 96.81 0.00 3.02 0.10 0.01 0.00 0.00 0.00 96.71 0.16 78 Y E E 50.21 12.75 27.02 40.35 123.20 -163.16 -117.25 134.54 2.10 97.90 0.00 1.81 0.08 0.00 0.00 0.00 0.00 98.10 0.01 79 L E E 3.43 25.91 19.69 46.32 119.36 -162.04 -111.20 129.08 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 80 Q E E 57.14 11.16 27.17 38.74 119.13 -162.60 -112.36 127.83 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 81 M E E 8.75 24.41 16.61 41.34 120.64 -168.81 -116.15 130.50 9.78 90.22 0.00 9.99 0.06 0.00 0.00 0.00 0.00 89.40 0.54 82 N C S 69.69 7.54 22.91 30.66 122.33 -156.23 -99.62 151.50 95.93 4.02 0.05 45.29 46.32 3.68 0.00 0.08 0.00 4.46 0.17 83 S C S 60.69 5.68 24.24 30.10 98.73 8.85 59.18 62.08 99.04 0.94 0.03 10.28 85.21 3.61 0.00 0.03 0.00 0.77 0.10 84 L C C 15.12 24.33 11.61 35.81 114.34 -151.52 -74.90 134.88 98.75 1.24 0.01 98.41 0.68 0.01 0.00 0.00 0.00 0.46 0.44 85 R C C 98.78 5.33 25.08 30.58 133.20 -174.26 -127.41 161.31 98.42 1.54 0.04 98.33 0.41 0.01 0.01 0.01 0.00 0.35 0.87 86 A H G 45.39 15.54 16.10 31.26 91.13 -101.84 -59.59 -33.00 3.41 0.02 96.57 0.20 0.22 2.05 0.26 97.24 0.00 0.02 0.00 87 E H G 116.82 4.89 22.47 28.21 90.10 62.91 -70.52 -17.01 2.86 0.03 97.11 0.13 0.18 1.83 0.25 97.59 0.00 0.03 0.00 88 D H G 12.18 21.56 17.46 39.23 94.03 65.12 -84.62 -0.79 4.39 0.06 95.55 0.95 0.48 1.49 0.38 96.66 0.00 0.05 0.00 89 T C C 31.68 17.62 21.98 39.24 115.10 107.94 -80.23 133.15 92.18 7.52 0.30 88.51 3.73 0.17 0.03 0.26 0.00 6.96 0.34 90 A E E 10.59 19.19 23.99 42.47 142.63 154.58 -154.16 170.05 5.11 94.86 0.03 4.86 0.30 0.03 0.01 0.01 0.00 94.15 0.64 91 V E E 24.09 17.84 25.94 43.32 119.25 -107.11 -105.03 132.81 0.85 99.14 0.00 0.82 0.03 0.00 0.00 0.00 0.00 99.12 0.03 92 Y E E 7.35 24.93 22.78 47.45 122.33 -162.95 -111.94 136.33 0.66 99.34 0.01 0.58 0.03 0.00 0.00 0.00 0.00 99.36 0.02 93 Y E E 21.91 20.12 27.58 46.67 130.12 -171.10 -126.11 146.40 2.64 97.26 0.10 2.23 0.22 0.05 0.03 0.03 0.00 97.33 0.11 94 C E E 4.10 24.28 24.19 48.06 126.65 -163.03 -122.54 140.30 13.60 85.64 0.75 10.76 2.08 0.61 0.27 0.33 0.00 85.47 0.48 95 A E E 8.52 19.65 22.91 42.42 121.82 -148.80 -103.78 141.84 24.41 73.73 1.87 20.89 2.88 1.02 0.93 0.87 0.00 71.74 1.66 96 R C E 80.14 13.86 21.59 34.99 107.22 -151.76 -96.18 29.39 53.47 42.97 3.55 35.64 15.44 4.55 1.36 2.09 0.02 38.53 2.36 97 S C C 38.41 10.21 19.23 30.01 126.94 14.39 -124.49 154.89 68.90 20.85 10.26 43.77 18.03 8.53 3.88 5.88 0.06 17.45 2.42 98 R C C 129.61 9.03 16.28 25.85 100.42 -119.64 -80.04 -3.28 63.12 8.48 28.40 24.61 19.38 21.50 9.99 16.54 0.18 5.66 2.14 99 Q C C 102.50 5.81 16.33 23.14 109.40 74.48 -91.83 87.71 59.77 9.20 31.02 23.40 16.27 22.57 10.68 18.33 0.22 6.07 2.45 100 F C C 89.70 10.96 13.95 25.50 113.69 81.77 -98.97 124.00 57.45 13.74 28.82 29.05 14.84 15.69 10.94 16.71 0.19 9.19 3.40 101 W C C 122.60 9.95 13.79 24.42 112.56 -150.60 -97.26 118.73 64.15 16.13 19.72 36.08 14.34 14.95 8.86 10.41 0.16 11.15 4.04 102 Y C C 113.57 8.86 12.87 22.71 113.62 -164.63 -102.48 118.89 68.87 14.52 16.61 33.31 17.10 20.14 7.17 8.59 0.17 8.94 4.59 103 S C T 80.98 3.88 15.19 20.07 103.87 -59.24 -80.60 35.45 85.72 2.51 11.77 17.55 20.36 48.36 3.80 7.31 0.01 1.50 1.11 104 G C T 41.79 6.85 16.37 23.81 108.01 4.97 94.21 -12.92 87.75 3.61 8.64 20.90 25.28 42.47 1.90 6.04 0.01 2.24 1.16 105 L C C 51.83 15.49 14.72 29.92 117.95 82.12 -100.36 134.39 74.30 19.02 6.67 49.33 15.41 9.74 2.02 4.84 0.02 13.44 5.19 106 D C C 51.06 13.43 19.53 32.97 113.20 -149.86 -96.93 123.08 68.91 26.03 5.06 49.52 11.53 7.94 1.52 3.60 0.01 22.35 3.53 107 Y C C 70.22 16.50 20.18 35.74 113.47 -166.55 -99.93 123.09 54.37 40.22 5.41 35.01 11.80 8.83 2.00 3.63 0.06 32.45 6.21 108 W C C 55.51 18.94 19.66 37.23 105.94 45.17 -99.43 37.50 51.43 43.87 4.70 31.70 10.81 10.48 1.93 3.06 0.09 30.86 11.07 109 G C C 19.73 15.08 21.01 35.10 119.20 -148.85 72.75 -157.40 75.05 21.79 3.16 37.22 22.56 16.52 0.68 2.51 0.01 17.62 2.88 110 Q C S 99.43 8.92 23.39 32.14 99.43 -35.79 -84.08 0.27 78.44 18.61 2.95 31.08 31.64 16.39 0.48 2.33 0.01 16.24 1.83 111 G C C 11.65 18.82 19.35 36.89 126.82 -122.02 90.54 173.57 70.63 28.56 0.81 43.68 19.50 6.59 0.10 0.83 0.00 28.30 1.01 112 T E E 21.28 19.30 21.62 40.31 122.92 -94.60 -112.58 138.72 16.70 83.23 0.07 14.71 1.61 0.16 0.02 0.05 0.00 82.89 0.57 113 L E E 59.47 13.37 24.96 37.94 117.18 -141.51 -99.39 129.17 1.64 98.36 0.00 1.48 0.09 0.00 0.00 0.00 0.00 98.35 0.07 114 V E E 7.89 24.11 17.94 42.21 121.54 -167.48 -114.88 130.27 0.68 99.32 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.31 0.02 115 T E E 52.41 8.98 25.73 35.07 119.81 -157.92 -107.61 133.70 1.42 98.58 0.00 1.33 0.05 0.00 0.00 0.00 0.00 98.54 0.08 116 V E E 17.43 22.39 13.71 35.61 119.03 -157.34 -106.43 132.35 15.67 84.29 0.04 14.45 0.86 0.09 0.01 0.03 0.00 83.76 0.81 117 S C C 51.79 7.18 18.39 26.29 126.81 -166.62 -113.22 157.36 62.29 37.61 0.10 59.92 1.27 0.27 0.02 0.07 0.00 37.38 1.05 118 S C C 75.22 5.99 16.38 23.47 108.38 -96.91 -77.36 134.74 99.68 0.31 0.01 99.61 0.14 0.03 0.00 0.00 0.00 0.20 0.01