# 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 M C C 74.91 11.55 13.73 25.72 115.20 -158.04 -96.57 128.39 99.82 0.11 0.07 99.75 0.08 0.05 0.04 0.00 0.00 0.05 0.02 1 F C C 117.50 5.61 13.93 20.64 107.75 -140.31 -82.24 104.48 58.92 17.12 23.96 54.60 1.64 3.35 21.08 2.79 0.00 6.36 10.16 2 L H H 80.10 9.05 11.69 21.56 95.38 126.65 -69.73 -32.78 30.22 2.58 67.20 15.15 5.07 10.86 48.09 18.23 0.09 1.83 0.68 3 T H H 58.86 8.73 11.66 21.56 96.02 57.06 -73.68 -27.07 15.89 1.36 82.76 6.26 2.44 6.80 54.92 28.11 0.04 1.22 0.21 4 A H H 59.25 4.98 13.68 20.02 96.03 55.49 -69.74 -33.10 10.48 1.28 88.25 3.47 1.61 4.91 58.21 30.36 0.03 1.29 0.13 5 L H H 84.10 6.39 12.99 20.72 99.15 55.32 -75.74 -31.19 15.04 2.79 82.17 4.50 2.40 7.72 57.50 24.86 0.11 2.56 0.34 6 L H H 73.55 9.47 11.78 22.22 103.90 56.12 -88.25 29.88 32.39 7.80 59.80 14.19 6.21 14.00 44.15 13.54 0.37 5.58 1.96 7 W C C 139.81 7.10 11.17 19.57 105.43 100.54 -86.33 78.60 59.60 9.29 31.11 35.34 8.58 15.83 26.13 5.18 0.14 5.91 2.89 8 R C C 150.77 3.89 11.15 16.68 112.23 124.94 -95.88 120.23 74.70 7.02 18.28 38.90 14.87 20.65 15.60 3.52 0.08 4.19 2.20 9 G C C 52.97 3.02 12.31 16.38 114.43 -18.03 71.81 -65.63 92.06 3.58 4.36 39.44 32.79 20.47 2.21 1.89 0.00 2.17 1.04 10 R C C 169.46 2.29 12.04 15.67 115.19 -47.24 -95.32 134.56 94.25 4.74 1.02 57.47 32.29 4.81 0.34 0.68 0.00 2.83 1.57 11 I C C 85.19 8.59 8.40 18.13 116.74 -125.82 -88.67 134.58 94.09 5.18 0.73 73.61 18.38 2.18 0.29 0.46 0.00 3.01 2.07 12 P C C 88.38 4.04 11.84 17.32 110.17 -110.03 -70.17 142.42 93.23 3.71 3.06 64.59 15.04 13.48 0.82 2.33 0.00 2.22 1.51 13 G C C 46.14 4.17 11.04 16.69 121.15 41.19 107.80 -171.09 83.05 6.61 10.34 41.59 22.64 19.45 2.81 7.08 0.03 3.26 3.15 14 R C C 162.98 3.00 11.07 15.45 107.42 -45.69 -86.51 97.82 75.59 8.76 15.66 46.43 15.75 13.41 5.43 10.16 0.04 4.83 3.95 15 Q C C 106.78 5.25 9.45 16.32 110.75 155.99 -84.53 126.27 67.39 10.41 22.20 34.30 17.06 17.05 9.15 12.23 0.17 6.15 3.90 16 W C C 171.91 3.34 9.96 14.72 104.25 -127.69 -89.91 15.85 65.00 14.09 20.91 33.60 15.39 16.94 9.37 10.80 0.21 8.72 4.98 17 I C C 105.82 3.33 9.13 14.13 118.92 86.78 -114.15 133.51 66.27 17.77 15.96 30.50 23.37 13.47 8.18 6.82 0.41 8.60 8.65 18 G C T 46.07 2.90 10.55 14.77 116.13 -0.91 76.34 -151.46 70.43 5.45 24.12 17.80 19.39 34.52 3.89 18.96 0.06 3.20 2.20 19 K C T 163.79 1.28 10.29 12.11 95.27 -21.32 -72.38 -19.78 73.31 2.69 24.00 11.45 17.47 44.11 2.87 21.32 0.02 1.65 1.11 20 H C T 138.71 2.24 9.29 12.91 103.29 56.12 -91.84 21.43 69.66 8.91 21.43 19.37 19.81 31.51 2.60 18.13 0.06 5.34 3.18 21 R C C 133.02 4.95 8.56 15.40 114.31 120.39 -86.74 130.24 80.40 16.70 2.90 57.88 16.87 4.87 1.00 2.12 0.00 8.87 8.39 22 R C C 152.48 2.97 10.12 14.96 115.93 -126.14 -88.13 135.74 88.81 10.66 0.53 79.42 8.31 0.74 0.27 0.30 0.00 6.54 4.42 23 P C C 86.72 5.18 9.66 16.73 113.69 -112.31 -68.91 143.83 95.18 4.38 0.44 91.15 3.46 0.73 0.18 0.22 0.00 2.73 1.54 24 R C C 146.93 4.20 10.48 16.55 114.18 -124.96 -86.30 135.57 96.82 2.76 0.42 91.89 4.38 0.61 0.19 0.18 0.00 1.41 1.33 25 F C C 158.04 2.24 12.19 15.82 114.48 -124.92 -88.65 131.98 96.31 3.39 0.30 93.42 2.71 0.28 0.18 0.09 0.00 1.48 1.85 26 V C C 55.30 12.00 6.65 18.70 117.17 -138.71 -90.85 137.82 97.04 2.63 0.33 95.68 1.50 0.14 0.23 0.05 0.00 1.02 1.37 27 S C C 59.36 2.07 13.94 16.13 120.47 -127.91 -81.91 164.43 98.78 0.73 0.49 97.98 0.87 0.14 0.37 0.04 0.00 0.21 0.40 28 L H H 127.49 1.86 11.25 14.19 91.82 -104.01 -59.26 -37.81 3.14 0.01 96.84 0.81 0.59 1.49 96.78 0.31 0.00 0.00 0.00 29 R H H 165.76 0.90 13.82 13.76 91.75 52.52 -64.38 -39.94 1.45 0.00 98.55 0.25 0.16 0.89 98.38 0.31 0.00 0.00 0.00 30 A H H 40.68 5.94 12.30 20.26 92.06 50.04 -65.38 -40.60 0.50 0.00 99.50 0.14 0.05 0.26 99.25 0.31 0.00 0.00 0.00 31 K H H 90.46 6.42 13.84 21.64 91.85 51.23 -63.42 -41.46 0.17 0.00 99.83 0.03 0.01 0.09 99.79 0.08 0.00 0.00 0.00 32 Q H H 98.21 2.03 16.98 18.54 91.58 49.99 -64.17 -41.05 0.15 0.00 99.85 0.02 0.00 0.08 99.87 0.03 0.00 0.00 0.00 33 N H H 77.28 3.07 17.05 20.48 91.78 50.06 -64.74 -40.92 0.19 0.00 99.81 0.02 0.01 0.12 99.84 0.02 0.00 0.00 0.00 34 M H H 61.40 7.61 15.00 24.19 91.87 50.90 -64.26 -41.57 0.14 0.00 99.86 0.02 0.00 0.09 99.88 0.02 0.00 0.00 0.00 35 I H H 82.48 3.86 17.50 22.00 91.70 50.08 -63.55 -42.13 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 36 R H H 132.86 2.18 18.17 19.96 91.83 49.83 -64.04 -41.67 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 37 R H H 111.89 5.51 17.12 23.43 91.90 50.35 -64.38 -40.86 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 38 L H H 74.72 5.77 16.81 23.57 91.86 50.69 -64.28 -40.99 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 39 E H H 100.78 2.88 18.97 21.66 91.79 50.64 -64.01 -41.08 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 40 I H H 70.41 5.40 17.84 24.22 91.92 49.58 -64.55 -42.37 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 41 E H H 68.83 8.08 17.15 26.28 91.89 50.16 -64.12 -41.61 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 42 A H H 47.53 4.00 18.34 23.06 91.54 50.51 -63.54 -41.55 0.18 0.00 99.82 0.01 0.01 0.12 99.84 0.01 0.00 0.00 0.00 43 E H H 97.78 3.17 19.29 22.37 91.71 50.09 -64.65 -40.99 0.49 0.00 99.51 0.03 0.02 0.36 99.56 0.03 0.00 0.00 0.00 44 N H H 49.62 9.38 15.89 26.37 91.97 50.96 -64.36 -41.44 0.70 0.00 99.30 0.08 0.04 0.46 99.30 0.11 0.00 0.00 0.00 45 H H H 91.25 6.16 16.99 24.00 91.79 51.14 -63.77 -40.71 0.62 0.00 99.38 0.06 0.03 0.47 98.75 0.69 0.00 0.00 0.00 46 Y H H 133.74 2.41 17.73 19.91 91.94 50.61 -64.82 -40.41 1.07 0.00 98.93 0.07 0.05 0.92 97.25 1.71 0.00 0.00 0.00 47 W H H 112.75 6.33 15.24 22.79 92.45 49.75 -65.20 -39.88 1.83 0.00 98.16 0.09 0.08 1.62 95.77 2.43 0.00 0.00 0.00 48 L H H 74.28 9.18 13.25 23.22 93.03 51.46 -74.00 -23.26 13.02 0.02 86.96 0.47 0.56 11.98 84.73 2.23 0.01 0.01 0.01 49 S C T 72.38 3.73 14.94 19.55 94.24 59.03 -82.25 -10.30 58.52 0.12 41.37 2.61 4.35 49.95 40.33 2.60 0.02 0.04 0.10 50 M C S 91.30 6.05 11.05 18.96 113.89 87.06 -95.92 121.09 93.97 0.74 5.29 26.37 59.34 8.47 2.46 2.34 0.00 0.24 0.77 51 P C T 94.72 4.21 12.06 17.94 99.61 -147.26 -69.62 -8.51 91.04 0.29 8.68 10.76 12.73 67.39 1.58 7.19 0.00 0.15 0.20 52 Y C T 158.45 3.42 12.53 17.16 101.78 65.59 -89.13 29.78 90.38 0.87 8.75 15.82 10.94 63.62 1.88 6.79 0.00 0.48 0.47 53 M C C 67.74 11.15 7.79 19.51 118.12 112.44 -89.90 136.98 90.22 5.91 3.86 65.17 22.37 1.91 2.34 1.47 0.00 1.79 4.95 54 T C C 66.93 3.07 13.98 17.93 121.24 -132.47 -84.37 163.57 96.25 1.91 1.84 91.60 4.03 0.57 1.71 0.24 0.00 0.71 1.15 55 R H H 162.72 2.76 11.62 16.07 91.83 -105.81 -58.72 -37.67 10.23 0.08 89.69 1.73 1.80 6.71 82.77 6.88 0.04 0.04 0.04 56 E H H 129.49 1.58 13.25 15.05 92.10 54.64 -65.13 -38.32 8.80 0.07 91.13 1.28 1.08 6.08 82.60 8.87 0.03 0.04 0.02 57 Q H H 88.83 5.10 11.80 18.47 92.84 49.28 -70.35 -34.26 7.56 0.09 92.35 1.54 1.02 4.66 83.22 9.46 0.02 0.06 0.03 58 E H H 84.71 7.04 10.93 19.60 94.58 53.96 -73.21 -26.90 15.33 0.25 84.42 3.96 2.64 9.15 78.07 5.88 0.05 0.13 0.11 59 R C H 147.57 2.75 13.48 17.03 99.71 60.54 -78.16 -10.85 54.51 0.35 45.13 4.47 5.96 42.93 43.60 2.60 0.08 0.15 0.23 60 G C T 39.62 3.90 13.31 18.30 102.77 44.17 -36.07 -32.23 58.64 0.26 41.10 8.74 7.00 41.37 40.13 2.48 0.02 0.09 0.17 61 H H H 107.41 3.21 12.90 17.18 93.64 64.31 -64.99 -39.19 16.49 0.18 83.33 7.43 3.03 6.93 78.77 3.67 0.02 0.09 0.08 62 A H H 56.10 3.13 13.71 17.87 92.81 51.57 -65.62 -39.33 9.89 0.16 89.95 4.22 1.61 4.65 85.41 3.96 0.02 0.10 0.05 63 A H H 52.83 3.19 13.25 17.73 92.51 51.73 -65.19 -40.03 7.35 0.16 92.50 3.39 1.25 3.24 87.69 4.27 0.01 0.10 0.04 64 V H H 78.92 2.80 13.67 17.35 92.70 51.03 -65.48 -40.72 7.90 0.13 91.97 3.46 1.32 3.49 88.59 3.02 0.01 0.07 0.04 65 R H H 144.02 1.82 14.16 16.02 92.55 50.45 -65.92 -39.19 12.25 0.12 87.64 4.92 1.78 5.58 85.42 2.19 0.01 0.06 0.05 66 R H H 137.45 2.25 13.71 16.39 93.42 50.70 -67.35 -37.81 17.15 0.12 82.73 7.99 2.01 6.98 81.31 1.61 0.00 0.05 0.05 67 R H H 133.14 2.87 13.59 17.43 92.84 53.87 -64.79 -40.86 6.92 0.05 93.03 3.85 0.88 2.08 92.43 0.72 0.00 0.02 0.01 68 E H H 116.70 1.61 15.17 16.32 92.55 50.61 -65.47 -40.37 2.47 0.01 97.51 1.03 0.30 1.00 97.19 0.47 0.00 0.01 0.00 69 A H H 58.08 2.41 14.82 17.59 92.28 50.27 -64.76 -40.61 1.60 0.01 98.39 0.52 0.17 0.76 98.15 0.40 0.00 0.00 0.00 70 F H H 99.90 3.91 13.94 19.02 92.41 50.17 -64.88 -41.34 0.80 0.00 99.19 0.22 0.09 0.40 99.06 0.23 0.00 0.00 0.00 71 E H H 105.09 2.32 15.49 17.99 91.98 50.44 -64.59 -40.94 0.43 0.00 99.57 0.10 0.04 0.21 99.55 0.10 0.00 0.00 0.00 72 A H H 60.33 1.89 15.82 17.35 91.93 50.27 -64.25 -40.79 0.40 0.00 99.60 0.07 0.03 0.22 99.60 0.08 0.00 0.00 0.00 73 I H H 88.94 3.13 15.15 18.89 92.13 49.34 -64.85 -41.78 0.35 0.00 99.64 0.06 0.03 0.20 99.63 0.08 0.00 0.00 0.00 74 K H H 108.07 3.89 14.89 19.88 91.83 50.16 -63.88 -40.93 0.43 0.00 99.57 0.06 0.03 0.26 99.54 0.10 0.00 0.00 0.00 75 A H H 59.78 2.10 15.77 17.75 91.90 50.49 -64.06 -41.01 0.68 0.00 99.32 0.08 0.05 0.44 99.26 0.17 0.00 0.00 0.00 76 A H H 58.46 2.04 15.62 17.48 92.02 50.08 -64.69 -40.33 1.67 0.00 98.33 0.18 0.12 1.17 98.10 0.42 0.00 0.00 0.00 77 A H H 45.69 5.86 12.61 20.17 92.48 50.46 -66.06 -38.95 5.08 0.01 94.91 0.63 0.42 3.67 94.12 1.15 0.00 0.00 0.00 78 T H H 77.42 5.17 12.56 19.22 92.83 51.38 -68.02 -33.87 11.28 0.04 88.68 1.68 1.12 8.04 83.37 5.73 0.02 0.02 0.02 79 S H H 88.47 1.11 14.15 14.65 92.63 57.00 -70.70 -22.42 39.76 0.09 60.15 2.94 2.87 32.95 53.36 7.74 0.03 0.04 0.07 80 K C T 148.78 1.69 13.14 15.01 96.73 50.85 -90.94 -5.77 63.20 0.15 36.65 7.03 6.09 49.61 28.86 8.19 0.01 0.06 0.15 81 F C S 79.56 11.30 6.89 18.55 118.01 98.46 -83.30 141.32 99.59 0.25 0.17 26.13 73.21 0.29 0.11 0.03 0.00 0.05 0.18 82 P C C 76.73 3.61 12.45 17.59 115.76 -107.83 -67.04 150.86 99.79 0.13 0.08 98.46 1.16 0.22 0.03 0.03 0.00 0.04 0.07 83 P C C 107.14 2.56 12.96 16.84 104.22 -102.46 -66.35 144.10 98.46 0.35 1.19 33.20 32.91 32.41 0.24 0.89 0.00 0.17 0.18 84 H C C 123.61 5.80 10.65 18.05 115.48 -72.01 -95.77 128.98 90.11 8.10 1.79 40.21 18.24 32.43 0.43 1.30 0.00 5.65 1.73 85 R C C 108.54 7.03 12.38 21.24 124.50 -172.60 -120.37 141.01 75.41 23.38 1.21 62.65 11.64 1.00 0.70 0.68 0.00 15.43 7.90 86 F E C 95.54 5.13 14.99 21.44 120.60 -131.53 -88.32 155.52 43.67 55.80 0.54 41.26 1.50 0.12 0.53 0.11 0.00 16.36 40.12 87 I H H 74.07 10.14 11.68 23.08 92.11 -116.29 -59.98 -38.81 5.45 0.10 94.46 1.07 0.73 3.40 80.50 14.20 0.01 0.07 0.02 88 A H H 59.09 4.40 13.87 19.59 91.66 55.69 -62.76 -39.17 2.21 0.02 97.77 0.21 0.17 1.65 81.50 16.45 0.00 0.01 0.00 89 D H H 83.74 2.22 15.07 17.50 92.00 50.97 -66.69 -37.01 1.34 0.01 98.66 0.11 0.09 1.01 80.64 18.14 0.00 0.01 0.00 90 Q H H 76.35 7.50 12.05 21.00 93.14 50.50 -70.35 -33.73 4.45 0.02 95.54 0.40 0.35 3.23 82.16 13.85 0.00 0.01 0.00 91 L H H 71.59 9.01 10.25 20.31 93.75 56.78 -74.15 -19.51 21.53 0.24 78.23 3.46 2.23 13.89 57.35 22.76 0.05 0.13 0.13 92 D C T 109.14 2.00 12.87 15.93 91.78 71.95 -66.63 -22.13 51.18 0.24 48.58 3.23 3.17 43.20 31.00 19.04 0.04 0.13 0.19 93 H C T 134.76 2.26 12.46 15.55 97.25 54.09 -91.25 -1.63 60.01 0.43 39.56 5.78 4.59 48.55 21.03 19.50 0.03 0.23 0.29 94 L C C 76.64 9.77 7.85 18.46 111.29 99.87 -77.71 130.08 70.83 7.54 21.63 43.76 16.72 10.38 14.50 7.11 0.09 3.52 3.92 95 N C C 106.88 2.78 12.39 16.35 109.91 -150.60 -95.42 106.39 76.68 10.67 12.64 60.30 6.32 8.93 9.35 3.91 0.01 6.41 4.77 96 V C C 90.49 6.66 8.65 16.75 103.32 175.93 -93.79 4.53 78.55 7.90 13.55 48.38 14.32 15.65 9.06 4.90 0.02 4.78 2.88 97 T C C 108.47 1.47 10.60 12.73 101.83 80.80 -91.24 -6.11 83.34 5.01 11.66 42.99 22.25 18.36 6.97 4.65 0.01 3.18 1.60 98 K C C 137.02 2.74 8.61 13.25 114.27 95.64 -89.38 134.23 88.08 3.29 8.64 50.51 28.51 9.61 3.81 4.42 0.00 2.01 1.13 99 K C C 153.80 2.20 8.88 12.77 114.76 -148.22 -91.86 133.57 88.03 4.42 7.55 66.39 12.15 9.48 2.98 4.41 0.00 2.92 1.66 100 W C C 173.89 4.01 6.53 12.31 109.26 -142.30 -90.52 109.24 92.89 3.09 4.02 84.23 2.09 7.24 1.73 1.59 0.00 1.75 1.38 101 S C C 87.79 1.72 10.72 13.52 109.03 -140.30 -88.88 125.59 99.87 0.10 0.03 99.74 0.11 0.07 0.01 0.00 0.00 0.05 0.01