# 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 96.70 9.40 12.76 22.95 115.48 -158.87 -94.23 130.68 99.91 0.07 0.02 99.86 0.07 0.03 0.01 0.00 0.00 0.03 0.01 1 S C C 67.29 5.91 11.15 18.55 113.68 -139.86 -90.88 135.84 91.82 2.21 5.98 87.37 1.08 4.42 2.86 2.06 0.00 1.07 1.14 2 S C C 79.86 4.23 10.73 16.69 103.43 -148.64 -86.56 20.53 79.77 3.17 17.07 43.97 14.15 22.27 6.50 9.91 0.01 1.62 1.58 3 G C T 51.12 3.90 12.43 17.62 103.82 62.95 -63.43 -21.97 76.94 1.76 21.30 28.00 21.92 28.30 8.17 11.76 0.01 0.79 1.04 4 D C C 100.56 3.73 13.31 18.31 103.96 55.27 -88.07 12.10 72.10 1.62 26.28 39.89 17.65 15.06 15.38 10.28 0.01 0.67 1.07 5 L C H 57.64 12.86 11.07 24.22 113.44 104.10 -86.19 136.15 53.03 0.68 46.29 31.96 15.49 5.78 43.91 2.30 0.01 0.23 0.33 6 P H H 55.20 9.63 13.99 24.79 106.12 -99.06 -67.29 141.09 40.95 0.34 58.71 29.09 3.87 7.03 57.83 1.89 0.00 0.14 0.14 7 S H H 73.16 3.30 16.32 20.25 95.07 44.36 -66.06 -37.57 12.91 0.15 86.94 7.56 2.16 3.81 84.41 1.93 0.00 0.07 0.06 8 A H H 59.44 4.08 17.85 22.44 93.00 52.37 -66.15 -39.91 4.06 0.07 95.87 1.88 0.71 1.66 94.53 1.15 0.00 0.04 0.02 9 T H H 28.75 14.69 15.09 30.09 93.06 49.78 -66.43 -41.48 2.37 0.05 97.58 1.07 0.34 1.02 96.74 0.78 0.01 0.03 0.01 10 L H H 55.14 10.07 16.46 27.67 92.10 51.24 -64.00 -41.13 1.80 0.03 98.17 0.67 0.23 0.85 97.63 0.58 0.01 0.02 0.00 11 S H H 57.02 2.42 19.93 21.44 91.83 50.90 -64.60 -40.77 2.29 0.04 97.67 0.70 0.28 1.23 97.13 0.63 0.01 0.02 0.01 12 M H H 50.81 8.96 15.60 26.31 92.22 51.26 -64.92 -41.02 3.05 0.05 96.91 0.81 0.37 1.79 96.05 0.93 0.01 0.03 0.01 13 I H H 43.19 15.57 12.85 28.34 92.51 50.23 -65.78 -39.28 4.87 0.06 95.07 1.16 0.59 3.07 93.77 1.34 0.02 0.03 0.02 14 Q H H 124.93 3.16 16.34 20.65 92.40 52.52 -68.25 -30.13 13.10 0.08 86.82 1.80 1.55 9.55 85.78 1.23 0.03 0.03 0.04 15 Q C H 131.21 1.55 15.93 16.87 96.19 51.12 -84.77 -7.16 50.25 0.27 49.48 6.41 9.05 33.24 49.56 1.43 0.04 0.08 0.19 16 G C C 39.24 8.72 12.42 22.32 111.32 -124.21 77.19 124.79 95.27 0.52 4.21 44.50 11.21 40.02 2.62 1.16 0.00 0.23 0.25 17 Q C C 87.91 8.16 14.97 24.42 120.85 -136.88 -96.55 145.12 94.73 2.64 2.63 69.45 21.99 2.81 1.90 0.72 0.00 0.77 2.36 18 D C C 70.06 8.06 17.72 26.90 106.87 -114.30 -81.20 114.18 98.88 0.28 0.85 94.73 3.69 0.55 0.66 0.12 0.00 0.11 0.13 19 P H H 27.76 17.57 14.71 32.85 93.36 -166.67 -68.08 -26.54 38.30 0.22 61.48 26.36 3.19 7.82 60.42 2.01 0.00 0.08 0.12 20 K H H 70.53 15.61 16.66 31.59 92.08 64.31 -61.66 -41.27 8.50 0.05 91.45 3.12 1.19 4.20 89.58 1.85 0.01 0.02 0.02 21 E H H 111.51 2.74 21.80 23.97 91.87 50.88 -64.99 -39.63 3.70 0.05 96.25 1.79 0.50 1.47 94.37 1.84 0.00 0.03 0.01 22 L H H 50.11 8.29 18.58 28.24 92.13 50.56 -65.11 -41.37 2.08 0.03 97.88 0.97 0.29 0.88 96.56 1.27 0.00 0.02 0.01 23 V H H 10.66 20.73 15.40 36.20 92.22 49.72 -64.60 -43.64 1.35 0.03 98.62 0.52 0.18 0.67 97.83 0.77 0.00 0.02 0.00 24 L H H 52.66 13.66 17.43 31.17 91.98 50.59 -63.77 -40.94 1.31 0.02 98.67 0.33 0.14 0.79 97.78 0.95 0.00 0.01 0.00 25 Q H H 119.30 1.84 21.70 22.29 92.23 49.34 -66.53 -39.17 3.17 0.01 96.82 0.30 0.21 2.57 95.15 1.73 0.01 0.01 0.00 26 H H H 89.76 7.93 19.06 27.50 95.40 42.27 -77.65 -32.14 12.07 0.02 87.91 0.46 0.61 11.36 85.73 1.80 0.02 0.01 0.01 27 C H H 10.56 20.37 12.62 32.97 97.88 44.23 -91.07 -17.22 39.97 0.14 59.89 4.08 4.85 30.97 56.76 3.09 0.07 0.04 0.14 28 K H G 90.89 12.27 15.86 28.23 94.04 84.03 -60.15 -42.65 26.05 0.23 73.71 9.06 3.96 12.44 18.12 56.19 0.00 0.12 0.10 29 P H G 94.11 2.19 19.11 20.69 91.96 51.83 -66.34 -28.33 18.09 0.07 81.84 1.84 1.59 13.18 17.59 65.73 0.00 0.04 0.03 30 N H G 89.54 6.00 17.55 24.40 95.14 49.14 -88.90 -9.19 16.71 0.13 83.16 2.43 1.95 11.30 17.93 66.28 0.00 0.07 0.04 31 C H C 14.07 20.15 10.31 29.75 99.06 66.39 -91.40 3.04 47.85 2.31 49.84 32.95 7.53 8.55 24.15 24.62 0.02 1.13 1.06 32 L H H 89.43 4.57 18.04 23.55 93.23 96.10 -63.49 -40.20 22.08 0.31 77.61 9.89 5.12 7.68 74.85 2.18 0.01 0.12 0.14 33 H H H 118.70 2.22 20.47 21.65 92.59 51.36 -65.93 -39.25 8.04 0.06 91.89 2.96 1.14 3.91 90.83 1.10 0.01 0.03 0.02 34 W H H 46.06 15.81 15.47 31.43 92.62 51.30 -65.67 -40.93 1.34 0.01 98.64 0.49 0.15 0.63 98.28 0.44 0.00 0.00 0.00 35 E H H 70.84 12.47 17.53 30.09 91.79 52.19 -63.28 -41.50 0.38 0.00 99.62 0.10 0.04 0.18 99.52 0.15 0.00 0.00 0.00 36 Q H H 101.44 1.85 22.07 21.98 91.61 49.77 -64.23 -41.68 0.23 0.00 99.77 0.05 0.02 0.12 99.74 0.07 0.00 0.00 0.00 37 K H H 86.56 6.97 20.32 27.91 92.06 49.19 -65.47 -41.09 0.24 0.00 99.76 0.04 0.01 0.14 99.76 0.04 0.00 0.00 0.00 38 L H H 15.49 19.63 15.06 34.78 91.86 50.85 -64.02 -42.07 0.21 0.00 99.79 0.03 0.01 0.13 99.81 0.03 0.00 0.00 0.00 39 K H H 114.26 3.93 22.50 26.63 91.45 51.40 -63.46 -41.00 0.23 0.00 99.77 0.03 0.01 0.14 99.80 0.02 0.00 0.00 0.00 40 R H H 130.44 2.24 23.15 24.01 91.81 50.00 -64.72 -41.71 0.25 0.00 99.75 0.03 0.01 0.15 99.79 0.03 0.00 0.00 0.00 41 C H H 12.07 16.42 17.01 34.37 91.95 49.83 -64.79 -42.00 0.24 0.00 99.76 0.03 0.01 0.13 99.79 0.03 0.00 0.00 0.00 42 E H H 57.13 12.37 19.02 31.76 91.70 51.97 -62.98 -41.75 0.22 0.00 99.78 0.02 0.01 0.12 99.81 0.03 0.00 0.00 0.00 43 A H H 56.65 1.99 22.61 22.77 91.23 50.42 -63.43 -42.05 0.45 0.00 99.55 0.04 0.02 0.28 99.59 0.07 0.00 0.00 0.00 44 K H H 81.44 7.22 19.89 27.89 92.10 50.17 -65.40 -41.25 1.21 0.00 98.79 0.14 0.07 0.80 98.76 0.22 0.00 0.00 0.00 45 L H H 19.65 18.76 13.91 32.72 92.30 50.63 -64.79 -40.86 2.14 0.01 97.85 0.37 0.16 1.40 97.32 0.74 0.00 0.00 0.00 46 R H H 136.10 3.81 19.22 23.76 91.64 52.28 -64.25 -38.74 8.13 0.04 91.83 0.99 0.62 6.20 90.19 1.95 0.01 0.02 0.01 47 E H H 116.89 1.93 18.94 19.85 92.64 50.80 -67.42 -35.36 22.32 0.08 77.59 2.92 1.73 16.97 75.75 2.53 0.02 0.04 0.04 48 L H H 41.62 13.25 12.17 26.05 94.49 54.09 -71.98 -31.98 37.09 0.47 62.44 19.20 6.04 13.01 55.67 5.59 0.02 0.19 0.27 49 V H H 77.50 9.24 13.17 23.25 94.30 65.20 -66.86 -32.44 48.19 0.61 51.19 14.88 6.35 27.51 44.17 6.41 0.04 0.28 0.35 50 N C T 128.55 1.11 16.01 16.04 97.02 48.75 -84.88 -1.72 62.84 0.46 36.70 15.99 9.03 38.30 30.53 5.63 0.01 0.18 0.31 51 A C C 54.49 8.23 9.49 19.01 109.60 102.02 -81.94 129.96 85.03 0.58 14.39 36.98 35.30 12.62 11.50 2.87 0.00 0.17 0.56 52 D C C 87.35 3.61 14.25 18.81 110.14 -83.59 -96.93 112.40 98.66 0.35 1.00 85.24 12.32 1.10 0.51 0.37 0.00 0.11 0.34 53 P C T 84.56 8.57 10.61 20.60 93.37 -151.96 -64.29 -20.56 63.28 0.22 36.50 7.04 5.76 49.46 9.00 28.47 0.00 0.12 0.15 54 E C T 143.03 2.11 15.33 17.77 95.19 63.11 -81.89 -8.09 61.78 0.34 37.88 5.95 5.71 48.87 10.88 28.16 0.01 0.18 0.23 55 M C C 81.94 9.07 12.58 22.80 107.21 82.54 -83.99 85.93 58.60 1.13 40.28 31.19 14.52 12.81 12.15 28.16 0.00 0.53 0.63 56 S C C 49.12 9.26 16.36 26.29 114.23 98.86 -93.95 144.61 63.73 2.12 34.15 39.85 9.80 13.78 17.16 17.12 0.01 1.00 1.28 57 C C C 37.62 15.71 14.88 30.16 99.70 -70.41 -81.04 -5.62 64.67 1.54 33.79 26.03 15.30 24.03 17.12 15.80 0.04 0.68 0.99 58 M H H 72.30 11.86 17.41 29.33 95.19 90.38 -70.29 -32.63 48.12 1.29 50.59 21.52 13.93 14.25 39.24 9.65 0.09 0.49 0.82 59 Y H H 115.29 4.83 20.48 25.74 92.72 59.21 -63.31 -41.77 12.67 0.10 87.23 4.31 3.19 5.65 84.44 2.29 0.01 0.04 0.05 60 P H H 39.97 11.89 18.94 31.46 92.36 49.55 -65.36 -38.96 7.68 0.07 92.26 2.56 0.96 4.11 90.33 1.97 0.01 0.03 0.03 61 L H H 25.21 19.34 17.55 36.24 92.62 51.90 -65.25 -40.47 2.06 0.02 97.93 0.57 0.24 1.13 96.78 1.26 0.00 0.01 0.00 62 R H H 103.15 8.82 21.67 30.63 91.98 51.80 -64.15 -40.47 0.56 0.00 99.44 0.14 0.05 0.31 99.25 0.26 0.00 0.00 0.00 63 D H H 65.14 7.40 23.01 30.62 92.08 50.33 -65.64 -40.62 0.39 0.00 99.61 0.08 0.03 0.24 99.54 0.11 0.00 0.00 0.00 64 W H H 31.45 19.51 20.17 38.93 91.92 50.27 -64.01 -43.12 0.19 0.00 99.81 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 65 V H H 27.33 16.97 21.46 37.93 91.81 49.29 -64.06 -42.59 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 66 T H H 63.29 4.97 25.03 30.10 91.65 50.67 -64.27 -42.12 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 67 C H H 17.20 13.73 20.91 35.64 91.81 49.81 -63.92 -43.22 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 68 V H H 7.57 23.09 18.82 41.73 91.56 48.57 -63.77 -43.55 0.12 0.00 99.88 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 69 E H H 79.42 11.78 21.34 32.77 91.83 49.83 -64.80 -39.90 0.30 0.00 99.70 0.01 0.01 0.25 99.66 0.07 0.00 0.00 0.00 70 A H H 64.14 3.98 23.36 27.12 95.37 44.14 -74.34 -36.37 2.89 0.00 97.11 0.02 0.05 3.19 96.50 0.23 0.00 0.00 0.00 71 C H H 32.53 13.52 19.37 33.22 102.06 33.42 -95.22 -34.49 26.03 0.00 73.97 0.13 0.39 26.61 72.32 0.53 0.01 0.00 0.00 72 V H H 13.41 20.25 17.02 37.19 101.22 34.56 -96.04 -25.41 26.81 0.04 73.16 0.87 1.77 23.92 72.35 1.00 0.03 0.01 0.04 73 Q H H 63.61 14.04 18.01 31.90 92.64 76.59 -58.41 -44.70 3.35 0.00 96.64 0.68 0.29 1.99 91.49 5.54 0.00 0.00 0.00 74 P H H 76.48 3.64 22.38 25.64 92.19 49.07 -65.48 -38.30 1.85 0.00 98.14 0.23 0.12 1.28 93.21 5.16 0.00 0.00 0.00 75 Q H H 75.44 8.47 20.68 29.48 93.19 47.46 -68.09 -40.65 1.06 0.01 98.93 0.13 0.07 0.73 94.24 4.82 0.00 0.00 0.00 76 I H H 17.31 19.32 16.57 35.87 92.41 48.47 -65.41 -42.94 1.46 0.02 98.52 0.28 0.14 0.96 97.17 1.44 0.00 0.01 0.00 77 I H H 57.17 11.79 18.17 30.34 91.83 49.77 -63.51 -41.80 1.89 0.05 98.06 0.47 0.24 1.17 96.63 1.44 0.00 0.03 0.01 78 S H H 67.78 2.59 20.90 22.92 92.24 50.12 -65.73 -39.70 4.00 0.03 95.97 0.58 0.32 2.94 93.68 2.45 0.01 0.02 0.01 79 Q H H 84.45 7.79 18.89 27.21 93.45 47.23 -70.27 -37.97 8.37 0.04 91.59 0.82 0.65 6.66 89.41 2.40 0.02 0.02 0.02 80 L H H 32.27 16.23 14.46 30.68 96.02 45.60 -76.59 -34.02 18.97 0.36 80.67 4.30 2.91 12.44 77.60 2.32 0.07 0.17 0.18 81 V H H 66.98 8.36 15.73 25.00 95.45 56.76 -68.33 -36.17 34.50 2.76 62.74 12.22 8.09 16.71 57.06 2.96 0.39 1.22 1.35 82 G H H 42.44 3.72 16.26 20.63 97.23 49.95 -60.59 -35.89 47.23 1.39 51.38 18.31 8.52 21.97 42.82 6.91 0.09 0.73 0.64 83 A H H 57.49 6.66 12.74 20.60 98.75 53.46 -73.76 -26.44 47.60 1.75 50.65 17.39 10.62 21.05 38.12 10.93 0.14 0.94 0.82 84 Q C H 106.77 5.82 11.84 18.97 100.27 57.83 -81.97 -5.42 50.17 3.59 46.24 18.79 12.27 20.95 32.51 11.65 0.30 1.87 1.66 85 K C T 143.82 2.93 12.33 16.49 100.47 26.36 -72.32 17.18 69.40 1.85 28.75 15.19 13.56 40.91 18.38 9.84 0.09 0.90 1.14 86 G C T 50.62 4.13 11.60 17.10 100.99 -78.57 78.58 5.65 86.02 1.32 12.65 20.33 17.93 48.58 4.71 7.12 0.00 0.73 0.60 87 R C C 139.51 4.32 10.88 16.98 110.95 128.49 -90.38 116.31 80.77 8.91 10.31 49.33 16.60 15.53 3.27 6.69 0.01 6.09 2.47 88 I C C 104.08 6.48 10.25 18.06 105.46 -146.84 -89.70 28.49 83.91 12.22 3.87 75.46 3.40 5.03 1.75 1.74 0.00 8.31 4.31 89 W C C 135.50 8.51 12.28 21.57 110.83 54.88 -93.84 107.19 99.84 0.15 0.01 99.81 0.06 0.03 0.00 0.00 0.00 0.08 0.01