# 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 A C C 59.50 9.21 13.99 23.90 113.65 -135.85 -86.09 136.24 99.82 0.11 0.07 99.69 0.12 0.08 0.04 0.00 0.00 0.05 0.02 1 K C C 125.85 5.86 13.67 21.10 114.37 -138.24 -92.29 134.12 84.76 4.66 10.57 80.33 1.73 3.03 8.78 1.55 0.00 2.60 1.97 2 T C C 68.66 7.64 13.01 21.93 118.18 -140.87 -93.09 148.14 71.11 7.81 21.08 56.30 8.33 5.73 17.30 4.64 0.01 4.75 2.94 3 R C C 117.78 9.17 14.28 24.25 96.07 -125.69 -68.62 -23.88 50.77 7.36 41.87 31.21 10.52 10.50 30.56 10.06 0.12 4.92 2.11 4 S C H 42.29 12.01 13.04 25.42 96.39 65.93 -71.87 -31.81 47.38 7.39 45.23 27.97 9.50 11.40 32.18 11.76 0.12 5.11 1.97 5 S C H 64.57 6.58 15.08 22.66 94.93 57.79 -71.52 -27.89 47.00 6.69 46.30 26.48 9.53 12.30 32.24 12.91 0.13 4.49 1.92 6 R C H 136.00 6.26 15.60 22.92 94.96 61.62 -74.14 -20.85 49.73 6.13 44.13 19.46 12.49 19.71 30.27 11.68 0.42 3.77 2.19 7 A C T 39.20 13.33 14.09 27.50 97.11 56.38 -83.38 -2.05 69.48 2.34 28.18 12.52 13.86 42.50 18.25 10.16 0.14 1.32 1.26 8 G C T 46.20 4.97 19.98 25.49 98.30 -104.26 83.30 7.32 88.75 2.66 8.59 22.42 18.09 49.00 3.46 4.49 0.01 1.69 0.84 9 L C C 29.01 19.53 12.24 31.28 116.76 129.36 -92.33 132.48 80.88 14.22 4.91 64.40 10.12 5.71 2.29 2.71 0.00 9.77 5.00 10 Q C C 109.88 5.98 22.10 28.76 114.25 -160.03 -102.99 121.01 78.08 18.50 3.42 57.21 16.46 3.88 2.22 1.55 0.01 12.77 5.89 11 F C C 30.82 20.85 14.42 34.58 120.36 -159.57 -110.87 131.62 87.05 11.55 1.40 63.12 23.32 1.16 1.27 0.40 0.00 8.58 2.16 12 P C C 52.99 8.05 23.24 31.81 110.79 -114.06 -68.04 139.73 89.15 8.08 2.76 85.64 2.49 1.20 2.40 0.50 0.00 5.59 2.19 13 V H H 40.06 19.61 15.76 34.20 94.33 -126.65 -62.14 -36.00 19.63 0.43 79.94 8.69 3.68 8.30 76.88 2.02 0.03 0.20 0.20 14 G H H 32.98 6.08 21.45 28.04 92.71 55.98 -61.43 -41.24 9.49 0.16 90.35 2.68 1.50 5.62 88.27 1.76 0.03 0.08 0.06 15 R H H 99.79 7.82 22.49 30.41 92.31 50.41 -66.71 -39.42 3.45 0.13 96.42 1.47 0.57 1.64 94.70 1.49 0.01 0.09 0.03 16 V H H 4.21 24.37 16.76 41.25 91.83 51.22 -63.88 -43.67 1.55 0.08 98.37 0.65 0.23 0.75 97.61 0.69 0.01 0.05 0.01 17 H H H 54.62 14.53 20.59 34.79 91.52 51.27 -62.72 -42.02 1.28 0.05 98.67 0.45 0.16 0.67 98.14 0.52 0.01 0.04 0.01 18 R H H 122.61 2.69 24.11 25.75 91.56 50.71 -63.94 -42.15 1.52 0.06 98.42 0.39 0.19 0.93 97.91 0.53 0.01 0.04 0.01 19 L H H 25.24 12.70 18.46 32.51 91.98 49.74 -64.49 -42.01 1.99 0.09 97.92 0.52 0.27 1.25 97.16 0.71 0.02 0.05 0.02 20 L H H 14.76 21.09 13.89 34.66 92.17 50.12 -65.43 -40.06 3.59 0.11 96.29 0.80 0.40 2.46 94.85 1.38 0.03 0.07 0.02 21 R H H 143.12 5.09 17.80 24.12 92.08 52.06 -66.70 -32.67 11.26 0.13 88.62 0.96 0.88 9.52 87.14 1.32 0.07 0.06 0.06 22 K C T 140.29 2.05 17.28 19.07 94.74 48.79 -84.73 -8.78 59.57 0.19 40.24 1.53 3.54 52.78 40.17 1.72 0.04 0.07 0.15 23 G C T 39.15 8.60 14.68 23.98 102.56 -98.00 82.79 11.68 93.30 0.21 6.49 4.87 10.56 77.71 5.36 1.25 0.00 0.10 0.16 24 N C C 79.95 6.46 17.27 24.73 101.04 129.25 -89.40 50.13 83.55 0.97 15.48 47.13 19.93 16.72 10.55 4.61 0.00 0.39 0.67 25 Y H H 36.73 18.15 13.66 31.54 95.79 129.62 -76.33 -22.51 42.62 1.66 55.72 22.12 8.31 13.77 40.23 13.80 0.10 0.83 0.84 26 A H H 34.01 14.72 13.78 28.63 92.44 70.13 -62.91 -32.38 19.65 0.82 79.52 5.95 3.40 9.88 54.85 25.05 0.10 0.51 0.27 27 E H H 147.60 1.38 19.76 20.18 92.27 55.42 -70.61 -27.68 18.40 0.61 80.99 3.41 2.79 11.23 57.02 24.81 0.16 0.37 0.21 28 R H H 124.43 7.09 17.54 25.27 97.28 47.58 -83.14 -28.25 23.88 0.73 75.38 3.83 4.44 15.70 57.54 17.42 0.33 0.39 0.36 29 V H H 32.72 18.29 11.73 28.95 104.67 40.95 -101.76 -11.93 44.89 6.09 49.02 13.78 20.18 14.67 41.11 3.67 0.46 1.41 4.71 30 G C C 34.99 4.69 18.72 24.24 123.68 -131.67 83.37 -170.21 68.73 1.36 29.91 45.79 7.44 13.78 5.96 25.54 0.00 0.65 0.85 31 A C T 85.94 3.65 16.67 21.65 95.07 -41.49 -67.00 -16.25 64.87 0.31 34.82 1.69 5.74 57.20 4.08 30.85 0.01 0.16 0.29 32 G C T 32.74 9.07 18.50 28.25 94.21 53.19 -76.12 -7.52 61.64 0.17 38.19 4.27 4.39 52.40 7.19 31.50 0.01 0.09 0.16 33 A H H 11.41 19.13 16.61 36.21 93.03 99.81 -61.23 -41.52 5.58 0.02 94.40 3.68 0.99 1.18 93.32 0.82 0.00 0.00 0.01 34 P H H 31.10 18.07 20.45 37.60 91.86 53.19 -63.59 -39.59 1.15 0.01 98.85 0.32 0.10 0.59 98.50 0.48 0.00 0.00 0.00 35 V H H 67.99 7.98 25.46 33.61 91.83 50.36 -64.83 -41.67 0.23 0.00 99.77 0.05 0.02 0.12 99.56 0.25 0.00 0.00 0.00 36 Y H H 66.39 13.39 24.99 37.99 91.79 49.20 -64.88 -42.49 0.12 0.00 99.88 0.02 0.01 0.06 99.83 0.08 0.00 0.00 0.00 37 L H H 8.65 23.77 22.66 45.73 91.54 49.56 -64.35 -42.69 0.12 0.00 99.88 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 38 A H H 19.25 16.28 23.74 39.77 91.24 51.40 -62.78 -41.93 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 39 A H H 38.16 7.10 26.40 34.47 91.31 50.68 -63.72 -42.22 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 40 V H H 16.80 18.43 23.63 41.71 91.64 49.77 -64.46 -42.93 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 41 L H H 9.90 23.37 21.76 44.48 91.28 50.80 -63.53 -41.94 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 42 E H H 86.12 10.08 24.85 34.92 91.35 51.51 -63.07 -41.38 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 43 Y H H 92.53 8.50 25.37 34.06 91.77 49.12 -65.09 -41.71 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 44 L H H 14.20 20.54 21.81 41.94 91.31 49.32 -65.14 -42.48 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 45 T H H 21.18 19.04 21.65 39.89 91.57 51.11 -63.44 -41.79 0.34 0.00 99.66 0.04 0.01 0.22 99.69 0.04 0.00 0.00 0.00 46 A H H 44.04 6.34 24.34 31.20 91.42 51.68 -63.72 -41.48 0.31 0.00 99.69 0.03 0.01 0.21 99.67 0.08 0.00 0.00 0.00 47 E H H 68.55 9.53 24.36 34.09 91.69 49.64 -65.27 -41.22 0.44 0.00 99.56 0.05 0.02 0.30 99.50 0.12 0.00 0.00 0.00 48 I H H 7.70 23.31 19.72 42.89 91.35 50.00 -64.01 -43.23 0.51 0.00 99.49 0.08 0.03 0.32 99.40 0.16 0.00 0.00 0.00 49 L H H 45.98 15.11 21.59 36.18 91.52 50.59 -63.31 -41.56 0.88 0.01 99.11 0.15 0.06 0.56 98.87 0.35 0.00 0.01 0.00 50 E H H 113.55 3.20 25.37 28.35 91.65 50.32 -64.53 -40.70 3.13 0.02 96.85 0.40 0.22 2.32 96.29 0.74 0.01 0.01 0.00 51 L H H 40.83 13.38 21.18 34.73 92.30 48.66 -66.97 -39.11 7.54 0.06 92.40 0.92 0.65 5.73 91.60 1.02 0.02 0.03 0.02 52 A H H 12.92 19.74 17.26 36.58 92.83 51.35 -69.13 -34.34 19.94 0.31 79.74 4.23 2.86 13.10 77.46 2.00 0.07 0.13 0.16 53 G H H 29.61 9.86 20.22 30.15 97.85 60.98 -54.24 -40.98 38.90 0.97 60.13 10.64 5.98 23.48 53.21 5.62 0.11 0.50 0.46 54 N H H 95.18 4.68 21.08 25.88 97.14 41.86 -77.54 -18.90 41.55 2.18 56.27 13.45 8.07 21.53 45.63 8.94 0.18 1.45 0.75 55 A H H 35.52 11.03 15.90 27.87 96.79 66.70 -74.54 -24.98 40.87 5.60 53.54 18.30 8.20 16.33 41.61 10.00 0.20 4.06 1.30 56 A C H 34.82 12.77 12.78 26.06 100.82 67.73 -79.62 -8.20 46.68 8.54 44.77 25.44 8.44 14.88 34.86 8.12 0.17 6.03 2.05 57 R C H 146.36 4.27 14.37 19.89 102.65 81.45 -82.15 -2.75 55.59 8.55 35.86 24.95 12.07 19.90 28.26 6.47 0.43 5.47 2.44 58 D C T 102.91 3.25 13.18 17.45 103.32 48.02 -86.02 33.30 73.98 3.10 22.92 27.19 17.63 29.59 17.25 5.36 0.06 1.78 1.14 59 N C T 101.24 5.36 11.47 18.28 101.99 27.69 -81.28 39.51 82.73 1.03 16.24 27.32 20.50 35.27 9.97 5.87 0.01 0.47 0.59 60 K C C 141.27 3.81 12.91 18.00 99.59 117.27 -78.66 5.21 78.01 2.07 19.92 30.31 22.26 25.99 11.58 7.82 0.02 1.02 1.01 61 K C C 116.08 6.46 14.18 21.83 108.77 91.13 -90.71 91.61 71.57 6.49 21.94 41.04 16.87 13.86 13.69 8.33 0.04 3.99 2.18 62 T C C 61.63 11.55 14.52 26.43 110.71 151.20 -95.64 108.60 69.45 10.01 20.53 48.73 11.91 8.35 13.98 7.19 0.02 7.55 2.25 63 R C C 110.96 9.64 20.59 30.17 115.83 92.70 -99.69 133.59 65.02 16.13 18.85 41.02 16.77 7.24 13.62 5.80 0.05 12.34 3.16 64 I C C 22.04 21.74 15.08 36.27 113.03 -130.70 -91.65 121.88 63.38 22.36 14.26 47.41 11.87 3.26 11.69 3.36 0.03 12.66 9.71 65 I C C 53.07 10.56 22.19 33.10 118.71 -156.08 -91.95 146.32 84.82 2.19 12.99 78.11 4.78 1.08 13.76 0.56 0.00 1.24 0.49 66 P H H 50.89 14.42 16.76 31.12 92.97 -116.04 -58.26 -38.24 8.68 0.20 91.12 3.79 1.19 3.99 88.91 1.94 0.01 0.12 0.05 67 R H H 137.38 3.82 22.69 26.72 91.92 53.20 -64.22 -38.19 4.36 0.07 95.58 1.14 0.48 2.67 93.46 2.18 0.01 0.04 0.01 68 H H H 44.14 15.58 20.26 35.45 92.32 49.74 -66.29 -40.47 2.07 0.05 97.88 0.73 0.25 1.08 95.59 2.30 0.00 0.03 0.01 69 L H H 6.35 24.14 17.93 42.00 91.57 51.04 -64.01 -42.51 1.25 0.03 98.72 0.49 0.15 0.60 97.90 0.84 0.00 0.02 0.00 70 Q H H 75.56 9.61 23.77 33.45 91.48 51.48 -63.24 -41.62 1.34 0.03 98.63 0.37 0.14 0.78 98.11 0.58 0.00 0.02 0.00 71 L H H 50.41 6.67 23.81 31.29 91.54 50.34 -63.85 -42.32 1.46 0.03 98.51 0.32 0.16 0.92 97.88 0.68 0.00 0.02 0.00 72 A H H 6.43 18.67 17.54 37.12 91.56 50.81 -63.95 -41.65 2.11 0.04 97.85 0.55 0.23 1.25 97.03 0.89 0.00 0.03 0.01 73 V H H 28.05 17.71 17.86 35.08 92.83 48.03 -67.59 -37.77 4.54 0.06 95.40 0.62 0.42 3.39 94.08 1.42 0.02 0.03 0.02 74 R H H 145.67 3.64 20.78 24.67 92.77 49.93 -70.78 -30.55 14.50 0.06 85.44 0.72 1.08 12.60 84.34 1.14 0.05 0.02 0.03 75 N C T 84.49 5.90 17.41 23.94 102.95 27.12 -111.50 22.90 70.24 0.24 29.51 17.73 7.14 43.66 29.71 1.50 0.01 0.09 0.16 76 D H H 56.42 16.03 11.57 26.45 97.83 157.46 -63.78 1.27 26.91 0.22 72.87 21.34 2.93 3.82 68.90 2.82 0.00 0.08 0.11 77 E H H 132.65 1.95 19.01 20.66 93.30 78.03 -65.13 -39.76 5.11 0.05 94.84 1.15 0.64 3.25 91.22 3.68 0.01 0.02 0.01 78 E H H 86.20 5.88 18.90 25.53 92.22 49.99 -65.91 -40.46 2.98 0.06 96.95 0.86 0.32 1.81 93.52 3.42 0.01 0.05 0.01 79 L H H 7.04 22.62 12.47 35.17 91.54 50.82 -63.81 -42.19 1.95 0.05 98.00 0.60 0.25 1.09 95.50 2.51 0.01 0.04 0.01 80 N H H 63.72 11.45 17.28 29.15 91.13 53.10 -63.59 -37.96 2.72 0.05 97.22 0.64 0.27 1.76 94.67 2.61 0.01 0.04 0.01 81 K H H 141.33 1.60 21.90 22.30 92.06 52.72 -66.13 -38.31 4.46 0.05 95.49 0.40 0.32 3.80 92.17 3.25 0.02 0.03 0.01 82 L H H 43.34 14.57 17.63 32.10 94.65 45.25 -71.89 -38.33 6.71 0.08 93.21 0.39 0.55 5.99 91.00 1.93 0.05 0.04 0.03 83 L H H 18.50 21.01 14.43 34.80 98.47 37.86 -92.41 -14.78 26.85 1.11 72.04 4.84 5.19 18.54 67.93 2.19 0.25 0.46 0.61 84 G C T 38.36 5.19 20.03 26.04 108.60 -143.48 68.78 -116.96 80.46 2.70 16.84 18.97 17.36 44.26 11.03 5.72 0.04 1.69 0.93 85 R C T 148.17 4.42 20.32 25.43 118.72 -1.06 -102.99 131.19 72.18 10.93 16.89 23.76 17.53 32.36 8.97 7.06 0.12 8.52 1.67 86 V C C 32.01 20.24 12.46 31.74 119.04 -166.84 -106.70 131.17 68.59 20.80 10.61 57.25 7.52 3.02 7.58 3.53 0.02 18.56 2.50 87 T C C 69.80 6.74 22.68 29.84 119.03 -164.76 -108.76 131.12 46.96 44.00 9.04 40.41 3.20 1.87 7.24 2.46 0.02 39.73 5.08 88 I E E 47.12 18.42 14.37 31.78 111.97 -161.99 -95.42 112.09 38.73 44.46 16.81 29.82 4.89 3.65 12.15 5.67 0.09 39.27 4.47 89 A C C 52.38 9.60 16.16 26.15 105.47 111.48 -77.11 -23.66 44.95 28.02 27.03 26.08 8.96 12.35 10.19 15.39 0.15 24.22 2.65 90 Q C T 129.86 3.65 17.25 21.44 102.77 15.94 -86.44 35.80 55.40 15.04 29.55 14.08 12.46 31.42 7.86 19.56 0.36 11.53 2.74 91 G C T 42.16 7.63 16.71 24.86 105.43 -42.12 83.90 2.22 72.79 4.95 22.26 14.36 16.53 42.81 4.62 16.69 0.05 3.38 1.55 92 G C C 26.72 12.56 16.87 29.28 117.49 58.58 94.74 165.43 77.11 16.08 6.81 30.13 22.99 25.83 1.83 4.50 0.03 12.11 2.58 93 V C C 53.35 14.60 17.63 31.98 121.31 -99.25 -109.14 136.13 56.76 39.20 4.04 37.25 14.66 3.75 2.58 1.92 0.10 19.80 19.94 94 L C C 33.74 17.84 15.02 32.72 111.63 -129.07 -88.54 119.92 83.70 11.90 4.40 71.98 8.93 2.34 3.13 1.52 0.00 9.14 2.95 95 P C T 75.97 7.08 18.30 26.22 104.58 -129.28 -64.58 139.39 74.16 5.42 20.42 16.70 10.50 46.70 14.32 6.33 0.11 4.02 1.32 96 N C T 98.09 5.24 19.30 25.21 95.75 23.26 50.53 27.28 75.94 1.98 22.07 20.64 7.84 47.37 16.18 5.96 0.03 1.23 0.75 97 I H H 16.44 21.73 13.02 34.30 93.98 122.79 -67.01 -37.36 23.33 1.45 75.22 13.16 3.57 7.66 56.21 17.95 0.04 1.01 0.39 98 Q H H 79.99 13.68 16.12 29.42 92.08 63.09 -62.45 -37.21 10.15 0.83 89.01 3.18 1.50 5.14 64.25 25.09 0.03 0.68 0.13 99 S H H 73.69 2.92 19.01 22.22 91.96 56.05 -68.96 -26.62 8.16 0.42 91.42 1.75 1.00 4.70 63.70 28.43 0.03 0.35 0.06 100 V H H 57.91 11.13 16.50 28.11 95.03 51.03 -77.85 -27.33 15.10 0.63 84.27 2.34 1.90 9.85 62.01 23.21 0.10 0.45 0.15 101 L H H 38.38 17.87 14.14 31.17 98.79 46.76 -90.77 -18.96 38.93 2.75 58.32 6.95 8.69 24.89 43.05 12.75 0.78 1.49 1.39 102 L C S 60.29 12.48 12.48 25.68 116.10 82.30 -95.61 127.82 96.81 2.37 0.82 26.74 68.85 1.56 0.55 0.24 0.00 1.13 0.93 103 P C C 77.05 6.66 11.81 20.24 112.97 -118.13 -67.29 147.11 97.13 2.23 0.64 94.35 1.10 1.96 0.26 0.23 0.00 1.32 0.78 104 K C C 156.14 2.74 13.45 17.95 109.42 -114.79 -78.93 125.92 99.87 0.10 0.02 99.76 0.11 0.05 0.01 0.00 0.00 0.05 0.02