# 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 S C C 67.33 6.78 13.93 21.92 114.82 -154.57 -99.23 130.98 99.93 0.05 0.02 99.76 0.14 0.06 0.00 0.00 0.00 0.02 0.01 1 H C C 124.17 5.91 11.55 18.98 108.00 -154.56 -93.72 69.19 87.77 1.14 11.08 75.13 2.82 10.58 5.03 5.11 0.00 0.56 0.78 2 G C C 43.32 6.32 11.20 18.82 109.48 89.82 -66.87 21.71 78.19 0.95 20.87 36.32 18.75 22.99 4.91 16.00 0.00 0.42 0.61 3 S C C 80.90 3.52 11.72 16.79 103.92 47.75 -83.17 33.68 74.49 0.89 24.62 31.86 19.13 23.23 5.29 19.56 0.00 0.40 0.53 4 H C C 141.54 2.91 12.18 16.48 105.76 50.34 -91.94 30.84 73.88 1.64 24.48 38.47 17.36 18.26 6.51 17.72 0.00 0.78 0.91 5 E C C 75.29 10.25 9.90 21.14 116.76 143.15 -92.49 140.53 95.06 0.80 4.15 67.13 26.40 1.52 3.11 0.94 0.00 0.24 0.66 6 T C C 69.55 3.11 16.79 20.04 119.75 -123.55 -81.15 163.69 95.18 0.54 4.28 89.89 4.27 0.87 4.09 0.35 0.00 0.15 0.38 7 D H H 79.43 10.70 12.22 23.49 93.19 -104.21 -60.15 -38.11 3.08 0.01 96.91 0.93 0.61 1.34 96.75 0.36 0.00 0.00 0.00 8 E H H 130.49 1.86 16.63 18.47 92.27 52.08 -65.02 -40.22 1.38 0.00 98.61 0.26 0.15 0.81 98.46 0.32 0.00 0.00 0.00 9 E H H 100.33 2.88 17.93 20.85 92.27 48.93 -65.60 -40.85 0.65 0.00 99.35 0.18 0.07 0.33 99.14 0.29 0.00 0.00 0.00 10 F H H 26.68 15.80 13.97 30.53 91.73 50.26 -63.76 -42.88 0.29 0.00 99.71 0.08 0.02 0.14 99.69 0.07 0.00 0.00 0.00 11 D H H 44.75 12.39 17.39 30.43 91.44 50.96 -63.21 -41.05 0.26 0.00 99.74 0.04 0.01 0.13 99.78 0.03 0.00 0.00 0.00 12 A H H 57.83 2.52 22.00 23.37 91.45 50.87 -63.93 -41.11 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 13 R H H 99.64 6.81 21.32 28.60 91.81 50.09 -64.73 -41.60 0.26 0.00 99.74 0.02 0.01 0.16 99.79 0.02 0.00 0.00 0.00 14 W H H 16.29 21.87 16.39 38.13 91.92 49.79 -64.07 -42.78 0.21 0.00 99.79 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 15 V H H 45.18 11.90 19.84 32.24 91.64 50.35 -63.00 -42.06 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 16 T H H 81.35 1.77 24.24 23.78 91.80 49.82 -64.09 -41.62 0.36 0.00 99.64 0.02 0.01 0.28 99.41 0.27 0.00 0.00 0.00 17 Y H H 44.69 12.68 18.54 32.14 92.39 49.07 -66.48 -39.75 1.12 0.00 98.87 0.03 0.03 1.05 97.88 1.01 0.00 0.00 0.00 18 F H H 16.32 22.61 13.63 36.03 91.64 54.58 -69.36 -25.31 10.41 0.00 89.59 0.20 0.30 10.16 88.02 1.31 0.00 0.00 0.00 19 N C T 102.35 4.65 19.28 24.75 94.01 56.83 -88.60 -4.86 63.59 0.04 36.36 2.93 3.73 54.74 36.58 1.96 0.00 0.01 0.05 20 K C C 88.73 7.74 12.55 22.28 114.07 106.42 -76.14 130.43 99.66 0.21 0.14 60.60 38.58 0.43 0.07 0.04 0.00 0.04 0.23 21 P C T 114.52 2.11 13.28 16.88 93.44 -131.17 -63.73 -25.58 99.39 0.04 0.57 1.41 7.22 90.77 0.05 0.51 0.00 0.02 0.02 22 D C T 122.32 1.10 15.74 16.12 96.75 51.55 -91.91 14.96 99.59 0.09 0.32 3.59 5.11 90.88 0.04 0.30 0.00 0.05 0.02 23 I C C 27.35 18.78 7.54 25.26 115.28 129.86 -79.80 132.10 98.60 1.01 0.39 85.47 12.62 0.39 0.20 0.15 0.00 0.29 0.88 24 D C C 78.36 3.07 21.69 23.82 119.72 -141.69 -87.59 153.46 99.21 0.57 0.22 99.06 0.27 0.08 0.15 0.02 0.00 0.11 0.32 25 A H H 48.28 13.69 13.53 27.34 92.21 -114.81 -59.27 -37.87 1.32 0.00 98.68 0.08 0.10 0.99 98.41 0.42 0.00 0.00 0.00 26 W H H 158.06 2.16 20.19 21.58 91.69 53.84 -64.23 -41.09 0.44 0.00 99.56 0.02 0.02 0.38 99.12 0.46 0.00 0.00 0.00 27 E H H 73.06 7.84 19.73 28.39 91.90 49.04 -65.39 -41.02 0.14 0.00 99.86 0.01 0.01 0.11 99.38 0.50 0.00 0.00 0.00 28 L H H 6.56 23.73 14.62 38.53 91.31 49.99 -63.28 -43.20 0.09 0.00 99.91 0.01 0.00 0.06 99.79 0.14 0.00 0.00 0.00 29 R H H 99.78 10.51 21.79 32.19 91.55 50.57 -62.94 -41.45 0.15 0.00 99.85 0.01 0.00 0.10 99.82 0.06 0.00 0.00 0.00 30 K H H 114.35 2.43 25.52 26.64 91.67 49.92 -64.12 -41.99 0.29 0.00 99.71 0.02 0.01 0.22 99.67 0.09 0.00 0.00 0.00 31 G H H 7.42 16.52 19.78 36.83 91.97 50.26 -63.75 -42.81 0.95 0.00 99.05 0.06 0.04 0.71 99.01 0.18 0.00 0.00 0.00 32 M H H 15.59 22.28 18.92 40.70 91.49 50.19 -63.77 -41.65 1.91 0.00 98.09 0.17 0.12 1.35 97.93 0.42 0.00 0.00 0.00 33 N H H 79.77 5.21 23.90 29.30 91.58 51.21 -64.15 -40.42 2.96 0.01 97.03 0.36 0.23 2.11 95.62 1.68 0.01 0.00 0.00 34 T H H 63.37 5.24 23.22 28.51 91.87 49.77 -65.34 -41.36 5.04 0.02 94.93 0.45 0.38 3.98 92.21 2.93 0.03 0.01 0.01 35 L H H 10.79 21.69 15.65 37.25 92.55 50.18 -65.81 -40.17 7.10 0.06 92.85 0.97 0.79 5.26 89.02 3.86 0.05 0.03 0.03 36 V H H 53.45 14.65 16.94 31.15 93.25 50.22 -67.79 -34.68 20.71 0.19 79.10 1.54 1.74 17.87 74.10 4.35 0.19 0.09 0.12 37 G H H 55.44 1.75 19.11 20.19 93.46 51.98 -72.31 -24.10 47.83 0.21 51.96 2.55 3.73 40.86 48.92 3.61 0.07 0.08 0.16 38 Y C T 124.26 6.31 16.03 23.34 101.63 49.49 -96.88 2.70 79.43 0.77 19.79 10.36 24.63 44.61 15.37 4.02 0.03 0.26 0.72 39 D C T 90.24 8.37 17.22 26.35 99.25 -118.02 8.25 40.55 93.93 0.98 5.08 29.66 24.84 39.86 1.75 2.84 0.00 0.43 0.62 40 L C C 59.61 14.55 18.22 32.23 99.47 130.93 -89.42 -3.94 95.24 2.60 2.16 45.91 38.99 10.19 0.54 1.56 0.00 1.11 1.69 41 V C C 32.30 19.33 18.54 37.18 115.88 75.85 -104.13 121.46 96.00 3.61 0.39 54.12 40.84 1.24 0.15 0.20 0.00 1.22 2.23 42 P C C 23.47 19.50 17.65 36.89 115.88 -119.64 -68.81 151.36 99.10 0.79 0.11 94.80 4.01 0.34 0.04 0.05 0.00 0.32 0.44 43 E C C 92.26 7.39 24.01 31.56 115.04 -101.71 -71.94 147.75 99.85 0.10 0.06 98.46 1.37 0.04 0.04 0.01 0.00 0.02 0.07 44 P H H 52.69 15.75 15.76 31.31 91.74 -113.91 -58.08 -37.24 1.81 0.00 98.19 0.20 0.19 1.18 98.12 0.31 0.00 0.00 0.00 45 K H H 124.66 4.12 23.09 28.06 91.13 56.45 -63.61 -37.31 0.78 0.00 99.22 0.06 0.05 0.57 98.99 0.32 0.00 0.00 0.00 46 I H H 25.95 17.98 20.56 38.11 92.74 48.67 -66.03 -42.04 0.22 0.00 99.78 0.03 0.01 0.13 99.59 0.23 0.00 0.00 0.00 47 I H H 4.33 25.64 19.93 45.50 91.67 49.72 -63.32 -43.33 0.09 0.00 99.91 0.01 0.01 0.04 99.89 0.05 0.00 0.00 0.00 48 D H H 55.70 11.50 26.26 37.75 91.48 50.34 -63.34 -42.30 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 49 A H H 26.60 9.24 26.70 37.22 91.57 50.39 -64.29 -42.05 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 50 A H H 2.24 25.43 23.12 48.33 91.50 50.37 -63.70 -42.97 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 51 L H H 9.84 22.86 24.35 46.24 91.20 50.21 -63.37 -42.66 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 52 R H H 109.24 5.86 29.04 35.94 91.46 50.53 -63.37 -41.53 0.34 0.00 99.66 0.02 0.01 0.26 99.59 0.12 0.00 0.00 0.00 53 A H H 12.42 14.50 23.40 38.78 91.48 50.55 -64.09 -42.15 1.28 0.00 98.72 0.07 0.06 1.02 98.42 0.43 0.00 0.00 0.00 54 C H H 3.38 24.30 17.73 42.33 91.47 50.49 -65.18 -41.10 4.79 0.01 95.20 0.99 0.50 3.04 93.72 1.73 0.00 0.00 0.01 55 R H H 105.55 12.05 20.39 32.02 91.89 53.03 -63.61 -39.90 10.96 0.05 88.98 2.14 0.98 7.82 85.32 3.66 0.02 0.02 0.04 56 R H H 142.16 4.27 21.35 26.26 91.53 52.97 -66.40 -32.13 17.22 0.09 82.70 1.48 1.76 14.32 79.46 2.85 0.04 0.03 0.06 57 L C T 54.58 12.47 16.00 29.22 95.30 46.66 -90.96 -0.13 64.80 0.20 35.00 2.74 6.86 53.64 33.86 2.62 0.03 0.06 0.17 58 N C T 109.39 5.95 19.50 26.81 92.77 -123.15 59.00 37.73 98.32 0.09 1.59 12.49 8.38 77.61 1.07 0.35 0.00 0.03 0.06 59 D C C 45.06 12.56 18.72 31.75 109.46 136.91 -115.16 98.08 96.54 0.89 2.57 91.48 3.24 1.66 2.24 0.38 0.00 0.22 0.79 60 F H H 58.39 19.27 18.80 36.99 94.41 170.59 -67.09 -36.02 2.55 0.00 97.45 0.97 0.37 1.01 97.37 0.28 0.00 0.00 0.00 61 A H H 47.52 9.10 25.61 35.02 91.79 55.07 -63.19 -42.49 0.58 0.00 99.42 0.08 0.04 0.36 99.30 0.22 0.00 0.00 0.00 62 S H H 18.81 13.84 24.71 38.91 91.52 49.44 -64.68 -41.36 0.18 0.00 99.82 0.03 0.01 0.10 99.64 0.21 0.00 0.00 0.00 63 A H H 1.38 26.37 20.61 47.25 90.91 51.64 -63.00 -43.29 0.10 0.00 99.90 0.01 0.00 0.05 99.84 0.09 0.00 0.00 0.00 64 V H H 20.90 18.75 25.36 43.35 91.36 50.10 -63.81 -42.37 0.07 0.00 99.93 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 65 R H H 98.63 7.67 28.81 37.48 91.70 51.24 -63.64 -42.41 0.10 0.00 99.90 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 66 I H H 6.35 23.19 24.38 46.77 91.46 49.41 -63.84 -43.79 0.15 0.00 99.85 0.01 0.00 0.13 99.83 0.03 0.00 0.00 0.00 67 L H H 2.56 26.34 22.96 49.11 91.36 49.83 -63.71 -42.35 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 68 E H H 68.56 9.38 26.52 36.45 91.68 51.31 -64.00 -41.87 0.10 0.00 99.90 0.00 0.00 0.07 99.89 0.02 0.00 0.00 0.00 69 V H H 35.38 9.48 24.57 35.09 91.69 49.79 -64.22 -42.40 0.31 0.00 99.69 0.01 0.01 0.24 99.68 0.05 0.00 0.00 0.00 70 V H H 3.19 24.76 18.35 43.41 91.42 49.57 -64.06 -42.60 0.45 0.00 99.55 0.04 0.02 0.30 99.53 0.11 0.00 0.00 0.00 71 K H H 71.02 16.28 19.67 34.67 91.50 51.98 -62.20 -41.73 0.62 0.00 99.38 0.05 0.03 0.45 99.13 0.34 0.00 0.00 0.00 72 D H H 105.60 1.69 23.44 23.86 92.33 48.14 -66.96 -37.91 2.28 0.00 97.72 0.08 0.09 2.06 96.95 0.82 0.00 0.00 0.00 73 K H H 95.99 8.58 19.41 28.24 94.61 43.71 -78.98 -31.23 6.95 0.01 93.05 0.19 0.35 6.45 92.15 0.85 0.01 0.00 0.00 74 A H H 11.30 19.92 11.14 30.63 95.96 50.96 -84.14 -15.26 32.36 0.22 67.43 3.89 5.97 23.41 64.39 1.97 0.10 0.06 0.21 75 G C T 33.13 5.43 16.66 23.59 120.61 -147.36 72.96 -157.55 75.84 0.49 23.67 25.09 8.25 39.29 1.50 25.37 0.00 0.26 0.24 76 P C T 120.74 1.27 15.68 16.54 93.57 -21.44 -73.37 -11.16 75.03 0.16 24.81 4.62 15.59 50.80 0.89 27.93 0.00 0.08 0.10 77 H C C 92.64 8.02 12.47 21.90 102.78 77.64 -94.47 76.00 78.52 0.54 20.94 44.88 14.57 15.49 1.67 22.80 0.00 0.24 0.35 78 K C T 124.85 7.24 13.34 22.37 94.53 159.54 -64.87 -31.04 54.41 0.21 45.38 3.94 6.70 42.74 11.63 34.70 0.01 0.10 0.18 79 E C T 134.81 2.12 19.37 21.34 92.41 61.13 -68.81 -27.70 57.08 0.08 42.85 1.44 3.87 51.61 12.62 30.33 0.01 0.03 0.08 80 I H H 21.55 16.95 15.57 32.83 95.38 50.76 -75.95 -34.83 24.26 0.05 75.69 1.56 1.72 19.63 53.64 23.37 0.04 0.02 0.04 81 Y H H 27.92 20.45 15.30 35.30 92.01 65.61 -60.72 -43.96 0.90 0.00 99.10 0.13 0.07 0.54 98.70 0.56 0.00 0.00 0.00 82 P H H 65.47 4.91 22.18 27.43 91.20 50.88 -63.14 -39.27 0.30 0.00 99.70 0.03 0.01 0.20 99.36 0.40 0.00 0.00 0.00 83 Y H H 84.11 6.82 22.29 29.74 91.90 50.58 -64.92 -41.86 0.06 0.00 99.94 0.00 0.00 0.04 99.76 0.19 0.00 0.00 0.00 84 V H H 5.21 23.14 17.78 41.09 91.74 49.30 -63.70 -44.05 0.06 0.00 99.94 0.00 0.00 0.04 99.88 0.07 0.00 0.00 0.00 85 I H H 26.89 18.62 18.54 36.67 91.93 49.03 -63.79 -41.33 0.10 0.00 99.90 0.00 0.00 0.08 99.83 0.08 0.00 0.00 0.00 86 Q H H 116.26 2.32 23.08 24.73 91.95 50.61 -65.13 -39.45 0.29 0.00 99.71 0.00 0.01 0.29 99.41 0.29 0.00 0.00 0.00 87 E H H 79.86 9.78 20.04 30.09 93.50 45.48 -72.25 -32.79 3.61 0.00 96.39 0.02 0.04 4.27 95.17 0.50 0.00 0.00 0.00 88 L H H 5.27 24.26 14.34 39.13 97.90 39.36 -96.50 -12.46 18.58 0.00 81.42 0.22 0.44 18.57 79.88 0.87 0.00 0.00 0.00 89 R H H 97.24 13.90 17.49 31.22 92.10 91.15 -57.41 -44.26 3.37 0.00 96.62 0.97 0.31 1.58 95.53 1.61 0.00 0.00 0.00 90 P H H 77.09 2.13 23.08 23.59 90.96 50.53 -63.83 -38.92 1.46 0.00 98.54 0.20 0.07 0.95 96.80 1.98 0.00 0.00 0.00 91 T H H 23.30 14.17 18.59 33.37 92.21 49.82 -65.95 -41.46 0.60 0.00 99.40 0.08 0.04 0.38 97.97 1.52 0.00 0.00 0.00 92 L H H 7.35 23.29 13.48 36.80 91.84 50.55 -63.68 -42.84 0.46 0.00 99.53 0.08 0.05 0.27 99.04 0.56 0.00 0.00 0.00 93 N H H 106.34 3.35 19.37 23.62 91.79 49.78 -63.49 -40.50 0.83 0.00 99.16 0.09 0.05 0.61 98.30 0.96 0.00 0.00 0.00 94 E H H 125.94 2.86 18.58 21.94 91.16 52.87 -65.14 -32.53 4.10 0.00 95.90 0.08 0.12 4.11 94.78 0.90 0.00 0.00 0.00 95 L C T 37.24 16.47 13.69 30.37 93.62 47.18 -88.76 -2.48 53.36 0.01 46.62 0.21 0.84 53.75 43.67 1.50 0.01 0.00 0.02 96 G C T 52.65 2.34 22.29 24.30 95.04 -113.62 77.50 19.47 99.88 0.00 0.12 1.65 1.00 97.29 0.04 0.02 0.00 0.00 0.00 97 I C C 18.74 21.44 11.56 32.71 117.49 135.50 -104.22 129.79 99.36 0.54 0.10 96.33 2.84 0.24 0.04 0.03 0.00 0.17 0.35 98 S C C 51.99 7.10 23.27 30.60 117.47 -154.42 -99.24 145.18 99.05 0.84 0.11 94.97 3.82 0.27 0.05 0.03 0.00 0.30 0.56 99 T C C 25.55 15.15 19.47 34.83 126.99 -126.44 -106.85 156.89 98.26 0.84 0.90 84.54 12.90 0.42 0.71 0.14 0.00 0.17 1.12 100 P H G 23.76 19.03 14.81 33.85 92.41 -108.77 -59.91 -36.64 33.40 0.15 66.45 2.55 3.21 26.72 32.55 34.76 0.02 0.07 0.12 101 E H G 116.65 4.58 18.22 23.95 92.21 53.37 -64.43 -39.14 22.61 0.10 77.29 1.07 1.48 18.89 35.05 43.38 0.02 0.06 0.05 102 E H G 110.25 5.17 17.33 23.60 91.66 52.92 -67.75 -29.06 18.12 0.11 81.77 0.98 1.42 14.67 37.51 45.29 0.02 0.06 0.05 103 L H G 37.76 16.02 12.38 28.76 93.78 50.72 -86.86 -2.06 40.22 0.26 59.52 1.49 3.71 33.27 24.30 36.71 0.14 0.12 0.26 104 G C T 46.81 3.67 19.17 23.31 95.59 -108.77 79.27 12.87 96.59 0.16 3.25 7.05 4.89 85.11 1.30 1.47 0.00 0.08 0.10 105 L C C 42.05 16.22 11.48 27.45 101.88 125.19 -84.38 -0.82 86.23 1.36 12.41 53.00 13.17 19.41 2.80 10.05 0.00 0.59 0.98 106 D C C 81.11 8.98 13.92 23.61 103.73 75.65 -89.48 36.51 85.60 2.44 11.96 45.63 17.70 22.06 2.19 10.01 0.00 1.24 1.17 107 K C C 130.35 4.37 13.72 19.85 114.41 123.76 -92.95 129.54 90.74 2.57 6.68 81.06 2.96 6.88 1.50 4.84 0.00 1.24 1.52 108 V C C 86.06 9.30 12.59 22.76 109.57 -131.44 -85.26 123.00 99.96 0.03 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.00