# 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 P C C 97.51 3.46 14.62 19.14 109.18 -101.08 -69.44 133.85 99.96 0.02 0.02 99.75 0.16 0.07 0.00 0.00 0.00 0.01 0.01 1 H C C 112.58 8.12 9.66 18.97 114.35 -133.55 -90.90 130.20 96.14 1.74 2.13 92.28 1.49 2.80 0.63 1.03 0.00 0.80 0.97 2 R C C 161.81 2.92 12.88 17.22 108.20 -160.08 -95.01 75.62 94.54 2.53 2.93 66.97 19.36 7.89 0.58 2.52 0.00 1.29 1.39 3 Y C C 97.70 12.00 8.91 21.00 118.69 57.03 -100.67 133.53 94.55 3.44 2.01 70.69 19.59 3.47 0.61 1.39 0.00 1.21 3.05 4 R C C 139.64 3.90 13.85 19.35 118.55 -145.72 -96.99 140.53 99.10 0.51 0.40 85.31 12.89 0.82 0.19 0.15 0.00 0.16 0.47 5 P C T 99.72 4.46 12.26 18.38 110.06 -101.18 -60.81 138.81 95.27 0.17 4.56 5.15 5.58 84.92 2.21 1.92 0.00 0.07 0.15 6 G C T 54.92 2.53 14.74 18.04 97.38 22.29 85.25 -2.86 94.10 0.15 5.75 6.05 6.47 81.95 3.05 2.30 0.00 0.07 0.10 7 T C C 41.89 9.62 11.16 22.56 115.24 122.62 -81.77 144.10 75.60 2.55 21.85 57.57 14.92 2.47 20.92 1.47 0.00 0.61 2.04 8 V H H 85.30 4.06 17.09 22.01 94.05 -138.64 -63.85 -38.60 4.34 0.04 95.62 1.66 0.79 1.89 94.87 0.74 0.00 0.02 0.01 9 A H H 32.53 10.49 15.93 27.70 92.08 52.95 -64.30 -41.10 2.18 0.02 97.80 0.67 0.26 1.18 97.07 0.79 0.00 0.01 0.00 10 L H H 43.35 11.30 15.71 28.27 91.90 49.85 -65.15 -40.79 0.82 0.01 99.18 0.26 0.08 0.40 98.69 0.56 0.00 0.00 0.00 11 R H H 115.48 3.72 19.47 23.49 91.83 51.39 -64.10 -41.21 0.43 0.00 99.57 0.11 0.04 0.20 99.47 0.18 0.00 0.00 0.00 12 E H H 83.42 5.36 19.43 25.52 91.69 50.21 -64.72 -41.31 0.57 0.00 99.43 0.10 0.04 0.33 99.40 0.13 0.00 0.00 0.00 13 I H H 33.52 14.26 16.01 31.01 92.20 50.30 -64.84 -42.07 0.64 0.00 99.35 0.11 0.04 0.37 99.32 0.15 0.00 0.00 0.00 14 R H H 113.64 5.91 18.88 25.65 91.71 51.73 -63.72 -40.90 0.86 0.00 99.13 0.15 0.07 0.51 98.96 0.31 0.00 0.00 0.00 15 R H H 129.19 2.55 19.72 21.78 92.11 50.18 -65.04 -41.02 2.53 0.01 97.46 0.30 0.18 1.80 97.05 0.65 0.01 0.00 0.00 16 Y H H 68.50 10.79 15.64 27.52 92.64 49.24 -66.82 -39.08 5.60 0.03 94.37 0.91 0.60 3.76 93.73 0.97 0.01 0.01 0.01 17 Q H H 69.70 12.21 14.81 27.29 92.58 54.30 -65.22 -37.95 12.43 0.09 87.48 3.18 1.56 7.34 85.64 2.18 0.02 0.04 0.04 18 K H H 142.43 1.80 18.47 19.70 92.76 51.78 -69.40 -33.58 27.20 0.14 72.67 3.51 3.02 20.29 70.18 2.83 0.04 0.05 0.08 19 S C H 54.57 4.95 16.66 22.39 100.17 44.87 -89.25 -15.61 50.65 0.29 49.06 17.34 6.16 27.03 46.05 3.12 0.01 0.11 0.19 20 T H H 32.98 16.07 13.12 28.76 95.46 72.51 -67.38 -38.27 16.62 0.14 83.24 8.84 3.50 4.74 80.70 2.10 0.00 0.05 0.06 21 E H H 106.38 6.19 17.61 24.78 93.11 60.31 -63.67 -39.28 6.06 0.05 93.89 1.70 0.91 3.45 91.07 2.81 0.01 0.03 0.02 22 L H H 76.27 3.86 18.76 23.02 92.61 51.48 -65.42 -40.98 3.92 0.06 96.02 1.08 0.54 2.36 92.59 3.36 0.01 0.04 0.01 23 L H H 34.73 12.93 15.92 29.83 92.53 50.98 -65.34 -41.57 2.63 0.03 97.34 0.68 0.34 1.55 93.75 3.64 0.00 0.03 0.01 24 I H H 33.27 16.85 14.86 31.55 92.55 50.76 -65.77 -38.99 3.90 0.03 96.08 0.50 0.34 2.83 89.22 7.08 0.01 0.02 0.01 25 R H H 143.23 4.24 18.83 24.01 92.44 53.96 -67.66 -29.85 18.48 0.03 81.49 0.64 0.77 17.18 75.65 5.71 0.03 0.01 0.02 26 K H H 118.84 4.86 18.50 23.94 96.06 49.25 -88.27 -12.05 41.69 0.06 58.26 1.59 2.47 37.29 53.57 4.98 0.03 0.02 0.05 27 L C C 28.23 18.42 12.39 30.32 108.78 96.05 -79.81 108.53 67.35 0.28 32.38 34.63 26.16 4.75 32.67 1.52 0.00 0.06 0.20 28 P H H 60.44 6.53 20.71 28.12 94.09 -146.38 -64.13 -33.11 25.11 0.12 74.77 9.94 2.81 11.97 72.59 2.57 0.01 0.05 0.07 29 F H H 39.53 17.48 17.52 34.43 93.10 54.90 -66.12 -37.96 9.43 0.05 90.52 2.93 1.03 5.30 88.38 2.31 0.01 0.02 0.03 30 Q H H 60.11 13.78 18.76 32.27 92.04 54.93 -63.21 -40.54 1.44 0.01 98.56 0.55 0.15 0.63 97.67 0.99 0.00 0.00 0.00 31 R H H 120.07 4.01 22.91 26.72 91.87 50.88 -64.97 -40.96 0.72 0.00 99.28 0.20 0.06 0.37 98.90 0.46 0.00 0.00 0.00 32 L H H 40.75 11.19 20.36 32.34 92.02 50.63 -64.52 -42.51 0.51 0.00 99.49 0.11 0.04 0.28 99.32 0.25 0.00 0.00 0.00 33 V H H 13.32 19.77 17.38 37.09 91.88 50.33 -64.03 -42.49 0.33 0.00 99.67 0.06 0.02 0.18 99.62 0.12 0.00 0.00 0.00 34 R H H 108.00 8.07 20.94 29.49 91.54 51.30 -63.34 -41.28 0.40 0.00 99.59 0.06 0.02 0.25 99.53 0.14 0.00 0.00 0.00 35 E H H 93.72 3.21 22.47 24.99 91.72 49.72 -64.74 -41.60 0.88 0.00 99.11 0.10 0.05 0.62 98.99 0.24 0.00 0.00 0.00 36 I H H 28.04 13.13 17.84 32.10 92.29 49.48 -65.09 -41.73 1.59 0.00 98.40 0.21 0.12 1.06 98.08 0.52 0.00 0.00 0.00 37 A H H 16.11 15.34 13.94 30.15 91.78 52.40 -64.56 -38.62 4.11 0.01 95.88 0.58 0.31 2.87 94.07 2.15 0.00 0.00 0.00 38 Q H H 115.93 2.66 17.97 20.91 92.41 52.94 -66.19 -36.44 16.09 0.03 83.88 0.90 0.86 14.18 79.73 4.28 0.02 0.01 0.02 39 D H H 95.37 2.98 16.56 19.88 94.29 50.48 -77.23 -24.45 28.92 0.07 71.01 1.97 2.10 24.64 67.44 3.75 0.03 0.02 0.04 40 F C H 68.11 12.74 10.46 23.41 102.16 55.96 -93.61 10.78 60.70 0.83 38.46 27.79 12.99 20.75 33.94 3.65 0.02 0.27 0.59 41 K C C 136.64 3.94 13.24 18.69 102.76 156.61 -69.82 30.87 83.28 0.87 15.85 54.35 9.60 18.79 12.38 3.92 0.00 0.39 0.57 42 T C C 92.29 3.97 11.59 16.88 102.93 68.73 -90.77 -4.55 80.65 0.81 18.54 36.49 23.34 21.12 11.59 6.57 0.00 0.32 0.57 43 D C C 97.80 4.08 12.64 17.70 105.85 59.63 -88.92 68.29 75.86 0.84 23.30 41.72 18.35 15.87 13.56 9.57 0.00 0.33 0.58 44 L C C 92.04 8.22 11.35 20.59 99.99 -162.74 -75.96 -2.13 62.53 1.40 36.07 36.56 12.41 13.06 20.08 16.50 0.01 0.68 0.71 45 R C C 141.15 4.52 16.12 21.68 102.09 90.39 -78.64 -5.85 58.02 3.27 38.70 36.29 10.24 11.21 23.78 15.37 0.02 1.86 1.23 46 F C C 64.31 15.11 11.90 26.62 105.40 79.53 -86.55 52.58 56.59 3.76 39.66 40.76 8.51 7.34 28.79 11.09 0.01 2.06 1.44 47 Q C H 89.32 6.80 17.51 24.93 108.94 128.11 -79.85 136.24 52.13 1.17 46.70 41.82 5.68 4.18 44.88 2.48 0.00 0.52 0.44 48 S H H 64.48 6.94 15.74 23.58 94.63 -108.25 -64.67 -38.02 12.35 0.10 87.55 5.97 2.52 3.94 86.27 1.23 0.00 0.04 0.04 49 S H H 66.55 2.88 19.71 22.21 92.83 51.29 -66.50 -39.10 4.69 0.03 95.27 1.85 0.68 2.05 94.54 0.84 0.00 0.02 0.01 50 A H H 20.98 12.15 16.60 30.07 92.31 51.06 -65.20 -41.77 1.54 0.02 98.44 0.66 0.19 0.65 97.99 0.50 0.00 0.01 0.00 51 V H H 26.28 16.06 16.90 33.16 92.06 49.93 -64.19 -42.47 0.64 0.01 99.36 0.25 0.07 0.27 99.20 0.20 0.00 0.00 0.00 52 M H H 91.49 4.46 22.19 26.74 91.55 50.26 -64.00 -41.53 0.40 0.00 99.60 0.14 0.04 0.18 99.54 0.10 0.00 0.00 0.00 53 A H H 45.01 5.26 21.51 27.29 91.59 50.71 -63.93 -41.79 0.34 0.00 99.66 0.09 0.03 0.17 99.64 0.07 0.00 0.00 0.00 54 L H H 31.07 15.94 18.42 34.42 92.29 49.99 -64.83 -41.72 0.24 0.00 99.76 0.05 0.02 0.13 99.75 0.05 0.00 0.00 0.00 55 Q H H 68.46 12.85 20.19 32.67 91.89 50.90 -63.16 -41.58 0.22 0.00 99.78 0.04 0.01 0.12 99.79 0.04 0.00 0.00 0.00 56 E H H 109.85 2.92 23.59 25.88 91.71 49.56 -64.86 -41.31 0.28 0.00 99.72 0.04 0.01 0.17 99.74 0.04 0.00 0.00 0.00 57 A H H 39.81 7.25 21.18 29.33 91.86 49.97 -65.24 -41.48 0.42 0.00 99.58 0.05 0.02 0.25 99.62 0.06 0.00 0.00 0.00 58 S H H 17.41 16.70 18.01 34.85 91.91 50.97 -64.78 -41.31 0.60 0.00 99.40 0.09 0.03 0.36 99.44 0.09 0.00 0.00 0.00 59 E H H 83.21 10.26 20.94 31.27 91.91 51.50 -63.67 -40.75 0.39 0.00 99.61 0.04 0.02 0.25 99.60 0.09 0.00 0.00 0.00 60 A H H 57.30 3.60 22.59 25.83 91.72 51.33 -64.74 -40.88 0.31 0.00 99.69 0.03 0.01 0.20 99.66 0.10 0.00 0.00 0.00 61 Y H H 87.21 10.31 21.14 31.62 92.22 49.73 -65.25 -41.60 0.33 0.00 99.67 0.03 0.01 0.22 99.60 0.13 0.00 0.00 0.00 62 L H H 28.69 17.92 18.59 36.07 92.05 49.63 -64.77 -42.05 0.47 0.00 99.53 0.05 0.02 0.32 99.41 0.20 0.00 0.00 0.00 63 V H H 60.99 8.50 20.89 29.99 91.89 50.98 -64.26 -41.54 0.95 0.00 99.05 0.10 0.06 0.68 98.72 0.44 0.00 0.00 0.00 64 G H H 30.80 4.85 21.38 26.72 91.92 51.32 -64.35 -41.02 4.75 0.01 95.24 0.35 0.26 3.90 94.13 1.34 0.01 0.00 0.00 65 L H H 37.71 14.06 18.64 32.97 92.47 50.52 -66.08 -40.86 10.54 0.03 89.42 0.90 0.76 8.61 87.33 2.35 0.02 0.01 0.02 66 F H H 48.63 16.54 17.06 33.12 93.41 51.33 -68.90 -35.79 18.75 0.36 80.89 5.78 3.28 10.62 76.41 3.49 0.06 0.17 0.18 67 E H H 112.13 4.94 20.43 25.95 93.85 56.43 -67.82 -35.79 31.78 0.65 67.56 10.64 5.40 16.64 63.35 3.29 0.06 0.31 0.31 68 D H H 79.61 6.58 19.40 26.37 97.12 48.67 -81.59 -18.97 46.05 0.60 53.34 17.62 7.33 21.27 49.55 3.63 0.03 0.26 0.31 69 T H H 36.52 16.30 15.97 31.50 99.26 65.17 -80.59 -23.43 49.38 0.90 49.72 23.35 10.09 16.13 45.82 3.77 0.03 0.39 0.43 70 N H H 76.52 9.79 20.18 29.87 96.65 84.71 -65.70 -26.49 41.13 1.03 57.84 23.34 5.77 12.57 53.54 3.82 0.02 0.52 0.43 71 L H H 62.18 9.41 19.90 29.73 93.94 69.14 -66.14 -39.11 14.48 0.71 84.81 6.58 2.77 6.29 77.40 6.21 0.06 0.47 0.21 72 S H H 29.16 11.61 18.24 30.70 92.91 52.56 -65.77 -39.72 9.59 0.90 89.51 3.91 1.63 4.71 80.96 7.80 0.06 0.76 0.17 73 A H H 27.12 11.18 16.61 29.04 92.96 52.87 -66.27 -39.14 8.86 1.11 90.03 3.58 1.50 4.33 81.13 8.19 0.06 1.04 0.17 74 I H H 76.11 7.39 17.92 25.99 93.29 50.56 -67.84 -39.29 12.17 1.68 86.15 4.17 2.08 6.66 79.42 5.80 0.13 1.43 0.30 75 H H H 100.78 6.94 17.22 24.78 94.62 49.84 -71.50 -30.36 24.60 1.97 73.42 7.29 4.30 14.34 67.92 4.00 0.24 1.31 0.60 76 A C H 42.18 10.98 12.85 24.57 98.06 55.35 -81.03 -6.36 57.88 1.43 40.70 16.44 9.45 31.50 38.02 3.19 0.07 0.70 0.64 77 K C T 156.36 2.61 16.89 20.34 96.55 -124.26 53.84 28.28 78.77 0.85 20.38 18.70 14.01 45.44 17.29 3.68 0.01 0.40 0.46 78 R C C 113.09 7.90 13.79 22.84 120.04 112.39 -104.51 140.41 86.54 2.06 11.40 36.52 23.24 26.98 7.75 3.56 0.01 1.04 0.90 79 V C C 91.60 8.00 14.56 23.46 100.30 -150.03 -90.05 -7.66 88.46 5.53 6.01 49.18 29.88 9.73 3.47 2.58 0.01 3.57 1.58 80 T C C 74.16 5.16 20.06 25.84 126.87 64.77 -121.67 142.93 86.47 9.43 4.10 55.62 24.93 6.24 1.84 2.32 0.00 6.93 2.11 81 I C C 35.00 20.35 11.69 31.33 111.88 -128.11 -89.36 121.50 86.88 9.53 3.59 69.27 15.18 1.83 1.99 1.77 0.00 5.11 4.85 82 M C C 74.07 6.89 19.29 26.93 123.77 -167.23 -95.90 156.65 97.56 0.55 1.89 92.60 4.59 0.19 2.13 0.07 0.00 0.19 0.23 83 P H H 81.09 6.51 16.03 23.84 91.03 -108.69 -57.87 -38.22 2.91 0.01 97.08 0.42 0.28 1.93 96.52 0.85 0.00 0.00 0.00 84 K H H 120.43 3.52 20.09 24.00 91.51 54.30 -64.30 -38.62 1.26 0.00 98.74 0.15 0.08 0.85 98.18 0.74 0.00 0.00 0.00 85 D H H 18.42 17.78 16.36 34.31 92.04 51.00 -65.47 -40.89 0.39 0.00 99.61 0.09 0.03 0.20 99.12 0.57 0.00 0.00 0.00 86 I H H 25.81 17.12 17.96 35.09 91.78 50.88 -63.89 -41.96 0.14 0.00 99.86 0.02 0.01 0.06 99.81 0.10 0.00 0.00 0.00 87 Q H H 90.81 3.79 24.08 27.48 91.33 50.73 -63.41 -42.19 0.13 0.00 99.87 0.02 0.00 0.07 99.87 0.04 0.00 0.00 0.00 88 L H H 38.79 9.45 21.32 32.06 91.73 50.20 -64.00 -42.59 0.15 0.00 99.85 0.01 0.00 0.08 99.85 0.04 0.00 0.00 0.00 89 A H H 6.05 19.38 16.50 36.79 91.49 51.21 -62.75 -42.64 0.25 0.00 99.75 0.03 0.01 0.14 99.75 0.07 0.00 0.00 0.00 90 R H H 86.12 8.88 19.17 28.89 91.46 50.98 -63.76 -40.91 0.71 0.00 99.29 0.08 0.04 0.46 99.17 0.25 0.00 0.00 0.00 91 R H H 134.61 2.94 19.59 22.52 91.86 50.75 -64.80 -40.78 1.68 0.00 98.32 0.18 0.10 1.21 97.93 0.58 0.00 0.00 0.00 92 I H H 55.27 12.45 15.34 28.35 92.65 49.44 -67.56 -36.57 6.53 0.03 93.44 0.39 0.41 5.51 92.95 0.71 0.01 0.01 0.01 93 R C T 96.49 10.51 13.76 24.95 95.59 46.19 -84.72 -6.17 53.78 0.11 46.10 1.25 2.59 48.21 46.57 1.24 0.02 0.04 0.07 94 G C T 54.02 2.68 14.35 18.05 99.00 -105.14 78.29 10.16 94.13 0.19 5.68 8.83 6.24 78.96 5.00 0.79 0.00 0.08 0.10 95 E C C 110.67 5.45 10.25 17.48 108.98 127.29 -86.85 104.94 96.84 0.42 2.75 90.15 1.95 5.30 1.42 0.74 0.00 0.17 0.27 96 R C C 154.27 4.52 12.91 19.27 111.01 88.29 -94.15 118.23 99.90 0.05 0.05 99.72 0.15 0.08 0.01 0.01 0.00 0.02 0.01