# 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 131.23 3.30 11.10 16.11 116.26 -156.98 -96.37 132.85 99.89 0.09 0.02 99.84 0.07 0.04 0.01 0.00 0.00 0.04 0.01 1 A C C 79.63 4.00 8.32 14.27 115.32 -137.02 -89.52 136.56 94.12 3.21 2.67 88.67 1.36 4.75 0.98 1.02 0.00 1.82 1.39 2 S C C 79.52 3.49 8.21 13.65 114.64 -132.34 -91.08 136.36 93.70 3.85 2.45 73.93 14.14 5.49 0.75 1.71 0.00 2.35 1.64 3 V C C 119.13 2.29 10.08 13.82 105.42 -148.54 -90.17 29.05 94.36 3.84 1.79 58.13 33.26 3.24 0.71 0.99 0.00 2.06 1.62 4 V C C 80.93 6.63 8.44 16.73 118.21 77.25 -105.33 128.94 95.65 3.47 0.89 52.95 42.31 0.94 0.51 0.32 0.00 1.72 1.25 5 P C C 86.55 3.45 12.25 17.17 111.86 -112.54 -68.50 143.87 95.11 2.99 1.90 89.06 4.59 1.73 0.77 0.88 0.00 1.62 1.35 6 L C C 100.44 7.71 8.48 17.24 107.18 -138.59 -85.08 91.77 82.34 4.59 13.07 64.84 8.92 7.19 3.33 10.44 0.00 2.02 3.25 7 K C T 141.84 2.99 11.52 15.97 110.61 119.34 -86.01 127.19 80.38 1.79 17.82 19.81 23.42 37.45 2.61 14.82 0.01 0.85 1.01 8 E C T 142.82 2.49 11.92 15.68 105.89 -84.07 -87.28 61.53 79.19 1.59 19.22 24.17 18.63 36.46 2.67 16.49 0.01 0.80 0.78 9 E C C 88.67 7.58 9.79 18.94 119.03 117.20 -95.62 148.26 95.53 1.08 3.38 56.25 37.55 1.98 1.20 1.78 0.00 0.47 0.78 10 K C C 115.20 3.27 14.91 18.88 115.19 -110.39 -80.62 141.05 84.74 13.41 1.84 78.72 2.86 0.68 0.89 0.69 0.00 2.64 13.52 11 L H G 70.63 13.60 9.59 23.16 92.79 -119.64 -60.33 -34.72 17.87 0.51 81.62 3.49 2.64 10.36 1.64 81.46 0.00 0.35 0.07 12 L H G 112.07 4.49 13.92 19.46 91.08 60.87 -69.66 -16.50 17.73 0.15 82.12 0.95 1.46 13.07 1.21 83.19 0.00 0.10 0.02 13 E H G 134.76 1.91 15.92 17.77 94.94 56.13 -89.32 -2.12 16.66 0.17 83.17 1.67 1.91 10.70 1.15 84.44 0.00 0.11 0.02 14 V C C 40.22 14.15 7.07 20.95 118.48 97.42 -85.27 139.24 97.79 0.74 1.47 67.78 29.24 0.71 0.66 0.61 0.00 0.19 0.81 15 K C C 136.05 1.80 15.63 17.44 119.27 -135.02 -92.34 151.03 92.06 6.04 1.90 88.13 2.04 0.62 0.92 0.59 0.00 1.10 6.61 16 L H G 116.65 5.42 11.35 18.47 106.78 -94.12 -58.86 133.11 48.51 0.52 50.97 2.67 4.95 39.00 2.43 50.37 0.00 0.27 0.30 17 G C G 56.40 2.03 14.66 17.22 94.98 25.37 81.69 -4.18 50.62 0.18 49.19 1.81 3.66 42.88 2.07 49.41 0.00 0.10 0.08 18 E C G 96.60 5.97 13.55 21.05 96.40 89.81 -83.95 -15.19 49.65 0.98 49.37 23.61 10.55 13.77 3.93 47.11 0.00 0.39 0.65 19 L C C 44.28 14.21 9.95 24.04 102.19 79.95 -81.06 6.11 55.75 0.39 43.86 41.83 10.57 3.95 39.56 3.70 0.00 0.12 0.27 20 P H H 78.72 3.66 15.40 20.05 93.43 87.93 -61.50 -37.07 16.28 0.12 83.59 6.12 1.91 7.94 69.62 14.27 0.01 0.07 0.05 21 S H H 63.94 2.70 15.79 18.88 92.68 53.67 -66.45 -34.96 6.86 0.06 93.08 1.41 0.71 4.21 76.29 17.32 0.01 0.04 0.02 22 W H H 75.55 11.16 12.44 24.68 92.67 53.80 -66.30 -38.61 2.82 0.03 97.15 0.58 0.29 1.72 80.06 17.33 0.00 0.02 0.00 23 I H H 68.02 10.71 12.98 24.58 91.82 52.79 -65.35 -36.78 4.04 0.04 95.92 0.59 0.39 2.72 79.44 16.81 0.01 0.03 0.01 24 L H H 116.21 2.20 15.57 18.19 91.54 55.89 -69.90 -22.88 16.89 0.09 83.01 1.16 1.19 13.28 68.82 15.40 0.05 0.05 0.04 25 M H H 110.95 4.39 14.19 19.73 95.94 53.55 -87.50 -5.32 48.43 0.46 51.11 6.21 5.48 35.40 39.52 12.70 0.12 0.21 0.36 26 R C T 108.60 11.15 11.59 23.22 112.36 100.88 -82.01 132.44 77.04 1.58 21.37 22.20 22.46 33.23 12.58 7.73 0.03 0.65 1.12 27 D C C 85.88 5.68 15.92 22.76 108.26 -145.94 -93.11 107.28 91.54 1.22 7.23 54.31 12.43 25.11 2.37 4.44 0.00 0.63 0.70 28 F C C 97.64 11.96 13.04 25.52 103.48 -164.00 -97.25 32.82 94.91 2.17 2.92 76.86 14.23 3.28 1.29 1.53 0.00 0.76 2.05 29 T C C 61.15 4.50 18.32 23.66 123.60 125.28 -96.80 157.06 97.70 0.63 1.68 61.89 34.84 0.65 1.70 0.16 0.00 0.12 0.64 30 P H H 76.29 9.28 13.53 23.90 91.13 -105.97 -58.54 -35.67 13.87 0.04 86.09 0.94 1.51 11.62 83.62 2.22 0.04 0.01 0.03 31 S H H 79.14 2.24 17.78 20.31 91.90 54.46 -65.97 -35.67 10.15 0.03 89.82 0.76 0.85 8.53 87.38 2.42 0.03 0.01 0.02 32 G H H 19.30 8.05 15.53 25.59 92.35 53.59 -64.23 -42.20 5.25 0.05 94.69 1.63 0.79 2.84 92.31 2.37 0.01 0.03 0.02 33 I H H 46.12 13.57 16.55 30.43 92.33 48.41 -65.06 -42.13 2.16 0.03 97.81 0.68 0.27 1.11 97.24 0.67 0.00 0.01 0.01 34 A H H 41.12 7.76 19.15 27.83 91.68 49.94 -63.45 -42.08 1.02 0.01 98.97 0.21 0.10 0.58 98.81 0.30 0.00 0.00 0.00 35 G H H 29.88 3.96 20.67 25.04 91.37 50.85 -63.25 -42.37 1.22 0.00 98.78 0.18 0.08 0.79 98.65 0.30 0.00 0.00 0.00 36 A H H 31.39 9.43 18.53 29.29 91.80 50.26 -64.27 -42.19 1.01 0.00 98.99 0.13 0.06 0.66 98.89 0.26 0.00 0.00 0.00 37 F H H 67.49 12.42 18.46 31.07 91.91 49.58 -64.57 -41.70 0.93 0.00 99.07 0.13 0.06 0.58 99.01 0.22 0.00 0.00 0.00 38 Q H H 89.20 5.44 20.62 26.43 91.75 50.44 -64.25 -41.29 0.90 0.00 99.09 0.11 0.05 0.58 99.06 0.20 0.00 0.00 0.00 39 R H H 125.41 2.89 21.69 24.00 91.75 49.82 -64.83 -41.12 0.89 0.00 99.11 0.07 0.05 0.63 99.04 0.21 0.00 0.00 0.00 40 G H H 15.27 10.43 16.90 28.92 91.70 50.86 -63.90 -41.84 1.25 0.00 98.75 0.10 0.06 0.90 98.74 0.21 0.00 0.00 0.00 41 Y H H 76.74 10.94 17.32 28.99 91.76 50.62 -63.52 -41.77 0.87 0.00 99.13 0.09 0.05 0.58 99.12 0.16 0.00 0.00 0.00 42 Y H H 120.39 3.49 19.36 22.91 91.77 49.59 -64.43 -41.60 0.39 0.00 99.61 0.05 0.02 0.25 99.58 0.10 0.00 0.00 0.00 43 R H H 114.37 3.29 18.77 22.06 92.02 49.21 -65.06 -41.52 0.32 0.00 99.68 0.02 0.01 0.22 99.61 0.13 0.00 0.00 0.00 44 Y H H 58.34 10.54 14.72 26.59 93.05 47.28 -65.81 -42.15 0.36 0.00 99.64 0.03 0.02 0.27 99.49 0.19 0.00 0.00 0.00 45 Y H H 85.26 9.81 13.56 24.47 93.07 47.08 -67.47 -39.74 0.75 0.00 99.24 0.05 0.04 0.61 98.93 0.37 0.00 0.00 0.00 46 N H H 104.49 2.48 15.51 18.28 95.23 43.53 -75.30 -33.85 4.23 0.00 95.77 0.09 0.15 4.07 95.13 0.54 0.01 0.00 0.00 47 K H H 134.67 2.11 15.72 17.82 101.59 33.52 -93.62 -33.48 19.78 0.02 80.21 0.20 0.69 19.76 78.60 0.71 0.03 0.00 0.01 48 Y C H 120.52 5.85 13.81 20.82 107.07 22.21 -111.69 -25.05 53.41 0.20 46.40 1.32 5.44 44.74 47.16 1.05 0.08 0.05 0.16 49 V C C 52.99 11.45 11.55 23.61 114.31 31.93 -114.34 93.95 82.64 5.17 12.19 34.87 30.91 16.69 9.86 2.55 0.05 1.96 3.12 50 N C C 103.81 3.81 17.16 21.83 103.14 -139.66 -57.27 68.80 92.01 2.32 5.67 80.74 5.82 5.32 4.20 1.50 0.00 1.38 1.04 51 V C C 47.39 14.48 9.84 24.36 112.93 -170.79 -88.72 129.12 85.34 3.00 11.66 69.88 7.88 7.47 6.63 4.86 0.00 1.57 1.70 52 K C C 129.35 3.72 15.32 20.19 112.50 -134.68 -80.75 126.77 86.01 2.46 11.53 60.67 12.25 13.01 5.88 5.47 0.00 1.20 1.51 53 K C T 136.98 4.65 12.72 19.09 109.13 -112.59 -75.00 128.37 87.08 1.76 11.16 23.47 23.43 40.73 4.75 5.75 0.01 0.83 1.05 54 G C T 54.59 3.14 13.90 17.99 100.67 16.62 84.32 -0.01 92.68 0.91 6.40 24.32 31.02 37.94 2.15 3.63 0.00 0.41 0.52 55 S C S 51.06 4.46 13.48 19.36 125.96 110.12 -97.63 168.02 83.23 2.18 14.60 25.18 53.88 3.50 14.35 0.98 0.01 0.46 1.64 56 I H H 114.75 4.37 13.85 19.67 92.55 -98.22 -61.44 -35.36 7.68 0.05 92.27 1.20 1.72 4.63 91.65 0.74 0.02 0.01 0.03 57 A H H 57.25 4.84 16.06 21.73 92.04 54.05 -64.31 -39.35 3.98 0.02 96.00 0.66 0.46 2.55 95.66 0.64 0.01 0.01 0.01 58 G H H 14.78 9.56 14.64 26.35 91.62 52.19 -63.09 -42.21 1.20 0.00 98.80 0.34 0.13 0.61 98.52 0.39 0.00 0.00 0.00 59 L H H 66.28 8.89 17.28 27.07 92.14 50.02 -64.71 -41.32 0.30 0.00 99.70 0.07 0.02 0.15 99.66 0.11 0.00 0.00 0.00 60 S H H 47.48 6.96 19.14 26.72 92.00 50.49 -64.73 -40.71 0.21 0.00 99.79 0.03 0.01 0.11 99.79 0.05 0.00 0.00 0.00 61 M H H 81.91 7.40 19.76 27.48 92.30 50.59 -65.20 -40.84 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 62 V H H 52.71 10.07 19.12 29.78 92.00 49.86 -64.29 -42.75 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 63 L H H 68.49 8.51 20.56 29.58 91.89 49.83 -64.19 -41.79 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 64 A H H 42.31 7.10 20.07 27.85 91.80 50.75 -63.69 -42.04 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 65 A H H 38.51 7.88 19.88 28.65 91.78 50.89 -64.00 -42.07 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 66 Y H H 88.03 8.91 20.44 29.71 91.96 50.11 -65.03 -41.75 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 67 V H H 56.64 8.39 19.55 28.83 91.81 50.87 -63.97 -42.79 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 68 F H H 94.44 6.46 20.35 27.23 91.73 49.43 -63.95 -42.33 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 69 L H H 68.58 7.32 19.68 27.45 91.93 49.05 -64.75 -41.56 0.14 0.00 99.85 0.01 0.00 0.11 99.84 0.04 0.00 0.00 0.00 70 N H H 61.59 7.62 18.72 27.12 92.17 49.85 -64.85 -40.81 0.68 0.00 99.32 0.03 0.03 0.56 99.25 0.14 0.00 0.00 0.00 71 Y H H 97.16 6.66 18.52 26.07 92.26 49.80 -65.02 -41.16 1.30 0.00 98.69 0.07 0.07 1.09 98.41 0.36 0.00 0.00 0.00 72 C H H 54.11 5.90 18.05 24.71 91.93 50.81 -64.34 -41.76 1.83 0.00 98.17 0.14 0.12 1.45 97.57 0.73 0.00 0.00 0.00 73 R H H 108.55 4.93 18.42 23.60 92.25 49.89 -65.44 -40.45 4.57 0.01 95.42 0.24 0.27 3.89 94.27 1.33 0.00 0.00 0.00 74 S H H 46.26 5.84 16.29 23.47 92.44 49.96 -67.49 -36.42 13.60 0.02 86.38 0.80 0.76 11.70 85.31 1.38 0.01 0.01 0.01 75 Y H H 102.04 5.86 15.73 22.76 93.04 52.80 -67.60 -35.10 10.19 0.04 89.77 2.49 1.50 5.86 88.52 1.60 0.00 0.01 0.02 76 K H H 114.26 3.16 17.13 20.47 92.12 53.34 -63.84 -40.79 2.89 0.01 97.10 0.52 0.31 1.80 94.89 2.46 0.00 0.00 0.00 77 E H H 96.81 3.34 16.54 20.33 92.18 50.41 -65.03 -40.91 2.57 0.01 97.43 0.37 0.23 1.75 95.13 2.52 0.00 0.00 0.00 78 L H H 71.82 4.50 15.16 21.02 92.29 49.43 -65.51 -41.17 2.60 0.01 97.39 0.48 0.27 1.61 95.38 2.24 0.00 0.00 0.00 79 K H H 105.35 3.07 15.65 19.40 91.81 50.53 -63.95 -41.08 3.03 0.01 96.96 0.63 0.33 1.81 95.73 1.49 0.00 0.00 0.00 80 H H H 102.11 2.41 15.08 17.69 92.08 49.66 -65.30 -40.52 4.24 0.01 95.75 0.87 0.38 2.65 94.50 1.59 0.00 0.01 0.00 81 E H H 95.30 2.51 14.37 17.42 92.02 50.79 -64.57 -40.67 3.60 0.01 96.38 0.82 0.41 2.11 94.72 1.93 0.00 0.01 0.00 82 R H H 119.64 2.74 13.05 16.60 91.93 50.76 -64.29 -40.46 4.02 0.01 95.97 0.84 0.41 2.47 93.10 3.17 0.00 0.01 0.01 83 L H H 93.89 2.28 11.78 15.04 92.21 50.51 -65.52 -38.79 4.77 0.02 95.22 0.81 0.40 3.10 89.56 6.11 0.00 0.01 0.00 84 R H H 152.52 1.48 10.95 12.97 92.59 51.04 -67.23 -35.80 8.66 0.02 91.32 1.12 0.71 6.06 82.05 10.03 0.01 0.01 0.01 85 K H H 145.32 1.39 10.44 12.27 94.22 51.22 -70.66 -30.60 24.28 0.08 75.65 2.27 1.81 18.94 67.19 9.67 0.03 0.03 0.05 86 Y C H 163.20 1.77 9.12 11.86 99.87 42.57 -93.41 -5.91 49.92 0.23 49.85 16.40 2.02 30.87 45.45 4.99 0.00 0.09 0.18 87 H C C 125.72 3.89 9.38 15.00 106.24 80.36 -84.88 80.69 99.94 0.03 0.03 99.81 0.08 0.07 0.02 0.00 0.00 0.01 0.01