# 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 96.60 9.47 12.59 22.84 117.64 -159.61 -98.10 134.07 99.91 0.08 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.03 0.01 1 L C C 98.85 6.11 12.52 20.18 115.30 -145.42 -94.26 127.79 93.64 5.83 0.52 91.69 1.43 1.03 0.26 0.16 0.00 2.67 2.76 2 K C C 119.27 7.33 13.30 22.19 115.35 -150.80 -102.92 121.09 94.91 4.77 0.32 72.64 21.77 0.91 0.14 0.16 0.00 2.87 1.50 3 P C C 41.58 12.11 12.72 25.86 116.37 -122.17 -71.71 151.82 97.68 1.97 0.35 92.61 4.78 0.57 0.18 0.12 0.00 1.14 0.61 4 S C C 50.78 4.44 20.05 24.61 117.07 -111.03 -74.31 155.47 91.34 7.85 0.81 89.56 1.40 0.30 0.66 0.12 0.00 1.93 6.02 5 I H H 51.66 17.00 11.92 28.42 92.38 -116.53 -60.60 -37.45 2.87 0.02 97.11 0.71 0.57 1.51 96.24 0.95 0.00 0.01 0.01 6 N H H 103.33 2.54 17.66 20.57 92.00 55.02 -63.69 -38.87 1.33 0.01 98.67 0.16 0.14 0.93 97.59 1.17 0.00 0.00 0.00 7 E H H 92.58 3.46 17.81 21.63 92.26 49.78 -66.02 -39.38 0.81 0.01 99.19 0.11 0.07 0.54 97.72 1.55 0.00 0.00 0.00 8 V H H 11.79 18.76 11.75 30.73 92.68 51.07 -65.06 -41.08 0.88 0.01 99.11 0.13 0.09 0.58 97.84 1.36 0.00 0.01 0.00 9 L H H 65.28 11.30 13.66 25.73 91.61 54.57 -65.38 -33.40 3.06 0.02 96.92 0.30 0.23 2.40 93.41 3.63 0.01 0.01 0.01 10 E H H 151.38 0.88 18.39 17.24 92.25 54.62 -70.25 -27.65 12.15 0.02 87.83 0.37 0.49 11.73 84.44 2.92 0.02 0.01 0.01 11 K H H 113.31 5.30 15.48 21.78 98.79 40.44 -91.08 -26.16 17.23 0.03 82.73 0.50 1.18 15.78 81.16 1.31 0.03 0.01 0.02 12 I C C 34.18 15.92 8.56 24.02 128.58 39.99 -129.55 150.33 78.54 0.68 20.78 51.26 17.16 7.21 22.78 0.80 0.01 0.16 0.63 13 D C S 125.07 1.12 17.01 17.29 95.86 -141.53 -77.68 -16.68 99.11 0.22 0.67 31.83 59.37 7.96 0.43 0.21 0.00 0.09 0.11 14 N C C 67.56 4.45 17.79 23.25 136.35 18.41 -146.39 156.03 96.62 1.40 1.97 48.64 46.17 1.53 1.75 0.27 0.00 0.27 1.37 15 R H H 111.38 12.80 13.71 26.56 92.60 -116.41 -61.95 -36.12 1.40 0.00 98.59 0.14 0.21 0.93 98.46 0.25 0.00 0.00 0.00 16 Y H H 143.90 3.86 19.14 23.31 91.49 54.45 -63.57 -41.11 0.68 0.00 99.31 0.05 0.05 0.53 99.11 0.26 0.00 0.00 0.00 17 Y H H 100.18 6.03 20.57 27.25 91.71 48.19 -65.63 -41.03 0.17 0.00 99.83 0.02 0.01 0.11 99.65 0.20 0.00 0.00 0.00 18 L H H 13.27 20.02 16.50 36.63 91.57 50.52 -63.21 -43.41 0.07 0.00 99.93 0.01 0.00 0.04 99.90 0.05 0.00 0.00 0.00 19 V H H 41.75 13.62 21.41 34.97 91.60 49.16 -64.21 -42.57 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 20 G H H 33.05 4.39 25.31 29.40 91.30 49.94 -64.20 -42.29 0.19 0.00 99.81 0.01 0.01 0.14 99.82 0.02 0.00 0.00 0.00 21 T H H 27.51 12.02 23.06 35.76 91.54 49.21 -64.42 -42.87 0.36 0.00 99.64 0.02 0.01 0.29 99.66 0.02 0.00 0.00 0.00 22 V H H 8.71 22.15 20.50 42.31 91.79 49.75 -63.97 -42.74 0.30 0.00 99.70 0.04 0.02 0.19 99.73 0.02 0.00 0.00 0.00 23 S H H 38.53 10.25 23.79 34.27 91.35 51.21 -62.92 -42.36 0.16 0.00 99.84 0.03 0.01 0.08 99.87 0.01 0.00 0.00 0.00 24 K H H 105.11 3.52 26.90 30.09 91.54 49.65 -64.03 -41.91 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 25 R H H 43.68 14.87 22.24 36.97 91.61 49.49 -64.55 -42.00 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 26 A H H 9.84 19.39 18.30 37.79 91.51 52.37 -62.48 -42.58 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 27 R H H 118.55 4.11 24.05 27.77 91.43 50.59 -63.33 -41.58 0.10 0.00 99.90 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 28 K H H 88.35 4.60 21.40 26.23 91.69 50.10 -64.61 -41.43 0.24 0.00 99.76 0.02 0.01 0.17 99.70 0.11 0.00 0.00 0.00 29 L H H 21.52 16.69 13.92 31.09 92.28 50.61 -64.73 -41.25 0.70 0.00 99.30 0.07 0.04 0.50 99.12 0.27 0.00 0.00 0.00 30 I H H 78.49 10.49 15.25 26.32 91.40 51.26 -66.48 -33.19 4.90 0.01 95.09 0.23 0.23 4.25 94.90 0.39 0.01 0.00 0.00 31 D C T 112.65 1.31 16.41 16.67 93.75 53.15 -83.99 -4.19 70.00 0.03 29.97 0.74 1.81 64.82 31.95 0.64 0.00 0.01 0.03 32 G C T 53.64 3.50 12.38 17.49 98.30 -105.03 84.56 7.09 97.34 0.04 2.62 5.23 5.44 86.56 2.42 0.31 0.00 0.01 0.03 33 E C C 107.15 4.04 11.93 17.98 118.26 140.66 -84.00 148.74 98.91 0.34 0.75 67.72 29.41 1.77 0.34 0.31 0.00 0.10 0.35 34 E C C 142.77 2.49 15.69 19.28 112.94 -96.20 -77.48 134.51 99.14 0.28 0.58 80.02 17.75 1.39 0.20 0.32 0.00 0.12 0.20 35 P C C 50.89 15.59 9.96 24.89 113.84 -110.96 -67.15 145.68 96.87 0.51 2.62 89.02 4.32 3.71 0.72 1.65 0.00 0.23 0.34 36 Y C C 147.66 4.62 16.78 22.29 97.82 -142.39 -81.33 -14.87 96.48 1.13 2.39 47.14 41.28 7.95 0.71 1.65 0.00 0.41 0.86 37 V C C 46.42 13.31 10.04 23.76 119.93 65.83 -110.78 132.56 94.34 2.81 2.85 47.89 40.86 5.39 1.17 1.54 0.00 0.97 2.18 38 S C C 79.60 3.15 15.32 19.50 111.70 -145.61 -89.91 130.38 95.97 1.12 2.90 75.05 15.77 5.06 1.11 1.80 0.00 0.57 0.64 39 N C C 85.90 8.37 9.97 19.42 111.44 -139.29 -101.63 104.09 88.11 1.23 10.66 64.14 13.96 9.37 3.10 7.98 0.00 0.58 0.87 40 K C C 143.60 3.17 11.86 16.60 101.74 135.42 -81.90 -9.53 79.50 0.84 19.66 39.04 19.49 20.65 4.70 15.14 0.00 0.37 0.61 41 T C C 92.31 3.63 11.65 16.70 101.56 60.23 -87.88 -0.31 78.42 0.81 20.77 37.83 17.11 23.28 4.44 16.41 0.00 0.36 0.56 42 K C C 108.81 8.11 10.66 19.82 107.38 88.51 -88.51 83.28 84.45 0.56 14.99 49.32 15.79 18.75 3.74 11.72 0.00 0.25 0.44 43 E C C 133.90 3.76 14.79 19.55 100.20 126.69 -84.11 -9.72 92.40 0.41 7.18 52.36 25.90 14.03 2.47 4.68 0.00 0.14 0.40 44 K C C 94.06 6.69 17.01 24.75 114.95 90.04 -96.33 128.53 97.41 0.41 2.18 65.35 31.12 0.63 2.27 0.19 0.00 0.08 0.37 45 P H H 40.75 15.83 16.47 32.48 92.84 -131.88 -60.00 -36.96 2.76 0.00 97.23 0.53 0.37 1.58 97.19 0.33 0.00 0.00 0.00 46 V H H 34.97 17.40 20.03 36.63 91.98 53.47 -64.49 -40.73 1.14 0.00 98.86 0.16 0.08 0.73 98.77 0.26 0.00 0.00 0.00 47 C H H 38.57 8.31 23.70 32.86 91.67 49.94 -64.30 -42.08 0.32 0.00 99.67 0.06 0.02 0.18 99.55 0.18 0.00 0.00 0.00 48 V H H 29.17 11.48 23.76 36.08 91.52 49.54 -63.89 -43.04 0.04 0.00 99.96 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 49 A H H 5.40 21.64 20.46 42.27 91.40 50.61 -63.05 -43.54 0.03 0.00 99.97 0.00 0.00 0.01 99.97 0.01 0.00 0.00 0.00 50 T H H 28.77 15.17 23.53 38.39 91.71 49.64 -63.68 -42.46 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 51 K H H 93.08 5.56 26.08 31.91 91.79 49.49 -64.75 -41.75 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 52 E H H 24.90 13.04 19.88 34.19 91.78 49.64 -63.89 -42.76 0.10 0.00 99.90 0.00 0.00 0.07 99.89 0.03 0.00 0.00 0.00 53 V H H 18.92 18.63 16.20 34.97 91.89 48.60 -64.14 -43.11 0.26 0.00 99.74 0.01 0.01 0.21 99.67 0.10 0.00 0.00 0.00 54 A H H 59.10 8.25 17.72 26.72 90.86 51.25 -64.62 -32.90 2.45 0.00 97.55 0.03 0.05 2.52 97.23 0.16 0.00 0.00 0.00 55 S C T 71.28 3.00 17.48 20.72 91.41 52.52 -84.65 -5.24 82.57 0.01 17.42 0.12 0.53 81.32 17.77 0.26 0.00 0.00 0.01 56 G C T 49.22 5.42 14.92 21.96 93.75 -113.44 78.01 13.84 99.80 0.00 0.19 0.26 0.89 98.75 0.08 0.02 0.00 0.00 0.00 57 K C S 105.20 6.24 17.03 24.58 94.84 123.99 -81.33 -19.05 99.66 0.26 0.08 21.96 76.54 1.24 0.02 0.05 0.00 0.12 0.07 58 I C C 21.70 20.94 10.98 31.26 127.39 46.14 -126.05 141.57 72.99 26.78 0.23 37.52 37.00 1.31 0.08 0.17 0.00 19.83 4.10 59 T C C 72.50 4.61 23.10 28.10 126.46 -166.91 -124.33 142.75 61.14 38.79 0.07 58.76 1.87 0.16 0.02 0.05 0.00 37.26 1.89 60 Y C C 78.88 19.20 12.15 29.95 120.64 -149.39 -108.26 133.56 58.51 41.37 0.13 56.91 1.46 0.16 0.05 0.06 0.00 39.80 1.56 61 R C C 134.15 3.90 18.31 23.43 123.52 -171.27 -121.81 137.03 66.33 33.46 0.21 63.62 2.31 0.24 0.10 0.11 0.00 31.70 1.92 62 L C C 100.73 7.26 13.44 22.37 114.14 -121.28 -82.74 131.87 81.72 17.72 0.56 78.87 2.22 0.42 0.27 0.24 0.00 16.24 1.74 63 L C C 55.83 11.81 9.00 21.51 115.59 -136.27 -88.19 144.14 96.72 1.54 1.74 94.00 2.44 0.69 1.16 0.35 0.00 1.02 0.34 64 T C C 86.90 1.86 14.47 16.07 112.28 -121.42 -81.01 162.92 91.87 0.53 7.61 87.09 3.33 1.64 6.72 0.77 0.00 0.23 0.23 65 E H H 129.94 2.88 11.51 15.81 94.35 -99.13 -61.95 -38.74 14.61 0.12 85.27 8.96 2.88 3.58 81.58 2.90 0.00 0.06 0.04 66 E H H 127.31 1.45 13.21 14.56 92.89 52.71 -65.82 -39.02 7.23 0.08 92.70 3.43 1.20 2.79 89.55 2.96 0.00 0.04 0.02 67 E H H 92.86 3.68 13.13 18.17 92.48 50.83 -65.92 -39.59 4.66 0.07 95.27 2.43 0.66 1.69 92.40 2.76 0.00 0.05 0.01 68 I H H 67.38 5.26 12.40 19.67 91.94 50.99 -64.51 -41.54 2.82 0.04 97.14 1.48 0.40 0.96 96.13 1.00 0.00 0.02 0.01 69 E H H 104.34 2.25 15.65 18.03 91.93 50.65 -64.43 -41.15 2.05 0.03 97.92 0.98 0.25 0.73 97.59 0.43 0.00 0.01 0.00 70 I H H 88.16 2.37 15.30 17.93 92.01 49.63 -64.66 -41.68 1.72 0.02 98.26 0.72 0.20 0.67 98.06 0.33 0.00 0.01 0.00 71 E H H 93.32 3.41 15.42 19.69 91.89 49.72 -64.49 -41.12 1.19 0.01 98.80 0.41 0.14 0.51 98.71 0.23 0.00 0.00 0.00 72 E H H 95.49 3.11 15.32 19.22 91.76 50.18 -64.42 -40.87 1.17 0.01 98.82 0.35 0.12 0.54 98.80 0.19 0.00 0.00 0.00 73 A H H 55.98 2.39 15.31 18.09 91.67 50.60 -64.15 -41.13 1.24 0.01 98.76 0.34 0.12 0.59 98.74 0.20 0.00 0.00 0.00 74 R H H 133.08 2.01 15.79 17.69 92.05 50.08 -65.00 -40.94 1.49 0.01 98.50 0.41 0.16 0.74 98.47 0.22 0.00 0.00 0.00 75 H H H 100.90 2.77 14.92 18.31 92.14 49.56 -65.06 -40.99 1.93 0.02 98.05 0.58 0.20 0.93 98.04 0.23 0.00 0.01 0.00 76 H H H 108.31 2.26 15.37 17.79 91.93 50.04 -64.64 -41.09 1.74 0.01 98.25 0.55 0.20 0.80 98.20 0.24 0.00 0.00 0.00 77 A H H 57.26 2.09 14.83 17.10 91.63 50.31 -64.07 -41.10 2.11 0.01 97.87 0.66 0.22 1.02 97.77 0.32 0.00 0.01 0.00 78 E H H 103.53 1.91 14.89 16.71 92.05 49.96 -65.14 -40.44 2.59 0.02 97.40 0.77 0.29 1.31 97.19 0.43 0.00 0.01 0.00 79 Q H H 97.49 2.48 13.91 17.01 92.22 50.66 -65.31 -40.33 3.30 0.02 96.68 1.02 0.40 1.68 96.26 0.62 0.00 0.01 0.00 80 H H H 110.77 2.08 13.73 16.12 92.25 50.49 -65.75 -39.47 5.78 0.05 94.17 2.01 0.70 2.91 93.21 1.13 0.00 0.02 0.02 81 Q H H 107.74 1.62 13.51 15.04 92.31 51.82 -65.60 -39.58 10.45 0.11 89.44 3.76 1.38 5.32 87.64 1.80 0.01 0.06 0.04 82 Q H H 106.03 1.96 12.60 14.96 92.97 51.01 -66.99 -38.14 19.91 0.28 79.81 8.02 2.52 9.78 77.42 1.99 0.01 0.14 0.12 83 I H H 99.02 2.46 10.71 14.27 93.62 52.70 -68.61 -36.11 23.71 0.41 75.88 12.31 4.09 7.99 72.69 2.56 0.01 0.19 0.17 84 S H H 75.78 1.69 10.28 12.69 95.34 55.41 -70.21 -32.33 34.32 0.62 65.06 18.33 4.83 11.94 60.45 3.87 0.02 0.29 0.28 85 E C H 143.71 1.22 9.18 11.01 96.71 57.34 -75.04 -22.67 49.72 0.97 49.30 24.64 6.56 19.53 43.58 4.74 0.02 0.46 0.47 86 E C C 141.17 1.68 7.90 10.82 101.03 66.09 -81.56 -3.45 69.46 0.67 29.87 51.53 1.65 15.80 27.80 2.54 0.00 0.32 0.36 87 E C C 139.11 2.20 10.12 13.68 105.71 66.62 -81.22 58.08 99.91 0.03 0.07 99.75 0.08 0.11 0.04 0.00 0.00 0.01 0.00