# 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 118.21 3.96 11.56 16.99 108.88 -156.72 -88.11 108.82 99.94 0.02 0.04 99.88 0.05 0.04 0.02 0.00 0.00 0.01 0.00 1 I C C 103.64 4.23 8.80 14.78 110.17 89.84 -89.09 114.45 74.49 0.94 24.57 68.48 1.10 3.57 25.25 0.82 0.00 0.38 0.39 2 N C C 99.91 2.23 9.92 13.22 108.93 -135.24 -82.86 131.67 61.98 1.29 36.72 50.26 5.27 4.00 38.46 1.01 0.00 0.50 0.51 3 I H H 114.51 2.04 9.63 12.80 94.97 -119.57 -66.66 -37.56 8.75 0.10 91.14 4.91 1.41 2.51 90.26 0.83 0.00 0.05 0.04 4 Q H H 118.64 1.48 11.93 13.62 92.89 52.35 -65.55 -40.26 3.45 0.04 96.51 1.61 0.52 1.35 95.81 0.68 0.00 0.02 0.01 5 R H H 134.79 1.87 12.84 15.12 92.68 50.06 -66.01 -40.01 2.06 0.02 97.91 0.95 0.29 0.86 97.30 0.59 0.00 0.01 0.01 6 S H H 55.27 2.71 12.83 16.63 92.29 51.11 -64.76 -41.05 1.82 0.02 98.16 0.82 0.23 0.78 97.78 0.36 0.00 0.01 0.01 7 I H H 92.36 1.89 14.28 16.18 92.00 50.15 -64.57 -41.57 1.30 0.01 98.69 0.49 0.14 0.56 98.63 0.17 0.00 0.00 0.00 8 K H H 115.74 1.74 15.33 16.70 92.12 50.53 -64.27 -41.21 1.09 0.00 98.90 0.37 0.10 0.48 98.92 0.13 0.00 0.00 0.00 9 L H H 82.70 2.77 14.62 18.15 91.98 49.94 -64.43 -41.60 0.95 0.00 99.04 0.25 0.09 0.46 99.09 0.10 0.00 0.00 0.00 10 N H H 86.94 2.24 15.40 17.80 91.86 50.35 -64.65 -40.33 0.95 0.00 99.04 0.25 0.08 0.46 99.12 0.09 0.00 0.00 0.00 11 E H H 105.75 1.74 15.73 16.90 91.90 50.40 -64.96 -40.85 0.98 0.00 99.02 0.25 0.08 0.48 99.10 0.09 0.00 0.00 0.00 12 K H H 117.96 1.94 15.58 17.37 91.97 50.62 -64.69 -41.38 0.78 0.00 99.22 0.16 0.06 0.40 99.29 0.08 0.00 0.00 0.00 13 Y H H 126.07 2.47 14.93 17.83 92.11 49.49 -65.16 -41.18 0.70 0.00 99.30 0.15 0.05 0.36 99.36 0.07 0.00 0.00 0.00 14 Q H H 98.26 1.84 15.80 17.22 91.81 50.36 -64.19 -41.68 0.61 0.00 99.38 0.13 0.05 0.31 99.45 0.07 0.00 0.00 0.00 15 Q H H 104.18 1.65 16.48 17.30 91.92 49.71 -64.51 -41.23 0.54 0.00 99.45 0.10 0.04 0.28 99.52 0.06 0.00 0.00 0.00 16 A H H 51.86 3.07 14.59 18.65 91.86 50.67 -64.13 -40.90 0.46 0.00 99.54 0.07 0.03 0.25 99.59 0.06 0.00 0.00 0.00 17 E H H 104.52 2.18 15.90 18.09 91.76 50.40 -64.37 -40.94 0.47 0.00 99.53 0.08 0.03 0.25 99.58 0.06 0.00 0.00 0.00 18 Q H H 104.05 1.62 16.46 17.21 91.87 50.22 -64.50 -41.38 0.50 0.00 99.50 0.08 0.03 0.27 99.56 0.06 0.00 0.00 0.00 19 Y H H 125.51 2.02 15.57 17.46 91.92 49.33 -65.12 -41.31 0.60 0.00 99.40 0.10 0.04 0.33 99.46 0.07 0.00 0.00 0.00 20 S H H 55.00 2.82 14.51 18.13 91.90 50.36 -64.39 -41.12 0.70 0.00 99.30 0.13 0.05 0.37 99.36 0.09 0.00 0.00 0.00 21 K H H 126.55 1.52 15.83 16.68 91.81 50.27 -64.62 -40.66 0.95 0.00 99.05 0.17 0.07 0.53 99.11 0.12 0.00 0.00 0.00 22 K H H 127.26 1.50 15.87 16.67 92.03 50.10 -64.71 -41.00 1.16 0.00 98.84 0.21 0.10 0.66 98.90 0.13 0.00 0.00 0.00 23 L H H 93.08 2.25 15.22 17.61 91.97 49.43 -65.14 -40.91 1.11 0.00 98.89 0.23 0.10 0.60 98.93 0.14 0.00 0.00 0.00 24 E H H 109.63 1.89 15.79 17.39 91.96 49.99 -64.86 -40.60 1.25 0.00 98.75 0.25 0.11 0.68 98.81 0.14 0.00 0.00 0.00 25 G H H 35.69 2.32 15.37 17.94 92.08 50.36 -64.09 -41.54 1.91 0.00 98.08 0.34 0.16 1.11 98.22 0.17 0.00 0.00 0.00 26 I H H 93.23 2.23 15.39 17.72 92.16 49.75 -65.33 -40.95 1.09 0.00 98.90 0.22 0.10 0.57 98.98 0.13 0.00 0.00 0.00 27 S H H 61.19 2.24 15.46 17.83 92.09 50.84 -64.56 -40.66 0.79 0.00 99.21 0.17 0.06 0.38 99.26 0.12 0.00 0.00 0.00 28 R H H 143.01 1.50 16.25 16.88 92.36 49.82 -65.52 -40.62 0.90 0.00 99.10 0.16 0.07 0.51 99.12 0.14 0.00 0.00 0.00 29 I H H 93.59 2.17 15.39 17.58 92.32 49.09 -65.26 -41.61 0.72 0.00 99.28 0.12 0.06 0.40 99.31 0.11 0.00 0.00 0.00 30 T H H 65.73 2.61 14.54 17.84 91.85 50.75 -64.08 -41.75 0.91 0.00 99.09 0.17 0.07 0.49 99.11 0.15 0.00 0.00 0.00 31 N H H 94.60 1.68 15.79 16.88 92.08 50.37 -64.70 -41.01 1.67 0.00 98.33 0.26 0.12 1.06 98.22 0.33 0.00 0.00 0.00 32 W H H 142.04 1.87 14.67 16.43 92.19 50.12 -64.52 -41.66 2.10 0.01 97.89 0.36 0.18 1.34 97.58 0.53 0.00 0.00 0.00 33 H H H 114.39 1.89 14.56 16.42 92.10 49.92 -65.53 -40.27 3.44 0.01 96.55 0.72 0.35 2.09 96.11 0.72 0.00 0.00 0.00 34 E H H 107.73 1.84 14.27 16.07 92.05 50.38 -65.86 -39.18 8.94 0.03 91.04 1.51 0.93 5.86 90.52 1.16 0.01 0.01 0.01 35 T H H 78.52 1.99 13.81 15.95 92.68 50.70 -67.61 -36.36 20.21 0.07 79.72 4.49 2.41 12.71 78.47 1.84 0.01 0.02 0.04 36 K H H 122.72 2.25 13.27 16.13 93.01 54.85 -66.88 -37.01 24.18 0.18 75.64 11.16 4.19 9.28 70.80 4.39 0.01 0.07 0.09 37 V H H 90.51 2.23 13.12 15.83 93.31 53.66 -67.58 -37.11 26.12 0.34 73.54 13.38 4.02 9.47 66.90 5.90 0.01 0.17 0.15 38 K H H 137.50 1.55 13.62 15.07 93.98 52.34 -69.17 -34.14 30.40 0.47 69.13 16.27 4.63 10.54 62.25 5.85 0.01 0.23 0.21 39 Y H H 133.14 3.24 12.06 16.35 96.98 51.72 -75.06 -31.15 35.20 0.51 64.29 20.32 6.90 8.89 59.79 3.64 0.01 0.21 0.24 40 D H H 87.30 2.83 12.83 16.56 97.58 58.55 -71.62 -33.84 42.48 0.35 57.17 27.38 5.46 8.72 55.92 2.21 0.00 0.14 0.16 41 N H H 102.84 1.97 13.45 15.56 95.86 50.84 -68.84 -34.48 28.94 0.20 70.85 13.59 5.94 9.81 67.68 2.79 0.01 0.08 0.10 42 A H H 63.21 2.20 13.31 15.92 93.48 54.88 -66.02 -39.86 22.29 0.11 77.60 7.55 4.05 10.41 75.36 2.53 0.01 0.04 0.06 43 N H H 88.83 2.63 13.63 16.91 93.17 50.66 -67.64 -38.06 16.39 0.08 83.53 7.76 2.49 6.08 81.77 1.81 0.00 0.03 0.04 44 Q H H 102.12 2.26 13.99 16.74 92.21 52.15 -65.40 -40.18 4.49 0.02 95.49 1.84 0.65 1.76 94.93 0.81 0.00 0.01 0.01 45 N H H 93.77 1.69 14.84 16.16 92.45 50.59 -65.45 -40.23 3.05 0.01 96.93 1.13 0.35 1.35 96.51 0.65 0.00 0.01 0.00 46 K H H 118.30 1.84 15.10 16.65 92.28 50.21 -65.01 -40.97 1.95 0.01 98.04 0.69 0.22 0.89 97.75 0.44 0.00 0.00 0.00 47 Y H H 124.94 2.22 14.79 17.24 92.23 49.99 -64.98 -41.03 1.43 0.00 98.56 0.46 0.15 0.65 98.50 0.24 0.00 0.00 0.00 48 A H H 57.49 2.34 14.88 17.61 91.82 50.47 -63.87 -40.99 1.27 0.00 98.73 0.37 0.11 0.61 98.74 0.18 0.00 0.00 0.00 49 R H H 141.26 1.55 15.71 16.62 91.82 50.27 -64.74 -40.74 0.86 0.00 99.14 0.19 0.07 0.44 99.18 0.12 0.00 0.00 0.00 50 K H H 117.72 1.85 15.60 17.14 92.02 50.07 -64.78 -41.04 0.89 0.00 99.10 0.20 0.07 0.44 99.18 0.10 0.00 0.00 0.00 51 M H H 99.93 2.20 15.54 17.77 91.90 49.78 -64.50 -41.38 0.71 0.00 99.29 0.15 0.05 0.35 99.35 0.09 0.00 0.00 0.00 52 I H H 92.34 2.14 15.66 17.72 91.69 49.58 -64.03 -41.48 0.45 0.00 99.55 0.08 0.03 0.22 99.61 0.06 0.00 0.00 0.00 53 D H H 80.51 2.05 15.96 17.81 91.67 50.17 -64.33 -41.04 0.37 0.00 99.63 0.06 0.02 0.20 99.67 0.05 0.00 0.00 0.00 54 Q H H 96.89 2.12 15.76 17.77 91.76 50.27 -64.29 -40.96 0.33 0.00 99.67 0.04 0.02 0.19 99.70 0.05 0.00 0.00 0.00 55 E H H 103.56 2.17 15.67 17.74 91.77 50.51 -64.21 -40.77 0.33 0.00 99.67 0.04 0.02 0.20 99.69 0.05 0.00 0.00 0.00 56 M H H 101.60 2.10 15.65 17.68 91.76 50.06 -64.37 -41.00 0.34 0.00 99.66 0.05 0.02 0.20 99.68 0.06 0.00 0.00 0.00 57 K H H 119.77 1.79 16.20 17.55 91.75 50.04 -64.12 -41.45 0.56 0.00 99.44 0.07 0.03 0.36 99.46 0.08 0.00 0.00 0.00 58 Y H H 126.99 1.98 16.19 17.75 91.66 49.71 -64.36 -40.91 0.90 0.00 99.10 0.13 0.05 0.58 99.12 0.12 0.00 0.00 0.00 59 A H H 54.12 2.67 15.32 18.45 91.48 50.69 -63.62 -41.23 0.99 0.00 99.01 0.19 0.06 0.58 99.04 0.13 0.00 0.00 0.00 60 L H H 92.62 2.17 16.06 18.13 91.72 50.27 -64.42 -40.63 0.92 0.00 99.08 0.18 0.06 0.53 99.11 0.12 0.00 0.00 0.00 61 K H H 117.77 1.81 16.53 17.77 91.82 50.30 -64.58 -41.00 0.35 0.00 99.65 0.06 0.02 0.19 99.67 0.06 0.00 0.00 0.00 62 E H H 101.44 2.34 16.08 18.33 91.80 50.09 -64.29 -41.27 0.30 0.00 99.70 0.05 0.02 0.16 99.72 0.05 0.00 0.00 0.00 63 V H H 80.18 2.51 15.72 18.46 91.58 50.00 -64.32 -41.23 0.28 0.00 99.72 0.06 0.02 0.15 99.73 0.04 0.00 0.00 0.00 64 K H H 116.37 1.95 16.42 18.03 91.64 50.43 -64.28 -40.74 0.31 0.00 99.69 0.07 0.02 0.16 99.71 0.04 0.00 0.00 0.00 65 M H H 99.37 2.14 16.39 18.26 91.80 50.15 -64.31 -41.22 0.33 0.00 99.66 0.06 0.02 0.18 99.69 0.04 0.00 0.00 0.00 66 V H H 77.58 2.62 15.86 18.71 91.71 49.72 -64.01 -41.93 0.30 0.00 99.70 0.07 0.02 0.15 99.72 0.03 0.00 0.00 0.00 67 R H H 126.36 2.14 16.32 18.30 91.71 49.77 -64.04 -41.64 0.33 0.00 99.67 0.08 0.02 0.18 99.68 0.04 0.00 0.00 0.00 68 N H H 87.84 2.01 16.61 18.25 91.67 49.76 -64.13 -40.90 0.59 0.00 99.41 0.07 0.03 0.39 99.45 0.06 0.00 0.00 0.00 69 V H H 73.55 2.48 15.98 18.65 91.63 50.09 -64.01 -41.41 0.66 0.00 99.34 0.11 0.05 0.39 99.40 0.06 0.00 0.00 0.00 70 K H H 114.02 2.11 16.21 18.08 91.75 50.53 -64.24 -41.00 0.59 0.00 99.41 0.13 0.03 0.30 99.47 0.07 0.00 0.00 0.00 71 L H H 90.99 2.18 15.56 17.78 91.65 49.96 -64.10 -40.85 0.43 0.00 99.57 0.08 0.02 0.23 99.58 0.08 0.00 0.00 0.00 72 K H H 116.61 1.98 15.94 17.76 91.58 50.49 -64.09 -40.84 0.30 0.00 99.70 0.04 0.01 0.17 99.71 0.07 0.00 0.00 0.00 73 E H H 105.29 1.90 16.05 17.50 91.57 49.96 -64.48 -41.04 0.31 0.00 99.69 0.03 0.01 0.18 99.72 0.06 0.00 0.00 0.00 74 L H H 87.91 2.28 15.54 17.87 91.67 50.51 -63.48 -41.82 0.26 0.00 99.74 0.03 0.01 0.16 99.75 0.05 0.00 0.00 0.00 75 Y H H 123.82 2.52 15.09 17.95 91.75 49.30 -64.24 -41.25 0.28 0.00 99.72 0.03 0.01 0.17 99.73 0.05 0.00 0.00 0.00 76 E H H 105.21 2.07 15.65 17.68 91.69 50.08 -64.48 -40.99 0.32 0.00 99.68 0.04 0.02 0.20 99.70 0.05 0.00 0.00 0.00 77 Q H H 104.23 1.64 16.49 17.22 91.78 49.53 -64.61 -41.06 0.45 0.00 99.55 0.04 0.03 0.30 99.55 0.08 0.00 0.00 0.00 78 E H H 96.81 2.58 15.67 18.44 91.92 49.63 -64.48 -40.90 0.90 0.00 99.10 0.08 0.05 0.65 99.08 0.15 0.00 0.00 0.00 79 A H H 49.15 4.10 14.20 19.78 91.79 50.75 -64.39 -40.48 1.73 0.00 98.27 0.13 0.09 1.31 98.23 0.25 0.00 0.00 0.00 80 K H H 120.50 1.77 16.34 17.63 91.91 51.13 -64.41 -40.69 2.64 0.00 97.36 0.21 0.17 2.00 97.35 0.27 0.00 0.00 0.00 81 Q H H 102.52 1.67 16.77 17.48 91.96 50.21 -64.58 -41.19 1.05 0.00 98.95 0.16 0.08 0.63 99.01 0.13 0.00 0.00 0.00 82 W H H 120.16 4.04 14.89 19.96 92.23 49.64 -64.94 -41.29 0.58 0.00 99.42 0.10 0.04 0.32 99.43 0.11 0.00 0.00 0.00 83 E H H 89.35 4.63 14.58 20.43 91.90 50.87 -63.89 -40.90 0.39 0.00 99.61 0.07 0.02 0.21 99.62 0.08 0.00 0.00 0.00 84 Q H H 105.52 1.40 16.73 16.87 91.75 50.11 -64.15 -41.61 0.44 0.00 99.56 0.05 0.02 0.26 99.57 0.10 0.00 0.00 0.00 85 E H H 97.74 2.12 15.52 17.51 92.11 49.70 -64.72 -41.15 0.86 0.00 99.14 0.10 0.05 0.55 99.08 0.21 0.00 0.00 0.00 86 L H H 51.00 6.56 10.91 19.65 92.14 50.27 -65.00 -41.05 1.64 0.01 98.35 0.25 0.12 1.10 97.66 0.86 0.00 0.00 0.00 87 S H H 67.41 2.98 12.11 16.37 92.33 51.68 -64.77 -39.23 3.35 0.01 96.64 0.33 0.17 2.58 94.81 2.10 0.00 0.00 0.00 88 Q H H 148.25 0.67 12.68 12.25 91.14 53.42 -66.73 -27.70 15.20 0.02 84.78 0.46 0.52 14.58 82.00 2.41 0.01 0.01 0.01 89 K C T 139.59 1.85 10.71 13.32 94.07 51.80 -89.02 1.65 82.15 0.02 17.83 0.47 1.34 80.91 15.84 1.40 0.00 0.01 0.02 90 G C T 61.50 1.02 12.19 13.20 96.23 -105.85 79.20 13.09 99.22 0.01 0.77 1.15 1.69 96.54 0.52 0.10 0.00 0.00 0.00 91 L C C 96.72 4.29 9.63 15.68 111.02 122.87 -100.77 98.93 96.92 1.88 1.20 88.53 7.24 1.07 0.67 0.40 0.00 0.82 1.26 92 A C C 60.81 5.84 9.24 16.87 121.53 122.06 -107.07 143.41 89.41 5.85 4.74 76.70 9.28 3.26 2.67 2.13 0.00 3.55 2.42 93 I C C 118.34 3.63 10.78 15.83 105.50 -158.58 -92.91 -11.37 83.87 8.54 7.58 56.60 19.70 7.86 3.56 4.08 0.01 6.08 2.12 94 Y C C 162.28 2.67 9.39 13.65 121.65 13.60 -118.17 137.02 83.22 8.58 8.20 58.88 16.82 7.66 3.58 4.59 0.01 6.58 1.88 95 K C C 148.89 2.42 8.10 12.64 117.55 -157.89 -104.62 134.87 88.57 5.04 6.39 69.99 14.04 4.68 2.80 3.46 0.00 4.02 1.01 96 H C C 153.56 1.67 7.87 11.30 113.95 -132.03 -91.91 128.28 91.31 4.16 4.53 80.24 6.43 4.97 1.69 2.45 0.00 3.36 0.85 97 K C C 155.15 1.99 6.40 10.36 115.80 -152.34 -97.12 132.42 97.43 1.36 1.21 95.67 0.74 1.66 0.41 0.37 0.00 0.76 0.38 98 H C C 155.66 1.61 9.08 12.08 110.71 -135.44 -90.08 125.52 99.97 0.02 0.00 99.94 0.03 0.02 0.00 0.00 0.00 0.01 0.00