# 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 111.35 5.63 12.68 19.59 112.66 -140.07 -85.50 131.77 99.95 0.02 0.03 99.89 0.05 0.03 0.01 0.00 0.00 0.01 0.00 1 A C C 65.00 5.62 9.87 17.08 107.80 -114.22 -74.15 134.07 83.62 0.88 15.50 77.08 0.97 6.33 13.01 1.76 0.00 0.40 0.46 2 N C C 108.74 3.08 10.61 15.20 105.85 -132.48 -85.41 73.71 81.89 1.06 17.05 58.87 12.29 9.41 15.84 2.56 0.00 0.45 0.59 3 I C H 94.58 4.80 9.71 16.13 103.22 90.81 -80.63 -15.81 55.98 0.93 43.10 36.07 13.98 5.63 41.31 2.23 0.01 0.32 0.45 4 K H H 133.44 2.28 12.86 15.91 94.92 56.64 -64.26 -38.62 19.73 0.25 80.02 10.95 3.83 5.71 76.18 3.10 0.01 0.11 0.11 5 S H H 59.44 2.89 13.33 17.07 93.87 51.07 -66.63 -38.50 16.68 0.19 83.12 8.99 2.70 5.63 79.34 3.17 0.01 0.09 0.09 6 Q H H 81.60 4.62 13.08 19.32 93.11 52.66 -66.27 -38.31 9.97 0.13 89.90 5.75 1.65 3.17 86.78 2.52 0.00 0.06 0.05 7 Q H H 90.42 3.94 14.52 19.50 92.48 52.22 -65.17 -40.89 5.98 0.08 93.94 3.34 0.99 1.99 92.44 1.18 0.00 0.03 0.03 8 K H H 115.04 2.49 16.23 18.91 92.55 50.59 -65.14 -40.77 4.81 0.06 95.13 2.59 0.70 1.70 94.18 0.78 0.00 0.02 0.02 9 R H H 127.06 3.64 16.10 20.45 92.40 50.56 -65.36 -40.53 3.83 0.04 96.13 1.87 0.51 1.47 95.54 0.57 0.00 0.02 0.02 10 N H H 75.46 4.73 16.08 21.87 92.60 50.25 -65.71 -40.43 3.35 0.02 96.63 1.49 0.42 1.33 96.29 0.44 0.00 0.01 0.01 11 R H H 128.61 2.67 18.14 20.61 92.21 49.88 -65.23 -40.91 3.30 0.02 96.68 1.30 0.41 1.41 96.47 0.38 0.00 0.01 0.01 12 T H H 62.43 4.16 17.56 22.40 92.48 49.65 -65.15 -41.80 3.03 0.01 96.95 1.15 0.38 1.24 96.96 0.25 0.00 0.00 0.01 13 N H H 64.44 7.11 16.44 24.84 92.34 50.24 -65.54 -40.48 2.42 0.01 97.57 0.94 0.27 0.94 97.66 0.19 0.00 0.00 0.00 14 E H H 98.93 3.48 18.66 22.30 91.81 50.38 -64.94 -41.15 1.51 0.01 98.49 0.47 0.15 0.67 98.56 0.15 0.00 0.00 0.00 15 R H H 129.39 2.38 20.08 21.72 91.94 49.40 -64.56 -41.37 0.99 0.00 99.01 0.25 0.09 0.47 99.06 0.11 0.00 0.00 0.00 16 A H H 32.29 8.99 16.10 26.73 91.95 50.64 -64.31 -41.16 0.85 0.00 99.15 0.19 0.07 0.41 99.22 0.11 0.00 0.00 0.00 17 R H H 114.38 6.80 18.20 25.91 92.00 50.78 -64.48 -40.64 1.02 0.00 98.98 0.21 0.08 0.52 99.07 0.11 0.00 0.00 0.00 18 L H H 91.14 2.59 20.63 22.22 92.05 49.53 -64.68 -41.44 0.88 0.00 99.12 0.18 0.07 0.46 99.18 0.10 0.00 0.00 0.00 19 R H H 119.85 4.29 20.31 24.96 92.08 49.37 -64.64 -41.15 0.86 0.00 99.14 0.17 0.07 0.45 99.21 0.09 0.00 0.00 0.00 20 N H H 37.49 14.48 15.81 30.67 92.26 50.27 -65.29 -40.02 1.14 0.00 98.85 0.23 0.09 0.64 98.93 0.11 0.00 0.00 0.00 21 K H H 115.52 4.21 20.90 25.56 91.81 51.26 -64.22 -40.60 0.74 0.00 99.26 0.14 0.06 0.41 99.30 0.08 0.00 0.00 0.00 22 A H H 58.28 2.63 22.40 23.85 91.95 50.07 -64.48 -41.60 0.82 0.00 99.18 0.16 0.07 0.47 99.21 0.08 0.00 0.00 0.00 23 V H H 28.38 14.18 18.35 33.16 92.01 48.85 -64.57 -42.67 0.79 0.00 99.21 0.16 0.07 0.45 99.24 0.08 0.00 0.00 0.00 24 K H H 65.09 14.97 18.90 33.31 91.47 51.53 -62.49 -42.25 0.65 0.00 99.35 0.14 0.06 0.36 99.37 0.07 0.00 0.00 0.00 25 S H H 60.35 2.47 24.05 25.11 91.36 50.05 -63.96 -41.08 0.95 0.00 99.05 0.21 0.07 0.52 99.12 0.08 0.00 0.00 0.00 26 S H H 50.81 5.21 22.83 28.25 91.60 50.03 -65.03 -40.85 0.99 0.00 99.01 0.15 0.06 0.60 99.12 0.07 0.00 0.00 0.00 27 L H H 12.54 21.71 16.01 37.78 92.04 50.55 -64.61 -42.58 0.45 0.00 99.55 0.07 0.03 0.23 99.63 0.04 0.00 0.00 0.00 28 R H H 114.32 8.51 22.30 31.28 91.21 51.51 -62.22 -42.15 0.24 0.00 99.76 0.04 0.01 0.12 99.80 0.03 0.00 0.00 0.00 29 T H H 77.54 1.96 25.35 25.14 91.59 49.36 -64.14 -41.74 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 30 A H H 18.04 13.77 20.13 34.67 91.71 50.25 -64.45 -42.20 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 31 V H H 16.82 19.93 18.44 38.10 91.36 50.02 -63.49 -42.88 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 32 R H H 128.28 2.98 25.07 27.56 91.30 50.40 -63.35 -41.51 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 33 A H H 49.86 4.46 23.83 28.26 91.65 49.87 -64.39 -41.51 0.25 0.00 99.75 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 34 F H H 13.35 21.64 16.84 38.44 91.71 50.29 -64.33 -42.69 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.04 0.00 0.00 0.00 35 R H H 99.78 11.34 21.72 32.72 91.36 51.01 -62.51 -42.00 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.04 0.00 0.00 0.00 36 E H H 111.49 1.65 24.66 23.85 91.63 49.63 -64.23 -41.76 0.28 0.00 99.72 0.02 0.01 0.20 99.70 0.07 0.00 0.00 0.00 37 A H H 19.50 9.18 17.21 28.67 91.74 49.47 -64.63 -41.09 0.55 0.00 99.45 0.05 0.04 0.36 99.35 0.20 0.00 0.00 0.00 38 A H H 18.45 17.43 12.71 30.11 91.79 51.68 -63.90 -41.08 1.44 0.00 98.56 0.14 0.09 1.07 98.08 0.62 0.00 0.00 0.00 39 H H H 146.93 1.97 18.06 20.33 91.33 51.61 -66.85 -31.92 6.61 0.00 93.39 0.21 0.29 6.02 92.87 0.61 0.00 0.00 0.00 40 A C T 78.40 1.69 16.22 17.38 92.34 54.17 -83.24 -6.98 66.65 0.01 33.34 0.49 1.60 63.11 33.96 0.82 0.00 0.00 0.01 41 G C T 50.95 4.32 13.88 19.80 95.60 -110.45 82.98 11.73 99.71 0.01 0.28 3.65 2.83 93.32 0.15 0.05 0.00 0.00 0.00 42 D C C 71.80 5.03 15.03 21.76 105.27 143.13 -89.17 96.44 99.48 0.12 0.40 98.94 0.52 0.16 0.23 0.04 0.00 0.03 0.09 43 K H H 107.97 10.36 13.23 24.68 94.33 175.94 -65.39 -36.52 4.28 0.01 95.71 1.34 0.68 1.98 95.15 0.84 0.00 0.00 0.00 44 A H H 81.47 1.29 21.01 20.51 91.98 53.16 -64.12 -41.16 2.46 0.00 97.53 0.27 0.23 1.78 96.72 0.99 0.00 0.00 0.00 45 K H H 96.96 4.82 20.55 25.70 92.04 47.12 -66.81 -39.31 1.26 0.00 98.73 0.25 0.10 0.76 98.01 0.88 0.00 0.00 0.00 46 A H H 5.81 20.98 12.84 34.15 91.41 52.41 -63.21 -42.80 0.52 0.00 99.48 0.12 0.04 0.24 99.39 0.22 0.00 0.00 0.00 47 A H H 45.74 8.56 21.64 30.72 91.54 51.71 -63.20 -41.22 0.33 0.00 99.67 0.05 0.01 0.17 99.66 0.11 0.00 0.00 0.00 48 E H H 119.07 1.65 25.87 25.43 91.62 49.85 -64.24 -41.55 0.36 0.00 99.64 0.03 0.01 0.23 99.62 0.10 0.00 0.00 0.00 49 L H H 31.35 14.64 20.82 35.63 91.65 49.37 -64.56 -42.16 0.48 0.00 99.52 0.05 0.02 0.32 99.52 0.10 0.00 0.00 0.00 50 L H H 17.52 21.73 18.58 39.66 91.45 51.27 -62.67 -42.77 0.26 0.00 99.74 0.04 0.01 0.14 99.78 0.04 0.00 0.00 0.00 51 A H H 55.38 4.47 25.16 29.58 91.43 50.41 -63.48 -41.99 0.23 0.00 99.77 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 52 S H H 49.70 4.04 25.23 29.09 91.48 49.63 -64.12 -42.23 0.41 0.00 99.59 0.03 0.02 0.27 99.64 0.04 0.00 0.00 0.00 53 T H H 6.82 21.21 18.45 39.85 91.65 50.06 -63.90 -42.43 0.28 0.00 99.72 0.03 0.01 0.18 99.76 0.02 0.00 0.00 0.00 54 N H H 46.82 15.39 21.57 36.17 91.32 51.66 -62.65 -41.91 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 55 R H H 142.23 1.78 26.17 26.28 91.37 50.36 -63.89 -41.74 0.13 0.00 99.87 0.00 0.00 0.09 99.88 0.02 0.00 0.00 0.00 56 K H H 75.26 9.75 23.62 33.49 91.63 48.65 -64.91 -41.45 0.20 0.00 99.80 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 57 L H H 6.53 24.17 16.60 40.83 91.45 49.78 -63.61 -42.30 0.17 0.00 99.83 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 58 D H H 67.45 7.10 23.43 30.81 91.31 50.96 -63.14 -41.63 0.40 0.00 99.60 0.03 0.01 0.27 99.63 0.06 0.00 0.00 0.00 59 K H H 112.51 2.31 24.83 25.63 91.73 49.33 -64.64 -41.47 0.75 0.00 99.25 0.04 0.03 0.58 99.22 0.12 0.00 0.00 0.00 60 A H H 9.48 14.90 16.40 32.85 91.94 50.09 -64.61 -41.45 1.19 0.00 98.81 0.13 0.10 0.81 98.68 0.27 0.00 0.00 0.00 61 A H H 25.97 14.35 14.73 29.57 91.90 51.59 -63.85 -41.25 2.78 0.01 97.21 0.32 0.21 2.14 96.15 1.18 0.01 0.00 0.00 62 S H H 89.47 1.29 18.79 19.30 90.97 53.53 -65.66 -29.47 10.49 0.01 89.50 0.27 0.43 10.30 87.92 1.04 0.02 0.00 0.01 63 K C T 123.71 3.62 15.73 20.30 92.79 53.14 -86.08 -1.95 79.82 0.02 20.16 0.29 2.13 77.41 18.99 1.13 0.00 0.01 0.03 64 G C T 52.60 3.55 16.85 21.55 95.42 -110.57 79.43 12.34 99.71 0.01 0.28 0.49 4.98 94.35 0.11 0.06 0.00 0.00 0.00 65 V C S 48.14 12.17 16.03 29.05 95.27 120.93 -78.19 -31.09 99.85 0.11 0.04 3.37 95.48 1.05 0.01 0.01 0.00 0.03 0.04 66 I C S 14.65 21.09 11.54 32.44 131.80 22.79 -134.85 148.96 98.28 1.67 0.06 6.68 91.50 0.49 0.02 0.01 0.00 0.28 1.03 67 H C C 105.44 3.05 21.76 23.89 117.01 -105.62 -71.81 151.19 99.69 0.24 0.07 99.18 0.55 0.03 0.04 0.01 0.00 0.08 0.10 68 K H H 123.06 9.11 13.40 23.74 91.53 -113.70 -57.93 -38.42 12.27 0.03 87.71 1.03 1.27 9.65 81.84 6.16 0.02 0.01 0.02 69 N H H 118.41 1.10 20.58 19.70 91.72 52.81 -64.88 -38.22 10.11 0.02 89.87 0.73 0.77 8.27 83.72 6.46 0.01 0.01 0.01 70 Q H H 72.90 7.19 19.49 27.43 92.34 48.90 -66.96 -39.81 3.96 0.02 96.01 0.96 0.49 2.36 91.27 4.90 0.00 0.01 0.01 71 A H H 5.84 20.59 12.99 34.06 91.75 51.91 -62.99 -42.89 1.67 0.00 98.32 0.45 0.19 0.87 97.49 1.00 0.00 0.00 0.00 72 A H H 51.03 5.53 21.23 27.32 91.68 52.03 -63.38 -41.46 0.96 0.00 99.03 0.23 0.09 0.50 98.80 0.38 0.00 0.00 0.00 73 N H H 96.90 1.94 23.93 24.13 91.97 49.33 -64.74 -41.32 0.78 0.00 99.22 0.16 0.06 0.42 99.14 0.21 0.00 0.00 0.00 74 K H H 69.85 13.29 19.91 32.81 92.23 49.18 -65.83 -40.89 0.59 0.00 99.41 0.10 0.04 0.33 99.41 0.13 0.00 0.00 0.00 75 K H H 62.04 16.50 18.77 34.40 91.46 51.40 -62.39 -42.26 0.65 0.00 99.35 0.12 0.05 0.35 99.39 0.09 0.00 0.00 0.00 76 S H H 61.58 2.76 24.10 25.80 91.55 50.42 -63.76 -41.31 0.87 0.00 99.13 0.16 0.05 0.47 99.25 0.08 0.00 0.00 0.00 77 A H H 46.87 4.84 22.73 27.88 91.60 49.90 -64.19 -41.93 0.73 0.00 99.27 0.11 0.04 0.42 99.36 0.08 0.00 0.00 0.00 78 L H H 18.59 18.78 17.07 36.15 92.10 50.44 -64.37 -42.08 0.47 0.00 99.53 0.09 0.03 0.24 99.55 0.09 0.00 0.00 0.00 79 A H H 36.60 9.22 19.99 30.17 91.72 51.19 -62.88 -42.21 0.36 0.00 99.64 0.06 0.02 0.18 99.65 0.09 0.00 0.00 0.00 80 Q H H 104.97 1.76 22.71 22.49 91.99 49.97 -64.16 -41.47 0.47 0.00 99.53 0.06 0.03 0.28 99.41 0.22 0.00 0.00 0.00 81 A H H 30.57 8.76 16.88 27.43 92.07 50.31 -64.94 -40.23 1.02 0.00 98.98 0.10 0.05 0.69 98.60 0.55 0.00 0.00 0.00 82 L H H 36.66 16.32 12.52 29.03 91.90 52.13 -64.96 -38.31 3.26 0.00 96.73 0.28 0.18 2.50 95.40 1.64 0.00 0.00 0.00 83 N H H 114.71 2.54 15.59 19.04 91.39 53.92 -68.12 -25.34 24.34 0.02 75.64 1.19 0.91 21.66 74.52 1.71 0.00 0.00 0.01 84 K C T 151.63 1.47 14.84 16.18 94.96 55.58 -77.50 -14.71 57.71 0.06 42.23 10.67 0.91 43.42 43.39 1.55 0.00 0.02 0.04 85 L C C 72.61 12.45 11.32 23.67 99.79 77.31 -76.16 -20.08 99.91 0.01 0.08 99.75 0.10 0.08 0.06 0.00 0.00 0.00 0.00