# 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 A C C 58.52 7.61 12.33 21.06 109.51 -121.02 -74.73 137.77 99.89 0.02 0.09 99.80 0.06 0.07 0.06 0.00 0.00 0.01 0.00 1 N C C 103.24 3.45 11.73 16.56 107.21 -131.63 -84.76 97.69 82.21 0.70 17.09 76.34 1.14 3.60 17.49 0.79 0.00 0.23 0.40 2 I H H 100.53 4.76 9.87 16.13 98.93 80.16 -72.20 -33.94 38.66 0.53 60.80 25.51 7.85 5.46 59.15 1.58 0.00 0.19 0.26 3 K H H 138.64 1.70 13.21 15.17 94.04 58.00 -65.36 -39.16 16.20 0.16 83.64 8.12 2.92 5.43 81.33 2.06 0.01 0.07 0.08 4 S H H 58.32 2.52 13.94 17.04 93.06 50.48 -66.08 -39.35 13.02 0.14 86.84 6.67 2.13 4.63 84.30 2.15 0.00 0.06 0.06 5 A H H 42.32 5.52 12.43 19.98 92.74 51.96 -64.78 -40.25 7.30 0.06 92.64 4.08 1.11 2.25 91.17 1.34 0.00 0.03 0.03 6 K H H 112.90 3.63 15.45 19.84 92.45 51.52 -64.93 -40.87 3.89 0.04 96.07 2.01 0.56 1.36 95.40 0.63 0.00 0.01 0.01 7 K H H 120.69 2.13 17.06 18.96 92.33 50.13 -65.18 -40.96 2.76 0.02 97.22 1.29 0.35 1.05 96.88 0.41 0.00 0.01 0.01 8 R H H 129.95 3.26 17.05 20.82 92.24 50.08 -65.37 -40.55 2.05 0.02 97.94 0.90 0.24 0.80 97.77 0.28 0.00 0.01 0.01 9 A H H 44.17 5.94 15.70 23.00 92.18 50.85 -64.46 -41.47 1.78 0.01 98.21 0.74 0.19 0.69 98.15 0.22 0.00 0.00 0.00 10 I H H 87.08 3.10 18.39 21.53 92.04 49.27 -64.78 -41.85 1.69 0.01 98.30 0.64 0.18 0.71 98.26 0.20 0.00 0.00 0.00 11 Q H H 94.05 3.37 18.93 22.31 92.47 49.33 -65.36 -41.02 1.81 0.01 98.17 0.63 0.20 0.79 98.21 0.17 0.00 0.00 0.00 12 S H H 42.33 6.40 16.45 24.37 92.36 50.55 -65.07 -40.56 2.42 0.01 97.57 0.86 0.27 1.03 97.66 0.17 0.00 0.00 0.00 13 E H H 96.23 3.99 18.46 22.72 91.90 50.35 -65.14 -40.84 1.79 0.01 98.20 0.60 0.19 0.79 98.25 0.16 0.00 0.00 0.00 14 K H H 111.16 2.63 19.63 21.75 92.08 49.87 -64.81 -41.09 1.55 0.00 98.45 0.47 0.16 0.74 98.48 0.15 0.00 0.00 0.00 15 A H H 40.99 7.53 16.45 25.48 92.19 50.83 -64.49 -41.21 1.51 0.00 98.49 0.46 0.15 0.71 98.50 0.16 0.00 0.00 0.00 16 R H H 120.23 6.12 17.81 24.72 92.18 50.62 -64.44 -40.83 1.66 0.01 98.33 0.49 0.17 0.81 98.34 0.19 0.00 0.00 0.00 17 K H H 124.35 2.15 20.28 21.49 92.01 49.48 -64.81 -41.12 1.81 0.01 98.19 0.46 0.19 0.97 98.17 0.21 0.00 0.00 0.00 18 H H H 96.56 4.22 19.50 23.99 92.28 48.99 -65.05 -41.30 2.47 0.01 97.52 0.59 0.26 1.37 97.54 0.23 0.00 0.00 0.00 19 N H H 42.43 12.61 16.14 29.47 92.37 50.24 -65.21 -39.97 3.09 0.01 96.90 0.76 0.32 1.70 96.98 0.24 0.00 0.00 0.00 20 A H H 51.49 5.06 19.60 25.26 91.91 51.43 -63.92 -41.17 1.49 0.00 98.51 0.41 0.16 0.73 98.54 0.15 0.00 0.00 0.00 21 S H H 61.31 2.36 21.97 22.96 92.06 50.06 -64.80 -41.19 1.33 0.00 98.66 0.35 0.12 0.68 98.69 0.14 0.00 0.00 0.00 22 R H H 74.08 12.06 18.66 30.97 92.02 49.49 -65.24 -41.64 0.98 0.00 99.02 0.21 0.09 0.55 99.03 0.12 0.00 0.00 0.00 23 R H H 79.28 14.40 18.03 31.97 91.41 51.72 -63.04 -41.48 0.57 0.00 99.42 0.14 0.05 0.30 99.44 0.07 0.00 0.00 0.00 24 S H H 61.63 2.41 23.24 24.18 91.54 50.38 -64.23 -40.95 0.61 0.00 99.39 0.13 0.04 0.33 99.43 0.07 0.00 0.00 0.00 25 M H H 86.27 4.93 22.22 27.35 91.67 49.86 -64.97 -41.28 0.66 0.00 99.34 0.08 0.03 0.41 99.41 0.07 0.00 0.00 0.00 26 M H H 14.76 21.09 15.80 36.91 91.75 50.45 -64.43 -42.56 0.44 0.00 99.56 0.05 0.02 0.25 99.63 0.04 0.00 0.00 0.00 27 R H H 111.23 8.65 21.50 30.53 91.41 51.36 -62.71 -41.52 0.34 0.00 99.66 0.06 0.02 0.17 99.71 0.03 0.00 0.00 0.00 28 T H H 73.63 2.09 24.28 24.41 91.56 49.63 -64.03 -41.87 0.37 0.00 99.63 0.05 0.02 0.23 99.66 0.04 0.00 0.00 0.00 29 F H H 36.31 14.38 20.02 34.79 92.14 49.49 -64.88 -42.34 0.27 0.00 99.73 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 30 I H H 18.90 20.78 17.89 38.22 91.36 51.40 -62.66 -42.86 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 31 K H H 119.23 3.10 24.40 27.35 91.28 50.90 -63.43 -40.98 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 32 K H H 107.24 4.23 24.46 28.65 91.87 49.60 -65.08 -41.15 0.15 0.00 99.85 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 33 V H H 6.05 22.91 17.47 40.56 91.71 49.92 -64.45 -43.50 0.09 0.00 99.91 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 34 Y H H 78.49 13.50 22.10 35.01 91.43 49.98 -62.97 -42.34 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 35 A H H 54.36 2.35 24.34 25.17 91.33 50.40 -63.53 -42.35 0.18 0.00 99.82 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 36 A H H 16.86 10.09 17.70 30.02 91.65 50.12 -64.17 -41.53 0.36 0.00 99.64 0.03 0.02 0.22 99.61 0.11 0.00 0.00 0.00 37 I H H 25.22 18.75 13.59 32.06 92.11 50.43 -64.56 -41.95 0.77 0.00 99.23 0.07 0.04 0.56 98.99 0.33 0.00 0.00 0.00 38 E H H 134.79 2.93 18.16 22.10 90.91 52.55 -64.80 -32.31 4.04 0.00 95.95 0.11 0.15 3.67 95.74 0.32 0.00 0.00 0.00 39 A C T 78.06 1.77 16.81 18.02 91.91 53.34 -83.79 -6.92 62.14 0.01 37.85 0.38 1.38 58.71 38.89 0.61 0.00 0.00 0.01 40 G C T 50.22 4.90 13.97 20.49 95.11 -112.10 83.20 10.67 99.75 0.01 0.24 3.48 3.27 93.07 0.13 0.04 0.00 0.00 0.00 41 D C C 74.06 4.97 15.77 22.35 105.23 141.23 -89.42 94.61 99.57 0.11 0.33 98.92 0.60 0.16 0.19 0.03 0.00 0.02 0.08 42 K H H 102.18 11.71 13.56 25.88 94.18 172.36 -65.64 -35.84 5.21 0.01 94.78 1.84 0.90 2.14 94.40 0.72 0.00 0.00 0.00 43 A H H 76.14 1.56 22.13 21.94 91.84 53.98 -63.91 -41.69 2.23 0.00 97.77 0.29 0.23 1.49 97.23 0.76 0.00 0.00 0.00 44 A H H 39.26 5.87 19.81 26.84 91.82 48.34 -65.74 -40.50 0.86 0.00 99.13 0.17 0.07 0.49 98.64 0.62 0.00 0.00 0.00 45 A H H 4.91 21.87 12.96 35.11 91.47 52.07 -63.98 -42.69 0.44 0.00 99.56 0.09 0.03 0.21 99.42 0.24 0.00 0.00 0.00 46 Q H H 85.19 8.43 22.48 31.11 91.57 51.55 -63.44 -41.33 0.30 0.00 99.70 0.04 0.01 0.16 99.69 0.09 0.00 0.00 0.00 47 K H H 122.43 1.71 25.77 25.36 91.78 49.82 -64.22 -41.80 0.36 0.00 99.64 0.03 0.01 0.24 99.63 0.08 0.00 0.00 0.00 48 A H H 13.03 15.21 19.46 35.52 91.76 50.18 -64.32 -42.08 0.51 0.00 99.49 0.04 0.02 0.35 99.47 0.12 0.00 0.00 0.00 49 F H H 18.76 22.18 17.34 38.93 91.49 51.27 -62.98 -41.81 0.38 0.00 99.62 0.03 0.01 0.26 99.46 0.24 0.00 0.00 0.00 50 N H H 97.12 3.41 23.92 27.42 91.64 50.75 -64.41 -38.85 1.02 0.00 98.98 0.02 0.02 0.94 98.68 0.34 0.00 0.00 0.00 51 E H H 106.97 3.79 23.94 27.54 92.32 49.49 -68.03 -37.58 7.73 0.00 92.27 0.05 0.09 8.26 91.11 0.50 0.00 0.00 0.00 52 M H H 9.11 22.76 16.19 38.83 93.89 48.58 -75.39 -31.55 6.27 0.00 93.73 0.08 0.17 6.16 93.22 0.37 0.00 0.00 0.00 53 Q H H 60.94 16.27 19.47 34.64 92.03 62.89 -59.79 -43.79 0.47 0.00 99.53 0.05 0.02 0.27 99.42 0.23 0.00 0.00 0.00 54 P H H 76.99 2.12 25.19 25.47 91.27 50.43 -63.29 -40.76 0.22 0.00 99.78 0.02 0.01 0.16 99.59 0.22 0.00 0.00 0.00 55 I H H 42.86 10.98 21.96 33.63 91.77 49.15 -64.79 -42.36 0.08 0.00 99.92 0.01 0.00 0.05 99.80 0.14 0.00 0.00 0.00 56 V H H 5.57 23.81 16.39 40.33 91.51 49.13 -63.60 -43.12 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.03 0.00 0.00 0.00 57 D H H 68.62 6.83 22.60 29.80 91.39 50.81 -63.21 -41.50 0.26 0.00 99.74 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 58 R H H 129.69 2.28 23.74 24.66 91.96 49.39 -64.99 -41.23 0.43 0.00 99.57 0.02 0.02 0.30 99.59 0.06 0.00 0.00 0.00 59 Q H H 24.98 13.48 16.70 31.49 92.14 49.25 -65.81 -40.77 0.78 0.00 99.22 0.08 0.06 0.51 99.19 0.16 0.00 0.00 0.00 60 A H H 24.67 14.16 13.82 28.61 91.96 51.77 -63.85 -41.22 1.83 0.00 98.16 0.20 0.12 1.35 97.80 0.52 0.00 0.00 0.00 61 A H H 85.27 1.66 17.78 19.30 90.91 53.34 -65.22 -31.39 7.45 0.01 92.54 0.20 0.28 7.24 91.75 0.52 0.01 0.00 0.00 62 K C T 127.30 2.96 15.49 19.17 92.67 52.90 -85.94 -2.18 81.00 0.02 18.98 0.22 1.51 78.90 18.73 0.62 0.00 0.00 0.02 63 G C T 53.19 3.37 15.62 20.33 95.30 -112.06 79.31 13.65 99.70 0.01 0.29 0.40 3.17 96.24 0.14 0.04 0.00 0.00 0.00 64 L C S 65.32 9.99 15.53 26.67 94.75 122.51 -78.01 -29.65 99.86 0.09 0.04 3.81 95.11 1.00 0.02 0.01 0.00 0.03 0.04 65 I C S 17.56 20.14 10.97 30.74 132.47 23.12 -135.29 149.40 98.27 1.66 0.07 6.23 91.90 0.52 0.03 0.01 0.00 0.30 1.01 66 H C C 107.26 2.95 20.81 22.95 116.43 -104.01 -70.67 151.12 99.61 0.29 0.10 98.95 0.70 0.05 0.06 0.01 0.00 0.10 0.14 67 K H H 126.59 8.06 13.03 22.65 91.52 -113.66 -57.99 -38.35 14.67 0.04 85.29 1.44 1.88 11.24 81.46 3.92 0.03 0.01 0.03 68 N H H 117.91 1.03 19.97 18.87 91.76 53.21 -64.97 -38.77 10.87 0.02 89.11 0.85 0.98 8.83 85.77 3.54 0.02 0.01 0.01 69 K H H 83.72 7.10 19.09 26.94 92.31 48.57 -67.27 -39.54 3.93 0.02 96.05 1.02 0.53 2.29 93.09 3.04 0.00 0.01 0.01 70 A H H 6.09 20.45 12.48 33.30 91.46 52.51 -62.89 -42.65 1.54 0.01 98.45 0.42 0.17 0.80 97.76 0.84 0.00 0.00 0.00 71 A H H 53.95 4.51 21.23 26.05 91.67 51.47 -63.52 -41.16 0.89 0.00 99.10 0.22 0.08 0.44 98.90 0.35 0.00 0.00 0.00 72 R H H 142.94 1.65 23.43 23.08 91.96 49.49 -64.65 -41.57 0.65 0.00 99.35 0.12 0.05 0.36 99.28 0.19 0.00 0.00 0.00 73 H H H 44.49 15.02 18.53 33.51 92.21 48.67 -65.25 -41.40 0.75 0.00 99.25 0.13 0.06 0.43 99.23 0.15 0.00 0.00 0.00 74 K H H 64.34 16.41 18.44 33.89 91.36 51.83 -62.22 -42.10 1.25 0.00 98.75 0.21 0.11 0.75 98.77 0.16 0.00 0.00 0.00 75 A H H 62.77 2.21 23.75 24.31 91.52 50.39 -63.87 -41.16 1.40 0.00 98.60 0.25 0.10 0.81 98.71 0.13 0.00 0.00 0.00 76 N H H 81.14 4.31 22.86 27.12 91.81 49.35 -65.33 -40.56 1.87 0.00 98.13 0.25 0.11 1.24 98.23 0.16 0.00 0.00 0.00 77 L H H 10.89 21.07 15.63 36.89 91.89 50.66 -64.28 -42.52 0.94 0.00 99.06 0.20 0.07 0.50 99.04 0.20 0.00 0.00 0.00 78 T H H 55.87 9.17 20.74 30.42 91.65 51.17 -63.04 -41.87 0.58 0.00 99.41 0.13 0.04 0.28 99.42 0.14 0.00 0.00 0.00 79 A H H 57.68 1.95 22.43 22.52 91.50 50.58 -63.55 -42.08 0.48 0.00 99.52 0.07 0.03 0.26 99.49 0.15 0.00 0.00 0.00 80 Q H H 64.77 8.82 18.89 28.64 92.14 49.37 -65.69 -40.74 0.68 0.00 99.32 0.10 0.04 0.41 99.20 0.25 0.00 0.00 0.00 81 I H H 22.61 18.26 13.02 31.37 91.84 50.76 -64.20 -41.83 1.00 0.00 99.00 0.13 0.07 0.64 98.57 0.58 0.00 0.00 0.00 82 N H H 106.79 2.58 17.44 20.66 91.74 51.41 -64.58 -36.77 4.56 0.01 95.43 0.41 0.26 3.51 94.12 1.69 0.00 0.00 0.00 83 K H H 145.39 1.59 16.19 17.58 92.19 52.57 -68.67 -30.21 21.61 0.02 78.37 1.31 0.89 18.70 77.08 2.01 0.00 0.01 0.01 84 L H H 67.97 10.96 10.72 22.35 95.56 55.51 -79.58 -17.82 41.92 0.10 57.97 13.99 1.17 24.85 58.32 1.55 0.00 0.03 0.09 85 A C C 65.12 7.69 13.67 22.46 103.46 87.82 -71.98 51.08 99.91 0.01 0.08 99.72 0.08 0.12 0.07 0.00 0.00 0.00 0.00