# 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 51.91 6.73 13.06 20.98 103.65 -125.94 -72.94 77.27 99.73 0.03 0.24 99.64 0.07 0.08 0.19 0.01 0.00 0.01 0.01 1 Q H H 117.05 2.26 11.66 14.86 95.21 93.62 -65.85 -37.70 13.28 0.05 86.67 9.00 0.61 3.26 86.00 1.09 0.00 0.02 0.02 2 F H H 136.76 1.76 11.23 13.67 92.83 52.56 -66.13 -39.35 7.64 0.05 92.31 2.63 1.02 3.93 90.89 1.47 0.00 0.02 0.02 3 V H H 84.80 3.09 11.81 15.77 92.66 50.31 -66.44 -39.83 3.56 0.03 96.41 1.35 0.48 1.72 94.87 1.55 0.00 0.02 0.01 4 R H H 134.92 2.11 13.31 15.96 92.26 51.43 -64.97 -40.57 1.90 0.01 98.09 0.75 0.25 0.85 97.35 0.79 0.00 0.01 0.00 5 N H H 87.12 2.28 13.80 16.59 92.28 50.27 -65.17 -39.85 2.28 0.01 97.71 0.67 0.24 1.22 97.17 0.69 0.00 0.00 0.00 6 L H H 86.86 3.77 13.63 18.38 92.43 50.48 -65.25 -40.10 1.57 0.01 98.43 0.29 0.14 0.97 97.83 0.75 0.00 0.00 0.00 7 A H H 58.89 3.82 14.14 18.83 92.37 51.10 -65.78 -38.77 2.34 0.00 97.65 0.25 0.16 1.72 96.54 1.32 0.00 0.00 0.00 8 E H H 122.89 1.95 15.77 17.57 92.80 50.65 -69.41 -34.07 15.73 0.01 84.26 0.40 0.49 15.07 82.42 1.60 0.01 0.00 0.01 9 K H H 111.07 3.92 15.08 19.83 94.71 49.81 -78.07 -26.99 22.91 0.01 77.07 0.69 0.99 21.02 75.78 1.49 0.01 0.00 0.01 10 A H H 43.48 7.08 13.05 21.73 92.61 69.77 -61.24 -42.55 3.29 0.01 96.70 1.19 0.42 1.38 95.58 1.42 0.00 0.00 0.00 11 P H H 73.94 3.40 16.14 20.22 92.19 50.88 -64.25 -39.30 1.50 0.00 98.49 0.41 0.12 0.79 97.06 1.62 0.00 0.00 0.00 12 V H H 88.15 2.28 16.81 18.87 92.35 50.38 -65.61 -40.58 0.69 0.00 99.31 0.15 0.06 0.38 98.13 1.28 0.00 0.00 0.00 13 L H H 85.34 4.54 15.93 21.26 92.46 49.98 -65.59 -40.98 0.68 0.00 99.32 0.15 0.06 0.37 98.90 0.51 0.00 0.00 0.00 14 V H H 70.44 5.43 15.62 21.89 92.11 49.37 -64.49 -41.50 0.84 0.00 99.16 0.16 0.07 0.48 99.06 0.23 0.00 0.00 0.00 15 N H H 90.14 2.79 17.20 20.19 92.16 50.43 -64.82 -39.82 1.18 0.00 98.81 0.16 0.08 0.75 98.73 0.27 0.00 0.00 0.00 16 A H H 52.94 3.25 15.84 19.89 92.17 51.40 -64.52 -40.46 1.97 0.00 98.02 0.21 0.13 1.40 97.72 0.54 0.00 0.00 0.00 17 A H H 50.09 5.18 14.90 21.27 92.36 50.77 -65.43 -39.83 3.40 0.01 96.58 0.41 0.26 2.44 95.78 1.10 0.01 0.01 0.00 18 V H H 77.59 4.64 14.89 20.44 93.10 49.39 -66.69 -38.84 5.79 0.06 94.15 1.11 0.65 3.90 91.03 3.24 0.02 0.03 0.02 19 T H H 83.70 2.64 15.60 18.62 93.52 50.14 -68.80 -36.73 11.78 0.12 88.10 1.85 1.22 8.52 82.32 5.93 0.05 0.06 0.05 20 Y H H 147.20 2.84 14.65 18.02 96.07 46.95 -79.66 -24.34 27.45 0.19 72.36 3.86 3.22 20.20 67.02 5.42 0.07 0.08 0.12 21 S H H 53.66 7.19 11.97 20.37 98.92 61.35 -75.27 -24.41 43.33 0.49 56.18 14.47 10.48 20.46 49.17 4.83 0.06 0.18 0.35 22 K H H 120.12 4.58 13.96 19.91 104.84 77.30 -76.18 18.07 46.21 0.53 53.26 26.18 11.82 9.18 46.59 5.73 0.01 0.22 0.26 23 P H H 78.04 4.44 14.14 19.58 100.99 45.07 -70.04 -4.31 45.36 0.63 54.01 31.12 4.75 9.63 47.62 6.29 0.00 0.33 0.26 24 R H H 128.92 5.52 13.72 20.37 99.11 62.61 -73.10 -27.33 34.91 0.87 64.22 23.11 4.29 8.57 55.56 7.63 0.01 0.48 0.35 25 L H H 86.66 5.14 13.86 20.07 94.62 66.29 -65.51 -39.48 18.60 0.47 80.93 11.77 2.94 5.16 72.46 7.23 0.01 0.27 0.16 26 A H H 55.03 3.73 14.91 19.74 92.83 54.10 -64.65 -39.11 10.94 0.25 88.82 5.67 1.52 4.10 80.85 7.63 0.01 0.15 0.06 27 T H H 60.71 5.25 14.40 21.07 92.66 51.69 -66.22 -40.09 8.41 0.21 91.38 3.14 1.18 4.27 82.90 8.28 0.02 0.14 0.06 28 F H H 95.46 6.14 14.18 21.47 92.65 51.24 -65.18 -40.56 5.23 0.14 94.63 1.70 0.69 2.85 87.01 7.60 0.01 0.10 0.03 29 W H H 134.48 3.85 14.81 19.61 92.74 51.61 -65.58 -40.16 4.93 0.15 94.92 1.51 0.68 2.73 86.82 8.10 0.01 0.12 0.03 30 H H H 109.08 3.44 14.74 19.06 92.94 50.67 -67.39 -38.03 8.03 0.15 91.81 1.63 0.93 5.32 84.21 7.72 0.03 0.11 0.05 31 Y H H 114.94 6.10 12.94 20.20 94.69 47.65 -74.49 -29.70 13.97 0.28 85.75 2.92 1.85 9.45 78.57 6.86 0.08 0.16 0.11 32 A H H 55.40 7.44 11.59 20.31 95.11 61.43 -71.85 -24.16 34.26 0.72 65.01 7.65 5.18 22.31 59.22 4.80 0.12 0.36 0.35 33 K C H 147.32 2.17 14.44 17.20 97.47 58.89 -83.33 -9.52 56.03 1.43 42.54 11.30 8.07 36.14 37.59 5.41 0.11 0.78 0.60 34 V C C 76.07 7.37 10.72 19.47 115.21 90.69 -89.55 133.02 70.65 5.43 23.91 35.68 20.52 14.21 19.23 5.43 0.07 3.46 1.41 35 E C C 128.33 4.00 13.81 19.07 110.99 -140.08 -89.15 114.37 73.99 11.86 14.15 57.11 7.03 8.84 10.88 4.04 0.01 9.65 2.43 36 L C C 89.58 9.83 10.61 21.15 113.68 -153.95 -92.24 125.31 77.75 16.61 5.65 64.56 8.82 3.66 3.82 2.03 0.01 10.16 6.94 37 V C C 94.45 3.96 16.35 21.54 120.38 -165.52 -113.69 132.32 85.40 14.23 0.37 68.08 17.59 0.49 0.22 0.17 0.00 8.78 4.67 38 P C C 76.42 9.47 13.74 24.28 115.32 -105.50 -66.11 145.41 99.33 0.65 0.01 96.34 3.03 0.06 0.00 0.01 0.00 0.46 0.09 39 P C C 40.67 14.44 10.62 25.36 116.12 -107.68 -67.97 151.72 99.45 0.46 0.09 97.61 1.80 0.11 0.03 0.02 0.00 0.14 0.28 40 T C C 78.63 2.49 18.26 20.17 120.18 -112.35 -80.08 160.57 99.66 0.20 0.14 97.86 1.71 0.12 0.06 0.03 0.00 0.04 0.17 41 P H G 91.99 6.57 11.15 19.43 91.56 -106.90 -58.27 -34.35 15.77 0.08 84.15 2.16 1.70 10.97 5.43 79.67 0.00 0.05 0.02 42 A H G 87.41 1.14 14.71 15.25 91.13 59.96 -67.97 -23.20 15.95 0.05 84.00 1.03 1.22 12.90 5.57 79.23 0.00 0.03 0.02 43 E H G 85.70 7.37 13.64 22.42 94.45 53.34 -84.88 -14.26 11.73 0.07 88.20 2.15 1.31 7.58 11.61 77.28 0.00 0.04 0.02 44 I H H 36.59 17.29 11.06 27.99 92.42 78.64 -60.70 -43.64 1.78 0.00 98.22 0.63 0.26 0.63 97.98 0.50 0.00 0.00 0.00 45 P H H 72.30 4.13 18.11 22.99 91.55 51.33 -63.48 -39.77 0.67 0.00 99.33 0.20 0.04 0.30 99.15 0.31 0.00 0.00 0.00 46 T H H 81.67 2.03 20.66 21.37 91.88 49.46 -65.46 -40.76 0.19 0.00 99.81 0.04 0.01 0.09 99.64 0.21 0.00 0.00 0.00 47 A H H 20.57 12.75 16.21 30.20 91.99 50.27 -64.56 -42.06 0.15 0.00 99.85 0.02 0.01 0.07 99.81 0.09 0.00 0.00 0.00 48 I H H 47.75 12.98 17.41 30.86 91.99 49.56 -64.03 -41.90 0.19 0.00 99.81 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 49 Q H H 100.08 2.45 21.68 23.15 91.72 50.40 -63.98 -41.75 0.26 0.00 99.74 0.02 0.01 0.15 99.78 0.03 0.00 0.00 0.00 50 S H H 46.58 4.85 19.69 25.21 91.84 50.22 -64.61 -41.10 0.70 0.00 99.30 0.05 0.02 0.48 99.38 0.06 0.00 0.00 0.00 51 L H H 32.82 15.63 15.97 31.85 92.06 50.79 -64.82 -40.80 0.61 0.00 99.38 0.07 0.03 0.36 99.48 0.07 0.00 0.00 0.00 52 K H H 103.39 7.14 19.52 27.47 91.68 52.35 -63.24 -40.42 0.58 0.00 99.42 0.08 0.03 0.32 99.50 0.07 0.00 0.00 0.00 53 K H H 125.62 2.13 21.83 22.97 91.86 50.64 -65.08 -40.65 0.97 0.00 99.03 0.11 0.06 0.63 99.09 0.11 0.00 0.00 0.00 54 I H H 51.92 10.76 18.34 29.98 92.14 49.76 -64.89 -42.37 1.21 0.01 98.78 0.25 0.10 0.67 98.82 0.14 0.00 0.00 0.00 55 V H H 38.07 12.94 17.25 30.85 92.00 49.41 -64.13 -41.92 1.33 0.01 98.65 0.34 0.14 0.71 98.57 0.22 0.00 0.01 0.00 56 N H H 85.85 3.03 21.06 23.60 92.00 50.18 -64.56 -40.48 2.76 0.02 97.21 0.46 0.28 1.87 96.81 0.56 0.01 0.01 0.01 57 S H H 41.85 5.05 17.09 23.61 92.05 50.96 -64.96 -39.59 4.97 0.03 95.00 0.78 0.53 3.51 93.90 1.23 0.02 0.01 0.01 58 A H H 29.17 13.56 13.04 27.18 92.66 52.13 -66.41 -36.96 7.13 0.05 92.81 1.19 0.76 5.11 90.36 2.49 0.04 0.02 0.03 59 Q H H 117.24 4.46 16.30 21.93 93.50 52.53 -70.15 -30.60 13.83 0.06 86.12 1.08 1.25 11.44 84.07 2.05 0.05 0.02 0.04 60 T H H 94.57 1.74 15.88 17.00 97.90 45.85 -87.13 -10.43 44.02 0.18 55.81 2.25 5.99 35.25 54.25 1.98 0.09 0.05 0.14 61 G C T 44.60 5.96 12.71 20.10 98.37 -113.02 77.80 7.85 94.61 0.31 5.09 17.91 22.56 54.46 2.17 2.55 0.00 0.14 0.21 62 S C C 53.49 4.79 14.75 20.92 99.77 118.32 -87.61 -1.95 78.27 0.94 20.78 54.01 10.40 12.34 4.82 17.35 0.00 0.44 0.63 63 F H G 57.14 16.94 9.91 25.92 93.74 101.55 -68.14 -25.35 28.78 0.74 70.48 10.17 4.87 13.70 4.36 66.28 0.00 0.43 0.20 64 K H G 149.21 2.75 15.74 19.78 91.29 69.31 -67.02 -21.31 29.61 0.24 70.14 2.33 3.30 22.56 3.19 68.39 0.00 0.13 0.10 65 Q H G 139.06 1.36 16.36 17.09 94.45 54.69 -89.60 -5.00 33.04 0.28 66.68 2.71 3.87 24.78 2.52 65.85 0.00 0.15 0.12 66 L C S 39.11 16.15 7.14 22.43 119.26 99.56 -82.56 144.66 98.25 1.39 0.35 42.16 55.93 0.27 0.19 0.09 0.00 0.33 1.01 67 T C C 73.37 2.17 18.31 19.62 121.11 -117.96 -77.98 163.14 91.06 8.69 0.25 91.07 0.74 0.05 0.20 0.03 0.00 1.45 6.46 68 V H H 97.92 6.05 13.14 20.55 91.32 -103.26 -57.76 -39.33 1.17 0.00 98.83 0.16 0.15 0.70 98.63 0.35 0.00 0.00 0.00 69 K H H 133.86 2.10 17.68 19.72 91.56 52.67 -64.31 -40.11 0.57 0.00 99.43 0.05 0.03 0.39 99.16 0.36 0.00 0.00 0.00 70 E H H 69.49 9.21 16.66 26.90 91.88 48.08 -66.65 -39.34 0.24 0.00 99.76 0.03 0.01 0.15 99.44 0.36 0.00 0.00 0.00 71 A H H 21.33 14.58 15.13 30.57 91.38 52.70 -62.41 -42.42 0.15 0.00 99.85 0.02 0.01 0.08 99.79 0.10 0.00 0.00 0.00 72 L H H 83.57 5.71 22.04 27.40 91.63 49.91 -64.17 -41.69 0.51 0.00 99.49 0.05 0.03 0.36 99.47 0.09 0.00 0.00 0.00 73 L H H 71.34 7.08 22.75 30.12 91.77 49.42 -64.58 -42.00 0.55 0.00 99.45 0.04 0.02 0.40 99.44 0.09 0.00 0.00 0.00 74 N H H 32.08 15.87 20.05 35.72 91.77 50.42 -64.02 -41.16 0.70 0.00 99.30 0.07 0.04 0.49 99.29 0.12 0.00 0.00 0.00 75 G H H 20.24 12.22 21.55 34.05 91.65 51.61 -63.62 -41.31 1.53 0.00 98.47 0.09 0.06 1.25 98.49 0.11 0.00 0.00 0.00 76 L H H 76.75 6.52 24.74 31.06 91.88 49.97 -64.28 -42.47 0.63 0.00 99.37 0.04 0.03 0.48 99.38 0.08 0.00 0.00 0.00 77 V H H 43.86 11.29 23.36 35.01 91.81 49.00 -64.20 -42.76 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 78 A H H 20.26 15.04 20.90 36.19 91.37 50.96 -62.82 -42.53 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 79 T H H 51.04 9.06 23.70 32.73 91.74 49.83 -64.56 -41.55 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 80 E H H 71.80 9.30 23.57 33.00 92.04 50.53 -64.71 -41.86 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 81 V H H 34.70 13.64 21.17 34.98 91.97 50.13 -63.90 -42.54 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 82 L H H 57.08 11.26 21.78 33.17 91.47 50.42 -63.26 -41.63 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 83 M H H 74.84 8.23 21.89 30.24 91.66 50.51 -64.53 -41.58 0.10 0.00 99.90 0.00 0.00 0.08 99.89 0.03 0.00 0.00 0.00 84 W H H 99.04 9.81 21.71 31.71 92.02 49.92 -64.30 -41.91 0.11 0.00 99.89 0.00 0.00 0.11 99.84 0.05 0.00 0.00 0.00 85 F H H 64.49 12.26 20.70 33.07 92.06 49.41 -65.18 -42.23 0.23 0.00 99.77 0.01 0.01 0.21 99.69 0.07 0.00 0.00 0.00 86 Y H H 80.50 10.41 21.65 32.12 92.20 49.33 -64.86 -42.31 0.66 0.00 99.34 0.04 0.04 0.55 99.25 0.12 0.00 0.00 0.00 87 V H H 57.66 8.30 22.37 30.82 91.96 49.16 -64.71 -42.09 0.69 0.00 99.31 0.07 0.05 0.52 99.11 0.25 0.00 0.00 0.00 88 G H H 18.00 9.91 20.17 31.28 91.69 51.03 -64.29 -41.92 0.98 0.00 99.02 0.11 0.06 0.68 98.78 0.36 0.00 0.00 0.00 89 E H H 59.97 11.02 20.22 31.64 92.13 50.44 -65.05 -40.94 1.91 0.03 98.06 0.22 0.14 1.42 97.57 0.62 0.01 0.02 0.01 90 I H H 62.64 8.42 20.06 28.98 92.32 49.40 -65.28 -42.04 3.28 0.14 96.59 0.54 0.33 2.30 95.87 0.83 0.01 0.09 0.02 91 I H H 75.66 5.54 19.91 26.03 92.64 48.78 -65.84 -41.23 8.16 0.35 91.49 1.63 1.12 5.53 89.93 1.43 0.05 0.23 0.09 92 A H H 33.47 8.54 15.68 26.02 92.37 51.08 -65.97 -38.70 22.07 0.45 77.48 5.70 2.94 14.15 74.42 2.30 0.06 0.21 0.21 93 R H H 102.24 7.95 15.18 24.07 93.22 51.56 -68.63 -35.11 32.66 1.09 66.25 11.31 6.02 17.32 60.57 3.64 0.10 0.53 0.52 94 A H H 64.61 4.73 14.16 20.00 95.04 54.24 -69.93 -31.38 45.29 1.06 53.65 15.26 7.83 23.95 46.13 5.66 0.10 0.50 0.58 95 Q C T 118.42 3.28 12.84 17.16 97.82 51.46 -82.92 -17.79 61.60 1.15 37.25 20.02 10.92 31.69 30.13 6.02 0.04 0.50 0.67 96 H C T 131.40 3.46 11.82 16.51 101.42 39.54 -90.15 9.33 77.46 1.01 21.52 25.00 16.63 36.66 15.38 5.24 0.01 0.42 0.66 97 G C C 54.94 2.58 13.12 16.78 103.28 -101.18 79.39 15.28 95.76 1.43 2.82 51.13 20.66 24.31 1.00 1.55 0.00 0.76 0.59 98 I C C 86.11 7.79 9.04 18.36 114.90 142.81 -93.31 127.54 95.60 3.96 0.44 78.82 15.82 1.16 0.19 0.23 0.00 2.18 1.60 99 P C C 85.77 4.58 12.05 18.23 112.65 -117.81 -70.94 143.26 95.33 3.91 0.75 87.57 5.26 2.51 0.23 0.44 0.00 2.95 1.03 100 T C C 93.26 5.09 10.54 17.49 112.39 -140.57 -92.71 124.82 90.57 8.47 0.96 86.92 1.43 2.71 0.32 0.42 0.00 5.78 2.43 101 I C C 98.71 7.79 12.11 20.94 110.49 -161.99 -93.78 106.63 99.59 0.41 0.00 99.64 0.07 0.01 0.00 0.00 0.00 0.25 0.02