# 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 107.66 6.38 13.19 20.71 113.97 -153.66 -88.74 132.93 99.94 0.03 0.03 99.88 0.05 0.04 0.02 0.00 0.00 0.01 0.00 1 A C C 60.31 7.07 9.95 18.35 108.76 -113.55 -72.97 143.66 84.18 0.94 14.88 77.45 1.05 6.43 12.27 1.84 0.00 0.44 0.51 2 N C C 115.52 2.49 11.58 15.30 103.06 -141.29 -85.21 12.49 81.80 1.11 17.09 55.81 14.68 10.14 15.50 2.77 0.00 0.46 0.64 3 I C H 89.07 5.81 9.47 16.90 106.87 90.79 -84.07 86.75 59.74 1.11 39.14 33.09 20.27 6.75 36.42 2.52 0.01 0.37 0.57 4 K H H 139.61 2.06 13.35 16.05 94.80 58.49 -64.54 -37.63 23.67 0.29 76.04 11.12 5.23 8.25 71.71 3.40 0.01 0.12 0.14 5 S H H 60.67 2.66 14.14 17.36 93.83 50.88 -66.89 -38.63 21.63 0.24 78.13 10.27 3.82 8.39 74.03 3.26 0.01 0.10 0.12 6 A H H 39.36 6.64 12.27 20.98 92.98 52.60 -65.53 -39.69 12.91 0.15 86.94 7.79 2.08 3.55 84.16 2.28 0.00 0.07 0.07 7 K H H 110.91 4.46 15.37 20.71 92.46 51.92 -64.75 -40.76 6.06 0.08 93.86 3.53 0.96 1.89 92.52 1.03 0.00 0.04 0.03 8 K H H 121.62 2.19 17.46 19.41 92.38 50.52 -65.25 -40.91 3.94 0.05 96.01 2.06 0.54 1.40 95.30 0.65 0.00 0.02 0.02 9 R H H 128.59 3.52 17.31 21.38 92.56 50.07 -65.65 -40.44 2.81 0.03 97.16 1.40 0.36 1.02 96.74 0.45 0.00 0.01 0.01 10 A H H 39.83 7.11 15.41 24.05 92.30 50.99 -64.64 -41.44 2.27 0.02 97.71 1.05 0.26 0.83 97.53 0.32 0.00 0.01 0.01 11 I H H 86.41 3.30 18.63 22.02 92.04 49.32 -64.69 -41.93 2.07 0.02 97.91 0.87 0.24 0.82 97.79 0.27 0.00 0.01 0.01 12 Q H H 94.60 3.28 19.27 22.45 92.38 49.29 -65.55 -40.97 2.17 0.01 97.81 0.84 0.25 0.89 97.79 0.22 0.00 0.00 0.00 13 S H H 40.22 6.97 16.39 24.95 92.49 50.62 -65.19 -40.56 2.77 0.01 97.22 1.06 0.32 1.13 97.26 0.22 0.00 0.00 0.00 14 E H H 94.33 4.49 18.45 23.31 92.01 50.43 -65.14 -40.96 2.05 0.01 97.95 0.72 0.22 0.88 97.98 0.19 0.00 0.00 0.00 15 K H H 112.17 2.53 19.91 21.80 91.97 49.89 -64.85 -41.01 1.76 0.00 98.24 0.55 0.19 0.82 98.26 0.17 0.00 0.00 0.00 16 A H H 40.66 7.61 16.57 25.66 92.19 50.83 -64.55 -41.12 1.62 0.00 98.38 0.50 0.17 0.75 98.40 0.17 0.00 0.00 0.00 17 R H H 117.48 6.71 17.73 25.23 92.23 50.68 -64.36 -40.71 1.63 0.01 98.36 0.48 0.17 0.78 98.38 0.18 0.00 0.00 0.00 18 K H H 124.41 2.21 20.45 21.76 91.98 49.58 -64.93 -41.21 1.66 0.01 98.34 0.44 0.17 0.86 98.34 0.19 0.00 0.00 0.00 19 H H H 97.63 4.08 19.74 24.02 92.21 48.96 -64.95 -41.33 2.07 0.01 97.92 0.51 0.22 1.12 97.94 0.20 0.00 0.00 0.00 20 N H H 40.58 12.95 16.16 29.80 92.34 50.20 -65.22 -40.17 2.56 0.01 97.44 0.64 0.26 1.39 97.50 0.21 0.00 0.00 0.00 21 A H H 50.46 5.35 19.68 25.70 91.93 51.13 -63.89 -41.18 1.20 0.00 98.80 0.31 0.12 0.58 98.86 0.13 0.00 0.00 0.00 22 S H H 61.30 2.36 22.20 23.14 92.02 50.12 -64.76 -41.29 1.05 0.00 98.94 0.25 0.09 0.55 98.98 0.12 0.00 0.00 0.00 23 R H H 74.18 12.00 18.83 31.07 92.05 49.44 -65.20 -41.59 0.77 0.00 99.22 0.14 0.06 0.44 99.24 0.10 0.00 0.00 0.00 24 R H H 77.42 14.64 18.02 32.17 91.44 51.76 -63.05 -41.39 0.46 0.00 99.54 0.09 0.04 0.25 99.55 0.07 0.00 0.00 0.00 25 S H H 61.52 2.46 23.32 24.36 91.59 50.48 -64.26 -40.97 0.52 0.00 99.48 0.09 0.03 0.29 99.52 0.06 0.00 0.00 0.00 26 M H H 86.70 4.85 22.33 27.37 91.66 49.85 -64.82 -41.31 0.64 0.00 99.36 0.07 0.03 0.40 99.43 0.07 0.00 0.00 0.00 27 M H H 15.03 21.02 15.86 36.90 91.82 50.40 -64.44 -42.47 0.44 0.00 99.56 0.05 0.02 0.24 99.64 0.04 0.00 0.00 0.00 28 R H H 111.10 8.71 21.52 30.61 91.42 51.38 -62.74 -41.48 0.35 0.00 99.65 0.06 0.02 0.18 99.71 0.04 0.00 0.00 0.00 29 T H H 73.53 2.12 24.31 24.49 91.55 49.61 -64.04 -41.89 0.38 0.00 99.62 0.05 0.02 0.23 99.66 0.04 0.00 0.00 0.00 30 F H H 36.29 14.40 20.06 34.84 92.05 49.51 -64.90 -42.39 0.27 0.00 99.73 0.03 0.01 0.17 99.76 0.03 0.00 0.00 0.00 31 I H H 19.04 20.76 17.97 38.27 91.34 51.39 -62.59 -42.87 0.17 0.00 99.83 0.02 0.01 0.11 99.85 0.02 0.00 0.00 0.00 32 K H H 118.81 3.12 24.48 27.45 91.20 50.91 -63.49 -41.06 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 33 K H H 106.67 4.32 24.49 28.81 91.87 49.56 -65.06 -41.11 0.12 0.00 99.88 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 34 V H H 5.83 23.04 17.53 40.74 91.63 49.98 -64.38 -43.55 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 35 Y H H 78.51 13.47 22.24 35.11 91.43 49.93 -63.01 -42.28 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 36 A H H 54.35 2.37 24.44 25.31 91.36 50.41 -63.56 -42.41 0.19 0.00 99.81 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 37 A H H 16.26 10.33 17.68 30.22 91.65 50.12 -64.17 -41.58 0.37 0.00 99.63 0.04 0.02 0.23 99.61 0.10 0.00 0.00 0.00 38 I H H 25.65 18.79 13.68 32.17 92.08 50.42 -64.61 -41.94 0.78 0.00 99.22 0.07 0.04 0.57 98.97 0.34 0.00 0.00 0.00 39 E H H 135.41 2.85 18.28 22.10 90.90 52.30 -64.96 -32.59 4.07 0.00 95.93 0.11 0.16 3.69 95.71 0.34 0.00 0.00 0.00 40 A C T 77.82 1.77 16.91 18.08 91.87 52.70 -83.71 -7.35 59.63 0.01 40.36 0.41 1.43 56.10 41.40 0.64 0.00 0.00 0.01 41 G C T 49.61 5.21 13.86 20.72 95.07 -112.98 82.43 10.87 99.76 0.01 0.23 4.41 3.41 92.01 0.12 0.04 0.00 0.00 0.00 42 D C C 74.06 4.98 15.91 22.49 105.32 142.37 -88.39 98.07 99.54 0.11 0.35 98.88 0.61 0.16 0.20 0.04 0.00 0.03 0.08 43 K H H 102.76 11.66 13.63 25.92 94.25 -174.08 -65.61 -35.88 5.23 0.01 94.76 1.77 0.93 2.18 94.43 0.68 0.00 0.00 0.00 44 A H H 76.24 1.56 22.19 21.98 91.87 53.85 -63.91 -41.70 2.25 0.00 97.75 0.29 0.23 1.52 97.25 0.72 0.00 0.00 0.00 45 A H H 38.48 6.00 19.76 26.97 91.86 48.30 -65.72 -40.50 0.87 0.00 99.13 0.17 0.07 0.49 98.68 0.59 0.00 0.00 0.00 46 A H H 4.81 21.91 12.98 35.19 91.46 52.09 -63.93 -42.72 0.43 0.00 99.56 0.09 0.03 0.21 99.44 0.23 0.00 0.00 0.00 47 Q H H 84.89 8.39 22.54 31.14 91.56 51.51 -63.46 -41.24 0.30 0.00 99.70 0.04 0.01 0.16 99.70 0.09 0.00 0.00 0.00 48 K H H 122.20 1.73 25.82 25.47 91.75 49.82 -64.18 -41.75 0.37 0.00 99.63 0.03 0.01 0.25 99.62 0.08 0.00 0.00 0.00 49 A H H 12.78 15.38 19.47 35.66 91.68 50.15 -64.22 -42.14 0.54 0.00 99.46 0.04 0.02 0.37 99.45 0.12 0.00 0.00 0.00 50 F H H 20.02 22.05 17.55 38.96 91.44 51.21 -62.88 -41.87 0.39 0.00 99.60 0.03 0.01 0.27 99.45 0.23 0.00 0.00 0.00 51 N H H 97.14 3.39 24.05 27.53 91.65 50.62 -64.42 -38.83 1.08 0.00 98.92 0.02 0.02 0.98 98.63 0.34 0.00 0.00 0.00 52 E H H 105.64 3.93 24.04 27.83 92.37 49.57 -67.98 -37.82 7.60 0.00 92.40 0.05 0.09 8.08 91.26 0.51 0.00 0.00 0.00 53 M H H 8.71 22.94 16.38 39.20 93.77 48.93 -74.65 -32.21 5.69 0.00 94.31 0.08 0.16 5.53 93.87 0.35 0.00 0.00 0.00 54 Q H H 59.82 16.32 19.71 34.92 91.94 61.01 -60.02 -43.85 0.47 0.00 99.53 0.06 0.02 0.26 99.46 0.20 0.00 0.00 0.00 55 P H H 76.44 2.15 25.34 25.69 91.25 50.39 -63.30 -40.88 0.22 0.00 99.78 0.02 0.01 0.14 99.64 0.18 0.00 0.00 0.00 56 I H H 42.17 11.10 22.08 33.86 91.75 49.09 -64.77 -42.34 0.08 0.00 99.92 0.01 0.00 0.05 99.83 0.11 0.00 0.00 0.00 57 V H H 5.27 24.02 16.49 40.66 91.52 49.11 -63.62 -43.09 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 58 D H H 68.40 7.00 22.73 30.10 91.36 50.80 -63.16 -41.57 0.23 0.00 99.77 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 59 R H H 129.91 2.28 23.93 24.86 91.91 49.35 -64.97 -41.22 0.39 0.00 99.61 0.02 0.01 0.28 99.63 0.06 0.00 0.00 0.00 60 Q H H 24.42 13.67 16.86 31.81 92.15 49.14 -65.82 -40.77 0.70 0.00 99.30 0.07 0.05 0.47 99.27 0.14 0.00 0.00 0.00 61 A H H 23.96 14.44 13.92 28.94 91.87 51.74 -63.83 -41.28 1.76 0.00 98.23 0.18 0.11 1.32 97.93 0.45 0.00 0.00 0.00 62 A H H 84.84 1.73 18.00 19.62 90.92 53.36 -65.23 -31.37 7.64 0.01 92.35 0.20 0.28 7.42 91.61 0.47 0.01 0.00 0.00 63 K C T 126.93 3.04 15.74 19.48 92.64 53.00 -85.82 -2.37 81.32 0.02 18.66 0.22 1.59 79.02 18.56 0.58 0.00 0.00 0.02 64 G C T 52.25 3.67 15.86 20.87 95.47 -111.80 79.40 13.19 99.67 0.01 0.32 0.44 3.68 95.67 0.16 0.05 0.00 0.00 0.00 65 L C S 62.31 10.55 15.70 27.32 94.73 122.35 -77.73 -29.98 99.86 0.10 0.05 3.43 95.19 1.28 0.02 0.01 0.00 0.03 0.04 66 I C S 16.38 20.53 11.15 31.33 132.32 23.02 -135.45 149.18 98.40 1.52 0.08 5.65 92.46 0.65 0.04 0.01 0.00 0.28 0.91 67 H C C 106.24 3.09 20.97 23.30 116.13 -103.39 -70.10 150.11 99.63 0.27 0.11 98.91 0.74 0.06 0.06 0.01 0.00 0.09 0.13 68 K H H 126.01 8.22 13.09 22.83 91.42 -114.17 -58.04 -38.24 14.85 0.04 85.11 1.38 1.85 11.45 80.57 4.68 0.03 0.01 0.03 69 N H H 117.79 1.05 20.18 19.09 91.73 53.42 -64.95 -38.65 11.11 0.02 88.86 0.82 0.97 9.08 84.85 4.22 0.02 0.01 0.02 70 K H H 81.73 7.49 19.07 27.32 92.30 48.61 -67.43 -39.44 4.23 0.03 95.74 1.04 0.55 2.51 92.27 3.59 0.00 0.01 0.01 71 A H H 5.78 20.78 12.49 33.61 91.47 52.60 -62.82 -42.72 1.65 0.01 98.34 0.45 0.19 0.86 97.59 0.91 0.00 0.00 0.00 72 A H H 54.16 4.49 21.38 26.16 91.51 51.48 -63.48 -41.06 1.01 0.00 98.99 0.26 0.10 0.50 98.73 0.40 0.00 0.00 0.00 73 R H H 142.16 1.69 23.52 23.29 92.02 49.55 -64.61 -41.47 0.78 0.00 99.21 0.16 0.07 0.43 99.11 0.23 0.00 0.00 0.00 74 H H H 42.34 15.38 18.49 33.80 92.10 48.73 -65.25 -41.29 0.89 0.00 99.11 0.16 0.07 0.52 99.08 0.17 0.00 0.00 0.00 75 K H H 64.73 16.40 18.56 34.00 91.37 51.93 -62.06 -42.19 1.47 0.00 98.53 0.26 0.13 0.88 98.55 0.17 0.00 0.00 0.00 76 A H H 62.96 2.19 23.86 24.38 91.54 50.39 -63.85 -41.07 1.67 0.00 98.33 0.29 0.13 0.97 98.47 0.13 0.00 0.00 0.00 77 N H H 80.25 4.52 22.86 27.38 91.85 49.30 -65.29 -40.63 1.77 0.00 98.23 0.28 0.11 1.11 98.33 0.15 0.00 0.00 0.00 78 L H H 10.82 21.23 15.71 37.12 91.83 50.62 -64.26 -42.54 0.83 0.00 99.17 0.17 0.06 0.43 99.16 0.17 0.00 0.00 0.00 79 T H H 55.39 9.18 20.84 30.51 91.59 51.11 -63.12 -41.99 0.52 0.00 99.48 0.11 0.03 0.26 99.48 0.11 0.00 0.00 0.00 80 A H H 57.30 1.98 22.50 22.65 91.55 50.63 -63.48 -42.12 0.41 0.00 99.59 0.06 0.03 0.23 99.57 0.11 0.00 0.00 0.00 81 Q H H 63.31 9.02 18.92 28.88 92.15 49.33 -65.62 -40.74 0.57 0.00 99.43 0.08 0.03 0.34 99.34 0.20 0.00 0.00 0.00 82 I H H 22.12 18.51 13.11 31.68 91.88 50.81 -64.13 -41.82 0.86 0.00 99.14 0.11 0.06 0.55 98.79 0.48 0.00 0.00 0.00 83 N H H 106.66 2.63 17.61 20.90 91.70 51.26 -64.62 -36.83 4.05 0.00 95.94 0.36 0.23 3.10 94.89 1.41 0.00 0.00 0.00 84 K H H 145.22 1.59 16.38 17.74 92.17 52.41 -68.25 -30.04 19.92 0.02 80.06 1.17 0.83 17.24 78.99 1.74 0.00 0.01 0.01 85 L H H 66.06 11.32 10.77 22.68 95.35 55.27 -79.63 -17.25 40.62 0.10 59.28 13.21 1.15 24.40 59.71 1.41 0.00 0.03 0.08 86 A C C 64.70 7.81 13.78 22.66 104.12 89.33 -71.33 56.18 99.89 0.01 0.10 99.67 0.09 0.14 0.09 0.00 0.00 0.00 0.00