# 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 93.39 8.82 11.16 20.85 115.21 -160.12 -91.52 135.93 99.93 0.03 0.04 99.85 0.07 0.04 0.02 0.00 0.00 0.01 0.00 1 S C C 67.44 3.81 10.61 15.86 112.72 -135.17 -84.22 144.88 84.97 0.97 14.06 81.59 0.87 3.17 12.35 1.14 0.00 0.43 0.45 2 E C H 135.61 2.57 10.05 13.91 98.62 -116.61 -72.48 -24.51 54.46 1.66 43.88 37.73 9.28 8.00 39.18 4.32 0.01 0.82 0.65 3 E H H 115.34 3.77 9.96 15.28 98.12 64.81 -73.29 -28.61 43.41 1.46 55.13 29.13 7.99 7.67 48.19 5.73 0.01 0.81 0.48 4 Q H H 104.74 4.40 11.07 16.91 96.90 60.15 -72.99 -31.18 37.83 1.43 60.74 26.22 6.54 6.70 53.02 6.24 0.01 0.82 0.44 5 Q H H 109.95 3.88 11.97 17.22 97.54 59.88 -73.09 -28.05 38.36 1.25 60.39 25.81 6.61 7.25 53.96 5.25 0.01 0.68 0.41 6 K H H 120.63 4.64 12.12 18.05 99.26 56.42 -80.80 -12.84 45.66 1.31 53.04 30.87 7.31 8.15 48.13 4.39 0.01 0.67 0.47 7 V C H 84.59 5.89 11.83 19.06 102.39 73.58 -79.60 -19.09 53.81 1.45 44.75 35.75 9.35 8.53 41.70 3.42 0.01 0.69 0.55 8 L C C 98.49 5.26 12.84 19.34 104.64 63.51 -84.07 0.58 63.35 1.31 35.34 38.66 15.09 8.97 33.13 2.99 0.01 0.55 0.60 9 A C C 59.52 5.63 13.23 20.24 113.75 87.74 -80.96 143.63 79.01 0.76 20.23 49.69 22.67 5.67 18.78 2.49 0.00 0.29 0.40 10 P C C 71.23 7.82 11.79 20.97 108.24 -84.28 -69.54 142.56 79.16 0.93 19.91 65.42 6.71 6.56 16.59 3.78 0.00 0.45 0.48 11 K C C 123.22 5.20 12.05 18.66 107.07 -126.84 -82.97 120.93 76.89 1.82 21.29 63.01 7.86 5.79 16.47 4.94 0.00 0.80 1.14 12 R C C 152.52 3.80 12.02 17.31 100.92 52.58 -73.43 -16.13 59.21 2.12 38.67 32.94 11.00 15.81 21.59 16.50 0.02 1.04 1.09 13 E C C 122.00 4.41 11.63 17.50 103.30 62.73 -84.35 2.56 57.96 1.45 40.59 25.45 11.76 21.18 20.93 19.13 0.03 0.69 0.84 14 C C T 78.43 5.78 11.29 18.50 103.01 74.10 -87.10 10.23 61.41 1.38 37.21 22.83 14.66 24.59 18.25 18.10 0.04 0.62 0.91 15 G C C 43.65 5.43 13.09 19.72 105.98 -52.05 48.55 -10.54 72.37 1.19 26.44 34.27 16.68 21.99 13.87 11.82 0.01 0.47 0.90 16 L C C 101.40 5.69 12.73 19.72 105.69 77.05 -86.48 32.02 73.73 1.74 24.53 35.81 17.70 20.88 13.70 10.02 0.01 0.75 1.13 17 H C C 109.63 7.22 12.17 20.49 109.10 89.32 -86.88 92.95 76.22 1.73 22.05 38.39 17.74 20.68 12.02 9.36 0.01 0.80 1.02 18 S C C 69.41 5.56 13.56 20.37 106.44 98.46 -88.29 69.13 76.56 2.14 21.30 48.80 14.73 13.06 13.86 7.33 0.00 1.04 1.16 19 S C C 65.86 6.87 12.38 20.39 105.56 81.59 -86.84 29.05 78.36 1.74 19.90 46.92 18.98 12.40 15.13 4.82 0.00 0.75 1.00 20 G C C 34.04 6.40 13.19 20.78 116.33 -122.04 -82.07 173.79 74.75 1.18 24.07 50.56 17.03 6.13 22.85 2.35 0.00 0.41 0.66 21 K H H 147.23 2.17 14.66 17.32 94.51 -81.68 -65.20 -35.79 13.07 0.18 86.75 4.93 3.41 5.41 83.97 2.10 0.02 0.07 0.09 22 R H H 136.37 3.49 15.57 19.75 92.75 52.60 -66.34 -39.29 9.83 0.18 89.99 3.46 1.68 5.01 87.41 2.26 0.02 0.09 0.07 23 V H H 39.66 11.47 13.38 25.92 93.28 50.15 -66.88 -40.04 6.59 0.16 93.25 3.28 0.99 2.62 91.12 1.84 0.01 0.09 0.05 24 N H H 75.19 6.06 16.84 23.90 92.32 52.57 -64.16 -41.61 3.14 0.06 96.80 1.66 0.42 1.08 96.17 0.61 0.00 0.03 0.02 25 F H H 113.18 2.48 19.11 20.99 92.19 49.71 -64.62 -42.04 1.66 0.03 98.31 0.67 0.20 0.72 98.03 0.36 0.00 0.01 0.01 26 A H H 38.00 8.43 17.21 26.76 92.15 49.83 -65.06 -41.64 1.01 0.01 98.97 0.34 0.11 0.49 98.81 0.25 0.00 0.00 0.00 27 R H H 77.74 13.17 16.29 29.48 91.99 51.75 -63.67 -40.90 0.88 0.01 99.11 0.23 0.08 0.46 99.01 0.20 0.00 0.00 0.00 28 K H H 110.76 3.81 19.71 23.77 91.85 50.89 -64.63 -40.46 1.13 0.01 98.86 0.25 0.10 0.64 98.78 0.22 0.00 0.00 0.00 29 I H H 79.68 3.85 19.45 23.42 91.96 49.80 -64.52 -42.51 1.44 0.02 98.54 0.29 0.14 0.88 98.42 0.26 0.00 0.01 0.00 30 V H H 29.88 12.59 14.96 28.83 92.20 49.38 -65.18 -42.27 2.24 0.05 97.71 0.45 0.27 1.42 97.48 0.34 0.01 0.02 0.01 31 H H H 72.96 10.78 14.57 26.11 92.13 50.60 -64.61 -40.50 3.21 0.06 96.73 0.65 0.37 2.11 96.10 0.71 0.02 0.03 0.02 32 E H H 133.25 1.86 17.32 18.93 93.39 48.22 -68.73 -37.83 4.88 0.05 95.07 0.46 0.41 4.06 94.09 0.90 0.03 0.02 0.02 33 L H H 97.91 4.71 16.23 21.46 98.71 38.79 -83.52 -37.32 11.99 0.06 87.94 0.45 0.98 10.90 86.62 0.92 0.07 0.02 0.03 34 V H H 58.07 10.00 13.82 24.74 101.70 25.63 -103.30 -14.71 26.72 0.26 73.02 1.68 5.35 19.74 71.92 0.90 0.16 0.07 0.18 35 G C C 39.39 4.70 17.41 23.14 102.03 -118.52 81.51 6.80 97.71 0.61 1.69 43.34 37.43 17.04 0.78 0.82 0.00 0.27 0.31 36 W C C 89.27 12.42 13.44 26.36 118.52 80.47 -106.80 138.85 94.11 2.40 3.50 66.05 23.10 4.50 2.30 1.16 0.00 0.78 2.11 37 Q C C 61.95 8.66 16.42 26.42 118.92 -142.77 -81.46 155.23 78.23 0.37 21.40 60.43 12.56 3.65 21.89 1.12 0.00 0.11 0.24 38 P H H 66.40 7.61 17.41 26.25 92.97 -107.48 -59.47 -36.07 19.50 0.11 80.39 3.85 3.36 12.64 77.14 2.87 0.03 0.04 0.07 39 Y H H 87.15 10.87 18.21 29.47 92.71 52.87 -66.06 -38.38 12.56 0.11 87.33 2.56 1.72 8.48 83.95 3.15 0.04 0.05 0.06 40 E H H 53.55 13.86 17.36 31.29 92.54 51.42 -65.78 -39.63 5.71 0.06 94.23 2.25 0.81 2.71 91.74 2.44 0.00 0.03 0.02 41 R H H 108.85 7.52 20.10 28.13 92.12 51.32 -65.11 -41.03 1.86 0.02 98.13 0.68 0.23 0.85 97.48 0.75 0.00 0.01 0.00 42 H H H 85.98 6.98 21.35 28.78 91.92 50.02 -65.07 -41.25 1.49 0.01 98.50 0.42 0.15 0.79 98.00 0.62 0.00 0.01 0.00 43 T H H 21.15 15.64 18.14 34.20 92.09 50.58 -64.46 -42.34 1.41 0.01 98.58 0.31 0.11 0.82 98.17 0.57 0.00 0.01 0.00 44 M H H 51.17 11.46 19.56 31.69 91.93 50.96 -63.90 -41.38 1.01 0.01 98.99 0.20 0.09 0.59 98.48 0.64 0.00 0.00 0.00 45 D H H 64.54 4.50 21.61 26.33 91.78 51.27 -64.28 -40.56 1.87 0.01 98.12 0.25 0.13 1.32 97.09 1.21 0.00 0.00 0.00 46 L H H 38.46 10.06 17.53 29.18 91.85 50.94 -65.24 -40.54 3.11 0.02 96.88 0.35 0.24 2.32 94.97 2.10 0.01 0.01 0.00 47 I H H 35.60 13.88 15.04 29.69 92.47 50.71 -66.13 -39.59 8.94 0.07 90.99 1.26 0.93 6.72 88.73 2.27 0.03 0.03 0.03 48 K H H 117.62 4.38 17.42 22.55 93.43 51.03 -68.91 -35.89 25.27 0.22 74.51 3.27 2.89 19.39 71.86 2.30 0.07 0.09 0.13 49 I H H 92.74 4.50 14.38 19.90 98.69 47.67 -80.72 -29.27 45.38 0.61 54.01 9.48 11.63 24.96 50.14 3.09 0.09 0.21 0.39 50 E C H 106.91 5.78 12.99 19.89 99.91 43.91 -80.36 -19.66 52.57 0.67 46.77 18.19 10.52 24.63 39.88 6.06 0.05 0.28 0.39 51 R C H 160.44 3.56 14.49 19.31 97.16 -113.61 -30.23 7.95 57.74 0.67 41.59 23.14 11.97 23.26 34.44 6.48 0.03 0.27 0.40 52 R C H 102.89 9.50 12.62 22.91 104.25 107.66 -87.80 71.05 56.53 0.54 42.93 38.54 7.05 10.33 39.15 4.41 0.00 0.22 0.30 53 R H H 141.70 4.73 15.87 22.00 95.28 -166.13 -64.96 -34.98 12.03 0.10 87.87 5.99 2.23 3.86 86.04 1.79 0.00 0.04 0.05 54 A H H 53.30 3.94 18.89 23.23 92.88 56.71 -64.49 -40.69 5.46 0.06 94.48 1.95 0.75 2.65 92.80 1.78 0.01 0.03 0.02 55 A H H 17.40 13.58 15.47 30.33 92.25 51.69 -64.30 -41.24 3.40 0.04 96.56 1.32 0.42 1.57 94.87 1.78 0.00 0.02 0.01 56 R H H 66.80 13.27 16.58 30.16 92.10 52.14 -63.90 -41.25 1.65 0.02 98.33 0.55 0.19 0.78 97.50 0.97 0.00 0.01 0.00 57 Q H H 95.83 2.80 21.63 23.59 92.09 50.34 -64.52 -41.27 1.48 0.01 98.51 0.41 0.14 0.79 98.05 0.60 0.00 0.01 0.00 58 F H H 75.73 5.70 19.46 26.09 91.87 49.57 -64.69 -42.19 1.58 0.02 98.40 0.36 0.16 0.94 97.80 0.74 0.00 0.01 0.00 59 L H H 17.08 16.10 13.34 30.48 91.75 51.08 -64.25 -41.86 1.62 0.02 98.36 0.37 0.19 0.93 98.07 0.42 0.00 0.01 0.00 60 K H H 93.77 8.25 15.23 24.57 91.99 52.20 -64.18 -39.00 1.74 0.01 98.25 0.32 0.18 1.06 98.06 0.38 0.00 0.00 0.00 61 K H H 153.28 1.08 17.54 17.28 92.66 50.45 -67.65 -37.78 2.96 0.01 97.03 0.23 0.21 2.36 96.66 0.53 0.01 0.00 0.00 62 R H H 133.54 4.33 15.61 20.89 98.95 37.73 -84.17 -36.93 7.11 0.02 92.88 0.27 0.49 6.30 92.38 0.53 0.02 0.00 0.01 63 L H H 64.45 9.54 11.85 22.47 102.95 25.32 -103.64 -15.00 16.61 0.09 83.31 1.36 3.09 11.84 83.17 0.41 0.04 0.02 0.06 64 G C S 49.35 2.25 16.22 18.81 101.21 -124.55 79.27 -4.28 98.83 0.26 0.91 40.23 51.31 7.39 0.49 0.32 0.00 0.09 0.16 65 T C S 63.63 3.38 16.60 20.52 131.86 28.14 -135.98 158.33 96.95 1.07 1.97 45.92 49.11 1.79 1.70 0.32 0.00 0.23 0.91 66 H H H 108.67 8.74 12.51 22.39 92.54 -118.73 -62.14 -36.01 10.12 0.07 89.81 2.59 5.12 2.98 88.69 0.56 0.01 0.01 0.04 67 R H H 161.40 1.28 18.37 18.44 91.82 53.69 -63.32 -42.00 2.46 0.01 97.53 0.33 0.34 1.58 97.29 0.45 0.00 0.00 0.00 68 R H H 102.61 4.45 18.31 23.47 92.20 47.54 -65.87 -40.00 0.98 0.00 99.02 0.21 0.10 0.57 98.63 0.50 0.00 0.00 0.00 69 A H H 8.21 16.75 12.14 30.04 91.08 51.85 -62.73 -42.62 0.37 0.00 99.63 0.08 0.03 0.19 99.51 0.20 0.00 0.00 0.00 70 M H H 91.25 5.35 19.91 25.90 91.71 50.79 -63.86 -41.20 0.26 0.00 99.74 0.05 0.02 0.14 99.72 0.08 0.00 0.00 0.00 71 K H H 120.39 1.71 22.02 21.84 91.79 49.67 -64.84 -41.84 0.22 0.00 99.78 0.03 0.01 0.13 99.78 0.05 0.00 0.00 0.00 72 K H H 72.53 10.57 18.74 29.79 92.25 48.92 -65.84 -40.68 0.26 0.00 99.74 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 73 L H H 37.96 14.89 16.34 31.55 91.73 51.60 -63.43 -41.97 0.19 0.00 99.81 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 74 N H H 88.26 2.30 22.37 23.39 91.68 50.25 -63.87 -41.29 0.24 0.00 99.76 0.03 0.01 0.13 99.79 0.03 0.00 0.00 0.00 75 T H H 67.09 3.81 21.36 25.04 91.67 49.52 -64.60 -41.61 0.35 0.00 99.65 0.04 0.02 0.21 99.68 0.05 0.00 0.00 0.00 76 L H H 26.21 16.05 16.11 32.82 91.82 50.14 -64.54 -41.12 0.34 0.00 99.66 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 77 E H H 86.55 6.92 19.88 27.49 91.48 51.88 -63.41 -40.75 0.21 0.00 99.79 0.03 0.01 0.11 99.82 0.02 0.00 0.00 0.00 78 E H H 107.75 2.03 22.03 22.46 91.75 50.06 -64.84 -41.08 0.16 0.00 99.84 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 79 V H H 40.51 9.32 18.52 29.17 91.94 50.03 -64.44 -43.00 0.10 0.00 99.90 0.01 0.01 0.06 99.91 0.02 0.00 0.00 0.00 80 V H H 38.69 11.55 17.27 29.86 91.93 49.55 -64.11 -41.99 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 81 Q H H 97.43 2.75 20.33 22.62 91.65 50.22 -64.02 -41.57 0.13 0.00 99.87 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 82 E H H 96.14 3.36 19.11 22.46 91.99 49.75 -65.05 -41.16 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 83 E H H 63.72 8.44 15.87 25.69 92.01 50.42 -64.81 -40.78 0.43 0.00 99.57 0.05 0.02 0.27 99.58 0.08 0.00 0.00 0.00 84 S H H 47.78 4.58 15.98 21.89 91.89 51.58 -64.12 -40.55 1.32 0.00 98.67 0.16 0.08 0.88 98.68 0.21 0.00 0.00 0.00 85 L H H 91.06 2.04 15.91 17.73 92.09 50.38 -65.24 -39.64 3.42 0.01 96.57 0.49 0.26 2.33 96.32 0.59 0.00 0.00 0.00 86 H H H 95.36 3.60 13.11 17.93 92.38 51.68 -66.10 -39.24 6.42 0.02 93.56 1.29 0.69 4.05 92.62 1.32 0.00 0.01 0.01 87 H H H 112.88 3.55 11.60 16.56 93.22 51.45 -67.74 -35.24 14.22 0.05 85.73 2.75 1.49 9.49 83.70 2.50 0.01 0.02 0.03 88 H H H 143.23 1.47 10.86 12.85 93.91 52.85 -71.39 -25.97 31.27 0.15 68.57 6.78 3.36 20.98 66.03 2.67 0.02 0.06 0.10 89 H C H 142.62 1.73 8.98 11.80 99.03 58.36 -83.52 -7.18 57.49 0.28 42.24 29.42 1.70 24.70 42.11 1.79 0.00 0.10 0.18 90 E C C 138.77 2.70 10.87 15.17 103.95 102.23 -79.03 63.60 99.93 0.02 0.05 99.80 0.07 0.09 0.03 0.00 0.00 0.01 0.00