# 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 109.97 6.45 13.43 21.20 117.79 -152.01 -97.28 137.83 99.85 0.13 0.02 99.80 0.08 0.03 0.01 0.00 0.00 0.06 0.02 1 A C C 64.05 7.10 11.07 19.60 115.40 -118.30 -77.03 142.61 92.78 6.02 1.20 92.07 0.73 1.03 0.44 0.39 0.00 3.26 2.09 2 L C C 95.54 7.16 11.30 19.97 112.95 -112.98 -79.66 135.37 86.88 10.83 2.29 71.39 10.58 4.37 0.67 1.71 0.00 7.41 3.88 3 R C C 149.32 5.36 12.76 19.94 114.55 -153.14 -99.53 121.56 82.99 15.07 1.94 61.85 16.45 4.15 0.61 1.52 0.00 8.47 6.95 4 Y C C 93.84 9.83 11.35 22.44 123.52 45.87 -117.92 137.56 85.37 13.67 0.96 60.57 23.37 1.81 0.41 0.60 0.00 8.61 4.62 5 P C C 87.49 5.24 16.24 22.45 101.87 -114.29 -70.56 23.85 86.67 10.35 2.99 53.64 24.98 8.47 0.98 2.05 0.00 7.53 2.35 6 M C C 80.92 10.04 12.94 23.89 124.85 97.10 -116.73 144.58 74.70 19.46 5.84 51.79 15.04 7.15 2.62 3.43 0.06 11.13 8.77 7 A C C 47.14 9.99 12.84 24.08 114.47 -124.35 -86.84 132.68 73.46 21.06 5.49 57.30 9.60 5.35 2.55 3.23 0.02 14.19 7.76 8 V C C 82.61 7.38 13.34 22.10 119.03 -164.91 -113.53 137.65 69.36 22.91 7.73 35.26 20.91 14.72 3.12 4.57 0.18 13.20 8.05 9 G C C 40.42 5.46 14.08 20.66 119.76 19.74 100.15 -157.99 79.70 10.98 9.32 29.74 29.54 21.58 2.12 6.74 0.04 6.56 3.68 10 L C T 116.09 4.31 12.40 18.04 96.68 -42.29 -73.43 -19.85 79.73 4.65 15.62 15.52 24.91 39.99 2.84 12.07 0.05 2.60 2.02 11 N C T 100.45 4.53 11.04 17.10 102.53 57.81 -93.82 28.27 77.78 6.46 15.75 19.46 20.84 37.96 2.59 12.88 0.04 3.56 2.67 12 K C T 138.13 4.14 10.60 16.72 106.70 132.61 -69.22 103.59 79.26 7.07 13.67 15.41 17.89 45.99 2.63 11.00 0.04 4.14 2.89 13 G C T 56.07 2.72 12.97 16.65 98.72 12.40 82.84 -0.96 85.26 7.88 6.86 19.55 22.12 44.39 1.34 5.34 0.01 5.51 1.74 14 H C C 97.45 7.19 10.05 18.89 117.45 121.43 -89.46 140.34 78.55 17.38 4.07 55.52 17.77 5.00 1.68 2.63 0.01 11.56 5.83 15 K C C 139.82 3.14 14.49 18.92 112.02 -117.22 -78.00 134.61 68.44 29.12 2.44 57.76 6.52 2.26 1.43 1.21 0.01 16.66 14.15 16 V C C 77.45 10.12 9.74 20.51 115.81 -141.57 -94.90 132.14 80.51 17.55 1.93 68.26 9.36 2.00 1.19 0.92 0.00 11.41 6.86 17 T C C 60.71 7.05 11.32 19.98 124.06 -155.37 -105.56 154.16 85.72 12.01 2.26 74.34 8.36 2.30 1.37 1.02 0.00 7.06 5.55 18 K C S 164.11 1.55 12.81 15.16 95.66 -124.25 -70.70 -21.78 92.18 2.74 5.09 19.68 37.15 36.13 1.98 2.53 0.01 1.65 0.87 19 N C T 100.05 3.76 10.97 16.28 105.83 65.36 -92.58 83.60 93.09 2.65 4.26 32.12 26.19 35.39 1.41 2.47 0.00 1.52 0.90 20 V C C 85.12 7.91 8.78 17.61 102.53 163.72 -84.35 1.20 90.21 4.21 5.58 56.85 20.01 13.27 2.47 3.17 0.00 2.28 1.95 21 S C C 79.83 2.99 11.59 16.01 101.62 78.04 -85.18 -7.74 93.15 3.63 3.22 57.62 25.26 10.27 1.33 1.93 0.00 2.03 1.56 22 K C C 138.15 2.59 13.21 17.10 119.52 65.95 -96.46 141.63 95.94 2.42 1.64 56.56 38.28 1.32 1.19 0.50 0.00 1.19 0.95 23 P C C 77.09 7.94 10.48 19.98 114.44 -104.86 -65.58 146.70 94.36 2.80 2.84 87.04 5.37 1.96 1.50 1.13 0.00 1.40 1.60 24 R C C 113.88 7.47 10.83 19.81 115.76 -117.91 -80.09 144.96 90.72 3.57 5.71 80.59 7.04 2.68 3.00 2.49 0.00 1.40 2.80 25 H C C 128.85 3.65 13.25 18.24 99.33 -109.72 -68.92 -18.51 59.64 2.78 37.59 30.87 12.86 16.49 10.15 26.78 0.02 1.40 1.43 26 S C G 56.95 7.64 10.66 19.62 102.61 59.76 -77.08 2.27 53.32 1.50 45.19 21.49 11.67 20.46 11.18 33.64 0.01 0.76 0.79 27 R C G 140.49 5.29 12.63 19.25 99.08 67.96 -84.51 -1.84 51.40 1.82 46.78 23.21 11.46 17.22 12.72 33.55 0.02 0.90 0.92 28 R C C 122.45 7.13 11.10 19.67 108.05 92.13 -86.34 101.34 62.88 2.64 34.48 36.07 12.36 14.34 12.45 22.01 0.02 1.24 1.51 29 R C C 154.78 3.85 12.31 17.55 107.55 74.62 -89.10 68.35 75.29 2.81 21.90 34.55 18.04 23.16 10.18 11.10 0.02 1.31 1.64 30 S C C 65.23 5.65 11.87 18.96 115.66 60.18 -97.36 150.51 81.00 2.22 16.79 32.21 25.40 24.02 6.39 9.68 0.01 1.14 1.15 31 R C C 158.22 3.24 13.66 18.29 114.40 -104.57 -84.92 133.01 84.11 3.84 12.05 63.60 12.93 7.31 5.80 6.21 0.00 1.96 2.19 32 L C C 83.28 10.37 9.96 21.01 111.69 -115.73 -78.14 130.00 88.23 3.89 7.89 74.80 9.35 3.82 5.11 2.70 0.00 1.76 2.46 33 T C C 63.35 5.86 12.21 19.62 120.45 -137.79 -91.20 161.34 90.45 2.42 7.13 77.79 9.05 3.30 5.65 1.64 0.00 0.99 1.57 34 N C H 126.42 1.73 13.53 15.84 93.50 -104.01 -63.55 -29.22 51.91 0.56 47.53 9.14 14.42 28.63 38.19 8.93 0.09 0.23 0.38 35 H C H 116.36 4.42 13.15 18.57 96.05 55.82 -77.56 -20.55 52.98 0.63 46.39 9.54 11.38 32.13 38.12 8.06 0.08 0.28 0.40 36 T H H 42.65 10.58 11.48 23.00 97.93 59.65 -77.11 -28.88 40.93 1.07 58.00 24.87 6.18 11.22 50.31 6.39 0.01 0.48 0.54 37 K H H 113.23 5.20 14.77 21.24 92.96 66.72 -63.42 -40.11 7.81 0.14 92.05 3.82 1.34 2.71 90.79 1.22 0.01 0.07 0.05 38 F H H 125.13 2.20 17.48 19.33 92.56 50.75 -65.34 -40.88 3.90 0.09 96.01 1.47 0.55 1.91 94.85 1.13 0.01 0.06 0.02 39 V H H 52.42 8.97 16.43 26.38 92.63 48.72 -65.86 -41.64 1.78 0.04 98.17 0.62 0.25 0.93 97.23 0.93 0.00 0.03 0.01 40 R H H 71.36 13.33 15.62 29.12 92.12 51.27 -64.09 -41.31 1.47 0.02 98.51 0.36 0.20 0.90 97.82 0.70 0.00 0.01 0.00 41 D H H 71.58 4.29 19.21 23.98 92.05 50.78 -64.84 -40.22 3.13 0.03 96.84 0.50 0.28 2.31 96.13 0.75 0.01 0.02 0.01 42 M H H 82.53 4.85 19.32 24.69 92.28 50.64 -65.55 -41.37 6.04 0.05 93.91 0.64 0.68 4.87 92.86 0.87 0.04 0.02 0.02 43 I H H 31.39 14.56 15.29 30.62 92.56 50.10 -65.54 -42.18 6.62 0.10 93.27 1.00 1.06 4.82 92.16 0.83 0.05 0.04 0.04 44 R H H 97.51 11.05 16.23 27.56 92.31 52.14 -64.47 -40.02 5.62 0.09 94.29 1.12 0.74 3.88 92.57 1.58 0.03 0.05 0.03 45 E H H 124.50 2.75 18.50 21.52 93.77 47.52 -69.93 -36.42 6.90 0.09 93.01 0.78 0.72 5.68 90.73 1.93 0.07 0.05 0.04 46 V H H 75.58 7.18 17.25 24.98 100.40 37.73 -86.78 -38.02 14.51 0.11 85.38 0.73 1.46 12.83 83.06 1.63 0.17 0.04 0.06 47 C H H 44.16 12.20 15.11 27.76 101.98 25.48 -101.98 -13.24 32.79 0.30 66.91 2.27 6.47 24.46 64.94 1.39 0.17 0.08 0.22 48 G C S 36.25 6.38 18.44 25.81 100.27 -117.49 81.17 3.82 96.22 0.71 3.06 32.19 39.18 24.97 1.71 1.25 0.00 0.30 0.40 49 F C C 64.24 13.69 15.01 28.91 118.40 101.37 -103.59 135.07 92.70 2.50 4.80 60.91 24.69 6.66 3.24 1.51 0.00 0.84 2.16 50 A C C 28.61 11.03 17.06 29.38 116.56 -121.86 -76.56 155.47 79.47 0.38 20.15 63.68 11.20 2.68 21.27 0.81 0.00 0.11 0.25 51 P H H 64.01 8.22 19.12 28.29 93.24 -108.01 -59.74 -36.30 12.70 0.08 87.22 3.37 2.28 7.20 85.25 1.80 0.02 0.03 0.05 52 Y H H 78.12 13.12 19.28 32.19 92.88 52.13 -65.82 -38.66 7.31 0.06 92.63 1.53 0.97 4.86 90.60 1.96 0.02 0.02 0.03 53 E H H 53.07 15.11 18.53 33.22 92.92 50.15 -66.04 -40.32 2.90 0.02 97.07 0.90 0.36 1.55 95.76 1.41 0.00 0.01 0.01 54 R H H 108.06 7.60 21.86 29.80 92.07 51.08 -65.24 -41.68 1.09 0.01 98.90 0.28 0.11 0.56 98.47 0.57 0.00 0.00 0.00 55 R H H 96.77 8.34 22.52 31.03 92.18 49.75 -65.37 -40.70 1.21 0.01 98.78 0.21 0.09 0.77 98.31 0.62 0.00 0.00 0.00 56 A H H 10.15 18.65 17.80 36.76 92.24 50.98 -64.82 -41.70 1.39 0.00 98.60 0.18 0.08 0.93 98.20 0.60 0.00 0.00 0.00 57 M H H 56.21 11.31 20.80 32.56 91.67 51.85 -63.09 -41.37 0.82 0.00 99.18 0.10 0.06 0.54 98.62 0.68 0.00 0.00 0.00 58 E H H 84.77 4.43 22.89 27.27 91.52 51.10 -64.25 -41.08 1.15 0.00 98.85 0.10 0.06 0.86 97.76 1.21 0.00 0.00 0.00 59 L H H 34.20 12.82 17.77 31.57 91.69 51.30 -64.76 -40.39 1.50 0.00 98.50 0.10 0.08 1.17 96.36 2.28 0.00 0.00 0.00 60 L H H 33.34 16.10 14.69 30.99 91.64 52.82 -65.85 -35.86 4.68 0.01 95.31 0.38 0.32 3.79 91.67 3.81 0.01 0.00 0.00 61 K H H 136.32 3.02 18.89 22.53 92.71 52.77 -70.91 -32.02 19.02 0.04 80.94 0.85 1.07 17.12 78.18 2.71 0.03 0.02 0.03 62 V H H 88.31 4.20 16.41 21.15 100.05 37.66 -96.08 -21.17 37.48 0.25 62.27 3.16 6.22 28.11 60.14 2.00 0.10 0.08 0.19 63 S C C 35.22 13.84 9.74 23.44 118.27 69.25 -104.23 146.95 86.79 0.83 12.38 47.61 18.07 20.51 10.96 1.90 0.00 0.27 0.67 64 K C C 168.34 1.29 16.79 17.72 95.82 -142.48 -72.81 0.08 96.18 0.59 3.23 43.47 34.23 18.67 1.70 1.30 0.00 0.23 0.39 65 S C C 36.44 11.06 10.64 23.16 108.32 120.78 -83.99 112.51 95.73 0.75 3.51 79.43 13.25 2.90 2.69 0.86 0.00 0.24 0.63 66 K H H 139.08 3.52 15.61 21.02 94.12 -168.58 -66.40 -32.24 10.13 0.07 89.81 4.18 2.30 3.51 88.96 0.99 0.00 0.02 0.03 67 R H H 132.05 3.26 19.03 22.30 92.00 57.81 -65.01 -40.35 2.94 0.02 97.05 0.69 0.37 1.75 96.17 1.00 0.01 0.01 0.01 68 A H H 13.14 15.09 15.11 31.37 92.04 50.25 -64.16 -42.22 1.33 0.01 98.66 0.41 0.14 0.69 97.54 1.20 0.00 0.01 0.00 69 L H H 31.72 14.75 15.83 31.19 91.69 51.60 -63.19 -41.60 0.60 0.01 99.39 0.17 0.06 0.30 98.79 0.68 0.00 0.00 0.00 70 K H H 112.87 2.47 22.49 23.99 91.66 50.78 -64.17 -41.76 0.67 0.01 99.32 0.13 0.05 0.39 99.05 0.37 0.00 0.00 0.00 71 F H H 67.62 7.03 19.89 27.88 91.89 49.81 -64.57 -42.47 1.08 0.01 98.91 0.16 0.08 0.73 98.58 0.44 0.00 0.00 0.00 72 I H H 12.90 19.03 13.89 33.44 91.68 49.58 -64.21 -42.21 1.47 0.01 98.52 0.22 0.14 0.94 98.37 0.31 0.00 0.00 0.00 73 K H H 90.58 10.02 15.89 26.57 91.78 52.45 -63.94 -37.58 1.99 0.01 98.00 0.28 0.17 1.31 97.74 0.50 0.00 0.00 0.00 74 K H H 151.20 1.27 18.71 18.85 92.20 50.98 -67.72 -34.66 4.06 0.01 95.92 0.26 0.24 3.39 95.25 0.85 0.01 0.01 0.00 75 R H H 123.58 6.19 16.37 23.33 98.98 38.47 -85.44 -34.84 8.69 0.02 91.29 0.34 0.59 7.69 90.63 0.71 0.02 0.01 0.01 76 V H H 47.68 12.53 12.02 24.93 104.14 29.49 -104.28 -16.79 21.92 0.17 77.91 2.78 4.91 13.65 77.85 0.57 0.06 0.04 0.13 77 G C C 45.02 2.98 16.76 20.38 109.68 -126.35 80.48 -93.24 98.37 0.48 1.15 53.36 37.07 8.06 0.63 0.40 0.00 0.17 0.31 78 T C C 65.94 3.35 17.10 20.73 130.70 9.96 -128.11 163.64 95.97 1.50 2.53 49.32 44.46 2.02 2.15 0.41 0.00 0.32 1.31 79 H H H 110.31 8.18 12.84 22.25 92.64 -109.18 -61.32 -36.62 9.93 0.08 90.00 2.40 4.79 3.19 89.03 0.53 0.01 0.01 0.04 80 I H H 113.48 1.55 18.30 18.68 91.94 52.58 -63.83 -42.29 2.53 0.01 97.46 0.34 0.33 1.58 97.32 0.42 0.00 0.00 0.00 81 R H H 98.11 5.10 17.75 23.81 92.11 47.58 -65.89 -39.77 1.01 0.00 98.99 0.21 0.10 0.59 98.64 0.46 0.00 0.00 0.00 82 A H H 8.90 16.09 12.24 29.60 91.18 52.33 -62.75 -42.58 0.42 0.00 99.58 0.09 0.03 0.21 99.47 0.20 0.00 0.00 0.00 83 K H H 106.28 4.07 20.29 24.62 91.58 50.59 -64.05 -41.18 0.32 0.00 99.68 0.05 0.02 0.17 99.68 0.08 0.00 0.00 0.00 84 R H H 129.71 2.02 21.35 21.96 91.65 49.77 -64.50 -41.70 0.23 0.00 99.77 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 85 K H H 63.63 11.88 17.43 29.84 92.36 49.66 -65.49 -40.62 0.20 0.00 99.80 0.02 0.01 0.11 99.82 0.03 0.00 0.00 0.00 86 R H H 88.83 12.31 17.48 29.84 91.78 52.07 -63.50 -41.24 0.15 0.00 99.85 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 87 E H H 110.34 1.94 22.05 22.32 91.62 49.85 -63.89 -41.71 0.16 0.00 99.84 0.01 0.01 0.09 99.86 0.02 0.00 0.00 0.00 88 E H H 90.68 4.53 20.81 25.62 91.70 49.23 -64.98 -41.46 0.26 0.00 99.74 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 89 L H H 29.44 15.06 15.98 31.82 91.85 49.77 -64.35 -40.96 0.49 0.00 99.51 0.05 0.02 0.32 99.51 0.10 0.00 0.00 0.00 90 S H H 51.55 5.60 19.91 26.22 91.59 51.89 -63.55 -40.30 0.93 0.00 99.07 0.09 0.04 0.64 99.11 0.11 0.00 0.00 0.00 91 N H H 94.63 2.31 21.62 22.80 92.17 49.86 -65.89 -40.11 0.90 0.00 99.10 0.12 0.06 0.58 99.17 0.08 0.00 0.00 0.00 92 V H H 47.00 9.51 18.30 28.92 92.14 50.17 -64.65 -42.81 0.22 0.00 99.78 0.04 0.02 0.12 99.79 0.04 0.00 0.00 0.00 93 L H H 57.60 8.92 18.29 28.27 91.79 49.54 -64.04 -41.63 0.11 0.00 99.89 0.02 0.00 0.06 99.89 0.03 0.00 0.00 0.00 94 A H H 53.05 2.98 19.91 22.59 91.38 50.52 -63.49 -41.84 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 95 A H H 46.92 4.47 18.12 23.52 91.91 50.26 -64.38 -41.53 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 96 M H H 76.93 8.10 16.83 25.96 92.08 50.23 -64.84 -40.96 0.13 0.00 99.87 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 97 E H H 104.87 3.25 17.79 21.44 91.74 50.41 -64.27 -41.00 0.22 0.00 99.78 0.02 0.01 0.13 99.80 0.03 0.00 0.00 0.00 98 E H H 109.96 1.87 17.86 18.85 91.98 49.49 -64.93 -41.26 0.43 0.00 99.57 0.05 0.02 0.26 99.60 0.07 0.00 0.00 0.00 99 A H H 40.88 4.47 14.15 20.45 91.65 50.49 -64.25 -41.07 1.00 0.00 99.00 0.12 0.06 0.63 99.00 0.18 0.00 0.00 0.00 100 A H H 48.31 4.19 12.96 18.86 91.98 51.08 -64.26 -39.36 3.43 0.00 96.56 0.38 0.24 2.38 96.54 0.44 0.00 0.00 0.00 101 A H H 71.30 1.79 12.36 14.54 92.54 52.07 -66.96 -35.61 13.21 0.04 86.75 1.75 1.18 9.54 86.48 1.01 0.01 0.01 0.02 102 K H H 151.40 1.17 10.99 12.41 94.34 53.11 -71.90 -26.90 34.74 0.30 64.95 7.93 4.79 22.18 63.31 1.47 0.03 0.10 0.18 103 K C H 144.10 2.28 8.81 12.50 99.33 58.90 -81.62 -7.09 61.89 0.38 37.73 31.92 2.05 25.32 39.00 1.33 0.00 0.13 0.24 104 D C C 115.33 2.05 11.31 14.54 103.94 73.21 -77.26 62.93 99.92 0.02 0.06 99.70 0.10 0.14 0.03 0.00 0.00 0.01 0.00