# 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 67.90 5.91 13.48 20.82 111.90 -122.28 -76.81 143.02 99.96 0.02 0.01 99.92 0.04 0.02 0.01 0.00 0.00 0.01 0.00 1 R C C 154.53 4.33 11.32 17.41 113.53 -145.61 -91.62 130.96 89.32 4.51 6.16 85.29 2.01 2.42 4.75 1.03 0.00 2.07 2.43 2 A C C 62.11 7.70 8.75 17.68 113.98 -139.66 -90.45 130.74 84.22 4.32 11.46 69.81 8.73 5.18 9.51 2.52 0.00 2.61 1.64 3 K C C 136.87 3.64 12.28 17.53 109.35 -151.43 -92.65 98.14 79.41 3.24 17.34 55.30 13.62 9.46 15.58 3.01 0.00 1.88 1.15 4 N C C 100.66 4.77 12.68 18.76 108.92 -100.10 -89.66 107.67 77.90 1.41 20.69 49.76 15.64 11.02 19.59 2.70 0.00 0.63 0.66 5 G C H 34.23 8.16 11.54 20.69 103.61 36.25 -49.71 -43.10 49.85 0.53 49.62 28.56 13.50 7.33 48.20 1.98 0.00 0.18 0.25 6 T H H 89.33 2.78 14.69 17.96 94.93 16.35 -67.10 -37.22 17.39 0.27 82.34 8.72 3.85 5.65 79.59 1.96 0.01 0.12 0.11 7 V H H 81.84 3.74 16.17 20.47 93.50 51.19 -66.83 -40.18 10.35 0.25 89.40 5.56 1.90 3.59 86.99 1.74 0.01 0.13 0.08 8 H H H 62.78 10.58 14.46 25.99 93.08 51.12 -66.11 -40.84 6.30 0.13 93.56 3.67 1.03 2.04 91.90 1.26 0.00 0.07 0.04 9 V H H 58.50 7.62 16.31 25.17 92.39 51.06 -64.73 -41.40 4.10 0.06 95.85 2.08 0.59 1.43 95.23 0.63 0.00 0.03 0.02 10 A H H 54.82 2.82 19.63 22.03 91.95 50.44 -64.33 -41.26 2.41 0.02 97.57 1.01 0.28 0.96 97.37 0.37 0.00 0.01 0.00 11 R H H 93.51 7.68 18.45 27.01 92.17 49.70 -65.19 -41.24 1.72 0.01 98.28 0.58 0.17 0.80 98.15 0.28 0.00 0.00 0.00 12 R H H 63.90 15.22 16.13 31.13 92.10 51.17 -63.79 -41.43 1.06 0.00 98.93 0.31 0.10 0.51 98.90 0.19 0.00 0.00 0.00 13 K H H 106.96 4.75 20.45 25.58 91.78 50.96 -64.10 -40.75 0.84 0.00 99.16 0.21 0.07 0.41 99.14 0.16 0.00 0.00 0.00 14 R H H 122.90 2.79 21.69 23.70 91.90 50.01 -64.69 -41.43 1.04 0.00 98.95 0.23 0.08 0.57 98.92 0.18 0.00 0.00 0.00 15 I H H 23.71 14.86 16.65 32.38 92.10 49.55 -64.50 -42.66 0.85 0.00 99.15 0.15 0.07 0.52 98.94 0.31 0.00 0.00 0.00 16 L H H 42.73 14.14 16.12 30.66 91.79 51.07 -63.70 -39.76 1.11 0.00 98.89 0.14 0.08 0.77 98.00 1.01 0.00 0.00 0.00 17 K H H 135.28 1.92 21.15 22.18 91.87 51.90 -65.08 -38.17 5.20 0.01 94.80 0.26 0.23 4.59 92.47 2.44 0.01 0.00 0.00 18 K H H 108.74 5.50 18.35 24.56 92.50 51.58 -70.60 -28.48 15.50 0.02 84.48 0.52 0.85 14.13 81.60 2.85 0.03 0.01 0.02 19 T C H 18.44 18.75 10.65 29.06 96.90 52.17 -92.01 -2.16 50.29 0.17 49.54 7.66 5.81 36.48 43.21 6.59 0.02 0.06 0.18 20 K C T 136.99 4.64 15.43 22.30 105.18 129.69 -62.51 109.52 72.66 0.24 27.10 3.60 3.38 65.82 7.68 19.19 0.00 0.11 0.22 21 G C T 59.18 1.70 17.17 18.65 95.81 23.26 78.16 -1.74 75.88 0.13 23.99 3.12 4.71 67.27 4.14 20.59 0.00 0.06 0.11 22 F C C 77.08 13.57 10.93 24.44 108.34 92.96 -90.75 87.45 78.61 1.17 20.22 47.88 13.91 15.42 3.09 18.40 0.00 0.52 0.79 23 W C C 149.41 6.45 13.76 21.66 116.93 97.01 -101.17 132.30 88.67 3.91 7.42 57.71 15.14 15.75 2.56 4.54 0.00 1.49 2.80 24 G C C 42.86 5.53 14.06 20.93 118.77 35.48 100.38 -166.91 91.35 2.03 6.62 44.04 27.05 20.33 1.60 4.92 0.00 0.90 1.15 25 T C C 84.33 4.46 12.96 18.76 114.67 -66.28 -92.20 135.95 88.71 2.14 9.16 57.72 19.12 11.54 3.06 6.17 0.00 0.89 1.50 26 K C C 132.36 5.49 10.80 17.93 99.43 -142.75 -73.83 -17.50 73.82 1.50 24.67 38.62 17.56 17.94 8.11 16.05 0.00 0.61 1.11 27 K C T 151.43 2.00 12.80 15.52 98.98 71.87 -77.70 -16.44 69.63 0.55 29.82 15.44 17.51 36.90 9.96 19.46 0.01 0.23 0.48 28 S C T 77.28 3.49 12.57 17.22 101.33 44.32 -91.93 3.03 68.96 0.87 30.16 20.90 17.98 30.94 11.50 17.59 0.02 0.36 0.71 29 N C C 68.70 6.78 11.92 20.39 108.77 92.94 -101.15 98.69 73.82 1.98 24.20 56.66 12.55 4.31 20.86 3.56 0.00 0.64 1.41 30 Y H H 118.03 8.62 12.71 22.41 95.17 -165.71 -66.04 -36.81 8.75 0.06 91.18 4.23 1.90 2.88 89.97 0.96 0.00 0.02 0.04 31 K H H 138.83 1.67 18.01 19.11 92.11 53.25 -64.84 -40.79 3.55 0.02 96.43 1.11 0.50 1.82 95.78 0.77 0.00 0.01 0.01 32 K H H 96.76 4.09 18.52 23.13 92.16 48.89 -65.93 -40.83 1.66 0.01 98.33 0.57 0.18 0.81 97.79 0.63 0.00 0.00 0.00 33 A H H 13.46 15.33 13.60 30.10 92.02 51.44 -63.73 -42.29 0.80 0.00 99.19 0.27 0.08 0.37 99.01 0.26 0.00 0.00 0.00 34 K H H 91.86 7.09 19.93 27.58 91.94 50.67 -64.18 -41.20 0.65 0.00 99.34 0.20 0.06 0.31 99.31 0.11 0.00 0.00 0.00 35 D H H 76.84 2.58 22.14 23.65 91.84 49.83 -64.67 -41.45 0.47 0.00 99.53 0.12 0.04 0.24 99.52 0.08 0.00 0.00 0.00 36 T H H 39.75 9.14 18.58 29.02 92.21 49.84 -64.69 -41.62 0.36 0.00 99.64 0.08 0.02 0.20 99.63 0.07 0.00 0.00 0.00 37 L H H 42.92 13.55 17.05 31.08 92.24 50.23 -64.60 -41.59 0.38 0.00 99.62 0.08 0.02 0.22 99.61 0.07 0.00 0.00 0.00 38 R H H 129.57 3.58 21.28 24.90 91.96 49.77 -64.39 -41.35 0.53 0.00 99.47 0.08 0.03 0.32 99.49 0.07 0.00 0.00 0.00 39 K H H 112.41 2.84 21.02 23.40 92.02 49.14 -65.03 -41.33 0.69 0.00 99.31 0.10 0.04 0.42 99.35 0.08 0.00 0.00 0.00 40 G H H 17.54 11.09 16.06 28.53 92.11 50.96 -64.29 -41.12 0.77 0.00 99.23 0.11 0.05 0.45 99.26 0.13 0.00 0.00 0.00 41 M H H 82.56 7.76 18.59 26.79 92.50 50.54 -65.04 -40.26 0.91 0.00 99.09 0.15 0.06 0.55 98.96 0.27 0.00 0.00 0.00 42 M H H 101.87 2.55 20.29 22.09 92.22 50.14 -65.14 -41.34 1.25 0.00 98.75 0.19 0.09 0.80 98.52 0.40 0.00 0.00 0.00 43 Y H H 101.81 5.08 18.59 24.39 92.26 49.16 -65.91 -40.64 2.55 0.01 97.44 0.47 0.25 1.65 96.85 0.77 0.00 0.00 0.00 44 A H H 29.85 11.00 14.57 26.76 92.48 52.07 -64.73 -40.34 5.85 0.02 94.14 0.91 0.55 4.12 93.26 1.13 0.01 0.01 0.01 45 T H H 71.08 4.41 17.75 22.63 92.85 49.78 -67.41 -38.90 12.56 0.06 87.39 2.14 1.43 8.89 85.78 1.69 0.02 0.02 0.04 46 R H H 138.07 2.23 18.41 20.10 93.24 50.11 -67.84 -38.99 20.60 0.10 79.30 3.35 3.13 14.05 77.70 1.63 0.03 0.03 0.07 47 D H H 59.97 6.57 15.60 23.41 97.23 48.17 -72.29 -29.58 31.47 0.10 68.43 10.39 2.73 17.40 67.82 1.55 0.00 0.04 0.07 48 R H H 95.40 9.27 14.55 24.65 92.69 67.14 -63.60 -40.15 8.09 0.04 91.87 3.18 1.17 3.44 90.72 1.45 0.00 0.01 0.02 49 K H H 119.88 2.54 17.85 20.44 92.35 51.28 -64.86 -41.26 5.30 0.03 94.67 1.88 0.66 2.51 93.62 1.30 0.00 0.01 0.01 50 V H H 78.08 2.66 18.11 20.55 92.14 49.23 -65.35 -41.57 4.55 0.03 95.42 1.74 0.57 2.06 94.55 1.05 0.00 0.01 0.01 51 R H H 99.97 6.92 16.39 24.24 92.39 49.85 -65.01 -41.17 2.78 0.01 97.20 1.08 0.32 1.13 97.02 0.43 0.00 0.00 0.01 52 K H H 88.11 7.98 16.53 25.31 91.99 50.51 -64.01 -41.07 1.44 0.00 98.56 0.43 0.14 0.66 98.52 0.25 0.00 0.00 0.00 53 R H H 125.79 2.70 18.85 21.40 92.08 50.17 -64.71 -41.38 1.03 0.00 98.97 0.23 0.09 0.54 98.93 0.21 0.00 0.00 0.00 54 D H H 72.80 3.56 19.12 22.69 92.05 49.06 -65.26 -41.37 0.96 0.00 99.03 0.20 0.07 0.52 99.04 0.16 0.00 0.00 0.00 55 F H H 65.21 10.25 16.99 28.15 92.41 49.85 -64.67 -41.76 0.59 0.00 99.41 0.10 0.04 0.32 99.44 0.09 0.00 0.00 0.00 56 R H H 93.99 10.77 17.82 28.86 91.89 51.68 -63.45 -41.41 0.33 0.00 99.67 0.05 0.02 0.18 99.70 0.05 0.00 0.00 0.00 57 R H H 137.27 2.82 20.91 23.57 91.94 50.06 -64.76 -41.38 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 58 L H H 71.66 5.88 20.97 27.17 92.05 49.39 -64.84 -41.60 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 59 W H H 40.05 16.99 18.32 35.26 91.89 49.84 -64.30 -42.45 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 60 I H H 51.74 12.84 20.30 33.27 91.65 50.12 -63.88 -41.93 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 61 S H H 58.66 3.35 24.49 27.03 91.79 50.28 -64.51 -41.68 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 62 R H H 82.02 10.79 23.06 33.73 92.03 48.81 -65.27 -41.48 0.11 0.00 99.89 0.01 0.00 0.08 99.90 0.02 0.00 0.00 0.00 63 I H H 8.24 23.12 18.83 41.82 91.79 49.35 -64.23 -43.15 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 64 S H H 43.16 9.81 23.12 33.17 91.41 51.13 -62.97 -42.01 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 65 A H H 47.45 3.48 24.84 27.85 91.34 50.32 -63.61 -41.86 0.17 0.00 99.83 0.01 0.00 0.12 99.82 0.05 0.00 0.00 0.00 66 A H H 13.34 13.44 19.32 34.12 91.46 50.48 -64.42 -42.28 0.44 0.00 99.56 0.01 0.01 0.33 99.54 0.10 0.00 0.00 0.00 67 L H H 12.20 18.25 14.43 33.40 91.82 50.47 -64.13 -41.01 1.18 0.00 98.81 0.10 0.07 0.83 98.73 0.27 0.00 0.00 0.00 68 S H H 74.85 3.21 18.37 22.38 91.80 52.12 -63.65 -40.70 2.69 0.00 97.30 0.21 0.11 2.15 95.24 2.27 0.00 0.00 0.00 69 D H H 111.73 1.88 17.30 19.36 91.33 52.70 -66.77 -28.25 11.75 0.01 88.23 0.26 0.37 11.52 85.14 2.68 0.02 0.00 0.01 70 T C T 60.06 9.82 13.21 24.16 95.67 44.20 -96.02 2.69 61.04 0.02 38.95 0.42 1.38 60.84 34.88 2.45 0.00 0.00 0.02 71 G C T 61.39 1.05 19.40 18.89 95.01 -110.17 77.31 17.07 99.93 0.00 0.07 1.49 1.55 96.93 0.02 0.01 0.00 0.00 0.00 72 V C C 29.53 16.49 10.18 26.74 123.30 128.72 -109.44 142.22 99.57 0.41 0.02 96.92 2.64 0.04 0.01 0.00 0.00 0.11 0.28 73 T C C 68.99 3.16 23.21 25.26 121.14 -130.29 -85.00 157.99 99.59 0.37 0.05 99.45 0.19 0.02 0.02 0.00 0.00 0.08 0.22 74 Y H H 68.27 18.51 13.26 31.09 91.96 -115.27 -58.54 -38.55 1.83 0.00 98.16 0.37 0.24 0.96 98.03 0.40 0.00 0.00 0.00 75 S H H 69.34 3.09 20.76 23.94 91.37 56.31 -62.93 -39.43 0.58 0.00 99.42 0.05 0.04 0.39 99.01 0.50 0.00 0.00 0.00 76 R H H 113.18 5.65 21.41 27.45 91.95 50.06 -65.61 -40.58 0.14 0.00 99.86 0.01 0.01 0.09 99.49 0.40 0.00 0.00 0.00 77 F H H 7.90 23.75 15.76 39.43 91.93 50.05 -64.07 -43.62 0.12 0.00 99.88 0.01 0.00 0.08 99.76 0.15 0.00 0.00 0.00 78 I H H 45.35 14.09 20.24 34.25 91.81 49.13 -63.89 -42.35 0.16 0.00 99.84 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 79 E H H 101.60 2.40 24.31 25.21 91.63 50.46 -63.71 -41.59 0.20 0.00 99.80 0.01 0.01 0.14 99.80 0.05 0.00 0.00 0.00 80 G H H 9.35 12.65 18.58 32.78 91.88 51.25 -63.71 -42.36 0.34 0.00 99.66 0.02 0.01 0.24 99.60 0.12 0.00 0.00 0.00 81 L H H 9.46 21.60 14.48 36.17 92.14 50.22 -64.40 -41.81 0.50 0.00 99.50 0.04 0.02 0.35 99.24 0.35 0.00 0.00 0.00 82 L H H 99.38 5.05 18.70 24.85 91.85 50.43 -64.08 -40.41 1.18 0.00 98.82 0.06 0.05 0.93 98.38 0.57 0.00 0.00 0.00 83 K H H 141.75 2.05 18.58 20.72 90.88 53.36 -65.63 -29.68 8.45 0.00 91.55 0.19 0.28 8.05 90.83 0.64 0.01 0.00 0.00 84 S C T 31.35 13.31 13.06 27.24 94.79 49.79 -89.78 2.92 85.69 0.03 14.29 0.53 1.73 82.82 14.24 0.65 0.00 0.01 0.03 85 N C T 130.97 1.41 19.89 20.59 93.85 -118.13 60.92 35.88 99.63 0.01 0.36 2.21 1.36 96.18 0.16 0.07 0.00 0.01 0.00 86 I C C 24.48 20.43 9.86 29.57 113.87 152.05 -94.69 124.89 96.29 3.39 0.32 94.80 1.48 0.47 0.11 0.13 0.00 2.40 0.61 87 K C C 147.32 2.14 22.95 24.76 111.09 -148.34 -94.85 114.73 89.63 10.17 0.20 86.61 2.88 0.59 0.08 0.10 0.00 8.55 1.19 88 I C C 24.33 22.24 10.42 31.58 125.48 165.66 -117.84 140.95 85.23 14.65 0.12 78.59 7.90 0.15 0.08 0.05 0.00 9.19 4.04 89 N C C 81.22 4.02 22.65 26.01 117.65 -121.29 -80.24 152.85 98.67 1.22 0.12 98.42 0.57 0.06 0.08 0.01 0.00 0.64 0.22 90 R H H 106.87 14.44 14.32 28.42 91.91 -113.35 -59.79 -37.44 1.28 0.00 98.72 0.16 0.14 0.75 98.74 0.21 0.00 0.00 0.00 91 K H H 125.85 3.90 20.42 24.86 91.86 53.78 -63.94 -40.68 0.58 0.00 99.42 0.04 0.03 0.43 99.24 0.26 0.00 0.00 0.00 92 I H H 52.36 9.97 20.65 31.32 92.19 48.79 -65.71 -41.90 0.32 0.00 99.68 0.02 0.01 0.22 99.44 0.29 0.00 0.00 0.00 93 L H H 7.68 22.91 17.52 40.37 91.48 50.04 -63.41 -43.03 0.13 0.00 99.87 0.01 0.01 0.07 99.85 0.06 0.00 0.00 0.00 94 S H H 20.18 14.29 20.49 35.38 91.62 51.23 -62.81 -41.98 0.26 0.00 99.73 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 95 N H H 74.80 4.63 25.38 30.04 91.69 50.22 -64.75 -41.25 0.61 0.00 99.39 0.02 0.02 0.46 99.43 0.06 0.00 0.00 0.00 96 L H H 19.38 15.14 20.24 36.18 91.88 50.65 -64.52 -41.95 0.40 0.00 99.60 0.02 0.02 0.27 99.57 0.11 0.00 0.00 0.00 97 A H H 8.37 20.91 16.33 37.31 91.75 52.03 -64.87 -37.53 0.85 0.00 99.15 0.07 0.05 0.61 98.90 0.37 0.00 0.00 0.00 98 I H H 84.59 8.56 20.15 28.94 94.90 46.42 -74.17 -36.47 3.77 0.00 96.23 0.07 0.11 3.63 95.74 0.46 0.00 0.00 0.00 99 E H H 118.53 3.40 19.60 23.29 100.00 33.35 -93.30 -28.53 8.00 0.01 91.99 0.14 0.66 7.14 91.76 0.28 0.01 0.00 0.01 100 D C C 55.79 9.63 15.83 26.53 114.72 17.41 -137.42 88.15 99.66 0.07 0.26 94.57 4.80 0.26 0.27 0.02 0.00 0.02 0.07 101 V H H 61.80 13.94 14.31 28.60 93.70 174.71 -62.34 -35.76 1.43 0.00 98.57 0.11 0.08 1.07 98.05 0.69 0.00 0.00 0.00 102 E H H 120.73 2.31 23.14 24.74 91.67 54.75 -64.04 -39.70 0.55 0.00 99.45 0.02 0.02 0.47 98.94 0.55 0.00 0.00 0.00 103 A H H 14.34 12.29 18.64 32.68 91.41 51.36 -63.96 -41.85 0.14 0.00 99.86 0.01 0.00 0.10 99.48 0.41 0.00 0.00 0.00 104 F H H 7.28 24.25 15.87 40.22 91.65 50.84 -63.64 -42.48 0.11 0.00 99.89 0.01 0.00 0.07 99.80 0.12 0.00 0.00 0.00 105 K H H 98.45 7.95 23.06 31.30 91.28 51.74 -63.09 -41.33 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.04 0.00 0.00 0.00 106 K H H 105.14 3.40 24.57 27.37 91.51 50.62 -64.41 -41.93 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 107 I H H 10.50 19.22 19.11 38.72 91.80 49.36 -64.35 -43.34 0.11 0.00 99.89 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 108 V H H 14.22 18.63 17.79 36.76 91.92 49.48 -63.52 -42.43 0.15 0.00 99.85 0.02 0.01 0.10 99.81 0.07 0.00 0.00 0.00 109 L H H 85.26 3.12 21.38 24.03 91.43 51.11 -63.87 -40.99 0.61 0.00 99.39 0.05 0.03 0.44 99.20 0.27 0.00 0.00 0.00 110 E H H 88.34 5.84 18.53 25.23 92.14 50.39 -66.20 -38.51 2.97 0.00 97.02 0.16 0.14 2.44 96.73 0.53 0.00 0.00 0.00 111 I H H 29.12 17.75 12.18 29.60 93.64 50.87 -71.24 -31.47 15.18 0.02 84.80 1.30 1.06 11.81 85.00 0.81 0.01 0.01 0.01 112 R C H 135.22 6.82 13.67 21.71 94.94 59.23 -72.51 -20.25 57.51 0.29 42.20 24.85 1.40 28.19 44.09 1.19 0.00 0.09 0.21 113 R C C 167.95 2.53 15.16 18.74 101.83 77.46 -74.66 54.45 99.93 0.01 0.06 99.69 0.09 0.16 0.05 0.00 0.00 0.00 0.00