# 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 104.76 8.24 12.34 21.59 115.69 -130.08 -89.19 133.22 99.98 0.02 0.00 99.94 0.04 0.01 0.00 0.00 0.00 0.01 0.00 1 A C C 68.93 5.55 11.73 18.90 112.92 -117.97 -73.71 145.07 96.73 1.69 1.58 95.77 0.39 1.42 0.63 0.38 0.00 0.99 0.43 2 R C C 162.17 3.51 11.95 17.27 113.97 -134.48 -92.37 130.33 88.80 8.49 2.71 77.95 7.67 3.13 1.31 1.29 0.00 5.14 3.51 3 V C C 67.19 11.45 9.22 21.06 116.37 -145.08 -97.08 130.87 88.85 8.11 3.04 79.79 6.79 2.37 1.70 1.22 0.00 5.44 2.69 4 K C C 146.61 2.72 14.64 18.50 112.59 -153.07 -93.98 129.66 87.94 6.29 5.77 62.83 13.39 11.84 3.76 1.99 0.00 4.51 1.67 5 G C C 43.54 6.71 12.95 20.58 111.82 24.68 91.25 -3.14 88.97 1.91 9.12 44.45 25.26 19.44 6.56 2.54 0.00 0.97 0.79 6 G C C 33.72 6.77 12.88 20.92 120.82 106.72 85.08 -169.34 68.53 1.00 30.47 37.44 21.74 8.65 28.75 2.55 0.01 0.36 0.50 7 T H H 94.49 2.58 15.18 18.09 94.80 -55.46 -66.66 -34.29 21.11 0.50 78.39 9.42 6.09 7.44 74.22 2.37 0.04 0.21 0.21 8 V H H 72.30 5.04 15.89 21.90 93.47 51.33 -66.95 -40.08 13.39 0.50 86.11 6.65 2.85 5.05 82.81 2.18 0.03 0.28 0.15 9 T H H 33.16 11.72 13.38 26.30 92.81 50.91 -65.91 -41.27 9.09 0.32 90.60 5.56 1.56 2.81 88.10 1.70 0.01 0.18 0.09 10 R H H 116.20 5.78 17.03 23.86 92.33 51.46 -64.62 -41.02 4.37 0.08 95.56 2.21 0.68 1.58 94.64 0.83 0.00 0.04 0.02 11 K H H 117.04 2.20 19.51 20.90 92.15 50.15 -65.21 -41.13 2.67 0.03 97.30 1.09 0.35 1.15 96.88 0.51 0.00 0.01 0.01 12 R H H 93.31 8.43 17.71 26.90 92.13 49.41 -65.49 -40.93 1.96 0.01 98.03 0.70 0.23 0.91 97.77 0.38 0.00 0.01 0.00 13 R H H 72.35 14.55 15.87 30.20 92.00 51.55 -63.23 -41.27 1.30 0.01 98.69 0.40 0.14 0.62 98.58 0.25 0.00 0.00 0.00 14 K H H 112.30 3.64 20.59 24.35 91.92 50.61 -64.43 -40.44 1.16 0.01 98.84 0.32 0.12 0.58 98.76 0.21 0.00 0.00 0.00 15 K H H 106.37 3.22 21.11 23.83 91.81 50.01 -64.79 -41.18 1.52 0.01 98.48 0.39 0.15 0.82 98.40 0.23 0.00 0.00 0.00 16 V H H 23.87 14.96 16.42 32.10 92.18 49.59 -64.61 -42.65 1.13 0.01 98.86 0.25 0.13 0.67 98.62 0.32 0.00 0.00 0.00 17 L H H 49.87 12.67 16.91 30.11 91.90 50.79 -63.81 -40.23 1.10 0.01 98.89 0.21 0.11 0.70 98.06 0.91 0.00 0.00 0.00 18 K H H 132.04 1.87 21.69 22.44 91.99 51.33 -64.70 -39.55 3.42 0.01 96.57 0.29 0.21 2.76 94.64 2.08 0.01 0.01 0.00 19 L H H 79.51 6.43 18.15 25.34 92.35 50.22 -68.58 -34.03 8.86 0.01 91.13 0.37 0.51 7.80 88.89 2.40 0.02 0.00 0.01 20 A H H 15.64 18.48 11.24 29.47 94.29 53.78 -79.49 -12.49 32.72 0.12 67.16 4.18 3.60 24.77 60.95 6.31 0.04 0.05 0.11 21 K C T 135.73 4.84 15.69 22.65 102.25 107.67 -64.18 90.05 61.13 0.18 38.69 3.06 3.15 54.33 18.26 20.92 0.01 0.08 0.19 22 G C T 60.39 1.37 16.81 17.64 96.81 35.08 61.06 -2.09 68.41 0.19 31.40 4.16 4.88 58.86 9.46 22.37 0.00 0.09 0.17 23 Y C C 99.43 11.40 10.90 22.73 108.94 94.19 -90.89 96.31 76.28 1.61 22.11 48.13 12.79 14.83 5.30 17.23 0.00 0.78 0.94 24 Y C C 142.94 5.57 12.97 20.14 117.83 120.57 -105.05 136.73 88.92 4.95 6.14 62.94 12.52 13.29 2.69 3.17 0.00 2.22 3.17 25 G C C 42.36 5.38 13.11 20.03 123.80 117.04 122.22 -171.86 93.21 3.04 3.75 48.19 28.85 16.43 1.08 2.56 0.00 1.55 1.33 26 S C C 66.77 4.01 13.14 18.39 117.96 -84.63 -92.63 148.34 93.59 2.74 3.67 69.85 17.47 6.13 1.59 2.02 0.00 1.24 1.69 27 K C T 141.60 4.14 11.35 17.37 95.94 -124.86 -68.26 -25.20 59.90 1.05 39.05 19.05 19.41 22.44 22.32 15.54 0.05 0.42 0.77 28 H C T 147.10 1.75 13.06 15.29 96.70 61.56 -77.71 -19.37 54.77 0.50 44.72 8.88 12.84 32.59 27.38 17.61 0.06 0.23 0.41 29 T C H 75.44 4.77 13.14 19.20 102.02 47.56 -92.20 -4.83 51.29 1.31 47.41 18.35 9.76 23.67 30.19 16.57 0.07 0.61 0.78 30 L H H 63.56 8.75 12.89 23.08 98.15 82.02 -72.03 -35.79 35.75 1.35 62.90 25.02 7.24 5.09 58.40 3.13 0.02 0.56 0.55 31 F H H 93.33 9.43 15.00 25.08 93.40 54.74 -64.76 -41.65 6.69 0.12 93.18 3.41 1.27 2.23 91.98 1.02 0.00 0.05 0.04 32 K H H 125.50 2.25 19.56 21.29 92.61 49.72 -65.25 -40.90 3.20 0.04 96.76 1.25 0.42 1.44 96.01 0.85 0.00 0.02 0.01 33 S H H 43.28 5.02 18.75 24.76 92.43 49.44 -65.42 -41.17 2.32 0.02 97.66 0.87 0.28 1.07 97.11 0.65 0.00 0.01 0.01 34 A H H 15.00 14.23 14.85 30.48 91.88 51.30 -63.87 -42.11 1.24 0.00 98.76 0.45 0.13 0.53 98.63 0.25 0.00 0.00 0.00 35 K H H 93.66 7.87 19.66 28.02 91.72 50.77 -63.80 -40.92 0.66 0.00 99.34 0.19 0.06 0.31 99.34 0.11 0.00 0.00 0.00 36 E H H 105.98 2.55 21.85 23.42 92.05 49.91 -64.90 -41.40 0.32 0.00 99.68 0.06 0.02 0.17 99.68 0.07 0.00 0.00 0.00 37 Q H H 77.75 7.08 19.76 27.47 92.21 49.15 -65.73 -40.82 0.35 0.00 99.65 0.05 0.02 0.20 99.64 0.08 0.00 0.00 0.00 38 V H H 34.68 13.39 16.76 30.85 92.12 49.55 -64.48 -42.34 0.54 0.00 99.46 0.08 0.03 0.33 99.47 0.09 0.00 0.00 0.00 39 M H H 84.59 5.62 20.02 26.00 91.85 49.84 -64.04 -41.56 0.96 0.00 99.04 0.13 0.06 0.61 99.09 0.11 0.00 0.00 0.00 40 N H H 84.01 2.85 20.61 22.90 92.01 49.69 -64.75 -41.29 1.59 0.00 98.41 0.18 0.10 1.04 98.54 0.13 0.00 0.00 0.00 41 S H H 35.62 8.51 17.26 26.97 92.24 50.59 -64.85 -40.96 1.22 0.00 98.78 0.13 0.08 0.79 98.84 0.15 0.00 0.00 0.00 42 Y H H 94.88 9.07 17.73 27.16 92.34 50.24 -65.02 -40.84 0.74 0.00 99.26 0.10 0.04 0.46 99.24 0.16 0.00 0.00 0.00 43 Y H H 123.51 3.25 19.75 22.83 92.05 49.93 -64.79 -41.83 0.53 0.00 99.47 0.08 0.03 0.32 99.44 0.14 0.00 0.00 0.00 44 Y H H 112.93 3.45 19.56 22.99 92.02 49.29 -65.17 -41.43 0.57 0.00 99.43 0.08 0.04 0.36 99.36 0.16 0.00 0.00 0.00 45 A H H 31.23 9.03 15.96 26.29 92.09 50.84 -64.06 -41.72 0.97 0.00 99.03 0.12 0.06 0.65 98.96 0.21 0.00 0.00 0.00 46 F H H 92.30 5.98 17.81 24.39 92.17 49.61 -64.87 -41.45 1.63 0.00 98.36 0.21 0.13 1.12 98.23 0.31 0.00 0.00 0.00 47 R H H 127.06 2.31 19.17 20.85 92.03 49.81 -64.73 -41.59 2.78 0.00 97.22 0.38 0.23 1.89 97.17 0.32 0.00 0.00 0.00 48 D H H 63.44 4.66 17.20 22.68 92.35 49.44 -66.10 -40.19 5.63 0.01 94.36 1.00 0.45 3.60 94.56 0.38 0.00 0.00 0.00 49 R H H 97.52 7.82 16.08 24.50 92.19 51.13 -64.74 -40.92 2.02 0.00 97.97 0.48 0.22 1.07 97.95 0.29 0.00 0.00 0.00 50 R H H 126.24 3.30 17.81 21.43 92.17 50.34 -64.82 -41.04 1.42 0.00 98.57 0.30 0.13 0.79 98.54 0.25 0.00 0.00 0.00 51 Q H H 94.62 2.53 18.18 20.39 92.01 49.60 -65.00 -40.97 1.34 0.00 98.66 0.29 0.12 0.73 98.64 0.23 0.00 0.00 0.00 52 K H H 97.54 5.34 17.10 23.06 92.09 50.00 -64.92 -40.89 1.09 0.00 98.91 0.23 0.09 0.56 98.95 0.16 0.00 0.00 0.00 53 K H H 91.92 7.19 16.59 24.61 92.02 50.52 -64.47 -40.74 0.93 0.00 99.07 0.16 0.07 0.51 99.11 0.15 0.00 0.00 0.00 54 R H H 122.79 3.03 18.45 21.57 92.06 50.36 -64.59 -41.44 0.74 0.00 99.26 0.11 0.05 0.42 99.30 0.12 0.00 0.00 0.00 55 D H H 75.32 3.08 19.15 21.99 91.82 49.38 -65.12 -41.21 0.79 0.00 99.21 0.12 0.05 0.45 99.27 0.10 0.00 0.00 0.00 56 F H H 73.02 8.92 17.20 27.10 92.23 49.93 -64.56 -41.64 0.48 0.00 99.52 0.07 0.03 0.28 99.55 0.08 0.00 0.00 0.00 57 R H H 94.98 10.82 17.68 28.79 91.85 51.40 -63.57 -41.33 0.27 0.00 99.73 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 58 K H H 119.60 3.09 20.75 23.71 91.87 50.03 -64.71 -41.09 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 59 L H H 77.40 4.78 21.17 26.14 92.09 49.44 -64.92 -41.63 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 60 W H H 42.28 16.23 18.27 34.61 91.94 49.81 -64.15 -42.51 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 61 I H H 47.86 13.20 20.01 33.42 91.66 50.00 -63.51 -41.95 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 62 A H H 56.17 3.36 24.14 26.80 91.60 50.51 -64.23 -41.62 0.13 0.00 99.87 0.01 0.01 0.09 99.87 0.03 0.00 0.00 0.00 63 R H H 89.17 9.91 23.28 33.16 91.95 49.27 -65.52 -41.39 0.27 0.00 99.73 0.02 0.01 0.21 99.73 0.04 0.00 0.00 0.00 64 I H H 9.14 22.91 18.72 41.53 91.59 49.46 -64.52 -42.97 0.22 0.00 99.78 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 65 N H H 65.16 9.78 23.50 33.37 91.41 50.79 -62.91 -41.73 0.25 0.00 99.75 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 66 A H H 45.97 3.51 24.76 27.92 91.28 50.26 -63.51 -42.02 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.04 0.00 0.00 0.00 67 A H H 12.63 13.48 19.28 34.24 91.77 50.58 -64.16 -42.29 0.16 0.00 99.84 0.01 0.01 0.10 99.83 0.05 0.00 0.00 0.00 68 A H H 8.75 17.39 14.75 33.14 91.45 51.37 -63.35 -41.89 0.31 0.00 99.69 0.03 0.01 0.19 99.66 0.10 0.00 0.00 0.00 69 R H H 161.37 2.10 19.61 21.82 91.78 50.39 -63.46 -40.81 0.78 0.00 99.21 0.06 0.03 0.60 98.95 0.37 0.00 0.00 0.00 70 M H H 121.75 3.36 17.26 21.45 91.62 51.68 -66.50 -31.54 5.10 0.00 94.90 0.11 0.15 4.93 94.31 0.50 0.00 0.00 0.00 71 N C T 66.82 10.23 13.40 24.71 95.30 43.54 -94.71 3.42 64.95 0.01 35.04 0.28 0.88 63.75 34.41 0.67 0.00 0.00 0.01 72 G C T 62.58 0.95 19.37 18.62 94.61 -112.60 74.12 19.88 99.91 0.00 0.09 1.01 1.04 97.90 0.04 0.01 0.00 0.00 0.00 73 L C C 34.77 16.36 9.71 25.99 123.30 135.88 -105.08 145.33 99.71 0.26 0.04 96.32 3.30 0.07 0.02 0.01 0.00 0.06 0.22 74 S C C 59.33 2.71 22.99 24.24 119.52 -122.07 -80.33 156.36 99.78 0.16 0.06 99.54 0.26 0.03 0.03 0.00 0.00 0.04 0.09 75 Y H H 75.00 17.97 12.91 30.12 92.02 -115.38 -59.03 -38.40 1.79 0.00 98.20 0.37 0.25 0.92 98.01 0.45 0.00 0.00 0.00 76 S H H 72.93 2.61 20.70 23.22 91.39 55.58 -63.29 -39.80 0.69 0.00 99.31 0.08 0.05 0.44 98.87 0.57 0.00 0.00 0.00 77 K H H 99.76 5.81 21.27 27.49 91.93 49.67 -65.76 -40.45 0.22 0.00 99.78 0.03 0.01 0.13 99.33 0.50 0.00 0.00 0.00 78 L H H 6.43 23.68 15.27 38.98 91.81 50.31 -64.15 -43.26 0.25 0.00 99.75 0.03 0.01 0.14 99.61 0.21 0.00 0.00 0.00 79 M H H 57.11 13.32 20.60 33.74 91.77 50.17 -63.66 -42.18 0.42 0.00 99.58 0.04 0.02 0.28 99.59 0.08 0.00 0.00 0.00 80 H H H 102.63 2.59 24.51 25.77 91.64 50.52 -63.85 -41.87 0.45 0.00 99.55 0.04 0.02 0.29 99.55 0.09 0.00 0.00 0.00 81 G H H 9.10 13.86 18.80 33.92 91.95 51.05 -63.67 -42.44 0.54 0.00 99.46 0.04 0.03 0.36 99.36 0.20 0.00 0.00 0.00 82 L H H 10.77 21.03 15.27 36.38 92.07 50.38 -64.09 -42.08 0.67 0.00 99.33 0.07 0.04 0.46 98.93 0.50 0.00 0.00 0.00 83 K H H 127.03 3.92 19.96 24.83 91.83 50.28 -63.70 -40.41 1.36 0.00 98.64 0.08 0.06 1.09 98.07 0.70 0.00 0.00 0.00 84 L H H 99.41 4.42 18.45 23.56 91.13 53.11 -65.43 -31.95 7.55 0.01 92.45 0.17 0.25 7.29 91.58 0.69 0.01 0.00 0.00 85 A C T 26.13 14.92 13.44 29.00 94.21 49.18 -88.25 1.22 83.11 0.04 16.85 0.62 1.84 79.59 17.15 0.75 0.00 0.01 0.04 86 E C T 154.74 1.51 20.17 21.17 93.80 -120.30 59.10 38.98 98.96 0.02 1.01 2.63 1.61 94.96 0.62 0.17 0.00 0.01 0.01 87 I C C 27.75 19.67 10.37 29.37 115.11 152.55 -100.53 124.55 97.01 2.17 0.82 92.83 3.29 1.13 0.38 0.33 0.00 1.41 0.64 88 D C C 111.61 2.04 22.55 23.98 107.81 -144.17 -90.10 107.65 95.32 4.15 0.53 90.60 3.81 1.21 0.23 0.24 0.00 3.00 0.91 89 I C C 26.68 21.39 10.22 30.50 125.75 163.97 -118.00 140.75 93.29 6.45 0.26 84.74 9.01 0.27 0.18 0.08 0.00 3.11 2.61 90 N C C 83.96 3.63 22.64 25.37 118.10 -122.73 -82.87 155.44 98.99 0.78 0.23 98.36 0.75 0.11 0.16 0.02 0.00 0.38 0.21 91 R H H 105.81 14.74 14.06 28.37 92.12 -114.04 -59.87 -37.58 1.48 0.00 98.51 0.22 0.20 0.82 98.48 0.28 0.00 0.00 0.00 92 K H H 129.58 3.56 20.11 24.43 91.76 53.91 -63.84 -40.65 0.73 0.00 99.27 0.06 0.06 0.50 99.01 0.37 0.00 0.00 0.00 93 M H H 62.84 8.97 20.58 30.19 92.14 48.65 -65.79 -41.37 0.43 0.00 99.57 0.05 0.03 0.27 99.20 0.44 0.00 0.00 0.00 94 L H H 8.75 22.35 17.43 39.66 91.36 50.28 -63.50 -42.86 0.20 0.00 99.80 0.02 0.01 0.11 99.78 0.08 0.00 0.00 0.00 95 A H H 17.49 15.43 20.08 35.94 91.48 51.51 -63.13 -41.94 0.35 0.00 99.65 0.04 0.02 0.20 99.67 0.07 0.00 0.00 0.00 96 D H H 73.32 4.42 25.49 29.87 91.66 50.34 -64.49 -41.19 0.78 0.00 99.21 0.05 0.04 0.58 99.22 0.12 0.00 0.00 0.00 97 L H H 21.70 14.74 20.67 36.09 91.73 50.49 -64.34 -41.64 0.73 0.00 99.26 0.05 0.05 0.51 99.13 0.26 0.00 0.00 0.00 98 A H H 8.60 21.27 16.91 38.06 91.91 51.66 -65.56 -35.66 1.69 0.01 98.31 0.18 0.11 1.23 97.91 0.56 0.00 0.00 0.00 99 V H H 70.46 10.25 20.20 30.43 94.83 48.76 -75.29 -31.85 7.17 0.01 92.83 0.16 0.28 6.73 92.25 0.56 0.00 0.00 0.00 100 N H H 103.56 3.33 20.15 23.73 100.56 32.35 -97.38 -21.82 16.73 0.04 83.24 0.51 1.92 13.84 83.27 0.41 0.02 0.01 0.02 101 D C C 61.70 8.85 16.92 26.71 116.17 16.58 -138.26 96.50 98.74 0.14 1.11 94.36 3.73 0.63 1.04 0.10 0.00 0.04 0.11 102 A H H 45.01 14.84 14.39 29.25 93.87 175.83 -63.05 -35.81 2.26 0.00 97.74 0.23 0.17 1.62 96.96 1.02 0.00 0.00 0.00 103 A H H 71.69 2.70 23.35 25.73 91.48 55.93 -63.76 -40.10 0.94 0.00 99.06 0.05 0.04 0.76 98.22 0.93 0.00 0.00 0.00 104 A H H 19.88 11.68 19.79 32.78 91.50 51.12 -64.57 -41.58 0.27 0.00 99.73 0.03 0.01 0.18 99.05 0.73 0.00 0.00 0.00 105 F H H 8.13 24.19 16.97 41.07 91.73 50.62 -63.67 -42.95 0.16 0.00 99.84 0.02 0.01 0.09 99.73 0.15 0.00 0.00 0.00 106 T H H 54.10 9.25 24.03 33.39 91.56 50.63 -63.81 -42.04 0.13 0.00 99.87 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 107 A H H 49.17 3.96 25.81 29.52 91.34 50.93 -63.34 -42.73 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 108 L H H 11.74 19.61 21.05 40.61 91.49 49.43 -64.33 -43.09 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 109 A H H 10.94 19.67 19.75 39.38 91.28 51.06 -62.58 -42.88 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 110 E H H 109.71 2.92 25.99 28.22 91.32 50.02 -63.74 -41.75 0.17 0.00 99.83 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 111 Q H H 76.21 6.38 23.87 30.45 91.80 48.99 -64.65 -41.49 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 112 A H H 5.57 20.96 15.73 37.17 91.60 50.49 -64.25 -42.10 0.38 0.00 99.62 0.04 0.02 0.22 99.64 0.08 0.00 0.00 0.00 113 K H H 91.04 9.43 19.95 29.67 91.61 51.39 -63.19 -41.12 0.91 0.00 99.09 0.11 0.05 0.60 99.05 0.20 0.00 0.00 0.00 114 D H H 90.30 1.70 21.65 21.38 92.19 49.75 -65.17 -39.82 2.52 0.00 97.48 0.26 0.16 1.80 97.34 0.44 0.00 0.00 0.00 115 A H H 37.22 9.36 15.15 25.91 92.50 51.35 -66.43 -37.30 7.64 0.01 92.34 0.74 0.54 5.77 92.07 0.87 0.00 0.00 0.00 116 L H H 56.95 13.80 11.74 25.56 93.02 52.96 -70.47 -28.86 23.12 0.08 76.81 2.86 2.33 17.26 76.19 1.27 0.02 0.03 0.05 117 S C H 85.59 2.06 13.57 16.39 96.57 56.67 -80.77 -6.08 56.83 0.19 42.98 20.15 1.55 31.77 45.16 1.18 0.00 0.06 0.13 118 K C C 140.65 3.06 12.42 17.04 104.10 84.03 -81.80 52.38 99.94 0.01 0.05 99.79 0.07 0.11 0.03 0.00 0.00 0.00 0.00