# 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 96.31 9.27 12.07 22.30 117.26 -154.19 -92.49 135.79 99.99 0.01 0.00 99.93 0.06 0.01 0.00 0.00 0.00 0.00 0.00 1 P C C 83.38 5.50 12.12 19.28 113.24 -109.93 -67.43 147.99 98.64 0.38 0.98 97.36 0.24 1.52 0.32 0.26 0.00 0.17 0.13 2 R C C 165.95 3.20 11.79 16.91 113.78 -125.72 -88.68 133.52 91.79 5.56 2.65 80.53 7.44 3.75 1.10 1.37 0.00 2.79 3.02 3 V C C 72.04 10.76 9.08 20.42 115.77 -144.89 -96.67 130.32 90.17 6.66 3.17 79.81 7.68 2.78 1.59 1.43 0.00 4.06 2.65 4 K C C 145.89 2.66 14.25 18.17 114.39 -158.48 -94.71 134.84 89.67 4.98 5.35 68.79 12.46 8.47 3.45 1.90 0.00 3.34 1.60 5 G C C 43.06 6.84 12.31 20.27 115.18 31.08 -82.92 146.15 89.31 1.75 8.94 51.86 23.25 14.17 6.66 2.41 0.00 0.86 0.79 6 G C C 35.04 6.42 12.89 20.60 119.83 122.74 90.58 -172.75 70.01 0.94 29.05 40.38 19.87 8.90 27.29 2.73 0.00 0.35 0.48 7 T H H 95.01 2.62 15.04 18.04 95.71 -57.29 -67.67 -33.57 26.49 0.56 72.95 12.40 7.55 8.45 68.33 2.77 0.03 0.24 0.24 8 V H H 71.71 5.44 15.51 21.98 93.89 52.02 -67.31 -39.97 17.24 0.56 82.20 8.99 3.73 5.91 78.44 2.43 0.03 0.29 0.18 9 T H H 35.79 11.57 13.33 26.01 93.53 51.38 -66.02 -41.00 11.75 0.33 87.91 7.60 2.00 3.17 85.12 1.83 0.01 0.18 0.10 10 R H H 119.30 5.52 16.80 23.40 92.38 51.71 -64.77 -40.61 5.09 0.08 94.84 2.70 0.79 1.71 93.87 0.87 0.00 0.04 0.02 11 K H H 118.23 2.17 19.21 20.62 92.29 50.19 -65.27 -41.20 2.78 0.03 97.19 1.22 0.37 1.11 96.75 0.52 0.00 0.01 0.01 12 R H H 90.84 8.69 17.40 26.88 92.17 49.51 -65.57 -40.83 1.93 0.01 98.05 0.75 0.23 0.84 97.77 0.40 0.00 0.01 0.00 13 R H H 72.69 14.50 15.78 30.08 91.86 51.60 -63.35 -41.23 1.33 0.01 98.67 0.41 0.14 0.63 98.55 0.27 0.00 0.00 0.00 14 K H H 113.12 3.52 20.49 24.17 91.93 50.69 -64.49 -40.47 1.21 0.00 98.79 0.32 0.12 0.60 98.74 0.21 0.00 0.00 0.00 15 K H H 105.49 3.41 21.07 24.06 91.87 50.06 -64.82 -41.23 1.53 0.01 98.47 0.37 0.15 0.83 98.44 0.22 0.00 0.00 0.00 16 I H H 26.94 15.23 16.48 32.33 92.25 49.35 -64.65 -42.56 1.18 0.01 98.82 0.26 0.13 0.69 98.61 0.31 0.00 0.00 0.00 17 V H H 43.12 12.65 16.99 30.26 91.87 50.30 -63.65 -40.63 1.14 0.01 98.85 0.22 0.12 0.72 98.10 0.84 0.00 0.00 0.00 18 K H H 130.22 1.91 21.80 22.55 91.93 51.28 -64.59 -39.54 3.32 0.01 96.68 0.30 0.22 2.63 94.83 2.00 0.01 0.01 0.00 19 L H H 77.28 6.78 18.12 25.71 92.21 50.34 -68.37 -33.64 8.74 0.01 91.24 0.38 0.52 7.69 89.04 2.34 0.02 0.01 0.01 20 A H H 15.17 18.70 11.28 29.73 94.31 53.76 -80.26 -13.32 32.78 0.12 67.10 3.72 3.57 25.26 61.94 5.32 0.05 0.04 0.10 21 K C T 136.99 4.62 15.80 22.57 102.31 108.49 -64.82 89.77 66.57 0.20 33.23 3.35 3.50 59.27 16.46 17.11 0.01 0.09 0.21 22 G C T 60.39 1.35 16.88 17.69 97.34 28.88 64.87 -1.90 74.23 0.20 25.57 4.77 5.51 63.77 7.54 18.13 0.00 0.11 0.17 23 Y C C 97.23 11.72 10.44 22.55 111.45 96.11 -91.53 114.90 82.38 1.56 16.06 58.21 11.61 11.85 3.81 12.82 0.00 0.78 0.91 24 Y C C 148.26 4.73 12.99 19.46 119.42 135.20 -110.47 139.10 90.23 5.23 4.55 69.49 10.44 9.99 2.05 2.32 0.00 2.45 3.25 25 G C C 41.38 4.84 13.32 19.80 127.75 76.89 129.29 -170.73 92.83 3.75 3.42 46.74 32.03 14.45 1.04 2.24 0.00 1.99 1.50 26 S C C 67.82 3.32 13.98 18.13 116.62 -63.23 -85.88 147.26 94.05 2.64 3.31 72.58 15.98 5.45 1.59 1.63 0.00 1.21 1.56 27 K H H 137.50 4.75 11.21 17.88 94.59 -123.26 -64.31 -30.87 46.36 0.82 52.82 14.51 14.49 18.59 39.01 12.45 0.09 0.35 0.51 28 H H H 146.46 1.47 13.93 15.37 94.17 58.48 -70.22 -30.59 38.14 0.29 61.57 5.03 6.60 25.44 48.30 14.20 0.10 0.13 0.19 29 L H H 86.65 3.98 14.00 19.07 98.30 46.41 -80.74 -22.15 33.55 0.64 65.80 9.77 5.06 18.50 51.51 14.40 0.09 0.35 0.32 30 L H H 51.70 10.72 12.52 24.48 93.57 65.27 -64.83 -40.55 13.62 0.35 86.03 8.77 2.43 3.43 82.57 2.50 0.01 0.16 0.12 31 F H H 93.86 8.19 16.03 25.11 92.57 51.35 -65.15 -41.23 3.54 0.06 96.40 1.57 0.52 1.36 95.75 0.74 0.00 0.03 0.01 32 K H H 123.15 2.25 20.15 21.70 92.58 49.52 -65.60 -41.14 2.11 0.03 97.86 0.81 0.25 0.94 97.42 0.56 0.00 0.02 0.01 33 V H H 58.27 6.11 19.27 26.35 92.54 48.60 -65.59 -41.84 1.26 0.01 98.73 0.41 0.14 0.59 98.55 0.30 0.00 0.01 0.00 34 A H H 16.76 14.17 15.59 31.02 91.88 51.07 -63.62 -42.22 0.77 0.00 99.23 0.23 0.07 0.35 99.21 0.14 0.00 0.00 0.00 35 N H H 71.15 7.04 20.26 27.81 91.88 50.28 -64.31 -41.15 0.54 0.00 99.46 0.12 0.04 0.27 99.49 0.08 0.00 0.00 0.00 36 Q H H 97.02 2.86 22.14 24.25 91.96 49.66 -64.95 -41.21 0.24 0.00 99.76 0.04 0.01 0.13 99.77 0.05 0.00 0.00 0.00 37 A H H 34.01 8.60 18.71 28.61 92.29 49.98 -64.91 -41.19 0.22 0.00 99.78 0.03 0.01 0.12 99.79 0.04 0.00 0.00 0.00 38 V H H 40.85 12.20 17.38 30.30 92.26 49.71 -64.47 -42.22 0.32 0.00 99.68 0.04 0.02 0.19 99.70 0.05 0.00 0.00 0.00 39 M H H 91.04 4.52 20.32 24.95 91.92 49.58 -64.18 -41.48 0.48 0.00 99.52 0.06 0.02 0.29 99.56 0.07 0.00 0.00 0.00 40 K H H 112.83 2.76 20.62 22.93 92.08 49.64 -64.82 -41.22 0.71 0.00 99.29 0.08 0.04 0.44 99.34 0.09 0.00 0.00 0.00 41 S H H 34.89 9.21 16.88 27.20 92.21 50.29 -64.70 -40.90 0.70 0.00 99.30 0.08 0.04 0.43 99.32 0.12 0.00 0.00 0.00 42 Y H H 100.81 7.98 18.05 26.38 92.32 50.29 -64.92 -40.44 0.63 0.00 99.37 0.08 0.03 0.39 99.36 0.15 0.00 0.00 0.00 43 Q H H 96.18 3.00 19.64 22.37 92.09 50.40 -64.80 -41.56 0.61 0.00 99.39 0.08 0.04 0.38 99.37 0.14 0.00 0.00 0.00 44 Y H H 109.76 3.86 19.27 23.33 92.10 49.24 -65.15 -41.24 0.78 0.00 99.22 0.10 0.05 0.50 99.14 0.20 0.00 0.00 0.00 45 A H H 31.03 9.20 15.64 26.15 92.06 50.97 -64.13 -41.60 1.19 0.00 98.81 0.16 0.08 0.76 98.74 0.26 0.00 0.00 0.00 46 Y H H 109.59 4.99 18.07 23.46 92.14 49.60 -64.90 -41.33 1.95 0.00 98.04 0.29 0.16 1.30 97.86 0.39 0.00 0.00 0.00 47 R H H 128.48 2.22 19.09 20.61 92.20 49.77 -64.90 -41.41 3.09 0.01 96.90 0.46 0.27 2.05 96.82 0.39 0.00 0.00 0.00 48 D H H 60.97 5.11 16.84 22.92 92.53 49.45 -66.28 -39.72 6.42 0.01 93.58 1.33 0.56 3.90 93.75 0.45 0.00 0.00 0.00 49 R H H 100.19 7.64 16.13 24.32 92.22 51.54 -64.63 -40.95 2.27 0.00 97.73 0.55 0.24 1.18 97.70 0.32 0.00 0.00 0.00 50 R H H 128.23 3.03 17.82 21.07 92.22 50.21 -64.99 -41.09 1.55 0.00 98.45 0.31 0.14 0.86 98.40 0.27 0.00 0.00 0.00 51 Q H H 94.73 2.59 18.07 20.43 92.06 49.61 -65.20 -40.98 1.48 0.00 98.52 0.33 0.14 0.79 98.47 0.26 0.00 0.00 0.00 52 K H H 96.44 5.66 16.94 23.18 92.17 50.05 -64.81 -40.96 1.29 0.00 98.71 0.29 0.11 0.67 98.74 0.19 0.00 0.00 0.00 53 K H H 93.04 6.94 16.72 24.45 92.08 50.48 -64.60 -40.74 1.01 0.00 98.99 0.19 0.08 0.55 99.01 0.17 0.00 0.00 0.00 54 R H H 121.67 3.06 18.48 21.62 92.04 50.47 -64.67 -41.40 0.76 0.00 99.24 0.12 0.06 0.43 99.26 0.14 0.00 0.00 0.00 55 D H H 73.54 3.32 19.03 22.27 91.88 49.64 -65.03 -41.18 0.85 0.00 99.15 0.13 0.05 0.50 99.20 0.12 0.00 0.00 0.00 56 F H H 72.59 8.94 17.20 27.09 92.26 49.94 -64.48 -41.77 0.51 0.00 99.49 0.07 0.03 0.30 99.52 0.09 0.00 0.00 0.00 57 R H H 95.41 10.66 17.71 28.68 91.91 51.50 -63.67 -41.48 0.28 0.00 99.72 0.03 0.01 0.16 99.74 0.06 0.00 0.00 0.00 58 R H H 137.28 2.98 20.67 23.55 91.87 49.89 -64.84 -41.09 0.20 0.00 99.80 0.02 0.01 0.13 99.80 0.05 0.00 0.00 0.00 59 L H H 77.02 4.91 21.03 26.12 92.12 49.36 -64.86 -41.62 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 60 W H H 42.80 16.19 18.23 34.52 91.98 49.63 -64.36 -42.34 0.13 0.00 99.87 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 61 I H H 48.27 13.10 19.95 33.27 91.72 49.99 -63.52 -42.01 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 62 A H H 55.96 3.34 24.05 26.63 91.74 50.42 -64.28 -41.69 0.12 0.00 99.88 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 63 R H H 90.07 9.78 23.21 32.92 92.00 49.21 -65.48 -41.49 0.25 0.00 99.75 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 64 I H H 9.04 22.90 18.58 41.32 91.64 49.57 -64.63 -43.14 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 65.84 9.51 23.41 33.04 91.45 50.84 -63.01 -41.77 0.29 0.00 99.71 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 66 A H H 46.63 3.35 24.52 27.42 91.31 50.54 -63.59 -41.87 0.20 0.00 99.80 0.01 0.00 0.12 99.81 0.05 0.00 0.00 0.00 67 A H H 12.34 13.30 19.09 33.94 91.77 50.54 -64.27 -42.17 0.18 0.00 99.82 0.01 0.01 0.11 99.79 0.07 0.00 0.00 0.00 68 A H H 8.70 17.23 14.55 32.81 91.46 51.39 -63.34 -41.85 0.37 0.00 99.63 0.03 0.02 0.24 99.51 0.20 0.00 0.00 0.00 69 R H H 159.44 2.11 19.51 21.65 91.95 50.33 -63.98 -40.56 0.93 0.00 99.07 0.06 0.03 0.72 98.69 0.49 0.00 0.00 0.00 70 M H H 120.58 3.13 17.25 21.09 91.49 51.71 -66.15 -31.70 5.70 0.00 94.29 0.13 0.18 5.49 93.66 0.53 0.00 0.00 0.00 71 Q C T 70.21 10.33 12.95 24.46 96.43 42.72 -97.55 6.75 79.86 0.01 20.13 0.33 1.10 77.71 20.28 0.55 0.00 0.00 0.01 72 D C T 131.34 0.74 18.36 17.29 93.56 -118.35 59.64 36.73 99.85 0.00 0.14 0.73 0.92 98.27 0.06 0.01 0.00 0.00 0.00 73 L C C 34.14 16.16 9.70 25.84 124.81 139.11 -113.32 146.79 99.69 0.26 0.06 96.52 3.07 0.09 0.03 0.01 0.00 0.07 0.21 74 S C C 60.82 2.54 22.90 23.85 119.03 -121.30 -80.83 155.45 99.72 0.20 0.08 99.51 0.23 0.04 0.05 0.00 0.00 0.04 0.13 75 Y H H 74.54 18.00 12.71 29.91 92.22 -117.90 -59.10 -38.43 1.75 0.00 98.25 0.33 0.23 0.92 98.15 0.38 0.00 0.00 0.00 76 S H H 72.22 2.68 20.61 23.23 91.49 55.46 -63.17 -39.73 0.68 0.00 99.32 0.07 0.04 0.45 98.92 0.52 0.00 0.00 0.00 77 K H H 101.49 5.47 21.30 27.16 91.94 49.59 -65.82 -40.49 0.22 0.00 99.78 0.02 0.01 0.13 99.36 0.46 0.00 0.00 0.00 78 L H H 6.34 23.62 15.29 38.93 91.82 50.19 -64.19 -43.40 0.24 0.00 99.76 0.02 0.01 0.14 99.67 0.16 0.00 0.00 0.00 79 M H H 54.87 13.78 20.54 34.06 91.75 50.00 -63.69 -42.23 0.27 0.00 99.73 0.02 0.01 0.17 99.74 0.05 0.00 0.00 0.00 80 H H H 102.95 2.53 24.70 25.86 91.79 50.42 -63.80 -41.93 0.23 0.00 99.77 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 81 G H H 9.39 13.45 19.03 33.79 91.96 51.10 -63.38 -42.50 0.26 0.00 99.74 0.02 0.01 0.17 99.73 0.06 0.00 0.00 0.00 82 L H H 9.95 21.22 15.14 36.47 92.00 50.35 -64.03 -42.36 0.24 0.00 99.76 0.02 0.01 0.16 99.67 0.13 0.00 0.00 0.00 83 K H H 129.33 3.92 19.79 24.84 91.43 50.62 -63.11 -40.75 0.42 0.00 99.58 0.02 0.02 0.32 99.36 0.29 0.00 0.00 0.00 84 L H H 105.30 4.10 18.44 23.28 90.93 53.63 -65.29 -30.68 4.17 0.00 95.83 0.06 0.09 4.19 95.26 0.39 0.00 0.00 0.00 85 A C T 30.98 14.38 13.81 28.79 93.32 51.12 -86.74 -1.25 71.87 0.01 28.12 0.17 0.60 71.44 27.26 0.51 0.00 0.00 0.01 86 G C T 56.98 1.76 21.26 22.25 94.44 -113.71 74.97 21.83 99.85 0.00 0.14 0.70 0.56 98.67 0.05 0.02 0.00 0.00 0.00 87 I C C 27.20 19.62 10.27 29.30 115.14 142.39 -99.30 122.99 98.28 1.54 0.18 96.30 1.96 0.25 0.07 0.06 0.00 0.89 0.47 88 D C C 110.65 2.08 22.70 24.24 109.44 -146.02 -93.05 110.33 97.66 2.16 0.18 94.73 2.78 0.45 0.07 0.07 0.00 1.37 0.52 89 I C C 24.74 22.08 10.15 31.05 124.87 164.47 -118.67 139.22 97.18 2.64 0.17 90.36 7.09 0.17 0.11 0.04 0.00 1.07 1.15 90 N C C 83.13 3.73 22.72 25.64 118.96 -124.05 -82.18 156.65 99.40 0.38 0.22 98.78 0.66 0.10 0.16 0.02 0.00 0.14 0.14 91 R H H 109.10 14.24 14.25 28.19 92.01 -113.20 -59.76 -37.34 1.45 0.00 98.55 0.23 0.19 0.78 98.54 0.26 0.00 0.00 0.00 92 K H H 128.31 3.69 20.18 24.56 91.77 54.09 -63.96 -40.59 0.69 0.00 99.31 0.06 0.06 0.46 99.09 0.33 0.00 0.00 0.00 93 M H H 60.75 9.51 20.50 30.65 92.13 48.90 -65.55 -41.55 0.37 0.00 99.63 0.04 0.02 0.23 99.34 0.37 0.00 0.00 0.00 94 L H H 9.37 22.21 17.65 39.65 91.49 50.26 -63.41 -42.88 0.18 0.00 99.82 0.02 0.01 0.10 99.79 0.07 0.00 0.00 0.00 95 A H H 19.08 14.76 20.29 35.56 91.52 51.30 -63.23 -41.69 0.33 0.00 99.67 0.03 0.02 0.19 99.70 0.06 0.00 0.00 0.00 96 D H H 71.65 4.66 25.39 30.10 91.65 50.33 -64.57 -41.17 0.66 0.00 99.34 0.05 0.03 0.46 99.38 0.09 0.00 0.00 0.00 97 L H H 20.41 15.12 20.43 36.24 91.75 50.60 -64.33 -42.06 0.59 0.00 99.41 0.04 0.04 0.39 99.32 0.20 0.00 0.00 0.00 98 A H H 9.97 20.51 16.95 37.37 91.92 52.04 -65.43 -36.12 1.33 0.00 98.66 0.13 0.08 0.97 98.37 0.45 0.00 0.00 0.00 99 V H H 72.76 9.50 20.14 29.71 94.87 48.69 -75.37 -34.03 5.94 0.00 94.06 0.11 0.20 5.66 93.55 0.47 0.00 0.00 0.00 100 N H H 101.95 3.49 19.71 23.53 100.86 31.46 -97.32 -22.48 14.25 0.03 85.72 0.36 1.51 12.03 85.72 0.35 0.02 0.01 0.02 101 D C C 62.09 8.77 16.65 26.36 116.23 15.62 -138.24 94.81 99.12 0.13 0.75 94.35 4.18 0.56 0.70 0.07 0.00 0.04 0.11 102 I H H 71.61 14.49 14.26 28.79 94.00 174.34 -63.67 -35.89 1.92 0.00 98.08 0.23 0.15 1.30 97.29 1.02 0.00 0.00 0.00 103 A H H 69.57 2.60 22.96 24.96 91.50 55.13 -63.64 -40.15 0.88 0.00 99.12 0.05 0.04 0.71 98.17 1.04 0.00 0.00 0.00 104 S H H 21.28 10.94 19.48 31.86 91.60 51.12 -64.49 -41.24 0.37 0.00 99.63 0.03 0.02 0.25 98.69 1.01 0.00 0.00 0.00 105 F H H 8.71 23.79 16.14 39.88 91.75 50.94 -63.79 -42.57 0.23 0.00 99.77 0.03 0.01 0.14 99.61 0.21 0.00 0.00 0.00 106 N H H 68.06 8.70 23.32 32.15 91.55 51.43 -63.42 -41.81 0.23 0.00 99.77 0.02 0.01 0.14 99.77 0.05 0.00 0.00 0.00 107 T H H 73.60 3.16 25.90 28.16 91.69 50.30 -64.40 -42.22 0.24 0.00 99.76 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 108 L H H 14.72 18.72 20.70 39.38 91.62 48.93 -64.54 -42.82 0.20 0.00 99.80 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 109 A H H 11.14 19.25 19.41 38.72 91.28 50.57 -62.80 -42.83 0.20 0.00 99.80 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 110 D H H 84.14 2.90 25.72 27.77 91.45 49.96 -64.04 -41.42 0.30 0.00 99.70 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 111 S H H 42.33 6.18 23.13 29.78 91.70 49.33 -64.55 -41.34 0.28 0.00 99.72 0.02 0.01 0.17 99.75 0.04 0.00 0.00 0.00 112 A H H 6.43 20.42 15.63 36.53 91.73 51.03 -64.35 -42.17 0.33 0.00 99.67 0.04 0.02 0.19 99.68 0.07 0.00 0.00 0.00 113 K H H 94.32 8.85 20.01 29.25 91.60 51.55 -63.28 -41.28 0.58 0.00 99.42 0.07 0.03 0.36 99.40 0.14 0.00 0.00 0.00 114 K H H 128.27 1.51 21.62 21.09 92.25 49.95 -64.79 -40.62 1.36 0.00 98.64 0.14 0.08 0.94 98.51 0.32 0.00 0.00 0.00 115 A H H 37.04 9.01 15.15 25.69 92.29 50.87 -66.07 -38.64 4.34 0.01 95.65 0.39 0.27 3.25 95.47 0.61 0.00 0.00 0.00 116 L H H 56.97 13.53 11.87 25.55 92.66 52.00 -68.87 -30.39 16.32 0.04 83.64 1.66 1.30 12.42 83.65 0.92 0.01 0.01 0.02 117 A H H 83.41 2.16 13.50 16.49 95.16 56.66 -75.96 -14.83 49.04 0.16 50.80 16.01 1.27 28.51 53.07 0.97 0.00 0.05 0.12 118 K C C 141.44 2.94 12.83 17.17 102.59 79.65 -79.36 12.39 99.94 0.01 0.06 99.70 0.08 0.16 0.05 0.00 0.00 0.00 0.00