# 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 107.56 7.77 11.21 20.06 115.77 -149.52 -91.37 133.03 99.97 0.03 0.00 99.93 0.04 0.02 0.00 0.00 0.00 0.01 0.00 1 A C C 79.03 3.58 10.23 15.53 111.71 -128.87 -79.76 140.93 93.10 2.51 4.39 87.28 1.25 5.55 1.11 2.36 0.00 1.55 0.89 2 S C C 87.71 2.37 9.68 13.72 110.30 -132.47 -89.54 109.80 88.87 4.63 6.50 57.02 18.34 13.32 1.17 5.75 0.00 2.94 1.45 3 L C C 105.71 5.60 9.95 17.24 117.06 -128.17 -99.43 135.59 85.39 6.62 7.99 59.24 17.97 8.19 1.54 6.69 0.00 4.57 1.79 4 L C C 103.32 5.76 13.47 20.81 113.86 -135.04 -88.27 131.96 83.57 10.28 6.15 63.13 14.06 6.32 1.61 4.63 0.00 7.71 2.54 5 C C C 68.76 9.33 13.93 24.15 117.37 -151.68 -101.44 134.09 81.28 14.87 3.85 64.85 11.33 4.52 1.28 2.71 0.00 10.01 5.30 6 C C C 45.28 13.44 12.88 26.59 114.59 -153.27 -100.33 123.23 82.55 15.65 1.79 69.79 10.05 1.94 0.95 0.92 0.00 7.76 8.59 7 G C C 27.38 6.73 16.60 24.34 124.30 -117.66 -79.64 171.29 97.30 0.84 1.86 77.86 18.35 0.83 2.11 0.17 0.00 0.28 0.41 8 P H H 96.70 3.72 15.29 20.12 92.23 -83.27 -61.17 -36.48 6.18 0.02 93.79 0.83 0.84 4.29 93.15 0.86 0.01 0.01 0.01 9 K H H 136.17 2.10 17.69 19.79 91.85 51.96 -64.77 -38.85 3.27 0.02 96.72 0.41 0.29 2.43 95.99 0.86 0.00 0.01 0.00 10 L H H 47.99 12.62 15.37 28.51 92.23 50.02 -66.41 -39.94 0.73 0.01 99.26 0.17 0.07 0.41 98.65 0.70 0.00 0.00 0.00 11 A H H 30.72 12.10 15.69 28.72 91.61 53.43 -63.02 -41.77 0.33 0.00 99.67 0.07 0.02 0.17 99.48 0.25 0.00 0.00 0.00 12 A H H 62.20 2.57 22.04 23.50 91.69 50.23 -64.17 -41.77 0.37 0.00 99.63 0.06 0.02 0.22 99.51 0.20 0.00 0.00 0.00 13 C H H 52.55 6.35 20.11 27.18 92.00 49.92 -64.62 -42.12 0.48 0.01 99.51 0.08 0.04 0.30 99.39 0.19 0.00 0.00 0.00 14 G H H 12.07 16.91 15.94 32.97 92.00 51.78 -63.93 -40.88 0.56 0.00 99.43 0.07 0.03 0.37 99.36 0.16 0.00 0.00 0.00 15 I H H 89.32 5.92 20.46 26.76 91.87 50.78 -64.61 -41.51 0.76 0.01 99.23 0.08 0.05 0.54 99.14 0.17 0.00 0.00 0.00 16 V H H 86.32 2.53 22.14 23.66 91.93 49.01 -64.95 -42.29 0.74 0.01 99.25 0.10 0.06 0.50 99.19 0.14 0.00 0.00 0.00 17 L H H 54.43 11.68 18.74 30.75 92.22 48.39 -65.75 -41.41 0.67 0.00 99.33 0.11 0.05 0.41 99.28 0.15 0.00 0.00 0.00 18 S H H 31.21 14.39 17.07 31.57 91.88 52.06 -63.74 -40.47 1.28 0.00 98.72 0.14 0.06 0.91 98.65 0.23 0.00 0.00 0.00 19 A H H 59.78 3.38 21.96 24.62 92.07 50.27 -64.88 -41.58 1.21 0.00 98.79 0.12 0.07 0.86 98.72 0.24 0.00 0.00 0.00 20 W H H 121.46 4.58 21.43 26.06 92.09 49.47 -65.53 -40.92 1.05 0.00 98.95 0.16 0.07 0.66 98.91 0.19 0.00 0.00 0.00 21 G H H 10.77 16.53 15.97 32.98 91.66 53.51 -63.41 -41.98 0.62 0.00 99.38 0.09 0.03 0.36 99.39 0.13 0.00 0.00 0.00 22 V H H 65.30 8.04 20.14 28.47 91.92 50.22 -64.32 -41.99 0.35 0.00 99.65 0.04 0.01 0.22 99.62 0.10 0.00 0.00 0.00 23 I H H 95.64 2.46 22.45 23.80 91.78 48.85 -64.49 -42.17 0.27 0.00 99.73 0.02 0.01 0.17 99.70 0.09 0.00 0.00 0.00 24 M H H 61.12 10.44 18.96 30.06 92.30 49.73 -65.68 -40.92 0.34 0.00 99.66 0.04 0.01 0.21 99.62 0.12 0.00 0.00 0.00 25 L H H 40.09 16.29 16.88 33.10 91.88 51.69 -63.61 -40.60 0.49 0.00 99.51 0.04 0.02 0.36 99.45 0.13 0.00 0.00 0.00 26 I H H 88.39 4.95 21.22 26.17 92.04 50.52 -64.88 -41.54 0.67 0.00 99.33 0.05 0.02 0.52 99.27 0.14 0.00 0.00 0.00 27 M H H 92.21 4.28 21.93 26.11 91.90 49.49 -64.97 -41.72 0.68 0.00 99.32 0.05 0.03 0.47 99.31 0.14 0.00 0.00 0.00 28 L H H 35.84 15.02 17.88 33.17 91.72 51.14 -64.24 -41.48 0.58 0.00 99.42 0.06 0.03 0.37 99.36 0.19 0.00 0.00 0.00 29 G H H 18.58 11.71 17.73 30.40 91.42 52.71 -62.79 -41.48 0.80 0.00 99.20 0.08 0.03 0.53 99.02 0.34 0.00 0.00 0.00 30 I H H 87.86 3.14 21.57 24.24 91.76 50.26 -64.23 -42.18 0.75 0.00 99.25 0.05 0.04 0.56 98.79 0.56 0.00 0.00 0.00 31 F H H 64.39 8.84 17.76 27.89 92.19 50.08 -64.70 -41.39 1.08 0.01 98.91 0.08 0.08 0.82 98.13 0.88 0.00 0.00 0.00 32 F H H 49.64 15.32 14.20 29.76 92.27 50.60 -66.06 -39.15 3.46 0.01 96.53 0.22 0.19 2.96 95.30 1.31 0.01 0.00 0.00 33 N H H 93.29 5.75 17.34 23.80 92.78 50.45 -69.91 -33.07 10.95 0.02 89.03 0.35 0.56 10.24 87.78 1.03 0.02 0.01 0.01 34 V C T 92.93 2.96 17.19 20.19 97.97 41.16 -94.41 -6.98 62.18 0.12 37.70 1.22 4.17 55.57 37.34 1.53 0.03 0.04 0.11 35 H C T 118.64 7.58 15.58 24.04 98.34 -96.09 57.98 34.23 88.17 0.19 11.64 10.87 5.80 70.29 11.78 1.07 0.00 0.07 0.13 36 S C C 36.43 10.54 13.46 25.50 112.60 157.95 -84.59 125.28 88.68 1.30 10.03 84.15 3.00 2.65 5.74 3.06 0.00 0.51 0.90 37 A H G 52.30 9.94 15.20 26.14 94.28 -150.11 -67.24 -22.19 32.01 0.77 67.22 11.23 5.81 14.86 20.21 47.14 0.01 0.43 0.30 38 V H G 74.05 6.93 16.75 24.83 92.08 71.70 -65.19 -28.81 25.27 1.23 73.50 5.18 4.02 15.49 22.65 51.49 0.07 0.79 0.31 39 L H G 59.22 11.24 14.80 26.85 92.43 57.48 -75.24 -22.67 24.16 1.16 74.69 6.65 4.25 13.34 21.59 53.10 0.03 0.74 0.30 40 I H G 49.88 14.39 12.13 26.48 97.83 61.56 -82.16 -12.54 43.53 4.31 52.16 19.10 11.37 14.81 18.58 31.74 0.24 2.15 2.02 41 E C T 123.56 4.59 14.66 20.66 95.03 87.55 -68.03 -29.34 71.45 1.52 27.03 14.04 11.58 45.69 9.80 17.12 0.04 0.78 0.95 42 D C T 112.18 2.32 15.03 17.66 97.32 48.63 -87.94 -3.37 80.96 0.58 18.46 17.52 14.98 48.44 4.41 13.96 0.00 0.28 0.40 43 V C S 45.67 13.68 8.94 22.89 116.94 84.87 -103.49 125.87 97.58 1.15 1.27 39.47 56.08 2.14 0.55 0.56 0.00 0.39 0.81 44 P C C 101.83 2.14 17.87 19.91 108.67 -128.61 -70.75 127.01 98.45 0.62 0.93 87.19 8.50 2.81 0.27 0.57 0.00 0.30 0.35 45 F C C 69.99 15.93 8.47 23.36 120.90 -156.18 -107.33 136.06 96.56 1.34 2.10 88.29 6.47 1.81 0.96 0.90 0.00 0.52 1.04 46 T C C 72.53 2.97 16.45 19.76 124.98 -166.52 -110.62 161.13 95.60 0.90 3.50 86.13 6.64 2.99 1.63 1.55 0.00 0.37 0.69 47 E C G 129.27 5.31 10.96 18.10 92.98 -107.69 -61.96 -30.82 54.26 0.62 45.12 15.61 14.58 24.48 14.43 30.15 0.01 0.27 0.47 48 K C G 155.42 1.14 13.99 14.71 94.43 60.76 -73.58 -25.36 53.27 0.59 46.14 14.31 12.13 26.88 14.36 31.61 0.01 0.27 0.43 49 D C G 60.95 7.29 11.14 20.10 100.66 57.61 -88.30 16.50 52.42 0.89 46.70 31.05 8.50 12.58 15.03 31.93 0.00 0.43 0.48 50 F C G 84.18 12.13 9.74 22.01 95.27 91.11 -70.75 -25.50 51.86 0.62 47.52 17.91 8.39 25.55 18.74 28.65 0.01 0.28 0.47 51 E C T 145.29 1.61 14.79 16.53 94.57 62.17 -74.76 -20.85 56.69 0.42 42.89 9.88 9.86 36.13 16.58 26.95 0.02 0.19 0.39 52 N C T 103.51 2.93 13.51 17.31 99.26 52.05 -92.35 -0.44 65.78 0.65 33.57 22.33 18.82 25.63 12.80 19.54 0.01 0.25 0.63 53 G C C 23.32 6.90 14.23 22.95 125.46 -119.35 90.84 175.06 77.43 0.29 22.29 53.91 17.73 4.34 22.01 1.73 0.00 0.07 0.22 54 P H H 70.42 8.97 13.30 23.25 93.83 -62.82 -63.50 -34.95 17.40 0.10 82.50 5.49 3.21 9.11 78.74 3.35 0.01 0.04 0.05 55 Q H H 119.50 1.89 17.37 18.88 92.69 54.54 -65.03 -39.39 8.51 0.06 91.42 2.57 1.24 4.76 88.42 2.94 0.02 0.03 0.03 56 D H H 67.36 4.76 16.97 22.77 92.61 50.24 -66.35 -39.23 4.02 0.05 95.93 1.94 0.59 1.72 93.33 2.38 0.00 0.03 0.01 57 I H H 31.21 14.79 13.84 29.24 92.46 51.67 -64.49 -42.26 1.76 0.01 98.23 0.74 0.22 0.79 97.41 0.85 0.00 0.01 0.00 58 Y H H 104.57 7.63 18.47 26.86 92.14 50.90 -64.05 -41.26 1.09 0.01 98.91 0.32 0.11 0.55 98.55 0.46 0.00 0.00 0.00 59 K H H 118.62 2.08 22.07 22.77 91.96 49.53 -64.75 -41.53 1.13 0.00 98.86 0.19 0.09 0.73 98.61 0.38 0.00 0.00 0.00 60 L H H 55.18 8.48 18.99 28.66 92.00 49.45 -64.45 -41.41 1.47 0.00 98.52 0.21 0.10 1.00 98.32 0.37 0.00 0.00 0.00 61 Y H H 45.64 16.59 16.72 33.24 92.25 50.48 -64.53 -41.27 1.38 0.00 98.62 0.27 0.11 0.80 98.47 0.35 0.00 0.00 0.00 62 E H H 96.31 5.67 21.98 27.87 91.80 50.25 -64.30 -41.12 1.62 0.00 98.38 0.30 0.12 0.96 98.31 0.30 0.00 0.00 0.00 63 Q H H 94.79 3.17 23.81 26.25 91.73 49.26 -65.13 -41.31 1.62 0.00 98.38 0.20 0.12 1.08 98.34 0.27 0.00 0.00 0.00 64 V H H 30.17 13.92 19.82 34.19 92.15 49.66 -64.72 -42.15 1.57 0.00 98.42 0.30 0.15 0.93 98.32 0.30 0.00 0.00 0.00 65 S H H 22.46 14.80 18.97 34.18 91.86 51.84 -63.20 -41.56 1.70 0.00 98.29 0.27 0.12 1.10 98.14 0.37 0.00 0.00 0.00 66 Y H H 127.31 3.18 25.16 27.69 91.72 49.84 -64.50 -41.57 1.25 0.00 98.75 0.14 0.08 0.86 98.66 0.25 0.00 0.00 0.00 67 N H H 64.04 7.29 23.55 31.20 91.87 49.53 -65.09 -41.29 1.23 0.00 98.76 0.14 0.08 0.88 98.71 0.19 0.00 0.00 0.00 68 C H H 14.75 19.42 18.19 37.51 91.94 50.69 -64.47 -42.32 0.65 0.00 99.35 0.08 0.04 0.41 99.37 0.09 0.00 0.00 0.00 69 F H H 89.59 8.77 23.54 32.39 91.71 50.08 -64.40 -42.17 0.15 0.00 99.85 0.02 0.00 0.09 99.85 0.03 0.00 0.00 0.00 70 I H H 92.21 2.98 26.09 28.21 91.55 48.76 -63.76 -42.99 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 71 A H H 18.47 13.82 20.77 35.28 91.58 49.62 -63.86 -42.48 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 72 A H H 19.56 15.54 19.93 35.85 91.29 51.21 -63.18 -42.04 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 73 G H H 35.31 3.87 24.36 27.88 91.38 50.15 -63.50 -41.93 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 74 L H H 73.00 6.06 23.18 29.69 91.51 49.81 -64.40 -41.98 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 75 Y H H 50.37 16.63 18.75 34.99 91.77 50.95 -63.76 -41.96 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 76 L H H 76.97 7.29 22.04 29.57 91.70 49.73 -63.89 -41.92 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.02 0.00 0.00 0.00 77 L H H 90.65 3.07 23.24 25.64 91.74 49.31 -64.38 -42.41 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 78 L H H 47.16 12.18 19.44 32.07 91.82 49.36 -64.46 -41.91 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 79 G H H 22.99 11.67 19.30 31.40 91.76 50.96 -62.90 -42.00 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 80 G H H 37.50 2.98 22.66 24.74 91.52 49.64 -64.15 -41.98 0.21 0.00 99.79 0.01 0.00 0.15 99.80 0.03 0.00 0.00 0.00 81 F H H 96.34 5.02 21.41 26.79 91.94 49.14 -65.02 -42.08 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.03 0.00 0.00 0.00 82 S H H 22.76 13.68 16.90 31.41 91.86 51.23 -63.66 -42.23 0.18 0.00 99.82 0.02 0.00 0.11 99.84 0.03 0.00 0.00 0.00 83 F H H 102.28 4.68 21.28 26.04 91.71 50.08 -63.87 -41.85 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 84 C H H 67.15 2.68 20.83 22.75 91.64 49.87 -64.23 -41.98 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 85 Q H H 58.21 8.90 17.09 27.38 92.05 50.78 -65.12 -40.97 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 86 V H H 56.57 7.87 17.01 26.14 91.80 50.81 -63.85 -41.70 0.26 0.00 99.73 0.03 0.01 0.16 99.73 0.07 0.00 0.00 0.00 87 R H H 127.16 2.17 18.93 20.32 91.82 50.05 -64.27 -41.35 0.52 0.00 99.48 0.05 0.03 0.35 99.44 0.14 0.00 0.00 0.00 88 L H H 77.50 3.58 16.75 21.08 91.69 49.74 -64.66 -40.97 1.40 0.00 98.60 0.15 0.09 0.97 98.49 0.30 0.00 0.00 0.00 89 N H H 58.13 6.48 13.99 22.36 92.02 50.86 -64.82 -39.59 5.12 0.01 94.87 0.79 0.45 3.45 94.58 0.72 0.00 0.00 0.01 90 K H H 113.07 2.80 15.35 18.65 92.06 51.48 -65.70 -38.88 11.23 0.03 88.73 1.90 1.15 7.67 87.55 1.69 0.01 0.01 0.02 91 R H H 135.43 2.18 13.84 16.46 92.78 52.09 -66.97 -37.23 15.71 0.09 84.19 4.51 2.30 9.00 80.86 3.22 0.02 0.04 0.05 92 K H H 118.64 3.22 12.36 16.76 93.97 53.64 -69.54 -34.28 21.68 0.20 78.12 7.95 3.45 10.64 71.68 6.06 0.02 0.09 0.11 93 E H H 122.11 2.63 11.25 15.03 95.08 56.31 -71.26 -27.29 34.26 0.31 65.42 11.65 4.63 18.27 58.72 6.38 0.02 0.15 0.18 94 Y C H 160.49 2.10 9.62 12.78 100.06 55.35 -85.24 -4.97 49.60 0.90 49.49 20.79 7.90 21.75 43.07 5.58 0.04 0.41 0.46 95 M C C 129.20 2.41 7.70 11.84 106.87 86.43 -85.62 87.55 69.27 4.37 26.36 43.72 11.30 13.47 23.71 3.72 0.02 2.32 1.74 96 V C C 117.11 1.88 7.10 10.65 109.71 -160.70 -90.65 108.54 87.73 2.31 9.96 78.80 1.32 7.42 8.95 1.20 0.00 1.44 0.87 97 R C C 171.94 2.12 9.66 13.47 111.25 -160.69 -94.08 117.16 99.92 0.06 0.02 99.86 0.05 0.04 0.01 0.00 0.00 0.03 0.00