# 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 109.24 6.59 15.26 22.88 115.83 -156.06 -93.82 136.52 99.95 0.04 0.01 99.90 0.05 0.03 0.00 0.00 0.00 0.02 0.00 1 A C C 65.67 7.68 13.48 22.42 117.23 -127.01 -84.09 141.76 96.30 2.34 1.36 93.48 1.34 1.80 0.87 0.29 0.00 1.01 1.22 2 L C C 39.06 16.41 9.44 25.42 117.19 -117.36 -86.71 137.61 97.09 1.59 1.32 79.73 16.05 1.24 1.04 0.28 0.00 0.59 1.07 3 S C C 54.79 2.91 18.15 20.86 120.46 -123.99 -78.15 162.01 98.31 0.61 1.08 95.98 2.10 0.36 0.94 0.10 0.00 0.19 0.33 4 V H H 90.89 7.19 12.23 20.99 91.80 -110.21 -58.65 -38.30 2.38 0.01 97.61 0.70 0.46 0.99 97.57 0.28 0.00 0.00 0.00 5 E H H 136.27 1.22 16.85 17.06 91.90 52.73 -64.38 -40.59 1.07 0.00 98.93 0.21 0.12 0.59 98.81 0.28 0.00 0.00 0.00 6 E H H 81.86 6.74 16.28 24.31 92.10 47.92 -66.02 -39.95 0.46 0.00 99.53 0.12 0.05 0.23 99.35 0.26 0.00 0.00 0.00 7 K H H 47.96 16.92 14.12 30.66 91.63 51.63 -63.15 -41.91 0.22 0.00 99.78 0.05 0.01 0.11 99.75 0.08 0.00 0.00 0.00 8 A H H 44.01 5.84 19.01 25.97 91.49 51.28 -63.49 -40.52 0.25 0.00 99.75 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 9 Q H H 97.66 2.28 22.71 23.48 91.75 50.30 -64.70 -41.46 0.37 0.00 99.63 0.03 0.01 0.25 99.65 0.06 0.00 0.00 0.00 10 I H H 15.09 16.02 17.14 34.21 92.01 49.70 -63.66 -43.55 0.55 0.00 99.45 0.05 0.03 0.37 99.42 0.13 0.00 0.00 0.00 11 V H H 22.62 17.69 16.12 33.87 91.64 49.48 -63.35 -41.36 0.66 0.00 99.34 0.07 0.04 0.46 98.97 0.46 0.00 0.00 0.00 12 N H H 107.84 2.30 20.73 22.72 91.69 51.05 -64.69 -38.21 2.93 0.00 97.07 0.16 0.12 2.53 93.47 3.72 0.00 0.00 0.00 13 E H H 114.38 3.63 19.94 23.74 92.36 49.05 -69.73 -33.07 10.51 0.00 89.48 0.30 0.39 10.04 85.77 3.49 0.01 0.00 0.00 14 Y H H 46.49 16.73 13.44 30.04 100.04 39.51 -101.81 -2.41 29.01 0.08 70.91 3.19 3.54 22.26 66.94 3.94 0.04 0.02 0.07 15 K C C 88.15 13.01 13.52 26.56 107.61 106.61 -70.38 119.68 86.19 0.67 13.15 55.98 7.05 23.25 9.42 3.40 0.00 0.25 0.65 16 Q C C 123.71 4.16 15.79 21.09 100.98 111.80 -89.05 -10.36 89.00 0.84 10.16 43.61 22.72 22.95 5.03 4.61 0.00 0.29 0.80 17 A C S 60.31 4.38 13.12 19.04 123.26 61.65 -101.26 160.80 92.88 1.53 5.60 40.24 47.09 5.31 2.16 2.86 0.00 0.40 1.94 18 E C T 155.32 1.79 13.93 16.65 107.97 -88.42 -65.01 134.62 97.03 0.24 2.73 1.62 8.55 86.98 0.37 2.19 0.00 0.13 0.15 19 G C T 58.10 2.15 15.57 18.16 96.42 20.86 82.08 -0.22 98.73 0.17 1.10 3.83 6.97 87.79 0.12 1.12 0.00 0.11 0.07 20 D C C 40.17 15.04 10.10 25.28 104.33 131.59 -80.24 97.25 97.63 1.98 0.39 92.77 3.99 0.64 0.11 0.23 0.00 0.58 1.68 21 T C C 81.34 6.53 18.37 25.82 99.60 162.11 -99.48 -0.62 99.02 0.57 0.41 56.37 9.40 33.27 0.11 0.25 0.00 0.29 0.32 22 G C T 33.35 11.84 17.77 29.41 97.95 -75.05 70.87 3.40 99.11 0.51 0.39 22.13 38.18 38.85 0.09 0.28 0.00 0.22 0.24 23 S C C 37.94 8.64 20.47 30.32 117.10 132.26 -76.49 143.21 99.53 0.22 0.25 86.70 12.61 0.12 0.24 0.03 0.00 0.04 0.26 24 P H H 41.36 17.00 17.33 34.13 92.11 -127.80 -59.89 -36.67 1.41 0.00 98.59 0.16 0.17 0.86 98.66 0.14 0.00 0.00 0.00 25 E H H 93.09 10.40 22.23 32.55 91.78 55.22 -63.59 -40.58 0.43 0.00 99.57 0.04 0.02 0.29 99.54 0.11 0.00 0.00 0.00 26 V H H 32.46 12.69 21.98 35.14 92.17 49.08 -65.90 -41.83 0.07 0.00 99.93 0.01 0.00 0.04 99.89 0.06 0.00 0.00 0.00 27 Q H H 37.78 17.42 22.98 39.35 91.76 50.63 -63.92 -42.93 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 28 V H H 16.16 19.72 22.72 41.82 91.44 49.57 -63.62 -43.24 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 29 A H H 31.56 10.88 25.59 36.97 91.58 50.50 -64.02 -42.08 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 30 L H H 43.72 13.13 25.32 38.43 91.62 49.52 -64.25 -42.54 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 31 L H H 16.01 20.89 22.89 42.99 91.88 49.51 -64.53 -42.43 0.10 0.00 99.90 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 32 S H H 26.55 14.49 23.41 37.62 91.77 50.84 -64.07 -41.74 0.18 0.00 99.82 0.01 0.00 0.10 99.86 0.01 0.00 0.00 0.00 33 A H H 37.85 6.76 24.83 32.35 91.59 50.47 -63.90 -42.06 0.16 0.00 99.84 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 34 N H H 39.14 13.07 22.92 36.01 91.81 49.62 -64.51 -41.86 0.32 0.00 99.68 0.02 0.01 0.20 99.73 0.03 0.00 0.00 0.00 35 I H H 14.42 20.57 18.91 39.28 91.79 50.39 -63.61 -42.26 0.28 0.00 99.72 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 36 N H H 78.36 6.20 23.55 29.96 91.38 51.05 -63.84 -40.76 0.45 0.00 99.55 0.02 0.01 0.34 99.56 0.07 0.00 0.00 0.00 37 K H H 103.93 4.09 23.64 27.59 91.73 49.85 -65.41 -40.67 1.62 0.00 98.38 0.04 0.04 1.38 98.40 0.14 0.00 0.00 0.00 38 L H H 17.09 17.90 17.27 35.44 92.19 50.36 -65.53 -40.49 0.92 0.00 99.08 0.05 0.04 0.69 99.07 0.14 0.00 0.00 0.00 39 Q H H 58.54 12.52 18.34 31.12 91.50 53.22 -62.66 -41.90 0.36 0.00 99.64 0.04 0.02 0.23 99.60 0.12 0.00 0.00 0.00 40 D H H 84.28 1.77 22.55 22.18 91.71 50.38 -64.14 -41.04 0.62 0.00 99.38 0.05 0.03 0.44 99.23 0.24 0.00 0.00 0.00 41 H H H 58.29 7.58 17.36 26.59 91.91 49.75 -65.00 -41.24 0.69 0.00 99.31 0.06 0.04 0.52 98.96 0.42 0.00 0.00 0.00 42 F H H 34.24 15.65 11.89 27.94 91.95 50.73 -65.08 -40.25 0.97 0.00 99.03 0.10 0.09 0.72 98.48 0.61 0.00 0.00 0.00 43 K H H 146.19 1.88 16.35 18.54 92.06 50.30 -65.19 -37.54 3.93 0.00 96.07 0.19 0.24 3.44 95.43 0.70 0.00 0.00 0.00 44 A H H 85.39 1.07 15.39 15.30 93.85 48.27 -72.64 -32.66 11.51 0.01 88.48 0.30 0.87 10.26 87.96 0.59 0.01 0.00 0.00 45 N C T 79.85 5.99 11.06 18.58 103.63 28.38 -110.62 9.57 68.16 0.19 31.66 21.86 12.35 32.65 31.34 1.57 0.01 0.04 0.19 46 G C T 51.05 4.13 12.78 18.52 98.97 -140.57 61.42 -3.08 98.45 0.10 1.45 15.02 9.31 74.19 0.36 1.00 0.00 0.05 0.06 47 K C T 142.56 3.58 13.80 18.43 106.31 43.27 -88.69 63.13 98.46 0.12 1.43 13.12 16.40 68.93 0.30 1.12 0.00 0.06 0.07 48 D C C 60.74 7.88 11.38 21.05 108.60 123.64 -94.15 110.86 97.98 0.18 1.84 93.63 3.85 0.78 1.08 0.41 0.00 0.05 0.19 49 H H H 125.83 3.62 14.39 19.59 94.25 -166.91 -66.42 -34.20 13.15 0.04 86.81 3.91 2.59 6.66 83.39 3.40 0.01 0.01 0.02 50 H H H 124.02 2.20 17.50 19.41 92.13 54.32 -65.13 -39.90 7.26 0.02 92.72 0.96 0.77 5.13 88.75 4.35 0.01 0.01 0.01 51 S H H 24.16 11.68 14.09 27.22 92.09 49.86 -65.50 -40.26 3.86 0.01 96.12 0.83 0.42 2.29 92.00 4.44 0.00 0.01 0.00 52 R H H 92.00 11.23 16.88 28.38 91.70 52.05 -63.78 -40.73 2.39 0.01 97.60 0.70 0.30 1.20 96.18 1.61 0.00 0.00 0.00 53 R H H 130.96 2.33 22.34 23.56 91.58 50.76 -64.15 -41.65 0.83 0.00 99.17 0.14 0.07 0.44 99.13 0.21 0.00 0.00 0.00 54 G H H 21.51 7.39 19.60 28.36 91.69 50.97 -63.26 -41.91 0.62 0.00 99.38 0.08 0.04 0.36 99.39 0.14 0.00 0.00 0.00 55 L H H 23.54 17.95 16.74 34.67 92.04 50.49 -64.41 -41.93 0.31 0.00 99.69 0.04 0.02 0.17 99.69 0.09 0.00 0.00 0.00 56 I H H 80.55 6.61 21.78 28.72 91.53 50.19 -64.05 -41.67 0.15 0.00 99.85 0.02 0.01 0.08 99.84 0.05 0.00 0.00 0.00 57 R H H 132.36 2.49 23.43 24.69 91.66 49.74 -64.55 -41.71 0.18 0.00 99.82 0.01 0.01 0.11 99.82 0.04 0.00 0.00 0.00 58 M H H 33.39 14.37 18.92 33.75 91.84 49.50 -64.81 -42.06 0.29 0.00 99.71 0.02 0.01 0.19 99.72 0.06 0.00 0.00 0.00 59 V H H 26.03 15.58 18.59 34.50 91.55 50.13 -63.66 -42.52 0.25 0.00 99.75 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 60 N H H 79.64 2.86 23.38 25.22 91.25 50.08 -63.96 -41.24 0.39 0.00 99.61 0.04 0.02 0.24 99.64 0.05 0.00 0.00 0.00 61 Q H H 70.97 6.50 21.80 28.89 91.71 50.00 -64.67 -41.49 0.50 0.00 99.50 0.05 0.02 0.34 99.54 0.06 0.00 0.00 0.00 62 R H H 32.58 19.42 17.19 36.07 91.69 51.08 -63.69 -41.62 0.29 0.00 99.70 0.03 0.01 0.18 99.72 0.04 0.00 0.00 0.00 63 R H H 110.25 8.60 21.25 30.19 91.42 51.58 -63.11 -41.24 0.17 0.00 99.83 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 64 K H H 117.96 2.02 24.27 24.61 91.58 50.08 -64.09 -41.82 0.23 0.00 99.77 0.02 0.01 0.16 99.75 0.07 0.00 0.00 0.00 65 L H H 24.18 14.94 19.62 35.11 91.84 49.65 -64.26 -42.53 0.30 0.00 99.70 0.02 0.01 0.21 99.62 0.14 0.00 0.00 0.00 66 L H H 16.60 19.26 16.98 36.34 91.51 50.84 -63.26 -41.60 0.54 0.00 99.46 0.04 0.03 0.38 99.16 0.40 0.00 0.00 0.00 67 D H H 83.09 2.79 23.22 25.11 91.50 51.07 -63.82 -40.34 2.51 0.00 97.49 0.13 0.11 2.12 96.23 1.41 0.00 0.00 0.00 68 Y H H 99.08 5.21 20.63 26.40 91.76 50.43 -64.94 -40.57 5.79 0.00 94.21 0.27 0.32 5.06 92.28 2.07 0.00 0.00 0.00 69 L H H 13.21 19.02 12.87 32.20 92.76 49.49 -71.38 -33.61 12.60 0.05 87.35 1.76 1.50 9.05 84.16 3.45 0.03 0.02 0.03 70 K H H 104.66 10.68 14.75 25.82 94.84 73.53 -64.08 -29.24 31.19 0.11 68.70 2.76 2.10 25.79 64.51 4.68 0.03 0.04 0.08 71 G C T 61.77 0.98 16.92 16.58 95.50 42.61 -69.38 -17.57 52.09 0.10 47.81 2.43 3.99 44.89 44.40 4.16 0.03 0.03 0.08 72 K C T 124.99 4.13 14.06 19.43 103.38 45.54 -93.98 -27.17 70.98 0.22 28.80 5.86 25.76 38.70 25.87 3.49 0.02 0.06 0.24 73 D C C 69.89 6.86 14.53 22.67 114.18 3.29 -135.88 94.33 95.16 0.31 4.52 82.57 5.21 7.23 3.81 0.77 0.00 0.10 0.32 74 V H H 72.41 10.72 11.76 23.50 94.01 -160.64 -63.47 -36.28 2.80 0.00 97.19 0.83 0.35 1.27 97.13 0.41 0.00 0.00 0.00 75 S H H 84.26 1.11 19.10 18.52 91.78 54.91 -63.81 -40.74 1.16 0.00 98.83 0.11 0.09 0.83 98.60 0.37 0.00 0.00 0.00 76 R H H 102.64 6.05 18.42 25.34 92.00 48.30 -65.77 -40.74 0.40 0.00 99.60 0.05 0.03 0.25 99.36 0.32 0.00 0.00 0.00 77 Y H H 14.52 21.42 13.22 34.57 91.65 50.67 -63.36 -43.33 0.15 0.00 99.85 0.02 0.01 0.08 99.79 0.10 0.00 0.00 0.00 78 T H H 64.57 6.82 20.54 27.99 91.42 50.53 -63.12 -41.49 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 79 A H H 58.21 2.20 22.76 23.34 91.69 50.52 -63.79 -42.20 0.23 0.00 99.77 0.01 0.01 0.16 99.77 0.05 0.00 0.00 0.00 80 L H H 15.92 16.36 17.74 34.92 91.89 49.35 -64.39 -43.28 0.34 0.00 99.66 0.03 0.02 0.22 99.65 0.09 0.00 0.00 0.00 81 I H H 16.57 19.04 15.24 34.49 91.71 49.64 -63.20 -42.70 0.60 0.00 99.40 0.07 0.04 0.39 99.25 0.25 0.00 0.00 0.00 82 G H H 47.62 2.30 19.42 21.41 91.80 50.99 -63.90 -40.52 1.86 0.00 98.13 0.14 0.08 1.46 97.45 0.86 0.00 0.00 0.00 83 R H H 145.18 3.28 18.12 22.10 91.78 51.53 -66.48 -33.56 6.77 0.01 93.22 0.21 0.26 6.32 92.20 0.99 0.01 0.00 0.00 84 L H H 32.04 17.15 12.56 29.74 94.00 48.83 -86.28 -5.75 46.81 0.05 53.14 0.82 2.09 43.25 52.13 1.62 0.02 0.02 0.05 85 G C T 49.65 2.76 20.81 23.30 96.94 -114.79 75.92 20.50 97.78 0.06 2.16 7.15 3.28 87.57 1.57 0.37 0.00 0.03 0.03 86 L C C 37.57 18.22 8.97 26.01 110.72 142.79 -90.52 118.20 95.02 1.08 3.89 81.58 7.24 6.45 2.05 1.55 0.00 0.55 0.59 87 R C C 150.84 3.64 14.97 20.14 117.00 -159.49 -102.08 140.34 93.83 3.23 2.94 88.06 1.77 4.52 1.50 0.92 0.00 1.62 1.62 88 R C C 152.41 5.95 13.93 21.60 109.90 -113.98 -76.35 129.53 99.95 0.04 0.01 99.92 0.04 0.01 0.00 0.00 0.00 0.02 0.00