# 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 126.26 3.76 10.11 15.68 117.11 -164.76 -97.21 136.14 99.88 0.11 0.01 99.81 0.09 0.04 0.00 0.00 0.00 0.05 0.01 1 S C C 87.32 2.05 8.77 12.63 116.47 -150.55 -98.25 142.48 96.27 3.03 0.71 92.52 1.61 2.37 0.26 0.28 0.00 1.42 1.55 2 E C C 138.59 2.50 7.84 12.31 116.13 -126.45 -93.95 135.37 97.40 2.21 0.38 64.69 31.56 1.32 0.13 0.22 0.00 0.94 1.12 3 P C C 92.87 3.03 9.11 13.97 115.01 -105.94 -70.97 150.20 97.19 0.72 2.09 77.88 11.52 7.56 0.44 1.84 0.00 0.39 0.38 4 P C C 101.77 3.17 9.84 14.64 105.28 -101.05 -70.90 107.13 96.23 0.74 3.03 44.75 22.88 28.40 0.49 2.74 0.00 0.35 0.38 5 F C C 129.31 5.30 8.43 15.31 116.93 51.46 -99.95 131.59 90.01 4.27 5.73 47.94 22.94 19.17 1.59 3.87 0.00 1.66 2.82 6 R C C 131.72 4.51 10.30 16.68 116.81 -140.76 -94.35 136.94 94.34 2.04 3.62 65.89 26.61 1.80 2.83 0.84 0.00 0.77 1.24 7 P C C 77.46 3.88 11.48 17.00 110.77 -106.27 -65.74 145.03 86.69 1.01 12.29 79.27 3.58 3.83 10.71 1.67 0.00 0.45 0.49 8 R H H 146.14 4.61 10.36 16.61 94.94 -126.49 -64.97 -34.07 31.67 0.58 67.75 18.51 5.70 8.85 57.14 9.23 0.01 0.28 0.28 9 E H H 130.08 1.72 12.34 14.51 94.36 58.20 -69.36 -31.42 24.08 0.61 75.31 11.69 4.31 8.72 65.07 9.61 0.02 0.35 0.22 10 K H H 113.94 3.07 12.75 16.82 95.04 53.09 -71.66 -32.67 19.02 0.71 80.28 11.87 2.77 5.39 70.22 9.08 0.01 0.43 0.22 11 L H H 68.56 6.09 11.12 19.07 93.17 60.69 -64.44 -41.09 7.00 0.17 92.83 4.80 1.07 1.71 90.92 1.38 0.00 0.09 0.04 12 I H H 89.17 2.75 14.51 17.89 92.11 51.23 -64.37 -41.41 2.00 0.04 97.96 1.07 0.26 0.70 97.36 0.58 0.00 0.02 0.00 13 E H H 104.37 1.93 15.64 17.25 91.91 50.39 -64.44 -40.64 1.34 0.02 98.64 0.56 0.16 0.60 98.15 0.52 0.00 0.01 0.00 14 K H H 96.33 4.62 14.20 20.16 92.22 50.42 -64.98 -40.26 1.49 0.01 98.49 0.53 0.16 0.74 98.08 0.48 0.00 0.01 0.00 15 Q H H 82.54 5.19 13.51 20.14 91.93 51.68 -64.69 -40.13 1.26 0.01 98.73 0.40 0.12 0.65 98.40 0.42 0.00 0.00 0.00 16 K H H 123.62 1.69 15.40 16.69 92.06 51.46 -64.56 -40.22 1.40 0.01 98.59 0.31 0.12 0.86 97.82 0.88 0.00 0.01 0.00 17 H H H 110.79 2.15 13.82 16.38 92.25 50.54 -65.82 -40.38 2.24 0.01 97.75 0.37 0.17 1.52 96.58 1.34 0.00 0.01 0.00 18 F H H 101.29 5.40 10.99 17.93 92.96 50.19 -67.27 -37.19 4.60 0.03 95.37 0.74 0.41 3.27 93.41 2.14 0.01 0.02 0.01 19 Q H H 122.12 2.54 11.69 15.32 92.81 58.20 -70.02 -22.54 20.76 0.05 79.19 1.43 1.22 17.64 77.66 1.98 0.02 0.02 0.03 20 S C H 87.99 1.16 11.94 12.86 97.06 54.01 -87.61 -2.78 53.97 0.15 45.88 5.31 4.31 42.64 45.10 2.46 0.02 0.06 0.11 21 V C C 81.80 5.93 6.94 14.60 112.79 102.27 -83.60 130.38 82.10 0.95 16.95 56.26 15.84 8.83 15.44 2.61 0.00 0.34 0.68 22 H C C 158.02 1.45 9.78 12.19 108.73 -160.40 -97.46 89.51 86.05 1.05 12.90 66.97 10.25 8.41 9.73 3.51 0.00 0.49 0.65 23 K C C 151.07 1.87 9.62 13.00 115.70 108.83 -98.04 137.45 83.11 1.61 15.28 47.37 26.76 9.15 9.77 5.34 0.00 0.74 0.87 24 H C C 139.11 3.31 8.60 13.85 112.41 -121.55 -85.43 126.31 83.13 3.32 13.55 71.34 6.53 5.56 7.51 5.68 0.00 2.05 1.32 25 T C C 92.93 3.50 9.02 14.43 112.78 -171.21 -102.03 126.84 74.69 5.97 19.34 57.55 10.34 6.72 9.59 9.97 0.01 3.92 1.91 26 Y C C 169.78 2.27 9.79 13.45 108.80 -163.67 -91.67 95.47 67.51 11.29 21.19 42.89 14.32 11.22 9.08 11.77 0.09 7.33 3.29 27 L C C 106.87 4.65 8.53 14.94 109.45 69.34 -93.49 99.76 71.67 11.62 16.71 52.89 10.01 8.60 7.47 9.38 0.02 7.86 3.76 28 K C C 144.86 2.67 9.74 13.99 108.97 87.06 -95.50 102.82 86.73 5.83 7.45 58.11 20.53 8.16 4.10 3.42 0.00 3.46 2.23 29 G C C 38.42 3.50 10.93 15.75 127.61 47.90 -107.60 175.70 94.79 1.61 3.61 46.11 44.05 4.88 1.89 1.47 0.00 0.66 0.94 30 P C T 113.75 1.65 11.36 13.53 98.86 -55.84 -68.02 -19.66 68.65 0.64 30.71 10.67 12.52 45.32 12.83 17.83 0.03 0.32 0.49 31 Y C T 164.33 2.48 10.75 14.41 101.50 47.26 -88.50 12.58 64.18 1.08 34.74 10.97 10.64 41.67 17.00 18.33 0.07 0.54 0.78 32 D C C 64.97 6.73 10.14 18.64 105.31 111.01 -80.65 91.80 57.39 2.63 39.98 35.00 11.74 10.80 24.06 15.83 0.02 1.27 1.29 33 K H H 122.91 4.07 13.12 18.41 96.21 81.83 -68.91 -32.40 37.27 1.59 61.14 22.44 8.78 8.55 54.21 4.61 0.04 0.76 0.61 34 I H H 103.32 2.86 14.41 17.87 92.86 57.58 -65.81 -40.21 16.14 0.63 83.23 7.15 3.54 6.72 76.50 5.44 0.07 0.36 0.21 35 T H H 69.41 4.14 14.34 19.72 92.94 50.30 -66.77 -39.07 11.11 0.41 88.48 3.84 1.71 5.83 79.66 8.50 0.05 0.29 0.11 36 S H H 52.59 5.76 14.03 21.22 93.31 50.41 -67.03 -37.57 13.19 0.29 86.51 2.68 1.67 8.89 77.41 8.98 0.08 0.19 0.10 37 V H H 82.03 3.66 15.76 20.04 93.49 46.40 -70.06 -38.84 24.78 0.35 74.87 2.66 3.27 19.44 68.06 5.98 0.23 0.15 0.20 38 A H H 54.31 3.52 15.79 20.05 92.65 51.69 -65.90 -40.76 8.04 0.07 91.89 1.80 1.42 4.74 91.22 0.74 0.02 0.02 0.03 39 I H H 84.58 3.99 15.83 20.82 92.48 50.88 -64.82 -42.16 1.76 0.01 98.24 0.52 0.18 0.84 98.18 0.28 0.00 0.00 0.00 40 P H H 66.63 4.57 15.83 21.41 92.01 50.26 -64.17 -40.80 0.80 0.00 99.20 0.21 0.05 0.42 99.08 0.24 0.00 0.00 0.00 41 L H H 95.60 2.58 17.37 19.80 92.03 49.86 -65.06 -41.12 0.17 0.00 99.82 0.03 0.01 0.09 99.77 0.10 0.00 0.00 0.00 42 A H H 54.75 3.32 16.52 20.49 92.00 50.05 -64.23 -41.85 0.13 0.00 99.87 0.02 0.01 0.07 99.86 0.04 0.00 0.00 0.00 43 L H H 87.97 3.90 16.72 21.29 92.02 49.24 -65.09 -41.15 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 44 A H H 56.52 3.40 16.93 20.64 91.86 50.28 -63.87 -41.96 0.14 0.00 99.86 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 45 A H H 58.93 2.48 17.84 19.95 91.91 49.93 -64.59 -41.59 0.26 0.00 99.74 0.02 0.01 0.18 99.72 0.07 0.00 0.00 0.00 46 S H H 55.07 3.18 16.82 20.47 92.02 49.59 -64.97 -41.11 0.70 0.00 99.30 0.06 0.03 0.55 99.21 0.15 0.00 0.00 0.00 47 S H H 52.29 4.28 15.83 21.02 92.24 50.86 -64.26 -41.06 1.18 0.00 98.82 0.09 0.07 0.95 98.55 0.33 0.00 0.00 0.00 48 L H H 95.81 2.48 17.00 19.30 92.08 50.44 -64.73 -41.41 1.11 0.00 98.88 0.07 0.06 0.92 98.26 0.67 0.00 0.00 0.00 49 Y H H 132.24 2.46 16.46 19.03 92.24 49.78 -65.02 -41.26 1.49 0.01 98.50 0.08 0.08 1.29 97.56 0.98 0.00 0.00 0.00 50 L H H 89.34 3.88 15.81 20.52 92.56 49.38 -65.79 -40.76 3.06 0.01 96.93 0.15 0.16 2.72 95.73 1.23 0.01 0.01 0.00 51 I H H 99.57 2.92 16.59 19.62 92.43 48.70 -66.07 -39.94 11.28 0.04 88.68 0.47 0.67 10.44 87.03 1.31 0.04 0.02 0.02 52 G H H 36.68 3.30 16.18 19.95 92.94 49.07 -66.90 -38.68 18.29 0.06 81.65 1.28 1.41 15.42 80.37 1.42 0.03 0.02 0.04 53 R H H 117.80 4.20 16.23 21.38 92.59 54.26 -64.45 -41.06 7.07 0.03 92.91 0.62 0.66 5.66 91.62 1.40 0.02 0.01 0.01 54 G H H 32.49 4.76 15.76 21.75 92.13 51.58 -63.93 -41.45 4.38 0.01 95.60 0.43 0.33 3.52 94.25 1.44 0.01 0.01 0.01 55 I H H 93.90 2.38 17.18 19.20 91.92 49.60 -64.36 -42.24 1.94 0.01 98.05 0.28 0.18 1.38 96.83 1.31 0.00 0.01 0.00 56 Y H H 114.77 3.20 16.26 19.90 91.92 49.60 -64.24 -42.15 1.77 0.02 98.21 0.26 0.20 1.28 97.19 1.04 0.01 0.01 0.01 57 N H H 61.12 5.19 13.51 20.58 92.16 49.55 -64.73 -40.78 2.87 0.03 97.09 0.55 0.36 1.95 95.39 1.71 0.01 0.02 0.01 58 M H H 104.00 3.29 13.25 17.67 92.29 50.07 -65.36 -39.49 3.15 0.02 96.82 0.32 0.26 2.45 93.50 3.42 0.02 0.01 0.01 59 S H H 80.29 1.99 13.29 15.72 91.87 52.51 -67.68 -29.78 9.72 0.04 90.24 0.43 0.56 8.83 87.07 3.03 0.05 0.02 0.02 60 H C T 128.77 2.21 12.57 15.43 94.70 46.40 -93.55 -1.52 64.03 0.13 35.84 0.90 2.61 59.84 33.32 3.13 0.04 0.05 0.13 61 G C T 54.48 2.30 12.06 15.61 96.95 -109.91 78.34 13.98 98.86 0.10 1.04 5.15 4.95 89.00 0.52 0.28 0.00 0.06 0.04 62 I C C 98.18 4.22 10.46 16.48 108.67 131.74 -96.30 73.78 94.88 2.28 2.84 67.16 20.98 6.33 1.22 1.63 0.00 0.97 1.70 63 G C C 40.99 5.70 10.63 17.88 120.77 47.07 90.71 152.90 92.33 2.37 5.31 53.52 23.76 14.81 1.02 4.59 0.00 1.21 1.08 64 K C C 141.94 3.25 10.16 15.18 110.08 -79.45 -87.55 131.45 89.27 3.26 7.48 51.49 24.33 13.24 1.28 6.60 0.00 1.80 1.26 65 K C C 150.17 2.52 8.95 13.38 110.91 -132.34 -90.57 128.22 90.98 3.50 5.52 79.58 3.50 8.33 1.25 3.79 0.00 2.18 1.37 66 E C C 143.11 2.55 10.41 14.71 109.93 -126.59 -84.50 122.70 99.90 0.08 0.02 99.79 0.09 0.06 0.01 0.00 0.00 0.04 0.01