# 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 104.20 5.76 11.78 19.02 111.96 -153.72 -88.22 123.60 99.91 0.04 0.05 99.87 0.05 0.03 0.03 0.00 0.00 0.02 0.01 1 Y C C 152.61 2.90 10.09 14.45 105.85 -140.40 -79.83 -0.03 66.60 2.47 30.93 61.08 1.02 4.75 29.38 1.52 0.00 1.03 1.22 2 M H H 134.29 1.62 10.14 12.39 97.44 56.92 -70.31 -33.63 45.47 1.03 53.50 27.98 6.35 10.93 51.48 2.34 0.01 0.48 0.43 3 G H H 42.29 2.98 10.90 15.09 96.68 52.06 -67.85 -36.69 27.84 0.51 71.65 16.85 4.36 7.70 68.19 2.42 0.01 0.23 0.22 4 K H H 119.28 3.70 11.61 16.72 94.87 54.80 -68.23 -37.19 11.02 0.30 88.68 6.65 1.89 3.47 85.64 2.08 0.01 0.16 0.10 5 S H H 60.10 2.96 12.95 16.77 93.21 54.37 -66.02 -40.42 6.89 0.25 92.86 4.13 1.00 2.39 90.69 1.58 0.00 0.15 0.07 6 F H H 125.74 1.82 14.61 16.19 93.00 50.53 -66.18 -39.89 2.53 0.07 97.40 1.22 0.35 1.08 96.47 0.82 0.00 0.04 0.01 7 A H H 52.74 4.00 13.37 18.84 92.52 51.47 -64.79 -41.40 1.10 0.03 98.86 0.43 0.13 0.52 98.34 0.54 0.00 0.02 0.01 8 L H H 89.19 4.59 14.02 19.55 92.45 50.88 -65.21 -40.64 1.35 0.02 98.63 0.31 0.11 0.85 98.07 0.64 0.00 0.01 0.00 9 L H H 103.97 2.03 15.66 17.54 92.35 49.78 -65.68 -41.13 2.04 0.02 97.93 0.33 0.16 1.51 97.51 0.47 0.01 0.01 0.01 10 V H H 85.45 2.13 16.18 18.02 92.45 48.24 -65.29 -42.31 1.65 0.03 98.32 0.39 0.17 1.01 98.23 0.19 0.00 0.01 0.01 11 L H H 81.94 4.09 15.73 20.83 92.10 49.18 -65.17 -41.51 1.23 0.01 98.76 0.30 0.10 0.70 98.77 0.13 0.00 0.00 0.00 12 G H H 29.65 5.24 15.05 21.55 91.93 51.13 -63.70 -41.67 1.44 0.00 98.56 0.29 0.10 0.86 98.62 0.13 0.00 0.00 0.00 13 A H H 60.32 2.38 17.02 19.23 92.09 50.25 -64.75 -41.32 0.59 0.00 99.41 0.11 0.04 0.33 99.42 0.09 0.00 0.00 0.00 14 I H H 96.31 2.46 16.99 19.39 92.12 48.81 -65.26 -41.96 0.32 0.00 99.68 0.06 0.02 0.17 99.69 0.06 0.00 0.00 0.00 15 I H H 86.10 4.61 16.05 21.45 91.81 48.91 -64.74 -42.04 0.30 0.00 99.70 0.05 0.02 0.17 99.70 0.06 0.00 0.00 0.00 16 L H H 91.08 3.59 16.75 20.88 91.91 49.56 -64.46 -41.80 0.40 0.00 99.60 0.05 0.02 0.26 99.59 0.08 0.00 0.00 0.00 17 A H H 59.48 2.29 17.62 19.49 91.88 49.91 -64.16 -41.83 0.68 0.00 99.32 0.07 0.04 0.47 99.29 0.13 0.00 0.00 0.00 18 G H H 33.90 3.29 16.71 20.63 92.01 50.61 -64.60 -40.86 1.51 0.00 98.49 0.15 0.09 1.08 98.39 0.27 0.00 0.00 0.00 19 G H H 26.57 6.24 14.54 22.46 92.26 51.64 -64.71 -40.47 3.24 0.01 96.75 0.34 0.19 2.47 96.42 0.56 0.01 0.00 0.00 20 V H H 80.89 3.46 15.97 20.15 92.18 50.43 -64.93 -41.32 3.19 0.02 96.79 0.30 0.24 2.54 96.15 0.74 0.01 0.01 0.00 21 W H H 151.89 1.97 16.03 17.69 92.42 49.79 -65.71 -41.25 3.38 0.04 96.58 0.49 0.33 2.54 95.06 1.52 0.03 0.02 0.01 22 Y H H 122.54 3.50 14.26 18.70 93.07 49.01 -66.95 -38.98 6.10 0.06 93.83 0.86 0.57 4.68 91.04 2.73 0.05 0.03 0.02 23 T H H 68.10 5.50 12.33 19.21 93.56 50.06 -69.77 -35.69 10.28 0.13 89.60 1.51 1.21 7.72 85.82 3.54 0.08 0.07 0.06 24 I H H 103.86 3.25 12.59 16.92 95.45 55.14 -71.62 -29.71 21.07 0.34 78.60 3.62 3.41 14.82 73.27 4.35 0.18 0.17 0.19 25 E H H 140.01 1.75 13.06 15.20 96.78 55.04 -77.44 -21.74 34.95 0.57 64.47 6.90 5.78 23.24 58.86 4.43 0.17 0.26 0.35 26 V C H 95.59 3.45 11.35 16.04 102.17 47.53 -91.57 -7.52 56.98 0.88 42.15 9.00 12.44 35.63 37.31 4.55 0.12 0.34 0.59 27 G C T 42.96 3.89 13.36 18.55 115.85 -97.14 93.68 0.30 78.19 0.87 20.94 26.85 14.95 36.87 16.45 4.00 0.01 0.34 0.53 28 Y C C 142.23 5.13 11.80 18.39 106.27 -44.55 -84.29 97.73 72.15 1.18 26.66 49.42 10.80 10.75 24.01 3.88 0.00 0.50 0.64 29 S H H 54.68 4.75 12.91 19.16 118.65 141.38 -99.12 160.22 39.67 1.02 59.31 26.25 9.04 5.37 56.23 2.29 0.01 0.37 0.44 30 V H H 104.40 2.74 13.86 17.47 93.99 -96.97 -64.29 -35.85 8.34 0.11 91.55 2.44 1.33 4.75 88.04 3.31 0.03 0.05 0.05 31 M H H 110.50 3.08 14.99 18.94 92.58 52.68 -66.01 -38.84 5.16 0.06 94.77 1.25 0.59 3.20 91.13 3.75 0.01 0.04 0.02 32 A H H 38.39 7.48 13.34 22.58 92.31 51.82 -64.80 -40.72 3.93 0.05 96.02 1.21 0.46 2.18 93.87 2.22 0.01 0.03 0.02 33 I H H 88.33 4.03 17.11 21.81 92.06 49.84 -64.71 -41.92 1.03 0.01 98.96 0.36 0.11 0.47 98.80 0.25 0.00 0.00 0.00 34 V H H 76.21 3.26 18.51 21.87 91.77 49.32 -63.99 -42.29 0.39 0.00 99.61 0.12 0.03 0.19 99.58 0.08 0.00 0.00 0.00 35 A H H 39.98 6.50 16.32 24.40 91.59 50.43 -63.66 -41.48 0.26 0.00 99.73 0.06 0.02 0.14 99.73 0.05 0.00 0.00 0.00 36 A H H 47.09 6.27 17.20 24.65 91.90 50.94 -64.21 -41.12 0.20 0.00 99.80 0.03 0.01 0.12 99.79 0.04 0.00 0.00 0.00 37 L H H 90.71 3.27 19.09 22.32 91.82 49.60 -64.69 -41.74 0.28 0.00 99.72 0.04 0.02 0.18 99.71 0.06 0.00 0.00 0.00 38 I H H 84.74 4.35 17.99 22.97 92.09 48.56 -65.23 -42.02 0.71 0.00 99.29 0.08 0.04 0.48 99.27 0.11 0.00 0.00 0.00 39 M H H 87.60 6.28 17.17 24.34 91.83 49.74 -64.45 -41.44 3.02 0.02 96.96 0.34 0.22 2.23 96.87 0.32 0.01 0.01 0.01 40 A H H 58.50 4.02 17.76 22.39 92.33 49.79 -64.90 -40.36 9.90 0.03 90.06 0.99 0.78 7.71 89.81 0.66 0.02 0.01 0.02 41 A H H 61.10 3.07 18.51 21.45 92.47 48.79 -65.60 -40.33 18.18 0.12 81.70 2.88 2.46 12.70 80.61 1.19 0.04 0.04 0.08 42 G H H 31.20 5.11 17.30 23.35 93.44 49.18 -65.37 -39.37 22.64 0.18 77.18 5.81 3.15 13.51 75.80 1.52 0.02 0.06 0.12 43 G H H 30.41 5.62 16.59 23.47 92.80 52.82 -64.25 -41.45 15.40 0.12 84.48 4.25 2.25 8.74 83.09 1.54 0.01 0.05 0.07 44 G H H 35.20 4.55 16.85 22.40 92.58 51.39 -64.66 -40.71 8.71 0.11 91.18 2.97 1.28 4.46 90.08 1.10 0.01 0.05 0.05 45 I H H 99.81 3.04 18.11 20.84 92.51 49.18 -65.94 -41.24 3.04 0.09 96.87 1.36 0.43 1.35 96.23 0.56 0.00 0.04 0.02 46 I H H 93.90 3.27 17.39 20.84 92.28 48.99 -64.96 -42.14 1.38 0.06 98.55 0.60 0.16 0.61 98.29 0.29 0.00 0.04 0.01 47 T H H 67.13 4.43 16.39 21.71 92.23 48.61 -64.78 -42.18 0.95 0.04 99.00 0.33 0.09 0.49 98.85 0.21 0.00 0.03 0.01 48 W H H 137.06 3.41 16.97 20.94 92.08 49.59 -64.45 -41.57 0.51 0.01 99.48 0.11 0.04 0.29 99.43 0.12 0.00 0.00 0.00 49 G H H 35.77 2.97 16.94 20.07 91.77 50.61 -63.90 -41.72 0.55 0.00 99.45 0.09 0.03 0.34 99.44 0.09 0.00 0.00 0.00 50 L H H 92.57 2.91 17.27 20.22 92.17 49.03 -65.30 -41.05 0.43 0.00 99.57 0.06 0.03 0.27 99.56 0.08 0.00 0.00 0.00 51 A H H 47.51 4.86 14.70 21.06 92.31 51.04 -64.14 -41.34 0.57 0.00 99.43 0.09 0.04 0.35 99.43 0.10 0.00 0.00 0.00 52 V H H 81.95 2.93 16.17 19.47 92.01 49.65 -64.84 -41.35 0.95 0.00 99.05 0.12 0.06 0.63 99.02 0.16 0.00 0.00 0.00 53 A H H 62.38 2.13 16.13 17.76 91.93 49.98 -64.49 -40.88 1.49 0.00 98.50 0.18 0.10 1.03 98.34 0.35 0.00 0.00 0.00 54 A H H 55.51 3.93 13.69 18.77 92.14 51.26 -65.56 -38.06 4.25 0.01 95.74 0.53 0.36 3.04 95.04 1.01 0.00 0.00 0.01 55 D H H 79.03 5.24 12.04 18.86 93.51 53.23 -69.49 -30.92 11.59 0.06 88.35 2.05 1.11 8.04 86.70 2.02 0.01 0.03 0.03 56 V H H 106.51 1.86 13.59 15.71 95.07 53.07 -74.09 -33.26 19.55 0.12 80.32 2.77 2.47 14.45 78.13 2.01 0.05 0.05 0.08 57 N H H 116.81 1.80 13.19 15.09 101.47 40.89 -96.54 0.31 35.15 0.37 64.48 6.85 9.07 20.93 61.01 1.67 0.08 0.10 0.29 58 S C C 46.90 7.26 8.21 17.28 112.02 103.36 -87.54 120.57 98.62 0.36 1.02 79.81 17.87 0.90 0.75 0.25 0.00 0.13 0.28 59 P C T 97.25 2.53 11.29 15.19 95.49 -150.74 -66.31 -20.48 73.21 0.51 26.29 28.38 9.18 36.19 9.57 16.07 0.00 0.23 0.38 60 T C T 85.09 3.21 9.79 14.52 98.92 63.13 -79.29 -14.42 67.56 1.14 31.30 18.85 10.94 38.45 10.49 19.94 0.02 0.54 0.77 61 S C C 69.02 4.19 8.53 14.55 98.30 76.99 -73.66 -16.33 60.48 1.64 37.88 32.00 13.60 15.69 9.08 28.05 0.01 0.81 0.76 62 H C C 147.80 1.79 8.91 11.98 101.41 69.80 -81.32 -1.18 65.97 2.57 31.46 34.84 15.08 17.03 8.36 22.27 0.01 1.35 1.06 63 K C C 157.80 1.42 9.10 11.69 105.93 88.25 -84.83 73.77 76.61 2.81 20.58 61.85 3.71 12.47 6.99 12.12 0.00 1.69 1.17 64 I C C 113.76 4.47 9.68 15.82 108.28 56.77 -86.57 99.26 99.93 0.05 0.02 99.88 0.06 0.03 0.01 0.00 0.00 0.02 0.00