# 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 P C C 78.52 4.79 13.73 19.77 110.03 -107.50 -70.99 145.34 99.82 0.03 0.15 99.70 0.08 0.11 0.09 0.00 0.00 0.01 0.01 1 I C C 114.63 3.73 10.63 15.81 97.13 -127.18 -70.11 -29.36 64.42 0.68 34.90 52.30 2.06 8.47 34.88 1.63 0.00 0.24 0.43 2 S H H 74.53 1.99 11.54 14.15 96.49 60.36 -68.62 -36.41 34.30 0.45 65.25 22.06 5.55 6.88 63.10 2.01 0.00 0.16 0.23 3 A H H 64.39 2.98 11.83 16.01 94.63 54.18 -66.39 -38.27 9.43 0.12 90.45 4.95 1.52 3.15 88.12 2.16 0.00 0.06 0.04 4 T H H 76.04 4.20 12.29 17.80 93.86 51.45 -67.34 -38.85 5.89 0.12 93.98 3.01 0.80 2.26 91.91 1.91 0.01 0.08 0.03 5 M H H 107.48 2.86 14.46 17.88 93.28 50.99 -66.04 -40.60 2.89 0.06 97.05 1.20 0.41 1.30 95.91 1.14 0.00 0.03 0.01 6 V H H 88.04 2.12 16.06 17.94 92.64 50.11 -65.11 -41.83 1.34 0.02 98.65 0.41 0.16 0.66 98.36 0.40 0.00 0.01 0.00 7 G H H 32.88 4.30 15.02 20.57 92.46 50.21 -64.20 -42.03 1.35 0.01 98.65 0.28 0.12 0.78 98.43 0.38 0.00 0.00 0.00 8 A H H 49.79 5.31 15.11 21.63 92.28 50.70 -64.74 -41.12 1.60 0.01 98.39 0.22 0.11 1.07 98.16 0.43 0.00 0.00 0.00 9 L H H 95.93 2.69 17.51 20.12 92.20 50.05 -64.97 -41.28 1.66 0.01 98.34 0.21 0.13 1.10 98.22 0.34 0.00 0.00 0.00 10 L H H 98.69 2.12 18.11 19.53 92.14 49.38 -64.85 -41.63 2.45 0.01 97.55 0.28 0.17 1.71 97.55 0.27 0.00 0.00 0.00 11 G H H 29.59 5.46 15.73 22.62 92.42 50.59 -63.66 -42.14 3.94 0.01 96.05 0.37 0.24 2.98 96.13 0.27 0.00 0.00 0.00 12 L H H 81.95 4.86 16.91 22.41 92.25 49.38 -64.74 -41.44 1.21 0.00 98.79 0.18 0.10 0.72 98.78 0.22 0.00 0.00 0.00 13 G H H 37.61 2.84 17.86 20.73 92.10 50.53 -63.65 -42.01 0.93 0.00 99.07 0.15 0.07 0.52 99.11 0.16 0.00 0.00 0.00 14 T H H 70.90 2.93 17.45 20.45 92.24 49.57 -65.23 -41.22 0.93 0.00 99.07 0.15 0.07 0.53 99.10 0.15 0.00 0.00 0.00 15 Q H H 88.56 5.40 16.38 22.76 92.28 50.72 -65.00 -40.92 0.98 0.00 99.02 0.14 0.07 0.61 99.03 0.14 0.00 0.00 0.00 16 M H H 93.75 4.29 16.56 21.57 92.19 50.03 -64.64 -41.35 1.12 0.00 98.88 0.17 0.08 0.69 98.86 0.19 0.00 0.00 0.00 17 Y H H 133.32 2.00 17.87 19.12 92.49 49.53 -65.22 -41.23 1.45 0.01 98.55 0.25 0.12 0.89 98.44 0.29 0.00 0.00 0.00 18 S H H 49.11 3.72 15.50 20.27 92.41 50.49 -65.15 -41.35 2.30 0.01 97.69 0.38 0.20 1.52 97.39 0.50 0.00 0.00 0.00 19 N H H 59.60 5.55 13.28 20.69 92.70 50.40 -64.94 -39.66 4.48 0.02 95.51 0.61 0.40 3.24 94.46 1.26 0.01 0.01 0.01 20 A H H 59.52 3.35 13.58 18.09 92.32 51.65 -64.94 -39.13 7.24 0.02 92.74 0.67 0.54 5.75 90.30 2.68 0.02 0.01 0.01 21 L H H 117.00 1.74 13.17 15.09 92.63 51.50 -68.53 -32.50 15.11 0.05 84.83 1.13 1.19 12.62 80.35 4.61 0.04 0.02 0.03 22 R C T 150.87 2.53 11.76 15.40 96.62 54.57 -81.20 -9.23 54.90 0.10 45.00 2.12 3.04 48.73 42.06 3.91 0.02 0.03 0.08 23 K C T 156.40 1.96 12.93 15.84 98.48 -116.10 52.39 33.81 78.71 0.10 21.19 6.66 4.91 66.63 18.34 3.33 0.00 0.04 0.09 24 L C C 74.81 6.87 8.80 17.68 115.38 160.12 -88.69 134.49 90.95 0.27 8.78 64.94 23.06 3.35 5.31 2.94 0.00 0.07 0.33 25 P C C 86.53 3.22 12.22 16.78 107.05 -119.54 -65.29 137.60 67.06 0.38 32.56 46.24 5.66 12.91 6.03 28.77 0.00 0.20 0.20 26 Y C G 154.54 4.18 10.14 15.99 96.75 -122.30 -76.07 -14.94 53.84 0.69 45.48 19.30 9.97 24.46 6.24 39.31 0.00 0.33 0.39 27 M C G 118.33 4.08 10.19 15.77 99.77 67.34 -86.39 0.13 54.99 0.97 44.04 24.13 10.82 19.88 5.83 38.34 0.00 0.46 0.53 28 R C S 153.32 3.16 11.43 16.08 101.68 93.52 -81.30 -10.33 76.20 0.80 22.99 28.00 31.98 16.74 5.38 16.84 0.00 0.30 0.76 29 H C C 103.09 3.90 11.78 17.22 111.14 29.70 -115.19 97.02 98.10 0.26 1.65 73.41 23.45 1.26 1.19 0.40 0.00 0.07 0.22 30 P H H 80.20 5.70 10.39 18.15 93.33 -158.28 -60.74 -35.19 22.49 0.11 77.40 9.69 2.53 10.34 73.06 4.25 0.00 0.05 0.08 31 W H H 180.85 1.31 14.50 15.29 91.69 55.42 -65.20 -37.02 9.22 0.02 90.76 1.33 0.83 6.58 87.41 3.83 0.01 0.01 0.01 32 E H H 97.63 3.10 14.81 18.72 92.09 51.43 -66.11 -38.55 2.32 0.01 97.67 0.53 0.23 1.34 94.94 2.96 0.00 0.00 0.00 33 H H H 61.54 9.52 11.96 22.99 92.37 50.71 -65.11 -40.75 1.02 0.00 98.98 0.26 0.10 0.56 97.69 1.40 0.00 0.00 0.00 34 V H H 79.77 3.38 16.40 20.45 91.81 49.52 -64.75 -41.98 0.70 0.00 99.29 0.14 0.06 0.41 98.77 0.61 0.00 0.00 0.00 35 V H H 91.49 1.58 18.33 18.51 91.94 49.03 -64.45 -41.79 0.69 0.00 99.31 0.11 0.05 0.44 99.04 0.36 0.00 0.00 0.00 36 G H H 29.11 5.32 15.63 22.48 91.91 49.97 -64.35 -41.52 1.35 0.00 98.65 0.18 0.09 0.96 98.39 0.38 0.00 0.00 0.00 37 M H H 82.86 6.36 15.86 23.47 92.08 49.82 -64.62 -41.11 1.55 0.00 98.44 0.20 0.11 1.12 98.25 0.31 0.00 0.00 0.00 38 G H H 38.35 2.54 17.84 20.25 92.01 50.37 -63.93 -41.90 1.42 0.00 98.58 0.21 0.11 0.96 98.49 0.23 0.00 0.00 0.00 39 L H H 95.52 1.92 18.84 19.65 91.95 48.83 -64.93 -41.58 0.58 0.00 99.42 0.08 0.04 0.37 99.36 0.15 0.00 0.00 0.00 40 G H H 27.67 5.41 15.91 22.80 92.00 50.57 -63.65 -41.66 0.46 0.00 99.53 0.06 0.02 0.29 99.49 0.14 0.00 0.00 0.00 41 A H H 50.44 4.29 16.27 21.70 91.82 50.43 -64.09 -41.69 0.34 0.00 99.66 0.04 0.02 0.22 99.63 0.10 0.00 0.00 0.00 42 V H H 86.03 1.92 18.10 19.16 91.94 49.57 -63.94 -42.47 0.35 0.00 99.65 0.04 0.02 0.24 99.63 0.07 0.00 0.00 0.00 43 F H H 116.89 2.06 17.95 19.27 91.98 49.02 -64.56 -42.15 0.32 0.00 99.68 0.03 0.02 0.20 99.68 0.06 0.00 0.00 0.00 44 A H H 48.35 4.44 15.44 21.03 91.82 50.32 -63.49 -41.35 0.40 0.00 99.60 0.04 0.02 0.27 99.60 0.08 0.00 0.00 0.00 45 N H H 82.71 3.20 16.17 19.97 92.12 50.26 -65.11 -40.22 0.84 0.00 99.16 0.06 0.03 0.62 99.17 0.11 0.00 0.00 0.00 46 Q H H 100.53 1.98 16.87 18.37 92.07 50.49 -64.57 -41.13 0.65 0.00 99.35 0.05 0.03 0.45 99.37 0.09 0.00 0.00 0.00 47 L H H 88.82 2.45 16.34 18.82 92.05 50.35 -64.67 -41.32 0.44 0.00 99.56 0.06 0.02 0.27 99.55 0.10 0.00 0.00 0.00 48 V H H 72.16 3.61 15.19 19.69 91.91 49.90 -64.21 -41.26 0.45 0.00 99.54 0.06 0.02 0.29 99.52 0.10 0.00 0.00 0.00 49 K H H 118.41 1.96 16.56 18.22 91.66 50.41 -64.52 -41.16 0.48 0.00 99.52 0.07 0.03 0.31 99.49 0.10 0.00 0.00 0.00 50 W H H 139.35 1.85 16.38 17.70 92.01 49.67 -64.35 -41.55 0.46 0.00 99.54 0.06 0.03 0.29 99.52 0.10 0.00 0.00 0.00 51 D H H 73.05 3.13 15.53 19.27 92.08 50.05 -64.14 -41.16 0.57 0.00 99.43 0.11 0.04 0.33 99.41 0.10 0.00 0.00 0.00 52 V H H 74.50 2.61 15.59 18.60 91.91 49.91 -64.31 -41.53 0.62 0.00 99.38 0.13 0.05 0.36 99.37 0.10 0.00 0.00 0.00 53 K H H 118.93 1.54 16.76 17.33 91.98 49.97 -64.28 -41.11 0.67 0.00 99.33 0.14 0.05 0.38 99.33 0.10 0.00 0.00 0.00 54 L H H 84.48 2.54 15.28 18.27 91.95 50.16 -64.64 -40.82 0.65 0.00 99.35 0.13 0.05 0.36 99.37 0.09 0.00 0.00 0.00 55 K H H 114.57 2.45 15.54 18.18 92.01 50.62 -64.20 -41.03 0.38 0.00 99.62 0.07 0.03 0.20 99.63 0.07 0.00 0.00 0.00 56 E H H 108.91 1.61 16.23 17.04 91.92 49.83 -64.50 -41.10 0.31 0.00 99.69 0.05 0.02 0.17 99.71 0.05 0.00 0.00 0.00 57 D H H 84.36 1.82 15.94 17.31 92.03 49.51 -64.98 -40.52 0.40 0.00 99.60 0.06 0.02 0.22 99.64 0.06 0.00 0.00 0.00 58 L H H 84.81 2.80 14.64 18.16 91.88 49.91 -64.46 -40.99 0.23 0.00 99.77 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 59 D H H 86.96 1.81 15.83 17.25 91.95 50.51 -64.51 -40.38 0.21 0.00 99.79 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 60 V H H 83.81 1.69 15.91 16.93 91.88 50.06 -64.61 -41.54 0.24 0.00 99.76 0.03 0.01 0.13 99.80 0.04 0.00 0.00 0.00 61 M H H 97.85 2.33 15.33 17.87 91.95 49.66 -64.34 -41.61 0.25 0.00 99.75 0.03 0.01 0.13 99.78 0.04 0.00 0.00 0.00 62 L H H 88.56 2.46 15.01 17.84 91.97 49.63 -64.44 -41.05 0.31 0.00 99.69 0.04 0.02 0.16 99.73 0.05 0.00 0.00 0.00 63 A H H 58.93 1.87 15.49 17.10 91.76 50.69 -63.78 -41.00 0.47 0.00 99.53 0.07 0.03 0.25 99.59 0.06 0.00 0.00 0.00 64 K H H 125.47 1.53 15.89 16.74 91.92 49.53 -65.33 -40.37 0.66 0.00 99.34 0.10 0.04 0.36 99.42 0.08 0.00 0.00 0.00 65 A H H 55.53 2.59 14.29 17.63 91.71 50.50 -64.44 -41.31 0.90 0.00 99.10 0.18 0.06 0.45 99.19 0.11 0.00 0.00 0.00 66 R H H 139.01 1.59 15.55 16.59 91.65 50.16 -64.93 -40.72 1.20 0.00 98.80 0.26 0.09 0.61 98.85 0.18 0.00 0.00 0.00 67 A H H 56.74 1.81 14.55 16.30 91.73 50.25 -64.27 -40.87 1.63 0.00 98.37 0.35 0.13 0.87 98.34 0.31 0.00 0.00 0.00 68 A H H 53.48 2.12 13.45 16.21 91.56 50.84 -63.76 -40.87 2.60 0.01 97.39 0.54 0.23 1.50 97.08 0.65 0.00 0.00 0.00 69 N H H 87.85 1.84 12.63 14.89 92.05 50.68 -65.50 -39.13 5.53 0.01 94.46 1.14 0.52 3.44 93.32 1.56 0.00 0.00 0.01 70 E H H 119.58 1.47 11.50 13.29 92.16 51.75 -65.73 -37.78 9.22 0.03 90.76 1.81 0.87 5.91 84.71 6.67 0.00 0.01 0.01 71 R H H 162.39 1.15 10.58 11.98 92.85 52.54 -68.00 -34.35 16.71 0.05 83.24 2.58 1.43 11.43 69.06 15.43 0.01 0.03 0.03 72 R H H 173.17 0.98 9.47 10.74 94.02 54.40 -71.25 -26.51 38.66 0.13 61.21 5.07 2.76 29.09 47.51 15.39 0.02 0.06 0.09 73 Y C T 179.14 1.06 8.38 10.00 98.56 50.35 -87.19 -5.81 61.69 0.25 38.07 25.75 1.94 35.00 28.72 8.29 0.00 0.11 0.19 74 F C C 141.71 2.95 9.36 13.90 106.04 88.46 -86.14 76.17 99.96 0.03 0.01 99.91 0.05 0.03 0.00 0.00 0.00 0.01 0.00