# 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 G C C 48.64 3.83 12.29 17.55 114.77 -129.60 78.46 -41.81 99.96 0.02 0.01 99.81 0.11 0.06 0.00 0.00 0.00 0.01 0.00 1 D C C 116.25 2.17 10.07 13.62 108.24 -90.77 -88.76 81.91 93.10 0.83 6.07 86.85 1.72 5.17 4.00 1.39 0.00 0.40 0.48 2 T C C 105.99 1.91 9.54 12.95 112.88 68.38 -93.80 127.22 84.87 3.27 11.86 59.47 16.78 8.30 8.51 3.55 0.00 1.50 1.90 3 V C C 85.27 6.51 7.75 15.77 115.74 -156.02 -95.75 132.24 81.25 3.18 15.57 58.00 17.05 5.70 13.08 3.11 0.00 1.46 1.60 4 D C C 86.91 3.39 11.98 16.72 106.66 -140.32 -89.59 101.70 86.25 0.95 12.81 80.47 2.83 3.27 11.02 1.57 0.00 0.44 0.40 5 L H H 94.71 5.39 10.43 17.64 94.88 174.55 -68.08 -29.22 24.92 0.22 74.85 16.09 3.31 6.24 71.43 2.72 0.00 0.10 0.10 6 N H H 112.22 1.20 13.67 14.43 92.64 59.33 -64.89 -38.67 15.62 0.10 84.28 5.62 2.33 8.02 80.58 3.35 0.01 0.04 0.05 7 K H H 116.95 2.19 13.65 16.22 92.71 50.61 -67.12 -38.30 9.05 0.08 90.87 3.58 1.40 4.53 87.25 3.15 0.01 0.04 0.04 8 L H H 71.72 5.83 11.48 19.12 92.42 52.72 -64.87 -40.92 3.15 0.03 96.83 1.47 0.48 1.27 95.72 1.04 0.00 0.01 0.01 9 N H H 96.83 2.10 15.23 17.40 92.11 51.23 -64.98 -39.66 2.17 0.02 97.81 0.98 0.28 0.91 97.31 0.49 0.00 0.01 0.00 10 E H H 118.76 1.44 16.02 16.45 92.36 50.45 -65.28 -40.88 1.76 0.01 98.23 0.66 0.23 0.83 97.89 0.37 0.00 0.01 0.00 11 I H H 80.38 4.06 14.59 19.73 92.50 49.46 -65.29 -41.75 1.50 0.01 98.49 0.64 0.20 0.64 98.27 0.24 0.00 0.01 0.00 12 E H H 96.14 3.55 15.41 19.89 92.02 50.75 -64.16 -40.61 0.96 0.00 99.03 0.29 0.10 0.46 99.00 0.15 0.00 0.00 0.00 13 G H H 35.44 2.17 16.35 18.32 91.74 50.87 -63.78 -41.41 1.57 0.01 98.43 0.34 0.13 0.91 98.41 0.20 0.00 0.00 0.00 14 T H H 71.38 2.50 16.20 18.74 92.15 49.84 -65.49 -41.15 1.68 0.01 98.31 0.35 0.16 0.95 98.32 0.21 0.00 0.00 0.00 15 L H H 77.86 4.79 14.44 20.47 92.25 50.71 -65.05 -40.52 1.34 0.01 98.65 0.35 0.14 0.66 98.64 0.20 0.00 0.00 0.00 16 N H H 92.28 2.12 16.43 18.33 91.90 51.00 -64.51 -40.24 1.54 0.01 98.45 0.42 0.14 0.77 98.44 0.22 0.00 0.00 0.00 17 K H H 124.12 1.49 16.77 17.16 92.15 50.08 -65.34 -40.20 1.84 0.01 98.15 0.41 0.18 1.01 98.09 0.29 0.00 0.00 0.00 18 A H H 47.41 3.92 13.82 19.19 92.35 51.19 -64.56 -40.37 2.26 0.01 97.73 0.57 0.24 1.21 97.51 0.45 0.00 0.01 0.00 19 K H H 110.41 3.12 14.53 18.54 92.20 51.28 -64.61 -40.05 3.23 0.01 96.76 0.75 0.34 1.88 96.20 0.81 0.00 0.01 0.00 20 D H H 89.59 1.61 15.10 16.13 92.44 50.78 -65.76 -38.51 6.83 0.03 93.14 1.40 0.73 4.45 91.88 1.49 0.01 0.01 0.01 21 E H H 116.93 1.87 14.01 15.97 92.84 51.52 -67.17 -36.53 11.89 0.06 88.05 2.30 1.53 7.89 86.00 2.20 0.02 0.03 0.03 22 M H H 98.03 4.19 11.12 16.87 94.44 54.13 -72.22 -29.35 24.54 0.25 75.21 9.23 4.20 11.83 71.78 2.70 0.02 0.10 0.14 23 K H H 139.96 2.03 12.45 15.19 96.96 61.23 -72.98 -27.51 41.56 0.46 57.97 20.68 6.44 14.89 54.61 2.93 0.01 0.19 0.25 24 V C H 105.06 1.88 11.96 14.29 100.81 56.66 -81.12 -18.63 51.44 0.48 48.07 22.42 10.50 18.74 44.31 3.56 0.02 0.18 0.28 25 S C H 63.82 3.77 10.74 16.01 106.89 61.30 -86.88 17.56 64.69 0.39 34.93 23.50 18.75 21.77 32.08 3.51 0.01 0.13 0.26 26 D C H 95.11 2.70 12.40 15.97 100.05 -123.59 -73.33 15.40 59.07 0.39 40.54 36.25 8.60 12.79 39.21 2.78 0.00 0.14 0.23 27 L H H 91.78 3.64 11.30 16.51 94.41 117.94 -65.51 -38.87 12.50 0.07 87.43 6.26 2.21 4.38 85.04 2.04 0.00 0.03 0.03 28 D H H 96.94 1.84 13.46 15.71 92.21 52.58 -65.04 -39.34 6.54 0.03 93.43 2.48 0.98 3.08 91.65 1.79 0.00 0.01 0.01 29 R H H 142.76 1.56 14.35 15.64 92.34 50.80 -65.98 -40.14 4.26 0.03 95.71 1.60 0.62 2.10 94.02 1.63 0.00 0.02 0.01 30 K H H 111.89 2.32 14.37 17.13 92.12 50.78 -64.92 -41.21 3.12 0.03 96.85 1.42 0.46 1.31 95.97 0.80 0.00 0.01 0.01 31 V H H 77.61 2.64 14.48 17.74 92.01 49.93 -64.62 -41.33 2.29 0.02 97.70 0.96 0.29 0.98 97.29 0.47 0.00 0.01 0.00 32 S H H 57.05 2.09 15.30 17.44 91.63 51.15 -63.99 -41.13 1.95 0.01 98.04 0.80 0.21 0.83 97.82 0.33 0.00 0.00 0.00 33 D H H 84.46 1.87 15.88 17.31 92.06 49.90 -65.11 -40.55 1.84 0.00 98.16 0.51 0.19 0.97 98.05 0.28 0.00 0.00 0.00 34 L H H 89.22 2.56 14.95 17.91 92.05 50.19 -64.99 -40.69 1.09 0.00 98.90 0.30 0.11 0.56 98.83 0.20 0.00 0.00 0.00 35 E H H 107.35 2.16 15.29 17.55 91.68 50.67 -64.47 -40.85 0.70 0.00 99.29 0.19 0.06 0.33 99.30 0.11 0.00 0.00 0.00 36 N H H 91.76 1.64 16.25 17.12 92.03 50.00 -64.91 -40.91 0.84 0.00 99.16 0.19 0.07 0.45 99.18 0.11 0.00 0.00 0.00 37 E H H 99.58 2.10 16.01 17.91 91.89 50.20 -64.59 -41.11 0.76 0.00 99.24 0.15 0.06 0.42 99.27 0.10 0.00 0.00 0.00 38 A H H 49.32 3.20 14.29 18.72 91.69 51.02 -63.69 -40.80 0.84 0.00 99.15 0.20 0.06 0.43 99.21 0.10 0.00 0.00 0.00 39 K H H 123.15 1.72 16.08 17.34 91.75 50.54 -64.68 -40.67 1.00 0.00 99.00 0.23 0.07 0.52 99.07 0.10 0.00 0.00 0.00 40 K H H 126.79 1.41 16.22 16.68 92.05 50.06 -64.94 -40.98 0.88 0.00 99.11 0.20 0.07 0.48 99.18 0.08 0.00 0.00 0.00 41 Q H H 99.42 2.22 15.39 17.70 92.05 50.19 -64.73 -40.83 0.56 0.00 99.44 0.15 0.04 0.27 99.49 0.05 0.00 0.00 0.00 42 E H H 108.57 2.19 15.68 17.96 91.71 50.26 -63.95 -40.99 0.36 0.00 99.64 0.07 0.02 0.19 99.68 0.05 0.00 0.00 0.00 43 A H H 56.76 1.97 15.85 17.56 91.59 50.44 -63.78 -41.06 0.39 0.00 99.61 0.06 0.02 0.22 99.65 0.05 0.00 0.00 0.00 44 A H H 58.20 2.15 15.69 17.81 91.86 50.45 -64.22 -41.19 0.48 0.00 99.52 0.07 0.03 0.28 99.56 0.06 0.00 0.00 0.00 45 I H H 88.82 2.49 15.08 17.95 91.90 49.86 -64.46 -41.28 0.48 0.00 99.52 0.09 0.03 0.27 99.53 0.08 0.00 0.00 0.00 46 M H H 103.86 1.79 15.74 17.10 91.63 50.57 -64.05 -41.43 0.69 0.00 99.31 0.11 0.04 0.41 99.33 0.10 0.00 0.00 0.00 47 D H H 83.57 1.77 16.02 17.22 91.92 50.18 -64.59 -41.18 1.31 0.00 98.69 0.17 0.08 0.87 98.74 0.14 0.00 0.00 0.00 48 Y H H 122.73 2.39 15.02 17.66 91.73 50.10 -64.53 -41.44 0.86 0.00 99.14 0.18 0.07 0.48 99.16 0.11 0.00 0.00 0.00 49 N H H 88.01 2.42 15.24 18.04 91.74 50.70 -64.31 -40.41 0.59 0.00 99.41 0.13 0.04 0.32 99.45 0.07 0.00 0.00 0.00 50 R H H 134.69 1.55 15.86 16.67 91.84 50.40 -64.52 -41.00 0.38 0.00 99.62 0.06 0.02 0.21 99.66 0.05 0.00 0.00 0.00 51 D H H 82.97 2.00 15.89 17.64 91.94 49.96 -64.81 -40.85 0.43 0.00 99.57 0.07 0.03 0.23 99.62 0.05 0.00 0.00 0.00 52 I H H 83.99 3.09 14.66 18.61 91.89 49.84 -64.85 -41.36 0.25 0.00 99.75 0.04 0.01 0.13 99.79 0.03 0.00 0.00 0.00 53 E H H 105.07 2.00 15.91 17.71 91.60 50.68 -63.99 -41.15 0.12 0.00 99.88 0.02 0.00 0.06 99.90 0.02 0.00 0.00 0.00 54 E H H 107.40 1.75 16.18 17.32 91.89 50.11 -64.57 -41.26 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 55 I H H 88.91 2.72 15.27 18.45 91.87 49.51 -64.48 -41.66 0.18 0.00 99.82 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 56 M H H 95.37 2.85 15.32 18.76 91.83 50.24 -64.47 -40.81 0.26 0.00 99.74 0.02 0.01 0.17 99.75 0.04 0.00 0.00 0.00 57 K H H 112.31 1.88 16.30 17.73 91.72 51.15 -64.00 -41.28 0.41 0.00 99.59 0.04 0.02 0.25 99.58 0.10 0.00 0.00 0.00 58 C H H 66.55 2.53 15.31 18.26 91.90 49.85 -64.68 -40.92 0.94 0.00 99.06 0.10 0.05 0.63 98.99 0.22 0.00 0.00 0.00 59 I H H 85.22 3.36 14.71 19.02 92.25 49.53 -65.40 -40.76 1.64 0.00 98.36 0.21 0.12 1.08 98.16 0.42 0.00 0.00 0.00 60 R H H 143.76 1.72 15.89 17.29 91.84 50.90 -64.38 -40.00 6.94 0.01 93.05 0.57 0.47 5.48 92.93 0.54 0.01 0.00 0.01 61 N H H 88.53 2.08 15.15 17.18 92.73 49.22 -67.65 -37.46 28.36 0.03 71.61 1.88 1.05 24.08 72.10 0.85 0.00 0.01 0.02 62 L H H 81.65 3.65 13.54 18.47 92.50 53.05 -64.38 -40.59 7.15 0.03 92.82 2.56 1.00 3.36 91.58 1.48 0.00 0.01 0.01 63 E H H 103.02 2.35 14.70 17.45 92.08 51.65 -64.53 -40.41 2.97 0.01 97.02 0.99 0.37 1.49 95.84 1.30 0.00 0.00 0.00 64 D H H 82.11 1.66 14.56 15.90 92.18 50.90 -64.39 -40.74 3.03 0.02 96.95 0.78 0.37 1.76 95.06 2.02 0.01 0.01 0.01 65 I H H 89.72 3.03 12.57 16.78 92.41 50.38 -65.13 -40.36 2.17 0.01 97.82 0.45 0.23 1.33 95.49 2.49 0.00 0.01 0.00 66 R H H 135.48 4.05 11.99 17.67 92.12 52.68 -65.43 -35.50 3.29 0.01 96.70 0.37 0.25 2.46 92.72 4.19 0.00 0.00 0.00 67 K H H 157.15 1.02 13.31 13.89 92.55 52.84 -73.13 -23.01 19.51 0.02 80.47 0.60 0.76 18.64 75.85 4.11 0.01 0.01 0.01 68 T H H 105.19 1.21 12.62 13.47 97.53 47.43 -94.94 -5.59 41.96 0.07 57.98 1.67 2.67 37.08 54.69 3.78 0.03 0.02 0.06 69 L C S 69.75 9.30 6.48 16.79 118.09 107.26 -76.61 142.51 99.62 0.17 0.21 28.34 70.99 0.29 0.17 0.03 0.00 0.03 0.15 70 P C C 83.15 2.76 11.52 15.54 115.00 -105.33 -64.47 152.00 98.83 0.11 1.06 95.65 1.89 1.57 0.29 0.47 0.00 0.04 0.09 71 S C T 99.60 0.83 11.67 12.60 109.56 -91.65 -63.70 137.39 82.97 0.21 16.81 3.85 7.31 71.38 3.06 14.06 0.00 0.10 0.23 72 G C T 53.62 2.02 12.46 15.08 96.72 20.07 84.41 -3.82 81.27 0.25 18.49 5.63 6.12 68.89 3.73 15.31 0.00 0.13 0.20 73 C C G 55.14 8.24 8.78 18.46 95.93 113.12 -71.57 -24.20 62.59 1.03 36.39 32.80 10.06 18.04 3.93 34.14 0.00 0.48 0.55 74 F C T 128.64 5.47 10.29 17.22 96.28 65.57 -78.56 -10.59 71.86 1.32 26.82 22.83 13.80 35.20 3.43 23.30 0.00 0.62 0.82 75 N C C 130.99 0.99 13.06 13.61 98.25 57.52 -93.01 12.55 79.52 1.04 19.45 39.08 16.02 23.29 2.26 18.21 0.00 0.46 0.67 76 T C C 69.16 6.28 7.45 15.64 117.81 116.37 -90.55 139.41 97.33 0.95 1.72 67.31 29.02 1.07 0.87 0.68 0.00 0.29 0.76 77 P C C 104.32 1.67 11.66 14.14 113.91 -106.82 -68.37 148.36 88.11 1.16 10.73 74.65 7.16 6.54 3.00 7.45 0.00 0.62 0.58 78 S C C 78.43 4.15 8.93 15.01 112.08 -105.19 -76.23 138.10 79.95 3.03 17.02 64.24 6.99 7.93 3.12 14.75 0.00 1.77 1.20 79 I C C 123.24 3.49 8.46 13.47 100.91 -146.70 -84.51 -9.28 77.14 4.46 18.40 41.47 19.19 16.43 2.78 16.00 0.01 2.42 1.72 80 E C C 133.92 2.92 7.46 12.17 112.50 90.65 -90.59 125.71 81.39 4.83 13.79 46.94 17.43 15.96 2.00 13.08 0.00 2.52 2.06 81 K C C 154.46 1.74 8.51 11.99 116.12 -142.93 -94.27 133.29 99.17 0.77 0.06 94.63 4.47 0.21 0.02 0.03 0.00 0.42 0.23 82 P C C 107.68 2.33 10.65 14.69 111.85 -101.18 -65.74 145.70 99.97 0.02 0.01 99.88 0.08 0.02 0.00 0.00 0.00 0.01 0.00