# 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 69.80 7.92 13.49 22.67 110.70 -107.72 -69.65 146.49 99.94 0.02 0.04 99.83 0.07 0.07 0.02 0.00 0.00 0.00 0.00 1 N C C 106.25 4.22 12.17 17.96 106.35 -136.28 -85.68 86.45 91.05 0.94 8.01 86.86 1.41 2.45 7.74 0.55 0.00 0.27 0.72 2 I C H 92.63 5.48 10.24 17.35 107.05 105.49 -84.32 86.75 50.76 0.76 48.48 36.23 10.25 3.74 48.05 1.11 0.00 0.22 0.40 3 E H H 133.06 2.12 13.19 16.05 93.97 57.72 -64.40 -38.99 8.01 0.05 91.93 3.81 1.24 2.80 90.75 1.35 0.00 0.02 0.03 4 S H H 60.76 2.47 14.36 17.34 92.99 51.49 -66.33 -39.42 5.11 0.04 94.85 2.28 0.69 2.10 93.44 1.45 0.00 0.02 0.02 5 A H H 36.81 6.07 12.83 21.15 92.54 52.25 -64.96 -40.49 2.50 0.02 97.48 1.18 0.32 0.98 96.50 1.01 0.00 0.01 0.01 6 I H H 76.39 5.00 14.89 21.26 92.14 50.70 -64.23 -41.46 1.37 0.01 98.62 0.58 0.17 0.54 98.41 0.30 0.00 0.00 0.00 7 K H H 116.17 2.36 17.40 19.67 92.18 50.52 -64.91 -41.23 1.20 0.01 98.79 0.45 0.12 0.51 98.76 0.15 0.00 0.00 0.00 8 R H H 129.06 3.65 17.11 21.46 92.29 50.42 -65.21 -40.71 1.17 0.01 98.82 0.39 0.11 0.51 98.86 0.12 0.00 0.00 0.00 9 V H H 66.05 6.62 16.35 24.09 92.40 50.03 -65.61 -41.24 0.79 0.00 99.21 0.24 0.07 0.33 99.28 0.08 0.00 0.00 0.00 10 R H H 133.60 2.84 19.05 21.85 92.10 49.95 -64.24 -41.35 0.86 0.00 99.13 0.23 0.07 0.39 99.23 0.08 0.00 0.00 0.00 11 T H H 67.08 3.84 18.90 22.95 92.34 48.98 -65.39 -41.57 1.04 0.00 98.95 0.25 0.09 0.49 99.08 0.08 0.00 0.00 0.00 12 S H H 41.84 8.24 16.96 26.43 92.42 50.01 -65.15 -40.67 1.18 0.00 98.82 0.30 0.10 0.54 98.97 0.08 0.00 0.00 0.00 13 A H H 52.90 4.77 18.88 24.19 92.00 50.65 -64.65 -41.26 1.01 0.00 98.99 0.21 0.09 0.50 99.11 0.09 0.00 0.00 0.00 14 N H H 91.69 2.26 21.74 22.77 92.12 49.39 -65.07 -40.89 1.14 0.00 98.86 0.23 0.10 0.59 98.98 0.11 0.00 0.00 0.00 15 A H H 34.27 9.08 17.01 27.51 92.28 50.57 -64.41 -41.30 1.22 0.00 98.78 0.25 0.10 0.63 98.89 0.12 0.00 0.00 0.00 16 N H H 74.55 8.46 18.17 27.33 91.92 51.23 -64.39 -40.68 1.56 0.00 98.43 0.32 0.14 0.83 98.54 0.16 0.00 0.00 0.00 17 A H H 62.35 2.42 21.62 22.82 91.80 50.11 -64.72 -41.13 1.79 0.00 98.21 0.35 0.16 1.02 98.27 0.19 0.00 0.00 0.00 18 K H H 109.65 3.83 21.02 24.97 92.11 49.28 -65.27 -40.87 2.59 0.00 97.40 0.48 0.25 1.56 97.47 0.22 0.00 0.00 0.00 19 N H H 32.21 15.56 15.64 31.43 92.50 50.40 -65.83 -39.25 3.95 0.01 96.04 0.88 0.39 2.26 96.20 0.25 0.00 0.00 0.00 20 S H H 57.30 5.31 20.93 26.59 91.78 52.46 -63.87 -41.14 1.48 0.00 98.52 0.39 0.15 0.69 98.64 0.13 0.00 0.00 0.00 21 S H H 64.46 2.07 23.32 23.58 91.75 49.88 -64.74 -41.23 0.92 0.00 99.08 0.20 0.08 0.48 99.13 0.11 0.00 0.00 0.00 22 Q H H 45.84 13.38 19.19 32.81 91.85 49.07 -65.17 -41.72 0.65 0.00 99.35 0.13 0.06 0.36 99.36 0.09 0.00 0.00 0.00 23 T H H 33.11 15.96 18.33 34.02 91.31 51.57 -62.91 -42.14 0.46 0.00 99.54 0.08 0.03 0.26 99.57 0.06 0.00 0.00 0.00 24 N H H 90.78 2.23 24.79 25.39 91.43 50.31 -63.82 -40.98 0.51 0.00 99.49 0.09 0.03 0.29 99.53 0.05 0.00 0.00 0.00 25 A H H 47.27 5.62 22.73 28.72 91.61 50.03 -64.60 -41.32 0.49 0.00 99.51 0.06 0.03 0.31 99.55 0.05 0.00 0.00 0.00 26 M H H 14.34 21.49 16.38 37.79 91.72 50.36 -64.38 -42.35 0.27 0.00 99.73 0.04 0.02 0.16 99.76 0.03 0.00 0.00 0.00 27 R H H 114.21 7.67 22.73 30.90 91.28 51.33 -62.61 -41.80 0.19 0.00 99.81 0.03 0.01 0.11 99.83 0.02 0.00 0.00 0.00 28 T H H 74.03 2.13 25.11 25.26 91.31 49.60 -64.10 -42.02 0.21 0.00 99.79 0.03 0.01 0.14 99.80 0.03 0.00 0.00 0.00 29 A H H 13.34 14.98 19.30 35.22 91.41 50.46 -63.88 -42.39 0.21 0.00 99.79 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 30 I H H 26.86 17.89 18.83 36.47 91.29 50.25 -62.98 -42.67 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 31 K H H 115.69 2.37 24.77 25.93 91.35 50.45 -63.61 -41.81 0.23 0.00 99.77 0.02 0.01 0.16 99.78 0.04 0.00 0.00 0.00 32 K H H 98.73 4.99 23.65 28.69 91.64 49.72 -64.95 -41.10 0.38 0.00 99.62 0.03 0.01 0.27 99.64 0.05 0.00 0.00 0.00 33 F H H 13.94 21.02 16.12 37.14 91.83 50.67 -64.55 -42.28 0.14 0.00 99.86 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 34 E H H 89.05 7.38 22.00 29.80 91.50 50.89 -63.31 -41.59 0.16 0.00 99.84 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 35 E H H 107.78 1.83 23.33 22.99 91.87 49.74 -64.58 -41.39 0.29 0.00 99.71 0.02 0.01 0.20 99.69 0.07 0.00 0.00 0.00 36 A H H 12.85 11.49 14.45 28.34 91.66 50.70 -63.57 -41.79 0.50 0.00 99.50 0.06 0.04 0.30 99.45 0.15 0.00 0.00 0.00 37 V H H 55.46 11.89 14.04 26.47 92.18 50.23 -64.51 -41.82 1.06 0.00 98.94 0.11 0.06 0.74 98.66 0.42 0.00 0.00 0.00 38 A H H 89.24 1.21 16.66 17.32 90.89 52.58 -65.24 -30.19 4.86 0.00 95.13 0.17 0.21 4.33 94.83 0.45 0.00 0.00 0.00 39 A C T 74.96 2.44 13.67 16.87 92.96 52.24 -85.75 -4.60 65.19 0.01 34.80 0.48 1.36 62.06 35.31 0.77 0.00 0.00 0.01 40 G C T 60.99 1.21 15.59 16.49 94.30 -110.02 80.79 16.82 99.54 0.01 0.45 3.70 1.40 94.59 0.24 0.07 0.00 0.00 0.00 41 A C C 37.76 11.31 8.36 20.61 116.97 156.74 -78.74 146.02 96.42 0.14 3.44 92.81 2.41 1.58 0.88 2.15 0.00 0.04 0.12 42 D C T 127.89 0.99 17.26 17.08 100.57 -133.36 -74.73 -14.68 90.37 0.24 9.39 24.57 26.80 38.35 1.90 8.09 0.00 0.10 0.18 43 N C C 85.97 5.62 16.17 22.93 103.48 32.57 -111.85 49.95 89.68 0.23 10.09 49.55 6.03 34.45 3.90 5.79 0.00 0.10 0.18 44 V H H 24.56 19.71 10.66 29.83 93.96 147.29 -64.21 -38.18 9.06 0.03 90.91 6.32 1.00 1.95 88.60 2.10 0.00 0.01 0.01 45 D H H 95.00 4.47 20.12 25.81 91.40 55.93 -62.00 -41.15 2.54 0.00 97.46 0.67 0.22 1.35 95.50 2.26 0.00 0.00 0.00 46 A H H 58.27 2.18 23.01 23.51 91.42 49.37 -64.47 -41.08 1.35 0.00 98.64 0.25 0.10 0.83 96.25 2.57 0.00 0.00 0.00 47 L H H 19.17 16.59 17.57 34.65 92.00 50.10 -64.47 -42.53 0.76 0.00 99.24 0.14 0.06 0.44 98.56 0.81 0.00 0.00 0.00 48 Y H H 32.06 20.28 18.33 37.90 91.58 50.86 -62.83 -42.67 0.28 0.00 99.72 0.05 0.02 0.14 99.73 0.07 0.00 0.00 0.00 49 N H H 91.25 3.19 25.30 28.17 91.45 50.23 -63.81 -41.65 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 50 E H H 90.90 5.22 25.14 30.45 91.54 49.05 -64.99 -41.38 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 51 A H H 3.24 23.53 18.01 41.78 91.56 50.28 -63.98 -43.02 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 52 V H H 38.38 15.13 22.68 37.23 91.47 50.78 -63.12 -42.41 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 53 K H H 120.38 2.05 27.17 27.85 91.32 50.48 -63.43 -41.89 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 54 A H H 21.58 12.78 22.76 36.08 91.49 49.25 -64.17 -42.51 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 55 V H H 4.79 24.58 18.01 42.63 91.56 49.17 -63.70 -42.89 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 56 D H H 65.59 7.09 24.23 31.65 91.31 50.79 -63.23 -41.72 0.17 0.00 99.83 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 57 M H H 91.83 3.19 24.90 27.32 91.91 49.23 -64.86 -41.50 0.29 0.00 99.71 0.02 0.01 0.21 99.71 0.06 0.00 0.00 0.00 58 A H H 7.54 16.51 16.27 34.11 91.81 50.70 -64.60 -41.51 0.53 0.00 99.47 0.05 0.03 0.36 99.41 0.15 0.00 0.00 0.00 59 A H H 29.61 13.89 15.52 29.80 92.28 51.68 -63.96 -41.21 1.43 0.00 98.57 0.11 0.09 1.14 98.00 0.66 0.00 0.00 0.00 60 T H H 107.63 1.31 19.11 19.54 90.91 52.77 -65.65 -30.11 6.80 0.01 93.20 0.14 0.22 6.77 92.21 0.65 0.01 0.00 0.00 61 K C T 117.57 4.39 15.52 21.09 92.62 53.39 -85.72 -2.20 81.52 0.02 18.46 0.21 1.27 80.06 17.65 0.79 0.00 0.00 0.02 62 G C T 52.23 3.51 17.37 21.87 95.24 -111.83 79.24 12.34 99.74 0.01 0.26 0.34 2.37 97.14 0.11 0.04 0.00 0.00 0.00 63 L C S 48.99 13.20 15.97 29.83 95.67 120.88 -79.88 -30.05 99.79 0.13 0.08 5.97 92.64 1.24 0.04 0.02 0.00 0.04 0.05 64 I C S 13.53 21.59 11.70 33.06 132.33 23.65 -134.69 148.27 95.94 3.94 0.13 10.85 84.89 0.80 0.07 0.03 0.00 0.76 2.60 65 H C C 105.24 3.25 21.68 24.16 116.73 -105.73 -71.38 151.39 98.88 0.93 0.19 98.00 0.92 0.10 0.12 0.03 0.00 0.55 0.28 66 K H H 123.60 8.91 13.43 23.64 91.61 -112.94 -57.93 -37.98 49.51 0.15 50.34 3.05 5.48 40.21 44.34 6.67 0.05 0.05 0.14 67 N H H 114.46 1.23 20.23 19.57 91.70 53.11 -65.28 -36.83 44.25 0.09 55.66 2.69 4.16 36.70 51.47 4.84 0.03 0.03 0.08 68 K H H 83.10 7.62 19.55 27.75 92.47 49.48 -67.19 -39.34 12.40 0.09 87.51 4.40 2.18 6.19 82.32 4.81 0.01 0.04 0.05 69 A H H 5.26 21.61 12.41 34.27 91.59 52.64 -63.03 -42.70 4.23 0.03 95.74 1.55 0.58 1.98 94.11 1.75 0.00 0.01 0.01 70 N H H 82.48 4.84 21.66 26.80 91.42 51.74 -63.58 -41.06 2.44 0.01 97.55 0.88 0.30 1.13 96.44 1.24 0.00 0.00 0.00 71 R H H 133.29 2.02 23.37 23.71 92.04 49.75 -64.76 -41.45 1.50 0.00 98.49 0.42 0.17 0.77 98.00 0.64 0.00 0.00 0.00 72 D H H 33.61 14.94 18.64 33.57 92.09 49.45 -65.37 -41.34 1.72 0.00 98.27 0.41 0.18 0.93 98.06 0.40 0.00 0.00 0.00 73 K H H 59.50 16.44 18.09 33.77 91.54 51.77 -62.49 -42.14 2.53 0.01 97.47 0.63 0.28 1.36 97.36 0.36 0.00 0.00 0.00 74 I H H 95.26 2.30 23.32 24.13 91.52 50.23 -63.77 -41.65 2.71 0.01 97.28 0.74 0.24 1.35 97.35 0.32 0.00 0.00 0.00 75 R H H 110.08 4.52 22.00 26.66 92.03 49.60 -64.98 -41.24 2.48 0.01 97.51 0.53 0.21 1.45 97.36 0.43 0.00 0.00 0.00 76 L H H 14.35 19.43 14.71 34.47 92.17 50.19 -64.94 -41.46 2.01 0.01 97.98 0.55 0.20 1.08 97.37 0.80 0.00 0.00 0.00 77 S H H 41.92 8.39 17.55 27.19 91.91 51.93 -63.85 -40.07 2.45 0.01 97.54 0.68 0.25 1.34 96.37 1.34 0.00 0.00 0.00 78 K H H 138.23 1.41 19.19 19.27 92.49 51.24 -65.67 -39.32 5.93 0.01 94.06 0.76 0.45 4.30 92.15 2.31 0.01 0.00 0.01 79 L H H 77.21 8.42 14.76 24.28 92.75 51.04 -68.92 -32.21 12.46 0.02 87.52 1.60 1.06 9.28 86.18 1.85 0.01 0.01 0.02 80 A H H 37.00 14.03 10.33 24.24 95.73 55.02 -78.59 -16.83 39.13 0.14 60.73 16.18 1.34 20.38 60.61 1.32 0.00 0.04 0.12 81 K C C 149.77 2.77 16.37 20.28 100.48 113.87 -68.64 42.16 99.93 0.01 0.06 99.60 0.08 0.27 0.05 0.00 0.00 0.00 0.00