# 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 S C C 60.68 5.37 13.83 20.32 109.45 -136.54 -80.96 133.72 99.94 0.01 0.05 99.88 0.05 0.04 0.03 0.00 0.00 0.00 0.00 1 E H H 116.17 3.08 13.90 17.64 96.53 49.62 -69.89 -30.97 43.35 0.16 56.49 38.49 0.84 4.05 55.32 1.17 0.00 0.06 0.08 2 V H H 51.26 11.46 10.91 23.06 93.67 58.03 -66.28 -38.69 16.59 0.11 83.30 9.69 2.45 4.74 81.01 2.02 0.00 0.05 0.05 3 R H H 124.99 5.58 14.76 21.68 92.34 53.64 -64.42 -39.64 9.06 0.08 90.85 5.09 1.36 2.95 88.12 2.42 0.00 0.04 0.03 4 K H H 119.16 1.82 17.83 18.75 92.40 50.94 -65.60 -40.30 6.64 0.07 93.29 3.62 1.05 2.25 90.95 2.07 0.00 0.03 0.02 5 Q H H 67.83 7.91 16.77 25.90 92.33 49.92 -65.84 -39.84 6.70 0.06 93.25 3.61 1.03 2.29 91.85 1.16 0.00 0.02 0.03 6 L H H 27.52 16.03 14.06 30.53 92.02 51.68 -63.92 -41.26 3.28 0.02 96.70 1.50 0.45 1.26 96.05 0.72 0.00 0.01 0.01 7 E H H 102.35 3.09 20.16 23.11 91.65 51.31 -63.81 -40.87 2.00 0.01 97.99 0.64 0.26 1.00 97.09 1.00 0.00 0.01 0.00 8 E H H 95.19 3.16 20.12 23.04 91.97 50.20 -64.91 -40.59 2.61 0.01 97.38 0.50 0.26 1.64 95.76 1.83 0.00 0.01 0.00 9 A H H 13.35 18.55 13.51 32.14 92.09 51.21 -65.76 -37.58 3.61 0.01 96.38 0.46 0.31 2.52 92.26 4.44 0.00 0.00 0.00 10 R H H 107.86 11.47 16.27 27.98 91.18 57.02 -67.76 -26.79 23.40 0.02 76.58 0.72 0.94 21.76 71.91 4.64 0.01 0.01 0.02 11 K C T 159.46 1.02 19.58 18.69 94.59 55.13 -86.49 -8.09 62.12 0.03 37.85 1.90 2.61 57.57 33.72 4.15 0.00 0.01 0.04 12 L C S 41.73 14.39 8.98 23.67 119.25 103.49 -78.17 148.27 98.59 0.20 1.21 37.22 60.16 1.00 1.22 0.13 0.00 0.03 0.25 13 S C C 56.69 2.44 19.82 21.24 120.89 -114.95 -74.93 161.62 99.65 0.10 0.26 99.09 0.52 0.10 0.19 0.01 0.00 0.02 0.07 14 P H H 64.36 12.70 12.34 25.37 92.08 -102.97 -58.57 -37.69 2.93 0.01 97.07 0.57 0.43 1.70 96.57 0.73 0.00 0.00 0.00 15 V H H 97.88 1.69 18.65 19.26 91.94 52.92 -64.13 -40.80 1.79 0.00 98.21 0.23 0.17 1.28 97.47 0.85 0.00 0.00 0.00 16 E H H 90.04 3.89 18.79 23.09 91.77 49.34 -65.24 -40.64 0.84 0.00 99.16 0.17 0.07 0.53 98.34 0.89 0.00 0.00 0.00 17 L H H 12.27 19.43 12.90 32.67 91.83 50.33 -63.88 -42.51 0.26 0.00 99.74 0.05 0.02 0.14 99.64 0.16 0.00 0.00 0.00 18 E H H 84.09 8.42 19.16 28.29 91.16 51.18 -63.03 -41.38 0.22 0.00 99.78 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 19 K H H 119.90 1.57 22.85 21.99 91.88 49.75 -64.61 -41.71 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.05 0.00 0.00 0.00 20 L H H 46.32 9.67 19.28 30.15 91.93 49.28 -65.04 -41.45 0.23 0.00 99.77 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 21 V H H 15.20 18.36 15.77 34.48 91.76 50.63 -63.70 -42.27 0.22 0.00 99.78 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 22 R H H 125.31 3.19 22.06 24.97 91.50 50.59 -63.67 -41.53 0.31 0.00 99.69 0.04 0.02 0.19 99.71 0.04 0.00 0.00 0.00 23 E H H 98.12 2.58 21.86 23.40 91.65 49.73 -64.71 -41.56 0.75 0.00 99.25 0.07 0.04 0.50 99.33 0.07 0.00 0.00 0.00 24 K H H 36.24 14.90 16.60 32.04 92.07 50.12 -64.76 -41.02 1.15 0.00 98.85 0.15 0.07 0.73 98.97 0.08 0.00 0.00 0.00 25 K H H 85.94 10.70 18.56 29.49 91.52 52.11 -63.00 -41.04 0.74 0.00 99.26 0.13 0.04 0.37 99.41 0.05 0.00 0.00 0.00 26 R H H 140.53 1.52 22.37 21.70 91.75 50.54 -64.34 -41.62 0.33 0.00 99.67 0.05 0.02 0.16 99.73 0.04 0.00 0.00 0.00 27 E H H 75.87 6.59 19.62 27.11 91.71 49.68 -64.76 -41.07 0.28 0.00 99.72 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 28 L H H 27.71 15.74 15.38 31.62 91.81 50.66 -64.13 -41.68 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.06 0.00 0.00 0.00 29 M H H 91.75 3.43 20.73 24.03 91.62 50.45 -63.57 -41.27 0.28 0.00 99.72 0.02 0.01 0.19 99.72 0.06 0.00 0.00 0.00 30 E H H 104.50 2.33 21.23 22.45 91.82 49.87 -64.91 -40.18 0.74 0.00 99.26 0.05 0.03 0.54 99.26 0.12 0.00 0.00 0.00 31 L H H 27.55 13.75 14.46 29.33 91.85 51.30 -64.38 -41.02 0.76 0.00 99.24 0.07 0.04 0.49 99.05 0.35 0.00 0.00 0.00 32 R H H 113.44 7.22 17.53 25.73 91.89 52.14 -63.26 -41.33 0.87 0.00 99.13 0.12 0.06 0.54 98.80 0.49 0.00 0.00 0.00 33 F H H 125.29 1.44 19.07 18.61 92.19 49.36 -64.81 -40.93 1.71 0.01 98.28 0.20 0.13 1.22 97.83 0.61 0.00 0.00 0.00 34 Q H H 67.72 5.48 14.82 21.94 92.47 49.81 -66.18 -40.09 2.86 0.02 97.12 0.57 0.33 1.82 96.38 0.87 0.01 0.01 0.01 35 A H H 35.98 11.38 11.24 23.51 92.25 52.48 -64.55 -39.87 4.08 0.02 95.90 0.63 0.37 2.93 93.47 2.57 0.01 0.01 0.01 36 S H H 85.44 1.63 14.00 16.04 91.87 53.31 -66.73 -29.19 11.14 0.02 88.83 0.57 0.60 9.98 86.39 2.41 0.02 0.01 0.01 37 I C T 122.53 1.45 12.89 14.24 94.20 49.57 -87.95 -1.85 63.12 0.06 36.82 0.79 2.63 59.59 34.14 2.75 0.02 0.02 0.07 38 G C T 56.68 2.48 12.00 16.12 95.52 -109.99 78.91 11.55 98.95 0.03 1.03 3.24 5.81 90.10 0.58 0.25 0.00 0.01 0.01 39 Q C C 117.96 2.72 13.44 17.30 97.83 124.15 -84.39 -13.99 98.52 0.23 1.25 65.45 30.09 2.94 0.47 0.77 0.00 0.08 0.21 40 L C C 45.51 15.16 7.70 22.03 115.66 58.55 -108.35 113.75 97.66 0.47 1.87 76.37 16.82 4.31 0.58 1.26 0.00 0.14 0.51 41 S C C 88.70 1.76 15.64 17.67 98.24 -167.17 -83.90 -21.90 98.88 0.13 0.98 62.38 33.52 3.04 0.40 0.49 0.00 0.04 0.12 42 Q C C 92.88 4.91 13.15 19.65 109.32 64.65 -106.65 99.60 98.22 0.26 1.51 75.67 20.68 1.83 1.06 0.40 0.00 0.06 0.32 43 N H H 94.27 6.45 11.73 20.16 93.99 -169.18 -65.02 -31.67 21.71 0.07 78.22 7.03 3.92 10.59 74.39 3.98 0.01 0.02 0.05 44 H H H 136.70 1.34 16.83 17.23 92.16 58.04 -65.27 -37.42 10.27 0.03 89.70 1.91 1.26 6.59 87.36 2.85 0.01 0.01 0.02 45 K H H 88.73 6.76 16.67 24.48 92.27 51.40 -66.22 -40.13 3.43 0.02 96.55 1.25 0.43 1.61 94.52 2.17 0.00 0.01 0.00 46 I H H 24.88 16.56 13.29 30.20 91.92 51.56 -63.69 -42.59 0.84 0.00 99.16 0.27 0.09 0.38 98.77 0.49 0.00 0.00 0.00 47 R H H 125.98 3.14 21.32 24.14 91.56 50.89 -63.62 -41.36 0.47 0.00 99.53 0.11 0.04 0.23 99.42 0.20 0.00 0.00 0.00 48 D H H 74.29 3.06 21.82 24.24 91.75 49.83 -64.64 -41.65 0.48 0.00 99.52 0.08 0.03 0.28 99.48 0.13 0.00 0.00 0.00 49 L H H 19.96 16.76 16.47 33.77 92.07 50.00 -64.25 -41.99 0.42 0.00 99.58 0.07 0.03 0.24 99.59 0.08 0.00 0.00 0.00 50 K H H 88.97 10.96 20.09 31.03 91.71 51.78 -62.55 -41.54 0.32 0.00 99.68 0.05 0.02 0.17 99.72 0.04 0.00 0.00 0.00 51 R H H 138.97 1.89 23.67 23.93 91.91 49.25 -64.65 -41.36 0.14 0.00 99.86 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 52 Q H H 61.80 9.98 21.07 31.49 91.96 49.45 -64.99 -41.50 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 53 I H H 19.87 18.74 17.73 36.43 91.66 50.06 -63.44 -42.72 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 54 A H H 51.37 4.24 22.98 27.07 91.16 50.92 -62.73 -41.73 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.01 0.00 0.00 0.00 55 R H H 119.96 3.62 23.84 27.14 91.49 49.87 -64.44 -41.72 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 56 L H H 18.16 18.22 18.02 36.53 91.55 50.28 -64.17 -42.72 0.07 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 57 L H H 64.60 11.15 21.11 32.29 91.40 50.71 -62.93 -41.45 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 58 T H H 70.19 2.50 23.35 24.39 91.62 49.71 -63.78 -42.06 0.16 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 59 V H H 38.82 9.00 20.00 30.31 91.85 49.03 -64.43 -42.73 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 60 L H H 26.25 14.83 16.80 32.45 91.69 49.64 -63.48 -42.30 0.22 0.00 99.78 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 61 N H H 76.51 3.63 19.92 23.67 91.70 50.15 -63.96 -40.96 0.54 0.00 99.46 0.08 0.03 0.31 99.50 0.08 0.00 0.00 0.00 62 E H H 95.36 2.66 18.22 20.70 91.85 50.31 -64.59 -40.86 0.95 0.00 99.04 0.15 0.07 0.56 99.07 0.14 0.00 0.00 0.00 63 K H H 79.28 7.19 14.43 23.16 92.17 50.20 -65.58 -40.19 2.05 0.01 97.94 0.48 0.20 1.15 97.85 0.32 0.00 0.00 0.00 64 R H H 123.25 4.45 13.86 19.71 92.21 50.82 -65.22 -39.61 4.68 0.02 95.31 1.07 0.45 2.74 95.14 0.59 0.00 0.01 0.01 65 R H H 156.87 1.47 13.05 14.68 92.58 50.60 -66.51 -37.55 10.69 0.03 89.27 2.40 1.18 6.47 88.92 0.99 0.00 0.01 0.02 66 Q H H 127.13 1.82 11.50 14.10 93.74 52.64 -70.30 -29.85 25.53 0.07 74.40 5.21 2.74 16.47 74.37 1.13 0.01 0.02 0.05 67 N C H 119.08 1.92 10.43 13.44 97.68 51.15 -83.19 -7.40 56.09 0.10 43.81 22.20 1.13 28.77 46.87 0.94 0.00 0.03 0.07 68 A C C 71.03 4.29 10.51 16.48 101.35 82.48 -74.21 -4.63 99.94 0.01 0.05 99.77 0.07 0.12 0.04 0.00 0.00 0.00 0.00