# 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 V C C 70.18 8.71 14.05 24.04 119.59 -160.79 -108.16 132.15 99.39 0.60 0.00 99.48 0.08 0.02 0.00 0.00 0.00 0.39 0.02 1 I E E 83.89 7.23 12.94 21.74 119.12 -162.90 -107.95 130.30 47.88 52.01 0.12 46.53 0.90 0.14 0.05 0.05 0.00 48.79 3.52 2 V E E 80.47 5.52 10.67 18.15 122.57 -166.32 -117.54 142.81 13.50 86.33 0.17 11.64 0.78 0.08 0.17 0.05 0.00 60.90 26.36 3 T C C 62.54 5.28 9.33 16.56 121.89 -137.29 -88.70 165.98 78.65 21.21 0.15 77.96 1.20 0.19 0.05 0.07 0.00 17.76 2.77 4 R C T 200.05 0.82 10.08 11.19 91.39 -97.40 -63.76 -24.14 98.03 1.09 0.88 1.12 5.58 91.55 0.06 0.72 0.00 0.82 0.16 5 S C T 89.17 1.01 10.00 11.08 93.97 56.06 -86.98 -2.92 99.15 0.14 0.71 0.64 4.85 93.73 0.04 0.62 0.00 0.08 0.03 6 G C S 49.15 2.87 10.73 15.19 97.88 -102.42 86.98 5.33 98.16 0.95 0.90 15.25 79.16 3.84 0.07 0.82 0.00 0.52 0.34 7 A C C 56.63 3.97 10.62 16.65 119.25 135.17 -79.16 150.24 90.80 9.06 0.14 77.73 12.56 0.66 0.04 0.12 0.00 6.68 2.20 8 I E B 105.13 5.30 10.61 17.91 115.29 -123.31 -96.16 130.64 7.44 92.46 0.10 5.71 0.69 0.03 0.11 0.02 0.00 35.63 57.80 9 L C C 83.22 6.83 9.93 18.60 120.65 -156.36 -100.43 143.98 70.39 29.54 0.08 63.14 6.10 0.34 0.02 0.08 0.00 28.96 1.37 10 P C C 94.44 2.85 13.05 17.12 114.86 -100.26 -66.87 151.15 91.06 8.85 0.09 63.84 26.59 0.78 0.02 0.09 0.00 7.99 0.69 11 K C C 154.76 2.45 11.58 15.85 113.43 -97.68 -72.02 138.52 98.60 1.34 0.05 90.51 8.00 0.21 0.01 0.03 0.00 0.79 0.45 12 P C C 69.32 9.52 7.58 17.95 115.32 -107.84 -66.86 149.74 98.18 1.60 0.22 92.59 4.79 0.87 0.05 0.16 0.00 1.03 0.50 13 V C C 112.58 1.95 11.83 14.91 114.41 -114.66 -82.23 136.86 87.77 11.81 0.41 82.45 4.10 0.83 0.15 0.26 0.00 7.76 4.45 14 K C C 151.49 2.93 9.40 14.58 114.76 -129.94 -88.86 130.09 86.18 13.19 0.63 78.95 6.14 0.82 0.27 0.35 0.00 9.34 4.13 15 M C C 102.22 4.48 8.08 14.53 120.69 -166.61 -109.60 144.43 93.82 4.83 1.35 85.14 7.12 1.57 0.62 0.65 0.00 3.12 1.78 16 S C T 97.77 0.78 10.23 11.01 97.13 -115.40 -68.81 -22.22 93.12 1.59 5.29 29.35 27.32 37.08 2.42 2.36 0.00 0.92 0.54 17 F C T 155.13 1.60 9.30 11.73 101.11 59.25 -87.98 7.63 89.59 1.09 9.32 29.65 22.65 37.88 5.90 2.79 0.00 0.44 0.69 18 G C H 35.27 4.25 9.47 15.47 107.45 112.80 -49.48 -68.59 58.11 1.31 40.58 31.16 19.93 7.19 38.67 1.85 0.02 0.38 0.79 19 L H H 114.22 1.79 11.22 13.62 94.06 37.46 -65.87 -37.72 4.99 0.05 94.96 1.62 0.95 2.45 94.27 0.66 0.02 0.02 0.02 20 L H H 107.35 1.44 12.35 13.82 92.45 53.43 -64.97 -40.17 0.91 0.01 99.08 0.23 0.11 0.48 98.78 0.40 0.00 0.00 0.00 21 R H H 125.26 2.84 12.39 16.36 92.39 50.99 -65.60 -39.48 0.36 0.00 99.64 0.08 0.03 0.19 99.32 0.37 0.00 0.00 0.00 22 V H H 77.98 3.32 12.55 17.21 92.19 50.39 -65.19 -41.31 0.25 0.00 99.75 0.04 0.02 0.14 99.55 0.24 0.00 0.00 0.00 23 F H H 126.95 1.78 14.37 16.06 92.22 49.90 -65.72 -40.28 0.33 0.00 99.67 0.03 0.02 0.24 99.40 0.32 0.00 0.00 0.00 24 S H H 63.06 2.24 14.06 16.71 92.40 50.44 -66.24 -39.81 2.20 0.00 97.79 0.05 0.05 2.24 96.82 0.85 0.00 0.00 0.00 25 I H H 92.74 3.17 13.77 17.89 93.94 49.17 -67.64 -39.13 13.69 0.01 86.31 0.11 0.25 14.69 83.90 1.04 0.01 0.00 0.00 26 V H H 81.34 2.83 14.51 17.91 93.17 49.48 -67.01 -39.97 10.06 0.01 89.93 0.20 0.50 9.61 89.12 0.54 0.01 0.00 0.00 27 I H H 93.27 2.17 15.05 17.26 92.47 50.73 -64.89 -41.91 2.40 0.01 97.59 0.77 0.36 1.07 97.12 0.67 0.00 0.00 0.00 28 P H H 70.36 2.90 14.65 18.36 91.88 50.76 -64.17 -40.58 0.82 0.00 99.17 0.26 0.05 0.43 98.61 0.65 0.00 0.00 0.00 29 F H H 118.54 2.82 14.74 18.30 92.09 49.94 -65.18 -40.40 0.23 0.01 99.76 0.05 0.02 0.14 99.15 0.65 0.00 0.01 0.00 30 L H H 100.25 2.29 15.62 17.87 92.18 49.69 -65.29 -40.89 0.23 0.01 99.76 0.03 0.02 0.15 99.56 0.23 0.00 0.01 0.00 31 Y H H 135.77 2.02 16.12 17.85 92.45 48.73 -65.70 -41.34 0.45 0.03 99.52 0.07 0.05 0.32 99.43 0.11 0.00 0.02 0.00 32 V H H 79.12 2.92 15.89 19.23 92.22 49.35 -64.77 -42.04 0.29 0.01 99.70 0.05 0.03 0.17 99.70 0.04 0.00 0.00 0.00 33 G H H 34.00 3.78 15.30 20.13 91.93 50.57 -63.40 -41.57 0.36 0.00 99.64 0.07 0.02 0.21 99.65 0.05 0.00 0.00 0.00 34 T H H 70.59 2.90 16.43 19.47 92.04 50.11 -65.24 -40.89 0.34 0.00 99.65 0.04 0.02 0.22 99.66 0.05 0.00 0.00 0.00 35 L H H 89.27 2.55 16.92 19.41 92.25 50.22 -65.01 -41.42 0.50 0.00 99.49 0.06 0.03 0.35 99.47 0.08 0.00 0.00 0.00 36 I H H 88.06 3.02 16.33 19.75 92.26 49.48 -64.60 -41.81 1.03 0.01 98.96 0.19 0.10 0.68 98.87 0.15 0.00 0.01 0.00 37 S H H 56.10 3.72 15.26 19.84 91.96 51.21 -64.14 -40.64 2.02 0.02 97.96 0.49 0.20 1.27 97.73 0.29 0.00 0.01 0.01 38 K H H 124.27 2.27 16.21 18.57 92.21 50.44 -65.15 -40.19 1.45 0.01 98.54 0.24 0.14 1.01 98.34 0.26 0.00 0.00 0.00 39 N H H 92.99 2.25 16.55 18.65 92.53 49.57 -65.47 -40.71 1.27 0.01 98.72 0.20 0.13 0.90 98.41 0.36 0.00 0.00 0.00 40 F H H 112.20 2.63 15.86 18.76 92.48 49.99 -64.94 -41.38 1.15 0.00 98.85 0.16 0.09 0.79 98.51 0.44 0.00 0.00 0.00 41 A H H 50.18 3.43 14.06 18.85 91.99 51.24 -63.82 -40.82 1.26 0.00 98.74 0.16 0.08 0.88 98.20 0.68 0.00 0.00 0.00 42 A H H 58.65 2.25 14.74 17.33 92.19 51.39 -64.54 -39.99 5.15 0.01 94.84 0.27 0.23 4.53 93.48 1.48 0.01 0.00 0.00 43 L H H 94.60 2.01 14.15 16.31 92.77 50.67 -66.28 -39.18 8.67 0.02 91.31 0.69 0.59 7.17 89.40 2.11 0.02 0.01 0.01 44 L H H 85.00 3.19 11.43 16.10 93.56 52.56 -66.64 -39.04 10.28 0.29 89.43 3.65 1.86 5.49 83.58 5.07 0.06 0.15 0.13 45 E H H 121.55 2.05 11.76 14.60 94.00 53.01 -66.82 -37.11 14.78 0.56 84.66 5.12 1.90 8.20 77.99 6.20 0.05 0.31 0.22 46 E H H 138.36 1.20 11.67 12.89 93.64 50.75 -69.30 -31.85 19.38 0.42 80.20 3.88 2.54 13.56 74.34 5.16 0.10 0.21 0.21 47 H C H 121.93 2.61 10.08 13.86 99.46 43.10 -96.87 4.99 51.37 0.65 47.99 9.05 8.78 33.79 44.09 3.52 0.09 0.25 0.44 48 D C T 115.73 2.16 10.30 14.01 98.47 -130.02 23.88 35.40 85.84 0.98 13.19 22.30 14.60 49.37 8.40 4.32 0.00 0.47 0.54 49 I C T 115.87 2.59 9.80 13.83 98.98 124.08 -86.26 -19.22 89.41 2.31 8.27 19.82 29.58 40.64 3.34 4.38 0.01 1.21 1.02 50 F C C 129.22 4.11 8.60 14.43 115.37 45.81 -111.30 107.25 79.47 13.00 7.53 30.37 22.33 28.10 2.50 4.47 0.06 6.64 5.51 51 V C C 101.48 3.06 8.86 13.97 116.05 107.94 -108.46 123.87 96.49 3.43 0.08 94.15 2.41 0.28 0.03 0.03 0.00 2.42 0.68 52 P C C 94.42 3.67 11.91 17.38 111.48 -113.03 -68.38 145.30 99.95 0.04 0.00 99.88 0.07 0.02 0.00 0.00 0.00 0.02 0.00