# 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 M C C 123.96 3.58 10.19 15.59 118.71 -155.30 -101.60 137.57 99.89 0.11 0.01 99.80 0.11 0.02 0.00 0.00 0.00 0.05 0.01 1 P C C 106.40 2.10 8.98 12.67 114.04 -112.55 -75.96 144.28 89.04 10.75 0.21 88.69 0.67 0.35 0.09 0.06 0.00 9.15 0.98 2 I E E 124.95 3.11 6.30 11.39 118.52 -142.37 -105.94 131.21 41.35 58.14 0.51 36.43 4.05 0.55 0.31 0.25 0.00 55.56 2.85 3 E E E 149.29 1.21 8.68 11.11 116.84 -152.52 -104.27 127.14 28.14 71.24 0.62 26.73 1.20 0.27 0.42 0.22 0.00 69.91 1.24 4 I E E 112.52 4.69 6.07 12.52 116.90 -158.36 -105.74 125.30 32.36 65.62 2.03 30.53 1.23 0.51 1.21 0.60 0.00 65.14 0.78 5 K E E 165.83 0.83 9.82 10.75 103.86 -171.32 -100.28 -19.51 40.49 56.18 3.34 31.78 6.72 2.08 1.59 1.34 0.01 55.87 0.61 6 E E E 142.05 1.59 8.56 11.38 122.60 6.02 -126.59 133.51 36.79 58.90 4.31 30.95 4.00 1.86 1.91 1.79 0.01 58.76 0.72 7 L E E 122.35 3.04 6.81 12.00 118.87 -161.22 -112.17 129.85 39.85 56.88 3.28 33.23 4.68 1.66 1.79 1.24 0.01 56.61 0.78 8 H E E 148.96 1.45 8.91 11.67 118.57 -163.08 -114.39 127.30 30.46 67.27 2.26 24.95 3.99 1.48 1.30 0.81 0.00 66.77 0.70 9 I E E 115.78 3.91 7.19 13.42 119.12 -164.18 -114.42 127.72 27.82 70.67 1.50 24.77 1.88 0.54 0.98 0.42 0.00 70.93 0.47 10 K E E 153.28 1.49 10.39 13.17 119.69 -165.18 -115.66 132.84 23.80 74.85 1.35 21.30 1.31 0.45 0.90 0.33 0.00 75.28 0.44 11 I E E 107.68 5.16 8.07 15.60 123.59 -169.15 -124.53 137.28 20.70 77.95 1.35 18.87 1.11 0.37 0.99 0.31 0.00 77.86 0.48 12 T E E 94.42 2.45 11.95 15.83 120.08 -162.66 -114.89 132.30 18.59 80.37 1.04 17.49 0.86 0.31 0.90 0.26 0.00 79.28 0.90 13 V E E 86.16 6.49 8.49 16.85 116.92 -159.18 -107.33 127.66 33.32 64.56 2.13 29.42 2.93 0.90 1.74 0.63 0.00 62.72 1.67 14 D C C 98.27 3.05 11.04 15.54 117.48 -170.50 -108.70 132.84 68.56 28.99 2.45 53.60 11.25 2.90 1.51 1.07 0.00 28.14 1.52 15 D C C 108.17 3.24 9.88 14.75 104.52 -151.63 -87.31 32.72 82.13 9.58 8.29 50.54 22.10 10.04 3.75 4.42 0.01 7.66 1.49 16 S C C 80.24 2.70 9.82 14.09 105.51 98.41 -83.96 54.14 82.57 4.09 13.34 47.09 19.01 17.04 5.26 7.77 0.01 2.45 1.37 17 N C C 115.73 2.86 9.49 13.92 106.58 76.78 -87.52 58.92 79.22 3.93 16.85 42.68 19.37 17.95 6.03 10.16 0.01 2.06 1.74 18 N C C 109.76 3.18 9.16 14.03 108.33 98.68 -91.17 100.96 80.51 3.78 15.71 46.71 17.93 16.22 5.71 9.63 0.01 1.92 1.88 19 A C C 82.39 2.82 9.24 13.71 107.52 125.74 -84.30 87.67 83.73 3.08 13.20 39.95 19.98 24.65 4.35 8.05 0.01 1.50 1.50 20 G C C 55.45 2.52 10.01 14.05 108.19 30.12 -74.05 22.08 88.57 2.97 8.47 43.52 21.12 24.46 2.31 5.76 0.00 1.50 1.33 21 R C C 169.49 2.24 9.54 13.32 108.83 131.55 -90.82 85.38 88.24 4.23 7.53 51.32 22.01 15.11 2.50 4.83 0.00 2.05 2.17 22 G C C 56.75 2.24 10.79 14.32 109.44 8.76 -57.76 135.14 91.48 2.94 5.59 46.90 25.09 19.78 1.50 3.94 0.00 1.50 1.30 23 G C C 51.84 3.33 10.91 15.83 112.43 -3.81 23.52 161.87 89.75 3.29 6.96 50.25 23.51 16.25 2.18 4.64 0.00 1.70 1.46 24 A C C 74.92 4.13 10.62 16.40 110.60 -133.64 -87.07 122.54 85.20 4.90 9.89 56.11 18.28 10.73 4.77 5.11 0.00 2.53 2.47 25 S C C 71.42 4.45 10.94 16.94 110.88 -135.18 -88.23 129.73 86.63 3.04 10.33 61.97 14.85 9.60 6.55 3.93 0.00 1.59 1.52 26 S C C 74.93 4.07 11.11 16.68 104.79 -148.17 -83.22 26.68 79.62 1.58 18.80 52.81 14.70 11.71 15.08 4.12 0.00 0.71 0.87 27 G C H 47.11 3.51 12.24 16.73 102.15 45.61 -43.49 -33.28 59.66 0.85 39.49 32.94 14.21 13.03 34.53 4.49 0.01 0.33 0.46 28 E H H 123.88 2.66 12.44 15.94 98.31 53.46 -73.73 -31.31 37.25 0.59 62.16 23.14 6.87 8.47 57.46 3.54 0.01 0.26 0.25 29 D H H 84.36 3.48 12.87 17.39 98.51 53.86 -72.28 -32.51 24.34 0.43 75.24 17.25 3.21 5.27 71.13 2.79 0.00 0.21 0.15 30 K H H 110.18 5.94 12.16 19.35 94.06 57.23 -65.70 -37.62 8.82 0.14 91.05 5.30 1.34 2.78 88.85 1.60 0.00 0.07 0.04 31 Q H H 114.56 2.25 14.85 17.46 92.86 52.72 -65.21 -39.37 4.10 0.05 95.85 2.23 0.59 1.46 94.91 0.78 0.00 0.03 0.01 32 Q H H 106.59 1.85 15.91 17.35 92.32 50.98 -65.25 -40.93 1.82 0.02 98.16 0.94 0.24 0.65 97.84 0.30 0.00 0.01 0.00 33 L H H 76.37 4.47 14.87 20.59 92.23 50.34 -64.52 -42.24 0.60 0.01 99.40 0.25 0.06 0.24 99.34 0.11 0.00 0.00 0.00 34 V H H 68.85 4.92 15.29 21.49 91.99 49.57 -64.03 -42.32 0.25 0.00 99.74 0.08 0.02 0.11 99.74 0.05 0.00 0.00 0.00 35 A H H 57.16 2.49 16.97 19.33 91.63 50.32 -63.70 -41.66 0.18 0.00 99.82 0.04 0.01 0.09 99.83 0.02 0.00 0.00 0.00 36 Q H H 97.43 2.20 17.51 19.21 91.99 50.00 -64.84 -41.39 0.16 0.00 99.84 0.03 0.01 0.08 99.86 0.02 0.00 0.00 0.00 37 C H H 55.63 4.45 15.46 21.19 92.08 50.17 -64.19 -42.01 0.13 0.00 99.87 0.02 0.01 0.07 99.89 0.01 0.00 0.00 0.00 38 V H H 73.55 3.75 16.10 20.64 91.87 49.92 -63.90 -41.90 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 39 E H H 109.16 1.84 17.19 18.21 91.91 50.46 -64.42 -41.41 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 40 Q H H 97.79 2.30 16.35 18.57 91.94 50.14 -64.50 -41.56 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 41 V H H 71.35 3.90 14.81 19.65 92.13 49.89 -64.18 -42.29 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 42 L H H 87.94 2.44 15.22 17.98 91.66 49.95 -64.40 -40.72 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 43 D H H 84.83 1.69 15.38 16.54 91.86 50.82 -64.67 -40.55 0.48 0.00 99.52 0.07 0.03 0.29 99.55 0.06 0.00 0.00 0.00 44 V H H 76.21 2.60 13.79 17.08 92.31 49.99 -64.70 -41.33 0.96 0.00 99.04 0.16 0.07 0.60 99.04 0.14 0.00 0.00 0.00 45 L H H 88.73 2.57 12.46 15.94 92.43 50.33 -65.18 -40.04 2.62 0.02 97.37 0.57 0.25 1.58 97.17 0.40 0.00 0.01 0.00 46 K H H 130.52 1.43 12.39 13.84 93.11 51.35 -66.70 -37.25 9.30 0.03 90.66 1.32 0.85 6.54 90.54 0.72 0.01 0.01 0.02 47 S H H 70.26 1.82 10.95 13.39 94.31 53.19 -71.62 -30.77 25.38 0.11 74.50 4.73 2.92 17.05 73.95 1.23 0.02 0.04 0.06 48 Q H H 118.98 2.29 8.98 12.60 97.01 60.28 -74.02 -24.36 41.93 0.47 57.59 15.68 9.41 17.72 53.81 2.91 0.03 0.17 0.27 49 K C H 156.17 1.29 8.85 11.01 99.63 62.98 -78.08 -9.17 56.28 0.85 42.87 24.17 9.67 23.53 37.53 4.26 0.02 0.34 0.47 50 E C C 143.64 1.51 7.46 10.28 102.66 75.84 -81.28 11.86 74.60 0.58 24.83 53.52 2.10 18.39 22.88 2.48 0.00 0.25 0.37 51 R C C 165.26 2.31 8.97 12.90 105.46 84.80 -83.35 66.79 99.83 0.05 0.12 99.57 0.14 0.17 0.08 0.01 0.00 0.02 0.01