# 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 118.25 4.94 9.86 16.48 112.66 -151.75 -90.45 129.55 99.90 0.07 0.03 99.83 0.08 0.04 0.01 0.00 0.00 0.03 0.01 1 K C C 150.88 2.01 8.92 12.60 114.46 -150.85 -91.41 132.36 93.56 2.74 3.70 90.27 0.95 2.97 2.51 0.70 0.00 1.47 1.13 2 R C C 171.42 2.07 8.08 11.95 113.96 -131.67 -88.97 134.11 88.56 3.62 7.82 67.02 16.63 4.57 6.28 1.90 0.00 1.71 1.88 3 R C C 153.36 2.78 8.63 13.25 116.28 -125.13 -88.22 138.69 84.21 1.61 14.19 62.35 18.30 3.33 12.35 2.28 0.00 0.74 0.64 4 P C C 84.26 4.48 8.94 15.26 110.05 -106.77 -66.70 145.87 73.25 1.19 25.55 62.06 5.13 5.97 21.03 4.69 0.00 0.66 0.45 5 R C C 154.29 2.66 9.97 14.02 103.26 -116.08 -76.54 -5.81 58.59 1.50 39.91 44.22 7.11 7.42 32.08 7.73 0.00 0.76 0.68 6 K H H 131.42 2.32 10.86 14.20 101.43 -109.13 -74.73 -19.32 47.93 1.73 50.34 32.73 7.87 7.83 39.95 9.98 0.01 0.96 0.67 7 W H H 132.81 5.06 8.80 15.53 97.79 59.34 -73.41 -29.84 43.30 1.98 54.72 28.59 7.14 8.11 43.09 11.18 0.02 1.12 0.75 8 K H H 131.16 2.65 10.58 14.48 96.44 58.06 -71.98 -28.65 44.44 2.00 53.56 27.41 7.82 9.98 43.73 9.15 0.02 1.15 0.74 9 K C H 144.13 1.68 10.63 12.97 100.00 52.07 -77.16 -17.85 49.83 1.64 48.53 26.52 10.34 13.77 40.25 7.53 0.03 0.83 0.72 10 K C H 136.49 2.54 9.94 13.77 101.36 57.54 -83.56 -5.66 57.53 0.90 41.56 19.25 12.64 26.04 35.38 5.74 0.04 0.42 0.48 11 G C T 46.42 3.37 10.44 15.17 105.91 -2.20 12.59 -10.62 64.14 0.67 35.19 21.51 12.93 30.34 28.42 6.08 0.02 0.29 0.40 12 R C H 161.26 2.18 11.04 14.20 101.55 59.31 -82.07 -1.62 49.25 1.84 48.91 28.46 9.74 11.84 41.37 6.89 0.02 0.98 0.69 13 M H H 104.78 3.78 10.38 15.75 106.76 68.32 -85.06 83.21 45.14 3.47 51.40 30.73 7.01 8.22 45.22 5.57 0.02 2.29 0.94 14 R H H 135.35 3.20 12.04 16.45 103.62 70.45 -79.92 13.26 35.53 2.29 62.18 27.02 4.14 5.25 58.39 3.11 0.00 1.54 0.54 15 W H H 139.15 4.21 11.51 17.10 97.19 55.10 -70.23 -34.65 10.09 0.32 89.59 6.71 1.43 2.53 87.49 1.56 0.00 0.20 0.08 16 K H H 125.42 1.95 14.09 16.12 94.07 54.08 -66.68 -39.15 4.29 0.09 95.62 2.05 0.59 1.77 94.43 1.08 0.00 0.05 0.02 17 W H H 128.86 2.83 13.63 17.24 93.27 51.50 -66.93 -40.66 2.27 0.04 97.70 0.92 0.30 1.06 96.98 0.69 0.00 0.02 0.01 18 I H H 74.11 4.77 12.98 19.37 92.78 50.95 -64.65 -41.90 0.78 0.01 99.20 0.28 0.10 0.35 99.07 0.19 0.00 0.00 0.00 19 K H H 109.92 2.60 14.81 17.87 92.15 50.49 -64.74 -41.02 0.55 0.00 99.45 0.16 0.06 0.27 99.41 0.11 0.00 0.00 0.00 20 K H H 112.21 1.74 15.59 16.78 92.08 50.05 -65.29 -41.14 0.46 0.00 99.54 0.11 0.04 0.24 99.53 0.07 0.00 0.00 0.00 21 R H H 118.36 2.86 15.00 18.42 92.39 49.95 -65.28 -40.90 0.39 0.00 99.61 0.08 0.03 0.21 99.63 0.05 0.00 0.00 0.00 22 I H H 79.92 3.81 14.00 18.97 92.12 50.17 -64.43 -41.58 0.29 0.00 99.71 0.05 0.02 0.15 99.73 0.04 0.00 0.00 0.00 23 R H H 134.04 1.69 15.58 16.81 92.03 50.20 -64.50 -41.12 0.31 0.00 99.69 0.05 0.02 0.17 99.72 0.04 0.00 0.00 0.00 24 R H H 130.93 1.76 15.53 16.84 92.18 49.61 -65.15 -40.68 0.38 0.00 99.62 0.05 0.02 0.22 99.66 0.04 0.00 0.00 0.00 25 L H H 78.53 2.97 14.32 18.19 92.06 50.00 -64.68 -41.30 0.40 0.00 99.60 0.06 0.02 0.22 99.66 0.04 0.00 0.00 0.00 26 K H H 106.91 2.54 14.90 17.85 92.10 50.28 -64.47 -40.94 0.53 0.00 99.46 0.09 0.04 0.28 99.54 0.05 0.00 0.00 0.00 27 K H H 107.46 2.07 14.62 16.85 92.13 50.41 -64.85 -40.83 0.81 0.00 99.18 0.14 0.06 0.44 99.28 0.08 0.00 0.00 0.00 28 Q H H 95.76 1.88 14.55 16.37 92.12 50.79 -64.87 -40.68 1.30 0.01 98.69 0.29 0.11 0.68 98.78 0.14 0.00 0.00 0.00 29 R H H 121.27 2.21 13.22 15.95 92.36 50.47 -65.17 -40.55 1.95 0.02 98.03 0.53 0.21 1.00 97.99 0.25 0.00 0.00 0.00 30 R H H 118.00 2.60 11.49 15.28 92.72 51.16 -65.10 -40.44 3.14 0.04 96.82 1.05 0.38 1.59 96.38 0.55 0.01 0.02 0.01 31 K H H 138.07 1.43 11.59 13.37 92.86 51.09 -65.55 -39.47 4.49 0.04 95.47 1.15 0.42 2.67 94.50 1.21 0.01 0.02 0.01 32 E H H 144.99 1.00 10.87 11.84 92.97 50.98 -68.46 -32.12 11.96 0.06 87.98 1.28 0.93 9.47 86.63 1.61 0.02 0.03 0.03 33 R C T 158.43 1.68 9.73 12.22 95.60 47.40 -86.70 -3.42 65.65 0.08 34.27 1.33 2.37 60.94 33.31 1.94 0.01 0.03 0.07 34 G C T 59.53 1.41 10.61 12.91 97.43 -113.26 72.90 15.15 94.38 0.09 5.53 4.79 3.32 86.43 4.63 0.76 0.00 0.04 0.05 35 L C C 104.90 3.39 9.11 14.21 102.34 126.29 -88.13 6.40 97.95 0.71 1.34 91.73 2.44 3.98 0.77 0.34 0.00 0.29 0.46 36 I C C 93.63 7.46 10.73 19.28 114.72 93.84 -95.65 124.98 99.94 0.05 0.01 99.80 0.13 0.04 0.00 0.00 0.00 0.03 0.01