# 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 139.92 2.26 9.06 12.96 114.55 -145.88 -90.51 134.63 99.91 0.07 0.02 99.82 0.09 0.04 0.01 0.00 0.00 0.03 0.01 1 A C C 88.05 1.93 6.81 10.62 114.39 -139.23 -88.18 135.62 94.33 3.01 2.66 91.48 0.90 2.76 1.02 0.89 0.00 1.57 1.37 2 K C C 168.79 0.95 7.30 9.35 114.68 -144.81 -94.47 133.25 91.53 3.70 4.77 63.79 15.49 12.26 1.37 3.34 0.00 2.14 1.61 3 G C C 55.20 2.25 6.68 10.83 119.79 -139.58 -103.83 163.67 91.22 3.12 5.66 60.67 17.81 12.75 1.37 4.34 0.00 1.86 1.20 4 K C C 165.42 1.16 8.23 10.51 113.40 -116.86 -95.72 135.96 88.20 4.20 7.60 64.62 16.03 7.45 2.45 5.12 0.00 2.30 2.03 5 R C C 175.01 2.02 7.38 11.20 115.00 -135.56 -91.19 131.39 87.80 4.42 7.78 67.46 13.04 7.20 2.33 5.49 0.00 2.61 1.87 6 T C C 105.71 1.91 8.35 11.77 112.78 -162.60 -98.36 122.69 89.96 3.56 6.49 62.81 16.99 10.14 1.75 4.75 0.00 2.07 1.48 7 F C C 148.02 2.98 7.54 12.46 114.99 -150.11 -98.20 125.27 91.51 3.63 4.86 62.38 22.03 6.83 1.62 3.22 0.00 1.63 2.31 8 Q C C 123.65 2.59 9.35 13.79 116.20 -166.88 -106.46 125.41 97.70 1.13 1.17 80.05 16.56 1.10 0.74 0.38 0.00 0.46 0.72 9 P C C 90.70 4.02 9.12 15.16 108.15 -122.39 -65.75 144.99 87.28 0.80 11.92 51.53 9.80 26.24 7.53 4.04 0.00 0.42 0.44 10 N C C 101.99 3.62 10.17 15.34 108.36 -118.51 -87.54 90.09 83.93 0.93 15.14 49.13 10.86 24.11 10.76 4.15 0.00 0.40 0.58 11 N C H 91.19 4.75 10.01 16.42 100.43 106.81 -85.06 -4.87 55.27 1.08 43.65 38.28 11.99 5.36 40.56 2.86 0.00 0.37 0.57 12 R H H 151.88 2.40 11.72 15.24 94.13 92.57 -66.14 -37.51 16.11 0.30 83.59 9.36 3.08 4.37 80.81 2.14 0.01 0.14 0.10 13 R H H 142.95 1.71 13.65 15.38 92.86 52.71 -66.38 -40.07 8.42 0.28 91.30 4.55 1.39 2.94 88.65 2.22 0.01 0.17 0.07 14 R H H 105.75 4.87 12.48 18.99 92.90 51.18 -66.33 -40.39 4.94 0.22 94.84 2.58 0.81 1.90 92.29 2.22 0.01 0.14 0.04 15 A H H 44.69 6.94 11.39 20.12 92.38 51.99 -65.38 -39.33 4.29 0.17 95.54 1.88 0.64 1.96 93.12 2.23 0.02 0.11 0.04 16 R H H 157.47 1.71 14.75 16.48 93.88 49.17 -69.13 -36.98 6.50 0.22 93.29 1.94 0.91 3.76 90.73 2.42 0.05 0.12 0.07 17 V H H 93.14 2.34 14.85 17.29 98.61 40.23 -83.21 -38.61 12.99 0.22 86.79 2.20 1.83 8.97 84.78 1.92 0.09 0.10 0.11 18 H H H 98.03 4.94 13.49 19.71 101.74 30.17 -98.09 -20.58 35.25 0.51 64.24 6.92 8.19 20.71 62.08 1.51 0.09 0.17 0.34 19 G C H 26.63 5.90 14.53 22.03 108.83 -113.52 5.90 -125.03 50.95 0.60 48.46 26.25 11.12 13.88 44.88 3.29 0.01 0.23 0.33 20 F H H 100.26 7.32 13.18 21.73 94.10 -14.00 -66.01 -36.13 11.98 0.15 87.87 3.16 2.22 7.05 81.61 5.74 0.07 0.07 0.07 21 R H H 139.04 2.79 14.92 18.54 92.05 54.27 -64.63 -39.50 5.03 0.07 94.90 1.14 0.68 3.07 87.83 7.18 0.02 0.04 0.02 22 L H H 84.66 3.14 15.35 19.18 92.54 50.21 -66.13 -39.23 4.10 0.06 95.84 0.83 0.47 2.54 85.88 10.21 0.01 0.04 0.01 23 R H H 98.22 6.66 13.24 21.49 93.34 51.48 -69.94 -30.94 8.05 0.08 91.88 1.13 0.85 5.66 82.28 9.97 0.04 0.04 0.03 24 M H H 82.49 7.52 11.11 20.28 95.57 57.40 -80.20 -10.59 37.58 0.19 62.23 4.10 2.79 29.91 54.67 8.25 0.05 0.08 0.14 25 R C T 172.66 1.39 14.65 15.85 93.69 74.17 -79.00 -17.00 73.47 0.35 26.18 9.24 11.11 52.65 21.65 4.91 0.03 0.12 0.30 26 T C S 64.48 3.84 11.00 16.71 123.12 77.70 -99.29 153.85 96.24 1.27 2.49 12.73 82.07 1.07 2.45 0.17 0.00 0.21 1.30 27 R H H 179.33 1.16 12.90 14.27 92.23 -118.92 -59.69 -37.65 4.78 0.01 95.21 0.49 1.08 2.83 95.07 0.53 0.01 0.00 0.00 28 A H H 72.01 1.55 14.29 15.60 91.85 52.62 -64.06 -40.24 3.39 0.00 96.60 0.24 0.25 2.61 96.24 0.64 0.00 0.00 0.00 29 G H H 20.04 7.30 11.79 21.43 92.02 50.59 -64.43 -40.64 1.56 0.00 98.43 0.26 0.12 1.00 97.95 0.66 0.00 0.00 0.00 30 R H H 123.25 4.30 14.97 20.59 91.56 51.64 -64.05 -40.54 0.50 0.00 99.50 0.16 0.04 0.23 99.40 0.17 0.00 0.00 0.00 31 A H H 61.81 1.70 17.66 18.20 91.87 50.55 -64.38 -41.19 0.54 0.00 99.45 0.15 0.04 0.27 99.46 0.07 0.00 0.00 0.00 32 I H H 81.55 3.40 17.02 20.90 91.93 49.26 -64.08 -42.66 0.33 0.01 99.66 0.11 0.02 0.15 99.66 0.05 0.00 0.00 0.00 33 V H H 49.74 7.62 14.37 23.74 91.79 49.48 -63.78 -42.28 0.17 0.00 99.83 0.03 0.01 0.09 99.84 0.03 0.00 0.00 0.00 34 A H H 53.76 2.68 16.68 19.66 91.30 50.61 -63.27 -41.55 0.37 0.00 99.63 0.04 0.02 0.22 99.65 0.06 0.00 0.00 0.00 35 N H H 86.05 1.76 16.59 17.58 92.07 50.23 -64.68 -40.93 1.14 0.00 98.86 0.11 0.06 0.78 98.88 0.16 0.00 0.00 0.00 36 R H H 106.33 4.68 13.63 19.63 92.30 49.84 -65.70 -40.32 2.74 0.01 97.25 0.46 0.25 1.78 97.08 0.43 0.00 0.00 0.00 37 R H H 128.58 4.24 12.67 18.35 91.89 51.80 -65.27 -39.08 6.53 0.05 93.42 1.34 0.66 4.24 92.66 1.05 0.01 0.02 0.02 38 S H H 85.43 1.02 13.54 13.78 92.09 52.18 -67.39 -31.99 17.32 0.10 82.58 1.90 1.45 13.68 81.48 1.38 0.03 0.04 0.05 39 K C T 142.76 1.40 12.26 13.67 95.49 51.56 -83.19 -13.92 61.31 0.20 38.49 2.81 5.11 51.17 38.76 1.92 0.03 0.07 0.14 40 G C T 44.40 3.73 11.26 16.34 100.67 -91.42 80.14 3.49 78.86 0.38 20.76 13.44 9.12 55.76 18.01 3.28 0.01 0.15 0.23 41 R C C 138.79 4.53 9.43 15.57 99.96 105.96 -72.82 -24.38 57.99 1.08 40.92 38.91 7.74 11.37 24.50 16.41 0.00 0.53 0.55 42 R C C 169.53 1.75 11.15 13.84 100.19 65.84 -77.29 -20.59 50.41 1.83 47.76 26.23 9.60 14.64 23.69 24.07 0.03 1.03 0.71 43 A C C 82.14 2.01 10.30 13.37 101.30 62.65 -80.08 -9.49 49.35 3.38 47.28 26.13 9.55 14.03 22.48 24.66 0.06 2.09 1.02 44 L C C 113.76 3.96 7.64 13.20 104.15 67.00 -86.60 10.84 57.02 6.27 36.72 34.36 10.57 12.41 20.21 16.46 0.06 3.92 2.00 45 T C C 100.16 2.44 8.37 12.56 112.77 92.45 -94.21 125.50 79.81 5.01 15.18 68.23 3.14 8.78 11.38 3.41 0.00 2.99 2.08 46 A C C 82.90 2.88 10.62 15.12 108.31 -120.73 -78.45 121.38 99.83 0.11 0.06 99.68 0.11 0.10 0.03 0.00 0.00 0.06 0.01