# 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 I C C 97.84 7.64 11.24 20.23 116.52 -165.01 -104.26 124.26 97.77 2.22 0.01 98.06 0.11 0.03 0.00 0.00 0.00 1.72 0.08 1 T C C 97.75 2.77 10.58 15.09 120.11 -171.78 -115.44 135.92 70.09 29.48 0.43 68.39 1.10 0.75 0.20 0.17 0.00 24.87 4.52 2 A C C 79.10 3.60 7.93 13.63 117.72 -163.25 -104.47 140.98 80.41 19.14 0.45 61.26 17.32 1.75 0.15 0.35 0.00 16.53 2.66 3 K C C 153.63 1.54 9.99 12.81 118.70 -131.22 -102.00 140.82 94.63 5.26 0.11 67.72 26.85 0.56 0.03 0.09 0.00 3.91 0.84 4 P C C 96.63 3.48 9.42 14.96 116.21 -98.82 -67.01 150.25 98.15 1.40 0.45 89.66 6.83 1.71 0.09 0.37 0.00 0.87 0.47 5 A C C 63.56 6.51 7.80 16.01 113.13 -102.01 -67.04 144.89 97.80 1.29 0.91 91.69 3.69 2.46 0.20 0.64 0.00 0.57 0.74 6 K C S 174.62 0.81 10.79 11.51 96.94 -144.57 -79.84 -19.24 98.65 0.88 0.47 30.75 65.09 2.96 0.09 0.33 0.00 0.41 0.37 7 T C S 96.71 1.79 10.66 13.56 121.57 47.23 -116.09 137.80 97.85 2.03 0.12 13.08 84.79 0.59 0.02 0.06 0.00 1.01 0.46 8 P C C 110.48 2.09 11.64 15.34 113.03 -104.65 -67.21 143.03 95.69 4.14 0.17 92.35 3.49 0.40 0.06 0.08 0.00 1.95 1.68 9 T C C 61.73 10.02 6.41 16.90 117.85 -126.49 -90.65 142.66 95.05 4.68 0.26 91.87 2.62 0.17 0.17 0.06 0.00 1.15 3.96 10 S C C 62.82 1.84 13.39 15.25 119.35 -116.25 -75.51 161.73 99.09 0.42 0.49 97.16 1.81 0.17 0.46 0.04 0.00 0.12 0.23 11 P H H 109.71 1.66 10.78 13.50 91.71 -102.81 -58.41 -37.13 2.13 0.00 97.87 0.38 0.30 1.19 97.74 0.38 0.00 0.00 0.00 12 K H H 147.73 0.84 12.93 12.84 91.82 52.38 -64.26 -39.65 0.99 0.00 99.00 0.17 0.10 0.58 98.82 0.32 0.00 0.00 0.00 13 E H H 92.24 3.98 12.06 17.66 92.07 49.25 -66.46 -39.65 0.29 0.00 99.71 0.07 0.03 0.14 99.55 0.21 0.00 0.00 0.00 14 Q H H 85.93 5.24 12.56 19.50 91.75 51.18 -64.00 -41.19 0.13 0.00 99.87 0.03 0.01 0.06 99.86 0.05 0.00 0.00 0.00 15 A H H 64.80 1.62 15.72 16.65 91.71 50.20 -64.03 -41.73 0.12 0.00 99.88 0.02 0.00 0.07 99.88 0.03 0.00 0.00 0.00 16 I H H 99.57 1.71 16.43 17.36 92.07 49.01 -64.52 -42.04 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 17 G H H 27.95 5.05 13.86 20.83 91.59 50.56 -63.32 -42.15 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 18 L H H 89.66 3.07 15.93 19.65 91.59 49.91 -64.23 -41.18 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 19 S H H 62.68 1.83 16.45 17.66 91.83 50.45 -64.23 -41.38 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 20 V H H 83.50 2.25 16.00 18.22 92.11 49.36 -64.89 -41.83 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 21 T H H 70.79 3.61 14.86 19.53 92.05 49.63 -64.80 -41.74 0.21 0.00 99.79 0.01 0.01 0.15 99.76 0.06 0.00 0.00 0.00 22 F H H 116.86 2.36 15.46 18.07 91.90 50.08 -64.57 -41.36 0.32 0.00 99.67 0.02 0.01 0.24 99.55 0.17 0.00 0.00 0.00 23 L H H 97.15 1.77 15.54 16.91 91.95 50.03 -64.90 -40.52 0.53 0.00 99.47 0.03 0.02 0.43 98.98 0.54 0.00 0.00 0.00 24 S H H 59.30 2.95 13.89 17.76 92.62 50.34 -65.89 -39.39 3.09 0.00 96.91 0.08 0.10 2.97 95.07 1.77 0.00 0.00 0.00 25 F H H 124.00 2.85 13.97 17.61 93.65 47.20 -71.36 -36.85 14.10 0.02 85.89 0.27 0.47 14.15 83.00 2.07 0.03 0.00 0.01 26 L H H 104.74 2.11 14.37 16.59 93.91 48.37 -71.62 -36.34 20.70 0.10 79.20 1.51 2.63 16.88 76.84 1.96 0.08 0.03 0.07 27 L H H 98.28 2.01 14.85 16.81 93.74 51.57 -66.73 -41.44 27.43 0.37 72.20 7.94 7.00 13.62 65.80 5.19 0.07 0.16 0.20 28 P H H 72.05 3.20 14.37 18.46 93.25 48.42 -65.77 -39.27 21.21 0.25 78.54 9.05 2.64 9.83 72.17 6.04 0.02 0.13 0.11 29 A H H 53.38 4.03 13.89 19.31 92.72 52.32 -64.99 -38.91 11.47 0.16 88.38 3.74 1.57 6.22 80.71 7.58 0.03 0.09 0.07 30 G H H 37.12 2.49 14.73 17.79 92.24 52.73 -64.26 -40.80 10.12 0.16 89.72 2.90 1.40 5.96 83.81 5.75 0.03 0.10 0.06 31 W H H 138.20 2.39 14.59 17.36 92.80 50.71 -65.84 -40.95 5.98 0.13 93.90 1.52 0.86 3.69 88.19 5.58 0.04 0.08 0.04 32 V H H 73.62 4.29 12.66 18.50 92.44 50.31 -65.24 -41.37 3.90 0.08 96.02 0.73 0.47 2.64 90.32 5.73 0.03 0.06 0.02 33 L H H 105.15 2.15 13.37 16.10 92.07 50.62 -66.48 -36.67 5.20 0.04 94.76 0.57 0.43 3.93 86.52 8.49 0.02 0.02 0.01 34 Y H H 159.18 1.33 13.71 14.62 93.24 51.81 -71.41 -29.26 24.70 0.07 75.22 0.95 1.48 22.10 67.40 7.90 0.08 0.03 0.06 35 H C T 100.89 4.08 11.46 17.20 100.06 41.33 -103.66 3.58 59.34 0.12 40.54 6.08 2.73 49.67 35.45 5.91 0.01 0.05 0.11 36 L H H 81.35 5.06 10.20 17.47 93.21 99.89 -60.15 -41.40 6.19 0.03 93.78 1.76 0.84 3.36 83.60 10.41 0.00 0.02 0.01 37 D H H 103.49 1.06 13.87 14.10 91.95 51.51 -64.85 -38.97 4.26 0.02 95.73 0.53 0.35 2.95 84.77 11.37 0.00 0.01 0.01 38 N H H 95.13 1.75 13.06 14.93 92.95 49.65 -66.99 -38.45 4.23 0.03 95.74 0.64 0.42 2.78 84.94 11.17 0.00 0.02 0.01 39 Y H H 117.35 3.81 10.70 16.11 93.64 50.52 -67.92 -37.49 9.00 0.14 90.86 2.73 1.68 4.93 83.57 6.93 0.02 0.08 0.05 40 K H H 130.26 1.89 11.63 14.27 93.66 53.90 -68.17 -34.09 27.58 0.65 71.76 11.10 5.24 12.94 66.96 3.09 0.05 0.29 0.33 41 K H H 140.85 1.41 11.36 13.00 95.66 54.79 -72.31 -31.75 38.60 0.53 60.87 16.01 9.48 13.83 57.50 2.68 0.03 0.20 0.29 42 S H H 74.93 2.61 9.17 13.21 99.65 64.40 -74.10 -25.98 45.10 0.62 54.28 22.02 10.50 13.82 48.19 4.87 0.02 0.24 0.34 43 S C H 85.73 1.74 9.25 12.10 101.11 59.11 -77.97 -11.87 54.10 0.72 45.19 28.05 8.76 18.35 38.39 5.72 0.02 0.30 0.41 44 A C C 88.12 1.55 8.50 11.19 102.22 64.10 -81.37 4.31 70.04 0.59 29.37 50.44 2.16 17.49 25.95 3.32 0.00 0.28 0.36 45 A C C 79.49 2.89 9.84 14.26 104.70 75.80 -81.65 25.27 99.84 0.04 0.13 99.57 0.13 0.19 0.08 0.01 0.00 0.01 0.01