# 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 112.95 5.90 10.19 17.61 113.02 -143.30 -85.90 130.10 99.94 0.04 0.02 99.81 0.09 0.07 0.01 0.00 0.00 0.01 0.01 1 S C C 78.28 3.19 9.51 14.39 111.84 -138.12 -86.79 132.66 95.46 1.20 3.34 89.36 1.26 5.70 1.22 1.25 0.00 0.56 0.65 2 D C C 120.39 1.66 9.44 12.41 103.66 -142.07 -87.31 25.92 92.05 2.04 5.91 47.66 20.05 24.69 1.50 4.09 0.00 0.97 1.04 3 G C C 52.08 2.99 9.58 14.10 109.49 52.09 -70.01 2.64 91.24 1.76 7.00 37.02 29.61 24.97 1.53 5.13 0.00 0.78 0.96 4 S C C 76.44 3.06 9.63 14.27 112.31 81.83 -87.32 133.37 86.65 2.84 10.51 51.76 20.43 14.41 2.94 7.43 0.00 1.28 1.75 5 I C C 121.81 3.81 8.71 14.25 101.15 -144.61 -86.38 6.32 83.30 3.17 13.53 40.24 18.72 24.90 3.47 9.41 0.01 1.42 1.84 6 S C T 81.54 2.53 9.97 14.08 105.59 102.62 -83.52 66.17 86.97 1.83 11.20 25.59 21.92 40.13 2.99 7.45 0.00 0.84 1.08 7 G C S 60.93 1.24 12.34 13.78 100.47 -3.08 82.98 0.04 90.65 1.76 7.60 29.93 32.57 28.94 1.92 4.89 0.00 0.81 0.94 8 L C C 76.12 7.28 7.53 16.45 118.16 112.62 -89.85 144.81 92.62 3.63 3.75 69.85 19.59 2.63 2.68 1.09 0.00 1.20 2.96 9 S C C 62.35 1.86 13.78 15.63 120.16 -119.86 -78.79 163.35 93.87 1.98 4.15 86.34 5.87 1.28 4.03 0.50 0.00 0.65 1.33 10 E H H 140.45 2.31 11.25 15.13 92.62 -103.75 -59.58 -38.05 5.71 0.03 94.27 1.62 1.30 2.81 93.17 1.08 0.01 0.01 0.01 11 A H H 76.07 1.09 13.72 13.96 91.97 51.89 -64.71 -40.41 3.98 0.02 96.00 0.82 0.53 2.49 94.87 1.27 0.01 0.01 0.01 12 E H H 97.61 2.65 13.35 16.77 92.45 48.80 -66.31 -39.81 2.33 0.02 97.65 0.71 0.29 1.27 96.48 1.24 0.00 0.01 0.00 13 A H H 40.87 5.07 11.30 18.65 92.09 51.99 -63.83 -41.18 1.25 0.01 98.74 0.44 0.15 0.58 98.32 0.52 0.00 0.00 0.00 14 K H H 124.09 1.76 15.14 16.76 91.73 50.36 -64.89 -40.65 1.35 0.01 98.64 0.29 0.13 0.80 98.41 0.37 0.00 0.00 0.00 15 E H H 108.79 1.61 15.31 16.28 91.95 50.24 -65.08 -41.35 1.84 0.01 98.16 0.28 0.14 1.22 97.98 0.36 0.00 0.00 0.00 16 F H H 110.14 2.74 14.56 17.87 91.98 49.60 -64.64 -41.53 1.53 0.00 98.46 0.28 0.14 0.91 98.40 0.26 0.00 0.00 0.00 17 H H H 103.62 3.00 14.35 18.24 91.95 50.41 -64.48 -40.51 0.92 0.00 99.07 0.18 0.07 0.52 99.05 0.18 0.00 0.00 0.00 18 S H H 61.58 2.03 14.99 17.05 91.88 51.21 -64.51 -40.72 1.07 0.00 98.93 0.14 0.07 0.70 98.85 0.23 0.00 0.00 0.00 19 I H H 100.37 1.79 14.95 16.41 92.17 49.65 -64.88 -41.77 0.67 0.00 99.33 0.08 0.04 0.43 99.27 0.17 0.00 0.00 0.00 20 F H H 117.82 2.35 14.47 17.22 92.14 49.10 -65.39 -41.18 0.42 0.00 99.58 0.06 0.03 0.25 99.58 0.08 0.00 0.00 0.00 21 V H H 81.18 2.29 14.69 17.29 92.04 49.30 -64.55 -41.51 0.32 0.00 99.68 0.04 0.02 0.19 99.68 0.07 0.00 0.00 0.00 22 T H H 76.64 1.77 15.37 16.73 91.98 49.89 -64.68 -41.54 0.30 0.00 99.70 0.04 0.01 0.19 99.69 0.07 0.00 0.00 0.00 23 S H H 57.09 2.36 14.47 17.28 91.91 50.53 -64.88 -41.42 0.33 0.00 99.67 0.03 0.02 0.22 99.67 0.07 0.00 0.00 0.00 24 F H H 113.92 2.65 14.39 17.67 92.08 50.21 -65.11 -40.87 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 25 F H H 121.86 1.82 15.18 16.78 91.93 50.01 -64.82 -41.28 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 26 L H H 97.39 1.55 15.42 16.27 91.79 49.56 -64.77 -41.50 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 27 F H H 114.10 2.56 14.23 17.43 91.91 49.57 -65.13 -41.33 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 28 I H H 92.00 2.91 14.60 18.21 92.08 49.50 -65.05 -41.53 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 29 V H H 89.49 1.39 16.34 16.50 91.84 49.41 -64.47 -41.96 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 30 V H H 85.60 1.78 16.22 17.35 92.00 48.85 -65.01 -41.87 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 31 A H H 45.99 4.49 13.64 19.92 91.93 50.66 -64.41 -41.49 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 32 V H H 82.84 2.30 16.14 18.39 91.93 50.01 -63.96 -41.88 0.12 0.00 99.88 0.00 0.00 0.09 99.88 0.02 0.00 0.00 0.00 33 V H H 89.61 1.30 17.15 16.77 91.99 49.15 -64.49 -42.01 0.20 0.00 99.80 0.01 0.00 0.16 99.79 0.04 0.00 0.00 0.00 34 A H H 50.79 3.27 14.56 18.90 91.96 50.10 -64.55 -41.28 0.86 0.00 99.14 0.02 0.02 0.77 99.07 0.11 0.00 0.00 0.00 35 H H H 95.97 4.20 14.07 19.61 92.03 50.12 -64.57 -40.93 3.07 0.00 96.93 0.06 0.07 2.95 96.68 0.25 0.00 0.00 0.00 36 I H H 102.11 1.46 15.57 16.12 91.98 49.35 -64.71 -41.68 1.61 0.00 98.38 0.07 0.08 1.37 98.13 0.34 0.00 0.00 0.00 37 L H H 95.76 1.56 14.83 15.80 92.06 49.59 -65.07 -40.58 1.27 0.00 98.72 0.10 0.07 0.97 97.11 1.75 0.00 0.00 0.00 38 A H H 50.66 3.74 11.91 17.41 92.21 51.52 -64.54 -40.00 1.63 0.00 98.36 0.07 0.06 1.39 93.73 4.75 0.00 0.00 0.00 39 W H H 151.12 2.36 12.34 15.59 92.53 51.03 -67.00 -37.23 2.45 0.00 97.55 0.08 0.08 2.17 90.58 7.07 0.00 0.00 0.00 40 M H H 129.54 1.12 12.64 13.33 93.07 51.28 -69.51 -33.35 10.44 0.01 89.56 0.21 0.31 10.23 83.72 5.52 0.01 0.00 0.00 41 W H H 168.99 1.75 11.09 13.33 96.96 46.53 -82.53 -19.06 30.90 0.06 69.04 1.68 2.58 26.55 62.55 6.51 0.05 0.02 0.07 42 R H G 123.88 4.78 8.71 15.18 104.04 73.03 -81.36 65.44 36.04 0.46 63.51 12.21 6.24 17.94 8.72 54.44 0.00 0.24 0.21 43 P H G 102.28 1.81 10.24 13.17 94.04 102.52 -68.18 -21.17 40.60 0.23 59.18 4.42 3.94 30.59 5.95 54.88 0.00 0.13 0.09 44 W H G 200.83 1.07 10.61 11.67 97.10 53.44 -87.86 -5.03 39.54 0.43 60.02 5.10 5.68 27.74 5.43 55.63 0.00 0.25 0.17 45 L C S 92.52 4.41 7.24 13.74 116.39 88.93 -95.65 131.95 92.65 1.87 5.49 28.78 60.16 4.07 2.62 2.14 0.00 0.63 1.59 46 P C C 97.03 2.30 9.82 13.61 111.44 -118.64 -69.09 144.96 89.78 1.62 8.60 55.04 16.62 18.18 2.79 5.58 0.00 0.75 1.05 47 K C C 139.72 2.69 9.12 13.59 112.95 -111.62 -85.19 147.99 84.88 1.95 13.16 51.30 15.58 17.91 3.84 9.15 0.00 0.86 1.36 48 A C C 84.13 2.59 8.25 12.34 101.26 -103.43 -72.71 -10.42 77.04 1.52 21.44 34.47 17.74 25.41 4.02 16.72 0.00 0.67 0.96 49 T C T 112.04 1.24 8.64 10.78 105.21 68.29 -86.50 53.82 81.40 1.17 17.43 22.63 18.42 40.68 2.63 14.38 0.00 0.55 0.71 50 G C C 55.00 2.22 9.20 12.92 106.10 -12.58 83.31 5.62 90.67 0.71 8.62 61.33 5.33 24.28 1.34 6.97 0.00 0.38 0.38 51 Y C C 148.47 4.57 9.99 16.18 109.44 119.59 -90.64 108.37 99.74 0.21 0.04 99.53 0.22 0.08 0.01 0.01 0.00 0.09 0.05