# 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 108.84 6.90 11.35 19.64 114.75 -157.31 -95.78 128.32 99.84 0.13 0.02 99.81 0.08 0.03 0.01 0.00 0.00 0.06 0.02 1 H C C 131.06 3.66 9.84 15.22 112.79 -161.63 -96.10 125.28 78.26 5.52 16.22 73.57 1.49 4.43 11.30 3.74 0.00 3.00 2.48 2 S C C 80.86 3.07 9.05 13.82 110.69 -158.87 -93.96 111.93 65.11 4.16 30.73 45.49 8.77 10.42 19.97 11.30 0.01 2.64 1.40 3 F C C 143.23 3.65 9.13 14.47 110.66 62.11 -93.44 105.67 54.62 3.37 42.01 36.27 8.34 9.67 26.03 16.47 0.01 2.19 1.02 4 L H H 112.76 4.09 9.58 15.35 110.91 67.36 -93.35 114.06 46.09 3.58 50.34 29.95 7.27 8.77 31.65 18.97 0.02 2.40 0.96 5 L H H 113.55 4.14 9.78 15.61 111.31 -150.35 -92.43 118.20 45.01 4.43 50.56 27.41 7.51 10.17 33.32 17.33 0.05 2.95 1.26 6 A C C 74.77 4.75 9.75 16.16 111.19 -151.53 -92.76 116.20 51.56 5.28 43.16 31.08 9.44 11.38 29.00 14.04 0.07 3.41 1.59 7 T C C 93.41 4.15 10.29 16.23 111.11 -148.29 -92.92 115.33 64.72 5.73 29.55 39.65 11.29 13.71 20.52 9.35 0.05 3.61 1.82 8 A C C 79.08 3.88 10.53 16.21 110.81 -152.79 -93.64 111.03 80.02 5.44 14.53 53.44 16.29 9.97 9.91 5.09 0.01 3.19 2.10 9 V C C 93.48 5.47 10.21 17.57 117.56 -152.13 -101.66 130.65 95.32 3.91 0.77 68.28 26.67 0.89 0.48 0.28 0.00 2.18 1.21 10 P C C 82.79 5.74 11.10 18.63 113.49 -110.01 -68.76 147.49 95.55 2.92 1.53 88.92 4.98 1.87 0.66 0.69 0.00 1.96 0.92 11 A C C 81.90 3.79 11.66 17.23 109.34 -131.02 -83.82 128.03 92.61 4.31 3.09 74.44 14.08 3.83 1.28 1.76 0.00 2.22 2.39 12 T C C 87.76 5.29 10.83 17.92 115.95 81.55 -100.05 134.51 91.54 4.02 4.44 72.53 14.48 4.33 1.55 2.88 0.00 2.29 1.93 13 L C C 101.76 6.26 12.00 19.74 114.36 -148.34 -89.63 132.87 91.79 2.66 5.55 56.43 25.74 9.67 1.45 4.17 0.00 1.55 0.99 14 S C C 83.08 2.88 16.02 19.98 113.40 -117.30 -88.03 130.04 93.54 2.38 4.08 67.01 17.09 9.33 1.22 3.00 0.00 1.44 0.92 15 W C C 76.24 17.60 8.69 24.86 115.64 -136.96 -88.45 133.36 94.15 3.37 2.48 81.28 10.42 1.72 1.52 0.93 0.00 1.14 3.00 16 S C C 52.11 4.19 17.23 22.01 123.36 -144.79 -88.91 162.60 98.06 0.31 1.63 94.39 3.19 0.37 1.69 0.10 0.00 0.09 0.18 17 P H H 98.88 4.06 13.73 19.40 91.87 -103.73 -60.12 -34.62 13.04 0.02 86.94 1.04 1.34 10.39 86.27 0.93 0.02 0.01 0.02 18 K H H 140.70 1.78 18.02 19.36 92.05 53.89 -65.87 -38.66 9.18 0.04 90.79 0.76 0.83 7.62 89.94 0.79 0.03 0.01 0.03 19 V H H 30.41 13.91 15.46 30.07 92.79 48.86 -66.78 -41.36 1.44 0.01 98.55 0.35 0.16 0.81 98.40 0.26 0.00 0.00 0.00 20 A H H 21.58 15.86 15.46 31.66 91.54 52.88 -62.56 -42.22 0.24 0.00 99.76 0.07 0.01 0.10 99.76 0.06 0.00 0.00 0.00 21 G H H 39.07 3.12 22.23 24.58 91.58 50.60 -64.06 -40.99 0.11 0.00 99.89 0.02 0.00 0.05 99.90 0.03 0.00 0.00 0.00 22 V H H 68.67 5.55 22.05 27.93 91.83 49.15 -64.78 -42.25 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 23 M H H 18.42 21.14 17.32 38.01 91.86 50.27 -64.16 -42.20 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 24 I H H 64.42 11.80 21.26 33.02 91.58 49.95 -63.37 -42.12 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 25 A H H 64.05 2.08 25.33 25.41 91.31 49.34 -63.90 -42.22 0.11 0.00 99.89 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 26 C H H 30.73 11.29 20.56 32.75 91.80 49.21 -65.09 -41.91 0.21 0.00 99.79 0.02 0.01 0.13 99.83 0.01 0.00 0.00 0.00 27 N H H 16.07 21.30 17.59 38.36 91.77 51.21 -63.99 -41.87 0.29 0.00 99.71 0.04 0.01 0.18 99.75 0.01 0.00 0.00 0.00 28 I H H 87.22 5.77 23.63 29.44 91.37 50.09 -63.58 -41.90 0.16 0.00 99.84 0.02 0.01 0.10 99.86 0.01 0.00 0.00 0.00 29 L H H 92.54 2.67 25.05 26.51 91.41 48.94 -64.24 -42.49 0.10 0.00 99.90 0.01 0.01 0.06 99.90 0.02 0.00 0.00 0.00 30 A H H 14.80 16.18 18.12 34.88 91.50 50.25 -63.93 -42.56 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 31 I H H 48.27 15.42 19.40 34.35 91.57 49.71 -63.54 -42.12 0.17 0.00 99.83 0.01 0.00 0.13 99.79 0.06 0.00 0.00 0.00 32 A H H 60.94 2.72 23.58 25.18 91.44 50.34 -63.85 -42.54 0.45 0.00 99.55 0.02 0.02 0.38 99.46 0.13 0.00 0.00 0.00 33 F H H 100.36 4.41 22.34 26.68 91.99 47.98 -65.10 -41.59 1.64 0.00 98.36 0.08 0.07 1.38 98.18 0.29 0.00 0.00 0.00 34 G H H 7.46 18.21 14.95 33.60 91.96 53.12 -63.79 -41.42 3.56 0.01 96.43 0.32 0.23 2.70 94.87 1.85 0.01 0.00 0.00 35 K H H 90.75 9.67 18.88 28.96 91.67 52.44 -63.97 -38.99 6.32 0.02 93.66 0.51 0.41 5.18 89.30 4.55 0.02 0.01 0.01 36 L H H 99.84 2.32 21.14 22.37 92.30 51.55 -66.37 -36.00 10.28 0.06 89.67 0.90 0.86 8.25 84.48 5.39 0.06 0.03 0.03 37 T H H 49.35 9.44 16.33 26.83 93.87 50.71 -71.55 -31.51 20.30 0.27 79.43 2.54 2.48 15.67 74.58 4.28 0.16 0.13 0.17 38 I H H 43.80 16.97 11.50 27.65 98.14 59.21 -81.52 -8.27 41.20 3.67 55.14 15.68 8.39 20.53 45.68 5.65 0.47 1.67 1.93 39 K C H 143.65 2.83 16.81 20.65 94.99 88.80 -68.94 -29.37 62.44 3.15 34.41 21.16 16.30 26.28 27.45 5.67 0.21 1.48 1.44 40 Q C C 115.44 3.11 15.74 19.53 105.16 39.43 -109.24 60.98 79.94 1.96 18.10 39.66 19.75 20.96 11.49 6.08 0.02 0.81 1.23 41 Q C T 82.89 12.90 10.45 23.29 101.80 153.02 -69.94 -0.54 86.58 1.58 11.84 28.44 9.71 49.19 4.33 6.62 0.00 0.82 0.89 42 N C T 119.42 3.13 14.93 19.15 97.83 50.39 -85.79 12.39 89.60 1.49 8.91 25.86 12.80 51.37 2.30 6.12 0.00 0.76 0.79 43 V C C 87.46 5.54 11.92 19.21 113.05 114.29 -94.16 123.91 89.98 2.90 7.12 45.84 30.36 13.95 2.33 4.40 0.00 1.13 1.98 44 G C C 48.32 3.19 13.70 18.29 124.85 -4.75 111.94 -175.34 97.16 1.93 0.91 46.27 43.22 7.79 0.17 0.72 0.00 0.89 0.92 45 T C C 85.65 4.40 13.31 19.06 117.03 -37.35 -77.67 147.13 97.57 2.10 0.33 65.80 29.76 2.07 0.07 0.27 0.00 0.93 1.10 46 P C C 96.44 4.39 14.04 20.01 113.33 -104.71 -72.26 145.25 95.75 3.79 0.45 77.11 16.23 2.23 0.11 0.36 0.00 1.56 2.39 47 M C C 78.83 11.87 9.53 21.82 115.72 -111.94 -82.49 137.12 94.26 5.38 0.36 79.11 14.05 0.98 0.12 0.24 0.00 2.17 3.33 48 P C C 82.08 4.94 13.62 19.96 111.15 -104.61 -67.34 148.73 92.53 5.29 2.17 67.74 17.74 6.52 0.51 1.91 0.00 2.66 2.92 49 S C C 75.10 4.50 11.33 17.45 113.72 -115.30 -96.68 122.26 91.94 4.52 3.54 64.93 18.80 7.35 0.93 2.89 0.00 1.85 3.25 50 S C T 65.56 6.33 9.38 17.19 105.39 -144.04 -83.41 58.73 73.73 1.80 24.48 27.88 17.36 29.05 4.05 19.72 0.01 0.78 1.14 51 N C T 129.37 1.70 12.01 14.48 99.57 -129.43 -80.43 2.30 68.92 1.33 29.75 18.86 16.30 34.60 5.16 23.55 0.01 0.61 0.92 52 F C T 139.77 3.67 10.74 15.75 103.47 66.53 -88.71 -8.33 64.68 2.89 32.43 19.84 18.08 28.04 5.74 25.12 0.03 1.36 1.79 53 F C T 125.66 6.01 10.70 17.95 104.16 25.75 -95.84 47.07 71.55 5.34 23.11 24.09 18.63 30.04 5.41 16.09 0.07 2.35 3.32 54 G C T 48.85 4.41 15.02 20.55 104.97 -112.70 67.83 27.41 85.57 3.05 11.39 23.34 23.78 39.07 2.62 8.04 0.01 1.41 1.73 55 G C S 37.77 7.88 16.15 24.75 110.69 -64.87 91.05 3.28 90.05 4.19 5.76 32.73 34.27 23.72 1.59 3.75 0.01 2.03 1.91 56 F C C 60.11 16.52 13.51 29.59 118.49 -10.07 -96.52 136.20 81.06 16.82 2.12 66.67 11.02 1.70 1.43 0.73 0.00 5.55 12.90 57 G C C 23.27 8.95 20.64 30.03 125.95 -150.82 -94.40 169.66 88.11 7.07 4.83 77.85 8.05 0.98 5.27 0.38 0.00 1.75 5.71 58 L H H 78.76 12.70 18.53 31.08 92.22 -96.74 -60.88 -37.56 1.91 0.01 98.09 0.35 0.28 1.12 97.95 0.30 0.00 0.00 0.00 59 G H H 33.36 7.13 22.15 29.75 91.91 53.96 -63.67 -40.32 0.89 0.00 99.10 0.14 0.08 0.59 98.88 0.31 0.00 0.00 0.00 60 A H H 26.73 13.61 20.81 34.62 91.87 50.57 -65.06 -40.68 0.24 0.00 99.76 0.05 0.02 0.14 99.58 0.22 0.00 0.00 0.00 61 V H H 27.28 19.20 20.92 39.23 91.65 49.56 -63.53 -42.81 0.12 0.00 99.88 0.01 0.01 0.07 99.82 0.08 0.00 0.00 0.00 62 L H H 64.62 11.25 25.22 36.36 91.53 49.39 -63.97 -42.30 0.14 0.00 99.86 0.01 0.01 0.09 99.84 0.05 0.00 0.00 0.00 63 G H H 25.51 8.22 25.43 34.11 91.37 50.24 -63.82 -42.32 0.34 0.00 99.66 0.03 0.01 0.25 99.63 0.08 0.00 0.00 0.00 64 T H H 24.56 16.52 24.34 40.33 91.98 48.85 -65.29 -41.45 0.74 0.00 99.26 0.05 0.03 0.58 99.20 0.13 0.00 0.00 0.00 65 A H H 19.80 18.67 24.22 41.93 92.10 51.24 -63.92 -41.64 1.59 0.00 98.41 0.13 0.09 1.22 98.36 0.20 0.00 0.00 0.00 66 S H H 41.00 10.35 26.38 36.92 92.16 50.55 -64.78 -42.03 3.13 0.01 96.86 0.38 0.28 2.35 96.66 0.31 0.00 0.00 0.01 67 F H H 81.94 8.27 27.73 36.60 91.79 48.89 -64.89 -42.15 1.45 0.00 98.55 0.19 0.14 1.06 98.36 0.24 0.00 0.00 0.00 68 G H H 7.46 19.48 22.49 41.44 91.57 51.74 -63.19 -42.43 1.21 0.00 98.79 0.20 0.11 0.83 98.61 0.24 0.00 0.00 0.00 69 H H H 50.85 17.70 23.95 40.20 91.76 50.73 -64.21 -41.61 1.12 0.01 98.87 0.21 0.10 0.81 98.62 0.26 0.00 0.00 0.00 70 I H H 81.44 7.33 27.00 34.58 91.70 49.06 -64.17 -42.51 0.56 0.01 99.44 0.09 0.04 0.39 99.34 0.14 0.00 0.00 0.00 71 L H H 64.36 9.04 26.77 36.22 91.65 48.28 -64.54 -42.56 0.63 0.00 99.37 0.08 0.04 0.45 99.32 0.11 0.00 0.00 0.00 72 G H H 4.70 21.64 20.91 42.17 91.55 50.32 -64.19 -42.38 0.91 0.00 99.09 0.09 0.04 0.65 99.11 0.11 0.00 0.00 0.00 73 A H H 29.82 15.01 23.47 37.98 91.50 50.74 -63.18 -42.13 0.27 0.00 99.73 0.02 0.01 0.18 99.73 0.06 0.00 0.00 0.00 74 G H H 34.17 4.95 26.29 31.21 91.46 50.35 -63.95 -42.04 0.20 0.00 99.80 0.02 0.01 0.14 99.78 0.06 0.00 0.00 0.00 75 V H H 43.04 12.36 23.63 35.90 91.81 49.19 -64.66 -42.47 0.21 0.00 99.78 0.02 0.01 0.15 99.77 0.06 0.00 0.00 0.00 76 I H H 19.10 20.73 19.88 39.92 91.74 48.93 -63.83 -43.17 0.25 0.00 99.75 0.02 0.01 0.16 99.74 0.06 0.00 0.00 0.00 77 L H H 70.55 7.96 22.99 31.28 91.44 49.55 -63.30 -42.06 0.60 0.00 99.40 0.05 0.03 0.42 99.36 0.13 0.00 0.00 0.00 78 G H H 30.71 4.06 21.57 25.83 91.35 50.14 -63.60 -41.90 2.33 0.00 97.67 0.15 0.11 1.90 97.44 0.38 0.00 0.00 0.00 79 L H H 30.24 12.74 16.32 30.30 91.86 49.08 -65.67 -40.95 4.03 0.04 95.94 0.53 0.42 3.03 94.67 1.30 0.03 0.01 0.02 80 A H H 38.31 11.93 13.98 26.66 91.70 52.01 -63.79 -40.69 6.99 0.06 92.94 0.83 0.63 5.46 89.63 3.34 0.05 0.03 0.03 81 N H H 119.61 1.67 15.87 17.67 91.10 52.69 -67.01 -27.48 19.73 0.08 80.19 1.08 1.16 17.69 76.92 3.00 0.06 0.03 0.05 82 M C T 117.26 3.00 12.93 16.88 93.53 53.06 -86.42 -3.04 72.84 0.13 27.03 1.19 3.31 67.78 24.87 2.66 0.01 0.05 0.13 83 G C T 57.13 2.18 13.26 16.55 95.65 -111.66 77.80 13.02 98.13 0.12 1.75 4.37 4.79 89.14 1.28 0.31 0.00 0.05 0.05 84 V C C 81.17 6.16 12.51 20.25 98.18 122.26 -85.43 -15.91 98.22 1.26 0.52 94.54 1.81 2.05 0.27 0.11 0.00 0.56 0.66 85 L C C 56.91 16.25 12.19 27.43 110.41 67.86 -95.97 103.62 99.63 0.35 0.01 99.61 0.14 0.02 0.00 0.00 0.00 0.18 0.04