# 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 114.13 6.29 11.93 19.65 115.08 -157.22 -97.93 131.55 99.91 0.08 0.01 99.87 0.06 0.02 0.01 0.00 0.00 0.03 0.01 1 L C C 104.30 4.95 9.51 16.24 115.68 -142.47 -90.18 133.55 87.77 1.98 10.25 86.48 0.77 2.60 6.32 1.95 0.00 1.08 0.80 2 P C C 97.08 3.16 10.08 14.94 111.26 -123.94 -72.78 137.61 74.58 4.19 21.22 57.98 7.97 8.57 11.61 9.63 0.00 2.82 1.41 3 V C C 105.49 4.20 9.18 15.05 104.89 -140.55 -83.73 17.25 58.57 7.06 34.37 39.00 9.81 9.82 15.92 18.65 0.03 4.69 2.08 4 L C C 111.02 4.67 9.66 16.00 104.50 69.00 -85.03 24.15 51.78 7.08 41.14 32.35 9.59 10.48 16.71 24.26 0.03 4.88 1.70 5 A C C 75.08 4.18 10.19 16.09 107.39 67.20 -85.12 90.16 60.24 6.32 33.44 36.54 10.73 13.39 13.20 20.14 0.04 4.18 1.79 6 A C C 80.39 3.32 10.97 15.90 107.23 62.64 -91.71 54.71 70.68 6.35 22.98 42.17 14.87 14.41 8.74 13.60 0.06 3.73 2.42 7 I C C 93.27 7.32 9.11 17.97 117.35 94.71 -97.19 133.47 94.49 4.64 0.87 52.23 42.00 0.98 0.47 0.34 0.00 2.46 1.51 8 P C C 85.05 4.64 11.56 17.96 112.66 -109.16 -68.36 147.33 95.46 3.26 1.28 88.27 5.49 1.89 0.48 0.66 0.00 2.22 0.98 9 Q C C 135.48 3.22 11.24 16.23 106.98 -126.56 -87.91 99.95 93.24 4.19 2.57 72.69 16.72 3.53 1.02 1.53 0.00 2.09 2.42 10 T C C 86.08 5.32 10.32 17.36 117.32 112.11 -101.28 137.81 92.67 3.34 3.98 72.73 15.61 4.17 1.23 2.75 0.00 1.84 1.67 11 V C C 97.56 5.07 11.90 18.47 111.41 -144.34 -91.21 122.77 92.02 2.27 5.71 51.27 28.80 12.03 1.28 4.47 0.00 1.27 0.88 12 A C C 79.25 3.43 14.66 19.49 113.87 -122.54 -88.69 132.63 93.15 2.41 4.44 62.21 19.37 11.49 1.02 3.54 0.00 1.40 0.97 13 W C C 80.59 16.49 8.68 24.03 116.17 -136.45 -89.32 135.04 95.02 2.91 2.07 80.38 12.53 1.51 1.08 0.92 0.00 0.98 2.60 14 S C C 53.06 3.91 17.04 21.49 121.03 -135.86 -85.21 162.38 98.97 0.30 0.72 95.88 2.90 0.21 0.70 0.06 0.00 0.09 0.17 15 P H H 95.18 4.52 13.37 19.56 91.80 -104.23 -59.26 -35.03 7.87 0.02 92.12 0.81 0.85 5.77 91.96 0.60 0.01 0.00 0.01 16 K H H 139.84 1.72 17.70 18.92 92.08 53.51 -65.49 -38.90 4.84 0.02 95.14 0.44 0.39 3.79 94.87 0.48 0.01 0.00 0.01 17 V H H 35.91 12.15 15.47 28.67 92.86 48.69 -66.37 -41.19 1.01 0.00 98.99 0.23 0.09 0.56 98.89 0.22 0.00 0.00 0.00 18 A H H 19.89 15.75 14.70 30.92 91.56 52.68 -62.73 -42.06 0.18 0.00 99.82 0.05 0.01 0.08 99.82 0.05 0.00 0.00 0.00 19 L H H 93.30 3.12 21.75 24.28 91.62 50.46 -64.24 -41.35 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.01 0.00 0.00 0.00 20 V H H 68.90 5.14 21.51 26.91 91.77 49.20 -64.59 -42.48 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.01 0.00 0.00 0.00 21 M H H 21.69 20.17 17.14 36.87 92.02 49.89 -64.75 -42.21 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 22 I H H 62.86 12.03 20.50 32.53 91.68 50.08 -63.49 -42.29 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 23 L H H 98.24 2.04 25.05 25.18 91.37 48.84 -64.19 -41.98 0.12 0.00 99.88 0.01 0.00 0.09 99.90 0.01 0.00 0.00 0.00 24 S H H 27.52 10.76 20.26 31.97 91.84 49.42 -64.90 -41.59 0.21 0.00 99.79 0.02 0.01 0.13 99.84 0.01 0.00 0.00 0.00 25 N H H 16.77 20.87 17.31 37.65 91.96 50.85 -64.33 -41.70 0.33 0.00 99.67 0.03 0.02 0.21 99.72 0.02 0.00 0.00 0.00 26 I H H 85.50 6.14 23.13 29.47 91.53 50.34 -63.84 -41.89 0.20 0.00 99.80 0.02 0.01 0.13 99.83 0.01 0.00 0.00 0.00 27 V H H 84.54 2.62 24.78 26.11 91.45 48.75 -64.34 -42.76 0.15 0.00 99.85 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 28 A H H 17.02 15.26 18.27 34.19 91.53 50.10 -64.04 -42.63 0.18 0.00 99.82 0.03 0.01 0.11 99.79 0.06 0.00 0.00 0.00 29 I H H 46.03 15.72 19.01 34.25 91.76 49.67 -63.99 -42.06 0.22 0.00 99.78 0.02 0.01 0.16 99.72 0.09 0.00 0.00 0.00 30 A H H 60.45 2.92 23.03 25.12 91.55 50.32 -63.87 -42.34 0.43 0.00 99.57 0.03 0.02 0.34 99.48 0.14 0.00 0.00 0.00 31 I H H 83.54 4.17 22.04 26.03 91.97 48.02 -65.11 -41.62 1.07 0.00 98.93 0.07 0.05 0.84 98.75 0.29 0.00 0.00 0.00 32 G H H 8.32 17.41 14.90 32.83 92.02 52.73 -63.85 -41.92 2.46 0.01 97.53 0.22 0.15 1.87 96.26 1.49 0.00 0.00 0.00 33 K H H 89.22 10.50 17.96 28.82 91.82 52.72 -63.92 -37.52 5.88 0.02 94.10 0.42 0.35 4.94 91.15 3.10 0.02 0.01 0.01 34 A H H 70.37 2.35 19.89 21.55 92.48 53.57 -67.81 -31.54 11.97 0.07 87.96 0.96 0.99 9.92 84.48 3.52 0.06 0.03 0.04 35 T H H 63.17 7.66 16.23 24.83 94.91 50.10 -79.97 -26.01 28.11 0.41 71.47 3.52 3.66 21.61 67.15 3.45 0.17 0.18 0.26 36 I C H 46.45 16.78 10.10 25.97 106.26 77.76 -85.47 87.04 53.37 5.57 41.06 24.28 12.24 19.43 33.62 4.80 0.36 2.53 2.75 37 K C C 148.40 2.55 16.51 19.77 97.87 81.15 -76.06 -25.84 70.35 4.55 25.10 32.86 17.57 20.45 19.73 5.04 0.13 2.28 1.94 38 I C C 102.82 4.16 13.95 19.32 107.30 39.32 -110.98 79.05 83.22 3.11 13.67 48.42 21.76 13.31 8.54 4.74 0.01 1.40 1.82 39 Q C T 94.49 10.25 10.73 21.59 106.73 130.78 -73.72 117.95 87.75 1.72 10.53 27.63 10.63 50.38 3.40 6.13 0.00 0.91 0.91 40 N C T 126.67 2.21 14.47 17.46 98.94 49.68 -83.54 15.62 90.63 1.20 8.16 21.90 15.73 53.21 1.79 6.11 0.00 0.62 0.64 41 A C C 63.00 6.14 11.92 19.58 109.94 108.77 -92.29 110.17 90.40 2.47 7.12 46.68 34.20 9.58 1.86 4.85 0.00 0.94 1.89 42 G C C 38.33 4.98 13.77 20.31 130.41 -100.54 119.31 -175.85 96.33 2.36 1.31 55.97 34.71 5.61 0.28 1.09 0.00 1.06 1.30 43 P C C 89.39 5.40 13.35 20.10 111.52 -46.99 -70.63 145.03 95.88 2.13 1.99 65.94 20.82 8.80 0.37 1.88 0.00 1.05 1.14 44 A C C 75.66 4.73 13.98 20.30 113.35 -122.52 -84.14 135.67 92.88 5.58 1.54 69.99 18.04 4.13 0.39 1.28 0.00 2.39 3.79 45 L C C 77.76 10.76 10.26 21.75 117.02 -116.75 -87.47 138.72 94.94 4.72 0.33 74.66 19.43 0.95 0.11 0.23 0.00 2.01 2.61 46 P C C 79.64 5.33 13.33 20.17 112.57 -105.65 -68.22 150.63 94.76 4.52 0.72 75.07 17.09 2.34 0.20 0.55 0.00 2.09 2.66 47 S C C 70.62 4.80 11.57 18.12 112.71 -110.40 -93.93 123.21 95.88 2.88 1.24 76.00 17.13 2.32 0.40 0.85 0.00 1.08 2.22 48 P C T 82.02 6.52 9.33 17.44 102.20 -141.26 -70.38 -7.94 68.55 1.04 30.41 26.75 12.97 29.14 4.90 25.11 0.00 0.46 0.66 49 Q C T 144.63 1.64 11.81 14.11 100.05 66.65 -78.82 -6.12 61.46 0.96 37.58 15.47 12.05 34.07 6.27 31.03 0.01 0.46 0.65 50 L C G 112.86 3.55 10.47 15.47 104.08 61.30 -88.72 8.09 57.51 1.96 40.52 16.27 14.33 27.73 6.16 33.37 0.02 0.96 1.15 51 F C T 127.62 5.80 10.46 17.53 104.06 28.45 -98.38 45.75 67.96 3.66 28.38 21.14 16.80 30.99 6.04 20.91 0.05 1.63 2.45 52 G C T 49.50 4.29 14.75 20.20 104.61 -114.85 59.17 28.86 85.19 2.35 12.46 20.96 21.17 43.35 2.56 9.39 0.01 1.08 1.48 53 G C C 38.17 7.75 15.86 24.38 109.01 -71.99 91.67 1.76 91.15 3.34 5.51 32.28 32.03 27.26 1.29 3.93 0.00 1.59 1.62 54 F C C 62.36 16.02 13.59 29.30 118.23 19.68 -95.72 136.24 82.50 15.74 1.77 66.37 12.76 1.84 1.04 0.72 0.00 4.95 12.33 55 G C C 22.73 9.25 20.53 30.25 125.72 -151.04 -94.88 168.35 89.78 7.11 3.11 79.06 8.49 1.01 3.19 0.36 0.00 1.69 6.18 56 L H H 72.00 13.71 18.20 31.63 92.59 -99.25 -60.88 -38.36 1.69 0.00 98.31 0.37 0.28 0.87 98.27 0.21 0.00 0.00 0.00 57 P H H 67.06 7.09 22.49 30.00 91.83 53.55 -63.94 -40.05 0.64 0.00 99.36 0.11 0.05 0.40 99.23 0.21 0.00 0.00 0.00 58 A H H 26.48 13.06 20.86 34.26 91.90 50.36 -65.10 -40.87 0.14 0.00 99.86 0.02 0.01 0.08 99.74 0.15 0.00 0.00 0.00 59 V H H 24.81 19.25 20.70 39.10 91.75 49.45 -63.33 -42.74 0.07 0.00 99.93 0.01 0.00 0.04 99.87 0.07 0.00 0.00 0.00 60 L H H 60.10 12.43 24.64 36.74 91.61 49.55 -63.81 -42.21 0.11 0.00 99.89 0.01 0.01 0.07 99.87 0.04 0.00 0.00 0.00 61 A H H 41.24 7.98 25.71 34.14 91.55 50.06 -64.09 -42.12 0.29 0.00 99.71 0.02 0.01 0.21 99.66 0.09 0.00 0.00 0.00 62 T H H 24.65 16.18 24.35 40.12 92.15 48.73 -65.36 -41.56 0.94 0.00 99.06 0.05 0.04 0.79 98.91 0.21 0.00 0.00 0.00 63 A H H 16.43 19.61 23.87 42.36 92.55 50.84 -64.42 -41.43 3.36 0.00 96.63 0.17 0.16 2.85 96.44 0.37 0.00 0.00 0.00 64 S H H 38.85 11.19 25.93 37.14 92.18 50.82 -64.43 -41.75 6.66 0.02 93.32 0.64 0.55 5.22 93.06 0.50 0.01 0.01 0.02 65 F H H 83.97 7.79 27.58 35.89 91.74 49.34 -64.75 -42.18 2.57 0.01 97.42 0.36 0.31 1.81 97.14 0.37 0.01 0.00 0.01 66 G H H 8.18 18.84 22.26 40.63 91.75 51.45 -63.50 -42.43 1.78 0.01 98.22 0.33 0.18 1.19 97.93 0.36 0.00 0.00 0.00 67 H H H 46.81 18.16 23.35 40.07 91.78 50.72 -64.28 -41.68 1.35 0.01 98.64 0.26 0.13 0.95 98.28 0.37 0.00 0.01 0.00 68 I H H 81.74 7.32 26.54 34.01 91.66 49.11 -64.12 -42.66 0.73 0.01 99.26 0.12 0.06 0.51 99.09 0.21 0.00 0.00 0.00 69 L H H 67.00 8.29 26.26 34.92 91.78 48.29 -64.75 -42.16 0.91 0.00 99.09 0.12 0.06 0.65 99.00 0.17 0.00 0.00 0.00 70 G H H 5.16 21.30 20.30 41.27 91.64 50.55 -64.05 -42.48 1.09 0.00 98.91 0.11 0.05 0.79 98.89 0.15 0.00 0.00 0.00 71 I H H 48.34 14.95 23.13 37.46 91.49 50.32 -63.06 -42.43 0.30 0.00 99.70 0.03 0.02 0.20 99.68 0.08 0.00 0.00 0.00 72 G H H 34.72 4.66 25.72 30.13 91.47 50.35 -63.58 -42.37 0.24 0.00 99.76 0.02 0.01 0.15 99.74 0.07 0.00 0.00 0.00 73 V H H 45.44 11.49 23.19 34.80 91.83 49.07 -64.64 -42.45 0.27 0.00 99.73 0.02 0.01 0.18 99.70 0.09 0.00 0.00 0.00 74 I H H 19.97 20.43 19.43 39.31 91.73 48.64 -63.84 -43.06 0.34 0.00 99.66 0.03 0.02 0.23 99.63 0.09 0.00 0.00 0.00 75 L H H 70.64 8.12 22.41 30.83 91.53 49.48 -63.31 -41.86 0.88 0.00 99.12 0.09 0.05 0.62 99.00 0.24 0.00 0.00 0.00 76 G H H 32.07 3.82 21.32 25.20 91.51 50.38 -63.83 -41.73 3.39 0.01 96.60 0.28 0.20 2.73 96.08 0.69 0.01 0.00 0.00 77 L H H 35.06 12.11 16.31 29.65 91.89 49.01 -66.20 -40.54 6.05 0.04 93.91 0.81 0.64 4.55 92.14 1.80 0.03 0.02 0.02 78 A H H 38.16 11.95 13.67 26.37 91.92 52.58 -63.95 -40.34 11.24 0.10 88.65 1.68 1.24 8.43 84.54 3.94 0.06 0.05 0.05 79 N H H 117.80 1.87 15.63 17.70 91.86 53.14 -68.51 -26.39 27.08 0.18 72.74 2.50 2.30 22.43 68.45 4.02 0.10 0.08 0.11 80 I C T 112.28 2.84 12.71 16.44 94.76 53.52 -86.52 -2.97 69.59 0.31 30.10 2.49 5.71 60.16 27.33 3.86 0.04 0.12 0.27 81 G C T 56.50 2.49 12.65 16.42 96.57 -108.04 78.87 9.97 94.33 0.36 5.32 8.41 8.96 77.24 3.89 1.13 0.00 0.17 0.19 82 N C C 96.07 4.94 12.26 18.76 99.27 114.62 -85.83 -6.10 97.49 1.09 1.42 89.23 2.12 6.39 0.72 0.39 0.00 0.54 0.62 83 L C C 63.74 15.03 11.63 25.87 106.02 74.41 -90.30 79.77 99.63 0.35 0.02 99.58 0.15 0.03 0.01 0.00 0.00 0.18 0.04