# 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 L C C 65.90 13.95 13.98 27.76 117.25 -167.03 -99.17 126.96 99.60 0.35 0.05 99.55 0.12 0.06 0.02 0.00 0.00 0.20 0.03 1 S C C 66.60 5.54 15.11 22.00 119.56 -160.11 -102.84 143.57 87.99 6.62 5.39 84.44 1.19 2.71 4.30 0.91 0.00 4.71 1.73 2 V C C 76.92 10.00 10.99 21.72 113.03 -151.48 -98.16 122.94 72.32 11.88 15.80 54.17 10.37 6.74 13.46 3.51 0.03 8.77 2.95 3 R C C 131.89 5.82 13.88 20.94 110.49 -147.84 -89.53 124.35 72.04 8.94 19.01 53.59 10.67 6.94 16.06 4.06 0.03 6.60 2.06 4 T C C 63.92 10.64 12.58 23.69 107.36 95.72 -88.96 14.48 60.05 5.43 34.52 42.45 9.86 7.85 26.92 7.70 0.02 3.75 1.45 5 E C H 111.86 6.20 15.47 22.77 98.69 77.53 -72.43 -26.67 49.83 3.79 46.38 22.90 11.73 16.20 34.42 10.97 0.08 2.63 1.06 6 D C H 74.36 8.15 16.56 25.35 99.84 53.97 -83.67 3.99 51.32 3.43 45.25 27.01 9.21 15.80 32.94 11.65 0.04 2.37 0.98 7 F C H 52.99 15.36 15.12 30.26 97.48 98.03 -74.46 -25.48 48.13 5.00 46.87 22.95 10.43 15.88 34.95 10.86 0.13 3.26 1.54 8 F C H 64.71 14.20 15.89 30.05 102.39 55.02 -92.58 11.19 55.03 5.74 39.23 27.27 12.17 16.88 30.28 7.85 0.17 3.46 1.91 9 S C C 42.62 8.53 16.67 26.24 112.93 108.17 -82.24 148.63 65.06 2.55 32.40 36.29 23.72 5.35 30.29 2.29 0.02 1.06 0.99 10 K H H 131.88 4.92 16.47 22.74 93.64 -105.08 -63.26 -35.49 13.48 0.47 86.06 4.91 3.27 6.67 80.57 4.06 0.06 0.30 0.15 11 E H H 106.04 4.27 19.26 23.86 92.87 52.22 -67.42 -39.25 10.99 0.63 88.38 3.86 1.89 5.98 82.47 5.06 0.07 0.53 0.15 12 A H H 17.53 15.47 15.38 31.44 92.66 50.39 -66.39 -40.28 9.93 1.07 89.00 4.56 1.68 4.53 82.84 5.17 0.04 0.98 0.18 13 I H H 42.04 14.80 16.68 31.55 92.72 51.15 -65.78 -39.28 10.61 1.65 87.75 5.42 1.87 4.40 82.40 4.16 0.04 1.46 0.25 14 S H H 58.45 4.86 20.93 25.91 92.81 54.08 -66.76 -36.95 19.22 1.61 79.17 7.37 2.81 9.94 74.06 4.09 0.08 1.32 0.33 15 H H H 86.37 8.79 19.26 28.47 95.78 52.68 -75.79 -25.77 29.54 1.89 68.57 9.77 4.78 16.19 62.66 4.54 0.12 1.46 0.47 16 A H H 22.07 18.95 14.41 32.68 99.52 74.55 -74.55 -19.72 35.18 4.06 60.76 20.87 6.43 9.63 54.18 4.95 0.06 3.00 0.88 17 R H H 118.02 9.38 19.48 29.02 103.58 64.71 -79.67 19.74 37.49 10.48 52.03 21.94 6.41 10.16 45.00 5.95 0.11 8.89 1.52 18 R H H 123.84 8.11 19.15 27.43 104.24 75.16 -84.86 28.87 35.53 17.49 46.98 21.47 6.00 8.68 39.70 6.50 0.14 15.46 2.04 19 V H H 46.56 15.74 15.40 30.82 108.96 78.10 -88.57 103.08 38.41 20.23 41.36 23.34 6.95 8.67 34.03 6.85 0.19 17.58 2.38 20 S C C 53.64 10.49 18.57 29.23 108.17 129.45 -91.36 100.09 52.71 17.67 29.61 30.34 8.57 13.56 24.24 6.09 0.16 14.48 2.56 21 W C C 104.93 12.87 16.09 28.96 111.52 91.34 -99.93 102.28 67.08 15.09 17.83 37.92 17.16 12.55 12.98 5.19 0.13 10.47 3.59 22 A C C 44.18 10.47 16.22 27.62 121.18 164.57 -102.75 141.14 89.26 7.75 2.99 59.41 27.36 3.01 1.85 1.12 0.00 5.35 1.90 23 P C C 71.07 9.81 16.09 26.48 109.16 -105.43 -69.11 138.21 89.67 3.75 6.58 57.66 18.79 13.57 2.75 3.59 0.00 2.60 1.04 24 H C C 97.55 9.93 14.55 25.09 110.12 -144.46 -94.10 108.42 85.91 5.47 8.62 57.79 14.70 13.31 4.45 4.12 0.01 3.04 2.58 25 T C C 67.27 10.08 12.69 23.54 110.99 144.73 -99.78 92.07 87.70 4.10 8.20 55.52 25.00 7.35 4.99 3.16 0.01 2.07 1.90 26 T C C 65.94 4.16 15.30 20.34 122.03 -10.48 -94.80 162.80 85.28 4.50 10.21 50.81 31.59 3.09 9.03 1.54 0.01 1.53 2.40 27 E H H 136.17 3.55 13.55 18.84 92.73 -106.69 -60.21 -37.18 11.71 0.26 88.03 4.37 2.90 5.30 83.49 3.67 0.03 0.14 0.10 28 K H H 137.43 2.30 16.84 19.50 92.12 52.80 -65.22 -39.31 9.31 0.21 90.48 2.97 1.45 5.21 85.89 4.25 0.03 0.13 0.07 29 K H H 60.65 12.95 15.51 28.78 92.89 47.86 -67.55 -38.48 6.98 0.31 92.71 3.11 1.08 3.29 87.69 4.53 0.01 0.21 0.08 30 Q H H 54.60 14.67 17.04 31.55 92.12 53.94 -63.01 -41.67 2.47 0.06 97.47 1.14 0.36 1.07 96.65 0.73 0.00 0.03 0.01 31 G H H 29.57 5.31 22.03 27.92 91.84 51.17 -63.61 -41.94 2.04 0.02 97.93 0.64 0.20 1.11 97.72 0.31 0.00 0.01 0.01 32 A H H 30.19 7.99 22.34 31.39 91.69 50.36 -64.28 -42.55 0.85 0.01 99.14 0.30 0.08 0.41 99.04 0.16 0.00 0.00 0.00 33 F H H 24.81 19.18 20.36 39.18 92.00 49.51 -64.27 -42.92 0.43 0.01 99.57 0.13 0.04 0.22 99.52 0.09 0.00 0.00 0.00 34 A H H 23.22 13.91 21.08 35.34 91.72 50.94 -63.24 -42.35 0.30 0.00 99.70 0.07 0.02 0.16 99.68 0.06 0.00 0.00 0.00 35 K H H 111.59 3.53 25.50 28.83 91.68 49.98 -64.32 -41.77 0.45 0.00 99.55 0.07 0.03 0.30 99.50 0.09 0.00 0.00 0.00 36 L H H 39.18 11.33 21.34 33.43 91.99 49.17 -64.85 -41.98 0.91 0.00 99.09 0.13 0.06 0.65 98.99 0.17 0.00 0.00 0.00 37 A H H 11.39 17.77 16.40 34.81 91.90 51.26 -63.92 -41.52 2.56 0.02 97.42 0.39 0.23 1.88 97.03 0.45 0.01 0.01 0.01 38 R H H 110.38 7.76 18.66 27.03 92.54 50.58 -66.27 -38.30 5.44 0.06 94.50 0.85 0.56 4.06 92.75 1.69 0.02 0.03 0.03 39 S H H 69.43 3.43 18.77 22.32 93.53 52.13 -69.62 -31.09 10.19 0.06 89.76 0.86 0.82 8.48 87.26 2.48 0.04 0.03 0.03 40 N H H 70.79 10.27 15.26 25.95 99.51 42.88 -89.43 -22.85 21.78 0.12 78.10 1.52 1.97 18.24 75.91 2.18 0.07 0.04 0.07 41 F H H 79.52 11.78 12.39 24.58 103.18 40.31 -98.64 0.50 49.08 1.02 49.90 10.24 13.05 27.66 45.57 2.25 0.17 0.31 0.74 42 G C C 55.78 2.28 16.07 18.90 104.04 -122.42 72.08 14.51 97.40 0.90 1.70 46.89 20.06 30.71 0.64 0.84 0.00 0.42 0.45 43 D C C 88.55 5.59 13.55 20.70 119.18 75.25 -106.45 133.77 98.65 1.05 0.29 63.03 34.43 1.30 0.09 0.18 0.00 0.45 0.52 44 P C C 76.90 7.44 15.14 23.59 113.02 -106.14 -69.38 148.33 97.68 1.76 0.55 76.69 18.56 2.41 0.16 0.38 0.00 0.82 0.98 45 L C C 71.91 12.96 13.42 26.55 116.60 -119.00 -85.75 139.69 94.54 4.78 0.68 79.33 14.35 0.87 0.36 0.31 0.00 2.35 2.43 46 P C C 48.33 11.87 13.38 26.24 111.89 -105.76 -66.40 147.75 86.15 3.65 10.20 75.95 5.52 4.86 3.94 5.99 0.00 2.21 1.53 47 S C C 81.01 3.67 15.46 20.41 97.94 -128.97 -69.34 -28.97 65.12 3.00 31.88 32.38 14.88 18.37 8.55 22.95 0.01 1.60 1.27 48 S C C 62.82 5.10 16.40 22.24 99.15 49.88 -81.15 -8.16 60.83 2.78 36.40 34.35 10.17 16.22 9.50 27.13 0.01 1.52 1.10 49 F H G 36.39 18.93 9.83 27.67 95.35 94.58 -74.75 -18.71 40.06 2.04 57.89 24.93 6.54 9.07 10.83 46.85 0.00 1.24 0.54 50 A H G 65.57 7.25 14.41 22.94 93.95 76.08 -68.69 -22.82 47.34 1.56 51.10 17.47 9.04 21.60 8.14 42.28 0.01 0.92 0.54 51 Q C G 137.05 1.83 16.21 17.86 96.48 56.38 -88.60 -3.79 52.29 1.22 46.48 15.88 11.85 25.69 5.97 39.41 0.01 0.61 0.58 52 E C C 51.74 13.53 8.94 22.89 116.32 103.54 -84.23 133.25 94.30 0.59 5.11 54.24 38.08 1.74 4.52 0.71 0.00 0.14 0.57 53 P C H 93.32 2.46 17.06 19.62 93.73 -128.72 -61.15 -30.66 50.24 0.19 49.57 6.92 4.70 37.63 45.90 4.63 0.02 0.08 0.12 54 Y H H 88.19 9.07 15.38 25.62 94.42 54.53 -72.95 -23.28 41.11 0.34 58.54 6.59 3.52 30.64 53.97 4.86 0.05 0.17 0.19 55 F H H 24.04 18.48 12.89 31.35 93.42 64.68 -66.25 -39.25 8.42 0.28 91.30 5.73 1.14 2.39 87.33 3.15 0.00 0.18 0.08 56 E H H 96.14 6.90 18.72 26.39 92.21 54.66 -64.00 -41.11 1.55 0.07 98.39 0.88 0.22 0.58 97.42 0.83 0.00 0.05 0.01 57 E H H 106.38 2.57 21.49 23.05 92.24 49.58 -65.82 -40.89 0.70 0.05 99.25 0.34 0.09 0.31 98.64 0.57 0.00 0.04 0.00 58 E H H 51.73 12.06 18.44 31.12 92.57 49.99 -65.59 -41.26 0.56 0.03 99.41 0.23 0.06 0.28 98.99 0.41 0.00 0.03 0.00 59 I H H 22.48 17.25 16.23 33.81 92.12 49.99 -64.28 -42.36 0.62 0.03 99.34 0.22 0.06 0.33 99.01 0.35 0.00 0.02 0.00 60 E H H 91.95 4.20 20.77 25.21 91.89 50.71 -63.76 -41.04 1.15 0.03 98.82 0.28 0.09 0.73 98.40 0.47 0.00 0.02 0.00 61 A H H 44.11 4.32 18.79 23.99 92.01 51.06 -64.40 -40.65 3.75 0.04 96.21 0.56 0.27 2.83 95.45 0.85 0.00 0.02 0.01 62 H H H 43.57 13.58 15.12 29.37 92.90 49.97 -67.62 -37.88 11.37 0.15 88.48 2.15 1.10 8.20 86.91 1.47 0.03 0.07 0.07 63 R H H 92.48 12.03 14.11 26.43 92.95 56.27 -66.21 -33.61 25.21 0.54 74.26 6.51 2.97 16.29 70.84 2.79 0.07 0.26 0.27 64 K H H 146.43 1.94 16.46 18.40 93.81 55.87 -72.21 -25.64 43.56 0.59 55.86 6.85 4.83 31.74 52.53 3.40 0.07 0.28 0.30 65 H C H 123.24 3.63 14.58 19.13 101.44 38.82 -98.08 -9.11 57.65 1.09 41.26 13.06 9.58 35.08 37.90 3.27 0.07 0.47 0.56 66 H C C 82.87 10.97 11.64 23.21 116.79 61.20 -109.69 128.66 82.81 4.07 13.12 48.10 22.98 11.22 11.48 2.30 0.02 1.76 2.15 67 R C C 136.33 5.85 16.12 23.23 115.10 -145.96 -99.24 128.89 94.71 3.26 2.04 75.23 17.48 1.97 1.67 0.56 0.00 1.94 1.17 68 P C C 52.36 13.83 13.66 27.57 110.84 -118.06 -69.17 144.72 86.84 3.22 9.94 69.04 9.56 7.80 7.40 2.97 0.00 2.22 1.02 69 D C C 76.80 8.89 18.24 27.52 104.07 -136.82 -82.63 64.66 68.32 12.48 19.21 46.71 12.50 8.56 15.11 4.85 0.05 9.62 2.59 70 V C C 41.40 14.79 15.49 30.43 108.33 121.35 -90.13 87.04 44.20 26.23 29.57 32.65 6.79 4.68 24.41 5.28 0.10 23.47 2.62 71 Y C E 87.03 9.93 19.04 29.45 105.76 -137.37 -80.01 87.64 36.75 32.97 30.28 29.03 3.48 3.53 25.14 5.25 0.06 31.31 2.20 72 I H H 46.37 16.59 14.95 31.07 97.46 59.14 -75.12 -30.81 30.58 29.88 39.53 21.92 4.21 4.94 30.54 8.44 0.13 28.05 1.76 73 Y H H 113.80 8.68 16.52 25.76 97.19 60.61 -75.53 -24.95 34.13 27.54 38.33 21.39 5.64 7.89 27.99 9.98 0.27 25.00 1.84 74 K C H 109.03 7.14 16.83 24.51 99.43 55.92 -84.94 -12.66 40.09 24.53 35.38 23.19 7.41 10.29 24.74 10.55 0.28 21.53 2.01 75 Y C C 79.35 14.06 13.05 26.94 109.97 65.71 -101.05 93.09 50.41 25.77 23.82 28.64 10.64 12.11 16.42 7.37 0.31 21.95 2.56 76 N C C 94.05 6.33 17.66 24.81 110.52 -159.41 -97.11 112.62 60.69 27.45 11.87 39.12 10.08 11.49 7.64 4.34 0.11 24.21 3.01 77 V C C 54.85 14.65 11.68 26.38 115.73 -169.63 -100.69 126.20 69.46 25.90 4.64 49.58 15.84 3.86 3.32 1.73 0.05 20.23 5.37 78 S C C 53.09 6.30 15.62 23.30 121.93 -161.29 -98.79 150.26 88.31 9.79 1.90 72.25 13.93 1.92 1.26 0.73 0.00 8.21 1.70 79 P C C 83.94 7.27 12.69 21.28 103.69 -107.54 -67.41 108.63 75.80 5.11 19.09 37.91 18.47 19.90 11.00 7.79 0.03 3.76 1.15 80 T C C 82.81 5.78 12.56 19.75 108.84 -115.74 -88.51 116.29 70.37 6.87 22.76 36.23 15.98 18.86 12.24 10.07 0.05 4.96 1.61 81 H C C 113.89 6.50 12.23 20.14 111.50 -128.39 -89.08 122.59 61.85 10.85 27.31 43.09 9.74 9.09 13.50 13.89 0.04 8.36 2.28 82 F C C 106.38 8.89 10.25 20.26 113.76 -141.89 -96.39 125.61 57.89 13.25 28.85 37.68 10.48 10.62 13.07 15.36 0.06 10.42 2.32 83 S C C 73.90 4.21 11.72 17.59 113.87 -151.52 -97.39 128.80 58.06 17.51 24.44 37.59 9.35 12.08 10.99 12.78 0.11 14.08 3.03 84 L C C 101.31 6.76 8.68 16.86 108.92 -150.05 -89.34 102.64 72.68 11.51 15.81 61.64 2.64 9.15 8.44 6.01 0.01 9.05 3.07 85 R C C 155.48 3.83 12.11 17.58 111.64 -160.35 -92.92 119.82 99.74 0.20 0.06 99.58 0.14 0.10 0.04 0.00 0.00 0.11 0.02