# 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 122.84 4.75 11.31 17.61 115.59 -151.45 -94.21 129.99 99.77 0.20 0.03 99.65 0.15 0.06 0.01 0.00 0.00 0.10 0.03 1 A C C 84.18 3.02 8.79 13.70 110.19 -131.47 -81.42 135.03 95.95 2.77 1.27 88.16 1.11 7.14 0.43 0.49 0.00 1.66 1.00 2 G C C 58.53 1.97 9.54 12.88 110.63 -6.99 -84.77 129.46 95.90 2.95 1.14 57.22 24.31 14.43 0.28 0.92 0.00 1.61 1.22 3 G C C 44.63 3.65 9.76 15.18 125.50 -138.94 -110.51 175.39 96.81 2.69 0.51 62.04 33.41 1.65 0.17 0.32 0.00 1.32 1.10 4 P C C 102.81 2.91 10.64 15.18 111.95 -63.71 -71.67 144.70 94.43 2.93 2.64 77.83 10.89 5.60 0.84 1.78 0.00 1.67 1.37 5 R C C 156.36 4.16 8.71 14.88 113.80 -133.88 -91.25 130.17 89.63 5.55 4.82 73.63 9.14 6.37 1.79 2.98 0.00 2.76 3.31 6 R C C 172.89 2.24 9.79 13.67 112.45 -139.80 -93.30 125.71 87.12 4.97 7.91 60.47 12.89 13.63 2.56 5.24 0.01 2.63 2.58 7 G C C 51.99 3.51 9.45 14.74 114.17 -34.57 80.23 167.60 86.29 2.14 11.56 38.11 20.98 27.76 3.26 7.75 0.01 0.99 1.14 8 G C C 51.02 3.17 10.31 15.18 118.09 -14.82 107.48 172.01 81.33 1.69 16.99 33.76 24.68 23.64 5.31 10.79 0.01 0.71 1.10 9 R C C 172.74 2.34 10.18 14.02 112.16 -82.66 -87.78 129.00 73.65 2.49 23.86 39.75 19.76 14.50 9.78 13.60 0.02 1.11 1.48 10 R C C 159.58 3.31 9.74 14.96 113.64 -146.83 -89.92 133.21 72.27 3.37 24.36 46.47 14.73 10.88 11.69 12.76 0.01 1.69 1.77 11 R C C 153.85 4.16 9.91 16.07 113.34 -131.29 -88.66 133.04 74.43 3.19 22.38 54.60 10.70 8.69 10.56 12.10 0.00 1.70 1.64 12 K C C 118.50 6.34 11.02 18.90 114.70 -127.63 -85.89 136.75 80.14 3.03 16.83 52.13 16.06 11.95 8.10 8.66 0.00 1.64 1.45 13 K C C 139.27 4.20 14.55 20.17 105.49 -140.83 -88.28 59.93 81.53 6.57 11.91 53.30 18.27 10.15 5.66 6.07 0.01 3.97 2.56 14 V C C 61.32 9.87 14.65 25.64 124.13 47.30 -114.79 144.77 81.84 14.66 3.50 65.75 13.07 1.64 2.70 1.08 0.00 5.89 9.87 15 C C C 21.98 14.86 14.35 30.24 114.43 -113.12 -75.01 141.66 91.08 6.17 2.75 84.92 5.29 0.75 2.69 0.39 0.00 2.43 3.53 16 Y H H 91.05 8.73 19.02 29.03 92.60 -125.54 -62.37 -35.51 9.30 0.18 90.51 1.41 1.95 6.80 86.51 2.98 0.17 0.08 0.10 17 F H H 33.87 16.43 14.94 31.63 92.29 53.54 -65.79 -40.28 8.96 0.20 90.84 0.87 1.25 7.44 85.27 4.71 0.27 0.10 0.09 18 T H H 54.10 10.30 15.37 26.36 94.21 46.19 -69.86 -39.03 7.05 0.18 92.77 0.95 0.96 5.48 85.99 6.27 0.17 0.11 0.08 19 A H H 67.73 4.88 15.56 21.63 92.64 54.83 -68.08 -30.40 14.20 0.20 85.60 1.11 1.59 11.86 79.15 5.81 0.25 0.10 0.12 20 N C T 89.74 5.42 14.69 21.42 95.62 44.95 -91.49 2.60 71.46 0.17 28.37 1.41 3.70 65.45 25.57 3.59 0.03 0.07 0.18 21 G C T 50.05 3.36 16.76 20.89 95.84 -111.69 75.67 17.05 98.76 0.10 1.15 7.71 4.06 87.25 0.49 0.39 0.00 0.06 0.04 22 I C C 40.60 16.29 9.48 25.57 111.34 151.91 -86.83 116.79 95.16 2.71 2.13 90.87 2.71 1.69 0.60 1.33 0.00 1.37 1.44 23 T C C 92.25 4.28 18.18 23.61 101.86 174.87 -102.31 -13.03 95.77 2.50 1.72 54.40 34.03 7.05 0.28 1.85 0.00 1.62 0.75 24 H C C 115.36 4.76 20.27 26.02 123.41 46.64 -122.50 131.76 86.96 11.24 1.80 55.12 24.65 7.16 0.33 1.97 0.00 7.50 3.27 25 I C C 24.62 21.81 11.61 32.75 121.29 -165.37 -114.89 130.58 87.12 12.35 0.53 83.32 3.47 0.37 0.22 0.32 0.00 7.45 4.85 26 D C C 65.13 6.08 22.06 28.62 109.89 -150.02 -99.26 114.39 96.72 2.97 0.32 95.92 1.02 0.26 0.09 0.14 0.00 1.65 0.93 27 Y C T 57.17 19.25 12.25 31.21 93.77 -164.89 -72.09 -15.29 91.15 0.25 8.60 3.07 5.25 82.49 0.73 8.19 0.00 0.14 0.13 28 K C T 139.12 3.55 18.16 22.59 92.18 65.95 -78.77 -13.31 91.11 0.17 8.72 1.92 6.57 82.29 0.66 8.37 0.00 0.09 0.09 29 D C C 63.09 7.41 15.15 24.19 106.73 77.14 -101.67 98.32 93.55 1.64 4.81 75.78 14.53 2.43 1.34 3.84 0.00 0.55 1.53 30 T H H 55.62 13.60 12.30 26.41 93.71 -175.60 -64.75 -32.84 6.95 0.05 93.00 1.77 1.22 4.09 86.72 6.14 0.01 0.02 0.03 31 E H H 128.68 1.78 19.28 20.40 91.55 59.30 -63.68 -38.94 2.56 0.01 97.43 0.16 0.19 2.16 90.17 7.30 0.00 0.00 0.00 32 L H H 35.80 11.01 16.69 29.24 92.18 50.52 -65.63 -40.78 1.16 0.01 98.83 0.08 0.08 0.96 92.15 6.72 0.00 0.00 0.00 33 L H H 7.20 24.12 12.91 36.98 91.49 52.38 -64.31 -40.00 1.06 0.00 98.93 0.09 0.08 0.81 92.62 6.40 0.00 0.00 0.00 34 K H H 111.23 8.35 19.77 28.82 90.86 56.17 -64.26 -32.69 6.15 0.03 93.83 0.26 0.27 5.26 73.61 20.55 0.01 0.01 0.01 35 R H H 137.36 3.93 22.94 26.97 91.82 56.13 -71.26 -26.05 24.85 0.05 75.10 0.40 0.82 24.04 54.51 20.13 0.04 0.02 0.04 36 F H H 20.04 20.13 15.98 36.50 96.75 48.17 -95.35 -7.55 41.98 0.25 57.77 1.43 2.68 36.31 41.86 17.32 0.09 0.14 0.18 37 I E B 27.88 18.56 13.68 32.39 122.37 87.81 -99.81 141.01 5.58 94.18 0.25 3.01 0.80 0.03 0.24 0.02 0.00 9.19 86.70 38 S C C 32.41 8.72 14.52 25.08 123.09 -132.75 -80.30 172.54 95.22 4.52 0.25 95.50 0.42 0.18 0.08 0.09 0.00 2.84 0.89 39 E C T 161.76 1.61 14.18 16.54 90.75 -89.99 -63.79 -20.97 97.98 0.86 1.16 0.54 3.74 94.08 0.14 0.82 0.00 0.50 0.19 40 R C T 165.63 1.53 16.43 17.33 93.01 55.32 -88.11 1.90 98.61 0.22 1.18 0.26 3.47 95.06 0.07 0.99 0.00 0.11 0.06 41 G C S 20.40 15.08 12.53 27.58 95.63 -106.74 82.18 9.62 99.14 0.41 0.45 10.48 87.25 1.60 0.03 0.31 0.00 0.17 0.16 42 K C C 101.93 4.84 21.45 27.11 121.39 135.09 -91.10 146.80 94.17 5.71 0.12 72.80 21.38 0.36 0.05 0.07 0.00 2.86 2.48 43 I E B 31.86 20.55 14.31 34.54 113.71 -111.78 -78.63 133.38 10.77 89.11 0.12 7.54 0.76 0.03 0.12 0.01 0.00 10.05 81.49 44 L C C 40.26 13.58 16.66 31.21 114.69 -116.69 -74.90 138.57 94.88 4.98 0.14 93.22 1.97 0.14 0.07 0.05 0.00 3.89 0.66 45 P C C 55.69 8.46 18.31 27.80 112.73 -104.80 -66.52 146.65 92.14 3.18 4.68 86.06 4.28 2.12 2.73 1.59 0.00 1.84 1.39 46 R C C 127.01 10.77 13.45 24.76 93.60 -118.59 -63.88 -27.04 64.35 2.69 32.97 24.71 18.55 22.23 14.71 16.91 0.06 1.26 1.56 47 R C C 164.62 2.42 16.88 19.82 94.33 65.15 -73.76 -17.78 59.22 6.05 34.73 25.16 15.00 20.59 16.64 16.60 0.22 3.17 2.62 48 V C C 65.33 10.65 13.40 24.69 99.44 59.14 -88.86 -6.54 59.60 9.38 31.02 33.96 13.91 12.35 18.04 12.63 0.19 5.19 3.75 49 T C C 49.48 14.27 12.48 26.41 104.13 70.17 -91.79 1.84 76.99 7.08 15.94 47.09 15.90 13.78 12.19 4.12 0.04 3.83 3.05 50 G C C 52.07 3.96 18.19 22.83 98.54 -114.04 80.34 7.42 89.65 5.05 5.30 38.11 37.45 14.91 2.89 2.07 0.02 2.78 1.76 51 T C C 39.02 15.45 10.48 25.71 120.78 119.00 -91.87 148.52 89.36 6.06 4.58 50.18 34.67 4.58 3.38 1.24 0.01 2.48 3.45 52 S C C 52.00 4.28 17.52 22.36 118.54 -109.18 -75.78 159.95 92.27 3.92 3.81 85.19 5.50 1.37 3.40 0.65 0.00 1.56 2.33 53 A H H 69.31 5.59 13.99 21.22 92.25 -109.07 -59.16 -37.77 2.34 0.01 97.64 0.64 0.44 1.07 97.47 0.37 0.00 0.00 0.00 54 K H H 135.53 1.74 18.59 19.68 91.77 53.27 -64.29 -40.57 0.96 0.00 99.04 0.15 0.09 0.61 98.78 0.36 0.00 0.00 0.00 55 Y H H 64.83 11.89 16.52 29.15 92.40 47.97 -66.34 -40.55 0.38 0.00 99.62 0.07 0.03 0.22 99.34 0.33 0.00 0.00 0.00 56 Q H H 41.63 16.13 15.81 31.79 91.85 52.46 -63.00 -42.01 0.16 0.00 99.84 0.03 0.01 0.09 99.79 0.08 0.00 0.00 0.00 57 R H H 133.11 3.09 22.45 25.30 91.68 50.33 -64.14 -41.11 0.18 0.00 99.82 0.02 0.01 0.12 99.81 0.05 0.00 0.00 0.00 58 M H H 82.45 6.54 22.11 28.89 91.70 49.47 -64.62 -41.24 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 59 L H H 15.13 20.79 17.72 38.57 92.38 50.00 -65.22 -41.94 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.02 0.00 0.00 0.00 60 T H H 42.28 12.06 21.51 33.73 91.57 50.71 -63.41 -42.28 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.02 0.00 0.00 0.00 61 T H H 67.02 3.04 24.69 26.84 91.50 49.14 -64.15 -42.41 0.13 0.00 99.87 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 62 A H H 20.21 12.20 20.56 33.88 91.71 50.15 -64.27 -42.57 0.19 0.00 99.81 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 63 I H H 19.07 19.63 18.56 38.02 91.99 49.81 -63.89 -42.90 0.27 0.00 99.73 0.03 0.01 0.18 99.73 0.05 0.00 0.00 0.00 64 K H H 99.63 6.12 22.97 29.53 91.61 50.65 -63.26 -41.92 0.36 0.00 99.64 0.04 0.02 0.23 99.63 0.07 0.00 0.00 0.00 65 R H H 114.13 3.96 22.85 26.49 91.75 49.33 -64.77 -41.50 0.45 0.00 99.55 0.06 0.03 0.29 99.48 0.14 0.00 0.00 0.00 66 S H H 14.45 14.35 15.92 31.72 91.90 51.17 -64.48 -41.69 0.60 0.00 99.40 0.10 0.04 0.38 99.15 0.33 0.00 0.00 0.00 67 R H H 85.64 11.41 16.61 28.45 92.21 51.09 -64.38 -40.23 0.98 0.00 99.01 0.12 0.06 0.71 98.59 0.52 0.00 0.00 0.00 68 H H H 121.52 2.93 17.38 20.74 92.46 50.16 -66.98 -37.22 1.82 0.01 98.17 0.13 0.09 1.51 97.78 0.49 0.00 0.00 0.00 69 M H H 103.07 4.50 14.94 20.32 94.49 49.30 -78.02 -20.03 10.15 0.02 89.83 0.34 0.43 9.83 88.57 0.79 0.02 0.01 0.01 70 A C T 67.37 5.62 14.56 21.10 97.95 26.51 -65.46 -4.92 64.32 0.05 35.62 0.70 1.72 60.88 35.58 1.04 0.01 0.02 0.04 71 L C T 94.35 5.70 14.56 21.35 98.20 74.32 -84.73 -11.96 79.16 0.27 20.58 4.14 8.31 64.34 21.31 1.57 0.01 0.09 0.23 72 L C C 61.50 10.92 10.46 22.25 112.23 68.96 -95.31 119.14 76.46 1.23 22.32 37.51 30.92 8.54 14.21 7.47 0.01 0.48 0.86 73 P C C 86.50 3.92 13.77 19.00 101.36 -133.74 -68.96 1.37 69.68 1.05 29.27 38.80 12.36 18.24 15.47 14.04 0.00 0.53 0.56 74 Y C C 142.04 4.57 12.18 18.23 104.16 62.18 -88.82 13.10 60.60 5.13 34.26 35.02 10.81 15.17 19.57 14.40 0.07 2.86 2.09 75 V C C 73.42 8.57 9.01 18.69 114.13 96.84 -93.47 127.66 63.41 5.61 30.98 46.59 8.76 7.67 21.65 9.86 0.02 3.33 2.11 76 K C C 140.07 2.94 10.33 14.88 110.47 -142.23 -90.58 115.31 64.56 3.48 31.96 41.08 12.10 11.29 21.37 10.86 0.03 1.96 1.31 77 E C C 137.23 2.65 9.00 13.28 108.57 -134.60 -86.24 113.63 67.72 2.56 29.72 38.67 13.93 15.48 17.17 12.30 0.04 1.36 1.05 78 E C C 134.69 3.16 8.08 13.10 108.77 -141.04 -86.17 112.07 78.78 1.64 19.59 67.91 2.00 10.82 11.65 5.93 0.00 0.99 0.71 79 Q C C 129.22 3.16 10.55 15.50 109.82 -156.80 -91.49 114.04 99.67 0.13 0.19 99.35 0.18 0.23 0.11 0.02 0.00 0.07 0.02