# 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 102.59 6.02 10.22 17.83 115.04 -169.00 -96.40 128.81 99.83 0.15 0.02 99.84 0.06 0.01 0.01 0.00 0.00 0.06 0.02 1 N C C 94.61 2.44 10.28 13.87 115.66 -146.15 -89.53 155.48 78.47 9.79 11.74 77.39 0.74 1.12 11.77 0.37 0.00 2.39 6.22 2 L H H 126.79 1.50 9.34 11.72 94.10 -114.76 -63.46 -36.03 4.96 0.03 95.01 1.42 0.64 2.72 94.38 0.81 0.00 0.01 0.01 3 L H H 114.72 1.11 10.52 11.66 92.43 53.45 -65.98 -38.96 2.08 0.01 97.91 0.40 0.20 1.30 97.23 0.86 0.00 0.00 0.00 4 Q H H 97.28 2.27 11.00 14.35 92.44 51.71 -65.95 -39.38 1.23 0.01 98.76 0.33 0.13 0.69 97.87 0.98 0.00 0.01 0.00 5 V H H 79.45 2.43 11.63 15.13 92.29 51.13 -64.88 -41.33 0.91 0.01 99.08 0.28 0.09 0.49 98.79 0.33 0.00 0.01 0.00 6 V H H 85.54 1.70 13.33 15.08 92.09 49.52 -64.58 -41.36 0.70 0.01 99.29 0.20 0.06 0.38 99.15 0.21 0.00 0.00 0.00 7 R H H 132.60 1.77 13.42 15.31 92.13 50.32 -64.71 -40.60 0.79 0.00 99.21 0.11 0.04 0.53 99.01 0.30 0.00 0.00 0.00 8 D H H 80.07 2.52 13.25 16.53 92.34 50.49 -65.51 -39.97 1.91 0.00 98.08 0.16 0.10 1.54 97.79 0.41 0.00 0.00 0.00 9 H H H 106.53 2.47 13.06 16.26 92.50 50.79 -65.74 -39.67 4.38 0.01 95.61 0.31 0.23 3.71 95.16 0.58 0.00 0.00 0.00 10 W H H 148.49 1.96 13.16 15.50 92.36 51.34 -65.07 -40.64 2.65 0.01 97.34 0.29 0.18 2.00 95.40 2.12 0.00 0.00 0.00 11 I H H 100.73 2.05 13.11 15.63 92.78 49.37 -66.31 -39.83 2.49 0.01 97.51 0.13 0.11 2.17 93.65 3.93 0.00 0.00 0.00 12 H H H 123.02 2.01 13.00 15.43 94.10 47.37 -70.72 -35.63 6.65 0.01 93.34 0.16 0.22 6.40 89.60 3.59 0.01 0.00 0.00 13 V H H 90.11 2.15 13.02 15.63 96.22 45.75 -74.66 -37.18 22.77 0.05 77.18 0.72 1.44 20.73 74.58 2.42 0.06 0.01 0.04 14 L H H 98.14 2.28 12.92 15.77 95.31 48.00 -72.74 -35.61 34.32 0.74 64.94 8.55 8.48 19.02 57.23 5.82 0.15 0.31 0.43 15 V H H 81.22 2.83 12.44 16.28 96.05 57.30 -68.60 -40.84 33.96 0.65 65.39 9.06 5.06 19.36 47.22 18.55 0.08 0.37 0.30 16 P H H 84.47 2.13 13.85 16.20 93.87 48.43 -67.10 -36.32 31.84 0.60 67.55 10.06 3.41 17.64 49.72 18.52 0.03 0.36 0.26 17 V H H 90.43 2.15 13.53 15.97 94.27 50.56 -68.24 -36.89 19.78 0.54 79.68 7.31 3.16 9.63 62.69 16.62 0.05 0.30 0.23 18 G H H 39.34 2.70 13.42 16.97 93.72 53.75 -64.84 -40.29 15.86 0.29 83.86 4.17 2.04 10.01 78.55 4.92 0.04 0.15 0.12 19 F H H 122.15 2.14 14.03 16.47 93.29 49.75 -66.62 -40.49 8.03 0.17 91.80 2.07 0.93 5.11 87.85 3.86 0.02 0.11 0.05 20 V H H 81.96 2.44 14.38 17.32 92.42 49.93 -64.74 -41.95 2.95 0.15 96.90 0.92 0.40 1.71 94.76 2.05 0.01 0.11 0.03 21 F H H 117.86 1.92 15.04 16.82 92.12 49.01 -65.26 -41.47 1.78 0.09 98.13 0.49 0.21 1.07 97.03 1.10 0.01 0.07 0.01 22 G H H 33.50 2.80 14.21 18.02 92.16 50.96 -63.53 -41.71 1.81 0.04 98.16 0.40 0.17 1.18 97.33 0.88 0.01 0.02 0.01 23 Y H H 122.44 2.37 14.73 17.43 92.02 49.48 -64.89 -41.62 1.62 0.03 98.36 0.32 0.15 1.11 97.47 0.92 0.01 0.01 0.01 24 Y H H 126.16 2.10 15.01 17.21 92.18 49.72 -64.40 -41.89 2.17 0.03 97.80 0.41 0.21 1.52 96.86 0.95 0.01 0.02 0.01 25 L H H 92.42 1.89 14.98 16.74 91.95 49.12 -65.02 -40.95 3.63 0.04 96.33 0.75 0.40 2.44 95.19 1.17 0.01 0.02 0.02 26 D H H 78.81 2.32 14.70 17.38 92.01 50.89 -65.20 -40.33 8.14 0.04 91.82 1.60 0.82 5.44 91.00 1.08 0.01 0.02 0.03 27 R H H 132.53 2.11 14.96 17.13 92.27 49.98 -65.52 -39.68 12.83 0.05 87.12 2.85 1.40 8.17 86.16 1.37 0.01 0.02 0.03 28 K H H 113.46 2.09 15.06 17.21 92.37 51.34 -64.98 -40.41 13.19 0.08 86.73 4.63 1.92 6.42 85.55 1.39 0.01 0.03 0.05 29 N H H 86.04 2.36 14.62 17.29 92.47 50.63 -65.75 -39.76 12.31 0.08 87.61 5.77 1.60 4.76 86.61 1.19 0.00 0.03 0.04 30 D H H 82.80 2.29 14.65 17.16 92.62 50.26 -65.56 -40.36 6.16 0.04 93.80 2.67 0.91 2.44 93.03 0.92 0.00 0.01 0.01 31 E H H 114.66 1.62 15.21 16.30 92.29 49.94 -65.54 -40.37 2.55 0.02 97.43 0.79 0.34 1.28 96.86 0.73 0.00 0.01 0.00 32 K H H 119.14 2.00 15.27 17.21 92.33 49.85 -65.37 -41.11 1.98 0.01 98.00 0.52 0.24 1.12 97.34 0.77 0.01 0.01 0.00 33 L H H 84.09 3.06 14.11 18.16 92.20 50.27 -64.79 -40.71 1.99 0.01 97.99 0.45 0.21 1.20 97.23 0.90 0.01 0.01 0.00 34 A H H 56.87 2.28 14.96 17.51 91.83 50.96 -64.14 -41.06 3.13 0.02 96.86 0.57 0.30 2.05 95.84 1.23 0.01 0.01 0.00 35 A H H 60.05 1.97 15.02 16.89 92.10 50.58 -64.87 -40.22 7.20 0.02 92.77 0.83 0.58 5.41 91.42 1.73 0.01 0.01 0.01 36 F H H 110.79 2.94 13.66 17.46 93.12 48.64 -67.50 -38.78 13.86 0.11 86.03 2.92 1.74 9.32 82.74 3.14 0.03 0.04 0.06 37 R H H 132.43 3.17 13.07 17.44 92.67 53.69 -64.82 -38.37 19.81 0.22 79.97 4.91 2.63 12.50 75.47 4.23 0.05 0.09 0.12 38 N H H 102.26 1.77 13.88 15.56 94.72 51.55 -73.58 -26.90 30.29 0.31 69.40 8.12 3.98 18.49 64.61 4.46 0.04 0.13 0.18 39 K H H 120.91 2.37 13.18 16.05 95.35 56.73 -73.65 -31.20 32.89 0.57 66.54 11.08 7.19 15.79 59.73 5.59 0.07 0.25 0.31 40 S H H 43.83 5.84 9.90 17.72 95.84 60.11 -74.24 -27.42 34.06 1.15 64.80 16.59 6.07 13.16 55.11 7.82 0.08 0.55 0.61 41 L H H 110.08 2.30 10.97 14.42 93.41 61.39 -67.93 -34.65 27.48 0.53 71.99 6.14 3.88 16.15 51.71 21.46 0.11 0.28 0.26 42 L H H 129.32 1.14 10.91 12.13 94.46 51.34 -72.00 -33.34 31.78 0.51 67.70 4.00 4.06 21.95 48.53 20.72 0.19 0.26 0.29 43 Y C T 154.88 2.06 9.82 12.92 98.57 39.51 -94.09 2.42 50.73 0.99 48.28 6.64 9.37 33.99 32.16 16.52 0.18 0.46 0.68 44 K C T 167.80 1.28 10.53 12.68 96.88 -125.14 54.06 36.04 92.19 0.90 6.91 37.27 10.50 45.11 3.74 2.49 0.00 0.49 0.41 45 R C C 131.16 3.72 8.69 14.61 121.33 148.73 -98.02 148.05 96.49 2.54 0.97 84.26 10.25 1.99 0.34 0.59 0.00 1.44 1.12 46 E C C 154.17 1.17 13.12 14.55 114.26 -109.43 -79.44 134.87 93.73 5.84 0.43 91.15 2.26 0.62 0.15 0.22 0.00 3.24 2.38 47 L C C 78.20 10.51 6.75 17.53 116.94 -125.44 -81.45 141.12 90.22 9.69 0.09 87.75 2.43 0.10 0.04 0.03 0.00 3.05 6.59 48 K C C 124.09 2.28 10.92 14.41 117.43 -112.85 -73.37 150.24 99.83 0.15 0.02 99.20 0.63 0.04 0.00 0.00 0.00 0.05 0.07 49 P C T 117.90 1.47 9.23 11.93 102.13 -99.80 -60.92 139.00 99.09 0.07 0.83 1.32 3.40 94.35 0.04 0.82 0.00 0.03 0.04 50 N C T 144.11 0.44 10.51 9.82 95.91 25.41 33.02 5.86 98.87 0.06 1.07 1.45 3.51 93.79 0.05 1.15 0.00 0.03 0.02 51 E C C 96.15 5.59 7.01 14.65 116.90 130.58 -82.94 143.05 95.17 0.96 3.87 67.64 25.37 2.07 0.76 3.00 0.00 0.34 0.81 52 E C C 152.91 1.13 12.27 13.72 114.95 -118.84 -80.91 138.13 96.27 1.48 2.25 88.98 5.79 1.58 0.80 1.29 0.00 0.66 0.91 53 V C C 86.61 8.05 7.47 16.65 114.14 -120.44 -82.86 135.17 95.03 2.37 2.60 87.87 4.71 2.60 0.69 1.78 0.00 1.29 1.07 54 T C C 94.19 2.96 9.97 14.46 107.55 -162.80 -94.48 19.31 93.74 3.28 2.98 77.85 9.79 5.70 0.88 2.17 0.00 1.75 1.86 55 W C C 170.44 4.05 7.54 13.34 107.10 93.99 -93.77 55.15 95.32 2.74 1.94 87.91 2.85 4.64 0.69 0.97 0.00 1.24 1.70 56 K C C 159.39 1.58 11.57 14.08 109.41 -140.79 -87.22 114.31 99.95 0.04 0.01 99.89 0.06 0.02 0.00 0.00 0.00 0.02 0.01