# 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 I C C 107.62 5.61 10.53 17.84 115.30 -161.72 -98.90 124.46 99.59 0.39 0.02 99.59 0.11 0.04 0.00 0.00 0.00 0.22 0.04 1 H C C 148.54 1.97 9.13 12.70 115.62 -165.11 -103.95 129.89 92.60 6.28 1.12 88.41 1.45 3.11 0.40 0.46 0.00 4.20 1.98 2 S C C 85.60 2.34 7.24 11.56 115.54 -165.18 -98.69 138.57 94.28 4.83 0.89 64.39 23.81 6.17 0.21 0.75 0.00 3.13 1.55 3 L C C 128.87 1.63 8.75 11.85 118.97 -134.49 -101.15 139.65 97.92 2.01 0.07 61.56 36.42 0.30 0.02 0.04 0.00 0.88 0.77 4 P C C 95.71 3.28 8.83 14.21 116.54 -102.08 -67.21 150.33 99.67 0.26 0.07 94.52 4.82 0.37 0.02 0.04 0.00 0.12 0.11 5 P C C 88.24 5.17 8.07 15.09 112.94 -102.31 -66.37 147.10 98.05 0.50 1.45 90.13 3.61 4.40 0.26 1.07 0.00 0.22 0.30 6 E C S 164.20 0.91 9.91 11.17 103.71 -132.87 -81.45 -6.49 96.61 1.14 2.26 36.52 48.66 11.48 0.39 1.82 0.00 0.54 0.59 7 G C S 52.03 1.76 11.10 13.69 126.34 20.86 -144.22 170.08 93.21 4.75 2.04 26.57 61.59 5.66 0.42 1.40 0.00 3.11 1.26 8 K C C 162.55 1.64 11.29 14.16 114.08 -79.02 -83.92 136.78 88.67 9.81 1.52 83.36 4.24 1.24 0.69 0.70 0.00 5.72 4.04 9 L C C 82.68 8.39 6.68 16.09 117.56 -143.21 -97.15 137.24 90.73 8.29 0.98 86.61 3.61 0.41 0.79 0.21 0.00 3.25 5.11 10 G C C 38.18 2.24 13.10 15.78 121.76 -123.57 -81.93 168.59 96.57 1.98 1.45 94.10 2.33 0.41 1.41 0.14 0.00 0.81 0.80 11 I H H 134.11 1.66 10.95 13.65 92.35 -96.79 -60.36 -36.69 1.85 0.01 98.14 0.44 0.32 0.89 98.08 0.26 0.00 0.00 0.00 12 M H H 132.67 0.92 13.16 13.20 91.91 51.96 -64.58 -39.99 0.81 0.00 99.19 0.17 0.09 0.43 99.08 0.23 0.00 0.00 0.00 13 E H H 93.53 3.89 12.51 17.91 91.95 49.34 -66.15 -39.80 0.27 0.00 99.73 0.07 0.03 0.13 99.61 0.16 0.00 0.00 0.00 14 L H H 74.25 5.81 12.57 20.12 91.98 51.10 -64.41 -41.56 0.13 0.00 99.87 0.03 0.01 0.06 99.85 0.04 0.00 0.00 0.00 15 A H H 62.56 1.93 15.92 17.49 91.74 50.12 -63.97 -41.67 0.14 0.00 99.86 0.03 0.01 0.07 99.86 0.03 0.00 0.00 0.00 16 V H H 87.55 1.73 16.73 17.64 92.06 49.01 -64.67 -41.91 0.11 0.00 99.89 0.02 0.01 0.06 99.90 0.02 0.00 0.00 0.00 17 G H H 28.50 5.08 14.21 21.07 91.60 50.27 -63.79 -41.89 0.12 0.00 99.88 0.01 0.01 0.07 99.90 0.02 0.00 0.00 0.00 18 L H H 87.63 3.65 15.94 20.50 91.76 49.85 -64.57 -41.35 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 19 T H H 77.79 1.92 16.77 18.10 91.94 49.98 -64.72 -41.44 0.12 0.00 99.88 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 20 S H H 60.66 2.36 16.14 18.52 91.94 49.86 -65.21 -41.63 0.19 0.00 99.81 0.01 0.01 0.14 99.80 0.05 0.00 0.00 0.00 21 C H H 65.68 4.03 14.78 19.91 92.36 49.38 -65.43 -41.56 0.37 0.00 99.63 0.02 0.01 0.30 99.56 0.11 0.00 0.00 0.00 22 F H H 113.46 2.80 15.19 18.60 92.03 50.52 -64.72 -41.37 0.61 0.00 99.39 0.04 0.03 0.47 99.14 0.32 0.00 0.00 0.00 23 V H H 88.81 1.80 15.45 16.88 92.07 49.77 -65.46 -40.31 0.94 0.00 99.05 0.05 0.04 0.78 98.18 0.94 0.00 0.00 0.00 24 T H H 76.24 2.80 14.11 17.61 92.95 49.38 -67.00 -38.87 3.68 0.01 96.31 0.13 0.15 3.44 93.83 2.44 0.01 0.00 0.00 25 F H H 123.04 3.22 13.82 17.94 94.57 46.96 -72.21 -34.50 14.33 0.02 85.65 0.36 0.58 13.96 82.47 2.57 0.04 0.01 0.02 26 L H H 103.49 2.45 13.97 16.87 94.72 47.22 -75.85 -32.98 23.94 0.17 75.89 2.12 3.42 18.99 72.80 2.38 0.11 0.06 0.12 27 L H H 97.92 2.21 14.50 16.91 94.67 55.76 -67.30 -41.32 34.29 0.55 65.16 10.74 9.80 15.02 59.77 4.07 0.08 0.23 0.30 28 P H H 73.25 3.12 14.24 18.20 93.89 49.26 -67.01 -37.67 27.63 0.34 72.03 13.65 3.44 11.23 66.95 4.40 0.02 0.17 0.15 29 A H H 53.19 4.45 13.39 19.36 92.97 53.81 -65.18 -38.35 12.08 0.17 87.75 4.68 1.80 6.02 81.55 5.76 0.02 0.10 0.07 30 G H H 37.97 2.52 14.47 17.66 92.26 53.41 -64.47 -40.32 8.01 0.13 91.86 2.65 1.19 4.42 86.89 4.71 0.02 0.08 0.04 31 W H H 143.79 2.19 14.62 17.05 92.96 50.94 -65.91 -40.79 4.68 0.11 95.21 1.37 0.69 2.77 90.27 4.77 0.03 0.07 0.03 32 I H H 84.15 4.31 12.81 18.59 92.53 49.84 -65.22 -41.35 3.72 0.08 96.19 0.77 0.46 2.48 91.64 4.55 0.02 0.06 0.02 33 L H H 100.62 2.47 13.18 16.48 91.82 50.30 -65.91 -36.96 5.37 0.04 94.58 0.67 0.49 4.02 88.09 6.66 0.02 0.03 0.02 34 S H H 74.34 1.59 13.27 14.91 92.17 54.90 -69.33 -27.92 26.64 0.07 73.30 1.00 1.38 24.41 66.66 6.42 0.06 0.03 0.05 35 H C T 105.10 3.58 11.44 16.53 98.28 43.89 -97.31 -0.33 55.90 0.09 44.01 4.28 2.40 48.54 38.76 5.90 0.01 0.04 0.08 36 L H H 82.44 5.36 9.17 16.63 93.41 92.02 -61.49 -39.49 13.54 0.12 86.33 4.21 1.87 6.40 58.07 29.32 0.01 0.06 0.05 37 E H H 138.44 1.10 12.05 13.04 92.37 55.19 -66.39 -32.97 9.14 0.08 90.78 1.40 0.84 5.52 57.32 34.85 0.01 0.05 0.02 38 T H H 96.45 1.48 10.95 12.86 93.87 53.72 -73.19 -25.00 11.26 0.09 88.65 1.55 1.08 6.98 55.92 34.39 0.01 0.05 0.03 39 Y H H 145.17 3.23 8.49 13.35 98.50 51.00 -90.19 -4.68 29.52 0.72 69.75 7.89 5.56 15.03 46.65 24.06 0.10 0.33 0.39 40 R C C 161.87 2.33 7.80 12.01 107.51 83.65 -84.35 98.79 72.15 3.91 23.94 40.43 13.66 19.00 16.20 6.28 0.03 1.46 2.94 41 R C C 166.35 1.86 8.07 11.75 116.74 118.51 -93.49 137.61 99.08 0.73 0.19 94.91 3.73 0.50 0.11 0.04 0.00 0.29 0.40 42 P C C 113.00 1.77 11.24 14.27 110.30 -102.98 -68.47 141.13 99.96 0.03 0.01 99.84 0.09 0.04 0.01 0.00 0.00 0.01 0.00