# 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 W C C 129.19 7.01 12.74 20.71 103.17 62.87 -76.56 -13.90 95.81 0.91 3.28 95.45 0.25 0.52 2.98 0.15 0.00 0.45 0.20 1 V H H 92.95 3.22 11.43 15.82 95.48 75.43 -68.84 -36.96 37.58 3.89 58.53 28.36 2.73 7.48 50.46 7.15 0.01 2.83 0.99 2 I H H 106.78 3.09 10.69 15.00 95.38 54.96 -71.32 -34.81 31.49 4.81 63.70 16.20 6.04 10.99 51.36 10.52 0.15 3.67 1.07 3 H H H 118.15 3.50 11.07 15.98 97.12 54.18 -74.19 -30.26 28.51 2.40 69.08 14.25 5.13 10.17 55.19 12.84 0.07 1.74 0.59 4 S H H 69.03 3.37 12.06 16.58 96.93 54.78 -75.32 -24.23 28.94 1.53 69.53 14.61 5.04 10.14 56.37 12.32 0.07 0.98 0.47 5 I H H 101.45 3.93 12.72 17.61 100.61 50.59 -84.07 -27.98 39.18 1.30 59.51 10.87 7.50 21.61 49.54 8.97 0.20 0.71 0.60 6 T H H 66.20 6.06 12.95 20.24 102.58 52.90 -79.27 -32.32 32.44 0.59 66.98 10.61 4.85 17.61 60.96 5.30 0.07 0.26 0.34 7 I H H 87.17 4.53 14.50 20.14 94.47 63.19 -65.28 -42.19 5.82 0.04 94.13 3.14 1.08 1.53 93.68 0.55 0.00 0.02 0.02 8 P H H 67.44 4.34 16.10 21.42 92.91 50.26 -64.69 -39.68 2.80 0.04 97.16 1.48 0.27 1.01 96.67 0.54 0.00 0.02 0.01 9 A H H 46.18 6.98 15.73 23.33 92.69 51.74 -65.61 -40.41 0.64 0.01 99.35 0.21 0.07 0.33 98.85 0.53 0.00 0.00 0.00 10 L H H 80.99 6.07 16.64 23.57 92.47 50.83 -65.66 -40.64 0.48 0.01 99.51 0.10 0.04 0.30 99.12 0.44 0.00 0.00 0.00 11 F H H 107.74 4.78 17.90 23.15 92.49 49.85 -65.49 -41.79 1.11 0.02 98.87 0.13 0.08 0.87 98.53 0.37 0.00 0.01 0.00 12 I H H 77.07 5.69 18.56 24.76 92.22 49.21 -65.06 -42.00 0.85 0.01 99.15 0.10 0.06 0.61 99.11 0.11 0.00 0.00 0.00 13 A H H 41.62 7.55 17.75 26.08 91.80 50.97 -63.96 -41.57 0.70 0.00 99.30 0.08 0.04 0.49 99.24 0.14 0.00 0.00 0.00 14 G H H 26.46 7.31 17.22 25.88 92.03 51.74 -64.18 -41.49 1.07 0.00 98.93 0.09 0.05 0.83 98.80 0.23 0.00 0.00 0.00 15 W H H 121.73 5.23 18.84 24.72 91.94 50.18 -64.65 -41.51 0.63 0.00 99.36 0.06 0.04 0.47 99.12 0.31 0.00 0.00 0.00 16 L H H 70.53 6.40 18.16 25.21 92.17 50.13 -64.79 -41.79 0.99 0.01 98.99 0.10 0.07 0.75 98.65 0.41 0.01 0.00 0.00 17 F H H 82.03 7.52 16.77 25.33 92.47 48.82 -66.00 -41.17 3.29 0.05 96.66 0.38 0.29 2.58 95.97 0.72 0.03 0.02 0.01 18 V H H 68.40 7.04 16.23 24.23 93.29 49.14 -67.00 -40.29 8.64 0.16 91.20 1.08 0.97 6.82 89.71 1.17 0.11 0.07 0.07 19 S H H 64.88 4.75 16.38 21.87 93.60 51.48 -70.63 -30.98 19.44 0.18 80.38 1.97 2.09 15.64 78.59 1.45 0.10 0.07 0.10 20 T C T 68.21 5.74 14.98 21.68 96.24 48.21 -87.27 -12.21 61.37 0.38 38.25 2.91 7.46 49.06 38.02 2.04 0.08 0.14 0.29 21 G C T 39.03 6.46 14.55 22.43 97.01 -118.42 77.23 3.52 67.76 0.51 31.73 8.30 10.30 47.05 31.21 2.58 0.04 0.19 0.33 22 L H H 80.16 4.84 15.47 21.56 95.24 109.62 -70.63 -35.29 26.85 0.44 72.71 9.39 4.69 13.85 66.26 5.31 0.06 0.21 0.23 23 A H H 33.85 8.91 13.18 23.77 93.93 55.01 -67.08 -38.50 14.48 0.46 85.05 4.58 2.41 8.49 77.13 6.79 0.13 0.30 0.17 24 Y H H 99.42 7.28 12.86 21.62 93.85 54.05 -67.17 -38.05 7.27 0.33 92.40 2.02 1.30 4.41 84.33 7.51 0.10 0.22 0.10 25 D H H 100.59 2.58 13.86 17.22 94.52 54.39 -69.83 -33.80 7.96 0.27 91.78 1.85 1.20 5.21 84.53 6.85 0.12 0.18 0.08 26 V H H 103.12 2.73 12.87 16.45 98.27 43.79 -80.37 -34.27 13.78 0.26 85.96 1.55 1.91 10.70 80.74 4.62 0.24 0.12 0.13 27 F H H 135.65 3.36 11.40 15.89 101.82 32.37 -99.17 -5.65 25.86 0.53 73.61 3.36 6.05 18.30 69.46 2.01 0.27 0.17 0.38 28 G C C 50.11 2.90 12.72 16.70 106.44 -111.48 86.16 14.34 98.51 0.62 0.88 46.08 26.76 25.79 0.33 0.45 0.00 0.30 0.28 29 T C C 83.26 4.64 11.45 17.85 120.59 41.55 -102.20 140.86 98.88 1.04 0.08 64.38 34.28 0.42 0.02 0.04 0.00 0.42 0.44 30 P C C 74.77 7.08 11.30 19.89 114.50 -106.17 -68.39 149.57 98.45 1.44 0.11 85.68 12.21 0.46 0.04 0.06 0.00 0.51 1.05 31 R C C 119.51 6.03 11.90 19.61 114.30 -119.04 -85.46 128.45 99.35 0.52 0.13 95.75 3.41 0.19 0.06 0.04 0.00 0.15 0.40 32 P H G 81.77 6.80 10.79 19.17 95.70 -121.03 -62.25 -27.71 45.88 0.70 53.41 19.58 6.10 20.14 12.52 40.94 0.00 0.37 0.34 33 D H G 114.96 2.18 12.41 15.45 96.24 62.55 -79.45 -8.21 40.44 0.48 59.09 7.13 5.80 26.27 16.32 43.96 0.01 0.26 0.25 34 S H G 71.44 3.74 12.45 17.46 99.66 71.73 -88.97 -1.37 36.28 0.93 62.79 10.06 7.30 19.08 17.69 44.91 0.02 0.52 0.42 35 Y C C 107.06 8.35 10.49 19.91 105.39 77.04 -92.29 -8.68 56.08 4.17 39.75 23.83 16.43 16.96 18.74 19.57 0.13 1.92 2.42 36 Y C C 94.99 8.83 9.11 19.30 120.98 61.63 -111.95 135.93 78.89 9.10 12.01 50.83 21.69 5.51 8.35 3.61 0.03 3.14 6.84 37 A C C 55.65 3.84 11.79 17.12 117.85 -137.78 -86.19 160.92 86.89 2.89 10.22 69.19 12.58 4.72 7.59 2.91 0.00 1.42 1.58 38 Q C T 139.32 1.84 10.45 13.50 93.91 -105.22 -61.67 -34.98 52.47 0.93 46.61 11.47 13.14 27.54 22.85 23.79 0.09 0.42 0.69 39 E C T 148.52 1.05 11.11 12.10 93.90 54.04 -71.25 -22.04 51.99 0.79 47.22 10.97 10.31 29.81 22.45 25.46 0.07 0.37 0.57 40 Q H G 91.58 6.53 8.36 16.28 98.32 55.91 -86.76 -6.74 47.96 2.00 50.03 20.70 9.67 17.98 21.77 27.80 0.05 0.98 1.05 41 R C C 148.17 4.24 9.95 15.93 97.07 90.05 -72.44 -18.54 66.67 2.03 31.30 29.09 12.49 25.68 17.68 12.97 0.03 1.03 1.04 42 S C C 90.65 1.30 12.61 13.83 100.14 62.64 -85.79 -1.86 78.05 3.19 18.76 33.16 15.30 30.78 8.02 9.59 0.01 2.14 0.99 43 I C C 90.79 5.96 8.86 16.72 116.17 92.10 -93.20 129.39 94.31 3.61 2.08 55.47 38.17 1.10 1.46 0.56 0.00 2.25 0.99 44 P C C 80.58 4.96 12.01 18.62 113.31 -112.71 -67.49 145.29 85.33 11.61 3.06 82.40 2.19 1.09 2.09 0.86 0.00 6.66 4.71 45 L C C 109.46 5.01 11.24 17.86 111.60 -138.85 -90.08 126.33 75.00 15.66 9.34 51.60 18.05 4.84 6.62 3.26 0.05 8.15 7.43 46 V C C 79.94 7.13 9.04 17.66 113.07 -141.73 -95.90 123.80 66.92 17.47 15.60 49.22 11.51 5.49 11.84 4.70 0.07 11.07 6.12 47 T C C 95.45 3.10 11.94 16.42 103.84 -174.68 -95.40 -22.54 73.23 6.46 20.31 42.94 20.31 10.03 16.17 4.73 0.04 4.08 1.71 48 D C C 84.70 2.82 13.84 17.12 117.10 26.91 -112.10 137.30 72.54 3.06 24.40 46.03 14.39 11.61 20.81 4.36 0.01 1.67 1.11 49 R H H 133.36 6.62 10.68 18.80 93.84 -135.18 -63.22 -35.81 21.56 0.40 78.04 7.45 4.50 10.66 71.52 5.44 0.05 0.21 0.17 50 F H H 138.33 1.57 14.48 15.76 92.55 53.14 -65.65 -38.87 17.37 0.31 82.32 4.77 2.93 10.24 76.33 5.35 0.06 0.17 0.13 51 E H H 98.44 2.66 15.72 18.64 93.09 49.98 -66.94 -37.34 14.12 0.33 85.55 7.29 2.40 5.39 80.11 4.50 0.02 0.19 0.11 52 A H H 25.18 10.14 11.41 23.48 92.22 55.63 -63.22 -41.96 3.65 0.05 96.30 1.82 0.56 1.44 95.20 0.94 0.00 0.02 0.02 53 K H H 107.54 4.38 16.68 21.88 92.08 50.85 -64.30 -41.01 1.49 0.02 98.49 0.59 0.18 0.69 98.03 0.49 0.00 0.01 0.00 54 Q H H 104.03 1.57 18.44 18.49 92.23 50.23 -65.18 -40.90 1.18 0.02 98.80 0.43 0.13 0.59 98.42 0.43 0.00 0.01 0.00 55 Q H H 79.57 4.64 16.38 22.10 92.00 50.49 -64.93 -41.28 0.99 0.02 98.99 0.36 0.11 0.49 98.77 0.26 0.00 0.01 0.00 56 V H H 50.20 8.41 13.98 23.82 91.83 49.95 -64.44 -41.71 0.63 0.01 99.36 0.24 0.06 0.27 99.29 0.14 0.00 0.00 0.00 57 E H H 103.51 2.48 16.64 19.17 91.64 50.69 -63.77 -41.28 0.53 0.00 99.47 0.16 0.04 0.26 99.43 0.11 0.00 0.00 0.00 58 T H H 76.35 1.62 16.24 17.02 91.72 49.96 -64.46 -41.41 0.70 0.00 99.30 0.15 0.05 0.40 99.22 0.17 0.00 0.00 0.00 59 F H H 92.74 4.18 13.47 19.03 92.24 49.24 -65.24 -41.04 1.03 0.00 98.97 0.20 0.08 0.63 98.80 0.30 0.00 0.00 0.00 60 L H H 75.62 4.61 11.60 17.85 92.15 50.17 -65.50 -39.45 2.23 0.01 97.76 0.40 0.19 1.43 97.36 0.62 0.00 0.00 0.00 61 E H H 129.08 1.29 12.10 13.41 92.37 52.75 -65.84 -37.42 9.10 0.02 90.88 0.79 0.55 7.42 89.28 1.94 0.01 0.01 0.01 62 Q H H 132.82 1.16 10.76 12.16 93.29 53.74 -69.89 -27.99 27.23 0.05 72.72 1.96 1.62 23.08 70.93 2.34 0.01 0.02 0.03 63 L C H 110.75 3.00 7.98 12.50 97.83 55.61 -83.06 -7.16 51.73 0.26 48.02 21.20 1.81 27.81 46.69 2.22 0.00 0.09 0.18 64 K C C 151.40 2.30 10.90 14.73 102.55 120.67 -63.67 59.11 99.93 0.03 0.04 99.76 0.10 0.09 0.02 0.00 0.00 0.01 0.01