# 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 136.63 2.63 9.58 13.93 117.23 -161.52 -100.19 134.35 99.74 0.23 0.03 99.63 0.13 0.05 0.01 0.00 0.00 0.13 0.03 1 A C C 85.49 2.32 7.39 11.64 115.29 -134.68 -87.47 139.22 88.61 4.87 6.52 84.52 1.27 4.22 2.92 2.19 0.00 3.50 1.38 2 T C C 112.31 1.62 7.42 10.72 115.11 -155.28 -100.87 131.23 79.45 11.29 9.26 56.92 13.92 8.94 3.82 5.16 0.01 8.86 2.37 3 Q C C 132.05 2.34 8.27 12.60 119.40 -157.10 -108.69 137.94 74.22 16.12 9.66 55.16 13.18 6.06 4.39 4.99 0.02 13.77 2.42 4 T C C 101.45 2.58 9.11 13.71 118.42 -145.81 -100.48 135.77 74.39 18.68 6.93 64.04 6.21 3.36 3.83 2.97 0.01 16.43 3.16 5 I C C 105.71 5.48 7.91 15.27 116.33 -148.68 -101.78 129.33 76.26 17.44 6.30 61.83 9.26 4.08 4.30 2.39 0.01 13.83 4.29 6 D C C 105.20 2.68 11.09 15.28 113.79 -155.93 -96.98 126.88 83.14 9.89 6.96 62.75 13.14 6.95 4.19 2.87 0.01 7.83 2.27 7 D C C 96.68 4.38 9.33 15.49 107.69 -157.83 -92.32 99.69 83.55 4.21 12.25 48.50 19.03 16.68 5.03 6.73 0.01 2.64 1.38 8 T C C 94.38 3.26 10.06 14.82 100.03 151.94 -87.19 -1.44 82.28 3.00 14.72 44.34 18.52 20.13 5.27 8.80 0.01 1.61 1.32 9 S C C 68.07 4.52 9.34 15.54 100.69 81.04 -79.43 -5.66 82.27 3.02 14.71 46.30 17.35 19.09 4.44 9.83 0.01 1.60 1.39 10 K C C 141.22 3.29 9.71 14.66 100.29 98.50 -84.31 -2.63 85.95 2.97 11.09 40.61 25.60 20.63 3.49 6.81 0.01 1.44 1.43 11 T C C 102.65 2.18 10.54 13.87 103.19 74.35 -91.61 -4.10 90.72 3.10 6.17 42.75 35.97 12.64 1.95 3.69 0.00 1.46 1.54 12 T C C 92.96 2.64 11.03 15.20 120.46 60.85 -106.37 139.56 96.19 3.25 0.56 49.27 46.25 1.24 0.23 0.28 0.00 1.58 1.15 13 P C C 85.37 6.17 9.93 17.94 114.54 -103.89 -66.69 147.43 92.55 4.32 3.13 77.91 9.78 4.88 1.29 1.71 0.00 2.80 1.63 14 R C C 147.96 4.41 11.57 17.98 114.66 -118.82 -85.95 138.30 78.69 15.49 5.82 60.19 11.94 5.49 3.34 2.76 0.01 9.47 6.81 15 A C C 77.27 4.50 11.86 18.37 112.43 -114.39 -77.96 133.21 74.15 19.00 6.85 57.55 11.06 4.21 4.68 2.77 0.02 12.93 6.79 16 T C C 64.05 7.40 10.51 19.48 123.29 -171.98 -113.63 157.10 80.60 9.06 10.34 64.05 12.27 3.63 9.50 2.00 0.01 5.54 3.00 17 G H H 51.23 2.28 15.41 17.80 97.49 -106.00 -60.70 -44.73 41.55 2.69 55.76 20.03 14.03 10.48 49.57 3.50 0.11 1.40 0.88 18 V H H 72.59 6.88 13.84 21.78 94.06 47.89 -68.48 -37.91 18.14 0.70 81.17 5.86 3.72 10.02 73.69 5.85 0.17 0.40 0.28 19 G H H 20.35 10.94 12.16 24.36 93.01 55.22 -63.45 -40.66 11.25 0.50 88.25 3.49 2.00 6.45 78.91 8.52 0.13 0.33 0.16 20 T H H 87.00 3.07 16.65 20.23 92.92 51.45 -67.97 -34.93 9.55 0.49 89.97 2.38 1.49 5.79 79.10 10.63 0.13 0.32 0.14 21 S H H 64.20 4.16 16.00 20.81 93.37 52.61 -70.52 -33.09 17.09 0.59 82.32 2.70 2.21 12.51 72.85 8.88 0.26 0.36 0.24 22 L H H 60.89 11.10 12.98 24.79 97.12 51.05 -82.63 -24.29 26.64 0.92 72.45 4.87 4.94 18.25 65.28 5.40 0.33 0.46 0.47 23 K H H 106.02 7.16 14.92 23.42 94.71 72.69 -61.70 -43.01 20.92 0.98 78.10 7.96 3.37 9.25 45.66 32.79 0.05 0.63 0.29 24 P H H 78.76 3.10 16.64 19.80 94.22 49.48 -66.62 -34.41 19.27 1.19 79.54 6.62 2.62 9.03 47.24 33.31 0.05 0.85 0.26 25 L H H 71.31 7.05 13.90 22.29 94.31 52.69 -70.02 -35.63 17.51 1.37 81.12 6.27 3.13 7.95 48.42 32.91 0.10 0.90 0.33 26 N H H 61.40 9.73 11.71 22.58 95.60 54.80 -69.84 -31.20 33.64 2.87 63.49 18.87 6.78 9.87 46.02 15.66 0.09 1.64 1.07 27 S H H 72.97 3.04 13.56 17.61 95.06 62.98 -71.31 -27.94 37.54 2.07 60.39 12.69 6.89 17.78 37.67 22.79 0.18 1.18 0.83 28 E H H 135.02 2.27 12.75 15.65 96.29 56.98 -77.69 -22.54 41.48 3.04 55.48 10.87 7.35 22.31 34.61 21.44 0.37 1.82 1.24 29 Y C T 142.55 4.44 10.37 16.31 103.07 46.46 -93.68 10.05 56.82 2.89 40.29 10.97 11.46 33.47 23.76 16.78 0.35 1.56 1.67 30 G C T 52.55 2.92 12.45 16.79 104.65 -97.24 79.65 8.78 83.66 4.08 12.26 24.60 17.97 42.12 5.47 5.98 0.02 2.52 1.32 31 K C C 136.61 3.47 13.11 18.13 114.50 117.99 -96.86 132.29 72.59 18.86 8.55 45.00 15.63 11.90 3.82 4.86 0.04 13.52 5.21 32 V C C 80.48 8.30 9.96 19.51 115.19 -143.69 -96.94 130.94 68.34 27.41 4.25 48.09 15.36 3.67 2.63 2.03 0.04 16.24 11.95 33 A C C 60.83 5.23 11.85 18.75 118.03 -118.64 -87.94 143.55 85.48 12.55 1.97 65.87 15.48 3.83 0.76 1.28 0.00 10.05 2.74 34 P C T 105.45 2.74 12.85 16.88 110.00 -97.67 -68.47 140.94 88.84 5.53 5.63 32.74 22.80 34.22 1.16 4.16 0.00 3.59 1.31 35 G C C 53.46 3.07 12.47 16.88 108.39 25.29 90.65 -5.48 87.09 6.05 6.86 33.90 21.77 32.38 1.33 5.22 0.01 3.55 1.84 36 W C C 157.64 5.20 10.90 17.49 106.25 52.46 -91.24 50.57 79.37 9.86 10.77 36.35 20.54 23.73 2.62 7.60 0.04 5.15 3.97 37 G C C 41.20 5.56 13.12 19.96 113.69 -50.76 86.01 -34.63 81.19 9.85 8.96 36.03 23.44 23.19 2.43 6.03 0.03 5.48 3.37 38 T C C 79.20 5.94 12.38 19.70 105.84 -10.06 -90.78 26.65 79.99 7.56 12.45 47.94 20.43 11.70 6.10 6.18 0.02 3.62 4.00 39 T H H 68.53 5.20 12.35 19.13 104.07 107.75 -73.62 -39.79 49.17 1.46 49.37 22.86 21.90 5.52 46.82 1.76 0.03 0.47 0.65 40 P H H 94.54 2.17 14.23 16.72 94.06 -2.64 -64.00 -36.85 18.55 0.47 80.98 5.29 3.56 11.04 76.79 2.79 0.09 0.25 0.19 41 L H H 97.62 2.72 14.52 17.79 93.17 50.68 -67.22 -39.67 10.72 0.62 88.66 3.68 1.65 6.25 85.00 2.75 0.07 0.41 0.19 42 M H H 73.72 6.71 13.18 21.54 92.51 50.91 -65.63 -40.37 4.37 0.22 95.42 2.16 0.66 1.81 93.82 1.36 0.01 0.14 0.05 43 G H H 32.80 4.32 14.64 20.42 92.11 52.43 -63.54 -41.35 3.52 0.16 96.33 1.66 0.45 1.48 95.68 0.58 0.00 0.10 0.04 44 F H H 123.32 1.92 16.84 18.16 92.45 49.45 -65.49 -40.90 1.37 0.08 98.55 0.60 0.15 0.60 98.32 0.26 0.00 0.06 0.01 45 T H H 64.49 3.96 16.05 20.95 92.41 50.75 -64.72 -41.53 0.67 0.03 99.29 0.32 0.07 0.28 99.19 0.11 0.00 0.02 0.00 46 M H H 86.71 5.29 15.42 21.91 92.29 50.42 -65.15 -40.69 0.40 0.01 99.59 0.13 0.03 0.19 99.58 0.06 0.00 0.01 0.00 47 A H H 58.20 2.84 16.28 19.54 91.90 50.99 -64.09 -41.21 0.17 0.00 99.83 0.04 0.01 0.09 99.83 0.03 0.00 0.00 0.00 48 L H H 93.88 2.29 16.95 18.96 91.89 50.08 -64.66 -41.40 0.16 0.00 99.84 0.03 0.01 0.10 99.84 0.03 0.00 0.00 0.00 49 F H H 102.63 4.25 15.96 21.16 92.09 49.87 -65.34 -41.02 0.17 0.00 99.83 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 50 A H H 52.30 4.11 15.27 20.53 91.82 51.05 -63.96 -41.01 0.18 0.00 99.82 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 51 V H H 85.94 2.08 16.87 18.51 91.81 50.03 -64.50 -41.99 0.20 0.00 99.80 0.02 0.01 0.14 99.79 0.05 0.00 0.00 0.00 52 F H H 109.94 2.96 16.34 19.74 91.87 49.72 -64.81 -41.40 0.28 0.00 99.72 0.03 0.01 0.19 99.70 0.07 0.00 0.00 0.00 53 L H H 80.66 4.55 15.52 21.12 91.92 50.49 -64.85 -40.54 0.30 0.00 99.70 0.03 0.01 0.20 99.69 0.07 0.00 0.00 0.00 54 S H H 56.11 3.33 15.95 19.91 91.93 51.42 -64.65 -40.75 0.57 0.00 99.43 0.07 0.03 0.40 99.38 0.12 0.00 0.00 0.00 55 I H H 90.37 2.58 16.55 19.18 92.18 49.72 -64.81 -41.79 0.55 0.00 99.45 0.05 0.03 0.39 99.39 0.13 0.00 0.00 0.00 56 I H H 81.47 3.97 15.64 20.67 91.99 49.53 -64.42 -41.94 0.48 0.00 99.51 0.07 0.03 0.30 99.40 0.19 0.00 0.00 0.00 57 L H H 79.30 4.26 14.95 20.31 91.86 50.60 -64.09 -41.44 0.64 0.01 99.35 0.09 0.04 0.43 98.98 0.46 0.00 0.01 0.00 58 E H H 106.61 2.72 15.45 18.70 92.08 50.70 -64.99 -40.26 1.63 0.02 98.35 0.17 0.10 1.27 97.65 0.81 0.00 0.01 0.00 59 I H H 96.14 2.67 15.15 18.25 92.50 48.47 -66.57 -40.71 4.01 0.05 95.94 0.42 0.30 3.15 95.11 0.98 0.01 0.03 0.01 60 Y H H 128.33 3.43 14.18 18.49 93.67 46.99 -71.33 -35.19 13.12 0.23 86.65 2.32 1.69 9.28 85.14 1.31 0.05 0.10 0.10 61 N H H 88.28 4.27 13.15 18.74 96.79 50.12 -80.36 -14.05 39.89 1.21 58.90 12.34 6.33 22.62 54.80 2.69 0.09 0.56 0.56 62 S C H 64.08 3.71 12.79 17.74 97.83 70.63 -76.97 -22.02 52.04 1.87 46.09 18.58 11.38 23.32 39.99 4.91 0.11 0.92 0.78 63 S C H 62.72 3.89 12.17 17.43 99.67 70.57 -78.22 -19.47 49.67 4.25 46.08 24.78 10.90 15.80 36.40 8.05 0.17 2.55 1.35 64 V H H 91.77 3.52 10.80 15.80 97.94 73.46 -73.20 -31.44 38.25 9.88 51.88 18.13 8.95 12.93 37.38 12.71 0.56 7.25 2.10 65 L H H 113.72 2.51 10.82 14.54 99.22 59.20 -78.19 -27.00 35.38 16.45 48.17 17.47 7.64 12.11 33.25 13.39 0.59 12.83 2.73 66 L H H 115.64 2.80 9.31 13.62 102.27 60.35 -81.36 -3.83 39.45 16.46 44.09 16.05 9.42 15.92 28.36 13.76 1.15 11.57 3.77 67 D C T 111.38 2.01 10.19 13.35 100.95 57.23 -84.92 17.46 69.32 4.33 26.35 12.98 11.30 43.72 17.46 9.84 0.19 2.83 1.68 68 G C T 61.01 1.42 11.07 13.24 99.53 -87.97 81.49 8.41 91.23 3.48 5.29 22.23 17.55 52.26 1.84 2.90 0.00 2.48 0.75 69 I C C 95.38 4.70 7.96 14.85 115.41 135.62 -94.38 129.03 87.21 12.07 0.72 70.38 15.52 1.17 0.34 0.42 0.00 8.28 3.88 70 P C C 106.68 1.84 11.78 14.83 113.09 -121.66 -72.65 140.47 87.09 11.93 0.98 82.24 3.37 1.33 0.35 0.54 0.00 9.47 2.69 71 V C C 96.71 6.43 7.47 15.50 115.08 -160.39 -103.79 128.94 83.84 13.22 2.94 66.10 10.94 6.28 0.87 2.18 0.00 10.53 3.10 72 S C C 88.62 1.64 10.09 13.06 115.18 -160.38 -104.87 126.53 82.73 14.15 3.12 63.93 9.74 8.55 0.92 2.25 0.00 11.35 3.26 73 W C C 179.98 4.00 7.60 13.54 107.39 -167.25 -99.80 54.64 90.15 8.12 1.73 83.85 1.98 4.47 0.50 0.97 0.00 6.34 1.89 74 G C C 56.17 2.11 12.32 15.49 109.37 -137.69 68.40 28.83 99.81 0.18 0.02 99.56 0.20 0.10 0.01 0.00 0.00 0.12 0.02