# 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 106.06 5.28 10.61 17.39 113.30 -157.15 -96.68 121.82 99.64 0.24 0.13 99.52 0.14 0.09 0.08 0.01 0.00 0.12 0.04 1 H C C 127.95 2.84 8.65 12.93 105.19 -163.24 -84.40 32.15 68.47 4.22 27.30 62.64 1.19 5.37 23.87 2.94 0.00 2.16 1.83 2 R H H 169.90 1.37 8.25 10.60 98.13 86.59 -71.92 -31.86 38.92 2.59 58.49 21.92 7.34 11.99 47.10 9.10 0.09 1.58 0.88 3 I H H 121.25 1.43 8.48 10.79 95.10 58.96 -69.44 -34.77 19.63 1.63 78.73 8.04 3.63 8.25 58.18 20.25 0.09 1.20 0.38 4 W H H 159.08 2.70 8.35 12.63 95.20 55.22 -72.31 -30.61 12.06 0.93 87.00 4.42 1.87 5.34 61.47 25.97 0.03 0.74 0.17 5 L H H 108.92 2.85 9.04 13.38 96.13 56.01 -73.65 -29.02 15.93 0.86 83.21 4.19 2.36 8.43 61.08 23.05 0.08 0.59 0.22 6 M H H 133.26 1.47 10.53 12.47 98.07 50.39 -81.15 -22.45 29.83 0.92 69.25 6.09 4.94 18.57 55.32 13.88 0.25 0.53 0.42 7 Y C H 143.46 3.04 9.67 14.14 111.50 48.59 -98.37 109.54 51.09 2.04 46.87 14.67 20.97 18.15 39.43 4.30 0.41 0.70 1.37 8 D C C 72.75 4.13 10.29 16.33 109.21 -139.57 -102.39 109.16 96.02 0.30 3.68 88.64 5.98 1.13 3.69 0.29 0.00 0.11 0.15 9 P H H 82.67 4.08 10.72 16.84 93.75 -160.95 -62.52 -33.08 14.52 0.10 85.38 5.15 1.68 7.84 80.99 4.23 0.01 0.05 0.05 10 R H H 151.07 1.85 13.05 15.34 92.31 55.38 -65.57 -38.51 7.45 0.06 92.48 1.36 0.77 5.17 88.22 4.40 0.02 0.03 0.02 11 R H H 131.50 2.30 13.60 16.44 92.58 50.48 -66.58 -39.55 4.69 0.08 95.22 1.41 0.54 2.69 90.30 4.99 0.01 0.05 0.02 12 V H H 70.60 3.75 12.52 17.83 92.26 50.50 -65.04 -41.40 2.66 0.04 97.29 1.03 0.33 1.25 96.17 1.19 0.00 0.02 0.01 13 M H H 101.82 2.57 14.10 17.34 92.20 50.52 -65.17 -40.95 0.88 0.01 99.11 0.31 0.08 0.38 99.02 0.20 0.00 0.00 0.00 14 V H H 87.71 1.79 14.96 16.45 92.09 49.78 -64.87 -41.62 0.31 0.00 99.69 0.07 0.02 0.15 99.66 0.10 0.00 0.00 0.00 15 A H H 57.98 2.25 14.45 17.10 91.97 49.88 -64.20 -40.89 0.24 0.00 99.76 0.04 0.01 0.14 99.74 0.08 0.00 0.00 0.00 16 L H H 88.45 3.02 14.27 18.17 92.18 49.92 -65.05 -40.72 0.27 0.00 99.73 0.03 0.01 0.17 99.73 0.07 0.00 0.00 0.00 17 V H H 83.62 2.55 14.82 17.83 91.95 50.20 -64.76 -41.03 0.35 0.00 99.64 0.04 0.02 0.23 99.66 0.06 0.00 0.00 0.00 18 G H H 40.61 1.76 15.36 16.72 91.77 50.46 -64.57 -41.26 0.43 0.00 99.57 0.05 0.02 0.29 99.59 0.05 0.00 0.00 0.00 19 F H H 119.30 2.00 15.13 17.06 92.21 49.68 -65.29 -41.14 0.28 0.00 99.72 0.03 0.01 0.18 99.74 0.04 0.00 0.00 0.00 20 L H H 88.20 3.46 14.33 18.75 92.03 50.55 -64.58 -41.20 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 21 A H H 62.70 2.42 15.16 17.82 91.84 50.71 -64.44 -41.25 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 22 V H H 88.64 1.57 16.40 17.00 92.18 49.72 -64.89 -41.53 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 23 L H H 88.30 2.59 15.79 18.60 91.98 49.45 -65.04 -41.60 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 24 A H H 47.25 4.84 13.81 20.22 91.81 51.39 -63.26 -41.56 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 25 L H H 95.63 2.21 16.20 18.33 91.79 50.63 -64.68 -41.02 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 26 V H H 86.51 1.75 16.55 17.53 91.90 50.07 -64.65 -41.85 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 27 I H H 83.98 3.91 15.08 19.81 92.11 49.39 -64.79 -41.88 0.17 0.00 99.83 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 28 H H H 91.05 5.43 14.05 20.77 92.03 50.89 -63.84 -41.11 0.33 0.00 99.67 0.02 0.01 0.25 99.55 0.16 0.00 0.00 0.00 29 F H H 125.78 1.79 15.65 17.10 91.82 50.40 -64.61 -41.02 0.43 0.00 99.57 0.02 0.02 0.36 99.23 0.36 0.00 0.00 0.00 30 V H H 88.47 1.94 15.23 16.97 92.16 49.26 -65.30 -41.60 0.90 0.00 99.10 0.05 0.04 0.79 98.44 0.68 0.00 0.00 0.00 31 L H H 75.61 5.70 12.65 19.82 92.70 49.66 -66.20 -38.10 4.28 0.02 95.71 0.21 0.23 3.85 94.34 1.34 0.01 0.01 0.01 32 L H H 96.45 4.18 12.45 18.09 93.31 51.55 -72.29 -26.06 23.29 0.17 76.55 1.77 1.98 19.80 73.88 2.31 0.09 0.07 0.11 33 S C T 80.86 1.76 12.98 15.01 95.60 56.35 -84.05 -7.48 58.38 1.05 40.57 11.25 8.02 38.75 37.52 3.33 0.08 0.44 0.61 34 S C S 51.34 5.70 8.88 16.62 118.02 93.75 -86.13 152.31 75.47 2.92 21.61 29.57 31.97 14.62 15.78 4.98 0.05 1.01 2.03 35 Q C T 149.87 1.38 12.00 13.87 95.89 -132.91 -74.20 -12.64 64.76 1.01 34.23 14.39 18.14 33.27 13.72 19.22 0.04 0.47 0.74 36 R C T 163.49 2.08 11.93 15.00 97.29 69.48 -81.52 -17.32 63.63 1.09 35.28 14.44 14.69 35.31 13.63 20.60 0.04 0.53 0.76 37 Y C C 115.96 6.72 9.62 17.89 108.21 51.34 -103.55 77.98 61.49 3.09 35.43 25.89 15.39 21.75 13.73 19.95 0.07 1.49 1.72 38 S C C 53.82 5.72 11.35 18.89 107.70 142.97 -98.55 78.26 71.17 3.00 25.83 49.73 10.07 10.98 15.68 10.30 0.01 1.49 1.74 39 W C T 150.62 5.22 11.49 18.35 95.30 101.43 -70.34 -22.25 56.18 2.09 41.74 17.24 12.67 27.01 23.01 17.67 0.13 0.99 1.28 40 I C T 112.36 3.29 11.91 16.47 98.85 56.35 -88.47 -10.27 53.69 3.67 42.64 17.66 12.08 24.92 24.49 16.78 0.29 1.83 1.94 41 E C H 118.00 4.01 11.40 17.00 102.31 81.82 -78.62 7.49 53.95 3.20 42.86 25.96 12.38 16.69 26.65 15.02 0.08 1.51 1.71 42 N C H 109.05 3.53 11.90 16.70 102.43 48.22 -75.99 31.23 57.52 1.38 41.11 22.87 14.33 22.10 28.97 10.18 0.07 0.59 0.89 43 G C H 45.05 4.56 11.75 17.84 104.07 -73.49 -28.74 -34.31 54.74 1.30 43.96 24.77 12.95 18.59 32.00 10.30 0.05 0.57 0.77 44 T H H 89.67 3.42 12.53 17.22 107.49 49.96 -85.67 90.75 46.30 2.33 51.37 26.98 9.95 11.06 39.88 9.84 0.05 1.17 1.07 45 L H H 94.97 5.57 11.03 18.13 99.84 58.84 -73.31 -24.53 40.50 2.50 57.00 23.91 8.34 10.41 45.06 9.83 0.07 1.32 1.07 46 G H H 42.91 4.66 12.39 18.37 99.19 54.01 -60.43 -31.21 44.22 1.78 54.00 26.38 7.78 11.50 42.11 10.44 0.04 0.94 0.81 47 A H H 74.14 3.81 11.27 16.55 97.87 62.33 -75.20 -22.87 46.37 2.12 51.52 23.80 9.36 14.49 37.25 12.95 0.08 1.09 0.99 48 D C C 112.15 2.25 11.23 14.63 101.17 65.64 -84.20 -0.04 58.23 2.31 39.45 27.99 12.30 19.20 27.45 10.69 0.08 1.14 1.14 49 Q C C 129.78 2.72 10.23 14.54 106.52 85.56 -90.29 68.31 73.15 3.41 23.44 38.86 18.40 16.55 15.50 7.31 0.04 1.55 1.79 50 A C C 73.31 3.63 9.67 15.26 117.84 116.21 -88.23 144.43 93.33 2.79 3.88 54.46 36.70 2.46 2.85 1.00 0.00 1.20 1.33 51 P C C 101.07 3.23 9.38 14.57 112.85 -103.27 -68.27 144.30 89.88 4.91 5.20 78.38 7.58 3.75 3.29 1.82 0.00 2.81 2.36 52 V C C 121.70 1.96 8.59 12.26 112.76 -135.94 -90.35 129.83 85.07 7.45 7.47 65.84 11.83 6.96 4.08 3.40 0.00 4.23 3.65 53 G C C 58.46 1.67 9.15 12.11 116.73 -89.25 -107.43 163.30 84.28 6.42 9.30 57.44 15.33 11.55 3.84 5.42 0.01 3.97 2.43 54 A C C 90.69 1.81 8.74 12.05 113.56 -101.37 -84.23 138.46 83.00 6.50 10.50 49.45 20.46 13.67 3.48 6.74 0.01 3.89 2.30 55 S C C 92.51 1.42 8.94 11.76 115.84 -114.59 -91.36 137.36 83.96 7.06 8.99 54.50 18.91 10.76 3.30 5.50 0.01 3.98 3.04 56 A C C 80.05 3.09 7.66 12.95 117.58 -114.09 -83.81 145.20 92.10 4.17 3.72 67.09 23.32 1.99 2.51 1.20 0.00 2.05 1.85 57 P C C 109.37 1.74 9.20 12.41 114.52 -103.03 -68.93 148.93 86.08 3.29 10.63 74.24 7.08 4.73 7.48 3.13 0.00 1.84 1.51 58 A C C 89.80 1.58 8.43 11.66 114.36 -103.44 -74.84 145.47 78.40 2.89 18.71 65.05 7.60 5.69 13.40 5.31 0.00 1.48 1.46 59 A C C 87.48 1.75 8.16 11.60 114.00 -103.06 -74.70 147.02 65.98 3.32 30.70 49.86 8.54 7.62 20.30 10.34 0.01 1.83 1.51 60 A C C 88.91 1.77 7.63 11.11 112.92 -105.53 -76.12 144.30 55.55 3.56 40.89 37.22 8.44 9.99 22.74 18.13 0.02 2.16 1.31 61 A C C 89.25 1.70 7.26 10.68 113.11 -112.05 -82.01 140.22 54.37 4.48 41.15 32.62 9.99 12.35 19.73 21.06 0.04 2.71 1.51 62 E C C 158.29 1.05 8.59 10.67 112.69 -125.98 -87.64 130.92 59.50 7.19 33.31 36.44 11.12 12.73 15.01 17.82 0.05 4.64 2.18 63 M C C 139.29 2.62 6.65 11.32 115.70 -139.32 -93.62 134.06 72.75 9.47 17.79 49.01 14.23 9.36 8.82 9.00 0.03 5.47 4.08 64 S C C 85.06 1.63 8.39 11.58 118.92 -137.51 -94.90 145.37 89.55 8.48 1.98 65.15 22.40 2.36 0.93 1.00 0.00 5.35 2.81 65 P C C 117.92 1.18 9.40 11.67 114.08 -102.34 -68.21 145.65 90.83 8.09 1.07 76.26 12.20 2.31 0.41 0.66 0.00 5.10 3.07 66 L C C 121.32 3.37 6.40 11.99 115.57 -108.69 -78.87 140.25 96.74 3.11 0.15 82.28 14.28 0.36 0.07 0.08 0.00 1.43 1.50 67 P C C 102.43 1.85 8.07 11.57 114.65 -104.02 -66.88 147.89 99.17 0.63 0.20 93.11 5.25 0.89 0.06 0.11 0.00 0.32 0.27 68 P C C 123.85 0.88 7.78 9.61 110.90 -101.74 -68.37 142.51 97.34 1.13 1.52 61.53 13.17 22.50 0.27 1.35 0.00 0.59 0.58 69 G C C 63.53 1.10 7.78 9.89 110.03 -74.53 -69.07 129.06 97.44 1.24 1.32 76.58 3.55 17.46 0.26 0.88 0.00 0.70 0.58 70 R C C 181.87 1.59 9.23 12.18 109.43 -111.55 -87.31 112.22 99.77 0.19 0.04 99.50 0.23 0.11 0.01 0.01 0.00 0.09 0.04