# 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 131.67 3.01 9.80 14.46 114.23 -159.19 -93.12 130.92 99.91 0.08 0.01 99.84 0.09 0.03 0.00 0.00 0.00 0.03 0.01 1 I C C 134.56 1.97 7.77 11.48 111.12 -148.52 -90.59 126.46 92.11 2.25 5.65 79.26 2.27 10.85 1.31 3.91 0.00 1.39 1.01 2 N C C 122.33 1.87 7.63 11.16 112.84 -139.18 -90.55 125.90 92.56 2.30 5.14 53.22 19.82 19.12 0.74 4.86 0.00 1.22 1.03 3 A C C 88.06 2.05 8.05 11.70 109.05 -146.61 -86.06 104.35 92.40 2.21 5.39 57.58 26.84 7.71 1.07 4.43 0.00 1.00 1.37 4 N C C 114.65 2.42 8.58 12.75 117.00 -143.45 -98.25 134.44 96.61 1.37 2.02 66.92 27.18 2.52 0.88 1.03 0.00 0.56 0.90 5 P C C 90.98 4.00 8.60 14.48 111.63 -117.38 -71.14 145.83 90.90 1.04 8.06 71.06 10.62 9.36 3.28 4.50 0.00 0.50 0.69 6 G C C 46.55 3.50 10.12 15.13 112.65 -134.50 -88.82 146.20 81.47 2.06 16.47 62.21 10.09 8.59 5.47 11.23 0.00 0.90 1.50 7 F C T 149.72 2.96 9.90 14.23 97.27 -125.97 -72.13 -24.45 62.67 1.34 35.99 19.77 13.92 29.88 6.75 28.28 0.01 0.64 0.74 8 W C T 174.55 3.10 9.92 14.26 99.53 58.10 -86.90 -4.18 61.97 1.32 36.71 15.48 12.58 34.85 8.19 27.45 0.02 0.68 0.75 9 N C C 104.28 3.28 10.97 15.70 103.56 68.55 -89.75 0.62 66.95 1.77 31.28 29.47 18.37 19.92 8.75 21.55 0.02 0.76 1.17 10 G C S 30.69 4.45 11.28 17.41 123.79 89.20 -96.07 169.62 86.50 0.81 12.69 41.44 41.54 2.55 12.87 0.80 0.00 0.18 0.62 11 P H H 92.53 2.75 12.36 15.93 94.33 -84.04 -63.37 -36.35 8.65 0.04 91.31 2.52 1.59 4.43 90.65 0.76 0.01 0.01 0.02 12 F H H 127.31 2.59 12.68 16.05 92.96 51.79 -66.11 -39.33 2.78 0.01 97.21 0.58 0.31 1.69 96.85 0.56 0.00 0.01 0.01 13 R H H 114.73 3.75 13.51 18.46 92.19 51.67 -64.88 -40.14 1.03 0.01 98.95 0.35 0.11 0.52 98.50 0.51 0.00 0.00 0.00 14 Y H H 116.92 3.27 14.03 18.36 92.19 50.84 -64.55 -41.11 0.38 0.00 99.62 0.12 0.03 0.19 99.51 0.15 0.00 0.00 0.00 15 L H H 84.16 3.91 14.56 19.56 92.12 50.25 -64.34 -41.54 0.17 0.00 99.83 0.03 0.01 0.09 99.80 0.06 0.00 0.00 0.00 16 R H H 123.68 3.60 15.41 19.81 91.98 50.33 -64.33 -41.59 0.27 0.00 99.73 0.03 0.01 0.18 99.70 0.07 0.00 0.00 0.00 17 W H H 127.14 2.91 16.10 19.36 92.22 49.35 -64.83 -41.45 0.35 0.00 99.64 0.03 0.02 0.24 99.63 0.07 0.00 0.00 0.00 18 S H H 43.87 4.12 14.54 20.21 91.82 50.46 -64.49 -40.08 0.53 0.00 99.47 0.06 0.03 0.36 99.42 0.12 0.00 0.00 0.00 19 A H H 42.81 6.52 11.63 20.19 92.17 52.65 -65.53 -37.72 1.69 0.00 98.31 0.11 0.10 1.40 97.95 0.45 0.00 0.00 0.00 20 H H H 127.31 2.53 14.12 17.31 93.86 48.73 -70.39 -36.22 4.15 0.00 95.85 0.10 0.20 3.89 95.40 0.40 0.01 0.00 0.00 21 N H H 116.99 1.30 14.48 15.06 97.73 38.88 -83.18 -29.24 8.22 0.01 91.77 0.21 0.74 7.25 91.53 0.26 0.01 0.00 0.00 22 R C C 115.06 4.06 12.19 17.85 111.30 23.54 -133.45 70.90 98.52 0.21 1.27 77.95 19.33 0.84 1.53 0.09 0.00 0.04 0.23 23 P H H 67.85 7.04 10.34 19.61 93.07 165.76 -62.13 -36.26 6.82 0.03 93.15 2.85 0.50 2.99 92.40 1.24 0.00 0.01 0.01 24 H H H 128.44 2.02 14.85 17.28 91.40 56.16 -64.20 -39.13 1.88 0.00 98.11 0.18 0.14 1.41 97.02 1.25 0.00 0.00 0.00 25 L H H 90.05 2.79 15.46 18.61 92.27 49.55 -65.94 -40.65 0.60 0.00 99.40 0.06 0.04 0.44 98.16 1.30 0.00 0.00 0.00 26 F H H 87.04 5.81 13.79 21.20 92.09 49.12 -64.26 -41.85 0.28 0.00 99.72 0.03 0.02 0.20 99.21 0.55 0.00 0.00 0.00 27 F H H 104.37 4.11 15.20 20.44 91.89 49.32 -64.62 -41.37 0.29 0.00 99.71 0.02 0.01 0.23 99.21 0.53 0.00 0.00 0.00 28 A H H 57.64 2.80 15.60 18.96 91.77 51.17 -64.30 -41.16 0.85 0.00 99.15 0.02 0.02 0.79 98.48 0.68 0.00 0.00 0.00 29 F H H 114.44 2.79 16.15 19.14 92.39 48.55 -65.70 -41.04 2.01 0.00 97.99 0.04 0.05 1.96 97.56 0.39 0.00 0.00 0.00 30 A H H 50.14 4.67 14.59 20.64 92.20 49.34 -64.92 -41.65 1.31 0.00 98.69 0.11 0.10 0.96 98.34 0.48 0.00 0.00 0.00 31 I H H 93.80 3.25 14.87 19.03 92.05 49.36 -65.40 -40.06 0.87 0.00 99.13 0.06 0.04 0.66 97.27 1.96 0.00 0.00 0.00 32 G H H 42.50 2.67 14.67 17.92 92.52 51.35 -65.60 -38.48 3.23 0.00 96.77 0.09 0.10 2.98 92.89 3.94 0.00 0.00 0.00 33 I H H 112.35 2.14 15.24 17.28 94.24 47.23 -75.37 -32.23 10.37 0.01 89.62 0.24 0.35 9.90 85.35 4.14 0.01 0.00 0.00 34 A H H 56.85 4.46 13.30 19.11 96.26 49.53 -82.56 -23.50 18.27 0.07 81.66 1.42 2.15 14.65 79.17 2.49 0.04 0.02 0.05 35 G H H 33.34 4.89 13.00 19.53 95.87 81.04 -58.34 -48.08 21.32 0.16 78.51 11.40 3.94 6.66 70.81 7.02 0.01 0.07 0.09 36 P H H 86.17 2.27 14.58 16.99 92.90 41.55 -65.77 -37.22 11.09 0.08 88.83 2.96 1.32 6.46 79.71 9.45 0.02 0.05 0.03 37 V H H 88.18 2.40 14.60 17.31 92.77 50.91 -66.31 -39.19 4.98 0.08 94.94 1.16 0.56 2.95 85.59 9.66 0.01 0.05 0.02 38 A H H 54.29 4.31 12.69 18.64 92.82 52.04 -65.28 -38.56 3.86 0.06 96.08 1.09 0.47 2.14 88.58 7.66 0.00 0.04 0.01 39 A H H 64.84 3.20 13.29 17.61 92.48 52.68 -65.99 -37.77 4.68 0.04 95.28 0.58 0.36 3.49 87.38 8.13 0.01 0.02 0.01 40 L H H 112.09 1.71 14.55 16.09 93.97 46.57 -71.36 -35.26 12.66 0.03 87.31 0.40 0.55 11.88 81.28 5.82 0.03 0.02 0.02 41 T H H 76.87 2.68 14.37 17.58 96.23 43.91 -77.16 -33.36 21.79 0.04 78.17 0.65 1.16 20.38 73.83 3.88 0.04 0.02 0.03 42 L H H 79.37 3.92 13.39 18.71 93.57 55.43 -65.54 -41.32 9.84 0.06 90.10 3.41 2.82 3.50 89.19 1.03 0.00 0.02 0.03 43 T H H 60.51 3.89 13.60 18.96 92.40 51.98 -64.46 -41.69 3.79 0.01 96.20 1.73 0.45 1.45 95.38 0.98 0.00 0.01 0.01 44 P H H 68.73 2.53 14.54 17.67 91.85 50.67 -64.03 -40.04 2.40 0.02 97.58 0.87 0.22 1.22 96.49 1.20 0.00 0.01 0.01 45 L H H 89.04 2.17 14.40 16.75 92.13 49.82 -64.94 -41.19 1.02 0.01 98.96 0.26 0.09 0.61 97.91 1.11 0.00 0.01 0.00 46 R H H 108.48 3.95 12.08 17.51 92.27 50.60 -65.30 -39.86 1.11 0.01 98.88 0.22 0.09 0.74 97.68 1.27 0.00 0.00 0.00 47 R H H 138.14 2.99 11.90 16.10 92.35 51.68 -65.43 -38.20 1.94 0.00 98.05 0.16 0.11 1.60 96.16 1.96 0.00 0.00 0.00 48 K H H 147.81 1.24 11.98 13.29 92.62 52.90 -68.05 -32.60 6.83 0.01 93.17 0.20 0.25 6.56 91.02 1.96 0.01 0.00 0.00 49 Y C T 164.84 1.38 10.89 12.52 98.01 41.42 -94.05 -6.17 64.74 0.04 35.22 0.51 1.49 62.80 32.91 2.23 0.01 0.01 0.04 50 L C T 122.26 2.05 10.04 13.07 103.44 20.18 -102.95 19.55 86.76 0.08 13.16 3.27 3.37 79.28 12.83 1.16 0.00 0.03 0.06 51 Y C C 133.11 4.19 7.28 13.50 113.23 135.61 -93.20 122.10 97.14 0.89 1.97 79.25 14.92 2.69 0.94 0.94 0.00 0.30 0.96 52 P C C 101.75 2.40 9.94 13.72 111.27 -142.90 -84.06 140.11 96.18 0.55 3.28 64.82 18.34 12.63 0.55 3.06 0.00 0.26 0.35 53 D C C 122.02 1.46 10.58 12.93 107.70 -86.72 -82.56 109.31 96.17 0.66 3.18 72.44 14.41 8.81 0.55 3.02 0.00 0.29 0.48 54 H C C 119.72 5.46 7.21 14.36 113.41 94.17 -92.38 127.86 98.32 0.74 0.94 85.61 11.28 1.31 0.29 0.60 0.00 0.28 0.64 55 S C C 78.65 2.03 10.63 13.83 117.33 -113.77 -77.08 149.95 99.58 0.31 0.10 92.15 7.19 0.28 0.03 0.05 0.00 0.12 0.18 56 P C C 114.69 1.54 11.32 13.84 113.45 -96.64 -67.80 145.47 98.59 1.17 0.25 93.95 4.14 0.37 0.09 0.11 0.00 0.34 1.00 57 L C C 105.22 6.08 7.07 14.81 115.40 -105.00 -74.64 142.27 99.12 0.42 0.46 91.31 6.89 0.92 0.11 0.31 0.00 0.17 0.30 58 P C C 86.45 3.90 8.63 14.51 112.82 -102.21 -67.54 147.54 97.50 0.56 1.94 84.97 6.44 5.73 0.29 1.94 0.00 0.26 0.37 59 Q C C 157.46 0.83 9.20 10.45 98.70 -147.50 -85.80 -10.92 94.06 2.99 2.95 42.37 34.38 16.95 0.37 2.99 0.00 1.43 1.52 60 S C C 86.66 1.24 9.24 11.38 125.18 44.73 -122.76 153.50 89.94 7.77 2.29 45.25 29.93 14.72 0.37 2.30 0.00 3.76 3.66 61 Y C C 167.63 2.99 6.79 12.00 117.42 -122.35 -103.85 131.62 97.21 2.73 0.06 92.04 5.29 0.23 0.02 0.03 0.00 1.50 0.88 62 P C C 101.84 2.58 11.15 15.02 110.68 -94.19 -70.62 143.39 99.95 0.04 0.00 99.83 0.12 0.03 0.00 0.00 0.00 0.02 0.00