# 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 131.54 3.74 11.14 16.36 114.21 -151.71 -95.05 129.68 99.75 0.23 0.02 99.69 0.13 0.03 0.01 0.00 0.00 0.09 0.05 1 A C C 72.36 4.66 7.62 14.05 117.00 -128.51 -87.79 140.64 97.15 0.68 2.17 96.40 0.54 0.80 1.35 0.29 0.00 0.25 0.36 2 P C C 99.96 2.47 8.94 13.00 112.81 -107.37 -68.50 147.16 83.27 1.01 15.72 72.11 4.37 7.76 7.69 7.02 0.00 0.56 0.50 3 S C C 89.96 2.05 8.01 11.70 109.76 -116.46 -80.05 129.45 64.89 2.38 32.73 43.01 9.15 12.27 14.87 18.33 0.01 1.29 1.07 4 V C C 114.01 2.52 7.84 12.05 111.86 -159.18 -95.36 114.15 52.01 4.38 43.60 30.52 10.56 11.29 20.81 22.72 0.04 2.65 1.41 5 V C C 113.14 2.29 8.35 12.31 113.74 -142.18 -94.45 125.10 51.14 6.09 42.78 32.47 9.12 9.59 23.68 19.35 0.04 4.05 1.71 6 L C C 118.65 3.08 8.10 13.09 113.41 -139.23 -89.99 131.96 53.48 5.91 40.60 36.09 9.34 8.01 26.51 14.37 0.03 3.84 1.80 7 R C C 148.61 3.65 9.18 14.60 114.06 -144.77 -92.30 132.97 57.72 6.41 35.87 40.18 9.53 7.99 26.42 9.76 0.03 4.28 1.81 8 S C C 67.18 3.19 10.52 15.10 111.53 -113.37 -76.29 141.56 57.87 5.59 36.54 43.54 6.37 7.76 27.98 8.86 0.01 3.63 1.83 9 F H H 137.68 3.89 9.55 15.04 96.59 -125.05 -67.97 -30.74 29.93 2.12 67.95 15.37 5.90 9.54 46.25 20.89 0.08 1.30 0.67 10 S H H 76.29 2.70 11.08 15.01 94.61 64.36 -69.96 -25.93 20.23 0.97 78.81 7.06 3.28 9.11 51.00 28.60 0.06 0.64 0.26 11 R H H 151.53 2.87 10.76 14.93 95.32 60.24 -73.52 -21.83 18.21 0.80 80.99 4.84 2.75 9.25 50.49 31.86 0.07 0.52 0.21 12 L H H 108.79 4.25 9.59 15.20 98.45 59.55 -81.46 -11.75 29.15 1.94 68.91 7.14 5.10 15.47 44.01 26.08 0.33 1.19 0.68 13 L C H 118.15 2.96 9.88 14.35 105.61 60.40 -89.84 39.53 49.88 7.28 42.84 16.80 13.74 21.61 26.99 12.85 0.92 3.63 3.46 14 A C C 72.22 3.30 8.92 14.11 116.71 118.89 -87.77 141.28 86.27 5.62 8.11 43.39 38.47 5.11 5.36 2.56 0.02 3.00 2.09 15 P C C 111.20 1.91 9.97 13.31 112.88 -106.07 -69.80 144.39 81.45 8.66 9.89 63.20 10.04 7.86 4.67 5.35 0.01 5.78 3.10 16 A C C 78.94 4.28 7.30 13.56 114.73 -115.68 -82.44 139.48 80.89 10.17 8.93 60.43 12.75 7.40 3.53 5.53 0.01 6.39 3.94 17 R C C 181.71 1.43 9.77 12.41 115.12 -139.28 -94.24 131.45 85.03 9.50 5.47 57.19 21.69 6.30 2.07 3.40 0.01 5.65 3.69 18 L C C 118.58 3.47 7.58 12.93 117.45 -127.76 -92.81 136.35 92.00 5.89 2.11 64.12 24.65 3.49 0.78 1.37 0.00 3.56 2.03 19 P C C 108.59 2.32 8.71 12.67 108.53 -110.51 -71.88 135.97 90.80 3.59 5.61 54.26 17.23 19.42 1.40 4.31 0.00 2.25 1.14 20 S C C 82.78 2.49 8.48 12.65 116.40 -133.55 -103.98 130.89 85.79 5.40 8.81 47.72 19.67 18.60 2.68 6.07 0.01 2.78 2.47 21 C C C 102.42 2.59 8.23 12.41 102.98 -150.19 -84.38 1.56 75.78 4.04 20.18 39.85 20.93 15.42 8.80 11.06 0.02 2.02 1.89 22 S C C 86.65 1.87 9.29 12.42 103.58 82.51 -81.06 -7.56 65.73 3.43 30.83 28.01 16.51 22.04 15.60 14.48 0.07 1.85 1.45 23 S C C 82.64 2.38 9.46 13.21 103.37 61.36 -87.48 8.05 59.98 5.46 34.55 29.33 13.52 17.79 19.25 14.88 0.11 3.22 1.90 24 T C C 83.88 4.84 9.05 15.51 107.22 80.31 -86.72 64.03 51.76 7.73 40.51 32.08 10.23 9.71 25.14 15.54 0.08 5.00 2.21 25 R C H 150.44 3.85 10.35 15.77 107.00 57.40 -86.31 64.02 47.84 9.45 42.71 26.45 10.12 11.80 26.87 15.66 0.16 6.64 2.30 26 S C C 68.71 4.61 10.48 16.68 108.12 54.03 -86.34 101.90 51.88 8.52 39.60 32.48 8.53 10.73 24.26 15.79 0.07 6.13 2.00 27 K C C 137.12 3.61 11.71 16.67 101.05 54.07 -84.12 -3.76 51.00 10.75 38.25 24.98 12.08 14.59 24.07 13.91 0.26 7.99 2.12 28 F C C 125.67 5.85 10.31 17.54 113.01 61.82 -95.17 118.97 47.33 20.84 31.83 23.43 11.12 13.68 21.08 10.56 0.50 16.44 3.19 29 Y C C 146.50 4.36 11.59 17.48 113.42 90.66 -102.68 124.52 45.79 30.48 23.73 28.05 9.22 8.62 17.91 6.53 0.30 24.25 5.12 30 V C C 96.43 5.00 9.74 16.46 114.43 -166.91 -99.60 123.78 61.49 25.24 13.27 41.17 12.44 7.14 10.44 3.86 0.10 21.23 3.63 31 R C C 155.91 3.17 10.43 15.29 119.06 -158.86 -105.43 140.21 76.91 16.75 6.34 50.89 19.91 6.19 4.28 2.51 0.03 12.74 3.44 32 E C C 129.04 3.47 9.78 15.14 115.08 -114.85 -85.00 138.15 94.94 4.20 0.86 63.06 30.88 1.53 0.42 0.40 0.00 2.59 1.12 33 P C C 89.16 3.95 9.32 14.96 111.81 -101.77 -68.78 146.38 95.19 1.42 3.39 77.83 9.93 7.46 1.08 2.24 0.00 0.89 0.56 34 V C C 117.41 2.21 8.81 12.47 103.64 -133.38 -80.95 19.46 91.31 1.60 7.09 50.43 17.55 23.38 1.56 5.45 0.00 0.77 0.86 35 N C C 111.87 2.59 8.33 12.47 107.30 76.41 -92.93 76.71 91.12 1.58 7.30 36.13 26.06 29.20 1.45 5.57 0.00 0.70 0.89 36 A C S 84.87 2.40 9.75 13.49 101.91 116.40 -83.93 2.15 92.79 1.48 5.73 28.92 46.56 17.64 1.19 4.12 0.00 0.68 0.87 37 K C S 153.43 1.62 11.79 14.29 113.04 44.37 -108.19 112.73 96.69 1.98 1.33 40.69 53.79 2.52 0.53 0.60 0.00 0.79 1.08 38 P C C 65.24 10.22 8.13 19.03 115.69 -124.28 -69.87 147.13 95.35 2.03 2.62 83.84 8.70 2.79 1.50 0.97 0.00 0.90 1.29 39 N C C 90.14 3.77 13.02 18.09 110.68 -121.17 -85.41 126.85 91.97 3.66 4.37 85.43 4.40 1.62 3.81 0.70 0.00 1.13 2.91 40 W H H 173.55 3.57 11.42 16.89 93.88 -139.90 -62.78 -35.03 10.68 0.11 89.21 2.74 2.07 6.22 86.58 2.23 0.04 0.05 0.07 41 L H H 116.45 1.43 14.79 15.63 92.49 54.56 -65.03 -39.65 7.27 0.06 92.67 1.14 0.86 5.17 90.31 2.43 0.03 0.03 0.03 42 A H H 46.42 5.78 13.96 21.39 92.71 48.92 -67.04 -39.62 4.28 0.07 95.65 1.15 0.56 2.60 93.19 2.42 0.02 0.04 0.03 43 V H H 52.19 8.98 13.26 23.75 92.10 51.95 -64.23 -42.21 1.11 0.02 98.87 0.32 0.14 0.60 98.27 0.65 0.00 0.01 0.01 44 G H H 36.41 3.24 17.48 21.10 91.89 50.64 -63.70 -42.25 1.03 0.02 98.95 0.22 0.10 0.65 98.48 0.54 0.00 0.01 0.00 45 L H H 92.87 2.76 18.59 21.16 92.32 49.33 -65.35 -41.06 1.47 0.02 98.52 0.21 0.13 1.04 97.91 0.69 0.01 0.01 0.01 46 S H H 37.53 8.28 16.01 25.78 92.19 50.69 -64.71 -41.75 1.89 0.02 98.10 0.31 0.19 1.27 97.68 0.53 0.01 0.01 0.01 47 V H H 74.39 5.49 18.56 24.73 92.03 49.15 -65.05 -41.39 1.83 0.01 98.16 0.30 0.17 1.24 98.03 0.26 0.00 0.00 0.00 48 G H H 36.27 2.80 19.31 21.73 91.97 50.48 -64.12 -42.12 1.44 0.00 98.56 0.25 0.12 0.93 98.52 0.18 0.00 0.00 0.00 49 A H H 47.79 4.39 18.06 23.28 91.94 49.96 -64.72 -41.54 0.82 0.00 99.18 0.17 0.08 0.49 99.14 0.13 0.00 0.00 0.00 50 S H H 41.19 6.84 16.48 24.80 92.00 51.13 -64.38 -41.53 0.45 0.00 99.55 0.09 0.03 0.26 99.54 0.07 0.00 0.00 0.00 51 V H H 78.45 2.96 18.12 21.06 91.78 50.47 -64.13 -42.25 0.16 0.00 99.84 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 52 F H H 117.65 2.14 17.90 19.44 91.79 50.04 -64.20 -42.04 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.02 0.00 0.00 0.00 53 M H H 88.24 4.37 16.16 21.37 91.69 50.13 -64.40 -41.83 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 54 W H H 131.16 3.93 16.18 21.00 91.82 50.60 -64.09 -41.42 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 55 I H H 92.99 2.14 16.86 18.66 91.52 50.20 -64.23 -41.97 0.13 0.00 99.87 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 56 Y H H 119.53 2.72 16.39 19.23 91.81 49.46 -64.66 -41.65 0.27 0.00 99.73 0.01 0.01 0.21 99.69 0.08 0.00 0.00 0.00 57 L H H 75.79 4.66 14.99 20.90 91.87 50.04 -64.60 -41.74 0.54 0.00 99.46 0.03 0.02 0.43 99.40 0.11 0.00 0.00 0.00 58 I H H 89.73 2.81 15.68 18.95 92.09 49.16 -64.99 -41.90 0.71 0.01 99.28 0.08 0.06 0.52 99.13 0.20 0.00 0.00 0.00 59 Q H H 103.54 1.78 16.62 17.73 92.00 49.50 -65.14 -41.21 1.30 0.01 98.69 0.15 0.08 0.97 98.44 0.36 0.00 0.00 0.00 60 T H H 69.40 3.06 15.81 19.38 92.43 47.88 -65.66 -41.01 3.49 0.01 96.50 0.30 0.25 2.78 96.16 0.49 0.00 0.00 0.01 61 H H H 90.59 4.71 14.58 20.54 92.52 49.35 -66.03 -40.09 9.18 0.03 90.79 1.29 0.86 6.58 90.63 0.61 0.01 0.01 0.02 62 N H H 87.46 2.62 15.81 18.75 92.29 50.73 -65.10 -40.04 6.65 0.02 93.33 2.06 0.67 3.42 93.29 0.54 0.00 0.01 0.01 63 E H H 110.02 1.74 16.85 17.73 92.65 50.17 -65.50 -41.05 1.21 0.00 98.78 0.20 0.11 0.74 98.71 0.23 0.00 0.00 0.00 64 D H H 71.87 3.50 15.43 19.79 92.47 50.53 -65.24 -40.78 1.04 0.00 98.96 0.17 0.09 0.66 98.82 0.26 0.00 0.00 0.00 65 V H H 70.24 3.95 14.79 19.88 92.15 49.91 -64.47 -41.54 0.60 0.00 99.40 0.07 0.04 0.39 99.34 0.16 0.00 0.00 0.00 66 L H H 86.61 2.05 15.65 17.59 91.76 50.05 -64.06 -41.37 0.42 0.00 99.58 0.05 0.02 0.25 99.59 0.08 0.00 0.00 0.00 67 E H H 95.74 1.97 15.40 17.21 91.75 50.12 -64.06 -41.59 0.41 0.00 99.59 0.05 0.02 0.24 99.61 0.08 0.00 0.00 0.00 68 Y H H 100.46 3.38 12.81 17.63 91.92 49.45 -64.79 -41.51 0.42 0.00 99.58 0.05 0.03 0.26 99.54 0.11 0.00 0.00 0.00 69 K H H 104.14 2.88 12.17 16.27 92.07 50.32 -64.50 -40.99 0.61 0.00 99.38 0.08 0.04 0.39 99.31 0.18 0.00 0.00 0.00 70 R H H 159.62 1.11 12.31 13.13 92.42 48.85 -66.01 -40.00 1.42 0.00 98.57 0.11 0.08 1.10 98.34 0.36 0.00 0.00 0.00 71 R H H 168.01 1.08 11.14 12.24 93.13 47.67 -69.10 -33.08 7.60 0.01 92.40 0.22 0.30 7.10 91.83 0.53 0.01 0.00 0.00 72 N C T 105.23 2.21 10.08 13.38 95.82 40.79 -93.09 0.51 71.16 0.03 28.81 0.58 1.67 67.93 29.03 0.73 0.00 0.01 0.03 73 G C T 60.23 1.11 10.87 12.39 95.46 -112.74 75.21 13.20 99.10 0.06 0.84 4.82 3.04 91.50 0.46 0.14 0.00 0.02 0.02 74 L C C 96.88 4.43 7.48 13.78 106.66 131.99 -89.43 53.86 98.76 0.54 0.69 95.45 1.48 2.02 0.30 0.21 0.00 0.21 0.33 75 E C C 134.76 2.91 12.31 16.74 113.18 90.31 -96.64 131.46 99.93 0.05 0.02 99.78 0.13 0.05 0.01 0.00 0.00 0.03 0.01