# 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 103.74 7.52 11.41 20.14 114.27 -149.80 -90.43 131.99 99.86 0.13 0.01 99.68 0.20 0.03 0.00 0.00 0.00 0.05 0.03 1 E C C 117.03 3.99 11.03 16.87 116.39 -136.07 -87.10 136.38 98.70 0.50 0.80 97.24 1.08 0.62 0.39 0.18 0.00 0.18 0.31 2 P C C 89.06 4.80 9.42 16.12 105.65 -108.10 -64.88 138.05 81.03 0.91 18.06 53.11 6.92 20.76 4.30 13.91 0.00 0.49 0.51 3 D C T 113.12 2.36 10.46 14.18 103.93 -105.13 -76.81 70.14 76.96 1.19 21.85 30.17 13.43 34.19 5.25 15.64 0.00 0.54 0.77 4 G C C 50.46 3.90 10.65 15.87 100.45 12.46 48.53 3.03 75.09 1.41 23.50 32.22 20.11 23.60 6.69 15.74 0.01 0.59 1.04 5 R C C 146.78 3.47 10.79 15.99 105.99 106.86 -85.80 52.35 72.65 1.19 26.16 35.75 22.18 15.52 18.53 6.67 0.01 0.41 0.92 6 G C H 41.32 3.30 13.20 17.43 111.34 8.55 55.30 -141.74 54.72 0.65 44.63 22.60 17.43 16.15 37.65 5.48 0.03 0.23 0.42 7 A H H 65.39 4.21 13.52 18.82 94.35 -16.25 -66.63 -35.19 32.55 0.33 67.12 9.98 6.98 16.59 60.86 5.21 0.06 0.14 0.20 8 W H H 111.40 7.89 12.50 21.63 93.62 53.57 -68.23 -36.11 19.79 0.25 79.95 8.48 3.03 9.05 74.85 4.33 0.02 0.12 0.12 9 A H H 58.12 3.30 15.83 19.86 92.39 56.27 -63.76 -41.15 4.02 0.04 95.93 1.96 0.63 1.49 94.79 1.10 0.00 0.02 0.01 10 H H H 119.01 2.20 17.60 19.51 92.38 49.25 -65.51 -39.84 2.16 0.02 97.82 0.83 0.28 0.97 97.35 0.56 0.00 0.01 0.00 11 S H H 34.41 9.84 14.83 25.97 92.43 50.91 -65.06 -41.40 1.47 0.01 98.51 0.54 0.16 0.65 98.32 0.32 0.00 0.00 0.00 12 R H H 120.85 5.53 17.96 24.27 91.90 50.97 -63.56 -41.35 0.54 0.00 99.46 0.15 0.05 0.25 99.44 0.12 0.00 0.00 0.00 13 A H H 56.03 2.35 20.01 21.49 91.48 50.26 -63.75 -42.02 0.36 0.00 99.64 0.08 0.02 0.18 99.64 0.08 0.00 0.00 0.00 14 A H H 33.96 7.68 17.60 26.89 91.71 50.31 -63.98 -41.80 0.36 0.00 99.64 0.06 0.02 0.20 99.65 0.07 0.00 0.00 0.00 15 L H H 48.00 12.63 16.65 29.91 91.69 50.41 -64.01 -40.93 0.36 0.00 99.64 0.05 0.01 0.21 99.64 0.08 0.00 0.00 0.00 16 D H H 78.10 3.60 20.06 23.68 91.51 50.96 -63.61 -41.09 0.78 0.00 99.22 0.08 0.03 0.52 99.25 0.11 0.00 0.00 0.00 17 R H H 124.82 3.32 20.38 23.67 91.79 49.76 -64.65 -40.81 1.11 0.00 98.88 0.11 0.06 0.77 98.88 0.17 0.00 0.00 0.00 18 L H H 34.91 15.23 16.83 32.39 91.96 50.21 -64.75 -41.20 0.57 0.00 99.43 0.09 0.03 0.34 99.11 0.43 0.00 0.00 0.00 19 E H H 73.37 12.42 18.14 30.64 91.35 52.56 -62.50 -40.61 0.55 0.00 99.45 0.05 0.02 0.37 98.79 0.77 0.00 0.00 0.00 20 K H H 123.27 3.14 22.06 25.17 91.73 51.42 -65.82 -37.33 1.52 0.00 98.48 0.08 0.06 1.23 96.54 2.08 0.00 0.00 0.00 21 L H H 57.02 10.82 19.61 30.99 91.82 53.23 -69.04 -29.89 6.09 0.01 93.90 0.20 0.26 5.62 91.25 2.66 0.01 0.00 0.00 22 L H H 18.17 21.01 15.90 36.90 94.33 56.59 -86.20 -4.17 37.10 0.35 62.54 3.64 3.35 29.69 59.03 3.85 0.08 0.13 0.24 23 R C C 115.37 8.80 21.25 30.56 114.92 100.78 -81.75 127.71 70.22 8.99 20.80 33.65 12.67 23.00 16.31 3.82 0.08 2.42 8.04 24 C C C 20.67 17.94 11.75 29.51 117.58 -143.65 -81.43 144.20 88.76 8.70 2.54 68.65 14.94 2.50 1.85 0.70 0.00 1.85 9.52 25 S C T 80.99 2.52 18.54 21.27 92.81 -121.82 -64.18 -34.89 81.78 1.30 16.92 2.93 18.89 61.65 7.15 7.21 0.31 0.62 1.24 26 R C T 117.59 7.61 17.13 25.49 96.55 43.65 -77.19 -34.22 83.29 0.38 16.34 0.95 8.59 76.13 5.63 8.02 0.04 0.17 0.47 27 C C T 16.76 19.25 12.04 30.93 102.18 29.41 -107.40 -2.84 77.91 1.86 20.23 3.73 11.00 63.21 7.12 11.74 0.19 0.83 2.19 28 T C T 71.55 9.65 15.32 25.79 95.13 116.75 -57.38 -20.27 55.20 1.18 43.62 5.03 6.34 42.84 11.94 32.13 0.09 0.61 1.03 29 N C T 118.05 2.32 20.65 22.83 93.48 58.14 -68.70 -15.90 56.75 0.64 42.61 3.92 6.63 46.06 10.34 32.13 0.04 0.33 0.54 30 I C T 40.78 15.08 16.40 31.62 96.60 60.49 -88.12 -16.35 57.53 2.14 40.33 10.48 10.50 37.06 13.41 25.90 0.13 0.97 1.56 31 L C C 22.18 22.41 11.72 33.11 113.80 89.89 -84.89 128.30 88.88 8.31 2.80 76.56 8.91 1.66 1.61 1.11 0.00 2.82 7.33 32 R C S 133.86 4.88 21.00 26.60 121.17 -163.82 -106.55 157.21 95.84 3.95 0.21 44.77 50.18 1.54 0.06 0.13 0.00 2.41 0.91 33 E C S 129.60 3.77 22.10 26.29 108.89 -25.17 -69.49 122.66 93.15 6.80 0.04 13.43 79.40 0.69 0.00 0.03 0.00 6.21 0.24 34 P C C 42.80 18.01 15.64 32.85 116.31 -102.97 -66.46 146.76 73.26 26.65 0.08 69.30 2.37 0.16 0.01 0.07 0.00 27.70 0.38 35 V E E 23.63 16.61 19.90 36.85 125.97 -164.93 -123.68 141.12 2.83 97.13 0.04 2.46 0.27 0.04 0.02 0.03 0.00 95.96 1.23 36 C E E 49.23 11.64 23.18 35.02 121.67 -138.81 -107.95 136.41 3.72 96.26 0.02 3.45 0.20 0.02 0.01 0.01 0.00 95.26 1.05 37 L C C 13.39 22.63 15.13 37.62 112.43 -146.84 -92.03 123.39 67.18 32.14 0.68 60.95 3.29 2.10 0.08 0.72 0.00 31.48 1.38 38 G C T 38.09 9.68 19.15 28.68 101.72 -60.51 56.09 -4.10 94.92 1.28 3.79 2.25 9.69 81.94 0.08 4.82 0.00 0.98 0.25 39 G C T 55.10 3.46 19.91 23.83 96.83 -9.12 79.64 1.16 95.45 0.41 4.15 1.52 8.93 83.97 0.08 5.13 0.00 0.28 0.10 40 C C S 23.20 18.44 11.33 29.28 125.95 97.51 -108.03 157.00 91.20 3.98 4.83 18.69 54.47 17.26 0.29 5.32 0.00 2.37 1.60 41 E C S 129.73 3.94 22.28 26.61 96.02 -131.53 -82.84 5.45 97.47 2.17 0.36 27.85 54.33 15.28 0.03 0.47 0.00 1.75 0.30 42 H C C 40.73 17.02 18.36 35.19 120.68 109.71 -91.89 142.12 79.61 20.29 0.10 66.05 12.43 0.58 0.02 0.10 0.00 19.94 0.87 43 I E E 25.06 18.29 23.75 41.61 121.11 -153.82 -109.11 132.80 5.83 94.15 0.01 5.63 0.28 0.01 0.01 0.00 0.00 92.72 1.34 44 F E E 11.01 21.70 23.93 45.05 135.57 -167.81 -135.33 156.44 1.88 98.11 0.00 1.77 0.08 0.00 0.00 0.00 0.00 96.80 1.34 45 C E E 8.19 19.53 21.84 41.72 117.34 -105.24 -73.58 150.64 40.73 59.23 0.03 40.69 0.59 0.03 0.01 0.02 0.00 57.73 0.93 46 S H H 36.69 14.80 19.79 34.70 91.46 -113.97 -59.96 -35.92 13.77 0.14 86.09 1.23 1.59 9.82 47.28 39.93 0.02 0.09 0.04 47 N H H 95.83 4.04 24.45 28.91 90.97 58.43 -66.58 -28.04 8.70 0.04 91.26 0.37 0.54 7.26 49.58 42.20 0.01 0.03 0.01 48 C H H 17.48 17.64 18.10 35.77 95.26 47.81 -81.93 -25.60 8.05 0.06 91.90 0.62 0.61 5.96 48.81 43.95 0.00 0.04 0.01 49 V H H 8.62 24.12 14.31 37.90 95.88 58.26 -82.48 -16.11 22.03 0.55 77.42 6.25 4.39 11.03 56.65 21.03 0.10 0.27 0.29 50 S H H 64.27 6.97 19.35 27.34 95.03 84.80 -64.99 -42.88 35.46 0.81 63.73 4.34 4.38 24.12 34.35 31.56 0.30 0.42 0.53 51 D H H 117.27 1.67 20.49 21.34 95.10 33.01 -77.93 -13.69 40.60 0.42 58.98 2.86 3.89 31.37 32.26 28.94 0.14 0.23 0.31 52 C H H 34.62 15.90 14.98 30.50 101.09 41.31 -101.84 -7.89 43.98 2.26 53.76 8.90 6.65 26.99 28.56 25.99 0.46 1.25 1.19 53 I C T 48.38 18.63 13.48 30.89 112.05 96.24 -80.72 127.26 60.87 14.49 24.64 18.55 12.78 30.20 17.40 5.89 0.86 6.16 8.17 54 G C T 42.75 5.23 19.72 25.54 117.14 19.79 90.37 -150.52 90.40 3.28 6.32 21.13 20.49 49.44 2.86 2.96 0.01 1.94 1.17 55 T C S 91.14 4.48 19.83 24.88 102.05 -16.37 -99.41 -6.78 91.82 5.29 2.89 27.32 39.39 25.70 0.73 2.00 0.00 3.78 1.09 56 G E B 20.14 10.28 20.69 31.49 137.15 28.04 -134.86 169.59 33.65 65.89 0.46 21.41 6.90 0.39 0.30 0.13 0.00 10.79 60.07 57 C C C 9.12 21.22 14.21 36.12 111.52 -86.34 -76.33 129.79 94.29 5.66 0.05 94.19 0.91 0.10 0.02 0.02 0.00 2.73 2.02 58 P C T 52.46 10.80 19.90 31.81 93.08 -140.37 -67.91 -24.35 99.72 0.09 0.19 0.59 4.75 94.40 0.01 0.17 0.00 0.05 0.03 59 V C T 64.88 10.87 18.16 29.16 100.86 40.70 -87.19 -41.85 99.64 0.11 0.25 0.19 3.47 96.05 0.01 0.18 0.00 0.05 0.04 60 C C T 57.00 6.97 16.44 24.82 101.74 21.43 -107.62 -10.19 99.61 0.13 0.26 1.44 6.20 92.00 0.02 0.22 0.00 0.07 0.06 61 Y C C 141.82 7.25 15.87 24.65 93.89 -125.97 66.62 23.95 99.48 0.43 0.09 80.84 10.98 7.61 0.02 0.06 0.00 0.18 0.29 62 T C C 57.71 6.99 18.33 26.61 119.20 139.31 -87.33 143.90 92.66 7.31 0.02 78.41 14.84 0.17 0.01 0.02 0.00 4.93 1.62 63 P E B 68.54 8.81 20.87 29.96 114.43 -101.62 -65.09 144.38 6.18 93.79 0.03 4.99 0.17 0.01 0.04 0.00 0.00 14.18 80.61 64 A C C 7.58 22.85 13.40 36.27 128.87 -159.27 -124.65 147.39 92.02 7.88 0.10 89.52 3.08 0.19 0.03 0.07 0.00 5.59 1.53 65 W C C 95.93 6.51 24.62 31.25 128.70 -152.31 -115.95 156.92 87.42 11.89 0.69 84.87 2.29 0.22 0.33 0.32 0.00 3.13 8.85 66 I H G 53.66 17.81 13.37 30.81 91.55 -109.00 -58.70 -34.37 10.16 0.27 89.57 1.52 1.48 6.90 4.95 84.90 0.00 0.21 0.02 67 Q H G 134.82 1.96 19.38 21.32 90.10 61.86 -67.78 -21.56 9.08 0.15 90.77 0.75 0.90 6.81 4.22 87.20 0.00 0.12 0.01 68 D H G 67.07 9.16 16.84 27.01 94.73 56.90 -88.77 -4.87 9.86 0.21 89.93 1.71 1.44 5.93 3.78 86.97 0.00 0.15 0.02 69 L C C 19.29 23.53 9.93 32.29 114.32 95.64 -84.92 132.16 77.34 9.63 13.03 57.31 16.91 3.13 4.38 8.62 0.01 5.90 3.75 70 K C C 126.61 3.69 22.48 26.71 118.13 -167.68 -108.78 130.40 72.75 24.82 2.42 65.99 4.54 1.07 1.62 0.89 0.00 14.44 11.45 71 I C C 62.48 16.97 12.88 29.09 115.76 -131.62 -87.03 134.31 72.91 25.34 1.75 67.60 4.22 0.64 1.54 0.42 0.00 12.45 13.11 72 N C C 58.52 9.67 13.86 24.80 109.92 -131.37 -84.53 126.15 96.47 2.46 1.07 95.19 1.42 0.32 0.93 0.11 0.00 1.36 0.66 73 R H H 164.09 2.41 15.32 18.89 93.05 -139.49 -63.02 -35.19 4.04 0.01 95.95 0.60 0.43 2.70 95.02 1.23 0.00 0.00 0.00 74 Q H H 110.15 3.24 16.81 20.33 91.92 53.66 -65.50 -39.75 2.50 0.01 97.50 0.27 0.17 1.88 96.28 1.39 0.00 0.00 0.00 75 L H H 34.58 14.30 13.64 28.66 92.33 49.54 -66.03 -40.76 0.82 0.00 99.17 0.14 0.06 0.51 98.05 1.24 0.00 0.00 0.00 76 D H H 61.13 8.21 16.31 25.72 91.74 52.87 -62.84 -41.20 0.21 0.00 99.79 0.04 0.01 0.10 99.76 0.09 0.00 0.00 0.00 77 S H H 59.00 2.49 19.18 21.08 91.82 50.18 -64.32 -41.16 0.20 0.00 99.80 0.03 0.01 0.12 99.82 0.04 0.00 0.00 0.00 78 M H H 71.57 7.76 17.91 26.45 92.23 50.11 -65.00 -41.81 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 79 I H H 46.07 11.47 16.00 28.57 91.75 50.03 -64.31 -42.24 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 80 Q H H 103.87 2.70 19.78 22.33 91.55 50.62 -63.62 -41.31 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 81 L H H 78.90 3.88 18.42 22.32 91.69 50.16 -64.10 -42.37 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 82 C H H 40.59 9.49 15.79 26.58 91.95 50.09 -64.46 -41.15 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 83 S H H 48.06 5.10 16.69 23.02 91.58 51.85 -63.31 -41.06 0.48 0.00 99.52 0.07 0.02 0.30 99.55 0.06 0.00 0.00 0.00 84 K H H 122.31 1.76 17.95 18.89 91.89 50.32 -64.67 -40.81 0.75 0.00 99.25 0.08 0.04 0.51 99.25 0.12 0.00 0.00 0.00 85 L H H 69.82 5.88 14.93 21.90 92.02 50.37 -65.05 -40.43 0.85 0.00 99.15 0.14 0.06 0.51 99.01 0.27 0.00 0.00 0.00 86 R H H 111.34 5.88 13.92 20.91 91.83 51.97 -64.37 -39.92 1.66 0.00 98.33 0.32 0.12 1.03 97.80 0.72 0.00 0.00 0.00 87 N H H 93.92 1.77 14.11 15.82 92.31 51.25 -65.48 -38.59 5.32 0.02 94.66 0.73 0.37 3.87 93.80 1.21 0.00 0.01 0.01 88 L H H 100.75 2.43 12.14 15.29 92.90 51.56 -67.23 -38.11 8.98 0.04 90.98 1.26 0.76 6.46 90.12 1.37 0.01 0.02 0.02 89 L H H 99.62 4.55 9.95 15.65 94.80 52.08 -71.70 -30.48 22.84 0.22 76.94 4.99 2.81 14.86 75.73 1.37 0.02 0.08 0.13 90 H C H 140.04 2.04 9.44 12.66 99.66 49.75 -88.02 -3.11 54.96 0.33 44.71 22.59 1.49 27.59 46.95 1.06 0.00 0.11 0.21 91 D C C 110.44 2.41 10.81 14.74 103.81 83.88 -78.19 63.31 99.94 0.02 0.05 99.71 0.11 0.13 0.03 0.00 0.00 0.01 0.00