# 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 114.30 5.49 12.56 19.51 116.95 -157.02 -100.28 131.51 99.62 0.33 0.04 99.53 0.16 0.06 0.02 0.00 0.00 0.17 0.04 1 I C C 101.32 6.45 9.11 17.08 114.58 -150.85 -93.89 129.08 82.48 11.96 5.56 78.73 1.62 2.27 4.45 1.10 0.00 7.25 4.58 2 R C C 152.79 3.01 10.15 14.85 113.90 -143.46 -89.23 136.76 74.53 11.76 13.71 59.48 8.54 5.23 11.91 3.05 0.01 8.48 3.29 3 R C C 163.27 2.90 10.30 14.81 102.94 -126.48 -77.78 -9.64 53.99 7.78 38.23 34.09 10.78 9.86 31.34 6.55 0.08 5.44 1.86 4 S H H 68.71 3.80 10.96 16.11 109.16 67.71 -89.30 106.70 46.49 4.14 49.37 29.22 8.77 10.15 39.53 8.40 0.07 2.66 1.20 5 C H H 73.79 6.12 10.61 18.07 99.36 50.16 -76.14 -24.11 30.63 2.70 66.67 18.13 6.14 8.42 51.45 13.24 0.07 1.79 0.76 6 A H H 65.01 4.82 12.20 18.47 97.41 65.94 -71.43 -30.86 24.82 2.65 72.53 13.18 4.81 8.33 56.28 14.72 0.09 1.94 0.65 7 L H H 102.78 3.56 13.37 17.92 98.03 56.62 -77.26 -22.50 26.78 3.19 70.03 13.17 5.25 10.04 54.60 13.63 0.15 2.31 0.84 8 L H H 86.26 6.52 12.56 20.48 100.72 59.51 -78.15 -22.35 34.73 3.01 62.26 17.94 8.24 11.64 51.24 7.98 0.15 1.75 1.07 9 S H H 52.57 8.15 12.34 21.66 100.24 58.17 -78.85 -11.47 41.99 1.45 56.56 25.24 7.86 10.50 50.48 4.60 0.03 0.73 0.57 10 S H H 64.81 3.71 14.43 19.01 96.05 63.46 -68.80 -33.80 33.88 0.94 65.19 14.00 7.14 14.68 56.88 6.32 0.09 0.50 0.40 11 S H H 61.29 3.20 14.50 18.49 95.30 54.06 -68.58 -37.24 27.63 1.05 71.33 10.53 5.63 13.35 61.76 7.46 0.19 0.64 0.44 12 W H H 77.27 9.91 10.58 21.79 93.42 55.78 -67.79 -37.88 18.78 1.45 79.78 7.34 4.13 9.28 66.65 10.88 0.24 0.99 0.49 13 R H H 132.06 5.33 12.28 19.19 93.38 55.43 -66.03 -38.11 15.12 1.25 83.62 5.25 2.52 7.97 67.81 14.99 0.15 0.96 0.34 14 D H H 119.61 1.07 13.43 14.14 92.52 55.00 -69.13 -24.57 25.49 0.98 73.53 4.54 3.47 16.80 58.47 15.36 0.29 0.66 0.40 15 H C T 125.58 3.16 11.84 16.21 95.82 53.08 -88.33 0.51 65.30 0.39 34.31 2.29 4.57 57.58 24.53 10.45 0.06 0.19 0.32 16 G C T 56.56 1.65 14.65 16.45 97.81 -102.89 83.41 11.93 99.06 0.13 0.81 7.68 4.94 86.66 0.34 0.27 0.00 0.07 0.04 17 I C C 52.99 11.94 7.92 20.55 117.10 140.95 -89.47 134.14 96.20 3.47 0.33 92.49 3.47 0.35 0.21 0.10 0.00 1.30 2.10 18 S C C 55.42 2.64 17.45 19.85 121.31 -136.63 -85.54 162.09 96.65 2.92 0.43 95.54 1.30 0.18 0.32 0.06 0.00 0.94 1.67 19 Y H H 132.12 7.55 12.40 21.40 91.69 -109.11 -58.82 -38.27 1.95 0.02 98.04 0.51 0.32 1.01 97.84 0.30 0.00 0.01 0.01 20 L H H 112.34 1.48 16.39 17.11 91.73 52.80 -64.71 -40.36 0.67 0.00 99.33 0.10 0.05 0.43 99.15 0.27 0.00 0.00 0.00 21 K H H 102.89 4.07 16.76 21.63 92.01 49.45 -65.93 -40.32 0.27 0.00 99.72 0.04 0.02 0.17 99.50 0.27 0.00 0.00 0.00 22 Y H H 55.03 12.77 13.76 27.39 92.06 50.74 -64.05 -42.36 0.12 0.00 99.88 0.02 0.01 0.06 99.84 0.07 0.00 0.00 0.00 23 L H H 78.65 5.52 17.71 24.12 91.65 50.41 -63.82 -41.23 0.13 0.00 99.87 0.01 0.01 0.07 99.88 0.02 0.00 0.00 0.00 24 N H H 89.82 2.29 19.92 21.37 91.92 49.98 -64.88 -41.37 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.02 0.00 0.00 0.00 25 V H H 52.24 7.32 18.10 26.74 91.96 49.26 -64.72 -42.40 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 26 C H H 38.73 10.20 16.83 28.03 91.90 50.46 -63.77 -42.18 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.02 0.00 0.00 0.00 27 T H H 65.18 3.92 19.13 23.38 91.70 50.01 -63.92 -41.61 0.27 0.00 99.73 0.04 0.02 0.17 99.75 0.03 0.00 0.00 0.00 28 E H H 107.10 2.61 19.84 21.97 92.01 49.73 -65.13 -41.46 0.27 0.00 99.73 0.03 0.02 0.17 99.74 0.04 0.00 0.00 0.00 29 T H H 49.50 7.67 16.73 25.56 92.19 49.53 -65.30 -42.20 0.45 0.00 99.55 0.06 0.03 0.28 99.56 0.07 0.00 0.00 0.00 30 L H H 75.17 6.70 16.87 24.27 91.66 49.53 -64.19 -41.63 0.97 0.00 99.03 0.15 0.07 0.62 98.97 0.19 0.00 0.00 0.00 31 H H H 111.58 2.42 17.77 20.01 92.21 49.83 -65.57 -40.04 2.93 0.02 97.04 0.44 0.24 2.07 96.66 0.58 0.01 0.01 0.01 32 S H H 56.71 3.63 16.46 20.69 92.56 50.45 -67.16 -38.61 9.86 0.08 90.06 1.26 0.89 7.45 88.99 1.31 0.03 0.04 0.03 33 T H H 57.26 7.04 13.68 21.91 94.06 52.21 -69.70 -36.38 21.49 0.38 78.13 4.26 2.79 14.65 75.95 1.92 0.07 0.17 0.17 34 V H H 81.93 4.33 14.24 19.51 96.37 50.56 -73.48 -32.47 36.15 2.13 61.72 14.10 7.57 16.16 57.87 2.31 0.11 1.00 0.90 35 K H H 127.73 2.52 13.77 16.92 98.07 57.57 -70.72 -37.05 44.29 1.91 53.81 22.87 11.15 11.15 50.43 2.76 0.04 0.88 0.72 36 E H H 122.34 2.60 13.89 17.03 96.38 48.85 -71.30 -37.22 38.46 0.89 60.64 18.82 7.50 12.66 55.98 4.23 0.03 0.45 0.33 37 S H H 61.17 3.29 13.74 17.90 95.93 50.83 -68.85 -38.04 37.64 0.78 61.58 19.63 6.01 12.86 55.51 5.26 0.02 0.41 0.30 38 R H H 118.97 4.80 13.18 19.35 94.11 53.60 -66.62 -37.35 28.01 0.99 71.00 16.70 4.67 8.31 62.81 6.58 0.02 0.57 0.35 39 R H H 126.65 3.95 14.03 19.16 93.04 53.81 -65.88 -38.93 21.47 1.14 77.39 12.58 3.89 6.74 68.22 7.48 0.03 0.70 0.35 40 A H H 55.48 2.83 14.78 18.26 92.63 52.13 -65.50 -39.71 21.47 1.28 77.25 11.71 3.77 7.43 66.98 8.86 0.04 0.85 0.36 41 K H H 113.88 3.10 15.00 18.82 92.67 51.32 -66.66 -38.48 24.27 1.35 74.38 11.17 4.19 10.33 63.69 9.26 0.06 0.89 0.41 42 Y H H 101.39 6.17 12.51 20.25 93.55 50.90 -68.94 -35.63 22.87 1.16 75.96 11.36 4.06 9.02 64.20 10.22 0.05 0.74 0.37 43 E H H 109.23 3.31 14.24 18.50 93.13 57.81 -65.20 -38.01 21.75 1.36 76.88 10.70 3.67 8.28 62.46 13.52 0.05 0.96 0.36 44 R H H 144.63 2.55 14.14 17.40 93.41 53.77 -68.27 -33.92 26.81 1.82 71.37 9.49 4.24 13.13 55.81 15.42 0.14 1.26 0.51 45 W H H 137.90 5.67 11.91 18.94 97.06 49.05 -85.39 -16.79 35.94 2.51 61.55 13.26 6.86 17.18 48.32 11.70 0.23 1.51 0.95 46 S C H 65.32 5.86 11.78 19.03 98.65 65.68 -83.30 -9.41 60.76 4.20 35.03 25.74 16.01 20.60 27.82 5.88 0.16 2.10 1.69 47 K C S 133.57 3.00 13.38 17.66 115.15 84.42 -98.33 129.91 93.35 4.12 2.52 38.42 51.21 4.42 1.34 1.00 0.00 2.31 1.29 48 P C C 84.81 5.84 10.91 18.37 112.21 -115.12 -73.33 141.78 89.29 7.35 3.36 47.66 25.19 17.08 0.79 2.34 0.00 6.05 0.91 49 C E E 80.00 4.97 12.11 18.68 122.88 -145.43 -115.47 138.29 47.59 49.57 2.84 25.77 13.05 11.96 0.60 2.09 0.01 45.01 1.50 50 Y E E 120.29 8.08 10.34 19.98 123.71 -162.98 -117.10 141.25 22.02 76.93 1.05 18.17 3.60 1.07 0.43 0.59 0.00 74.44 1.69 51 T E E 80.48 4.75 13.01 19.67 123.56 -164.89 -120.56 139.75 13.58 85.64 0.79 11.51 1.58 0.56 0.34 0.34 0.00 84.82 0.86 52 A E E 59.63 7.96 10.52 20.04 122.00 -158.23 -111.11 138.26 17.09 82.05 0.86 13.48 3.49 0.92 0.32 0.43 0.00 80.43 0.94 53 Q E E 111.41 3.74 11.24 16.95 120.98 -162.16 -113.86 136.00 29.31 70.01 0.68 23.47 5.95 1.03 0.28 0.43 0.00 66.39 2.45 54 R C C 133.26 4.64 9.18 15.77 116.49 -131.88 -89.45 136.14 73.88 25.54 0.58 62.79 8.28 1.25 0.14 0.46 0.00 25.76 1.32 55 P C C 106.48 2.51 8.61 12.81 97.55 -118.94 -64.86 -25.98 82.64 8.39 8.97 32.68 18.13 32.37 1.11 8.04 0.01 6.47 1.18 56 D C T 127.05 0.70 9.46 9.97 103.26 43.83 -89.71 12.97 84.72 3.97 11.31 20.34 24.30 40.48 1.33 9.89 0.01 2.32 1.34 57 G C S 55.02 1.86 8.82 12.03 109.50 -58.06 91.99 -0.57 85.67 3.36 10.97 24.09 34.59 27.18 1.21 9.80 0.00 1.79 1.34 58 A C T 92.72 1.20 8.86 10.89 109.19 53.34 -83.56 116.87 87.63 4.82 7.56 26.14 25.37 36.58 1.03 6.56 0.00 2.98 1.33 59 G C C 55.21 2.09 9.94 13.30 109.25 18.07 88.70 -3.10 84.97 10.65 4.38 30.45 27.10 28.48 0.61 3.82 0.00 7.95 1.59 60 G C C 41.27 3.60 10.61 15.77 122.80 146.87 -101.09 173.64 75.29 22.61 2.10 55.44 14.34 4.92 0.45 1.84 0.00 21.24 1.76 61 Q E E 118.92 5.23 9.35 16.77 122.65 -118.10 -112.04 141.13 41.41 57.66 0.93 35.05 5.05 1.17 0.38 0.62 0.00 55.32 2.42 62 E E E 111.39 4.64 11.79 18.47 123.88 -167.63 -120.50 140.64 18.66 80.78 0.57 16.26 1.98 0.50 0.27 0.28 0.00 79.68 1.03 63 T E E 95.28 3.78 12.40 18.04 115.55 -126.40 -88.07 132.26 15.41 83.92 0.67 13.86 1.21 0.41 0.35 0.29 0.00 82.59 1.28 64 I E E 64.12 10.61 8.01 19.56 119.54 -162.98 -110.96 132.32 31.94 66.57 1.49 29.64 1.69 0.66 0.78 0.67 0.00 64.93 1.63 65 D C E 121.29 1.43 14.15 15.76 100.46 -165.72 -91.46 -16.45 52.34 45.57 2.09 31.44 18.70 3.62 0.63 1.35 0.00 43.41 0.85 66 K C E 138.16 2.35 14.65 17.92 125.47 22.44 -132.45 140.32 51.89 45.34 2.77 32.93 17.44 4.11 0.83 2.03 0.01 40.66 2.00 67 V C C 63.25 12.49 9.06 21.75 116.62 -136.06 -95.81 131.19 69.70 29.55 0.76 62.06 6.47 0.60 0.40 0.39 0.00 28.31 1.76 68 P C C 64.51 6.56 12.01 20.41 113.04 -110.90 -67.09 148.82 76.42 20.37 3.21 68.43 5.03 2.38 1.10 1.93 0.00 19.23 1.90 69 I C C 121.81 3.80 11.59 16.91 110.06 -131.99 -83.71 117.67 76.92 12.15 10.93 48.11 20.85 8.45 3.77 7.05 0.01 8.92 2.84 70 H C C 124.75 3.98 10.43 16.03 116.92 23.82 -105.47 130.02 74.74 13.21 12.05 53.34 12.60 8.49 4.02 8.26 0.01 9.70 3.58 71 T C C 80.85 5.94 7.41 14.90 113.82 -161.48 -96.67 131.93 73.61 9.42 16.96 51.17 12.48 9.86 4.49 12.79 0.01 6.74 2.48 72 K C C 161.59 1.40 9.68 12.01 103.93 -156.10 -86.72 5.87 77.43 6.75 15.82 35.90 22.66 20.06 3.06 12.15 0.01 4.49 1.66 73 D C C 114.54 1.81 8.77 11.90 105.89 74.25 -88.72 58.73 83.85 4.57 11.58 62.69 4.86 16.70 2.43 8.65 0.00 3.37 1.31 74 Y C C 142.59 5.52 8.91 16.00 108.26 130.52 -92.96 85.16 99.66 0.27 0.07 99.45 0.20 0.12 0.03 0.01 0.00 0.15 0.04