# 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 41.94 16.51 16.93 33.27 123.79 -170.18 -113.73 137.66 96.57 3.43 0.00 96.20 0.12 0.01 0.00 0.00 0.00 3.65 0.02 1 Q E E 82.72 8.32 21.23 30.03 118.69 -143.23 -104.03 131.27 8.13 91.86 0.01 8.28 0.12 0.01 0.00 0.00 0.00 91.34 0.24 2 I E E 11.55 21.97 14.91 37.10 124.44 -166.16 -119.88 136.93 1.47 98.53 0.00 1.42 0.04 0.00 0.00 0.00 0.00 98.51 0.02 3 F E E 57.56 8.94 24.36 34.33 117.55 -152.40 -106.27 128.88 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 4 V E E 6.31 23.62 16.46 40.50 123.22 -168.27 -117.66 133.78 0.32 99.67 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.00 5 K E E 81.44 7.65 23.48 31.65 115.74 -146.09 -102.36 124.61 1.94 98.04 0.01 1.71 0.10 0.01 0.00 0.00 0.00 98.07 0.10 6 T C C 13.90 18.27 13.50 32.10 124.26 -151.36 -90.48 167.02 67.51 32.40 0.10 66.03 0.89 0.15 0.02 0.06 0.00 31.88 0.98 7 L C T 88.24 10.16 15.03 26.00 91.58 -98.94 -63.75 -22.84 98.01 1.27 0.71 1.23 7.21 89.64 0.03 0.70 0.00 1.04 0.14 8 T C T 84.24 4.25 15.31 20.62 93.74 57.85 -87.22 -0.44 99.09 0.25 0.66 0.81 7.20 91.10 0.02 0.66 0.00 0.16 0.05 9 G C S 48.85 3.48 14.93 19.56 97.84 -101.20 88.73 4.60 98.84 0.77 0.39 15.71 81.44 1.83 0.03 0.30 0.00 0.47 0.21 10 K C C 100.70 5.34 14.80 21.97 118.08 135.17 -79.79 143.49 96.57 3.41 0.02 95.25 1.46 0.09 0.00 0.01 0.00 3.00 0.19 11 T E E 75.09 9.65 14.99 25.99 123.16 -148.35 -114.86 136.52 1.89 98.11 0.00 1.82 0.06 0.00 0.00 0.00 0.00 97.95 0.17 12 I E E 30.08 15.69 15.83 32.42 124.23 -170.58 -122.99 136.22 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 13 T E E 71.43 8.82 20.39 30.16 121.23 -153.44 -111.29 133.00 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.01 14 L E E 18.61 20.09 15.20 35.34 126.62 -174.29 -126.56 138.83 2.79 97.21 0.00 2.76 0.07 0.01 0.00 0.00 0.00 97.12 0.05 15 E E E 114.50 4.97 24.26 30.09 115.03 -141.49 -96.68 126.46 12.24 87.75 0.01 11.70 0.44 0.03 0.00 0.00 0.00 87.72 0.11 16 V E E 10.69 23.43 12.36 35.50 131.66 -174.05 -130.91 150.02 46.71 53.28 0.02 46.95 0.88 0.03 0.00 0.01 0.00 48.84 3.29 17 E C C 99.02 3.89 24.56 27.89 116.66 -124.11 -84.10 143.30 98.87 1.13 0.01 98.97 0.22 0.02 0.00 0.00 0.00 0.68 0.11 18 P C T 46.95 17.98 13.21 30.75 91.02 -114.98 -60.54 -25.27 99.69 0.11 0.20 0.38 2.05 97.34 0.01 0.15 0.00 0.06 0.02 19 S C T 82.28 2.34 20.90 23.32 92.50 58.08 -89.36 -3.24 99.77 0.07 0.17 0.39 1.91 97.50 0.01 0.14 0.00 0.04 0.01 20 D C C 29.96 14.42 14.01 29.75 117.01 116.65 -70.37 144.18 98.63 1.29 0.07 71.37 27.37 0.17 0.02 0.05 0.00 0.65 0.36 21 T E B 46.04 6.86 24.06 31.29 124.11 -130.46 -89.48 161.62 17.96 81.95 0.09 13.91 0.36 0.01 0.07 0.00 0.00 3.45 82.20 22 I H H 12.59 23.84 14.42 38.58 90.53 -110.05 -58.04 -39.41 1.75 0.02 98.24 0.23 0.20 1.22 97.87 0.46 0.01 0.01 0.00 23 E H H 112.95 4.77 22.39 28.02 91.10 55.03 -62.74 -40.45 0.73 0.00 99.26 0.09 0.04 0.51 99.02 0.34 0.00 0.00 0.00 24 N H H 81.51 4.56 23.63 28.19 92.07 49.08 -66.16 -39.65 0.44 0.01 99.56 0.09 0.04 0.28 99.19 0.40 0.00 0.00 0.00 25 V H H 4.16 24.20 16.87 41.28 91.61 49.96 -64.59 -43.33 0.38 0.00 99.62 0.08 0.03 0.21 99.46 0.22 0.00 0.00 0.00 26 K H H 64.28 16.62 20.18 35.57 91.35 52.24 -62.04 -42.19 0.55 0.00 99.45 0.08 0.03 0.34 99.38 0.16 0.00 0.00 0.00 27 A H H 54.79 2.66 23.55 25.13 91.44 51.08 -63.46 -41.56 1.54 0.01 98.45 0.14 0.09 1.20 98.08 0.48 0.00 0.00 0.00 28 C H H 37.27 8.59 20.33 30.17 91.92 49.80 -65.45 -41.54 4.25 0.02 95.73 0.36 0.26 3.47 95.06 0.82 0.01 0.01 0.01 29 I H H 8.50 22.11 13.77 35.94 92.24 49.41 -66.12 -40.65 7.76 0.13 92.11 1.29 0.95 5.46 90.75 1.42 0.03 0.06 0.05 30 Q H H 88.25 9.13 16.47 26.18 92.84 55.31 -65.56 -36.55 21.09 0.38 78.53 4.69 2.24 14.00 76.70 1.97 0.05 0.19 0.17 31 D H H 115.46 1.40 17.35 18.04 93.87 52.69 -73.66 -22.46 43.20 0.35 56.45 6.35 4.32 31.49 55.11 2.36 0.04 0.16 0.17 32 K C H 108.05 8.16 12.99 22.07 99.77 60.20 -83.68 -7.54 60.01 0.91 39.07 11.04 17.78 30.87 36.54 2.78 0.08 0.30 0.60 33 E C T 118.81 6.01 14.35 21.32 102.28 20.49 -88.19 7.87 76.68 1.00 22.32 10.24 19.13 46.15 20.09 3.21 0.05 0.38 0.75 34 G C T 56.53 2.55 17.39 20.21 98.14 -99.84 79.70 9.92 99.15 0.22 0.63 34.46 18.17 46.60 0.16 0.40 0.00 0.11 0.10 35 I C C 26.64 17.91 9.42 27.21 115.50 140.02 -91.34 131.06 99.03 0.92 0.04 80.92 17.85 0.11 0.02 0.02 0.00 0.21 0.87 36 P C C 59.22 4.03 20.09 24.55 112.89 -111.95 -66.13 143.05 99.93 0.05 0.02 99.66 0.26 0.03 0.00 0.00 0.00 0.02 0.02 37 P H G 66.58 14.13 12.23 26.21 91.96 -118.23 -58.26 -33.42 10.92 0.09 89.00 1.24 0.92 6.38 0.49 90.90 0.00 0.06 0.01 38 D H G 114.52 2.13 18.46 21.00 90.93 60.77 -71.72 -12.29 10.85 0.12 89.03 0.63 0.84 7.50 0.45 90.49 0.00 0.08 0.00 39 Q H G 79.15 9.42 17.36 27.66 97.18 56.43 -96.95 0.06 11.07 0.42 88.51 2.12 1.56 5.40 0.49 90.08 0.00 0.33 0.02 40 Q C C 28.21 20.66 14.43 34.57 119.47 94.69 -95.82 136.24 54.98 44.13 0.89 47.21 7.75 0.54 0.26 0.64 0.00 41.96 1.64 41 R E E 91.36 9.64 25.84 35.79 130.40 172.08 -130.49 142.52 9.06 90.84 0.10 9.20 0.30 0.04 0.04 0.04 0.00 89.49 0.87 42 L E E 6.26 24.66 18.08 43.24 116.25 -140.75 -99.87 129.11 2.73 97.24 0.03 2.30 0.26 0.02 0.01 0.01 0.00 97.35 0.05 43 I E E 31.64 11.89 23.85 36.81 124.00 -167.35 -118.00 136.28 0.98 99.00 0.03 0.80 0.11 0.02 0.01 0.01 0.00 99.01 0.05 44 F E E 27.49 19.63 15.26 34.64 120.55 -172.70 -126.34 124.14 1.80 98.13 0.07 1.19 0.46 0.17 0.02 0.04 0.00 97.61 0.51 45 A C T 58.60 10.02 16.00 26.99 93.52 -18.82 53.71 42.93 99.10 0.61 0.29 0.42 2.64 96.27 0.02 0.18 0.00 0.43 0.04 46 G C T 59.94 2.23 16.40 19.05 95.38 -46.47 81.29 2.52 99.70 0.14 0.16 0.51 3.23 96.01 0.01 0.13 0.00 0.10 0.01 47 K E E 118.40 3.78 16.14 21.71 124.03 105.43 -110.94 141.26 4.02 95.94 0.04 2.38 1.44 0.22 0.01 0.02 0.00 94.87 1.06 48 Q E E 112.12 6.19 16.91 24.77 114.47 -119.40 -78.59 133.69 5.60 94.38 0.03 4.91 0.47 0.05 0.01 0.01 0.00 93.49 1.06 49 L C C 18.37 22.19 9.15 30.35 115.96 -124.15 -82.22 137.00 78.92 21.02 0.06 77.59 1.08 0.12 0.01 0.04 0.00 20.52 0.65 50 E C C 127.18 2.59 20.81 23.19 118.12 -139.34 -95.09 142.06 98.62 1.25 0.13 97.18 1.27 0.37 0.02 0.07 0.00 0.67 0.41 51 D C T 99.19 7.42 13.98 22.77 107.95 -88.66 -61.47 130.94 99.19 0.30 0.52 1.32 4.27 93.66 0.08 0.40 0.00 0.15 0.12 52 G C T 52.23 3.56 17.79 22.06 96.27 20.07 86.80 -2.43 99.49 0.15 0.36 2.07 3.84 93.58 0.04 0.35 0.00 0.10 0.03 53 R C C 83.37 9.62 15.31 26.39 119.63 127.15 -79.41 147.14 95.82 4.05 0.12 76.39 19.48 0.32 0.03 0.11 0.00 2.48 1.20 54 T E B 37.82 8.83 20.85 30.76 122.75 -129.87 -89.20 158.07 16.66 83.24 0.10 12.28 0.54 0.03 0.07 0.01 0.00 6.97 80.10 55 L H G 10.11 24.48 12.85 37.62 91.18 -111.51 -59.56 -35.85 34.42 0.96 64.63 2.69 3.85 27.82 6.37 58.32 0.01 0.62 0.32 56 S H G 65.53 7.02 18.28 26.32 91.29 60.45 -64.84 -32.24 26.61 0.14 73.25 0.85 1.54 23.25 7.49 66.74 0.00 0.09 0.04 57 D H G 101.59 2.68 19.24 22.06 91.83 55.42 -72.13 -24.21 23.44 0.13 76.43 1.03 1.88 19.84 9.27 67.86 0.00 0.07 0.05 58 Y C G 49.29 17.19 12.77 29.63 98.80 51.47 -99.26 5.75 55.01 0.61 44.38 5.00 14.70 34.49 9.29 35.67 0.03 0.29 0.53 59 N C T 116.91 2.54 22.64 25.09 94.87 -122.01 59.04 42.51 95.77 1.69 2.54 25.59 6.33 64.31 0.66 1.59 0.00 0.96 0.56 60 I C C 12.78 24.67 8.78 32.46 114.83 173.46 -82.63 132.28 92.24 7.31 0.45 90.10 1.88 0.30 0.22 0.14 0.00 2.78 4.58 61 Q C C 100.34 3.41 22.43 25.69 127.11 -161.64 -110.21 160.43 95.74 3.66 0.59 94.18 1.28 0.58 0.19 0.24 0.00 1.85 1.68 62 K C T 128.15 7.49 15.97 24.47 100.59 -91.83 -62.55 -16.19 93.07 3.31 3.61 2.41 12.58 78.53 0.36 3.04 0.01 2.63 0.43 63 E C T 133.84 3.40 19.35 23.12 96.40 31.01 -77.00 6.48 92.95 3.53 3.53 3.86 9.96 78.68 0.25 3.42 0.00 3.65 0.19 64 S C C 20.04 15.81 13.86 30.35 117.54 132.15 -76.20 148.15 91.19 7.64 1.17 76.08 13.45 1.20 0.13 1.21 0.00 7.42 0.50 65 T E E 52.85 9.65 23.41 33.57 121.13 -139.70 -111.54 135.05 17.49 82.38 0.13 16.72 0.86 0.13 0.04 0.08 0.00 81.33 0.84 66 L E E 7.18 24.75 17.02 42.07 123.49 -167.07 -117.17 134.95 2.23 97.74 0.04 2.19 0.11 0.02 0.01 0.02 0.00 97.54 0.11 67 H E E 60.97 10.52 26.37 37.37 117.63 -154.50 -107.12 127.11 1.21 98.74 0.05 1.18 0.06 0.01 0.01 0.02 0.00 98.68 0.03 68 L E E 8.39 24.26 18.21 42.67 119.97 -163.82 -111.02 129.66 1.25 98.69 0.06 1.24 0.05 0.01 0.01 0.02 0.00 98.63 0.03 69 V E E 38.60 10.37 24.97 36.19 119.91 -165.06 -114.92 127.80 2.36 97.61 0.03 2.30 0.09 0.01 0.01 0.01 0.00 97.48 0.09 70 L E E 23.52 20.62 16.74 37.09 121.10 -161.53 -109.48 132.89 8.45 91.46 0.09 7.90 0.43 0.06 0.03 0.04 0.00 91.28 0.25 71 R E E 108.64 7.59 20.90 29.19 118.14 -156.56 -104.27 130.18 23.81 75.85 0.33 21.19 1.85 0.40 0.09 0.19 0.00 75.83 0.46 72 L C E 64.93 14.27 12.24 26.52 116.40 -147.48 -91.05 132.36 49.60 49.42 0.97 41.71 5.28 1.79 0.27 0.69 0.00 48.80 1.46 73 R C C 147.34 4.34 13.19 19.17 116.29 -152.49 -97.88 134.92 68.01 30.61 1.38 48.38 11.53 7.94 0.32 1.17 0.00 28.39 2.27 74 G C C 56.83 2.52 12.45 16.25 114.15 -9.33 85.09 163.90 89.83 9.52 0.64 71.48 7.26 10.59 0.12 0.51 0.00 9.08 0.96 75 G C C 52.10 3.29 13.92 18.55 112.22 10.10 86.69 -61.74 99.78 0.22 0.01 99.47 0.25 0.10 0.00 0.00 0.00 0.16 0.01