# 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 S C C 62.80 6.80 16.35 24.10 118.31 -143.15 -84.79 147.95 99.89 0.10 0.01 99.71 0.15 0.07 0.00 0.00 0.00 0.06 0.01 1 R C C 116.41 9.94 14.39 24.97 114.45 -146.25 -99.50 126.83 86.63 13.10 0.27 80.72 4.93 1.06 0.08 0.17 0.00 10.60 2.43 2 V E B 73.17 7.28 17.90 26.27 121.78 -146.94 -113.09 136.38 23.94 75.85 0.21 19.07 2.09 0.08 0.18 0.03 0.00 12.35 66.20 3 C C C 12.55 19.66 10.75 30.73 110.61 -113.74 -70.84 131.18 90.55 9.40 0.06 91.57 0.64 0.09 0.02 0.02 0.00 4.88 2.77 4 Q C T 115.40 4.34 19.23 24.69 92.67 -144.63 -69.41 -27.29 99.66 0.18 0.16 0.44 4.82 94.46 0.01 0.10 0.00 0.11 0.06 5 V C T 64.60 10.78 16.67 27.77 100.84 42.57 -85.68 -41.32 99.82 0.07 0.11 0.07 2.20 97.62 0.00 0.06 0.00 0.03 0.02 6 T C T 52.76 9.41 15.63 26.19 101.56 20.04 -105.62 -14.13 99.78 0.07 0.15 0.26 3.23 96.36 0.01 0.08 0.00 0.03 0.02 7 G C C 42.74 5.22 16.82 23.32 95.66 -120.17 81.01 7.02 98.07 1.79 0.13 77.97 16.71 3.38 0.04 0.10 0.00 0.87 0.93 8 K C C 95.23 7.54 14.40 23.58 119.51 132.85 -83.78 147.12 84.74 15.13 0.13 74.40 9.04 0.25 0.06 0.07 0.00 4.45 11.72 9 G C C 34.41 6.90 16.54 24.53 131.44 -126.88 -116.42 166.50 77.88 22.02 0.10 67.17 10.85 0.27 0.04 0.07 0.00 14.46 7.14 10 P C C 70.97 10.30 13.77 24.84 115.26 -80.85 -69.67 147.05 81.12 18.82 0.06 72.82 7.39 0.29 0.01 0.05 0.00 18.55 0.89 11 V E E 79.56 7.99 14.47 23.90 121.98 -153.97 -115.24 137.96 20.28 79.64 0.09 18.24 1.57 0.14 0.04 0.05 0.00 75.49 4.45 12 T E E 88.67 5.63 13.06 20.96 124.11 -158.25 -117.31 140.98 12.14 87.79 0.07 11.18 0.85 0.10 0.03 0.04 0.00 86.37 1.43 13 G E E 33.63 6.41 12.33 20.55 136.14 167.16 -149.92 173.25 19.49 80.34 0.18 16.43 2.68 0.38 0.06 0.11 0.00 79.43 0.92 14 N E E 106.77 3.67 12.72 18.27 122.03 -109.81 -115.55 141.30 26.34 73.29 0.37 21.62 4.11 0.72 0.12 0.24 0.00 72.09 1.10 15 N E E 89.39 6.69 10.31 18.69 118.10 -160.23 -110.97 133.82 36.42 62.65 0.93 28.74 6.71 1.65 0.30 0.59 0.00 60.66 1.34 16 I E E 108.43 3.45 10.38 15.73 117.67 -146.68 -106.36 131.87 40.54 57.61 1.85 33.05 6.14 1.81 0.95 1.05 0.01 53.57 3.43 17 S C C 52.15 5.49 7.94 15.33 121.87 -157.72 -100.08 161.39 59.18 37.87 2.95 49.51 5.87 2.70 1.31 1.67 0.00 35.65 3.29 18 H C T 166.91 0.96 8.94 10.39 95.32 -104.01 -68.04 -24.07 77.91 7.89 14.20 20.88 17.91 40.24 2.60 10.74 0.02 6.40 1.21 19 A C T 87.47 1.20 8.62 10.21 99.45 53.77 -86.98 3.36 85.69 1.93 12.38 22.20 17.31 46.45 2.25 9.91 0.00 1.30 0.57 20 H C C 151.92 1.86 9.00 12.23 100.29 -101.10 56.64 37.24 79.78 8.42 11.80 31.30 22.74 27.17 2.05 9.23 0.01 5.81 1.68 21 N C C 100.77 2.65 8.93 13.36 116.25 147.61 -86.24 137.29 72.82 24.95 2.22 44.90 11.91 15.86 0.49 1.72 0.00 23.37 1.75 22 K E E 143.77 3.31 9.21 14.61 116.55 -144.87 -97.45 132.48 45.60 53.27 1.13 36.09 7.15 2.53 0.38 0.86 0.00 49.61 3.36 23 T E E 73.79 4.33 10.56 16.82 121.81 -156.11 -114.13 144.04 39.25 60.31 0.43 32.63 4.99 1.04 0.13 0.31 0.00 59.58 1.31 24 R E E 153.57 4.11 11.34 17.56 116.16 -129.72 -93.11 132.51 33.13 66.72 0.15 28.46 2.96 0.37 0.04 0.10 0.00 67.53 0.54 25 R E E 111.50 7.26 11.96 21.03 126.03 -175.05 -122.02 144.87 17.65 82.30 0.05 15.89 1.07 0.10 0.01 0.03 0.00 82.50 0.40 26 R E E 131.60 6.23 14.10 22.16 119.21 -144.03 -108.02 132.86 5.26 94.72 0.02 4.93 0.30 0.03 0.01 0.01 0.00 94.16 0.57 27 F E E 69.90 11.63 13.26 26.11 122.73 -167.56 -117.47 138.23 8.25 91.73 0.02 7.84 0.40 0.03 0.01 0.01 0.00 88.44 3.27 28 L C C 87.34 6.68 18.35 26.11 114.85 -144.35 -105.27 119.80 71.72 28.24 0.04 67.78 2.71 0.13 0.01 0.04 0.00 28.94 0.40 29 P C C 36.14 15.46 14.59 30.08 115.86 -130.41 -71.40 151.32 83.95 15.71 0.33 56.81 20.78 4.56 0.02 0.43 0.00 17.05 0.35 30 N C C 61.49 9.29 18.63 28.71 108.05 -131.25 -86.02 102.06 59.75 39.82 0.43 42.94 10.95 4.70 0.03 0.57 0.00 39.81 0.99 31 L E E 54.85 13.81 15.06 29.37 118.20 -158.01 -100.28 132.45 16.81 83.17 0.02 15.67 0.92 0.04 0.00 0.01 0.00 82.66 0.69 32 Q E E 57.10 10.54 17.12 28.98 126.64 -171.21 -122.22 143.97 2.82 97.18 0.00 2.50 0.22 0.01 0.00 0.00 0.00 97.20 0.06 33 H E E 101.59 8.57 16.88 26.60 119.86 -139.07 -105.57 133.36 1.23 98.77 0.00 1.08 0.05 0.00 0.00 0.00 0.00 98.86 0.01 34 H E E 45.70 12.69 14.18 28.31 130.33 -175.41 -132.11 148.38 0.77 99.23 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.29 0.01 35 R E E 124.86 6.35 17.20 25.02 118.37 -136.43 -104.85 131.27 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 36 F E E 41.77 13.40 13.40 28.15 130.36 -174.03 -130.98 151.55 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 37 W E E 123.69 5.10 16.03 22.65 114.81 -128.41 -93.91 128.65 0.44 99.56 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.59 0.01 38 V E E 27.63 11.24 9.59 22.91 111.17 -154.83 -100.86 116.47 4.63 95.36 0.01 4.10 0.27 0.03 0.00 0.01 0.00 95.40 0.18 39 E C T 134.19 2.39 11.72 15.62 94.71 -155.89 -65.47 -33.70 85.83 0.42 13.75 0.59 2.70 81.33 0.23 14.82 0.00 0.25 0.08 40 S C T 94.09 0.74 11.62 11.73 93.66 50.17 -70.02 -33.61 85.82 0.15 14.03 0.44 2.24 81.66 0.22 15.30 0.00 0.08 0.05 41 E C T 110.43 3.07 10.15 14.62 99.29 32.07 -101.28 -1.36 86.34 0.09 13.58 0.58 2.30 81.01 0.20 15.84 0.00 0.04 0.03 42 K C T 162.29 1.78 11.70 14.94 94.76 -130.80 55.18 38.85 99.66 0.10 0.24 3.30 2.23 94.19 0.04 0.15 0.00 0.07 0.01 43 R E E 120.34 3.46 13.08 18.35 130.06 120.49 -128.38 153.77 7.15 92.84 0.01 5.88 0.75 0.07 0.00 0.01 0.00 93.12 0.17 44 F E E 114.36 7.86 12.47 21.87 116.44 -119.03 -90.69 135.23 0.57 99.43 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.01 45 V E E 43.10 11.34 14.07 27.08 125.33 -169.34 -121.73 139.56 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 46 R E E 127.47 8.07 17.37 26.82 118.52 -142.11 -103.36 131.51 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 47 L E E 25.99 16.95 16.05 33.51 129.12 -174.41 -127.45 146.73 0.51 99.49 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.55 0.00 48 R E E 102.11 9.87 23.35 33.48 116.53 -133.88 -93.93 130.39 0.41 99.59 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 49 V E E 8.48 22.34 17.25 39.52 133.90 176.50 -133.04 153.87 1.07 98.93 0.00 1.03 0.02 0.00 0.00 0.00 0.00 98.90 0.05 50 S E E 18.10 12.62 20.47 34.24 119.06 -106.79 -72.58 156.71 18.27 81.72 0.01 18.73 0.23 0.01 0.00 0.00 0.00 80.67 0.36 51 A H H 46.91 10.07 20.11 31.08 91.76 -111.23 -59.42 -37.23 2.71 0.01 97.28 0.17 0.25 2.25 96.41 0.90 0.01 0.00 0.00 52 K H H 113.11 3.72 24.86 28.63 91.73 54.23 -63.94 -39.82 1.20 0.00 98.80 0.05 0.06 1.08 98.01 0.79 0.00 0.00 0.00 53 G H H 4.44 19.80 18.06 38.29 91.52 50.64 -64.62 -41.76 0.69 0.00 99.31 0.07 0.04 0.51 98.37 1.01 0.00 0.00 0.00 54 M H H 27.67 18.81 18.84 37.11 91.48 51.71 -63.29 -41.95 0.58 0.00 99.42 0.08 0.03 0.36 99.16 0.37 0.00 0.00 0.00 55 R H H 122.21 3.08 24.29 26.62 91.66 50.64 -63.84 -41.42 2.33 0.01 97.65 0.22 0.12 1.88 97.49 0.28 0.00 0.01 0.00 56 I H H 39.44 8.58 19.34 29.62 91.71 49.68 -64.32 -42.55 2.81 0.05 97.14 0.42 0.26 1.99 96.97 0.31 0.01 0.02 0.01 57 I H H 12.20 21.04 13.38 34.36 91.69 49.77 -64.18 -42.49 2.63 0.06 97.31 0.66 0.39 1.37 97.24 0.29 0.01 0.02 0.02 58 D H H 83.24 7.40 17.13 25.47 92.52 48.63 -66.50 -38.58 4.38 0.04 95.58 0.79 0.43 2.91 95.33 0.50 0.01 0.02 0.01 59 K H H 152.11 1.04 18.18 17.58 96.98 41.55 -77.49 -38.20 7.32 0.03 92.66 0.45 0.63 5.99 92.42 0.46 0.01 0.01 0.01 60 R H H 129.48 4.26 15.76 20.87 100.85 26.09 -105.53 -11.11 13.99 0.12 85.90 1.36 3.26 9.14 85.74 0.38 0.03 0.03 0.06 61 G C C 19.28 6.06 18.78 26.73 125.55 -118.64 90.27 167.35 88.30 0.37 11.34 82.41 2.16 2.43 12.19 0.51 0.00 0.13 0.18 62 I H H 32.12 20.57 13.50 33.53 91.90 -86.25 -59.89 -38.84 2.06 0.01 97.93 0.62 0.28 0.89 97.89 0.31 0.00 0.00 0.00 63 E H H 122.20 3.76 21.18 25.77 91.38 53.47 -62.96 -40.35 0.83 0.00 99.17 0.19 0.07 0.45 99.03 0.26 0.00 0.00 0.00 64 A H H 45.47 4.34 21.15 25.86 91.66 49.70 -64.87 -40.73 0.31 0.00 99.69 0.07 0.02 0.16 99.55 0.20 0.00 0.00 0.00 65 V H H 11.53 18.39 16.90 35.89 91.69 49.78 -64.16 -43.76 0.16 0.00 99.84 0.03 0.01 0.07 99.84 0.04 0.00 0.00 0.00 66 L H H 34.27 14.93 18.84 34.00 91.66 49.34 -63.89 -42.39 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 67 A H H 51.61 2.87 21.70 23.95 91.19 50.40 -63.02 -42.12 0.26 0.00 99.74 0.03 0.01 0.15 99.78 0.04 0.00 0.00 0.00 68 D H H 58.49 5.70 19.17 25.88 91.79 49.48 -65.21 -40.66 0.80 0.00 99.20 0.10 0.05 0.51 99.27 0.08 0.00 0.00 0.00 69 L H H 18.92 15.08 12.89 29.14 91.75 50.95 -64.12 -41.78 1.49 0.02 98.49 0.30 0.13 0.89 98.36 0.31 0.00 0.01 0.00 70 R H H 135.14 4.22 15.13 20.68 91.62 50.85 -63.79 -40.09 2.66 0.02 97.32 0.44 0.19 1.78 96.89 0.68 0.00 0.01 0.00 71 A H H 83.59 1.49 13.98 15.56 91.19 53.05 -66.32 -29.49 10.71 0.05 89.25 0.64 0.55 9.28 88.75 0.73 0.02 0.02 0.02 72 R C T 138.76 3.62 11.80 16.87 93.84 50.22 -88.52 0.11 73.65 0.07 26.28 0.91 1.90 68.77 27.40 0.93 0.00 0.03 0.05 73 G C T 61.38 1.04 13.42 14.24 96.92 -106.89 80.71 12.46 97.76 0.09 2.15 4.09 3.99 89.93 1.59 0.33 0.00 0.04 0.03 74 E C C 87.73 7.82 8.55 17.99 116.41 140.50 -87.91 139.41 97.54 0.89 1.56 86.51 7.84 3.36 0.76 0.64 0.00 0.48 0.42 75 K C C 154.71 1.95 13.86 16.87 113.11 -132.91 -91.06 127.10 95.95 2.63 1.41 90.40 2.94 2.91 0.63 0.52 0.00 1.51 1.09 76 F C C 89.16 13.13 11.16 24.01 116.28 -154.47 -102.22 133.72 99.84 0.15 0.01 99.80 0.08 0.02 0.00 0.00 0.00 0.08 0.01