# 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 106.03 7.40 11.79 20.51 119.40 -165.93 -101.78 138.22 99.80 0.20 0.00 99.83 0.04 0.01 0.00 0.00 0.00 0.11 0.01 1 S C C 75.37 3.51 12.21 17.20 118.72 -149.40 -101.79 138.73 74.17 24.88 0.95 71.03 1.16 1.94 0.32 0.48 0.00 22.43 2.65 2 F C C 118.15 8.42 9.37 19.00 120.05 -151.85 -107.27 135.80 54.12 44.57 1.30 39.42 11.44 3.24 0.47 1.07 0.01 36.20 8.14 3 E C C 109.48 4.66 14.44 20.65 121.44 -163.55 -114.20 136.18 60.19 39.11 0.70 50.05 8.76 1.08 0.27 0.52 0.00 34.92 4.41 4 Q C C 102.95 8.01 14.19 23.48 114.22 -115.38 -74.74 137.29 73.55 25.64 0.81 65.69 5.65 1.15 0.24 0.54 0.00 24.76 1.97 5 R C C 91.44 11.63 13.87 26.15 122.33 -159.27 -108.07 141.27 78.12 21.09 0.79 63.64 12.44 1.46 0.27 0.57 0.00 18.16 3.47 6 I E C 97.26 5.52 18.02 24.44 119.27 -130.00 -101.20 138.37 48.99 50.14 0.87 41.46 4.28 0.51 0.64 0.31 0.00 20.61 32.20 7 C C C 25.22 15.22 9.64 25.42 111.94 -125.22 -82.25 125.35 72.38 26.70 0.92 65.91 4.22 0.70 0.57 0.41 0.00 14.62 13.57 8 T C T 88.85 4.05 15.24 20.34 95.93 -159.43 -74.68 -26.41 92.20 3.72 4.09 14.17 18.47 59.60 0.97 2.94 0.01 2.32 1.52 9 F C T 142.33 3.94 13.62 18.24 97.09 44.82 -77.15 -34.74 97.20 0.59 2.22 1.36 10.38 85.67 0.30 1.69 0.00 0.36 0.24 10 T C T 76.99 4.07 12.88 18.19 100.35 26.25 -100.41 -11.63 97.89 0.52 1.59 2.14 9.91 85.87 0.17 1.38 0.00 0.32 0.21 11 G C C 47.65 5.36 12.18 19.28 95.88 -123.25 75.76 10.58 96.10 3.07 0.83 48.60 33.74 13.80 0.14 0.83 0.00 1.70 1.18 12 R C C 130.11 3.33 15.54 20.36 125.29 127.05 -109.89 146.93 88.88 10.96 0.16 65.32 22.94 1.14 0.04 0.16 0.00 8.31 2.09 13 P E B 79.38 8.08 14.44 23.78 113.00 -103.11 -68.60 139.76 37.94 61.80 0.26 31.65 4.35 0.29 0.18 0.11 0.00 25.78 37.64 14 I C C 41.95 14.32 11.14 26.15 118.24 -148.67 -105.25 135.36 65.79 34.06 0.14 60.37 4.56 0.24 0.07 0.09 0.00 27.09 7.59 15 P C C 71.46 4.28 17.46 22.28 117.47 -118.26 -74.60 155.24 81.55 17.60 0.86 73.32 5.87 1.55 0.28 0.62 0.00 14.37 3.99 16 H C T 118.38 8.18 10.88 20.18 95.74 -108.76 -62.58 -26.85 76.13 3.41 20.46 22.05 19.19 35.97 3.38 16.13 0.02 1.84 1.42 17 T C T 114.66 1.09 14.99 15.35 95.52 56.79 -82.29 -5.01 76.75 2.39 20.86 16.51 20.10 40.82 3.43 16.69 0.02 1.25 1.18 18 D C T 75.29 7.25 12.38 20.89 104.59 77.55 -90.11 27.28 73.56 3.13 23.31 22.18 26.30 26.49 3.91 17.89 0.03 1.46 1.75 19 N C C 84.96 8.75 14.06 23.59 101.90 -122.09 -52.74 33.71 78.04 6.06 15.90 38.42 17.51 22.88 2.87 12.60 0.01 3.31 2.40 20 A C S 45.74 10.14 14.79 25.91 102.68 138.39 -79.75 -1.21 79.98 8.89 11.14 31.08 33.52 16.55 1.33 9.42 0.01 6.65 1.41 21 S C E 52.20 8.53 17.84 27.12 114.64 26.34 -94.20 131.79 48.60 43.55 7.86 32.11 9.83 8.15 1.04 6.47 0.01 41.30 1.09 22 V E E 41.24 15.17 14.52 30.11 124.82 -167.92 -118.74 138.89 11.83 87.92 0.25 10.32 1.28 0.18 0.07 0.14 0.00 87.51 0.49 23 Q E E 97.67 7.08 19.34 27.51 120.21 -148.61 -108.67 132.94 2.19 97.78 0.02 2.08 0.11 0.01 0.01 0.01 0.00 97.55 0.23 24 L E E 43.47 16.40 13.98 30.52 123.41 -169.31 -118.20 135.77 4.46 95.51 0.02 4.19 0.23 0.02 0.00 0.01 0.00 95.38 0.16 25 T E E 65.34 7.12 19.32 27.44 115.92 -146.69 -103.15 127.11 10.05 89.91 0.04 8.78 0.90 0.11 0.01 0.04 0.00 89.80 0.36 26 F E E 65.98 14.32 14.47 29.10 111.69 -164.63 -105.01 105.66 17.03 82.83 0.14 13.18 3.60 0.40 0.03 0.12 0.00 81.94 0.73 27 V E E 48.49 10.17 15.41 27.00 126.54 -9.47 -119.54 148.31 22.33 77.57 0.10 18.40 3.46 0.24 0.02 0.07 0.00 77.31 0.49 28 E E E 108.90 5.30 17.30 23.70 115.41 -125.32 -91.81 131.59 14.55 85.39 0.06 11.94 2.14 0.17 0.01 0.04 0.00 85.35 0.35 29 L E E 60.94 12.22 9.13 21.96 122.53 -155.38 -109.44 142.36 5.29 94.69 0.02 5.04 0.26 0.02 0.02 0.01 0.00 70.60 24.06 30 D C C 64.98 3.44 12.39 17.33 123.91 -127.77 -81.79 174.39 97.80 2.19 0.02 98.16 0.21 0.03 0.00 0.01 0.00 1.36 0.24 31 S C T 104.59 0.69 10.01 10.85 89.76 -88.15 -63.24 -20.88 99.67 0.15 0.17 0.24 2.66 96.82 0.01 0.14 0.00 0.11 0.02 32 D C T 123.09 0.55 11.85 10.99 92.58 54.25 -88.91 1.45 99.81 0.04 0.14 0.14 2.76 96.94 0.00 0.12 0.00 0.02 0.01 33 G C S 36.24 7.83 9.78 19.12 95.99 -106.38 83.90 7.48 99.48 0.33 0.20 14.30 84.58 0.72 0.02 0.12 0.00 0.14 0.11 34 R C C 131.12 2.56 14.79 18.48 118.98 137.39 -85.30 143.60 92.60 7.34 0.07 88.91 4.01 0.18 0.02 0.04 0.00 3.58 3.26 35 A E E 49.37 11.94 9.84 22.35 112.82 -111.19 -73.42 135.84 3.93 96.03 0.03 3.58 0.22 0.02 0.04 0.01 0.00 49.40 46.73 36 T C C 64.87 6.21 13.19 21.00 119.67 -165.45 -108.38 159.70 54.60 45.27 0.13 48.32 3.84 0.51 0.02 0.13 0.00 46.61 0.57 37 D C E 121.36 2.22 14.18 17.21 97.07 -103.40 -66.89 -3.09 59.99 39.76 0.26 21.24 34.09 3.41 0.02 0.26 0.00 40.51 0.46 38 K C E 121.42 3.70 15.02 19.96 119.07 97.36 -102.11 134.81 53.96 45.72 0.32 36.34 14.20 2.28 0.03 0.35 0.00 46.37 0.44 39 V E E 65.04 13.65 11.20 24.84 122.18 -161.60 -113.19 136.09 29.56 70.39 0.05 25.56 2.77 0.14 0.01 0.04 0.00 71.16 0.33 40 L E E 66.23 8.95 17.37 27.59 123.06 -165.87 -117.28 135.69 3.34 96.66 0.00 3.22 0.10 0.00 0.00 0.00 0.00 96.58 0.10 41 I E E 77.91 11.78 17.47 29.69 119.73 -150.23 -106.32 131.50 0.74 99.26 0.00 0.73 0.01 0.00 0.00 0.00 0.00 99.23 0.03 42 Y E E 43.28 15.08 17.92 33.67 130.33 -172.36 -129.61 148.48 1.05 98.95 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.96 0.03 43 N E E 49.89 12.62 22.27 35.17 118.22 -132.72 -100.46 132.16 5.43 94.56 0.01 4.59 0.41 0.02 0.00 0.00 0.00 94.91 0.07 44 V E E 14.09 19.95 18.77 38.79 122.91 -166.55 -116.96 136.90 19.05 80.87 0.07 17.87 0.73 0.06 0.03 0.04 0.00 79.54 1.73 45 C C C 24.05 12.96 19.84 33.66 124.16 -144.19 -93.75 158.36 78.38 20.88 0.74 75.77 2.56 0.26 0.57 0.17 0.00 19.28 1.40 46 G H H 29.13 8.69 19.30 28.78 94.16 -97.55 -50.49 -45.29 7.04 0.06 92.90 0.98 1.52 4.61 91.01 1.79 0.03 0.03 0.02 47 K H H 107.30 3.59 20.92 24.46 92.11 50.19 -64.76 -39.50 2.71 0.04 97.25 0.38 0.34 1.95 95.56 1.72 0.02 0.02 0.01 48 I H H 21.98 15.02 13.94 29.91 92.30 50.46 -65.62 -41.57 1.78 0.06 98.16 0.42 0.25 1.11 95.82 2.34 0.01 0.04 0.01 49 R H H 86.81 12.81 13.69 26.70 91.48 52.02 -63.36 -41.02 2.92 0.05 97.02 0.70 0.32 1.83 95.12 1.97 0.01 0.03 0.01 50 K H H 156.38 1.28 16.36 17.27 91.26 53.11 -66.27 -31.04 14.58 0.06 85.36 0.95 0.93 12.52 83.88 1.63 0.03 0.03 0.03 51 D C T 97.30 2.60 14.47 17.71 93.69 52.15 -85.53 -5.78 53.95 0.11 45.94 1.35 3.18 47.87 46.14 1.32 0.03 0.03 0.08 52 G C T 49.07 4.37 14.10 19.97 96.56 -111.17 80.50 8.33 97.84 0.38 1.78 10.53 24.59 62.92 1.14 0.48 0.00 0.18 0.17 53 T C C 64.39 7.16 15.16 23.65 104.09 121.34 -96.42 38.85 96.00 0.87 3.13 81.84 9.43 4.70 2.36 0.74 0.00 0.34 0.58 54 I C C 51.95 13.15 13.71 27.25 100.69 115.44 -73.50 -37.01 71.98 0.54 27.48 62.40 5.09 3.05 27.69 1.29 0.00 0.18 0.30 55 D H H 79.76 7.08 17.24 24.90 93.59 54.17 -64.95 -41.31 14.53 0.12 85.35 7.34 2.75 4.74 82.92 2.15 0.01 0.04 0.06 56 E H H 121.96 1.84 19.68 20.38 92.67 48.54 -66.75 -39.94 5.17 0.05 94.77 1.87 0.72 2.55 92.41 2.40 0.01 0.03 0.02 57 I H H 58.67 7.76 16.48 25.67 92.77 50.10 -65.93 -41.85 2.26 0.03 97.71 0.84 0.28 1.10 95.88 1.86 0.00 0.02 0.01 58 L H H 36.45 14.01 14.39 29.04 92.54 49.83 -64.67 -42.47 1.34 0.03 98.63 0.49 0.18 0.67 97.89 0.75 0.00 0.01 0.01 59 T H H 70.58 4.06 17.76 22.41 91.82 49.94 -64.31 -41.51 1.21 0.02 98.77 0.36 0.13 0.64 98.41 0.44 0.00 0.01 0.00 60 N H H 88.58 2.11 17.67 19.23 92.32 49.88 -64.96 -40.53 2.11 0.02 97.87 0.52 0.19 1.26 97.28 0.72 0.00 0.01 0.00 61 T H H 50.87 7.68 14.14 23.39 92.50 50.44 -65.88 -40.21 3.66 0.03 96.30 0.66 0.31 2.48 95.42 1.10 0.01 0.02 0.01 62 L H H 71.88 7.87 12.19 21.47 93.05 51.12 -68.00 -34.15 9.20 0.10 90.70 1.47 0.88 6.52 89.70 1.32 0.02 0.05 0.04 63 A H H 79.92 1.89 12.20 14.79 94.95 55.83 -73.53 -24.91 33.91 0.56 65.53 6.63 3.90 23.05 64.39 1.44 0.04 0.23 0.31 64 Q C C 128.27 2.18 9.64 13.14 100.27 67.86 -81.36 -1.16 66.77 0.87 32.37 36.38 2.32 24.95 34.36 1.16 0.00 0.33 0.51 65 N C C 114.75 3.46 11.03 16.09 105.44 -144.72 -78.86 73.10 99.95 0.03 0.03 99.82 0.07 0.08 0.02 0.00 0.00 0.01 0.00