# 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 122.33 4.67 12.06 18.36 119.33 -156.09 -103.63 136.60 99.92 0.08 0.00 99.90 0.04 0.01 0.00 0.00 0.00 0.04 0.00 1 L C C 95.70 6.48 10.21 18.41 116.22 -146.18 -97.09 129.38 68.38 31.58 0.04 68.60 0.38 0.08 0.01 0.02 0.00 30.23 0.67 2 I E E 113.86 3.94 12.32 18.21 118.39 -157.36 -109.08 128.77 25.84 74.13 0.03 24.35 0.97 0.07 0.01 0.02 0.00 72.84 1.73 3 I E E 63.53 10.80 10.91 23.04 117.77 -166.03 -113.79 123.56 17.27 82.72 0.01 17.06 0.39 0.01 0.00 0.00 0.00 82.15 0.39 4 P E E 86.97 3.24 16.91 20.72 114.22 -131.51 -73.22 138.24 24.59 75.39 0.02 24.84 0.38 0.03 0.01 0.01 0.00 74.14 0.60 5 I C C 65.56 13.32 7.75 21.02 117.57 -142.97 -96.98 133.85 83.54 16.40 0.06 84.08 0.85 0.07 0.02 0.03 0.00 13.45 1.51 6 K C C 133.64 2.52 12.22 15.95 118.45 -136.44 -89.54 152.89 97.95 1.88 0.17 95.85 1.98 0.30 0.04 0.10 0.00 0.92 0.80 7 D C T 133.80 0.73 10.96 11.72 107.54 -73.80 -60.06 126.74 99.50 0.12 0.37 0.42 4.57 94.63 0.02 0.26 0.00 0.06 0.04 8 G C T 68.04 0.36 12.04 10.41 96.11 14.60 84.28 -1.20 99.58 0.07 0.35 0.80 3.81 95.03 0.02 0.28 0.00 0.04 0.01 9 E C C 76.01 8.73 7.19 17.16 118.08 128.61 -84.54 144.37 98.48 1.19 0.33 74.87 22.94 0.40 0.14 0.14 0.00 0.32 1.19 10 N C C 93.92 2.38 14.75 17.39 114.23 -126.18 -84.16 143.25 98.39 1.29 0.32 97.40 0.86 0.17 0.22 0.03 0.00 0.25 1.06 11 I H H 88.04 9.09 10.70 20.92 93.24 -126.93 -61.49 -37.13 1.78 0.00 98.21 0.39 0.21 0.93 98.16 0.31 0.00 0.00 0.00 12 D H H 100.90 1.79 15.77 17.39 92.01 53.30 -64.67 -40.95 0.74 0.00 99.26 0.09 0.05 0.47 99.13 0.27 0.00 0.00 0.00 13 R H H 127.63 2.00 16.93 18.43 92.01 48.06 -65.55 -40.53 0.22 0.00 99.78 0.03 0.01 0.12 99.62 0.22 0.00 0.00 0.00 14 A H H 19.61 10.48 12.74 25.34 91.64 51.15 -63.24 -42.52 0.16 0.00 99.84 0.02 0.01 0.08 99.81 0.08 0.00 0.00 0.00 15 L H H 66.32 7.49 15.74 24.31 91.66 50.39 -64.02 -41.19 0.16 0.00 99.84 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 16 K H H 118.62 1.70 18.90 19.35 91.78 50.71 -64.60 -41.51 0.15 0.00 99.85 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 17 R H H 114.63 3.41 17.93 21.69 91.82 49.41 -64.85 -41.43 0.14 0.00 99.86 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 18 Y H H 64.16 11.16 14.64 26.86 92.02 49.63 -64.55 -41.45 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 19 K H H 103.85 5.41 17.06 23.29 91.70 51.30 -63.17 -41.05 0.16 0.00 99.84 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 20 R H H 136.48 1.52 18.60 18.62 92.15 50.47 -64.83 -41.51 0.26 0.00 99.74 0.02 0.01 0.15 99.78 0.03 0.00 0.00 0.00 21 K H H 94.27 4.67 16.65 22.27 92.11 49.41 -64.90 -41.08 0.53 0.00 99.47 0.05 0.04 0.34 99.52 0.06 0.00 0.00 0.00 22 F H H 59.16 10.32 12.41 24.05 92.73 48.94 -65.98 -40.63 1.26 0.01 98.74 0.16 0.11 0.80 98.73 0.19 0.00 0.00 0.00 23 D H H 92.25 3.01 15.06 18.94 92.46 51.03 -65.68 -38.05 3.95 0.02 96.04 0.46 0.30 2.88 95.80 0.53 0.02 0.01 0.01 24 K H H 151.73 1.11 15.58 15.78 93.05 50.87 -69.45 -31.01 11.19 0.01 88.80 0.37 0.60 10.01 88.42 0.57 0.01 0.00 0.01 25 T H H 68.67 5.30 12.64 19.32 97.49 47.97 -86.91 -14.77 37.73 0.08 62.18 1.71 6.14 28.18 63.08 0.78 0.03 0.02 0.07 26 G C S 37.69 4.64 14.86 20.90 98.58 -118.08 76.01 3.66 77.81 0.31 21.88 24.78 29.97 20.28 23.39 1.25 0.00 0.08 0.24 27 T H H 51.15 6.61 13.81 22.23 94.37 113.67 -66.92 -38.42 6.70 0.04 93.26 3.33 1.05 2.07 92.73 0.79 0.00 0.02 0.01 28 V H H 60.11 7.91 13.86 23.19 92.44 52.76 -64.55 -41.41 2.01 0.02 97.97 0.69 0.26 0.94 97.29 0.80 0.00 0.01 0.00 29 R H H 140.07 2.06 16.47 18.49 92.48 50.77 -65.19 -40.56 0.91 0.01 99.08 0.26 0.09 0.44 98.44 0.75 0.00 0.00 0.00 30 Q H H 100.94 2.43 15.71 18.29 92.62 50.34 -65.99 -40.32 0.98 0.01 99.02 0.22 0.10 0.53 98.45 0.69 0.00 0.00 0.00 31 L H H 66.73 6.51 12.80 20.81 92.94 50.77 -65.81 -40.29 1.98 0.01 98.01 0.34 0.19 1.26 97.35 0.85 0.00 0.01 0.00 32 R H H 135.63 3.09 13.66 17.78 92.66 52.22 -65.90 -36.46 6.94 0.03 93.03 0.87 0.61 5.05 92.22 1.22 0.01 0.01 0.01 33 A H H 70.32 2.04 12.66 15.24 93.59 54.89 -71.59 -26.52 23.10 0.07 76.83 2.90 2.20 17.38 75.55 1.89 0.02 0.02 0.04 34 R H H 140.70 3.94 10.38 15.68 104.27 75.46 -78.89 17.83 38.29 0.38 61.34 12.68 7.40 19.33 54.32 5.83 0.04 0.15 0.24 35 T C H 106.90 1.74 11.48 13.83 99.08 47.71 -79.57 -12.28 51.68 0.46 47.86 10.61 8.98 31.94 36.96 10.94 0.05 0.21 0.32 36 A C T 75.96 2.66 10.77 14.64 106.74 52.68 -93.06 37.53 62.00 0.91 37.09 16.55 11.86 34.29 25.63 10.63 0.04 0.41 0.59 37 F C C 130.94 4.66 9.23 15.73 111.79 83.72 -91.49 118.71 78.91 4.18 16.91 52.40 15.61 10.75 11.68 5.21 0.01 1.86 2.47 38 I C C 99.53 5.03 10.65 17.56 117.34 -163.78 -98.52 133.74 87.16 2.68 10.16 68.79 13.60 3.83 9.39 1.66 0.00 1.10 1.62 39 K C C 135.92 3.07 12.03 16.66 114.20 -114.16 -78.88 139.72 81.99 0.48 17.52 69.01 7.78 3.51 17.82 1.47 0.00 0.19 0.22 40 P C H 78.28 5.30 11.12 18.08 108.02 -102.29 -68.13 145.02 58.35 0.40 41.25 35.12 6.68 14.37 40.37 3.10 0.00 0.18 0.18 41 S H H 59.77 3.90 12.06 17.34 106.94 -123.57 -77.85 148.14 46.95 0.56 52.49 31.88 4.39 10.20 50.02 3.01 0.00 0.24 0.27 42 V H H 87.88 3.26 12.34 16.89 94.13 -118.16 -66.06 -37.62 8.48 0.12 91.40 5.10 1.69 2.03 90.03 1.06 0.00 0.05 0.03 43 V H H 86.92 2.40 13.86 16.84 92.72 51.42 -65.22 -41.43 3.95 0.07 95.98 2.09 0.61 1.30 95.27 0.68 0.00 0.04 0.01 44 K H H 113.77 2.52 14.42 17.53 92.47 49.75 -65.68 -40.32 2.70 0.04 97.26 1.34 0.37 1.02 96.67 0.57 0.00 0.02 0.01 45 R H H 126.44 2.71 14.65 18.02 92.16 50.52 -64.76 -40.84 1.24 0.01 98.75 0.53 0.14 0.48 98.62 0.23 0.00 0.00 0.00 46 A H H 52.41 2.73 14.88 18.36 91.83 50.61 -64.01 -41.08 0.80 0.00 99.20 0.28 0.07 0.33 99.18 0.13 0.00 0.00 0.00 47 Q H H 102.25 2.28 16.04 18.31 91.86 50.20 -64.80 -41.19 0.69 0.00 99.31 0.21 0.06 0.31 99.32 0.10 0.00 0.00 0.00 48 I H H 91.65 2.63 15.48 18.53 92.09 49.41 -64.70 -41.98 0.53 0.00 99.47 0.14 0.04 0.24 99.51 0.07 0.00 0.00 0.00 49 Q H H 103.42 2.24 16.35 18.51 91.96 49.99 -64.41 -41.10 0.44 0.00 99.56 0.10 0.03 0.21 99.60 0.06 0.00 0.00 0.00 50 K H H 118.93 2.00 16.49 18.21 91.94 49.95 -64.67 -40.60 0.42 0.00 99.58 0.08 0.03 0.22 99.62 0.05 0.00 0.00 0.00 51 A H H 51.76 2.71 15.26 18.63 91.68 50.76 -63.76 -40.86 0.44 0.00 99.56 0.08 0.03 0.23 99.61 0.06 0.00 0.00 0.00 52 A H H 55.70 2.56 15.67 18.58 91.83 50.76 -63.93 -41.56 0.47 0.00 99.53 0.08 0.03 0.25 99.57 0.06 0.00 0.00 0.00 53 Y H H 127.50 2.13 16.00 17.95 92.14 49.76 -64.65 -41.76 0.54 0.00 99.46 0.11 0.04 0.29 99.49 0.07 0.00 0.00 0.00 54 I H H 90.81 2.19 15.27 17.52 91.94 49.45 -64.46 -41.82 0.51 0.00 99.49 0.12 0.04 0.26 99.51 0.07 0.00 0.00 0.00 55 Q H H 97.51 2.04 15.02 17.11 91.92 50.32 -64.24 -41.14 0.60 0.00 99.39 0.15 0.05 0.31 99.40 0.09 0.00 0.00 0.00 56 T H H 75.98 1.89 14.72 16.51 92.04 50.25 -64.26 -41.29 1.04 0.00 98.96 0.23 0.09 0.57 98.96 0.15 0.00 0.00 0.00 57 L H H 91.80 1.92 13.72 15.79 92.08 50.08 -64.66 -40.75 1.27 0.00 98.73 0.32 0.13 0.69 98.62 0.24 0.00 0.00 0.00 58 K H H 119.73 1.67 13.05 14.84 92.40 50.44 -65.14 -39.98 2.15 0.01 97.84 0.55 0.25 1.18 97.65 0.36 0.00 0.00 0.00 59 D H H 88.30 1.61 11.98 13.87 92.56 50.80 -65.98 -38.50 4.63 0.02 95.36 1.27 0.58 2.51 94.88 0.74 0.00 0.01 0.01 60 S H H 75.92 1.40 10.90 12.63 93.24 51.89 -67.28 -35.27 10.52 0.03 89.45 2.18 1.10 6.64 88.43 1.61 0.01 0.01 0.02 61 L H H 123.38 1.31 9.64 11.58 94.35 53.32 -71.19 -30.31 21.88 0.08 78.04 5.00 2.52 13.82 76.78 1.78 0.01 0.03 0.05 62 E C H 146.87 1.16 8.94 10.80 97.63 55.73 -78.65 -11.77 50.68 0.15 49.18 23.90 1.38 23.08 50.26 1.22 0.00 0.05 0.10 63 S C C 83.25 2.19 9.95 13.53 102.12 77.37 -80.18 10.37 99.90 0.01 0.09 99.54 0.10 0.27 0.08 0.00 0.00 0.00 0.00