# 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 130.92 3.29 9.84 15.05 114.56 -155.39 -96.10 133.36 99.92 0.07 0.01 99.88 0.07 0.02 0.00 0.00 0.00 0.03 0.01 1 K C C 154.22 1.88 8.89 12.43 116.56 -146.52 -96.33 133.20 95.10 3.96 0.95 93.62 0.70 1.47 0.32 0.35 0.00 2.38 1.17 2 V C C 107.54 3.64 7.34 13.12 117.10 -142.10 -95.38 136.17 92.17 6.85 0.97 80.67 9.10 2.34 0.26 0.70 0.00 5.44 1.50 3 K C C 146.17 2.40 9.73 13.92 119.01 -142.68 -105.61 138.88 85.90 13.28 0.83 80.52 4.36 1.03 0.27 0.50 0.00 10.23 3.09 4 M C C 125.57 5.03 8.91 15.92 115.56 -132.20 -88.54 134.17 79.80 19.45 0.76 75.13 3.73 0.77 0.36 0.38 0.00 14.47 5.16 5 K C C 139.93 3.11 12.31 17.09 119.40 -155.65 -107.45 138.78 79.98 19.08 0.94 71.91 6.41 1.12 0.54 0.44 0.00 13.55 6.03 6 T C C 78.73 8.50 10.06 19.84 120.56 -138.72 -100.00 142.45 84.80 13.60 1.60 73.08 9.82 1.46 1.09 0.62 0.00 8.90 5.04 7 K C C 106.67 6.86 12.52 20.67 109.75 -127.68 -90.90 117.97 93.22 3.55 3.23 83.37 8.32 1.50 2.87 0.60 0.00 1.99 1.35 8 S H H 78.82 3.09 13.83 18.22 94.40 -148.40 -64.76 -34.15 25.08 0.64 74.27 11.22 5.77 9.36 62.39 10.59 0.05 0.34 0.27 9 G H H 37.58 3.46 15.64 20.02 92.54 56.86 -64.44 -37.72 16.80 0.30 82.90 3.63 2.70 9.90 67.56 15.83 0.07 0.18 0.12 10 A H H 21.85 14.14 12.27 27.17 92.58 52.60 -67.60 -36.18 7.62 0.17 92.20 1.96 1.09 4.21 72.21 20.34 0.02 0.12 0.04 11 A H H 41.32 11.99 13.52 26.21 91.45 58.85 -64.27 -31.64 6.76 0.19 93.05 1.60 0.88 3.88 70.35 23.10 0.02 0.13 0.04 12 K H H 149.29 1.61 19.36 20.29 91.92 57.83 -73.42 -17.27 29.18 0.51 70.31 2.54 2.63 21.75 50.58 21.86 0.11 0.32 0.20 13 R C T 108.66 8.20 15.98 25.04 95.86 56.06 -89.37 -8.12 54.06 1.75 44.18 5.98 6.93 39.03 32.01 13.94 0.24 1.20 0.67 14 F E E 46.61 18.22 9.65 27.14 123.50 83.99 -102.58 143.22 23.44 75.71 0.86 19.55 3.68 0.71 0.65 0.35 0.00 72.88 2.17 15 K E E 117.42 3.68 17.86 22.55 122.85 -161.30 -116.01 140.03 4.64 95.15 0.21 4.23 0.29 0.08 0.20 0.04 0.00 94.53 0.63 16 R E E 147.45 5.89 11.60 19.60 113.57 -122.79 -81.78 129.37 7.47 92.33 0.20 6.51 0.66 0.17 0.13 0.08 0.00 91.52 0.94 17 T C C 58.73 5.33 9.74 17.07 128.33 170.63 -112.25 173.41 53.13 46.75 0.12 49.56 1.80 0.33 0.03 0.06 0.00 47.58 0.65 18 A C T 103.51 0.53 10.72 10.59 91.72 -91.39 -62.95 -27.00 98.85 0.91 0.24 12.96 29.63 56.32 0.03 0.21 0.00 0.75 0.10 19 N C T 132.63 0.85 11.05 11.55 97.57 45.59 -95.39 1.06 99.22 0.53 0.24 13.47 29.96 55.83 0.03 0.23 0.00 0.41 0.08 20 G E E 28.40 4.85 13.48 20.14 134.73 -81.48 129.55 -173.20 45.22 54.69 0.09 34.58 9.07 0.72 0.01 0.08 0.00 54.96 0.57 21 F E E 91.01 10.30 10.51 22.02 120.15 -41.35 -102.25 140.31 12.94 87.04 0.02 12.90 0.29 0.02 0.00 0.01 0.00 86.38 0.39 22 K E E 96.19 6.64 15.10 23.47 125.54 -166.21 -122.70 141.98 3.96 96.03 0.02 3.88 0.14 0.01 0.01 0.01 0.00 95.46 0.50 23 R E E 114.75 10.16 12.60 23.70 121.42 -138.94 -103.13 138.82 18.92 80.97 0.11 17.99 0.77 0.09 0.05 0.05 0.00 79.99 1.05 24 K C C 104.12 7.17 13.10 21.81 120.00 -147.43 -100.40 142.43 78.97 19.21 1.82 71.66 5.43 1.06 0.76 0.90 0.00 19.27 0.93 25 Q C C 104.89 6.55 12.01 19.89 116.04 -116.15 -82.20 141.66 81.47 3.41 15.12 72.28 5.95 4.09 5.64 8.76 0.00 2.37 0.90 26 A C C 67.55 5.46 11.33 18.29 109.29 -117.50 -76.25 140.58 66.26 1.29 32.45 25.67 16.82 23.58 9.99 22.60 0.02 0.62 0.71 27 F C C 138.13 4.18 10.97 16.56 104.58 17.65 -84.39 60.80 63.55 1.62 34.83 28.96 12.08 22.41 13.61 21.21 0.02 0.75 0.96 28 K C C 122.17 5.36 10.36 17.27 106.28 155.67 -89.45 31.41 63.14 1.66 35.20 40.90 11.91 10.41 22.15 12.88 0.01 0.72 1.01 29 S C C 62.16 5.27 10.25 17.10 112.90 111.43 -90.42 132.00 61.91 1.34 36.75 38.32 12.06 11.67 25.81 10.71 0.01 0.56 0.85 30 H C H 136.18 2.68 11.11 15.01 96.88 -132.32 -72.91 -22.61 50.00 0.92 49.08 12.56 12.22 25.33 31.56 17.15 0.16 0.42 0.60 31 I H H 103.92 3.66 11.38 16.38 97.66 57.76 -78.10 -15.57 49.02 1.23 49.75 13.82 10.59 24.68 31.99 17.35 0.20 0.59 0.78 32 L H C 69.86 9.14 8.79 18.97 95.56 72.42 -78.76 -12.23 47.92 1.65 50.43 27.75 8.43 11.67 26.84 23.61 0.02 0.74 0.94 33 T C T 93.45 3.54 11.40 16.41 94.42 86.51 -71.18 -21.27 61.84 0.82 37.34 14.42 10.26 36.49 19.39 18.44 0.03 0.38 0.58 34 K C T 167.74 0.75 12.98 12.71 95.98 54.07 -89.38 0.08 69.28 0.78 29.93 14.63 13.61 40.73 13.20 16.83 0.02 0.35 0.62 35 K C S 74.63 10.19 6.49 17.24 121.16 101.51 -84.80 149.94 97.17 0.75 2.08 42.23 54.02 0.85 1.77 0.29 0.00 0.16 0.67 36 S C C 62.57 1.77 13.06 14.96 117.63 -105.73 -68.30 157.19 98.70 0.39 0.91 97.78 0.88 0.18 0.73 0.06 0.00 0.09 0.28 37 S H H 85.52 2.09 10.23 13.82 92.03 -106.71 -59.66 -37.19 3.82 0.01 96.17 0.93 0.65 1.97 95.41 1.03 0.00 0.00 0.00 38 K H H 148.48 0.80 12.67 12.50 91.87 53.27 -64.73 -39.09 2.37 0.01 97.62 0.33 0.25 1.59 96.69 1.13 0.00 0.00 0.00 39 R H H 114.82 3.54 11.99 16.95 92.64 48.21 -66.70 -39.45 1.38 0.01 98.61 0.29 0.14 0.85 97.40 1.31 0.00 0.00 0.00 40 I H H 66.77 7.63 10.56 19.88 92.18 51.99 -64.13 -41.20 0.99 0.01 99.01 0.23 0.09 0.57 97.95 1.17 0.00 0.00 0.00 41 R H H 150.18 1.70 14.30 16.04 92.23 51.00 -65.19 -38.13 2.93 0.01 97.07 0.25 0.15 2.32 94.22 3.07 0.00 0.00 0.00 42 Q H H 120.85 1.86 14.11 16.16 92.81 52.18 -69.40 -30.50 9.52 0.01 90.47 0.37 0.37 8.64 87.30 3.29 0.01 0.00 0.01 43 L H H 72.60 9.58 10.69 21.23 96.00 54.84 -81.53 -11.39 26.69 0.22 73.10 3.13 2.71 20.48 70.17 3.25 0.05 0.08 0.13 44 R C T 142.91 5.17 12.46 19.30 104.70 89.41 -80.80 37.24 67.84 2.73 29.43 16.29 12.69 38.19 27.12 3.02 0.09 1.23 1.37 45 G C T 45.55 3.25 15.05 18.82 119.20 13.78 76.16 -2.20 89.45 4.47 6.08 31.97 17.33 40.87 3.50 2.14 0.00 3.55 0.63 46 L C C 99.41 8.00 11.71 20.94 114.49 -74.08 -84.93 132.60 83.92 14.41 1.68 70.89 9.06 2.97 0.69 0.97 0.00 14.45 0.97 47 K E E 114.14 5.49 15.22 22.42 125.64 -174.56 -122.50 144.10 34.58 64.65 0.78 29.81 3.77 0.82 0.42 0.43 0.00 61.05 3.71 48 M E E 112.83 6.48 16.25 24.13 115.98 -115.66 -82.35 136.97 21.14 78.60 0.26 18.81 1.89 0.29 0.18 0.14 0.00 73.13 5.56 49 V C C 31.03 18.10 9.26 26.45 120.22 -147.74 -102.07 145.39 55.82 44.07 0.11 53.96 1.80 0.12 0.05 0.06 0.00 40.16 3.85 50 D C C 72.59 3.63 16.85 20.92 119.77 -114.34 -75.90 162.54 96.26 3.65 0.09 95.62 1.00 0.06 0.04 0.02 0.00 3.00 0.26 51 K H G 157.08 2.39 12.96 17.06 90.77 -103.42 -59.09 -34.19 18.13 0.10 81.77 1.35 1.63 13.80 32.56 50.55 0.01 0.06 0.03 52 S H G 86.66 1.12 15.09 15.39 91.15 59.60 -68.74 -23.98 17.45 0.09 82.47 0.93 1.22 14.11 31.03 52.60 0.01 0.05 0.04 53 D H G 43.72 12.92 11.73 25.21 96.73 49.47 -92.21 -7.10 14.60 0.18 85.22 3.28 1.65 8.89 31.87 54.14 0.01 0.12 0.05 54 E H H 64.74 13.60 12.54 26.42 92.91 87.74 -60.26 -42.73 1.37 0.00 98.63 0.58 0.13 0.54 98.05 0.71 0.00 0.00 0.00 55 A H H 64.56 1.69 18.83 19.16 91.74 51.50 -63.56 -40.83 0.37 0.00 99.63 0.04 0.02 0.24 99.03 0.66 0.00 0.00 0.00 56 A H H 47.44 4.41 17.08 22.59 92.03 50.13 -64.87 -40.55 0.20 0.00 99.79 0.02 0.01 0.13 99.16 0.67 0.00 0.00 0.00 57 V H H 21.12 17.37 12.16 29.66 92.45 50.22 -65.48 -41.11 0.20 0.00 99.80 0.02 0.01 0.14 99.33 0.51 0.00 0.00 0.00 58 R H H 128.67 6.86 15.57 23.66 91.51 54.26 -63.58 -36.48 1.85 0.00 98.15 0.07 0.04 1.72 96.44 1.73 0.00 0.00 0.00 59 R H H 175.53 1.02 16.94 16.63 91.91 54.07 -69.48 -27.22 17.74 0.00 82.26 0.15 0.23 18.82 78.76 2.03 0.01 0.00 0.00 60 M H H 91.83 7.29 13.66 22.13 96.66 48.17 -87.99 -13.78 31.04 0.03 68.93 0.53 1.32 29.39 66.02 2.67 0.03 0.01 0.03 61 C C C 35.47 14.03 8.23 22.29 114.75 80.76 -101.93 120.02 97.73 0.88 1.38 55.02 40.80 1.77 0.47 0.84 0.00 0.25 0.86 62 P C T 95.27 3.02 13.19 17.44 97.11 -149.93 -65.39 -19.28 96.13 0.44 3.44 9.96 11.90 73.87 0.37 3.44 0.00 0.25 0.20 63 Y C T 164.37 2.83 11.62 15.73 99.35 51.58 -86.00 11.71 95.47 0.53 4.00 21.63 5.06 68.86 0.50 3.42 0.00 0.34 0.19 64 I C C 76.00 11.40 10.70 22.44 107.22 131.95 -83.68 88.51 99.79 0.13 0.08 99.54 0.21 0.11 0.02 0.02 0.00 0.06 0.03