# 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 P C C 89.84 4.81 11.80 18.26 113.61 -112.12 -69.98 144.01 99.91 0.08 0.00 99.65 0.25 0.04 0.00 0.00 0.00 0.06 0.00 1 R C C 167.25 2.49 10.45 14.80 117.28 -143.22 -100.92 133.57 65.71 33.96 0.32 62.07 2.00 0.78 0.07 0.23 0.00 33.08 1.77 2 I E E 115.21 4.36 8.31 14.77 116.57 -149.66 -100.84 128.78 38.87 60.96 0.17 35.20 2.84 0.34 0.05 0.13 0.00 59.62 1.81 3 V E E 94.43 4.29 9.51 15.91 119.96 -166.99 -113.79 133.27 32.13 67.78 0.09 30.34 1.18 0.12 0.03 0.05 0.00 67.53 0.75 4 R E E 162.83 2.64 10.81 15.42 116.64 -134.27 -95.38 133.27 33.66 66.17 0.17 31.58 1.26 0.20 0.05 0.09 0.00 66.10 0.70 5 V E E 99.96 5.28 9.17 16.51 120.87 -167.78 -116.15 134.91 44.65 55.12 0.23 41.06 2.36 0.31 0.07 0.13 0.00 55.49 0.58 6 K E E 135.46 2.67 11.96 16.25 123.94 -155.26 -120.12 142.81 46.05 53.65 0.30 41.56 3.17 0.47 0.07 0.19 0.00 53.97 0.58 7 R E E 166.74 3.38 10.17 16.00 118.47 -140.87 -103.43 134.23 48.11 51.52 0.37 44.74 2.43 0.47 0.11 0.25 0.00 50.38 1.62 8 F C C 106.21 6.46 9.51 17.98 125.66 -172.84 -122.83 146.05 59.45 40.08 0.47 54.65 3.53 0.66 0.13 0.37 0.00 38.70 1.96 9 E C C 151.36 1.43 14.04 15.89 113.10 -117.07 -80.83 135.27 72.21 27.32 0.46 63.03 7.24 1.05 0.10 0.41 0.00 26.80 1.38 10 M C C 88.23 11.69 8.34 20.33 117.99 -143.05 -94.15 136.49 83.96 15.75 0.28 75.60 7.51 0.62 0.07 0.23 0.00 14.27 1.70 11 K C C 140.03 2.29 16.86 19.81 118.25 -143.44 -97.57 139.70 82.59 17.33 0.08 74.64 6.99 0.31 0.02 0.07 0.00 17.09 0.88 12 P C C 81.04 8.88 13.04 23.21 114.48 -105.99 -67.09 143.45 70.35 29.53 0.12 61.39 8.30 0.41 0.04 0.10 0.00 26.73 3.03 13 M E C 46.35 12.71 12.81 26.73 131.16 -170.85 -128.83 155.27 37.82 62.10 0.08 36.04 2.16 0.04 0.07 0.02 0.00 26.35 35.31 14 D C C 80.37 2.89 21.76 23.65 117.82 -102.84 -71.77 154.85 98.63 1.35 0.02 98.63 0.35 0.01 0.01 0.00 0.00 0.91 0.09 15 P H H 43.41 17.45 12.14 29.12 91.57 -110.73 -57.35 -38.93 1.66 0.00 98.33 0.16 0.12 1.16 98.10 0.46 0.00 0.00 0.00 16 E H H 127.59 2.36 19.78 22.22 91.61 52.69 -63.74 -40.37 0.92 0.00 99.08 0.09 0.05 0.67 98.68 0.51 0.00 0.00 0.00 17 E H H 96.32 3.28 21.06 23.82 91.70 48.81 -65.36 -40.30 0.38 0.00 99.62 0.06 0.02 0.23 99.25 0.44 0.00 0.00 0.00 18 A H H 5.89 19.84 14.43 34.88 91.48 51.14 -63.09 -43.05 0.15 0.00 99.85 0.03 0.01 0.06 99.86 0.04 0.00 0.00 0.00 19 A H H 29.86 13.11 18.27 31.87 91.59 51.20 -62.79 -42.37 0.18 0.00 99.82 0.03 0.01 0.08 99.86 0.01 0.00 0.00 0.00 20 F H H 121.99 1.69 22.98 22.35 91.59 49.48 -64.14 -42.20 0.24 0.00 99.76 0.04 0.01 0.13 99.80 0.02 0.00 0.00 0.00 21 Q H H 67.73 7.37 19.11 27.46 91.85 49.63 -64.72 -41.54 0.33 0.00 99.67 0.04 0.02 0.21 99.70 0.03 0.00 0.00 0.00 22 M H H 15.96 19.16 12.34 31.53 91.86 50.64 -64.02 -41.74 0.34 0.00 99.66 0.05 0.02 0.21 99.61 0.12 0.00 0.00 0.00 23 E H H 124.12 3.57 16.62 21.49 91.58 50.30 -63.89 -39.73 0.59 0.00 99.40 0.05 0.02 0.43 99.21 0.28 0.00 0.00 0.00 24 A H H 85.10 1.29 16.16 16.70 91.98 52.17 -66.46 -34.99 2.48 0.00 97.52 0.07 0.09 2.25 97.21 0.38 0.00 0.00 0.00 25 L H H 83.13 6.77 12.84 21.07 94.54 46.14 -85.48 -11.69 22.95 0.04 77.01 0.78 1.57 20.17 76.71 0.70 0.02 0.01 0.03 26 G C T 58.55 1.59 17.17 18.67 95.07 -120.68 73.28 20.31 99.76 0.03 0.20 15.44 3.98 80.41 0.07 0.07 0.00 0.02 0.01 27 H C C 63.38 12.20 11.91 24.91 127.02 130.20 -108.13 153.35 99.26 0.64 0.10 86.80 11.75 0.78 0.02 0.10 0.00 0.35 0.21 28 S C S 61.60 7.21 19.66 27.76 95.40 -142.07 -81.74 -16.92 99.32 0.67 0.01 8.59 90.29 0.55 0.00 0.01 0.00 0.54 0.03 29 F E E 51.18 13.37 18.83 32.87 137.40 25.79 -144.13 150.45 10.95 89.03 0.02 8.28 2.32 0.15 0.00 0.03 0.00 89.03 0.19 30 F E E 28.90 17.44 20.13 37.77 131.80 -167.14 -133.29 147.20 0.68 99.32 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.30 0.03 31 V E E 33.69 14.88 21.84 37.00 118.67 -146.12 -108.22 129.43 0.32 99.68 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.71 0.00 32 F E E 28.74 16.45 19.06 35.90 130.98 -176.54 -128.91 151.43 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 33 R E E 102.98 8.66 19.17 28.68 117.38 -128.90 -99.96 131.50 0.75 99.25 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.18 0.09 34 N E E 30.61 12.35 11.39 25.65 108.84 -131.68 -82.35 118.73 31.75 68.23 0.02 31.63 0.43 0.03 0.00 0.01 0.00 67.23 0.65 35 A C T 74.09 3.67 12.88 18.34 93.36 -153.88 -66.92 -28.96 99.29 0.06 0.65 0.16 2.53 96.77 0.02 0.47 0.00 0.03 0.01 36 K C T 163.95 0.70 13.21 12.86 96.76 47.36 -75.62 -38.92 99.19 0.04 0.77 0.10 2.21 97.09 0.02 0.55 0.00 0.02 0.01 37 T C T 75.29 3.42 11.49 16.28 102.30 22.79 -104.90 -11.77 99.30 0.05 0.65 0.51 3.40 95.53 0.04 0.47 0.00 0.03 0.02 38 D C C 107.61 3.66 12.90 18.47 94.53 -127.53 61.70 29.15 99.53 0.21 0.26 53.31 5.67 40.61 0.06 0.15 0.00 0.15 0.04 39 E C C 82.24 6.28 15.61 23.55 124.41 133.14 -102.45 151.17 56.64 43.33 0.04 52.02 3.85 0.14 0.01 0.03 0.00 42.65 1.31 40 I E E 55.01 12.56 16.78 30.36 116.41 -119.47 -89.37 133.47 0.80 99.20 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.15 0.06 41 N E E 21.13 16.72 18.89 35.98 130.72 -172.75 -126.74 151.51 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 42 V E E 22.30 15.26 22.44 38.44 119.92 -136.55 -108.65 131.16 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 43 I E E 15.36 19.14 19.52 39.22 118.46 -155.54 -106.61 129.17 0.27 99.73 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.75 0.00 44 Y E E 46.14 12.71 20.61 34.32 130.95 -173.65 -127.53 151.26 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 45 R E E 97.38 10.42 15.74 27.21 115.02 -127.68 -96.59 126.23 1.53 98.47 0.00 1.44 0.05 0.00 0.00 0.00 0.00 98.16 0.36 46 R C C 77.59 8.72 11.09 21.55 122.87 -143.22 -85.18 165.52 89.76 10.20 0.03 90.14 0.41 0.07 0.01 0.02 0.00 8.75 0.61 47 K C T 175.80 0.89 10.88 12.13 90.38 -99.91 -61.69 -27.40 98.86 0.33 0.81 0.33 3.49 95.08 0.01 0.84 0.00 0.19 0.06 48 D C T 120.94 0.72 11.90 11.78 92.54 56.99 -85.75 -0.08 99.09 0.06 0.85 0.17 2.73 96.17 0.01 0.88 0.00 0.03 0.01 49 G C S 44.17 4.37 11.79 17.89 97.90 -102.13 88.40 5.73 99.01 0.32 0.67 10.78 86.77 1.68 0.04 0.45 0.00 0.14 0.14 50 N C C 71.90 5.09 14.40 21.26 119.72 131.41 -79.83 148.86 96.63 3.33 0.04 91.06 5.62 0.24 0.01 0.03 0.00 2.41 0.63 51 Y E E 75.96 14.94 13.50 28.69 128.59 -153.46 -124.89 148.82 3.56 96.43 0.00 3.22 0.21 0.01 0.00 0.00 0.00 95.86 0.69 52 G E E 16.21 10.23 20.80 32.17 140.41 173.87 -151.99 170.20 0.88 99.12 0.00 0.72 0.05 0.00 0.00 0.00 0.00 99.21 0.01 53 L E E 59.15 13.70 17.73 31.68 120.57 -102.38 -99.22 137.93 1.04 98.96 0.00 0.93 0.04 0.00 0.00 0.00 0.00 98.98 0.05 54 I E E 48.81 13.52 14.91 29.31 120.10 -159.90 -107.65 131.65 9.04 90.96 0.00 8.55 0.33 0.01 0.00 0.00 0.00 90.38 0.72 55 E C C 111.62 5.85 15.88 23.20 118.61 -153.37 -108.58 129.72 66.13 33.86 0.01 66.40 0.29 0.02 0.00 0.00 0.00 32.97 0.32 56 P C C 69.32 10.17 13.58 24.46 112.00 -106.82 -65.35 148.75 99.67 0.32 0.01 99.56 0.14 0.04 0.00 0.00 0.00 0.24 0.01