# 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 112.98 5.52 14.89 21.78 118.03 -145.68 -93.12 139.49 99.96 0.03 0.00 99.88 0.09 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 68.60 10.53 10.98 22.32 114.81 -106.14 -67.19 148.65 95.49 1.34 3.17 93.41 0.57 2.53 1.40 0.89 0.00 0.78 0.43 2 K C C 128.45 4.86 14.49 21.00 115.39 -129.26 -88.41 140.25 78.52 14.28 7.20 59.75 13.10 5.48 3.08 4.19 0.01 10.35 4.04 3 Q C C 105.78 7.34 15.60 24.24 115.76 -117.24 -88.94 133.52 65.77 26.12 8.11 54.63 7.17 2.84 4.61 3.93 0.01 17.51 9.30 4 I C C 29.34 17.82 10.75 28.40 115.45 -153.40 -104.31 123.20 73.83 14.34 11.83 67.88 4.11 2.34 6.98 4.54 0.00 10.97 3.18 5 H C C 128.30 4.19 18.53 23.65 100.77 170.66 -96.65 -17.63 84.09 3.24 12.67 56.30 22.40 5.37 9.40 3.60 0.00 1.99 0.93 6 E C C 97.56 4.36 20.65 25.20 120.79 48.44 -110.60 134.54 75.46 4.72 19.82 44.50 25.64 5.56 16.97 3.18 0.03 1.87 2.24 7 I H H 34.80 20.53 12.46 32.36 92.60 -132.77 -60.15 -38.74 6.11 0.10 93.80 2.49 1.20 2.68 88.35 5.19 0.01 0.05 0.04 8 K H H 119.15 5.62 19.21 25.82 91.15 56.93 -62.62 -39.40 3.19 0.06 96.75 0.90 0.39 1.86 90.93 5.86 0.01 0.04 0.01 9 D H H 69.30 4.77 20.81 25.85 91.77 50.50 -66.07 -38.58 2.11 0.05 97.83 0.63 0.24 1.19 91.81 6.07 0.01 0.05 0.01 10 F H H 11.90 21.69 15.73 37.36 92.05 51.08 -64.55 -42.91 1.82 0.07 98.11 0.55 0.24 1.03 94.71 3.41 0.01 0.06 0.01 11 L H H 33.75 17.88 18.62 35.98 91.99 50.45 -64.28 -40.71 2.74 0.14 97.12 0.68 0.32 1.76 92.54 4.55 0.02 0.10 0.03 12 L H H 92.09 3.60 23.52 26.52 92.41 50.37 -67.56 -39.10 6.37 0.16 93.47 0.74 0.59 4.97 88.57 4.91 0.08 0.10 0.05 13 T H H 42.18 10.32 19.65 30.77 93.43 50.04 -72.09 -29.96 15.90 0.29 83.81 1.57 1.91 12.75 79.81 3.52 0.16 0.14 0.14 14 A C H 8.29 22.90 12.46 34.77 95.89 68.95 -72.63 -15.94 50.38 1.92 47.70 23.65 8.98 18.71 43.24 3.55 0.06 0.83 0.97 15 R C C 141.59 6.24 19.33 26.50 95.02 79.14 -75.27 -14.47 74.07 2.93 23.00 37.88 12.48 23.87 18.27 4.60 0.03 1.45 1.41 16 R C S 104.71 9.15 13.86 24.17 111.85 89.82 -81.00 126.00 80.85 4.93 14.21 32.17 38.32 10.37 10.35 3.44 0.08 1.73 3.54 17 K C T 154.57 2.64 16.43 20.18 93.83 -131.41 -66.72 -24.03 92.59 0.56 6.85 3.30 11.39 78.60 2.00 4.02 0.01 0.31 0.38 18 D C T 90.06 5.84 17.37 23.96 95.86 51.87 -88.68 -0.12 96.87 0.54 2.58 6.26 9.65 81.15 0.42 1.99 0.00 0.35 0.18 19 A C C 14.60 21.45 9.46 29.81 115.50 112.86 -78.14 134.93 77.39 21.51 1.10 72.02 4.23 1.02 0.23 0.88 0.00 20.05 1.57 20 R C C 142.17 4.13 22.18 27.03 99.85 -177.31 -92.50 -27.38 71.29 28.35 0.36 36.07 33.15 1.95 0.05 0.33 0.00 27.79 0.65 21 S E E 35.29 9.19 23.48 33.43 142.28 2.28 -158.31 155.63 18.37 81.26 0.37 13.18 4.26 1.07 0.08 0.28 0.00 80.86 0.28 22 V E E 18.74 23.74 14.07 37.51 128.36 -167.11 -136.23 136.37 4.08 95.85 0.07 3.68 0.22 0.04 0.02 0.02 0.00 95.94 0.07 23 R E E 108.89 6.34 25.70 32.39 120.83 -163.63 -116.21 129.09 1.23 98.75 0.02 1.10 0.04 0.01 0.01 0.00 0.00 98.81 0.03 24 I E E 38.49 21.04 13.91 34.21 119.87 -162.26 -112.73 128.21 2.02 97.95 0.02 1.84 0.07 0.01 0.01 0.01 0.00 98.03 0.03 25 K E E 97.71 5.32 21.04 27.04 122.34 -172.06 -121.45 136.00 2.88 97.08 0.04 2.57 0.15 0.04 0.01 0.01 0.00 97.15 0.06 26 R E E 130.64 9.81 12.55 23.57 117.50 -150.47 -103.70 129.75 11.76 88.14 0.09 9.88 1.31 0.21 0.02 0.05 0.00 88.27 0.26 27 T C C 59.65 4.45 12.75 18.90 128.35 174.56 -124.34 170.44 70.65 29.22 0.13 64.73 3.23 0.38 0.03 0.09 0.00 31.03 0.51 28 K C S 175.81 0.75 13.06 13.25 92.68 -87.40 -61.45 -35.50 98.38 1.18 0.45 10.45 57.94 30.08 0.04 0.43 0.00 0.90 0.17 29 D C S 110.25 2.72 13.81 17.31 101.37 16.47 -105.46 -2.49 98.96 0.66 0.38 6.56 58.26 34.20 0.02 0.37 0.00 0.50 0.09 30 A E E 29.00 10.22 15.39 27.29 140.15 32.00 -150.74 160.98 44.53 55.29 0.18 30.42 13.09 1.26 0.02 0.17 0.00 54.32 0.73 31 V E E 16.87 17.83 15.29 34.32 120.94 -135.39 -113.62 133.29 7.18 92.82 0.01 6.78 0.21 0.01 0.00 0.00 0.00 92.92 0.09 32 K E E 58.22 10.45 23.33 34.53 122.23 -162.44 -116.37 133.57 0.74 99.26 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.33 0.01 33 F E E 10.38 22.67 17.51 40.36 128.93 -172.58 -125.26 143.46 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 34 K E E 59.36 10.50 25.59 36.69 118.83 -141.03 -104.90 130.51 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 35 V E E 4.74 24.23 17.25 42.09 123.31 -170.11 -120.27 136.80 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 36 R E E 88.64 8.52 24.03 33.00 116.80 -155.24 -108.45 123.93 2.16 97.84 0.00 1.88 0.14 0.01 0.00 0.00 0.00 97.87 0.11 37 C C C 16.00 17.49 13.14 30.83 128.08 174.13 -119.74 169.90 71.70 28.27 0.04 68.20 1.84 0.13 0.00 0.02 0.00 29.39 0.41 38 S C S 78.66 3.59 17.55 21.88 93.68 -90.74 -63.29 -31.55 99.53 0.33 0.13 1.66 79.79 18.16 0.01 0.11 0.00 0.22 0.05 39 R C S 155.03 3.07 17.02 20.67 103.26 18.17 -106.23 -16.96 99.50 0.38 0.12 1.23 80.43 17.93 0.00 0.10 0.00 0.26 0.05 40 Y E E 75.89 9.96 16.54 27.82 137.58 22.32 -146.14 154.11 36.89 63.06 0.04 28.91 6.66 0.30 0.00 0.04 0.00 63.56 0.52 41 L E E 49.96 14.51 17.95 32.84 121.00 -142.20 -113.44 131.53 2.36 97.64 0.00 2.23 0.07 0.00 0.00 0.00 0.00 97.61 0.08 42 Y E E 28.29 17.18 20.33 37.86 129.21 -173.95 -126.69 146.19 0.61 99.39 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.45 0.00 43 T E E 27.60 15.60 23.37 38.98 123.01 -153.42 -114.40 133.39 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 44 L E E 8.85 22.53 21.58 43.88 124.36 -167.18 -118.01 135.02 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 45 C E E 24.75 13.28 25.40 39.42 117.30 -153.58 -104.23 127.82 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.01 46 V E E 9.32 21.34 15.76 37.55 121.85 -168.35 -113.77 134.02 8.82 91.17 0.00 8.88 0.13 0.00 0.00 0.00 0.00 90.69 0.29 47 F C S 117.20 6.31 20.89 27.97 97.30 -166.32 -90.44 -20.95 96.82 3.15 0.03 11.79 84.40 0.68 0.00 0.01 0.00 3.03 0.08 48 D C C 73.04 4.84 19.45 24.97 115.84 56.94 -114.41 116.31 98.84 0.85 0.31 56.25 41.43 1.33 0.17 0.11 0.00 0.42 0.30 49 A H H 52.04 12.28 12.82 25.79 92.96 -153.18 -61.90 -36.45 2.00 0.00 98.00 0.26 0.27 1.28 96.90 1.28 0.00 0.00 0.00 50 D H H 109.52 1.05 20.50 19.39 91.71 54.29 -64.22 -40.63 1.14 0.00 98.85 0.09 0.09 0.88 97.56 1.39 0.00 0.00 0.00 51 K H H 82.01 7.42 18.50 26.83 92.33 47.52 -66.70 -39.25 0.57 0.00 99.43 0.07 0.04 0.38 98.08 1.43 0.00 0.00 0.00 52 A H H 4.50 22.55 11.82 34.53 91.12 52.67 -62.89 -42.81 0.42 0.00 99.58 0.06 0.02 0.24 99.37 0.31 0.00 0.00 0.00 53 N H H 82.07 4.26 21.72 26.14 91.57 50.96 -63.75 -40.36 1.61 0.00 98.39 0.13 0.07 1.22 98.22 0.36 0.00 0.00 0.00 54 K H H 115.20 2.13 22.75 23.38 91.63 50.39 -64.30 -41.86 1.32 0.00 98.68 0.12 0.08 0.99 97.71 1.09 0.00 0.00 0.00 55 L H H 14.16 19.68 15.17 35.00 91.99 49.98 -64.53 -41.49 0.77 0.00 99.22 0.10 0.04 0.51 97.60 1.75 0.00 0.00 0.00 56 K H H 75.31 16.17 16.32 31.66 91.10 54.47 -62.56 -36.62 1.82 0.01 98.17 0.15 0.09 1.43 95.14 3.17 0.00 0.00 0.00 57 Q H H 142.22 1.15 20.58 20.25 91.50 53.84 -69.86 -24.94 21.68 0.01 78.30 0.24 0.39 22.27 73.96 3.12 0.01 0.00 0.01 58 S C T 65.80 5.68 18.29 24.73 95.01 52.06 -90.52 -7.69 53.82 0.03 46.14 0.76 1.63 51.34 43.70 2.53 0.01 0.01 0.03 59 L C S 21.52 22.72 8.94 30.24 118.41 105.35 -78.71 141.73 99.62 0.28 0.09 13.17 86.33 0.17 0.06 0.01 0.00 0.05 0.21 60 P C C 47.46 8.19 16.50 26.46 116.57 -106.78 -65.10 152.52 99.87 0.08 0.06 98.17 1.35 0.37 0.01 0.03 0.00 0.03 0.04 61 P C T 111.35 2.40 16.01 19.55 110.12 -83.16 -59.89 137.55 99.24 0.10 0.66 1.07 4.45 93.80 0.06 0.53 0.00 0.05 0.05 62 G C T 58.78 1.81 17.20 19.06 94.91 20.52 85.36 -2.51 99.11 0.24 0.65 1.64 4.09 93.38 0.04 0.65 0.00 0.17 0.04 63 L C C 31.12 19.39 9.30 27.77 120.01 123.26 -89.12 141.30 82.49 16.65 0.86 65.98 14.57 1.52 0.11 0.97 0.00 15.64 1.22 64 S E E 61.82 4.07 23.02 27.07 122.23 -151.28 -106.77 142.69 37.99 61.34 0.67 35.53 1.55 0.58 0.12 0.49 0.00 60.74 0.98 65 V E E 43.74 20.77 11.34 30.78 123.54 -159.35 -117.64 135.78 20.40 79.34 0.27 19.17 1.16 0.19 0.09 0.16 0.00 78.37 0.86 66 Q E E 96.40 5.04 18.40 24.74 123.82 -169.48 -122.27 140.00 14.04 85.75 0.21 12.76 1.16 0.21 0.08 0.13 0.00 84.87 0.79 67 E E E 125.61 5.93 13.98 21.90 112.92 -122.93 -80.96 129.47 25.14 74.74 0.11 24.63 0.48 0.12 0.03 0.07 0.00 73.61 1.05 68 V C C 65.92 12.04 12.52 24.75 109.39 -161.82 -93.90 106.66 99.47 0.52 0.00 99.53 0.05 0.01 0.00 0.00 0.00 0.40 0.01