# 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 105.19 6.95 13.65 21.89 118.83 -140.51 -93.71 138.73 99.97 0.03 0.00 99.89 0.08 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 71.46 8.49 10.96 20.85 113.57 -105.98 -67.72 147.82 91.18 0.95 7.87 88.87 0.59 3.14 5.12 1.39 0.00 0.43 0.46 2 R C C 153.48 4.10 12.29 18.19 110.46 -128.77 -85.50 133.05 75.74 5.03 19.23 52.50 14.24 8.67 13.95 5.71 0.01 2.84 2.08 3 K C C 130.75 4.70 14.33 20.47 113.18 -109.62 -88.44 124.86 67.14 9.51 23.34 50.31 9.97 6.26 17.64 6.54 0.02 6.06 3.19 4 I C C 50.56 15.67 9.62 24.60 113.06 -163.90 -96.43 121.05 55.12 6.08 38.80 47.20 4.92 3.83 31.23 7.06 0.00 4.48 1.28 5 E C C 123.28 3.53 16.80 21.10 100.43 -167.91 -83.84 -29.91 53.32 3.10 43.58 40.13 7.45 5.98 38.05 5.56 0.00 2.13 0.69 6 E H H 98.50 5.35 18.23 24.06 109.22 35.30 -89.80 111.01 44.28 2.15 53.57 32.99 5.81 6.41 47.73 5.16 0.01 1.31 0.58 7 I H H 28.68 20.45 12.89 32.39 93.73 -118.71 -63.90 -39.51 9.45 0.25 90.30 5.97 1.60 2.49 86.75 2.98 0.01 0.13 0.07 8 K H H 110.07 6.93 18.83 26.64 92.00 55.43 -63.11 -39.76 4.34 0.09 95.57 1.72 0.61 2.14 92.50 2.94 0.01 0.06 0.02 9 D H H 78.99 3.32 21.71 24.50 92.13 50.48 -66.32 -39.39 3.93 0.08 95.99 1.33 0.47 2.15 93.05 2.91 0.01 0.05 0.02 10 F H H 19.38 18.88 17.04 35.96 92.37 51.05 -64.65 -42.93 2.41 0.05 97.54 0.68 0.29 1.37 95.27 2.34 0.01 0.04 0.01 11 L H H 28.03 18.56 18.14 36.25 92.09 50.75 -63.91 -41.61 2.12 0.07 97.81 0.57 0.22 1.26 94.68 3.19 0.01 0.05 0.01 12 L H H 88.23 3.56 23.21 26.33 92.05 50.50 -65.37 -40.32 3.90 0.10 96.00 0.70 0.36 2.78 92.39 3.66 0.02 0.07 0.02 13 T H H 46.73 8.35 20.21 29.44 92.24 50.29 -67.28 -37.06 9.47 0.16 90.37 1.00 0.89 7.66 87.05 3.18 0.08 0.08 0.07 14 A H H 8.40 21.85 12.71 34.33 93.53 60.02 -69.70 -24.06 37.21 0.68 62.11 8.34 4.61 24.69 58.01 3.59 0.09 0.31 0.37 15 R C T 137.92 7.19 18.69 26.72 93.77 68.49 -74.94 -14.22 68.80 1.11 30.08 17.78 7.74 42.53 26.04 4.76 0.03 0.54 0.57 16 R C S 117.11 6.84 14.39 22.71 111.25 92.66 -79.30 134.65 82.43 2.98 14.58 21.76 47.48 12.60 11.99 2.69 0.06 0.94 2.47 17 K C T 154.61 2.48 15.68 19.13 95.17 -120.90 -66.70 -23.89 93.62 0.39 5.99 2.15 9.05 83.32 2.05 2.92 0.01 0.20 0.30 18 D C T 98.44 4.70 16.85 22.19 97.05 47.28 -88.96 1.39 97.84 0.25 1.91 4.25 7.88 85.97 0.39 1.25 0.00 0.15 0.11 19 A C C 17.39 20.31 9.13 28.32 115.16 120.81 -80.59 136.18 84.96 13.52 1.52 79.39 4.75 1.18 0.32 1.19 0.00 11.80 1.37 20 K C C 134.66 3.33 21.44 25.38 99.23 -173.40 -89.57 -27.20 80.24 19.02 0.74 42.08 35.79 2.15 0.14 0.57 0.00 18.64 0.62 21 S E E 36.61 8.37 22.90 32.16 142.54 1.40 -158.70 157.10 25.73 73.60 0.67 18.74 5.49 1.68 0.18 0.48 0.00 73.04 0.39 22 V E E 20.16 23.47 13.34 36.49 130.69 -168.17 -139.53 139.60 5.92 93.92 0.16 5.38 0.38 0.10 0.06 0.06 0.00 93.87 0.14 23 K E E 95.09 6.03 25.43 31.96 124.83 -170.36 -126.71 135.06 1.74 98.18 0.08 1.54 0.10 0.04 0.03 0.03 0.00 98.21 0.06 24 I E E 38.93 20.53 13.68 33.65 119.76 -154.36 -109.17 130.01 2.99 96.94 0.06 2.70 0.15 0.04 0.02 0.03 0.00 97.01 0.05 25 K E E 97.82 5.27 20.51 26.48 123.63 -172.00 -120.78 135.74 6.27 93.66 0.08 5.66 0.40 0.10 0.02 0.04 0.00 93.64 0.14 26 K E E 118.90 9.13 12.06 22.61 118.98 -151.03 -106.20 132.70 18.33 81.51 0.16 15.58 2.29 0.36 0.04 0.10 0.00 81.08 0.56 27 N C C 66.01 5.33 11.57 18.75 129.26 174.91 -119.76 169.18 71.47 28.32 0.21 64.68 4.03 0.64 0.04 0.17 0.00 29.74 0.70 28 K C T 176.88 0.75 12.01 12.33 93.08 -95.42 -63.12 -29.39 95.88 2.69 1.43 11.75 38.60 45.57 0.08 1.54 0.00 2.08 0.38 29 D C T 115.99 1.55 12.90 14.52 100.56 29.91 -100.04 -5.13 97.75 0.89 1.37 7.63 40.58 49.38 0.06 1.52 0.00 0.65 0.17 30 N C S 59.20 8.57 14.31 24.25 133.99 14.08 -150.32 157.97 69.42 29.48 1.11 22.92 34.50 12.69 0.08 1.16 0.00 27.52 1.12 31 V E E 30.19 14.68 14.19 30.15 117.48 -133.21 -103.67 130.56 22.72 77.25 0.03 20.45 1.24 0.11 0.00 0.02 0.00 77.90 0.28 32 K E E 58.66 10.07 21.11 32.23 124.71 -166.78 -121.23 138.18 2.56 97.44 0.00 2.25 0.11 0.00 0.00 0.00 0.00 97.60 0.03 33 F E E 15.10 20.85 16.86 37.99 126.70 -168.56 -123.34 141.34 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 34 K E E 61.94 9.96 24.53 35.09 120.74 -152.99 -113.17 132.06 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 35 V E E 7.38 22.43 16.63 39.56 123.39 -168.63 -119.24 134.92 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 36 R E E 96.25 7.52 22.33 30.51 116.36 -154.96 -105.27 125.77 1.41 98.58 0.00 1.24 0.07 0.00 0.00 0.00 0.00 98.64 0.05 37 C C C 21.43 15.43 12.11 28.01 130.12 173.08 -123.74 168.53 68.10 31.86 0.03 64.91 1.56 0.10 0.00 0.02 0.00 33.04 0.37 38 S C S 82.50 2.85 16.19 19.62 95.00 -88.36 -64.00 -34.54 99.47 0.38 0.15 1.52 76.00 22.05 0.01 0.13 0.00 0.25 0.05 39 R C S 166.18 2.35 15.70 18.43 102.69 13.20 -104.59 -13.03 99.49 0.39 0.12 1.13 76.62 21.83 0.00 0.11 0.00 0.27 0.05 40 Y E E 89.22 8.08 15.56 25.20 136.57 24.26 -143.57 154.43 32.76 67.20 0.04 25.96 5.62 0.27 0.00 0.04 0.00 67.61 0.50 41 L E E 60.85 12.61 16.56 29.92 119.86 -137.31 -110.12 131.18 2.12 97.88 0.00 1.99 0.06 0.00 0.00 0.00 0.00 97.88 0.07 42 Y E E 33.68 16.08 18.59 35.37 128.67 -173.60 -125.92 145.22 0.60 99.40 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.00 43 T E E 36.00 12.95 22.82 36.26 120.69 -149.92 -110.95 132.33 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 44 L E E 8.65 22.92 19.25 42.23 120.47 -163.83 -111.70 129.21 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 45 V E E 38.50 10.47 25.54 37.00 116.59 -155.34 -107.01 124.82 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 46 I E E 9.58 22.21 14.01 36.69 117.96 -162.47 -106.30 128.01 11.34 88.65 0.00 11.59 0.13 0.00 0.00 0.00 0.00 87.96 0.31 47 T C S 80.72 5.25 21.14 27.08 98.92 175.88 -98.06 -15.82 97.49 2.49 0.02 20.14 77.10 0.37 0.00 0.01 0.00 2.30 0.08 48 D C C 71.80 5.07 17.97 24.11 113.02 74.96 -104.16 115.54 99.03 0.70 0.27 62.34 36.24 0.62 0.17 0.08 0.00 0.29 0.27 49 K H H 112.34 9.42 13.10 23.85 92.73 -156.19 -62.58 -36.11 1.96 0.00 98.04 0.30 0.28 1.16 97.26 1.00 0.00 0.00 0.00 50 E H H 135.10 1.08 19.63 18.66 91.59 54.41 -63.51 -40.87 0.99 0.00 99.01 0.10 0.08 0.71 97.91 1.20 0.00 0.00 0.00 51 K H H 81.18 7.12 17.89 26.11 92.10 47.35 -66.45 -38.94 0.51 0.00 99.49 0.07 0.04 0.33 98.37 1.19 0.00 0.00 0.00 52 A H H 5.25 21.58 11.62 33.40 90.98 52.67 -62.68 -42.50 0.45 0.00 99.55 0.07 0.03 0.26 99.22 0.42 0.00 0.00 0.00 53 E H H 99.13 3.92 21.27 25.32 91.38 50.93 -63.59 -41.00 0.94 0.00 99.06 0.08 0.03 0.69 98.43 0.76 0.00 0.00 0.00 54 K H H 115.52 2.06 22.30 22.84 91.64 50.38 -64.25 -41.89 1.13 0.00 98.87 0.10 0.05 0.81 97.03 2.02 0.00 0.00 0.00 55 L H H 13.79 19.14 14.88 34.31 91.85 49.69 -64.52 -41.39 1.06 0.00 98.93 0.14 0.06 0.70 96.55 2.55 0.00 0.00 0.00 56 K H H 75.84 15.87 16.10 31.20 91.12 54.86 -62.48 -37.29 2.68 0.01 97.30 0.28 0.16 2.07 92.42 5.04 0.00 0.01 0.00 57 Q H H 141.75 1.15 20.11 19.82 91.25 54.47 -70.06 -24.61 28.43 0.02 71.54 0.38 0.57 28.62 65.63 4.76 0.02 0.01 0.02 58 S C T 66.98 5.39 17.89 24.04 95.35 52.82 -89.87 -6.62 59.10 0.04 40.86 1.04 1.99 56.00 37.12 3.78 0.01 0.02 0.04 59 L C S 25.31 21.83 8.72 28.96 118.84 105.64 -79.45 142.17 99.61 0.29 0.09 12.09 87.41 0.16 0.05 0.01 0.00 0.05 0.22 60 P C C 52.65 7.18 16.07 24.99 116.45 -106.29 -65.21 152.73 99.87 0.08 0.05 98.21 1.37 0.32 0.01 0.02 0.00 0.03 0.04 61 P C T 113.50 2.17 15.34 18.62 109.87 -82.97 -59.84 137.19 99.12 0.12 0.76 1.21 4.79 93.15 0.09 0.63 0.00 0.07 0.06 62 G C T 58.72 1.83 16.77 18.69 95.17 21.10 85.60 -3.53 98.90 0.29 0.81 1.66 4.52 92.71 0.06 0.79 0.00 0.21 0.05 63 L C C 35.61 18.24 9.65 27.26 117.83 120.79 -90.42 135.73 77.81 21.06 1.13 62.06 13.55 1.88 0.16 1.16 0.00 19.52 1.68 64 A E E 59.21 4.44 21.79 26.41 118.77 -147.10 -98.34 136.79 38.43 60.87 0.70 36.43 1.54 0.54 0.16 0.46 0.00 59.86 1.00 65 V E E 46.67 20.31 11.37 30.24 124.51 -163.56 -117.07 136.71 22.86 76.89 0.25 21.82 1.09 0.15 0.09 0.13 0.00 76.14 0.59 66 K E E 108.67 4.84 19.17 25.25 124.89 -172.14 -122.96 141.33 11.78 87.91 0.31 10.79 0.86 0.17 0.12 0.15 0.00 87.49 0.42 67 E E E 115.44 7.51 13.72 22.91 114.16 -124.19 -83.29 131.66 15.41 84.37 0.22 14.77 0.61 0.14 0.10 0.10 0.00 83.35 0.94 68 L C C 72.35 11.05 9.27 20.99 113.09 -147.29 -92.07 133.15 71.24 28.51 0.25 70.71 0.42 0.21 0.07 0.09 0.00 27.86 0.64 69 K C C 158.86 1.81 14.69 17.30 111.02 -130.88 -85.81 122.91 99.64 0.36 0.00 99.62 0.07 0.02 0.00 0.00 0.00 0.27 0.01