# 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 104.68 7.50 11.66 20.47 119.22 -169.13 -106.70 135.58 99.82 0.18 0.00 99.84 0.04 0.01 0.00 0.00 0.00 0.10 0.01 1 T C C 92.95 3.27 11.68 16.51 116.27 -151.08 -102.65 135.45 75.45 23.62 0.93 72.06 1.19 1.99 0.33 0.47 0.00 20.99 2.97 2 F C C 125.33 7.11 8.96 17.51 117.44 -151.65 -100.99 131.54 60.87 37.92 1.22 43.73 13.70 3.32 0.43 1.01 0.00 30.89 6.92 3 E C C 116.60 4.00 13.17 18.87 121.12 -166.71 -112.71 135.88 66.68 32.63 0.69 54.02 11.03 1.24 0.25 0.54 0.00 29.36 3.57 4 R C C 138.05 6.78 13.45 21.82 113.96 -114.14 -76.83 137.41 77.96 21.23 0.81 70.31 5.42 1.31 0.23 0.58 0.00 20.04 2.11 5 R C C 93.49 11.46 13.32 25.48 120.95 -156.75 -105.16 138.20 81.60 17.73 0.67 70.54 8.99 1.36 0.21 0.50 0.00 14.92 3.47 6 I E B 94.34 5.91 17.95 24.79 120.03 -136.58 -100.76 137.90 44.09 55.30 0.62 37.58 3.42 0.37 0.44 0.20 0.00 16.58 41.41 7 C C C 23.28 15.49 10.01 26.18 112.15 -121.20 -80.64 131.32 77.12 22.43 0.45 70.59 4.92 0.65 0.24 0.23 0.00 13.03 10.34 8 S C T 69.95 4.64 15.71 21.46 95.33 -152.00 -70.89 -28.54 93.06 4.95 1.99 17.62 24.96 50.57 0.31 1.67 0.00 2.83 2.05 9 L C T 107.68 4.97 13.97 19.49 95.98 50.28 -75.76 -35.99 98.62 0.44 0.95 1.35 10.93 86.40 0.05 0.86 0.00 0.25 0.16 10 G C T 37.79 5.04 13.00 19.43 100.38 29.64 -98.36 -10.19 98.64 0.53 0.83 3.36 12.96 82.23 0.05 0.91 0.00 0.33 0.17 11 K C C 150.24 3.44 13.21 18.44 94.54 -126.09 62.69 30.04 96.53 2.91 0.56 54.34 31.65 10.52 0.09 0.60 0.00 1.49 1.31 12 T C C 70.14 4.60 14.32 20.72 125.49 126.41 -112.21 146.99 88.84 11.07 0.09 64.31 24.81 0.61 0.02 0.09 0.00 8.29 1.87 13 P E B 86.85 5.74 15.51 22.57 112.32 -103.08 -67.77 142.01 32.66 67.09 0.25 27.53 2.96 0.20 0.19 0.08 0.00 25.43 43.60 14 I C C 43.51 16.16 9.49 25.40 119.14 -143.61 -102.92 135.74 65.77 33.96 0.27 59.49 4.87 0.38 0.13 0.17 0.00 23.42 11.53 15 A C C 60.60 3.42 17.17 20.85 118.56 -121.76 -79.05 158.05 87.42 11.88 0.70 79.25 6.47 1.50 0.21 0.53 0.00 7.98 4.05 16 S C T 79.12 5.53 11.19 18.50 95.07 -104.06 -61.46 -27.38 92.30 1.78 5.92 10.73 19.66 61.45 0.74 5.60 0.00 1.11 0.71 17 S C T 95.75 0.98 14.98 15.12 95.14 50.40 -84.21 0.32 92.09 1.65 6.26 10.68 18.32 62.49 0.70 6.14 0.00 1.04 0.62 18 D C C 58.79 10.37 11.02 22.42 112.50 103.91 -89.67 131.24 84.27 6.34 9.40 42.73 32.03 9.47 1.88 7.29 0.01 2.75 3.85 19 K C C 132.08 5.98 15.77 22.88 100.05 -146.58 -82.78 17.83 77.23 9.23 13.54 45.98 16.27 14.97 1.99 12.01 0.01 5.45 3.32 20 A C C 39.12 11.43 14.78 27.06 113.36 124.98 -83.39 140.71 76.31 10.34 13.35 37.52 25.71 13.97 1.32 12.11 0.01 7.93 1.42 21 S C C 46.95 10.17 17.91 28.70 116.49 -113.98 -89.79 139.91 52.95 37.56 9.50 38.34 9.37 5.86 1.09 8.06 0.01 36.16 1.10 22 V E E 35.83 16.45 15.54 32.18 126.07 -168.96 -124.61 139.12 9.97 89.78 0.25 8.89 1.06 0.17 0.09 0.14 0.00 89.06 0.59 23 Q E E 90.69 7.75 20.65 29.22 118.29 -143.87 -104.87 131.35 2.45 97.52 0.02 2.36 0.12 0.01 0.01 0.01 0.00 97.27 0.21 24 I E E 35.57 18.03 14.80 32.73 123.51 -168.21 -115.64 134.46 4.38 95.61 0.01 4.24 0.16 0.01 0.00 0.01 0.00 95.45 0.12 25 V E E 61.23 8.27 21.22 30.37 119.13 -153.00 -107.32 130.09 6.05 93.94 0.01 5.57 0.39 0.03 0.00 0.01 0.00 93.79 0.20 26 L E E 41.27 16.08 15.93 32.15 119.18 -162.11 -107.39 131.46 6.99 92.99 0.02 6.27 0.54 0.03 0.00 0.01 0.00 92.92 0.22 27 A E E 22.81 12.40 16.90 30.66 130.02 -165.06 -125.87 154.68 6.21 93.78 0.01 5.61 0.38 0.01 0.00 0.00 0.00 93.81 0.17 28 V E E 73.38 6.80 19.42 27.19 117.08 -126.56 -97.86 131.47 3.33 96.67 0.00 2.91 0.23 0.01 0.00 0.00 0.00 96.72 0.14 29 L E E 49.91 13.70 10.32 24.65 121.95 -152.89 -109.35 140.76 5.09 94.90 0.01 4.85 0.22 0.01 0.01 0.00 0.00 88.50 6.41 30 D C C 61.98 3.75 13.54 18.71 125.02 -130.72 -83.11 176.36 96.68 3.30 0.02 97.17 0.25 0.03 0.00 0.00 0.00 2.25 0.29 31 Q C T 158.08 1.24 10.84 12.88 90.58 -88.73 -63.60 -19.53 99.68 0.16 0.17 0.21 2.89 96.63 0.00 0.15 0.00 0.10 0.02 32 Y C T 186.11 0.64 12.53 11.77 93.02 53.98 -90.70 1.84 99.82 0.05 0.13 0.15 3.02 96.67 0.00 0.12 0.00 0.02 0.01 33 G C S 33.53 9.08 10.02 20.36 96.29 -105.39 84.50 7.48 99.40 0.40 0.20 18.67 80.00 0.86 0.02 0.14 0.00 0.18 0.14 34 Q C C 101.90 2.57 15.30 18.82 118.08 137.89 -84.74 141.49 90.00 9.94 0.05 87.39 3.33 0.14 0.02 0.03 0.00 5.39 3.70 35 V E E 65.11 12.94 9.61 22.84 111.08 -112.68 -74.27 130.67 2.85 97.14 0.01 2.73 0.13 0.01 0.02 0.00 0.00 69.82 27.29 36 T E E 78.25 4.39 14.86 20.39 103.41 -174.07 -102.25 -4.30 34.57 65.36 0.07 29.33 3.38 0.46 0.01 0.07 0.00 66.26 0.47 37 G E E 50.31 3.52 14.45 18.92 100.62 -90.32 85.41 -0.17 48.67 51.11 0.21 15.65 29.21 3.23 0.01 0.21 0.00 51.31 0.38 38 E C E 116.89 3.78 15.38 20.40 119.16 102.78 -98.73 139.99 50.77 48.93 0.30 29.08 18.59 2.29 0.02 0.31 0.00 49.35 0.37 39 T E E 66.41 12.83 12.00 24.95 124.75 -160.76 -120.48 138.26 24.45 75.47 0.08 19.36 4.25 0.34 0.01 0.07 0.00 75.67 0.30 40 T E E 55.68 8.99 17.24 27.45 125.96 -173.28 -122.82 140.22 3.43 96.56 0.00 3.17 0.13 0.01 0.00 0.00 0.00 96.60 0.09 41 I E E 83.71 11.10 17.61 29.28 120.33 -147.46 -106.54 131.43 0.76 99.24 0.00 0.74 0.01 0.00 0.00 0.00 0.00 99.21 0.03 42 Y E E 41.84 15.88 17.34 33.77 130.14 -174.02 -128.80 146.88 0.94 99.05 0.00 0.88 0.02 0.00 0.00 0.00 0.00 99.06 0.04 43 D E E 54.65 11.67 23.24 35.07 115.93 -130.20 -96.88 130.25 4.82 95.18 0.00 4.21 0.25 0.01 0.00 0.00 0.00 95.47 0.06 44 I E E 13.67 21.43 19.20 40.39 123.67 -169.30 -118.06 137.32 20.48 79.49 0.04 19.89 0.49 0.03 0.02 0.01 0.00 77.71 1.86 45 G C C 11.07 14.12 20.93 35.58 125.56 -137.64 -91.26 167.46 82.57 17.14 0.29 80.84 1.96 0.15 0.22 0.07 0.00 15.67 1.10 46 G H H 27.01 10.35 19.98 30.90 93.19 -95.99 -59.49 -42.43 4.39 0.02 95.59 0.55 0.94 2.70 95.08 0.70 0.01 0.01 0.01 47 T H H 65.25 4.62 22.19 27.01 91.64 51.47 -64.57 -40.40 1.05 0.00 98.94 0.11 0.10 0.75 98.44 0.59 0.00 0.00 0.00 48 V H H 14.12 16.80 15.11 32.68 92.10 50.33 -65.25 -41.99 0.50 0.00 99.50 0.08 0.04 0.31 98.70 0.86 0.00 0.00 0.00 49 R H H 77.79 14.39 14.61 28.81 91.65 51.61 -62.90 -41.72 0.69 0.00 99.30 0.08 0.04 0.47 98.74 0.67 0.00 0.00 0.00 50 R H H 172.64 1.58 17.54 19.00 90.76 52.04 -65.36 -32.31 7.21 0.01 92.78 0.17 0.23 6.96 91.99 0.64 0.01 0.00 0.00 51 A C T 69.40 3.46 14.98 19.44 92.69 53.14 -85.36 -4.89 74.28 0.03 25.69 0.29 1.17 72.15 25.76 0.60 0.00 0.00 0.03 52 G C T 50.02 4.06 15.79 21.11 95.08 -111.14 80.52 9.01 99.30 0.03 0.67 1.32 2.82 95.26 0.50 0.09 0.00 0.01 0.01 53 M C C 86.91 7.33 16.74 25.26 99.80 119.66 -93.61 1.81 95.39 0.58 4.03 78.46 13.02 3.55 3.60 0.64 0.00 0.19 0.54 54 G C C 13.09 16.98 13.58 30.39 95.65 89.47 -67.29 -34.69 73.11 0.44 26.45 58.36 7.63 5.26 26.80 1.55 0.00 0.14 0.27 55 D H H 73.28 9.00 18.67 27.87 93.62 67.50 -65.37 -40.79 9.90 0.07 90.03 4.84 1.90 3.39 88.19 1.63 0.00 0.03 0.03 56 E H H 122.72 1.92 22.01 22.58 92.37 50.12 -66.25 -40.29 2.70 0.02 97.28 0.89 0.34 1.39 95.60 1.76 0.00 0.01 0.01 57 L H H 52.91 8.42 18.54 28.22 92.29 50.45 -65.35 -42.10 1.29 0.01 98.70 0.42 0.14 0.66 97.23 1.54 0.00 0.01 0.00 58 L H H 23.73 17.95 15.79 33.74 91.95 50.45 -64.19 -42.77 0.73 0.01 99.26 0.20 0.07 0.39 98.89 0.43 0.00 0.00 0.00 59 L H H 73.74 6.66 19.33 26.79 91.58 50.77 -63.50 -41.54 0.76 0.01 99.24 0.20 0.07 0.42 99.07 0.24 0.00 0.00 0.00 60 E H H 98.54 2.55 20.63 22.38 91.76 50.10 -64.33 -41.89 0.81 0.01 99.19 0.21 0.07 0.45 99.00 0.27 0.00 0.00 0.00 61 K H H 61.25 9.66 16.92 27.83 92.12 49.75 -65.35 -41.18 1.06 0.01 98.93 0.24 0.09 0.65 98.55 0.45 0.00 0.01 0.00 62 I H H 37.39 12.52 13.40 27.11 92.37 49.69 -65.26 -41.12 2.29 0.04 97.68 0.50 0.21 1.46 97.02 0.78 0.00 0.02 0.01 63 R H H 146.70 2.40 16.22 18.91 92.66 50.67 -65.88 -39.01 6.48 0.05 93.47 0.89 0.52 4.84 92.73 0.95 0.02 0.02 0.02 64 M H H 117.54 2.46 14.63 17.48 94.18 49.96 -70.09 -33.05 15.78 0.09 84.13 1.58 1.63 12.39 83.28 1.01 0.03 0.03 0.05 65 E C T 92.48 7.28 11.40 19.94 99.08 50.47 -83.75 -7.83 63.63 0.52 35.85 6.80 10.89 43.97 35.69 2.10 0.03 0.18 0.34 66 E C T 142.35 2.53 13.43 16.88 98.32 -118.81 -19.10 19.84 75.77 0.72 23.51 12.82 8.42 53.33 20.72 3.96 0.01 0.33 0.41 67 Y C T 114.97 8.42 9.37 18.73 100.92 108.15 -84.33 11.22 79.98 2.09 17.93 24.43 14.15 42.00 11.72 5.59 0.03 0.96 1.13 68 G C C 52.40 3.06 12.40 16.76 103.94 -75.36 79.02 5.47 88.46 1.55 9.99 49.84 4.23 35.31 6.19 2.79 0.00 0.89 0.75 69 A C C 67.55 5.94 12.09 19.45 106.53 102.44 -83.09 76.36 99.93 0.05 0.02 99.86 0.07 0.04 0.01 0.00 0.00 0.03 0.01