# 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 G C C 47.18 4.68 12.36 18.68 119.85 -153.46 -80.80 174.12 99.87 0.12 0.01 99.67 0.18 0.07 0.00 0.00 0.00 0.06 0.02 1 K C C 159.24 1.85 10.87 14.13 112.01 -87.44 -93.37 127.10 94.09 3.67 2.23 79.88 3.60 10.61 0.86 1.13 0.00 2.06 1.85 2 G C C 50.49 3.58 9.45 14.82 118.35 -90.24 97.02 172.95 92.82 4.34 2.83 46.88 30.27 16.05 0.79 1.94 0.00 2.12 1.95 3 T C C 90.12 3.74 9.96 15.40 117.24 -80.73 -95.85 140.66 90.08 5.44 4.48 63.01 23.56 3.29 2.31 2.04 0.00 2.21 3.56 4 P C C 97.90 3.59 10.81 16.08 105.74 -117.42 -70.82 140.88 70.73 3.44 25.83 44.04 10.45 16.28 7.98 17.87 0.01 2.04 1.33 5 S C C 77.74 3.92 10.50 15.93 106.69 -109.70 -88.35 35.42 64.08 4.39 31.53 31.41 12.70 20.99 10.78 19.83 0.06 2.41 1.81 6 F C C 124.21 5.88 10.33 17.59 107.77 59.19 -94.15 51.26 57.94 5.79 36.27 26.96 14.15 18.36 14.53 20.16 0.23 2.89 2.73 7 G C C 39.38 5.75 11.54 18.77 118.81 -141.49 98.43 -160.75 64.75 4.74 30.51 33.41 15.10 17.26 15.24 14.27 0.08 2.37 2.27 8 K C C 147.33 2.49 12.75 16.30 107.60 -52.54 -85.02 92.94 62.02 5.84 32.13 30.50 15.60 17.19 15.98 14.95 0.15 3.02 2.61 9 R C C 145.74 4.42 10.80 16.94 110.48 69.60 -86.30 122.37 63.49 6.32 30.19 33.52 14.96 16.06 14.66 14.51 0.13 3.27 2.89 10 H C C 119.75 5.86 10.65 17.98 106.19 -147.91 -91.40 59.38 72.92 4.99 22.09 39.75 15.25 18.43 10.86 10.65 0.04 2.54 2.48 11 N C C 101.25 4.46 12.33 18.29 110.56 58.55 -98.17 97.21 81.60 3.75 14.64 40.82 20.08 21.58 5.75 8.05 0.02 1.82 1.88 12 K C C 127.90 5.92 12.05 19.45 105.99 -156.64 -86.86 49.54 84.06 5.08 10.86 39.01 25.84 20.27 3.32 6.72 0.02 2.55 2.27 13 S C C 68.88 5.33 14.35 20.89 105.38 107.19 -90.70 4.01 85.70 7.77 6.52 48.06 23.28 14.85 1.51 4.95 0.00 4.79 2.57 14 H C C 85.00 10.85 14.17 25.68 118.46 79.32 -105.04 133.58 79.89 17.65 2.46 60.15 14.71 4.70 0.55 2.01 0.00 15.37 2.52 15 T C C 48.33 11.19 17.07 29.24 122.34 -161.99 -111.75 136.97 55.96 43.05 0.98 45.27 8.86 1.68 0.27 0.75 0.00 40.90 2.28 16 L E B 72.98 9.20 19.35 29.25 119.29 -139.93 -97.53 136.60 9.65 90.21 0.14 7.52 0.63 0.03 0.15 0.03 0.00 40.62 51.02 17 C C C 11.79 18.98 11.17 30.82 109.68 -115.20 -73.06 126.31 84.69 15.25 0.05 85.73 0.49 0.06 0.01 0.02 0.00 11.42 2.27 18 N C T 101.92 4.68 17.67 23.67 93.67 -153.72 -70.04 -26.08 99.70 0.10 0.20 0.48 3.01 96.26 0.00 0.17 0.00 0.06 0.02 19 R C T 134.10 4.97 16.38 22.50 99.64 45.01 -82.75 -40.45 99.79 0.03 0.18 0.05 1.44 98.38 0.00 0.12 0.00 0.01 0.01 20 C C T 58.57 6.87 14.42 22.85 102.16 20.01 -108.70 -12.99 99.84 0.03 0.13 0.14 1.85 97.89 0.00 0.10 0.00 0.02 0.00 21 G C C 42.52 5.05 16.06 22.44 94.73 -118.57 82.01 6.42 99.10 0.81 0.09 82.10 9.60 7.38 0.02 0.08 0.00 0.44 0.39 22 R C C 94.88 8.40 15.35 25.37 119.40 137.64 -78.27 146.55 90.68 9.29 0.03 85.49 5.37 0.14 0.01 0.02 0.00 7.27 1.70 23 R E E 119.20 9.28 19.22 29.07 117.84 -129.20 -99.63 134.39 11.27 88.69 0.03 10.45 0.58 0.02 0.03 0.01 0.00 53.86 35.04 24 S E E 19.39 15.85 18.06 34.17 134.28 149.41 -136.30 158.53 45.52 54.44 0.04 41.34 3.20 0.08 0.01 0.03 0.00 54.88 0.45 25 F E E 49.05 13.20 18.88 33.14 128.19 -148.70 -126.56 145.14 16.31 83.56 0.12 13.94 2.43 0.21 0.04 0.10 0.00 71.88 11.39 26 H E E 49.04 10.76 17.50 29.93 109.98 -120.10 -82.87 122.40 19.29 80.52 0.19 17.67 0.79 0.12 0.12 0.09 0.00 65.23 15.97 27 V C T 63.66 11.90 14.46 27.19 94.49 -152.91 -68.35 -31.23 91.17 2.99 5.84 4.88 8.69 76.72 0.33 6.41 0.00 2.49 0.48 28 Q C T 127.10 2.42 16.84 19.31 97.25 48.19 -77.52 -34.81 91.96 2.21 5.83 3.19 8.22 79.98 0.78 5.76 0.00 1.54 0.52 29 K C T 109.63 4.52 17.15 22.02 105.55 20.14 -111.24 16.06 94.50 0.62 4.89 5.64 7.63 80.11 0.70 5.29 0.00 0.45 0.17 30 K C T 97.84 11.87 15.42 27.60 97.21 -129.85 46.13 44.48 97.70 1.94 0.36 9.34 8.25 80.06 0.03 0.37 0.00 1.82 0.13 31 T E E 49.04 7.65 21.36 30.16 134.09 114.71 -130.11 156.45 3.85 96.13 0.02 3.22 0.55 0.04 0.01 0.01 0.00 61.40 34.77 32 C E E 11.68 19.93 13.38 33.97 111.42 -108.38 -74.74 131.27 28.68 71.30 0.02 29.35 0.31 0.02 0.01 0.01 0.00 59.87 10.42 33 S C T 54.92 8.46 18.80 28.36 93.97 -146.65 -69.43 -27.80 99.72 0.13 0.15 0.51 2.12 97.14 0.00 0.12 0.00 0.08 0.02 34 S C T 66.87 5.91 19.15 25.81 98.60 47.02 -80.94 -38.18 99.83 0.03 0.15 0.04 0.87 98.99 0.00 0.09 0.00 0.01 0.00 35 C C T 54.85 8.45 16.64 26.30 102.80 19.39 -109.28 -10.68 99.80 0.04 0.16 0.11 1.50 98.27 0.00 0.09 0.00 0.02 0.01 36 G C C 36.28 7.38 17.78 26.24 95.55 -116.95 82.17 6.83 98.47 1.43 0.10 81.32 10.83 6.35 0.03 0.06 0.00 0.60 0.81 37 Y C C 66.36 12.02 14.56 27.91 116.89 142.38 -76.81 141.60 91.92 7.92 0.15 83.11 8.94 0.19 0.11 0.06 0.00 5.23 2.34 38 P E B 64.46 7.24 20.00 27.80 113.70 -103.65 -67.05 149.79 17.63 81.32 1.05 12.98 1.35 0.37 0.70 0.30 0.01 18.94 65.36 39 A C C 39.42 13.22 14.03 27.63 113.00 -105.23 -70.86 145.13 78.18 5.25 16.58 66.22 7.44 4.54 4.65 12.15 0.00 3.75 1.24 40 A C C 52.34 10.21 13.69 24.72 107.29 -122.51 -73.94 133.16 60.40 4.25 35.34 38.68 10.73 11.31 9.94 25.32 0.01 2.61 1.40 41 K C C 143.31 3.02 14.87 18.95 105.13 17.47 -82.89 43.49 54.14 8.29 37.57 28.43 12.93 14.17 11.89 24.75 0.07 5.07 2.69 42 T C C 82.48 5.76 11.87 19.02 108.31 57.12 -91.10 83.64 58.89 11.69 29.42 35.64 12.54 10.92 12.32 17.14 0.08 7.13 4.24 43 R C C 132.25 6.98 10.23 18.54 110.51 103.14 -91.51 113.47 78.03 9.27 12.70 52.80 15.14 9.53 8.10 4.91 0.02 5.85 3.65 44 S C C 78.81 3.19 12.32 16.87 112.63 123.73 -97.66 123.46 83.00 7.22 9.77 48.20 21.69 13.18 6.16 3.74 0.01 4.40 2.63 45 Y C S 141.38 5.35 10.71 17.54 109.84 53.49 -93.85 99.68 79.17 3.81 17.02 28.99 29.51 20.85 13.09 3.84 0.04 2.00 1.67 46 N C C 110.59 3.36 12.86 17.49 102.20 -93.89 -80.01 46.92 72.18 2.70 25.12 31.79 18.82 22.10 20.42 4.36 0.04 1.26 1.20 47 W C H 128.37 7.48 11.27 20.00 98.86 130.62 -82.05 -11.34 52.15 1.87 45.98 23.34 9.68 19.95 40.81 4.42 0.05 0.92 0.82 48 G H H 29.41 6.50 13.29 21.42 101.13 64.15 -66.17 -52.45 35.61 1.17 63.22 19.69 7.46 10.24 57.72 3.85 0.03 0.58 0.45 49 A H H 62.53 2.94 15.56 18.98 93.69 48.60 -65.41 -39.46 10.75 0.57 88.68 5.06 2.40 4.57 83.43 3.97 0.05 0.38 0.14 50 K H H 103.77 4.20 15.60 20.83 92.81 51.53 -66.61 -39.02 8.12 0.76 91.12 3.74 1.47 3.91 85.73 4.34 0.05 0.63 0.13 51 A H H 29.92 9.22 12.26 23.41 92.59 52.57 -65.28 -39.79 8.19 0.77 91.04 3.89 1.43 3.81 85.37 4.66 0.04 0.66 0.13 52 K H H 119.67 3.26 16.24 20.21 92.70 52.09 -66.33 -38.96 12.19 0.90 86.91 4.75 2.10 6.43 81.48 4.29 0.08 0.66 0.21 53 R H H 137.92 2.60 15.70 18.69 93.52 51.30 -68.06 -36.63 20.44 1.09 78.47 7.20 3.59 10.99 73.47 3.62 0.12 0.65 0.37 54 R H H 111.96 7.67 13.06 21.92 95.16 56.79 -70.32 -31.71 31.55 1.80 66.64 16.51 5.58 11.01 61.75 3.42 0.06 0.96 0.70 55 H H H 116.48 5.70 14.02 20.79 97.22 58.93 -77.09 -21.41 40.89 1.95 57.16 22.15 6.59 12.94 53.03 3.50 0.04 1.02 0.73 56 T C H 83.81 4.22 14.36 19.51 101.72 56.88 -86.41 -25.46 49.62 2.19 48.19 20.44 11.69 18.41 43.87 3.52 0.11 1.04 0.92 57 T C H 80.38 4.82 14.09 19.90 102.52 45.74 -91.44 -10.13 63.35 1.89 34.76 21.49 18.41 23.26 32.09 2.99 0.07 0.77 0.93 58 G C C 37.49 6.50 13.33 21.21 111.30 -122.57 77.14 -3.42 83.20 1.43 15.37 37.50 24.08 21.63 12.10 3.32 0.01 0.63 0.73 59 T C C 77.91 5.03 14.49 20.43 103.61 36.47 -85.63 -10.27 66.96 1.85 31.19 34.11 17.93 14.72 27.39 4.12 0.03 0.78 0.91 60 G H H 34.06 6.07 15.02 22.30 100.57 51.70 -20.07 -40.73 48.38 1.62 50.00 22.65 13.92 13.43 42.98 5.54 0.06 0.77 0.65 61 R H H 117.52 6.34 14.66 22.03 94.31 54.64 -67.37 -36.49 29.41 1.53 69.06 16.91 5.63 8.68 60.14 7.19 0.04 0.94 0.47 62 M H H 92.07 5.57 14.66 21.38 93.61 54.49 -68.44 -33.35 18.30 1.25 80.45 11.05 2.99 5.53 70.47 8.73 0.03 0.92 0.28 63 R H H 132.26 3.01 16.27 19.74 92.54 56.37 -65.41 -38.98 13.22 0.91 85.87 6.42 2.23 5.35 76.48 8.58 0.04 0.70 0.19 64 Y H H 106.64 5.62 14.93 21.78 92.72 50.89 -65.86 -39.61 11.45 0.67 87.88 4.92 1.76 5.21 79.05 8.36 0.03 0.53 0.13 65 L H H 75.29 7.12 13.85 22.36 92.56 53.44 -65.18 -37.37 9.45 0.41 90.15 4.00 1.43 4.24 82.83 7.10 0.02 0.28 0.09 66 K H H 121.12 2.89 16.11 19.47 92.48 53.48 -66.77 -36.59 15.14 0.45 84.41 4.08 1.87 9.17 78.92 5.50 0.05 0.29 0.13 67 H H H 103.46 3.33 15.98 19.84 93.79 49.31 -70.15 -36.39 18.09 0.61 81.30 4.81 2.79 11.08 76.46 4.18 0.09 0.37 0.20 68 V H H 59.16 6.54 13.30 21.60 93.28 52.92 -64.92 -42.13 14.23 0.74 85.02 8.41 2.94 3.89 81.10 3.04 0.02 0.42 0.18 69 S H H 52.68 4.47 13.99 19.90 92.26 52.07 -64.15 -39.16 11.37 0.69 87.94 7.13 1.31 3.55 82.47 4.86 0.01 0.54 0.12 70 R H H 135.44 2.25 14.58 17.08 92.58 51.97 -65.95 -38.62 8.03 0.53 91.44 2.99 1.22 4.12 82.95 8.15 0.04 0.43 0.10 71 R H H 128.81 3.50 13.33 17.98 93.22 51.25 -67.76 -38.13 9.41 0.57 90.02 3.11 1.42 5.16 82.09 7.63 0.05 0.43 0.12 72 F H H 111.39 5.20 11.19 17.82 96.43 48.39 -80.91 -27.13 19.18 1.01 79.81 6.84 3.00 9.93 72.28 6.89 0.09 0.63 0.34 73 K H H 140.30 2.44 12.25 15.54 96.81 62.57 -72.37 -30.26 32.84 1.47 65.69 9.58 5.86 18.66 59.47 4.82 0.16 0.75 0.69 74 N C H 110.21 2.27 12.34 15.25 99.07 39.94 -89.22 3.76 55.37 1.00 43.62 9.89 9.82 35.67 38.28 5.18 0.11 0.45 0.59 75 G C T 45.92 4.30 11.56 17.33 100.28 -99.50 76.66 3.99 67.24 1.38 31.38 19.23 12.27 35.97 21.54 9.51 0.05 0.68 0.75 76 F C C 126.28 5.13 11.01 17.61 104.28 92.79 -83.02 22.18 61.96 5.73 32.32 29.90 12.29 20.77 19.75 11.50 0.11 3.29 2.40 77 Q C C 111.55 4.58 10.22 16.50 110.09 107.90 -91.71 110.62 64.21 8.21 27.58 34.85 12.61 17.45 17.80 9.21 0.12 4.97 2.99 78 T C T 101.60 2.55 10.60 14.79 111.94 124.92 -96.84 127.20 73.54 4.87 21.59 24.81 16.78 32.53 14.08 6.94 0.10 2.92 1.84 79 G C T 57.40 1.85 11.25 14.01 109.93 12.40 87.82 -19.09 84.84 2.33 12.83 24.84 24.41 36.43 6.54 5.49 0.02 1.25 1.03 80 S C C 76.16 3.29 9.83 14.78 114.92 108.09 -91.82 135.09 79.80 4.78 15.42 47.45 21.18 11.37 8.87 6.32 0.01 2.54 2.26 81 A C C 78.93 3.31 8.96 14.11 111.08 -116.67 -78.77 133.50 71.93 7.23 20.84 43.88 15.96 12.59 10.90 9.51 0.03 4.39 2.73 82 S C C 85.72 2.55 8.34 12.68 109.88 -117.15 -81.67 124.91 75.70 6.07 18.23 46.62 14.88 14.73 8.89 8.89 0.02 3.82 2.15 83 K C C 158.79 1.70 9.20 12.36 112.34 -121.21 -90.70 125.25 85.05 3.58 11.38 74.84 2.27 9.18 6.06 3.88 0.00 2.33 1.45 84 A C C 78.90 3.98 9.62 15.46 111.69 -117.76 -79.81 135.59 99.85 0.09 0.05 99.73 0.10 0.08 0.02 0.00 0.00 0.05 0.01