# 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 127.55 3.47 10.31 15.43 118.07 -149.92 -94.16 139.73 99.88 0.11 0.01 99.83 0.08 0.02 0.00 0.00 0.00 0.05 0.01 1 A C C 85.98 2.31 8.00 12.13 111.58 -113.91 -78.73 136.78 93.68 5.87 0.45 91.08 1.62 1.25 0.19 0.16 0.00 2.73 2.97 2 H C C 143.89 2.26 6.95 11.19 117.06 -139.36 -97.58 133.90 93.95 5.63 0.42 69.30 24.09 0.93 0.19 0.22 0.00 2.75 2.53 3 P C C 97.66 2.88 7.57 12.42 114.17 -106.61 -67.96 148.38 92.18 3.91 3.91 78.69 7.62 5.85 1.24 2.55 0.00 2.43 1.63 4 K C C 165.56 1.21 8.52 10.86 111.90 -118.97 -81.31 136.88 87.57 5.07 7.36 65.58 13.17 8.49 2.64 4.76 0.00 2.69 2.67 5 R C C 174.71 2.04 7.54 11.36 114.53 -123.43 -90.04 133.48 84.28 6.40 9.32 57.32 18.87 8.03 4.00 5.32 0.01 3.69 2.76 6 K C C 152.67 1.85 8.55 12.09 115.77 -149.48 -96.95 136.67 83.63 6.80 9.57 59.58 17.77 6.10 5.97 3.74 0.01 3.85 2.98 7 T C C 85.13 4.54 7.91 14.32 116.39 -133.67 -92.57 138.22 87.47 5.00 7.53 69.97 14.27 2.87 6.39 1.62 0.00 2.39 2.49 8 S C C 58.18 2.98 9.81 14.41 117.43 -123.67 -80.37 160.40 84.83 2.83 12.34 74.78 7.08 2.20 12.08 1.20 0.00 1.21 1.46 9 K H H 155.37 1.38 10.48 12.69 93.44 -110.22 -62.69 -35.31 26.58 0.72 72.70 8.67 6.60 12.63 65.46 5.89 0.08 0.39 0.28 10 T H H 90.55 1.32 11.09 12.58 92.93 53.16 -67.00 -38.46 26.79 1.60 71.61 8.37 5.75 14.13 63.79 6.33 0.12 1.08 0.42 11 R H H 121.17 3.02 10.76 15.18 93.49 50.39 -68.75 -37.41 22.92 2.33 74.75 11.43 5.00 8.65 64.91 7.69 0.10 1.62 0.59 12 R H H 124.58 3.30 10.72 15.56 92.83 55.36 -65.31 -39.93 19.28 1.53 79.18 9.01 3.71 8.02 71.67 6.09 0.08 1.01 0.41 13 D H H 94.91 1.72 11.94 14.09 93.01 50.97 -67.22 -35.91 23.52 1.11 75.37 9.20 3.78 11.47 68.28 6.12 0.08 0.74 0.33 14 K H H 134.69 1.91 11.63 14.22 93.92 54.97 -71.21 -29.55 28.31 1.08 70.61 10.94 5.42 12.89 63.93 5.74 0.08 0.62 0.39 15 R H H 141.98 3.52 10.43 15.31 95.51 60.04 -77.43 -20.08 40.84 1.93 57.22 18.88 8.00 15.12 51.72 4.46 0.06 0.96 0.80 16 R C C 154.47 2.76 10.28 14.46 99.72 67.92 -82.64 -1.57 60.17 3.28 36.55 36.23 9.69 14.47 32.38 4.15 0.03 1.56 1.49 17 T C C 86.41 3.55 9.36 14.62 108.40 105.43 -93.18 74.72 73.50 2.47 24.03 44.21 12.79 15.94 19.66 5.02 0.01 1.21 1.16 18 H C C 149.61 1.86 10.00 12.92 102.33 53.22 -89.82 9.56 78.33 2.48 19.19 38.52 19.29 20.98 12.32 6.55 0.01 1.29 1.05 19 Y C C 149.12 3.94 9.04 14.85 114.09 98.20 -96.36 126.92 80.89 4.42 14.69 46.08 19.95 15.22 8.24 6.24 0.01 2.74 1.52 20 K C C 151.59 2.15 11.24 14.82 117.40 -152.09 -96.23 135.63 80.11 10.05 9.85 60.30 10.53 9.03 5.49 4.38 0.01 7.30 2.96 21 A C C 64.41 7.38 7.93 16.67 115.87 -135.42 -86.86 140.19 79.13 14.51 6.36 65.37 8.81 4.22 3.71 2.87 0.01 10.73 4.28 22 T C C 103.75 2.34 11.92 15.52 113.48 -152.79 -97.96 129.94 79.86 15.40 4.73 63.77 11.65 3.55 2.80 2.19 0.01 11.29 4.74 23 V C C 102.12 4.01 10.70 16.42 116.55 -118.24 -95.94 134.54 84.67 11.52 3.81 65.50 15.46 3.61 1.84 2.01 0.00 9.21 2.36 24 A C C 66.26 7.17 10.26 18.89 114.69 -116.24 -79.20 139.42 87.62 10.03 2.35 77.50 7.11 2.67 0.72 1.49 0.00 9.42 1.08 25 Q C C 113.66 4.12 13.92 19.53 118.87 -149.93 -106.89 138.29 73.86 24.91 1.23 63.71 7.24 1.73 0.32 0.92 0.00 24.42 1.67 26 I E E 98.97 7.41 11.91 20.92 117.70 -130.58 -95.11 134.24 44.31 55.50 0.18 41.50 2.12 0.21 0.05 0.12 0.00 55.02 0.97 27 A E E 42.18 7.60 14.22 23.65 131.66 176.81 -129.76 157.85 6.53 93.42 0.06 5.93 0.66 0.08 0.02 0.03 0.00 92.87 0.41 28 T E E 85.96 4.27 15.60 21.27 116.31 -114.67 -92.90 134.42 3.31 96.65 0.03 3.28 0.16 0.01 0.03 0.01 0.00 89.38 7.13 29 C C C 24.18 14.05 7.77 22.59 109.55 -117.67 -72.86 124.29 89.52 10.46 0.02 89.73 0.49 0.05 0.00 0.01 0.00 9.22 0.50 30 P C T 108.37 1.84 13.72 16.20 92.85 -144.47 -66.74 -24.36 99.75 0.13 0.11 1.15 8.68 89.93 0.00 0.11 0.00 0.10 0.02 31 I C T 127.07 1.83 12.49 14.93 99.57 42.26 -82.43 -39.41 99.87 0.04 0.10 0.14 3.83 95.94 0.00 0.07 0.00 0.02 0.01 32 T C T 78.61 3.03 11.66 15.91 103.02 20.23 -106.85 -16.54 99.81 0.09 0.09 0.61 5.02 94.23 0.00 0.08 0.00 0.05 0.01 33 G C C 49.79 3.26 11.61 16.60 95.85 -123.27 79.63 6.65 99.01 0.93 0.07 84.18 10.84 4.01 0.01 0.06 0.00 0.52 0.38 34 E C C 101.47 3.37 13.43 18.53 119.48 134.83 -79.60 146.79 95.62 4.35 0.02 91.23 4.39 0.13 0.00 0.01 0.00 3.92 0.31 35 A E E 64.97 6.02 15.05 22.43 114.35 -106.39 -70.86 141.39 3.84 96.14 0.02 3.76 0.17 0.02 0.01 0.01 0.00 93.60 2.43 36 H E E 52.86 13.30 12.13 26.27 131.14 -175.78 -132.99 152.91 3.48 96.51 0.01 3.37 0.14 0.01 0.00 0.00 0.00 95.76 0.71 37 L E E 74.89 6.70 17.04 24.97 115.45 -108.43 -77.23 143.62 40.48 59.27 0.26 37.61 1.83 0.42 0.05 0.20 0.00 58.67 1.23 38 Y C T 106.88 9.95 14.64 25.33 110.22 -103.62 -66.39 140.83 83.51 13.20 3.29 19.33 24.20 40.66 0.56 2.74 0.00 11.66 0.84 39 H C T 112.91 7.51 17.29 25.46 96.42 14.02 70.94 14.73 81.36 15.15 3.49 17.31 24.01 40.65 0.65 2.78 0.00 13.70 0.89 40 R C E 96.78 8.36 17.32 26.75 127.28 106.92 -112.97 148.69 51.97 44.39 3.64 34.80 14.45 4.11 1.46 2.31 0.02 39.42 3.43 41 A E E 33.24 12.94 15.26 29.18 118.96 -130.48 -98.68 137.93 31.10 66.31 2.59 23.21 6.53 2.31 1.40 1.38 0.01 62.14 3.02 42 Y E E 67.32 11.11 15.25 27.85 123.94 -163.47 -117.53 141.54 20.53 76.87 2.61 16.03 3.80 1.72 1.75 1.22 0.00 72.91 2.57 43 W E E 121.11 8.69 13.44 23.31 111.49 -144.82 -96.90 134.87 36.33 59.84 3.83 25.79 6.78 4.49 2.08 2.01 0.01 57.35 1.49 44 H C C 113.59 5.14 12.70 19.17 116.41 -121.89 -106.29 131.04 63.24 31.06 5.69 32.02 11.00 20.59 2.50 3.06 0.05 29.01 1.76 45 E C T 145.18 2.21 13.47 16.43 99.38 -23.65 -37.77 39.99 92.53 3.52 3.94 33.64 12.73 46.42 1.47 2.24 0.00 2.99 0.50 46 G C C 40.07 6.28 13.56 20.96 103.59 -40.84 90.31 0.36 87.98 9.63 2.39 37.88 17.05 33.46 0.58 1.67 0.00 8.66 0.70 47 K C E 92.65 7.18 14.41 23.13 122.09 107.76 -102.33 140.15 50.94 48.39 0.68 40.47 6.07 2.78 0.29 0.39 0.00 49.14 0.86 48 M E E 45.39 14.13 12.87 27.96 119.02 -148.40 -105.31 132.81 20.81 78.98 0.21 18.26 1.34 0.30 0.13 0.09 0.00 79.56 0.32 49 Y E E 82.54 8.07 15.95 25.87 125.63 -169.57 -121.62 140.84 2.58 97.28 0.14 2.34 0.21 0.05 0.15 0.03 0.00 96.79 0.42 50 Y E E 78.28 11.67 11.74 24.46 119.19 -171.40 -128.85 119.48 4.44 95.09 0.47 2.89 1.15 0.58 0.54 0.16 0.00 93.54 1.14 51 R C T 173.06 2.66 13.66 17.63 92.83 -16.09 53.75 41.91 98.64 0.82 0.54 1.09 3.56 94.17 0.21 0.24 0.00 0.66 0.06 52 G C T 59.33 2.05 13.16 16.02 94.84 -50.93 80.40 2.26 99.42 0.23 0.35 1.21 4.09 94.22 0.10 0.18 0.00 0.18 0.02 53 Q E E 112.66 2.57 13.82 17.89 123.01 110.42 -109.37 139.77 5.87 93.89 0.23 3.84 1.80 0.40 0.20 0.09 0.00 91.53 2.12 54 V E E 76.81 8.22 11.73 21.64 110.47 -116.46 -75.08 126.01 6.26 93.61 0.13 5.72 0.43 0.08 0.07 0.05 0.00 92.16 1.49 55 V C E 64.25 8.29 14.15 24.01 100.89 175.53 -95.94 -27.78 52.38 45.57 2.05 34.99 13.84 3.29 0.88 1.07 0.00 45.06 0.87 56 I C E 62.46 10.19 11.97 23.36 126.35 30.39 -127.46 136.74 58.39 37.21 4.40 32.42 20.76 6.86 2.05 2.37 0.02 32.94 2.58 57 D C C 91.41 4.47 13.54 19.43 112.80 -148.81 -96.56 122.05 80.32 15.20 4.48 71.16 6.20 2.47 2.01 2.25 0.00 14.03 1.89 58 K C C 131.64 5.90 10.76 18.17 98.66 -152.39 -75.62 -8.47 60.70 4.27 35.03 29.99 12.78 18.70 13.45 21.03 0.05 2.74 1.26 59 S C C 81.94 2.55 11.30 15.03 98.42 78.34 -78.45 -10.77 58.93 3.92 37.15 23.57 14.58 21.87 14.50 21.71 0.11 2.26 1.40 60 E C C 125.92 3.58 10.58 15.71 102.04 63.75 -85.90 1.04 56.61 5.58 37.81 31.48 12.99 13.15 14.91 22.26 0.05 3.60 1.55 61 A C C 65.56 6.25 8.78 16.57 112.34 98.04 -85.81 125.04 64.03 10.14 25.83 43.24 11.57 8.96 16.21 10.18 0.05 6.74 3.04 62 V C C 104.42 3.66 8.96 14.50 113.11 -152.63 -95.30 127.06 75.26 11.54 13.20 67.16 2.21 5.42 10.53 2.78 0.00 6.83 5.06 63 A C C 78.24 4.07 11.26 16.90 110.69 -117.83 -80.40 134.38 99.71 0.20 0.09 99.59 0.10 0.10 0.07 0.01 0.00 0.12 0.02