# 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 114.53 6.18 12.55 20.24 114.73 -163.42 -95.28 130.61 99.93 0.06 0.01 99.89 0.05 0.02 0.00 0.00 0.00 0.03 0.00 1 S C C 72.44 5.16 10.98 17.95 115.49 -150.04 -90.78 141.49 90.37 5.00 4.64 85.60 1.21 4.31 2.61 1.41 0.00 3.01 1.86 2 K C C 141.89 3.72 11.76 17.31 111.41 -139.33 -91.91 129.44 84.46 7.61 7.93 59.46 16.28 8.51 4.66 3.41 0.00 4.61 3.07 3 A C C 63.55 7.32 11.17 19.81 110.30 -128.12 -81.78 133.81 84.68 4.16 11.17 55.90 17.43 11.45 6.78 4.36 0.00 2.46 1.61 4 G C C 38.88 7.70 13.51 22.13 116.31 -112.97 -88.97 162.89 84.98 1.36 13.66 60.49 14.27 9.82 10.44 3.62 0.00 0.62 0.74 5 A H H 57.17 8.20 13.38 22.61 112.21 -73.76 -78.82 146.63 46.28 0.52 53.20 25.71 11.22 9.97 46.22 6.39 0.01 0.21 0.28 6 P H H 77.72 5.06 15.10 21.14 101.88 -67.57 -69.29 -3.26 33.37 0.48 66.15 13.72 5.50 14.27 53.93 12.07 0.03 0.25 0.24 7 D H H 67.89 7.38 17.13 25.35 101.66 21.47 -76.99 29.05 21.72 0.65 77.63 8.88 3.13 9.22 60.30 17.84 0.03 0.39 0.23 8 L H H 18.48 22.45 11.49 32.70 94.02 60.72 -66.20 -32.60 10.06 0.21 89.73 3.33 1.35 4.69 68.91 21.52 0.01 0.13 0.06 9 K H H 120.88 6.66 17.27 25.38 91.53 65.87 -62.46 -33.18 8.28 0.13 91.59 1.53 0.82 4.92 62.62 29.97 0.02 0.07 0.04 10 K H H 135.59 2.44 20.18 22.50 91.49 58.99 -69.70 -23.08 17.26 0.10 82.64 1.20 1.14 13.16 52.80 31.57 0.03 0.06 0.04 11 Y H H 37.48 17.59 13.64 31.36 98.11 45.05 -102.34 -2.78 37.79 0.36 61.85 2.53 2.36 31.23 36.90 26.49 0.07 0.20 0.23 12 L C T 51.33 15.96 13.41 29.26 109.45 114.05 -66.66 134.37 95.16 1.41 3.43 1.43 2.60 92.01 1.65 0.98 0.00 0.70 0.63 13 D C T 108.70 3.20 20.55 24.21 94.53 16.21 68.67 11.07 98.36 0.80 0.84 0.78 3.72 94.20 0.14 0.43 0.00 0.68 0.06 14 R C S 98.45 8.45 17.61 27.26 126.71 106.27 -103.22 154.53 95.89 4.01 0.11 46.89 48.20 0.75 0.02 0.07 0.00 3.88 0.20 15 Q E E 95.50 7.97 20.36 29.03 113.58 -109.37 -78.80 133.28 10.37 89.59 0.04 10.51 0.28 0.03 0.01 0.02 0.00 88.33 0.82 16 V E E 8.40 22.58 15.03 37.80 132.75 -176.49 -132.71 151.72 1.52 98.48 0.00 1.41 0.05 0.00 0.00 0.00 0.00 98.51 0.03 17 F E E 62.55 10.08 24.77 35.65 118.60 -135.73 -106.91 131.54 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.01 18 V E E 6.25 23.80 17.33 41.56 122.85 -167.62 -118.47 133.30 0.25 99.75 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.77 0.00 19 Q E E 69.86 8.18 22.81 31.69 113.87 -144.65 -98.60 121.67 1.75 98.24 0.01 1.53 0.06 0.01 0.00 0.00 0.00 98.36 0.03 20 L E E 24.81 18.79 12.54 30.91 119.04 -172.56 -109.24 142.40 21.85 77.69 0.46 16.81 3.51 1.01 0.07 0.36 0.00 77.85 0.39 21 N C T 92.20 6.53 15.25 22.71 103.04 -25.53 10.42 71.18 63.03 28.55 8.42 6.26 14.20 45.73 0.36 7.89 0.01 24.35 1.19 22 G C T 59.65 1.73 14.80 16.74 99.32 -42.30 72.55 -14.09 91.32 0.59 8.09 2.08 11.88 75.78 0.21 9.48 0.00 0.39 0.18 23 S C T 83.98 2.87 15.47 19.00 99.79 23.40 -98.15 -1.78 93.76 1.05 5.18 5.31 22.09 65.33 0.16 6.14 0.00 0.75 0.21 24 R E E 83.14 11.30 13.90 26.30 121.50 92.53 -101.85 138.88 30.92 68.98 0.10 26.26 2.12 0.66 0.02 0.07 0.00 70.56 0.31 25 K E E 82.43 11.80 19.57 31.73 127.88 -169.39 -127.26 141.23 2.12 97.87 0.00 1.82 0.09 0.01 0.00 0.00 0.00 98.06 0.02 26 V E E 8.62 22.10 18.29 40.68 123.99 -163.61 -120.36 135.49 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 27 Y E E 77.12 11.16 26.09 37.46 122.78 -160.57 -116.76 134.42 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 28 G E E 4.93 17.63 22.37 40.26 145.30 107.67 -175.65 -176.12 0.58 99.42 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.53 0.00 29 V E E 40.85 10.50 26.20 38.01 121.43 -76.24 -113.82 135.06 0.73 99.27 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.34 0.01 30 L E E 7.90 24.46 15.79 41.14 109.81 -117.49 -73.64 127.00 1.10 98.90 0.00 1.04 0.02 0.00 0.00 0.00 0.00 98.92 0.01 31 R E E 101.39 7.72 23.59 31.99 100.51 174.44 -101.07 -22.82 2.40 97.59 0.01 1.74 0.39 0.04 0.00 0.00 0.00 97.81 0.02 32 G E E 17.50 7.80 24.44 33.66 145.79 -31.49 170.86 172.42 1.84 98.15 0.01 1.23 0.37 0.04 0.00 0.01 0.00 98.34 0.01 33 Y E E 66.40 19.66 13.09 31.75 135.45 -146.94 -146.07 151.56 1.63 98.37 0.01 1.56 0.10 0.01 0.00 0.00 0.00 97.32 1.01 34 D C C 56.17 7.32 16.41 24.95 126.86 -139.78 -101.48 168.72 88.29 11.69 0.02 87.96 0.47 0.07 0.00 0.01 0.00 11.03 0.46 35 I C T 133.13 3.17 14.68 19.24 91.87 -96.19 -64.26 -21.18 99.59 0.08 0.33 0.17 2.51 96.91 0.01 0.34 0.00 0.05 0.02 36 F C T 129.35 3.57 16.25 20.47 93.30 51.83 -89.30 3.07 99.63 0.04 0.33 0.29 2.84 96.48 0.01 0.36 0.00 0.02 0.01 37 L C C 51.83 14.02 14.89 29.31 93.65 -109.86 68.38 25.76 98.70 0.71 0.60 53.27 37.79 7.49 0.06 0.69 0.00 0.40 0.30 38 N C C 39.03 10.18 21.03 32.50 117.26 149.72 -82.01 140.86 94.60 5.36 0.04 90.76 2.92 0.70 0.01 0.03 0.00 5.06 0.52 39 I E E 9.34 23.34 18.22 41.90 118.14 -138.95 -103.69 129.12 0.70 99.30 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.18 0.11 40 V E E 26.09 11.87 26.17 39.06 119.86 -164.42 -113.49 130.31 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 41 L E E 7.77 23.88 17.54 41.85 119.85 -160.88 -110.62 128.81 0.14 99.86 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 42 E E E 66.28 8.34 23.39 32.06 130.27 -170.97 -120.45 155.88 2.08 97.91 0.00 1.17 0.61 0.03 0.00 0.00 0.00 98.18 0.01 43 D E E 89.60 4.55 23.67 28.70 94.75 5.38 57.33 47.35 1.82 98.18 0.00 1.21 0.29 0.02 0.00 0.00 0.00 98.47 0.01 44 S E E 7.63 22.41 13.05 35.37 119.80 168.26 -83.20 146.51 1.19 98.80 0.00 1.11 0.03 0.00 0.00 0.00 0.00 98.85 0.01 45 I E E 45.62 9.28 23.34 33.78 122.49 -153.77 -118.77 134.42 0.66 99.34 0.00 0.54 0.03 0.00 0.00 0.00 0.00 99.41 0.02 46 E E E 38.27 15.34 16.33 32.41 120.25 -161.17 -113.18 132.42 1.26 98.74 0.00 1.00 0.10 0.01 0.00 0.00 0.00 98.88 0.01 47 E E E 78.75 7.46 16.01 25.06 115.98 -154.13 -106.16 125.81 7.59 92.36 0.05 6.56 0.69 0.09 0.01 0.03 0.00 92.38 0.23 48 K C C 72.50 8.15 10.54 20.46 120.77 -152.63 -90.76 163.19 70.34 29.43 0.24 65.25 2.54 0.46 0.04 0.15 0.00 30.88 0.68 49 V C T 122.41 2.12 10.23 13.94 92.73 -101.73 -62.98 -25.51 84.39 11.68 3.93 9.41 12.88 61.84 0.25 3.98 0.00 10.72 0.90 50 D C T 125.72 0.56 11.18 10.64 95.21 52.95 -85.38 1.22 95.97 0.50 3.53 5.33 11.15 78.84 0.20 3.99 0.00 0.36 0.13 51 G C S 49.96 3.17 10.27 15.09 98.93 -100.54 87.26 3.96 94.76 1.26 3.98 19.77 56.58 17.94 0.25 4.29 0.00 0.86 0.32 52 E C C 110.04 2.56 12.05 16.17 116.88 135.11 -80.25 142.16 86.76 13.12 0.11 82.98 2.40 0.41 0.02 0.08 0.00 13.73 0.40 53 K E E 115.13 8.77 10.35 20.66 121.42 -144.35 -110.32 135.77 7.87 92.11 0.01 7.03 0.47 0.04 0.00 0.01 0.00 92.23 0.22 54 V E E 70.38 6.34 14.83 23.06 123.09 -170.05 -123.37 133.99 1.14 98.85 0.00 0.98 0.06 0.01 0.00 0.00 0.00 98.94 0.02 55 K E E 133.57 5.02 15.02 22.07 111.67 -121.15 -77.11 126.46 1.61 98.39 0.00 1.40 0.07 0.01 0.00 0.00 0.00 98.49 0.03 56 I E E 64.05 11.78 13.10 25.73 102.57 174.07 -103.00 -7.42 11.27 88.71 0.01 10.62 0.28 0.02 0.00 0.01 0.00 88.99 0.08 57 G E E 29.82 5.00 19.24 25.15 127.09 -113.02 100.88 -166.40 13.39 86.60 0.01 7.95 4.64 0.12 0.00 0.01 0.00 87.24 0.05 58 S E E 58.44 9.58 17.30 27.51 122.23 -29.06 -108.61 140.76 3.60 96.39 0.00 2.94 0.32 0.01 0.00 0.00 0.00 96.71 0.02 59 V E E 30.77 17.08 15.93 33.40 126.29 -168.62 -127.95 135.86 0.35 99.65 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.01 60 A E E 54.40 8.77 22.24 31.73 117.19 -148.21 -104.56 127.13 0.28 99.72 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.01 61 I E E 18.93 20.68 15.55 36.41 126.86 -174.46 -125.79 140.87 5.34 94.65 0.00 5.22 0.11 0.00 0.00 0.00 0.00 94.51 0.16 62 R C C 114.93 5.23 23.32 28.57 114.31 -116.91 -74.60 140.69 69.40 29.87 0.74 62.00 5.45 0.67 0.07 0.72 0.00 30.53 0.55 63 G H G 19.89 18.85 13.69 31.71 92.96 -119.52 -59.30 -35.05 27.94 1.85 70.21 3.58 7.18 15.74 0.68 71.32 0.00 1.35 0.14 64 N H G 111.59 3.22 21.41 25.11 92.06 64.19 -73.74 -14.05 24.94 1.98 73.07 3.37 5.23 14.51 0.64 74.55 0.00 1.59 0.10 65 S H G 36.42 11.42 17.89 30.27 94.63 60.65 -89.56 -6.16 24.14 5.56 70.30 10.03 4.74 8.84 1.05 69.87 0.00 5.27 0.21 66 V E E 16.87 22.73 11.83 34.29 111.99 98.59 -84.50 121.51 4.84 95.11 0.04 4.78 0.23 0.02 0.01 0.02 0.00 94.64 0.30 67 I E E 88.90 5.62 21.18 27.72 100.81 176.19 -96.22 -32.35 2.93 97.03 0.03 1.97 0.71 0.04 0.01 0.01 0.00 97.24 0.02 68 M E E 82.63 5.32 23.78 29.93 138.50 1.71 -153.39 149.11 0.32 99.65 0.03 0.26 0.02 0.00 0.01 0.00 0.00 99.71 0.00 69 I E E 39.11 22.76 13.10 34.70 125.61 -165.89 -132.67 130.59 0.33 99.64 0.03 0.29 0.01 0.00 0.01 0.00 0.00 99.67 0.00 70 E E E 91.16 5.03 23.49 29.05 127.77 -176.52 -132.11 142.25 2.13 97.68 0.19 1.85 0.12 0.03 0.11 0.04 0.00 97.81 0.04 71 T E E 59.06 14.03 13.56 27.56 114.68 -121.72 -79.35 135.88 16.01 83.41 0.58 14.76 0.89 0.26 0.28 0.25 0.00 83.23 0.34 72 L C C 83.78 8.30 13.84 23.38 102.99 -152.09 -87.66 -15.61 71.09 19.61 9.30 48.00 14.52 8.12 1.39 7.72 0.00 19.42 0.83 73 D C C 97.53 3.38 14.41 18.93 119.64 -10.14 -111.67 138.91 74.96 13.45 11.59 36.34 25.64 13.46 1.53 9.97 0.01 11.78 1.26 74 K C C 131.60 5.37 10.44 17.67 112.57 -134.54 -91.73 128.74 74.51 12.87 12.62 53.83 11.00 9.51 2.28 10.75 0.01 9.91 2.71 75 M C C 114.38 5.49 8.05 15.23 109.93 -156.58 -95.36 108.64 91.43 4.62 3.95 86.59 1.86 3.77 1.18 2.16 0.00 3.09 1.35 76 T C C 107.69 2.02 12.11 15.23 109.11 -154.90 -93.63 102.25 99.96 0.03 0.01 99.90 0.05 0.03 0.00 0.00 0.00 0.01 0.00