# 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 S C C 58.76 7.45 19.30 27.07 117.26 -128.99 -87.62 153.38 99.87 0.12 0.01 99.68 0.15 0.09 0.00 0.00 0.00 0.06 0.01 1 A C C 36.49 15.61 14.50 29.80 112.57 -144.94 -96.23 120.47 90.12 9.62 0.26 83.31 5.45 1.36 0.06 0.17 0.00 7.92 1.73 2 H E B 100.69 6.30 20.78 28.03 125.46 -152.38 -115.66 140.23 20.61 79.15 0.23 15.85 2.21 0.12 0.19 0.05 0.00 12.90 68.68 3 C C C 10.29 21.40 11.32 32.97 110.28 -113.72 -72.10 129.62 87.56 12.39 0.06 88.83 0.71 0.10 0.02 0.02 0.00 6.91 3.41 4 Q C T 108.95 5.15 20.52 26.73 92.54 -145.24 -69.02 -26.21 99.70 0.16 0.13 0.43 4.41 94.92 0.01 0.09 0.00 0.10 0.05 5 V C T 54.40 13.15 17.19 30.23 100.30 42.63 -86.07 -41.73 99.83 0.07 0.10 0.07 2.22 97.60 0.00 0.05 0.00 0.03 0.03 6 T C T 48.49 10.33 16.16 27.58 101.81 19.28 -106.04 -14.86 99.78 0.08 0.14 0.29 3.44 96.13 0.01 0.07 0.00 0.04 0.03 7 G C C 42.81 5.30 17.70 24.17 95.36 -119.94 80.53 7.36 98.42 1.45 0.13 77.64 17.81 2.92 0.04 0.10 0.00 0.70 0.80 8 R C C 98.31 9.00 14.80 25.24 119.88 134.20 -83.79 148.92 87.85 12.03 0.12 76.06 10.91 0.28 0.05 0.07 0.00 4.21 8.41 9 G C C 35.56 6.67 19.05 26.37 127.61 -140.22 -105.89 163.68 67.20 32.70 0.09 58.47 9.05 0.22 0.05 0.06 0.00 20.67 11.48 10 P C C 62.76 13.85 14.17 27.75 114.95 -97.68 -69.02 148.09 76.15 23.78 0.08 68.14 6.69 0.45 0.01 0.08 0.00 23.48 1.14 11 G E E 31.83 7.62 17.88 26.40 135.63 170.24 -144.44 172.66 28.04 71.84 0.11 24.08 3.09 0.38 0.04 0.09 0.00 69.04 3.28 12 F E E 126.51 7.01 14.86 23.65 125.71 -121.81 -120.32 144.00 13.86 86.07 0.08 12.41 1.15 0.13 0.03 0.05 0.00 84.18 2.05 13 G E E 29.38 8.50 13.15 23.11 136.26 166.13 -148.64 172.05 19.04 80.81 0.14 15.72 3.00 0.37 0.04 0.10 0.00 79.86 0.91 14 N E E 100.27 4.64 14.31 20.64 121.70 -99.42 -115.96 140.78 21.23 78.56 0.20 17.49 3.28 0.46 0.06 0.14 0.00 77.71 0.86 15 S E E 55.59 8.68 11.19 21.22 121.82 -161.87 -113.50 141.82 22.39 77.25 0.36 18.76 3.24 0.64 0.12 0.22 0.00 75.96 1.05 16 V E E 88.01 4.32 11.27 17.52 118.89 -149.56 -110.51 131.35 22.77 76.74 0.49 19.32 2.82 0.61 0.26 0.28 0.00 72.64 4.07 17 S C C 48.80 6.04 8.50 16.45 122.68 -153.53 -92.52 166.85 54.19 45.04 0.77 48.56 3.58 1.12 0.22 0.50 0.00 44.52 1.50 18 H C T 164.99 1.19 9.34 11.25 94.86 -94.89 -67.79 -20.85 81.98 12.26 5.76 19.71 16.53 45.53 0.54 5.65 0.00 11.09 0.95 19 S C T 85.60 1.19 9.38 10.87 98.08 52.93 -90.35 4.09 93.68 1.48 4.85 21.00 17.68 54.30 0.43 5.21 0.00 1.05 0.33 20 H C C 148.39 2.56 9.06 13.39 96.28 -106.21 65.14 26.14 88.24 7.29 4.47 35.05 30.17 23.07 0.44 4.56 0.00 5.65 1.06 21 R C C 145.96 2.03 10.21 13.78 117.87 146.64 -94.70 139.22 65.68 33.68 0.65 52.93 7.55 3.38 0.13 0.56 0.00 33.67 1.77 22 R E E 150.84 4.71 9.43 16.35 115.91 -129.64 -90.09 132.52 26.25 73.53 0.22 22.68 2.30 0.40 0.11 0.15 0.00 66.16 8.21 23 T E E 62.27 5.59 11.44 19.07 125.37 -175.70 -123.56 144.25 35.68 64.27 0.05 32.67 2.03 0.12 0.02 0.03 0.00 63.97 1.15 24 P E E 98.37 3.56 12.73 17.89 111.20 -109.40 -72.50 135.17 44.66 55.29 0.05 37.86 4.80 0.21 0.01 0.04 0.00 56.69 0.40 25 R E E 104.63 8.42 11.88 21.90 126.83 -171.84 -122.69 144.46 30.75 69.22 0.03 27.63 2.25 0.11 0.01 0.02 0.00 69.42 0.55 26 R E E 135.56 5.88 14.69 22.46 119.69 -143.85 -109.36 131.83 9.42 90.56 0.02 8.74 0.59 0.04 0.01 0.01 0.00 89.39 1.22 27 W E E 74.01 13.38 12.66 26.88 124.11 -168.24 -117.85 139.04 10.30 89.68 0.02 9.66 0.49 0.03 0.01 0.01 0.00 82.27 7.52 28 D C C 83.02 5.83 19.57 26.33 112.77 -150.05 -106.89 113.34 77.23 22.74 0.03 73.51 2.70 0.13 0.00 0.03 0.00 23.23 0.39 29 P C C 36.77 15.91 15.18 30.98 109.01 -145.72 -72.23 142.69 83.44 15.94 0.61 38.98 27.27 16.10 0.04 0.81 0.00 16.45 0.35 30 N C E 53.65 10.24 18.67 29.88 101.93 67.77 -85.45 44.68 61.86 37.39 0.76 32.95 14.39 13.55 0.04 1.01 0.00 37.48 0.57 31 I E E 46.39 15.45 15.05 30.87 120.09 118.31 -105.90 132.19 15.43 84.54 0.03 14.23 0.97 0.06 0.01 0.02 0.00 84.05 0.67 32 Q E E 63.13 9.71 18.32 29.24 125.76 -171.83 -121.33 142.99 3.51 96.48 0.01 3.17 0.18 0.02 0.00 0.00 0.00 96.54 0.08 33 N E E 87.89 9.16 16.34 26.71 120.42 -143.99 -106.49 134.39 2.59 97.40 0.00 2.24 0.15 0.01 0.00 0.00 0.00 97.58 0.02 34 K E E 61.91 10.77 15.19 27.48 132.40 171.08 -137.39 151.60 2.26 97.74 0.00 1.98 0.11 0.00 0.00 0.00 0.00 97.90 0.02 35 T E E 74.37 6.78 17.18 25.33 118.95 -131.83 -103.55 133.16 0.79 99.20 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.25 0.01 36 Y E E 43.77 13.94 13.45 28.59 130.53 -177.51 -131.66 152.07 0.44 99.56 0.00 0.38 0.02 0.00 0.00 0.00 0.00 99.59 0.01 37 Y E E 122.21 4.60 16.90 22.72 115.10 -126.33 -94.28 128.64 1.46 98.54 0.00 1.34 0.06 0.00 0.00 0.00 0.00 98.53 0.07 38 L E E 26.74 12.61 9.52 23.95 110.12 -147.77 -100.02 114.55 34.28 65.68 0.03 32.60 0.93 0.07 0.01 0.02 0.00 65.86 0.51 39 P C T 92.46 3.22 12.25 17.21 93.15 -154.51 -63.81 -31.59 89.24 0.19 10.57 0.43 2.65 84.10 0.11 12.57 0.00 0.10 0.04 40 S C T 91.94 1.03 11.90 12.95 94.26 51.77 -72.05 -31.82 88.78 0.11 11.10 0.24 2.03 84.90 0.10 12.64 0.00 0.05 0.03 41 E C T 115.54 2.75 11.02 14.90 99.61 28.26 -101.58 -9.35 90.10 0.13 9.77 0.44 2.42 84.49 0.08 12.49 0.00 0.07 0.03 42 G C T 54.75 2.23 11.35 15.07 95.79 -124.74 72.84 10.58 99.01 0.50 0.49 26.39 6.88 65.75 0.06 0.41 0.00 0.42 0.08 43 R E E 123.84 3.63 12.55 18.01 124.03 131.08 -106.03 148.49 46.33 53.61 0.06 41.39 3.08 0.35 0.01 0.05 0.00 54.58 0.54 44 R E E 136.92 6.45 13.05 21.51 119.26 -130.02 -99.16 135.17 1.26 98.74 0.00 1.15 0.05 0.00 0.00 0.00 0.00 98.74 0.06 45 I E E 44.84 12.55 13.64 27.61 126.09 -171.71 -123.60 140.09 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 46 R E E 129.98 7.32 17.87 26.77 119.76 -147.58 -109.15 131.19 0.19 99.81 0.00 0.16 0.01 0.00 0.00 0.00 0.00 99.83 0.00 47 L E E 22.70 17.98 15.48 33.82 128.46 -174.99 -126.53 145.23 0.49 99.51 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.56 0.00 48 R E E 108.66 8.89 23.57 32.89 117.04 -139.07 -97.81 128.97 0.48 99.52 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.01 49 V E E 7.13 22.82 16.70 39.64 133.19 175.26 -132.46 152.18 1.64 98.36 0.01 1.54 0.04 0.00 0.01 0.00 0.00 98.36 0.06 50 S E E 21.86 10.78 22.06 33.87 118.72 -110.73 -73.84 156.56 20.21 79.76 0.03 19.97 0.45 0.02 0.02 0.01 0.00 79.04 0.49 51 A H H 36.45 14.40 17.58 32.31 91.36 -113.54 -59.48 -36.38 12.09 0.19 87.72 0.93 1.37 8.82 69.47 19.14 0.07 0.14 0.05 52 K H H 121.25 3.29 23.96 27.34 91.35 57.60 -63.73 -37.32 7.93 0.07 92.00 0.41 0.55 6.33 73.39 19.23 0.03 0.05 0.02 53 G H H 8.39 16.89 17.69 35.18 91.73 51.80 -67.33 -36.98 6.30 0.10 93.60 0.65 0.54 4.47 72.69 21.55 0.01 0.07 0.02 54 I H H 14.58 23.39 15.66 38.46 92.17 55.73 -65.39 -36.24 12.67 3.11 84.22 4.25 1.87 6.23 68.00 16.43 0.08 2.68 0.46 55 K H H 120.54 5.90 21.38 28.10 91.57 58.58 -68.46 -25.70 44.77 3.48 51.75 6.84 4.85 31.88 41.62 11.04 0.32 2.65 0.81 56 V C T 80.51 5.77 21.01 27.20 96.50 50.87 -92.24 -11.88 55.31 6.42 38.28 11.28 6.00 36.86 30.65 8.82 0.23 4.90 1.27 57 I C C 24.38 21.86 11.09 31.96 113.87 96.24 -82.76 129.73 72.43 13.51 14.06 48.92 19.21 3.90 13.77 1.73 0.04 6.98 5.45 58 D C C 72.77 6.67 18.61 25.78 121.05 -159.18 -95.85 167.65 84.82 6.60 8.58 78.23 2.97 2.98 8.18 1.22 0.00 4.47 1.96 59 R C T 152.81 5.83 15.34 22.44 93.25 -93.19 -65.56 -29.02 68.58 1.25 30.17 11.19 15.84 40.46 26.50 4.74 0.08 0.60 0.58 60 D C T 98.24 3.25 17.88 21.32 95.78 53.03 -83.14 -8.20 69.40 1.02 29.58 10.09 15.68 42.39 26.47 4.25 0.09 0.44 0.58 61 G C C 17.04 11.61 17.79 30.17 107.86 -102.14 84.53 -4.12 66.38 1.98 31.64 47.17 9.82 8.42 29.63 3.19 0.00 0.86 0.91 62 I H H 19.71 21.72 15.18 36.17 93.30 -10.99 -62.67 -41.21 4.54 0.06 95.41 2.48 0.59 1.38 95.04 0.46 0.00 0.02 0.02 63 E H H 102.75 6.90 21.44 29.07 91.61 52.41 -63.32 -40.82 1.40 0.03 98.58 0.53 0.15 0.64 98.35 0.31 0.00 0.01 0.00 64 A H H 46.22 4.24 22.57 26.89 91.73 50.26 -64.60 -41.25 0.50 0.01 99.48 0.18 0.04 0.23 99.31 0.23 0.00 0.00 0.00 65 V H H 15.76 16.52 19.15 36.23 91.78 49.48 -64.60 -43.37 0.23 0.00 99.77 0.06 0.02 0.11 99.74 0.07 0.00 0.00 0.00 66 V H H 18.71 17.47 18.49 36.15 91.47 49.52 -63.64 -42.71 0.16 0.00 99.83 0.04 0.01 0.08 99.83 0.03 0.00 0.00 0.00 67 A H H 48.60 3.77 21.48 25.38 91.21 50.72 -63.00 -41.92 0.23 0.00 99.77 0.04 0.01 0.12 99.78 0.04 0.00 0.00 0.00 68 R H H 109.55 4.24 20.25 24.73 91.74 49.62 -64.96 -41.10 0.50 0.01 99.49 0.09 0.03 0.29 99.49 0.08 0.00 0.00 0.00 69 M H H 22.21 14.20 13.36 28.94 91.65 50.18 -64.39 -41.90 1.02 0.04 98.93 0.24 0.08 0.59 98.85 0.21 0.00 0.02 0.00 70 R H H 124.48 5.94 14.61 21.99 91.62 50.84 -63.47 -40.22 2.45 0.04 97.51 0.45 0.18 1.62 97.22 0.50 0.01 0.02 0.01 71 A H H 85.05 1.42 13.83 15.37 90.89 53.10 -65.88 -29.19 11.35 0.06 88.59 0.72 0.56 9.79 88.23 0.64 0.02 0.02 0.03 72 R C T 146.91 2.69 12.02 15.85 93.87 49.97 -88.03 0.08 75.69 0.07 24.24 0.87 1.71 70.68 25.90 0.77 0.00 0.02 0.05 73 G C T 61.90 1.03 12.98 13.90 96.60 -106.93 80.46 12.11 98.43 0.06 1.50 3.50 3.72 91.46 1.02 0.23 0.00 0.03 0.03 74 E C C 93.02 6.61 9.06 17.63 117.61 139.15 -89.32 139.40 98.13 0.94 0.92 83.70 11.91 2.64 0.40 0.43 0.00 0.49 0.44 75 K C C 153.51 2.09 14.35 17.56 111.48 -125.63 -85.84 125.96 96.06 3.05 0.89 91.36 3.10 1.92 0.35 0.35 0.00 1.70 1.22 76 V C C 52.15 15.34 11.01 25.72 116.62 -169.90 -106.71 131.88 99.75 0.24 0.01 99.73 0.10 0.02 0.00 0.00 0.00 0.13 0.02