# 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 Q C C 79.51 11.50 20.09 31.27 118.69 -152.77 -101.46 132.64 97.91 2.08 0.00 98.00 0.15 0.01 0.00 0.00 0.00 1.78 0.05 1 I E E 46.46 15.27 17.91 33.30 121.73 -158.74 -110.44 134.93 38.93 61.04 0.03 38.67 0.46 0.05 0.00 0.02 0.00 59.94 0.85 2 Y E E 28.34 19.47 18.00 37.27 124.86 -162.60 -116.22 139.79 9.59 90.40 0.01 8.53 0.59 0.03 0.00 0.00 0.00 90.74 0.11 3 T E E 38.80 12.85 24.66 37.60 123.88 -157.55 -115.44 136.36 2.58 97.41 0.01 2.25 0.15 0.01 0.00 0.00 0.00 97.53 0.06 4 I E E 11.04 23.08 17.79 41.09 118.79 -158.38 -112.39 126.09 7.86 92.11 0.02 7.61 0.25 0.01 0.01 0.01 0.00 91.74 0.37 5 I C C 36.79 11.86 21.89 34.88 110.13 -153.05 -101.45 115.66 57.24 42.67 0.09 57.15 0.52 0.05 0.02 0.04 0.00 41.69 0.53 6 E H G 75.15 16.29 16.49 31.86 94.51 -159.51 -65.22 -32.40 39.24 3.66 57.10 6.89 6.49 25.75 2.80 54.58 0.00 3.23 0.25 7 E H G 135.71 2.90 22.01 25.09 92.25 59.11 -70.61 -19.65 39.72 3.28 57.01 3.32 5.70 30.74 2.60 54.55 0.01 2.82 0.27 8 L H G 59.83 12.65 18.95 31.69 99.03 50.03 -97.45 -4.77 36.27 3.67 60.06 6.48 6.23 24.02 2.81 56.81 0.01 3.22 0.41 9 C C C 9.82 24.21 14.28 38.21 113.88 101.52 -83.86 128.84 72.38 25.12 2.50 63.73 6.16 1.84 1.20 1.31 0.00 14.93 10.81 10 I C C 55.48 12.43 24.00 36.39 103.41 -164.04 -98.84 8.18 66.49 30.56 2.94 41.38 12.55 12.94 1.31 1.93 0.08 20.05 9.77 11 G C C 27.81 12.90 22.68 35.04 97.17 -93.53 70.89 31.22 76.45 20.38 3.17 32.48 27.31 18.33 1.00 2.21 0.07 13.77 4.83 12 C C C 26.37 17.94 17.17 34.87 96.50 129.91 -89.03 -6.04 89.02 6.45 4.53 71.47 9.68 7.42 1.23 3.48 0.00 3.96 2.76 13 G C G 32.12 10.48 20.56 31.06 97.62 -122.73 73.60 -10.66 57.71 4.38 37.91 15.80 19.58 24.40 4.31 31.64 0.09 2.24 1.94 14 F C G 100.92 8.76 22.09 30.96 95.13 96.17 -77.01 -22.52 55.91 4.67 39.43 8.89 17.18 30.81 5.13 33.03 0.19 2.61 2.16 15 C C G 12.24 21.33 14.31 35.45 98.27 55.95 -90.56 2.68 53.88 3.62 42.50 26.78 10.13 17.81 7.09 34.57 0.02 1.90 1.69 16 T H G 49.73 16.11 15.84 31.14 95.24 102.39 -62.95 -36.27 29.03 1.54 69.43 7.65 4.65 16.89 8.89 60.48 0.01 1.07 0.37 17 D H G 122.23 1.28 20.47 20.68 93.65 53.22 -74.08 -16.75 31.70 1.29 67.01 3.12 3.78 23.79 8.07 59.88 0.06 0.92 0.39 18 E H G 101.41 7.85 18.89 27.17 99.31 50.53 -99.04 -4.48 34.70 1.78 63.52 4.88 5.94 23.66 9.89 53.80 0.08 1.13 0.64 19 C C S 14.73 23.38 9.98 32.15 117.53 102.04 -82.38 139.90 99.16 0.65 0.20 33.18 65.73 0.19 0.14 0.03 0.00 0.12 0.60 20 P C C 34.82 10.85 16.34 28.94 114.29 -106.26 -65.53 150.29 98.38 0.36 1.26 96.23 1.43 0.96 0.63 0.31 0.00 0.11 0.34 21 P C T 98.45 4.27 17.09 22.48 95.59 -111.53 -64.51 -25.66 66.14 0.84 33.02 10.66 9.09 45.43 14.21 19.55 0.03 0.44 0.58 22 K C T 124.52 4.75 17.75 23.29 99.61 56.51 -76.54 1.34 59.53 3.20 37.27 12.14 8.02 38.74 17.78 20.01 0.21 1.84 1.27 23 V H G 31.48 19.29 12.15 30.29 99.38 92.95 -74.49 -24.90 40.38 6.50 53.12 23.72 7.73 10.07 20.68 31.81 0.03 4.69 1.28 24 N H G 85.05 9.65 18.46 28.19 97.97 68.13 -77.22 -8.48 43.20 12.66 44.14 24.32 8.43 11.99 17.94 25.28 0.07 10.13 1.85 25 A C C 54.99 8.36 18.76 27.54 100.18 74.70 -81.72 -4.98 45.46 18.07 36.46 26.58 9.95 11.19 13.90 21.34 0.17 14.31 2.56 26 I C C 47.07 15.87 15.98 31.47 108.79 79.06 -92.79 96.92 62.21 21.78 16.00 39.93 15.53 6.32 10.77 6.13 0.19 13.76 7.37 27 L C C 52.10 13.89 16.00 30.14 116.84 90.69 -97.96 129.78 88.63 7.62 3.75 66.73 19.32 2.59 2.84 1.16 0.00 5.46 1.90 28 P C C 56.78 10.84 14.91 26.57 107.95 -118.69 -66.71 144.14 75.24 3.87 20.89 54.74 9.15 10.40 13.94 7.97 0.01 2.80 0.99 29 R C T 157.75 3.82 16.65 21.60 96.83 -111.16 -69.71 -28.11 61.08 3.22 35.70 19.50 13.97 27.71 23.74 11.92 0.14 1.95 1.06 30 D C H 77.95 7.55 16.42 24.67 102.51 50.28 -89.80 22.22 55.40 6.47 38.13 23.66 10.35 21.71 25.58 12.49 0.16 4.59 1.46 31 V H H 36.73 17.31 12.81 29.34 100.71 106.95 -78.58 -23.02 38.18 13.29 48.53 23.78 7.92 7.77 36.64 10.80 0.14 11.29 1.66 32 E H H 105.37 5.81 19.72 25.99 97.52 73.02 -69.76 -29.28 30.53 22.13 47.34 18.92 5.67 6.76 36.17 10.40 0.16 20.23 1.70 33 A H H 32.11 11.08 17.02 29.11 98.73 58.86 -73.65 -31.53 24.12 27.24 48.65 15.58 4.09 5.00 37.23 10.44 0.10 26.22 1.35 34 V H H 32.67 17.00 14.87 31.38 100.98 57.30 -80.37 -13.00 21.37 34.38 44.24 13.19 3.82 5.02 35.94 8.21 0.13 31.96 1.73 35 L E E 78.29 10.16 16.02 26.64 104.78 63.87 -86.56 4.51 27.46 37.43 35.11 15.30 5.58 8.04 28.55 7.66 0.33 31.55 2.99 36 D C T 95.05 4.90 15.19 21.00 102.94 60.27 -88.96 27.35 55.60 23.53 20.86 19.14 11.69 24.63 16.63 5.47 0.33 19.42 2.69 37 G C T 48.32 4.97 13.63 19.90 101.23 -84.34 83.55 6.64 86.60 7.21 6.19 28.54 21.11 37.72 2.87 2.81 0.01 5.71 1.24 38 G C S 44.44 4.86 14.96 20.81 112.30 -105.89 77.32 -153.30 94.58 2.19 3.23 17.19 38.93 38.89 0.55 2.42 0.00 1.45 0.57 39 E C S 118.30 7.64 16.11 24.22 100.53 -28.08 -86.86 0.83 89.74 7.92 2.34 17.75 43.28 29.00 0.31 1.88 0.00 6.96 0.81 40 T E E 49.51 11.14 17.53 29.56 123.84 81.52 -113.36 139.38 45.82 52.79 1.39 32.12 11.35 3.35 0.43 0.98 0.01 49.48 2.29 41 Y E E 31.18 19.71 17.20 36.59 124.45 -164.77 -116.55 137.45 22.28 77.25 0.47 19.65 1.98 0.42 0.23 0.21 0.00 76.59 0.92 42 W E E 77.15 12.17 24.82 37.25 122.79 -157.27 -116.78 133.05 12.20 87.58 0.22 10.66 1.32 0.17 0.16 0.07 0.00 86.88 0.75 43 I E E 9.30 23.89 16.74 41.04 118.37 -151.81 -108.25 129.17 18.61 81.10 0.29 17.40 1.21 0.12 0.26 0.08 0.00 76.34 4.60 44 D C C 48.65 8.36 23.43 32.81 107.37 -140.92 -90.77 108.65 88.65 11.20 0.15 87.41 1.07 0.11 0.07 0.04 0.00 10.89 0.40 45 Q H G 47.44 19.11 14.31 33.06 93.57 -164.43 -65.48 -26.23 42.31 0.63 57.07 5.51 4.72 30.52 25.16 33.28 0.10 0.41 0.30 46 T H T 96.53 3.11 20.56 24.25 91.31 62.83 -70.16 -25.04 41.13 0.46 58.41 2.16 3.98 33.37 27.19 32.60 0.14 0.26 0.30 47 R H G 114.69 7.91 19.46 27.69 97.96 45.85 -91.94 -16.95 37.79 1.16 61.05 4.05 5.27 26.25 30.90 32.01 0.23 0.73 0.56 48 C C C 9.36 22.92 12.49 34.78 103.98 66.72 -95.31 38.52 61.75 7.32 30.93 41.97 8.57 11.80 21.79 8.12 0.15 3.77 3.83 49 I C T 70.40 12.21 18.74 30.81 102.72 133.56 -86.11 -2.56 79.96 7.64 12.40 29.92 10.32 39.77 8.34 4.09 0.06 4.74 2.78 50 S C T 75.15 5.23 21.12 26.53 97.70 47.74 -76.49 3.13 82.44 5.93 11.63 21.77 17.41 43.81 6.16 5.01 0.06 3.45 2.31 51 C C C 29.67 16.59 14.79 31.07 109.91 96.22 -96.49 59.99 83.84 4.08 12.08 45.08 29.29 9.57 6.56 5.16 0.03 1.66 2.67 52 S C G 55.62 9.19 21.80 31.22 95.84 -136.86 27.51 -21.45 52.61 2.51 44.88 15.43 13.46 23.73 20.89 23.78 0.13 1.35 1.24 53 L H G 36.93 16.90 20.03 36.37 93.73 86.31 -70.79 -28.35 42.21 5.68 52.12 11.14 8.84 21.94 24.25 27.68 0.70 3.65 1.79 54 C H G 10.08 23.50 16.40 39.31 94.65 62.93 -73.17 -19.32 30.80 10.78 58.42 14.51 6.39 10.78 26.88 31.22 0.26 8.25 1.71 55 F H H 104.65 8.91 22.28 31.45 93.07 79.19 -67.00 -27.80 35.93 15.54 48.53 14.54 7.57 14.78 26.55 21.60 0.48 11.89 2.59 56 V H H 55.24 11.33 21.08 32.64 96.12 53.08 -86.00 -13.04 38.29 18.35 43.36 16.29 7.31 15.90 24.08 18.49 0.59 12.69 4.64 57 A H G 17.94 21.02 14.18 34.43 94.30 86.82 -63.96 -32.07 39.79 7.31 52.90 9.73 6.22 23.68 16.58 36.28 0.27 5.45 1.78 58 G C T 48.69 5.68 20.84 27.34 93.61 58.92 -67.23 -20.01 51.04 3.33 45.63 6.52 5.89 38.11 12.47 33.38 0.11 2.66 0.86 59 T C T 75.38 7.02 19.87 27.38 98.30 54.64 -95.00 -6.20 53.93 5.09 40.97 8.50 9.85 35.33 10.49 30.34 0.25 3.49 1.75 60 C C C 13.09 22.00 9.61 30.65 114.72 103.64 -83.33 134.15 93.46 5.99 0.54 60.96 31.57 1.03 0.27 0.23 0.00 2.01 3.92 61 P C T 86.21 4.85 19.75 25.31 93.73 -135.01 -65.35 -20.87 91.32 1.10 7.58 18.29 23.13 50.20 2.43 4.81 0.00 0.62 0.52 62 T C T 60.03 10.68 17.14 28.09 100.21 44.72 -97.91 -0.45 87.06 2.17 10.76 7.23 24.64 55.78 3.40 6.61 0.04 1.31 1.00 63 D C C 83.58 9.33 21.17 30.60 96.72 -117.15 57.87 39.48 79.01 8.74 12.24 35.20 19.00 25.58 3.65 8.43 0.02 5.96 2.16 64 A C C 13.46 19.47 18.25 37.58 97.30 142.20 -79.50 -23.00 72.37 17.95 9.69 56.70 10.28 5.00 3.42 5.94 0.00 16.77 1.89 65 V E E 13.05 23.38 17.01 40.00 118.54 60.30 -104.13 126.06 37.85 54.90 7.25 32.02 4.36 2.24 3.28 3.36 0.02 52.96 1.76 66 V E E 61.98 9.22 24.46 34.00 124.63 -171.47 -119.93 134.43 15.24 81.24 3.52 13.17 1.68 0.77 2.53 1.25 0.01 78.18 2.40 67 F E E 68.85 17.53 14.70 31.55 115.52 -136.52 -89.59 131.31 28.10 68.79 3.11 24.62 2.27 0.94 2.30 0.99 0.00 67.29 1.59 68 T C C 66.15 7.81 15.67 24.66 119.46 -159.75 -102.52 146.58 75.45 20.22 4.33 61.32 7.61 5.11 1.57 2.76 0.00 20.61 1.01 69 E C C 146.00 2.76 13.62 17.83 109.13 -101.68 -73.45 129.42 81.19 10.96 7.86 33.89 18.82 29.26 1.92 5.75 0.01 8.79 1.56 70 G C T 55.11 2.86 13.33 17.37 103.21 20.11 83.55 -1.66 87.69 6.32 5.99 26.01 26.90 35.16 0.94 5.06 0.00 4.86 1.06 71 G C C 44.06 5.99 12.72 20.14 113.90 -125.97 86.84 164.65 86.89 9.14 3.97 54.93 19.69 12.03 0.62 3.77 0.00 7.45 1.51 72 V C C 69.07 10.85 9.67 21.23 119.09 -114.61 -100.96 134.16 79.69 18.29 2.02 61.23 14.33 3.75 0.69 1.48 0.00 14.43 4.09 73 S C C 74.44 3.81 13.15 18.52 114.43 -132.44 -86.50 137.77 78.68 19.34 1.98 66.68 6.89 4.15 0.59 1.41 0.00 16.45 3.81 74 R C C 151.44 6.11 9.35 17.13 107.53 -140.87 -87.88 102.69 85.17 13.41 1.42 79.97 2.78 2.70 0.47 0.78 0.00 10.20 3.10 75 T C C 98.15 3.09 12.54 17.07 112.52 104.90 -97.45 123.36 99.72 0.26 0.02 99.65 0.10 0.05 0.00 0.00 0.00 0.17 0.02