# 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 P C C 90.75 4.49 14.26 20.25 112.85 -114.67 -70.18 146.60 99.91 0.05 0.04 99.74 0.13 0.08 0.02 0.00 0.00 0.02 0.01 1 R C C 137.45 6.53 10.56 18.76 115.02 -124.36 -89.25 135.39 87.19 3.53 9.28 83.68 1.29 3.09 5.94 2.39 0.00 1.61 2.01 2 S C C 56.00 4.96 12.23 18.85 120.13 -138.85 -98.02 151.02 73.52 7.96 18.52 59.81 7.30 5.74 9.16 9.48 0.00 4.25 4.26 3 L H G 97.36 8.98 10.06 19.98 95.23 -125.27 -68.60 -21.42 45.89 4.41 49.71 19.88 10.41 17.80 11.09 36.57 0.09 2.81 1.36 4 K H G 149.46 2.46 13.42 17.06 95.80 67.21 -75.11 -19.53 46.77 5.20 48.03 14.91 10.52 23.62 10.75 35.09 0.14 3.50 1.47 5 K C G 136.13 3.36 13.49 18.08 102.52 62.77 -91.53 1.35 53.38 5.35 41.27 18.51 16.74 21.18 9.23 28.94 0.19 2.99 2.22 6 G C C 27.22 9.42 12.05 22.56 130.57 -126.29 123.42 176.55 92.58 3.78 3.64 44.10 35.04 13.47 0.67 3.07 0.00 1.99 1.67 7 P C S 80.62 6.90 15.68 23.51 101.16 -37.87 -72.19 4.27 92.96 3.60 3.44 27.68 35.10 30.58 0.47 2.98 0.00 2.32 0.87 8 F C C 93.92 10.85 16.12 27.33 108.17 66.64 -93.67 75.81 66.06 29.73 4.21 36.18 16.26 15.57 1.29 3.13 0.05 20.49 7.04 9 I C C 48.05 16.16 13.63 29.73 118.36 140.57 -98.82 128.40 65.90 32.68 1.42 56.26 7.24 0.86 1.11 0.51 0.00 20.63 13.36 10 D C C 57.22 9.97 16.93 28.08 107.58 -132.36 -87.45 112.46 93.32 5.51 1.18 92.54 1.16 0.40 0.82 0.18 0.00 3.92 0.98 11 L H H 89.16 7.45 15.97 24.99 94.02 -167.54 -66.89 -31.51 12.12 0.11 87.76 4.73 1.29 5.95 85.85 2.06 0.01 0.07 0.04 12 H H H 111.86 3.04 19.48 22.47 91.53 58.72 -64.41 -38.32 5.63 0.04 94.33 1.25 0.51 3.71 92.08 2.41 0.01 0.02 0.01 13 L H H 21.73 15.58 15.64 32.00 92.28 51.63 -65.42 -41.17 1.44 0.01 98.54 0.37 0.13 0.85 96.45 2.19 0.00 0.01 0.00 14 L H H 38.17 14.55 16.52 31.50 91.81 52.49 -63.19 -41.94 0.67 0.01 99.33 0.16 0.06 0.39 98.66 0.73 0.00 0.00 0.00 15 K H H 116.75 2.21 22.62 23.54 91.69 50.67 -64.07 -41.48 0.65 0.01 99.34 0.13 0.05 0.41 99.16 0.24 0.00 0.00 0.00 16 K H H 89.69 6.33 21.06 27.82 91.72 49.54 -65.02 -41.26 0.55 0.00 99.45 0.11 0.05 0.35 99.37 0.12 0.00 0.00 0.00 17 V H H 12.73 19.28 15.50 35.17 91.84 50.00 -64.18 -42.86 0.26 0.00 99.74 0.05 0.02 0.14 99.73 0.05 0.00 0.00 0.00 18 E H H 87.28 5.83 20.82 27.22 91.39 50.86 -63.29 -41.76 0.21 0.00 99.79 0.03 0.01 0.12 99.78 0.04 0.00 0.00 0.00 19 K H H 107.71 2.04 21.44 21.92 91.71 49.70 -64.33 -41.45 0.32 0.00 99.68 0.04 0.02 0.22 99.64 0.07 0.00 0.00 0.00 20 A H H 14.15 11.05 13.43 26.97 91.48 50.97 -63.55 -41.46 0.47 0.00 99.53 0.07 0.03 0.29 99.49 0.11 0.00 0.00 0.00 21 V H H 62.16 10.27 13.61 24.69 92.43 49.52 -65.11 -41.00 1.09 0.01 98.90 0.14 0.07 0.78 98.78 0.23 0.00 0.00 0.00 22 E H H 150.80 0.97 15.49 15.50 92.01 50.12 -66.97 -33.60 4.75 0.02 95.24 0.23 0.24 4.08 95.15 0.28 0.01 0.00 0.01 23 S H H 76.06 1.97 13.10 15.39 94.61 46.65 -87.15 -6.55 49.15 0.09 50.76 1.23 2.72 42.81 52.41 0.72 0.02 0.02 0.06 24 G C T 59.58 1.80 12.91 15.75 94.02 -115.68 76.12 16.00 99.11 0.07 0.82 12.00 7.61 79.66 0.40 0.27 0.00 0.04 0.03 25 D C C 70.82 6.39 11.31 19.52 114.23 137.46 -87.95 125.26 98.70 0.51 0.80 81.64 13.74 3.15 0.21 0.68 0.00 0.22 0.38 26 K C C 139.29 5.64 13.90 21.39 98.85 -166.18 -93.26 0.91 98.91 0.60 0.49 79.97 16.45 2.35 0.09 0.52 0.00 0.29 0.34 27 K C C 116.93 3.74 18.54 23.42 119.46 112.67 -88.71 141.71 98.93 1.05 0.03 65.43 33.56 0.18 0.01 0.02 0.00 0.62 0.19 28 P C C 56.20 12.74 16.46 29.51 115.85 -103.79 -65.37 148.26 96.04 3.94 0.02 92.27 3.77 0.10 0.00 0.01 0.00 3.62 0.22 29 L E E 22.60 20.89 14.43 35.46 115.31 -122.97 -91.02 133.20 14.86 85.11 0.03 14.11 0.46 0.03 0.02 0.01 0.00 77.71 7.66 30 R E E 124.85 6.88 23.66 31.39 117.01 -144.45 -98.48 131.93 14.48 85.50 0.02 14.05 0.53 0.03 0.01 0.01 0.00 83.81 1.55 31 T E E 24.31 21.15 13.25 33.64 125.02 -168.63 -115.66 143.96 45.55 54.31 0.15 42.53 1.98 0.25 0.03 0.11 0.00 53.33 1.76 32 W C C 130.91 7.15 20.81 28.62 102.89 -165.01 -97.66 -11.41 77.98 21.43 0.60 42.41 32.85 3.63 0.10 0.57 0.00 18.76 1.68 33 S C C 34.60 12.64 16.43 29.71 125.13 62.28 -118.67 141.59 88.25 10.04 1.72 53.69 28.34 6.47 0.29 1.67 0.00 7.65 1.89 34 R C S 128.23 10.86 16.61 27.80 98.47 -165.50 -91.77 -13.87 81.87 5.40 12.73 27.26 31.11 24.32 1.16 11.37 0.00 3.63 1.16 35 R C S 149.10 4.19 20.62 25.38 99.83 61.38 -91.66 7.96 81.18 5.81 13.02 22.37 35.58 24.16 0.97 11.76 0.01 4.05 1.10 36 S C C 22.83 18.18 14.05 32.08 121.09 101.42 -93.75 148.81 71.40 15.11 13.49 50.20 15.15 6.13 1.16 12.53 0.00 13.58 1.25 37 T E E 57.74 9.41 23.49 33.47 121.20 -144.33 -109.77 135.66 39.32 59.39 1.29 33.46 4.42 0.83 0.56 0.89 0.01 51.77 8.06 38 I E E 26.22 21.80 15.78 37.68 117.43 -150.05 -102.44 127.24 26.48 73.38 0.13 25.05 1.29 0.07 0.11 0.05 0.00 48.52 24.91 39 F C C 60.29 11.24 19.96 32.04 113.64 -144.71 -90.99 126.89 98.44 1.53 0.02 98.22 0.59 0.03 0.01 0.01 0.00 1.03 0.11 40 P H G 68.36 10.68 16.37 28.00 91.66 -128.95 -59.16 -31.25 11.66 0.15 88.19 1.00 0.96 8.07 0.97 88.87 0.00 0.12 0.01 41 N H G 104.45 4.32 20.72 26.07 89.72 64.52 -68.78 -15.48 10.92 0.10 88.98 0.32 0.61 8.96 0.78 89.25 0.00 0.08 0.01 42 M H G 14.25 21.48 14.16 36.25 94.26 58.15 -93.84 -6.44 10.43 0.14 89.44 1.07 0.98 6.46 0.78 90.59 0.00 0.10 0.01 43 I C T 59.36 14.70 15.95 31.16 112.74 116.76 -62.21 132.71 97.37 1.18 1.45 0.57 1.41 96.18 0.19 0.66 0.00 0.42 0.58 44 G C T 43.42 4.26 22.22 27.35 93.95 22.27 85.18 -3.15 99.52 0.22 0.26 0.26 1.64 97.77 0.01 0.16 0.00 0.15 0.01 45 L C C 26.37 17.80 15.91 34.19 120.83 126.82 -80.09 148.66 95.31 4.66 0.03 88.29 6.61 0.14 0.00 0.03 0.00 4.78 0.15 46 T E E 43.80 10.43 24.91 36.11 117.24 -134.02 -104.48 129.44 1.43 98.57 0.00 1.41 0.05 0.00 0.00 0.00 0.00 98.35 0.18 47 I E E 4.43 25.25 18.15 44.11 124.09 -169.23 -119.11 135.06 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 48 A E E 16.80 12.73 25.73 39.52 117.91 -146.89 -101.51 131.43 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 49 V E E 7.09 22.35 19.18 41.91 120.63 -164.15 -114.85 130.05 0.41 99.59 0.00 0.36 0.02 0.00 0.00 0.00 0.00 99.61 0.01 50 H E E 42.83 12.52 19.13 32.84 115.12 -155.35 -103.99 121.17 6.73 93.22 0.05 5.46 0.83 0.16 0.01 0.03 0.00 93.33 0.19 51 N E E 60.11 9.62 16.70 27.85 101.51 175.56 -107.83 24.32 42.39 56.98 0.63 28.75 9.25 4.53 0.07 0.63 0.00 56.01 0.76 52 G C T 43.49 6.31 15.01 22.08 99.01 -89.40 77.60 -14.50 98.59 0.52 0.88 1.90 34.52 62.11 0.02 1.00 0.00 0.34 0.10 53 R C T 178.24 1.39 15.33 16.50 103.72 36.01 -99.22 -26.06 98.63 0.66 0.71 2.03 39.02 57.61 0.02 0.76 0.00 0.45 0.11 54 Q E E 116.52 2.23 16.93 19.49 127.37 31.99 -126.70 146.55 28.96 70.93 0.11 20.70 8.14 0.72 0.02 0.10 0.00 69.62 0.70 55 H E E 87.81 14.78 11.41 25.78 120.29 -132.18 -102.80 133.92 7.49 92.50 0.01 6.83 0.34 0.02 0.00 0.00 0.00 92.57 0.24 56 V E E 51.79 9.08 18.63 29.24 120.67 -169.16 -122.97 126.83 2.28 97.72 0.00 2.04 0.08 0.00 0.00 0.00 0.00 97.86 0.02 57 P E E 71.52 9.25 19.70 29.54 114.86 -121.40 -69.81 139.85 1.54 98.46 0.00 1.44 0.02 0.00 0.00 0.00 0.00 98.53 0.01 58 V E E 16.79 20.40 15.58 35.99 127.42 -174.34 -127.62 141.45 0.59 99.41 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.41 0.02 59 F E E 94.17 7.51 25.18 33.20 115.92 -133.91 -95.20 130.22 1.45 98.55 0.00 1.38 0.04 0.00 0.00 0.00 0.00 98.49 0.09 60 V E E 7.64 24.66 12.97 38.22 113.71 -140.20 -93.31 124.47 30.56 69.41 0.03 29.82 0.57 0.03 0.01 0.01 0.00 69.02 0.54 61 T C C 46.48 5.94 22.68 28.90 134.37 170.56 -129.24 171.51 95.37 4.47 0.16 91.53 4.02 0.17 0.07 0.07 0.00 3.69 0.43 62 D H G 97.36 7.75 15.13 24.29 91.13 -96.61 -60.48 -31.94 20.88 0.16 78.96 1.13 2.70 17.01 9.45 69.56 0.00 0.11 0.05 63 E H G 144.45 1.63 19.33 20.60 90.87 60.04 -70.09 -21.23 19.85 0.11 80.04 0.69 1.53 17.53 9.70 70.45 0.00 0.07 0.03 64 M H G 30.53 17.73 13.56 31.41 96.54 47.02 -96.80 -7.09 18.89 0.38 80.73 1.84 2.09 14.91 10.74 70.02 0.00 0.27 0.12 65 V C T 41.96 17.30 13.70 30.96 112.60 112.38 -65.47 134.02 77.48 5.28 17.24 5.64 6.05 65.38 11.21 6.20 0.15 2.98 2.38 66 G C T 37.30 7.46 20.23 28.64 95.20 21.76 83.02 -3.68 86.84 1.14 12.02 6.25 7.31 73.08 6.99 5.14 0.01 0.72 0.51 67 H C C 74.48 11.31 17.22 29.07 109.07 121.56 -77.27 -23.31 64.24 4.09 31.67 39.20 11.77 13.61 19.68 11.44 0.03 1.94 2.33 68 K H H 101.20 9.31 20.76 29.92 102.74 -97.23 -68.79 -32.79 42.43 9.77 47.79 12.24 9.89 20.65 27.21 18.00 1.94 4.66 5.42 69 L H H 49.34 17.11 16.39 32.61 99.44 -13.95 -68.96 -6.82 42.21 4.16 53.64 6.51 8.35 25.29 27.60 26.19 1.34 2.31 2.40 70 G H G 26.62 12.37 17.43 29.65 97.29 38.91 16.30 -18.99 43.45 2.40 54.16 9.22 8.45 25.46 20.61 33.52 0.22 1.24 1.28 71 E C T 99.98 7.54 18.41 26.63 93.56 74.45 -73.08 -22.55 54.99 2.57 42.44 10.12 10.68 33.30 14.64 28.21 0.18 1.47 1.40 72 F C T 97.21 9.96 15.97 26.47 99.93 44.36 -100.22 -1.23 63.32 5.06 31.62 15.77 16.17 32.46 11.17 18.82 0.26 2.58 2.77 73 A C C 35.34 13.11 11.80 25.56 118.71 95.79 -93.14 140.33 90.50 4.78 4.72 45.20 41.19 4.35 2.34 2.17 0.00 2.22 2.53 74 P C C 86.51 5.55 14.45 21.27 104.17 -116.04 -68.16 83.98 87.39 3.66 8.95 51.74 18.55 17.09 2.63 6.45 0.00 2.23 1.31 75 T C C 84.37 6.39 12.34 20.11 109.41 68.90 -92.86 123.31 81.72 9.18 9.10 51.71 15.23 14.66 2.72 6.58 0.01 5.78 3.31 76 R C C 141.40 6.24 11.93 19.69 110.44 -154.16 -96.63 101.50 80.23 12.91 6.87 57.79 15.94 5.93 3.22 3.90 0.01 8.83 4.39 77 T C C 88.13 4.44 12.56 18.75 117.30 94.61 -103.91 130.89 79.85 14.37 5.78 59.96 14.61 4.97 3.11 2.81 0.00 10.66 3.88 78 Y C C 133.47 7.43 10.23 19.04 114.43 -145.66 -92.13 127.60 76.45 14.54 9.01 57.59 12.16 5.84 6.18 3.26 0.01 10.04 4.93 79 R C C 159.22 3.18 11.92 16.69 111.31 -160.78 -96.69 102.52 74.76 8.21 17.03 45.05 15.16 14.69 12.03 5.21 0.02 5.37 2.46 80 G C C 44.09 4.60 12.54 18.49 114.15 -6.01 104.20 -169.17 71.45 4.76 23.79 32.74 20.64 18.97 16.20 7.01 0.04 2.69 1.70 81 H C C 114.28 5.59 11.47 18.41 108.60 -60.87 -85.05 114.74 62.29 5.18 32.53 37.32 13.66 11.82 23.86 8.31 0.05 2.89 2.09 82 A C H 61.49 5.03 12.31 18.74 102.49 75.50 -74.01 -20.69 53.52 3.00 43.48 33.33 10.98 9.94 33.52 9.41 0.03 1.62 1.17 83 A H H 62.35 4.64 12.17 18.32 98.44 57.07 -71.66 -26.61 48.44 1.88 49.68 28.40 11.05 10.05 39.45 9.30 0.03 0.99 0.74 84 D C H 81.15 5.15 11.40 18.07 100.32 62.21 -78.06 -13.63 50.09 1.55 48.37 33.48 8.35 8.77 39.85 8.11 0.01 0.82 0.61 85 K H H 125.39 3.81 11.42 16.68 98.61 68.54 -74.10 -22.87 45.48 1.57 52.95 29.31 8.22 9.12 44.58 7.32 0.02 0.82 0.62 86 K H H 134.77 2.55 11.44 15.16 99.09 61.20 -78.67 -18.19 45.58 2.02 52.40 28.75 8.32 9.84 43.75 7.44 0.02 1.07 0.81 87 A C H 66.19 4.54 8.72 15.00 101.65 68.18 -79.22 -10.02 51.50 1.92 46.59 30.28 9.85 12.31 37.64 8.11 0.02 1.01 0.78 88 K C C 145.04 2.44 8.96 12.97 103.88 69.00 -85.53 23.37 62.84 2.44 34.72 35.06 11.91 16.29 26.94 7.45 0.02 1.24 1.08 89 K C C 150.49 2.09 8.19 11.98 109.23 91.43 -86.71 119.57 79.25 1.80 18.95 63.84 2.75 12.76 15.27 3.45 0.00 0.91 1.01 90 K C C 150.26 2.47 10.25 14.38 109.11 -143.09 -86.53 118.71 99.86 0.07 0.07 99.63 0.14 0.14 0.04 0.01 0.00 0.03 0.01