# 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 89.65 4.69 14.05 20.27 112.60 -115.26 -70.61 146.06 99.91 0.04 0.04 99.76 0.12 0.07 0.02 0.00 0.00 0.02 0.01 1 R C C 140.47 6.10 10.56 18.42 114.49 -127.30 -89.05 133.56 86.19 3.43 10.38 82.05 1.40 3.70 6.08 3.21 0.00 1.65 1.92 2 S C C 58.39 4.93 11.94 18.50 119.67 -142.39 -98.96 149.90 72.47 7.43 20.10 57.39 7.91 6.59 8.91 11.38 0.00 4.17 3.63 3 L C G 99.37 8.54 10.06 19.60 96.24 -126.18 -70.38 -19.15 48.90 4.89 46.21 22.26 11.33 17.48 10.36 33.89 0.07 3.11 1.49 4 K C G 148.91 2.56 13.27 17.06 97.42 67.92 -76.87 -16.69 49.41 6.06 44.53 17.96 11.54 22.50 10.18 31.97 0.14 3.99 1.71 5 K C G 134.58 3.57 13.16 18.08 103.94 68.35 -91.04 7.01 57.26 6.26 36.48 22.45 18.74 18.87 8.64 25.08 0.19 3.41 2.63 6 G C C 28.72 8.63 12.17 22.06 130.15 -126.71 120.71 -175.31 90.77 3.85 5.38 43.02 31.18 16.63 0.89 4.58 0.00 2.02 1.69 7 P C T 83.99 6.42 15.43 22.84 100.72 -30.36 -72.46 -2.15 92.23 2.97 4.80 25.00 31.74 35.84 0.63 4.13 0.00 1.83 0.81 8 F C C 97.26 10.40 15.96 26.76 107.35 65.67 -94.20 70.77 68.94 25.07 5.99 33.89 17.26 20.30 1.68 4.28 0.07 16.38 6.14 9 I C C 47.69 16.25 13.17 29.31 118.02 139.31 -98.56 128.80 70.73 27.52 1.75 58.64 9.80 0.98 1.40 0.60 0.00 16.40 12.18 10 D C C 57.89 9.69 16.65 27.57 107.67 -130.72 -85.41 113.49 94.33 4.28 1.40 93.58 1.11 0.41 1.03 0.18 0.00 2.84 0.84 11 L H H 92.29 6.81 15.80 24.22 93.74 -164.61 -66.23 -32.91 8.42 0.06 91.51 3.01 0.89 4.37 89.94 1.74 0.00 0.03 0.02 12 H H H 112.94 2.90 19.12 21.94 91.60 57.42 -64.56 -38.89 4.06 0.02 95.92 0.81 0.33 2.77 93.98 2.08 0.00 0.01 0.01 13 L H H 22.98 15.30 15.61 31.66 92.29 50.94 -65.50 -41.11 1.21 0.01 98.78 0.29 0.10 0.73 96.91 1.97 0.00 0.01 0.00 14 L H H 37.83 14.51 16.31 31.28 91.75 52.56 -63.10 -42.02 0.55 0.00 99.45 0.13 0.04 0.31 98.97 0.54 0.00 0.00 0.00 15 K H H 116.89 2.18 22.59 23.46 91.65 50.58 -64.05 -41.32 0.61 0.00 99.39 0.11 0.04 0.39 99.24 0.21 0.00 0.00 0.00 16 K H H 89.87 6.25 21.07 27.78 91.64 49.73 -64.88 -41.39 0.58 0.00 99.42 0.11 0.04 0.37 99.35 0.12 0.00 0.00 0.00 17 V H H 11.79 19.64 15.48 35.44 91.77 50.16 -64.07 -42.85 0.26 0.00 99.74 0.06 0.02 0.14 99.74 0.05 0.00 0.00 0.00 18 E H H 87.85 5.93 20.92 27.41 91.37 50.88 -63.13 -41.75 0.22 0.00 99.78 0.03 0.01 0.12 99.79 0.04 0.00 0.00 0.00 19 K H H 108.75 2.03 21.69 22.10 91.70 49.76 -64.52 -41.37 0.34 0.00 99.66 0.04 0.02 0.23 99.63 0.07 0.00 0.00 0.00 20 A H H 13.93 11.14 13.61 27.22 91.52 50.89 -63.61 -41.38 0.55 0.00 99.44 0.09 0.04 0.34 99.41 0.12 0.00 0.00 0.00 21 V H H 60.02 10.62 13.59 24.99 92.40 49.51 -65.06 -40.94 1.35 0.01 98.64 0.20 0.09 0.93 98.49 0.29 0.00 0.00 0.00 22 E H H 150.27 1.01 15.62 15.73 91.94 50.41 -66.75 -33.09 5.35 0.02 94.63 0.30 0.30 4.50 94.55 0.33 0.01 0.01 0.01 23 S C H 76.21 2.01 13.13 15.52 94.52 48.11 -86.83 -4.91 50.07 0.09 49.84 1.39 2.96 43.18 51.58 0.77 0.02 0.02 0.07 24 G C T 59.72 1.72 13.16 15.81 94.46 -114.37 76.46 15.30 98.99 0.07 0.94 12.86 7.43 78.87 0.49 0.28 0.00 0.04 0.03 25 D C C 67.66 7.19 10.81 19.82 112.48 141.81 -85.10 124.47 98.65 0.48 0.88 83.09 12.10 3.31 0.24 0.71 0.00 0.21 0.35 26 K C C 144.25 4.67 14.26 20.86 97.94 -169.22 -93.99 -3.46 98.88 0.57 0.54 74.14 21.76 2.86 0.10 0.54 0.00 0.28 0.33 27 K C C 118.09 3.63 18.35 23.12 118.28 109.81 -88.09 141.38 98.96 1.00 0.04 56.31 42.67 0.22 0.01 0.03 0.00 0.58 0.19 28 P C C 57.01 12.63 16.29 29.26 116.05 -105.00 -65.86 148.95 96.05 3.92 0.02 91.16 4.85 0.14 0.00 0.02 0.00 3.58 0.25 29 L E E 23.05 20.97 14.17 35.20 115.17 -121.92 -89.18 133.50 17.86 82.09 0.04 16.81 0.60 0.04 0.03 0.02 0.00 72.76 9.74 30 R E E 126.18 6.65 23.46 30.98 116.99 -144.19 -96.89 132.02 18.88 81.08 0.03 18.13 0.76 0.05 0.02 0.02 0.00 79.05 1.98 31 T C E 26.58 20.81 13.19 33.19 125.93 -163.97 -116.87 143.51 50.75 49.02 0.23 46.12 3.18 0.46 0.06 0.18 0.00 48.08 1.92 32 W C C 131.16 7.14 20.22 28.04 103.24 -164.42 -99.44 -7.48 77.39 21.87 0.74 43.86 30.15 4.32 0.13 0.72 0.00 18.82 2.00 33 S C C 36.62 12.24 15.92 28.84 124.00 49.34 -118.13 139.49 87.59 10.64 1.77 55.37 25.52 6.76 0.31 1.72 0.00 8.41 1.92 34 R C S 131.57 10.03 16.21 26.82 99.31 -166.65 -94.53 -10.36 83.49 5.92 10.59 29.66 33.11 21.58 1.20 9.10 0.01 4.02 1.33 35 R C S 150.93 3.91 20.09 24.60 100.40 61.50 -90.93 17.60 83.26 5.96 10.77 24.34 38.21 21.63 0.95 9.47 0.01 4.22 1.17 36 S C C 25.39 17.66 13.52 30.96 119.54 108.42 -94.75 146.26 73.52 15.51 10.97 52.43 15.10 6.01 1.14 9.97 0.00 14.08 1.28 37 T E E 62.23 8.50 22.97 32.10 120.99 -142.95 -108.85 134.89 38.49 60.28 1.24 32.26 4.59 0.99 0.55 0.87 0.01 52.82 7.91 38 I E E 28.77 21.38 14.93 36.39 117.76 -153.61 -102.52 127.61 27.31 72.55 0.15 25.48 1.45 0.08 0.11 0.06 0.00 49.63 23.18 39 F C C 65.43 10.45 19.45 30.85 114.64 -141.79 -88.91 129.49 98.28 1.69 0.02 98.01 0.65 0.03 0.01 0.01 0.00 1.18 0.12 40 P H G 72.02 9.93 15.94 26.96 91.58 -126.15 -58.75 -31.67 13.20 0.17 86.63 1.16 1.11 9.15 1.02 87.41 0.00 0.14 0.01 41 N H G 106.66 3.93 20.29 25.23 89.38 63.91 -69.20 -15.56 12.62 0.10 87.28 0.35 0.70 10.41 0.81 87.65 0.00 0.08 0.01 42 M H G 15.47 21.19 13.76 35.49 94.33 57.63 -94.07 -6.37 11.37 0.15 88.48 1.13 1.06 7.17 0.81 89.71 0.00 0.10 0.01 43 I C T 62.49 14.09 15.72 30.43 112.83 116.74 -62.52 133.06 97.30 1.13 1.57 0.58 1.45 96.07 0.21 0.71 0.00 0.40 0.59 44 G C T 44.58 3.94 22.01 26.71 93.89 22.04 84.39 -3.14 99.53 0.20 0.27 0.29 1.70 97.68 0.01 0.17 0.00 0.13 0.02 45 L C C 26.59 17.70 15.58 33.83 120.29 127.85 -80.21 148.59 95.49 4.48 0.03 89.56 5.54 0.13 0.00 0.03 0.00 4.60 0.14 46 T E E 44.34 10.31 24.83 35.89 117.89 -135.51 -105.01 129.98 1.41 98.59 0.00 1.39 0.05 0.00 0.00 0.00 0.00 98.39 0.17 47 I E E 4.61 25.17 18.13 43.98 124.12 -169.25 -119.36 135.65 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 48 A E E 16.61 12.77 25.57 39.40 117.84 -146.46 -101.52 131.57 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 49 V E E 7.39 22.11 19.22 41.75 120.23 -164.44 -114.83 129.31 0.40 99.60 0.00 0.35 0.02 0.00 0.00 0.00 0.00 99.63 0.01 50 H E E 43.00 12.48 18.86 32.58 114.47 -153.92 -102.60 121.72 6.54 93.41 0.05 5.25 0.80 0.17 0.01 0.03 0.00 93.58 0.17 51 N E E 60.53 9.55 16.48 27.55 103.07 176.60 -109.75 33.48 36.59 62.63 0.78 22.58 9.48 5.64 0.08 0.79 0.00 60.68 0.74 52 G C T 44.81 5.82 15.02 21.62 98.65 -84.05 76.69 -17.52 98.61 0.47 0.92 1.84 27.84 68.81 0.03 1.08 0.00 0.32 0.10 53 R C T 179.21 1.43 15.16 16.43 103.41 29.50 -99.39 -21.41 98.69 0.59 0.72 2.03 32.35 64.28 0.02 0.81 0.00 0.41 0.10 54 Q E E 117.40 2.14 16.93 19.36 127.19 38.98 -125.95 146.82 24.47 75.44 0.09 17.31 7.07 0.64 0.01 0.08 0.00 74.20 0.68 55 H E E 87.83 14.68 11.35 25.65 119.26 -132.61 -101.93 133.40 6.97 93.03 0.01 6.27 0.34 0.02 0.00 0.00 0.00 93.12 0.24 56 V E E 51.02 9.12 18.45 29.16 120.61 -169.32 -122.85 127.03 2.89 97.11 0.00 2.57 0.09 0.00 0.00 0.00 0.00 97.31 0.02 57 P E E 72.77 8.82 19.93 29.34 114.77 -119.21 -69.44 140.05 1.98 98.02 0.00 1.82 0.03 0.00 0.00 0.00 0.00 98.13 0.01 58 V E E 15.60 20.90 15.29 36.15 127.46 -173.94 -127.79 140.98 0.68 99.32 0.00 0.64 0.01 0.00 0.00 0.00 0.00 99.33 0.02 59 F E E 94.49 7.28 25.36 33.13 116.04 -133.90 -95.18 131.02 1.41 98.58 0.00 1.33 0.03 0.00 0.00 0.00 0.00 98.54 0.09 60 V E E 8.02 24.73 13.02 38.35 113.39 -140.51 -94.13 124.52 27.70 72.28 0.03 26.84 0.58 0.03 0.01 0.01 0.00 71.97 0.57 61 T C C 46.21 5.91 22.57 28.87 134.39 166.00 -132.88 172.18 95.53 4.26 0.21 90.77 4.90 0.20 0.11 0.08 0.00 3.51 0.43 62 D H G 98.08 7.55 15.25 24.22 91.04 -97.43 -60.77 -32.02 22.87 0.15 76.98 1.08 2.89 19.06 12.36 64.47 0.00 0.10 0.05 63 E H G 144.63 1.60 19.41 20.57 90.99 59.25 -71.01 -22.62 21.74 0.10 78.16 0.65 1.57 19.56 12.23 65.88 0.00 0.07 0.04 64 M H G 30.26 17.68 13.79 31.62 96.59 45.79 -97.39 -8.47 20.50 0.40 79.10 1.85 2.11 16.59 13.21 65.80 0.01 0.28 0.16 65 V C T 38.28 18.00 13.86 31.77 112.86 111.35 -66.70 134.31 71.23 4.50 24.27 4.85 5.28 59.98 17.10 7.89 0.25 2.51 2.14 66 G C T 35.05 8.30 20.13 29.25 95.70 21.36 82.16 -2.71 80.27 1.09 18.64 5.35 6.12 67.97 11.21 8.10 0.04 0.69 0.52 67 H C C 79.56 10.43 17.88 28.91 96.34 113.74 -71.27 -33.50 54.90 3.78 41.32 26.93 10.53 18.18 23.63 16.87 0.08 2.06 1.72 68 K H H 100.16 9.60 20.63 30.04 95.81 43.75 -68.38 -33.24 42.23 7.08 50.69 10.49 9.11 22.41 28.45 20.64 1.47 4.05 3.38 69 L H G 42.01 17.97 15.82 32.94 95.41 47.25 -71.16 -22.86 43.37 3.83 52.80 6.64 8.71 26.32 26.32 26.55 1.22 2.15 2.09 70 G H G 28.48 11.64 17.42 29.09 96.85 53.29 -52.42 -23.97 47.97 2.50 49.53 10.66 9.31 27.89 17.62 31.72 0.20 1.31 1.30 71 E C T 103.66 6.92 18.61 26.23 93.70 69.80 -73.82 -22.32 56.54 3.20 40.26 12.17 11.52 32.95 12.12 27.67 0.15 1.84 1.58 72 F C T 91.37 11.02 15.27 26.70 99.65 45.36 -98.58 2.12 62.35 6.64 31.01 20.51 15.05 28.86 8.92 19.84 0.19 3.42 3.22 73 A C C 38.21 13.24 11.87 25.65 116.73 107.89 -84.53 139.04 91.14 5.45 3.41 53.75 34.72 3.03 1.68 1.63 0.00 2.78 2.41 74 P C C 84.69 5.86 13.67 20.92 110.29 -109.38 -69.14 146.35 88.48 5.71 5.80 66.40 13.12 8.79 1.78 4.14 0.00 3.85 1.91 75 T C C 95.89 4.66 11.49 17.86 111.88 -136.93 -96.84 120.81 83.51 10.75 5.74 61.48 12.78 8.85 1.70 4.23 0.01 7.12 3.83 76 R C C 144.43 5.32 10.26 17.33 119.79 -158.00 -108.03 137.49 81.08 14.96 3.97 58.69 16.93 5.10 1.48 2.67 0.01 10.64 4.48 77 T C C 102.21 2.57 10.44 14.91 117.56 -150.65 -104.04 132.29 79.74 16.90 3.35 60.55 14.51 4.48 1.21 2.24 0.00 13.16 3.86 78 Y C C 150.79 5.19 7.82 14.80 115.34 -146.59 -96.50 131.03 79.48 16.90 3.61 63.21 10.79 4.93 1.31 2.39 0.00 12.49 4.88 79 R C C 180.28 1.55 9.03 12.05 110.72 -160.32 -98.93 113.82 83.45 11.64 4.92 50.43 18.03 15.51 1.29 3.64 0.00 8.47 2.63 80 G C C 56.64 2.04 9.16 12.75 114.84 -55.56 103.10 169.64 85.30 10.11 4.59 41.99 24.43 19.92 0.85 3.73 0.00 7.05 2.02 81 H C C 148.00 2.53 7.56 11.99 112.56 -98.32 -95.42 123.66 87.89 8.58 3.54 78.28 3.35 6.38 0.92 2.17 0.00 6.00 2.90 82 A C C 82.38 3.07 10.49 15.31 112.20 -150.19 -95.38 133.06 99.78 0.20 0.02 99.67 0.13 0.06 0.01 0.00 0.00 0.12 0.02