# 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 75.92 4.13 13.07 18.54 114.54 -146.96 -91.90 133.34 99.84 0.14 0.02 99.79 0.08 0.04 0.01 0.00 0.00 0.07 0.02 1 I C C 115.89 4.95 9.20 15.79 111.14 -150.33 -91.18 115.11 87.04 4.83 8.13 76.45 2.84 8.01 1.69 6.02 0.00 3.32 1.68 2 K C C 136.84 3.70 10.25 15.82 113.83 -148.26 -91.16 132.76 81.22 10.77 8.01 50.12 17.20 14.18 1.16 7.00 0.00 7.57 2.75 3 K C C 147.78 3.03 12.18 17.11 114.99 -153.33 -97.12 132.56 79.33 13.80 6.87 46.67 24.26 9.03 1.18 5.79 0.01 8.76 4.30 4 G C C 31.48 8.36 12.88 22.36 132.10 -118.11 -120.10 177.44 88.69 10.97 0.34 48.46 38.92 1.99 0.07 0.30 0.00 8.74 1.53 5 P C C 74.21 8.11 15.95 24.87 110.32 -61.95 -72.13 143.01 87.43 12.20 0.37 60.49 22.95 3.76 0.06 0.38 0.00 11.35 1.02 6 F E E 89.84 11.67 16.41 28.46 120.87 -136.74 -102.85 135.55 37.89 61.75 0.36 30.68 4.53 0.88 0.20 0.24 0.00 47.20 16.27 7 V E C 42.62 15.98 14.74 30.72 124.44 -161.67 -117.30 139.58 46.34 53.51 0.14 44.33 1.61 0.13 0.09 0.07 0.00 42.05 11.72 8 D C C 54.66 10.05 16.06 27.31 109.50 -117.14 -77.34 121.45 94.35 5.42 0.23 94.35 0.77 0.09 0.13 0.04 0.00 4.17 0.47 9 E H H 122.02 4.48 15.95 22.05 93.29 -151.21 -63.53 -32.92 4.99 0.01 95.00 0.68 0.46 3.62 93.69 1.53 0.00 0.01 0.00 10 H H H 110.49 2.81 18.40 21.11 91.92 57.17 -64.83 -39.42 2.86 0.01 97.13 0.34 0.19 2.18 95.34 1.94 0.00 0.00 0.00 11 L H H 21.85 15.50 14.62 30.99 92.35 50.33 -65.33 -41.66 0.84 0.01 99.16 0.18 0.07 0.51 97.53 1.69 0.00 0.00 0.00 12 M H H 48.03 13.69 15.76 29.95 91.87 51.84 -63.30 -41.85 0.43 0.01 99.57 0.11 0.03 0.22 99.30 0.33 0.00 0.00 0.00 13 K H H 122.06 1.81 21.36 21.65 91.80 50.82 -64.13 -41.60 0.49 0.01 99.51 0.10 0.04 0.29 99.41 0.16 0.00 0.00 0.00 14 K H H 97.44 5.01 19.80 25.15 92.29 49.43 -65.29 -41.38 0.60 0.01 99.39 0.13 0.05 0.37 99.29 0.16 0.00 0.01 0.00 15 V H H 16.57 17.01 13.99 31.68 92.29 49.91 -64.81 -42.60 0.70 0.01 99.29 0.16 0.06 0.39 99.20 0.18 0.00 0.01 0.00 16 E H H 93.15 6.06 17.67 24.71 91.94 50.76 -64.28 -40.36 1.38 0.01 98.61 0.29 0.11 0.82 98.47 0.30 0.00 0.00 0.00 17 A H H 69.71 1.77 17.65 18.55 92.69 51.03 -66.06 -38.12 4.39 0.02 95.59 0.50 0.30 3.34 95.27 0.58 0.01 0.01 0.01 18 Q H H 80.14 8.10 13.43 22.63 94.36 51.40 -71.81 -30.54 11.17 0.07 88.76 1.14 1.00 8.62 88.36 0.80 0.02 0.02 0.03 19 E H H 99.79 8.24 12.11 21.18 98.11 57.13 -80.21 -9.00 41.74 0.51 57.75 7.12 6.49 27.86 56.61 1.38 0.06 0.17 0.31 20 G C T 55.66 2.27 13.21 16.26 101.11 57.65 36.92 1.81 81.11 0.78 18.11 28.97 10.42 41.37 15.71 2.74 0.00 0.33 0.45 21 S C C 67.35 4.53 9.57 15.75 113.22 97.59 -95.87 140.79 84.96 1.16 13.88 38.94 21.46 25.26 6.92 6.16 0.00 0.47 0.80 22 E C C 157.09 1.45 11.50 13.73 99.47 -130.63 -78.59 -0.91 88.49 0.74 10.77 30.20 29.04 29.61 3.02 7.30 0.00 0.32 0.49 23 K C C 128.50 3.72 11.60 16.92 113.21 101.05 -90.63 133.05 88.96 1.22 9.81 40.73 27.94 20.20 2.08 7.79 0.00 0.59 0.67 24 K C C 121.18 7.40 12.21 20.97 113.21 -129.08 -86.07 125.32 89.49 3.32 7.20 63.46 15.34 10.35 1.49 6.16 0.00 2.38 0.82 25 Q C C 86.48 8.57 15.95 25.51 119.49 -158.41 -106.39 141.16 82.23 14.34 3.42 57.33 20.02 4.89 0.76 2.61 0.00 13.07 1.32 26 V C C 62.23 11.12 17.29 29.18 117.61 -133.98 -97.92 131.02 54.26 45.16 0.58 47.35 5.43 0.69 0.16 0.35 0.00 44.87 1.15 27 I E E 27.72 19.20 15.11 34.62 118.17 -156.26 -104.80 129.38 16.87 83.03 0.10 16.05 0.80 0.09 0.06 0.04 0.00 81.78 1.18 28 K E E 104.66 7.82 22.83 31.34 117.03 -147.69 -95.99 129.60 10.12 89.82 0.06 9.61 0.48 0.06 0.03 0.02 0.00 89.01 0.78 29 T E E 25.82 20.17 14.43 34.08 128.09 -173.28 -123.17 143.34 27.37 72.51 0.12 25.37 1.51 0.18 0.04 0.07 0.00 71.53 1.31 30 W C C 126.81 7.79 21.25 29.55 103.69 -166.10 -100.63 -9.36 62.15 37.54 0.31 39.83 21.63 1.59 0.07 0.28 0.00 35.12 1.49 31 S C C 30.91 13.42 16.42 30.44 124.52 59.68 -116.62 143.63 81.39 17.71 0.89 59.69 18.45 3.03 0.14 0.94 0.00 16.30 1.44 32 R C S 126.89 9.85 17.79 28.05 98.43 -163.63 -87.79 -14.29 86.82 11.67 1.51 15.60 44.47 26.88 0.10 1.66 0.00 10.27 1.01 33 R C S 148.07 3.76 21.55 25.77 108.56 47.72 -100.83 81.13 82.64 16.13 1.23 21.41 35.98 25.25 0.06 1.51 0.00 15.02 0.78 34 S C C 17.56 19.99 13.49 33.00 128.82 149.70 -108.94 154.91 69.69 29.92 0.39 61.48 6.38 0.55 0.04 0.36 0.00 30.56 0.63 35 T E E 61.44 7.52 25.19 33.45 121.65 -141.72 -112.70 135.47 9.10 90.88 0.03 8.54 0.59 0.04 0.01 0.02 0.00 87.20 3.60 36 I E E 19.20 23.19 15.23 38.50 117.63 -151.82 -103.98 127.81 11.51 88.48 0.01 11.49 0.25 0.01 0.00 0.00 0.00 80.95 7.29 37 F C C 59.71 10.07 19.70 30.94 113.68 -128.03 -76.99 136.71 98.50 1.49 0.01 98.65 0.23 0.01 0.00 0.00 0.00 1.06 0.05 38 P H G 69.84 10.02 16.16 27.28 91.13 -122.56 -58.24 -30.58 10.18 0.09 89.73 0.59 0.69 7.26 0.65 90.75 0.00 0.07 0.00 39 N H G 106.67 3.64 20.60 25.04 89.16 64.54 -68.02 -15.76 9.19 0.06 90.75 0.19 0.42 7.69 0.51 91.13 0.00 0.04 0.00 40 F H G 15.57 21.35 13.57 35.53 94.37 57.45 -95.00 -6.74 9.37 0.10 90.53 0.88 0.84 5.77 0.62 91.81 0.00 0.07 0.01 41 I C T 62.37 14.47 15.06 30.06 112.92 114.81 -62.49 132.44 97.67 1.22 1.11 0.59 1.32 96.43 0.13 0.48 0.00 0.41 0.64 42 G C T 46.65 3.50 21.57 25.66 94.10 21.76 85.27 -3.89 99.59 0.23 0.18 0.25 1.75 97.70 0.01 0.12 0.00 0.16 0.01 43 H C C 49.13 15.12 16.15 31.71 122.34 125.66 -84.83 150.91 95.53 4.44 0.03 88.94 6.18 0.14 0.00 0.03 0.00 4.57 0.14 44 T E E 47.21 10.68 23.72 35.02 118.55 -132.84 -105.80 131.41 1.69 98.30 0.00 1.73 0.04 0.00 0.00 0.00 0.00 97.99 0.23 45 F E E 6.87 24.42 18.06 42.89 127.11 -171.72 -123.33 141.81 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 46 A E E 17.72 12.71 25.32 39.09 118.23 -139.14 -100.86 132.41 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 47 V E E 6.85 22.20 18.97 41.65 120.76 -163.65 -114.75 130.69 0.41 99.59 0.00 0.36 0.02 0.00 0.00 0.00 0.00 99.61 0.01 48 Y E E 50.24 12.29 18.80 32.44 116.32 -155.56 -105.12 124.21 7.83 92.11 0.06 6.15 1.11 0.21 0.01 0.04 0.00 92.27 0.21 49 D E E 58.66 9.10 16.62 27.21 102.56 176.92 -110.44 27.30 43.84 55.21 0.95 25.02 11.74 7.76 0.09 0.99 0.00 53.67 0.73 50 G C T 44.99 5.80 14.86 21.61 98.13 -83.79 76.68 -9.25 98.57 0.48 0.95 2.40 32.72 63.34 0.03 1.11 0.00 0.32 0.10 51 R C T 178.08 1.38 15.04 16.21 103.57 39.63 -100.88 -23.28 98.53 0.74 0.73 2.71 39.20 56.62 0.02 0.81 0.00 0.51 0.12 52 K E E 133.81 2.00 16.77 18.98 127.40 33.73 -127.17 146.86 30.62 69.27 0.11 21.88 8.64 0.76 0.02 0.10 0.00 67.86 0.73 53 H E E 90.17 14.33 11.36 25.36 119.24 -129.89 -99.39 134.09 8.41 91.58 0.01 7.66 0.40 0.03 0.00 0.00 0.00 91.63 0.29 54 V E E 48.77 9.50 18.06 29.23 120.50 -167.69 -121.96 126.15 2.85 97.15 0.00 2.54 0.09 0.00 0.00 0.00 0.00 97.34 0.03 55 P E E 73.75 8.26 20.11 28.99 114.77 -120.25 -69.33 140.56 1.99 98.01 0.00 1.86 0.03 0.00 0.00 0.00 0.00 98.10 0.01 56 V E E 14.93 21.17 15.09 36.17 128.57 -174.19 -129.49 143.40 0.61 99.39 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.38 0.01 57 Y E E 106.22 7.02 25.61 33.10 117.59 -134.56 -100.13 133.37 0.91 99.09 0.00 0.89 0.01 0.00 0.00 0.00 0.00 99.03 0.06 58 V E E 7.13 24.96 12.71 38.36 113.96 -140.46 -92.38 126.30 21.88 78.11 0.01 22.13 0.24 0.01 0.00 0.00 0.00 77.07 0.54 59 T C C 47.76 5.82 22.56 28.65 133.82 170.95 -128.02 169.33 94.35 5.56 0.09 93.19 1.67 0.08 0.02 0.05 0.00 4.67 0.34 60 E H G 122.14 7.73 14.95 24.08 90.90 -98.97 -59.50 -32.32 14.80 0.11 85.09 0.56 1.43 11.30 1.23 85.39 0.00 0.07 0.01 61 D H G 117.50 1.34 19.44 19.98 90.10 61.46 -70.53 -17.96 14.46 0.06 85.47 0.32 0.76 12.04 1.12 85.70 0.00 0.05 0.01 62 M H G 23.89 18.83 12.66 31.79 95.45 51.70 -95.98 -6.16 15.00 0.21 84.79 1.35 1.44 10.64 1.43 84.97 0.00 0.14 0.03 63 V C T 53.08 15.55 13.45 29.21 112.64 113.96 -63.42 134.08 93.06 4.49 2.45 3.56 4.16 86.00 0.77 1.17 0.01 1.99 2.35 64 G C T 46.96 4.23 20.71 25.82 94.26 22.09 84.45 -4.25 97.93 0.88 1.19 2.50 5.71 89.86 0.21 0.89 0.00 0.63 0.20 65 H C C 67.50 12.14 15.95 28.81 122.37 125.36 -86.30 152.08 93.30 4.11 2.59 76.98 13.96 2.20 1.23 1.33 0.00 1.98 2.32 66 K C B 97.22 7.76 21.49 29.64 115.86 -112.14 -80.66 143.85 51.51 39.70 8.79 34.25 8.91 4.88 4.53 3.82 0.03 8.16 35.41 67 L H G 36.69 20.62 14.23 34.25 100.98 -107.35 -63.23 -22.85 37.77 3.13 59.11 8.64 8.16 22.29 9.17 48.48 0.13 1.89 1.25 68 G H G 32.92 10.97 18.49 29.49 95.12 43.31 51.35 -13.21 30.63 1.30 68.07 6.18 5.19 19.27 9.67 58.36 0.03 0.79 0.49 69 E H G 110.30 5.54 19.47 25.77 93.21 75.48 -76.57 -19.03 31.26 1.81 66.93 8.55 6.84 16.54 9.41 56.83 0.05 1.09 0.68 70 F C G 80.18 12.72 14.76 27.75 100.84 46.82 -99.55 -3.05 54.74 7.33 37.93 20.96 16.18 19.54 9.55 26.16 0.24 3.29 4.08 71 A C C 35.93 14.32 11.65 26.15 118.78 97.68 -91.08 139.65 91.30 5.41 3.30 52.26 36.73 2.67 1.62 1.59 0.00 2.79 2.34 72 P C C 82.03 5.55 14.31 21.25 112.97 -107.24 -68.97 147.12 89.01 5.35 5.65 70.88 10.80 7.18 1.67 4.05 0.00 3.50 1.92 73 T C C 91.78 6.08 10.53 18.15 112.36 -135.38 -92.65 129.33 83.80 10.03 6.17 65.19 10.36 7.78 1.70 4.65 0.00 6.44 3.88 74 R C C 151.49 4.27 9.99 16.12 116.10 -155.15 -104.41 134.08 81.50 13.74 4.76 52.60 21.63 7.61 1.34 3.49 0.01 9.67 3.66 75 T C C 104.58 2.37 9.28 13.48 115.40 -150.70 -100.41 129.81 79.89 16.66 3.45 57.06 16.75 5.94 1.04 2.52 0.00 12.89 3.79 76 F C C 138.12 4.60 7.27 13.73 115.16 -153.36 -97.38 129.96 86.18 12.66 1.16 82.90 1.73 1.95 0.44 0.55 0.00 9.14 3.30 77 K C C 156.00 2.03 11.34 14.89 112.50 -150.57 -94.49 125.36 99.81 0.18 0.01 99.78 0.07 0.02 0.00 0.00 0.00 0.11 0.01