# 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 89.00 4.30 13.43 18.98 112.03 -113.93 -71.05 144.70 99.82 0.12 0.06 99.76 0.08 0.06 0.03 0.00 0.00 0.05 0.02 1 L C C 104.02 5.67 9.27 16.47 108.16 -122.60 -78.68 120.46 82.74 3.36 13.90 78.16 1.44 3.50 11.82 1.66 0.00 1.38 2.04 2 A C C 62.99 4.92 9.73 16.27 107.25 -109.85 -78.54 119.79 69.90 2.95 27.15 58.09 6.14 5.50 22.84 4.57 0.00 1.34 1.52 3 K H H 134.08 3.46 11.08 16.03 98.87 -128.09 -72.54 -24.73 25.44 1.50 73.06 11.03 5.30 9.63 51.13 21.38 0.12 0.92 0.50 4 D H H 92.62 4.31 11.18 17.06 97.34 61.58 -74.70 -16.85 21.53 1.09 77.38 8.04 3.52 9.21 52.70 25.41 0.08 0.72 0.31 5 L H H 94.31 6.19 11.46 18.97 96.48 65.82 -76.11 -18.65 23.67 0.94 75.39 6.27 4.10 12.24 51.98 24.35 0.16 0.54 0.36 6 L H H 92.81 6.31 12.94 20.41 98.84 55.47 -88.57 -12.23 42.85 2.18 54.97 9.36 13.72 22.58 41.58 9.83 0.57 0.86 1.50 7 H C S 107.63 5.70 12.74 20.04 113.98 63.59 -108.57 110.29 98.71 1.05 0.24 30.57 67.71 0.66 0.15 0.07 0.00 0.36 0.49 8 P C C 53.97 8.72 10.30 20.80 117.20 -129.90 -71.37 153.50 98.89 1.01 0.10 92.71 5.91 0.27 0.05 0.04 0.00 0.33 0.70 9 S C C 55.86 3.10 14.50 18.42 115.78 -103.74 -69.28 154.64 99.65 0.19 0.16 98.66 0.97 0.06 0.12 0.01 0.00 0.05 0.13 10 P H H 88.43 4.40 11.04 17.25 91.86 -110.00 -58.11 -37.63 5.04 0.02 94.94 1.50 0.73 2.69 93.38 1.67 0.00 0.01 0.01 11 E H H 129.23 1.28 13.42 14.36 92.29 52.81 -64.67 -39.50 3.19 0.04 96.77 0.88 0.34 1.93 94.86 1.96 0.01 0.02 0.01 12 E H H 95.45 2.51 13.06 16.40 92.29 49.20 -65.97 -39.47 1.85 0.07 98.09 0.67 0.24 0.97 95.92 2.14 0.00 0.06 0.01 13 E H H 71.16 6.31 10.87 19.16 92.15 52.00 -65.14 -40.32 2.01 0.06 97.94 0.76 0.24 1.00 96.81 1.13 0.00 0.04 0.01 14 K H H 116.79 3.23 13.21 17.47 92.45 51.67 -65.69 -38.38 4.44 0.09 95.47 1.12 0.42 2.74 94.32 1.31 0.01 0.05 0.02 15 R H H 151.93 1.49 14.12 15.29 92.88 50.45 -67.68 -36.66 9.05 0.07 90.88 1.34 0.76 6.45 89.91 1.45 0.01 0.03 0.03 16 K H H 122.22 3.13 13.54 17.59 94.23 51.82 -73.53 -29.71 23.23 0.27 76.50 4.49 3.08 15.45 74.96 1.74 0.04 0.11 0.14 17 H C H 87.32 7.70 10.01 19.07 101.13 58.22 -89.29 12.96 53.17 1.68 45.15 23.96 8.36 20.60 42.89 2.64 0.03 0.74 0.77 18 K C C 128.17 3.80 12.16 17.47 99.40 108.37 -73.39 -25.90 61.16 4.05 34.79 37.93 8.01 14.53 30.16 5.47 0.03 2.25 1.63 19 K C C 140.22 2.73 12.41 16.14 100.82 65.23 -78.66 -17.44 62.48 4.54 32.98 30.73 12.75 18.88 25.16 8.08 0.05 2.87 1.48 20 K C C 123.85 4.91 12.08 18.45 105.93 65.52 -87.95 55.17 65.97 7.33 26.70 38.11 14.15 13.48 18.64 8.45 0.07 4.95 2.14 21 R C C 131.42 6.14 12.52 20.11 112.41 85.89 -91.97 125.30 70.39 11.77 17.84 51.08 10.60 7.69 12.89 5.71 0.03 7.60 4.40 22 L C C 85.64 8.66 12.13 21.75 105.61 -141.69 -82.99 60.02 70.97 13.44 15.59 46.99 14.04 9.50 10.15 5.86 0.05 8.33 5.08 23 V C C 81.71 7.23 12.35 20.76 112.35 66.30 -89.65 127.90 81.05 7.06 11.90 37.71 22.23 22.08 6.10 5.31 0.03 4.24 2.31 24 Q C C 126.90 3.56 13.54 18.38 101.60 -76.85 -83.53 6.10 89.36 3.44 7.20 38.47 27.45 23.98 2.25 4.62 0.00 1.88 1.36 25 S C C 45.75 7.17 11.60 20.65 119.41 82.92 -117.96 134.45 96.27 2.97 0.76 58.13 36.27 1.90 0.22 0.48 0.00 1.16 1.83 26 P C T 95.55 4.50 13.10 19.23 95.69 -122.82 -64.94 -19.94 96.26 0.75 3.00 11.06 11.64 73.16 0.27 3.10 0.00 0.48 0.28 27 N C T 106.05 4.36 15.28 20.65 97.12 55.24 -90.88 7.18 96.02 1.47 2.52 11.68 11.62 72.43 0.25 2.57 0.00 1.08 0.36 28 S C C 30.61 13.80 12.37 26.96 119.95 111.03 -95.58 142.63 84.75 12.49 2.76 62.79 15.83 5.89 0.41 2.77 0.00 10.16 2.15 29 Y C C 94.63 9.82 19.14 29.45 128.43 -171.73 -124.68 146.49 65.31 34.08 0.62 46.01 16.66 2.45 0.11 0.59 0.00 32.71 1.46 30 F E E 70.35 15.61 16.52 31.73 121.74 -135.59 -107.68 136.42 15.95 83.95 0.09 14.19 1.25 0.15 0.02 0.07 0.00 83.44 0.87 31 M E E 54.18 12.51 18.39 31.55 123.69 -167.59 -119.10 140.87 4.76 95.23 0.01 4.21 0.36 0.02 0.00 0.01 0.00 95.10 0.29 32 D E E 80.74 8.42 20.37 29.09 112.11 -120.13 -85.70 124.44 2.57 97.42 0.01 2.17 0.29 0.02 0.00 0.01 0.00 97.46 0.05 33 V E E 25.61 17.45 15.03 32.79 125.29 -174.59 -122.93 138.62 3.22 96.77 0.00 2.96 0.13 0.01 0.00 0.00 0.00 96.77 0.12 34 K E E 118.79 5.01 21.34 27.16 116.81 -137.38 -97.81 130.28 10.04 89.95 0.01 9.22 0.46 0.02 0.00 0.01 0.00 88.74 1.55 35 C C C 14.18 19.89 10.30 29.84 113.79 -130.93 -82.49 131.97 92.75 7.23 0.02 91.82 1.19 0.09 0.00 0.01 0.00 6.52 0.36 36 P C T 85.73 4.79 16.91 22.62 109.39 -106.53 -62.14 135.20 97.86 0.75 1.39 1.37 8.70 87.52 0.04 1.66 0.00 0.57 0.13 37 G C T 58.57 1.79 16.16 17.78 95.91 16.42 85.73 -2.89 98.03 0.66 1.32 0.68 8.68 88.53 0.03 1.52 0.00 0.46 0.10 38 C C C 36.58 12.97 9.31 22.73 130.66 82.76 -123.99 158.07 83.36 14.07 2.57 37.85 34.44 11.63 0.29 2.73 0.01 8.69 4.35 39 Y C S 174.87 2.35 15.78 18.73 96.79 -137.62 -83.45 -7.59 89.81 9.82 0.37 25.13 57.79 6.87 0.04 0.40 0.00 8.97 0.80 40 K C C 112.64 4.81 16.63 22.66 121.24 90.89 -98.75 142.31 66.73 33.05 0.23 34.49 30.68 2.40 0.03 0.23 0.00 31.15 1.03 41 I E E 65.86 14.02 14.12 28.35 118.60 -141.57 -104.76 130.77 29.86 70.12 0.02 28.40 0.81 0.05 0.00 0.01 0.00 70.44 0.28 42 T E E 41.54 11.39 18.60 30.98 124.34 -168.84 -119.32 141.53 2.41 97.58 0.00 2.20 0.10 0.01 0.00 0.00 0.00 97.64 0.06 43 T E E 47.87 13.00 19.76 33.09 120.55 -138.02 -105.51 132.91 0.50 99.50 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 44 V E E 24.48 16.35 18.70 35.61 121.98 -167.67 -117.12 132.29 1.15 98.85 0.00 1.00 0.04 0.00 0.00 0.00 0.00 98.93 0.02 45 F E E 58.54 12.65 19.52 32.85 119.67 -156.85 -109.87 131.32 5.83 94.12 0.04 4.84 0.53 0.09 0.01 0.02 0.00 94.31 0.21 46 S E E 34.64 13.11 16.28 29.83 123.04 -175.95 -118.71 154.80 41.33 57.27 1.41 22.57 12.30 7.50 0.16 1.19 0.00 55.61 0.66 47 H C C 117.56 6.20 18.87 25.34 99.70 -108.15 -77.33 9.37 80.16 17.09 2.75 27.76 25.72 27.12 0.30 2.54 0.00 15.34 1.22 48 A C T 43.89 11.02 15.00 26.51 117.63 78.32 -100.81 143.89 93.36 3.93 2.71 24.80 33.57 34.98 0.24 2.78 0.00 3.03 0.60 49 Q C S 97.68 8.34 17.98 26.79 107.36 -112.90 -85.59 75.67 77.44 21.18 1.38 22.07 29.65 25.82 0.11 1.36 0.00 20.19 0.80 50 T E E 42.53 12.86 18.00 31.40 124.75 131.19 -116.47 140.75 24.16 75.60 0.25 17.81 5.10 1.21 0.04 0.22 0.00 75.21 0.41 51 V E E 36.52 14.11 20.72 35.45 120.15 -150.78 -109.05 130.87 4.27 95.71 0.02 3.84 0.21 0.02 0.00 0.01 0.00 95.81 0.11 52 V E E 12.17 19.91 19.76 40.00 120.58 -163.66 -112.68 129.02 1.02 98.97 0.01 0.92 0.04 0.00 0.00 0.00 0.00 99.00 0.03 53 L E E 49.49 11.00 23.84 35.48 119.17 -155.53 -108.16 130.99 1.90 98.08 0.02 1.74 0.12 0.02 0.01 0.01 0.00 97.96 0.16 54 C E E 11.10 19.89 13.95 34.36 113.76 -126.70 -78.07 135.82 29.32 70.59 0.09 27.58 1.06 0.20 0.02 0.06 0.00 70.11 0.98 55 V C T 77.56 8.92 18.21 27.61 107.91 -110.99 -66.51 128.75 95.07 4.01 0.92 1.91 14.00 79.37 0.04 0.91 0.00 3.45 0.34 56 G C T 56.44 2.44 18.60 21.06 98.09 18.49 86.49 -2.58 97.85 1.41 0.75 1.35 16.74 79.86 0.02 0.77 0.00 1.08 0.18 57 C C S 41.84 13.28 11.34 24.74 130.67 65.28 -127.54 156.71 91.00 7.68 1.32 24.82 42.33 23.96 0.11 1.55 0.00 5.58 1.64 58 S C S 86.22 2.91 18.36 21.98 95.14 -138.75 -84.02 -3.09 93.14 6.36 0.50 21.51 58.19 13.25 0.05 0.52 0.00 5.88 0.59 59 T C E 59.86 8.41 18.56 27.94 117.99 103.11 -90.28 139.39 62.73 36.99 0.29 33.30 25.88 3.52 0.03 0.30 0.00 35.91 1.06 60 V E E 44.80 15.57 17.77 33.53 111.48 -128.02 -84.61 125.87 5.93 94.03 0.04 5.62 0.35 0.06 0.01 0.03 0.00 93.02 0.91 61 L E E 24.10 17.15 20.91 38.21 99.42 -162.21 -91.03 -25.73 5.09 94.90 0.02 3.52 1.26 0.13 0.00 0.01 0.00 95.01 0.07 62 C E E 9.89 20.57 17.33 38.11 138.52 11.76 -147.13 151.97 0.94 99.05 0.01 0.83 0.07 0.01 0.00 0.01 0.00 99.04 0.03 63 Q E E 83.21 7.37 23.19 31.19 125.82 -158.09 -123.73 137.69 0.95 99.04 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.05 0.02 64 P E E 52.92 14.99 12.18 27.01 113.53 -113.15 -69.53 139.65 4.36 95.64 0.01 3.94 0.15 0.01 0.00 0.00 0.00 95.79 0.10 65 T E E 77.01 4.91 13.27 20.14 121.21 171.29 -134.78 123.89 14.90 84.85 0.25 11.12 3.41 0.99 0.06 0.24 0.00 81.99 2.18 66 G C T 68.27 0.50 13.92 12.44 94.23 -15.80 58.25 31.71 99.25 0.33 0.42 0.50 10.50 88.22 0.01 0.50 0.00 0.23 0.04 67 G C T 53.67 4.32 12.70 18.27 95.33 -48.10 81.92 2.13 99.45 0.14 0.41 0.65 11.40 87.35 0.01 0.47 0.00 0.09 0.02 68 K E E 116.24 3.28 17.44 21.99 127.83 94.71 -119.49 146.79 11.53 88.40 0.07 7.86 3.89 0.38 0.02 0.05 0.00 86.36 1.44 69 A E E 22.79 19.64 11.39 30.52 115.35 -118.89 -77.26 135.68 6.85 93.14 0.01 6.25 0.27 0.02 0.00 0.01 0.00 93.30 0.14 70 R E E 111.57 5.42 22.55 28.65 127.46 -171.69 -125.61 144.95 6.10 93.88 0.02 5.56 0.33 0.04 0.00 0.01 0.00 93.80 0.25 71 L E E 60.86 16.57 12.99 29.03 113.32 -113.51 -75.43 134.85 16.34 83.54 0.11 15.59 0.64 0.09 0.06 0.06 0.00 80.55 3.01 72 T C C 55.04 9.33 14.48 25.05 118.70 -139.96 -89.46 151.15 81.86 16.65 1.49 73.23 5.56 2.30 0.26 1.33 0.00 15.96 1.36 73 E C T 156.48 1.57 15.39 17.27 109.54 -81.19 -64.21 135.41 86.23 10.17 3.61 7.25 15.85 63.43 0.38 3.45 0.00 8.44 1.21 74 G C T 58.02 1.84 16.25 18.07 96.20 21.21 84.23 -1.43 90.34 6.44 3.23 11.42 16.32 62.55 0.31 3.21 0.00 5.56 0.64 75 C C C 32.54 17.66 9.66 26.40 114.86 129.61 -86.33 134.05 86.13 11.03 2.84 69.21 12.48 3.95 0.52 2.73 0.00 9.00 2.11 76 S C C 57.80 7.29 17.67 25.88 123.28 -168.03 -114.82 143.81 71.78 26.29 1.94 56.12 11.09 3.84 0.54 1.64 0.00 22.21 4.55 77 F C C 81.31 14.78 12.65 27.18 127.46 -170.01 -124.62 142.97 59.88 38.56 1.56 45.88 10.40 3.35 0.39 1.35 0.00 35.86 2.77 78 R E E 135.36 5.29 15.39 22.32 123.81 -164.01 -120.18 141.42 47.77 51.07 1.16 41.18 4.26 1.55 0.43 0.85 0.00 46.72 5.01 79 R C C 137.76 7.40 10.41 19.38 117.85 -134.90 -92.98 137.56 51.14 47.38 1.49 44.26 3.65 1.49 0.76 0.89 0.00 40.20 8.74 80 K C C 134.13 4.20 9.31 15.50 115.54 -136.93 -91.02 136.37 85.82 13.53 0.65 84.31 1.08 0.99 0.24 0.29 0.00 11.45 1.64 81 Q C C 144.05 1.88 11.66 14.86 109.51 -117.06 -78.47 122.61 99.89 0.09 0.01 99.84 0.07 0.03 0.00 0.00 0.00 0.06 0.00