# 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 M C C 47.21 15.41 20.08 35.18 120.75 -160.93 -109.67 138.16 98.74 1.26 0.00 98.45 0.33 0.04 0.00 0.00 0.00 1.15 0.03 1 Y E E 54.42 14.12 21.58 35.81 130.72 -168.01 -124.38 147.05 6.64 93.36 0.00 6.55 0.13 0.01 0.00 0.00 0.00 93.17 0.14 2 A E E 5.37 21.73 19.53 41.54 128.46 -165.57 -126.74 144.17 0.47 99.53 0.00 0.43 0.00 0.00 0.00 0.00 0.00 99.56 0.00 3 I E E 25.38 14.14 24.97 39.89 116.93 -146.33 -106.13 126.60 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 4 I E E 6.52 23.22 18.65 42.21 122.35 -168.98 -116.25 133.34 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 5 E E E 63.17 9.22 22.75 32.86 114.85 -149.84 -102.65 123.53 1.34 98.66 0.00 1.08 0.05 0.00 0.00 0.00 0.00 98.86 0.01 6 T E E 22.46 18.27 12.81 30.77 119.17 173.58 -131.40 117.15 11.42 88.48 0.10 7.46 2.53 0.99 0.01 0.11 0.00 88.66 0.23 7 G C T 52.95 4.33 15.80 21.35 95.21 -24.55 57.68 31.67 99.22 0.47 0.32 0.55 7.75 90.96 0.01 0.36 0.00 0.33 0.04 8 G C T 63.45 1.29 14.95 16.06 96.39 -44.82 81.64 1.01 99.60 0.18 0.22 0.71 8.74 90.13 0.00 0.27 0.00 0.12 0.02 9 K E E 117.65 3.79 15.05 20.72 125.25 99.60 -112.75 143.22 9.37 90.62 0.01 7.23 1.53 0.08 0.00 0.01 0.00 90.99 0.15 10 Q E E 97.88 9.71 13.95 24.84 118.61 -132.52 -99.40 132.75 2.21 97.79 0.00 1.92 0.06 0.00 0.00 0.00 0.00 98.01 0.01 11 I E E 33.03 15.29 15.42 31.65 125.00 -169.44 -123.08 136.76 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 12 K E E 116.58 5.80 23.18 29.87 114.42 -136.59 -92.06 129.05 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 13 V E E 8.59 23.71 12.14 35.80 127.20 -172.82 -123.84 142.74 1.22 98.78 0.00 1.23 0.02 0.00 0.00 0.00 0.00 98.69 0.06 14 E C C 103.74 3.58 23.88 27.20 124.99 -149.61 -109.14 151.41 57.39 42.60 0.02 57.04 0.60 0.05 0.00 0.01 0.00 41.65 0.65 15 A C T 60.50 11.04 13.96 25.65 109.76 -83.67 -59.55 134.65 99.15 0.68 0.17 0.24 1.67 97.53 0.00 0.10 0.00 0.40 0.05 16 G C T 51.45 2.76 18.65 21.87 96.11 22.96 87.93 -6.57 99.71 0.21 0.08 0.33 1.93 97.52 0.00 0.06 0.00 0.15 0.01 17 Q C C 75.90 8.96 15.76 26.05 119.97 123.70 -81.16 148.59 95.84 4.13 0.04 88.48 7.22 0.14 0.01 0.03 0.00 3.78 0.34 18 E E E 103.02 8.73 18.61 28.40 118.99 -132.34 -100.65 133.97 20.63 79.33 0.04 21.11 0.28 0.03 0.02 0.02 0.00 77.05 1.49 19 I E E 17.64 20.87 15.23 36.03 126.20 -170.81 -124.04 139.33 6.36 93.58 0.05 6.03 0.25 0.04 0.03 0.02 0.00 93.46 0.18 20 Y E E 108.97 8.01 23.75 32.18 116.87 -144.14 -103.32 127.52 4.80 95.11 0.08 4.55 0.23 0.05 0.04 0.03 0.00 94.91 0.19 21 V E E 10.85 23.04 14.25 37.41 118.83 -166.46 -114.03 125.47 15.03 84.40 0.56 14.43 0.67 0.21 0.29 0.23 0.00 83.70 0.47 22 E E E 93.64 6.27 22.64 29.03 117.84 -145.53 -86.10 148.92 44.43 54.30 1.27 28.86 12.08 2.92 0.24 1.09 0.00 54.36 0.46 23 K C C 110.82 10.35 19.37 29.68 109.79 -71.00 -70.37 119.11 59.80 39.17 1.02 44.81 11.39 2.92 0.15 1.08 0.00 38.66 0.99 24 L C C 32.25 19.32 13.29 32.02 118.78 -167.64 -106.98 131.73 67.79 31.69 0.51 62.58 3.86 0.65 0.15 0.40 0.00 27.63 4.73 25 A C C 78.58 3.46 22.42 26.35 111.03 -132.40 -83.95 119.05 88.86 10.93 0.21 73.04 14.02 1.85 0.05 0.22 0.00 9.39 1.42 26 G C C 20.29 13.17 14.15 27.84 141.27 115.04 -161.84 174.22 96.44 3.47 0.09 73.57 22.36 0.95 0.02 0.10 0.00 1.76 1.26 27 E C C 126.67 2.21 21.21 22.82 122.68 -86.09 -100.98 151.23 98.43 1.47 0.11 94.72 3.33 0.31 0.03 0.06 0.00 0.61 0.95 28 V C T 87.34 9.84 12.91 23.83 109.70 -86.27 -58.91 134.26 99.44 0.37 0.19 0.46 2.42 96.70 0.01 0.13 0.00 0.19 0.09 29 G C T 49.74 3.10 17.93 21.75 95.77 23.29 87.79 -6.06 99.77 0.14 0.08 0.49 2.35 96.97 0.00 0.07 0.00 0.10 0.01 30 D C C 59.77 8.39 15.52 25.54 120.19 125.83 -77.12 150.76 95.43 4.55 0.02 90.87 4.29 0.11 0.00 0.02 0.00 4.50 0.20 31 V E E 78.27 8.93 18.80 28.78 120.81 -136.79 -105.92 133.25 5.29 94.70 0.01 5.32 0.12 0.00 0.00 0.00 0.00 94.11 0.44 32 V E E 13.03 21.22 15.24 36.61 124.43 -166.60 -119.72 137.45 0.43 99.57 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 33 T E E 62.38 7.87 24.64 32.98 119.13 -153.06 -109.05 129.08 0.62 99.38 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.40 0.02 34 F E E 12.12 23.55 13.64 37.30 120.72 -163.95 -111.41 131.77 5.16 94.83 0.01 4.91 0.16 0.01 0.00 0.00 0.00 94.79 0.12 35 D E E 81.34 5.32 23.59 29.28 99.33 -159.52 -84.96 -27.53 24.69 75.22 0.09 13.49 10.04 0.57 0.01 0.08 0.00 75.70 0.11 36 K E E 78.45 9.34 24.02 33.70 130.60 16.55 -138.89 139.35 18.73 81.15 0.11 12.42 5.28 0.39 0.01 0.08 0.00 81.70 0.11 37 V E E 6.98 24.63 18.25 43.13 121.15 -158.86 -114.19 130.42 3.59 96.38 0.03 3.50 0.15 0.02 0.01 0.01 0.00 96.21 0.10 38 L E E 17.42 17.12 25.33 42.43 119.78 -158.63 -109.50 131.27 0.64 99.36 0.00 0.57 0.04 0.00 0.00 0.00 0.00 99.36 0.03 39 F E E 27.92 19.29 23.25 41.99 119.84 -157.72 -108.88 130.60 0.61 99.38 0.00 0.54 0.03 0.00 0.00 0.00 0.00 99.41 0.02 40 V E E 20.40 17.49 20.27 37.92 122.82 -169.28 -119.59 132.42 5.62 94.36 0.02 4.66 0.57 0.07 0.00 0.01 0.00 94.49 0.19 41 G C E 21.25 12.78 18.23 31.22 136.79 148.42 -144.65 170.58 50.93 48.83 0.24 33.70 13.77 2.72 0.02 0.24 0.00 49.01 0.53 42 G C S 38.20 6.73 16.94 24.48 124.06 27.00 118.63 -153.80 90.93 7.73 1.34 21.22 44.36 25.40 0.10 1.46 0.00 6.64 0.81 43 D C S 124.84 1.49 15.85 17.36 97.33 -25.88 -82.65 -11.35 95.93 1.57 2.50 17.14 41.78 37.04 0.30 2.31 0.00 1.02 0.43 44 S C C 72.26 4.15 16.76 21.92 118.27 28.19 -121.97 127.28 87.17 11.10 1.73 40.14 24.44 22.67 0.29 1.61 0.00 10.07 0.79 45 A E E 36.34 17.46 12.16 28.88 120.72 -158.02 -105.55 133.98 49.23 50.10 0.68 43.20 3.68 1.04 0.19 0.38 0.00 50.66 0.83 46 K E E 101.06 7.85 20.86 29.69 124.73 -170.34 -121.13 137.19 13.82 85.72 0.45 12.11 1.31 0.35 0.31 0.20 0.00 83.51 2.21 47 V E E 56.15 15.68 15.77 31.13 122.36 -162.19 -115.51 132.11 17.00 82.49 0.51 13.58 2.72 0.90 0.32 0.27 0.00 80.17 2.03 48 G C S 28.59 8.88 19.26 28.60 128.56 40.52 111.26 -170.58 75.33 24.44 0.24 30.88 40.23 4.05 0.05 0.21 0.00 23.83 0.76 49 V C C 82.83 6.65 19.35 26.68 116.92 -39.71 -87.37 137.88 89.62 9.85 0.53 44.83 42.34 2.98 0.12 0.42 0.00 8.14 1.17 50 P C C 61.35 12.66 16.27 28.99 102.94 -104.59 -66.77 40.12 84.15 9.93 5.92 41.58 25.66 17.38 0.95 5.43 0.01 7.24 1.74 51 F C C 81.78 12.68 19.59 31.82 103.40 102.99 -86.89 -7.99 67.50 24.76 7.74 31.80 20.91 16.70 1.69 6.08 0.22 15.08 7.53 52 V C C 16.70 22.64 13.71 35.60 107.73 56.54 -99.87 59.63 65.47 27.12 7.41 40.28 16.44 9.45 1.79 5.85 0.06 18.38 7.75 53 E C T 130.75 3.84 20.75 25.85 111.44 97.06 -72.06 132.51 81.26 16.96 1.78 10.26 14.67 57.08 0.32 1.41 0.01 14.16 2.09 54 G C T 45.79 4.56 21.06 26.00 96.79 16.95 83.84 -2.08 88.18 11.15 0.66 9.27 20.41 57.95 0.05 0.69 0.00 11.18 0.45 55 A C C 10.36 22.63 12.56 34.78 117.95 143.34 -81.38 143.15 79.68 20.25 0.07 74.83 2.90 0.20 0.01 0.05 0.00 21.68 0.33 56 T E E 54.17 8.64 26.52 35.70 124.30 -161.27 -119.46 136.88 3.48 96.51 0.01 3.36 0.14 0.01 0.00 0.00 0.00 96.29 0.20 57 V E E 4.58 25.95 16.78 43.37 124.21 -167.03 -120.97 133.87 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 58 T E E 41.07 8.93 27.46 37.33 120.91 -164.86 -115.07 132.91 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 59 A E E 4.36 25.67 15.88 41.87 130.15 -174.15 -126.83 148.76 0.31 99.69 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 60 K E E 85.78 6.64 27.05 34.48 123.05 -157.18 -120.98 134.58 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 61 V E E 19.81 21.95 14.04 36.09 110.11 -122.68 -79.63 122.58 0.33 99.67 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 62 E E E 89.24 5.74 20.91 27.45 100.14 176.28 -92.89 -34.29 6.55 93.43 0.02 3.42 2.50 0.22 0.00 0.01 0.00 93.81 0.04 63 K E E 100.09 4.36 22.44 27.42 137.71 0.14 -151.08 151.39 9.52 90.46 0.02 3.93 4.64 0.41 0.00 0.02 0.00 90.92 0.09 64 Q E E 81.97 15.91 14.19 29.27 121.79 -148.51 -111.58 132.66 18.74 81.17 0.09 15.29 2.60 0.33 0.01 0.07 0.00 81.46 0.24 65 G E E 22.27 9.37 17.66 27.97 135.24 154.27 -136.90 175.84 28.16 71.72 0.12 23.74 3.56 0.41 0.03 0.08 0.00 71.50 0.67 66 R E E 148.72 5.16 17.32 24.07 119.11 -85.49 -101.99 136.25 26.42 73.45 0.13 22.10 3.96 0.37 0.04 0.10 0.00 70.79 2.65 67 A E E 34.60 14.20 11.79 26.23 124.14 -155.70 -101.94 151.81 44.13 55.61 0.26 36.18 6.53 0.65 0.06 0.20 0.00 55.52 0.85 68 K E E 122.17 4.94 18.29 24.13 114.26 -107.03 -79.31 142.98 42.52 57.08 0.40 34.89 5.84 0.68 0.09 0.28 0.00 57.71 0.51 69 K E E 99.97 9.67 14.79 25.33 117.00 -116.81 -86.51 138.42 24.47 75.03 0.51 21.46 2.26 0.42 0.18 0.30 0.00 74.83 0.55 70 L E E 49.33 12.51 13.94 27.71 121.04 -148.24 -110.43 133.71 6.24 93.30 0.45 5.83 0.42 0.14 0.23 0.20 0.00 92.84 0.33 71 T E E 53.52 7.95 17.18 26.85 117.89 -150.46 -104.20 129.72 3.49 96.27 0.24 3.25 0.18 0.05 0.10 0.08 0.00 96.23 0.12 72 V E E 44.05 11.50 14.32 27.49 119.83 -164.48 -111.93 131.29 3.93 95.86 0.21 3.49 0.26 0.06 0.07 0.08 0.00 95.94 0.10 73 Y E E 89.07 8.07 15.19 25.10 122.48 -166.68 -115.76 138.33 6.47 93.29 0.24 5.70 0.55 0.14 0.08 0.11 0.00 93.17 0.25 74 K E E 98.12 7.25 14.07 22.96 120.95 -156.84 -112.06 134.68 20.18 79.48 0.34 16.26 3.43 0.62 0.10 0.21 0.00 78.95 0.43 75 Y E E 105.97 7.27 10.64 19.79 117.43 -148.19 -102.62 136.20 46.14 53.36 0.50 35.37 9.66 1.36 0.14 0.39 0.00 51.94 1.15 76 K C C 115.97 3.75 10.40 15.89 116.13 -134.83 -91.75 138.38 76.29 20.83 2.87 49.69 19.97 6.31 0.62 2.41 0.00 19.60 1.41 77 P C T 103.76 2.51 8.96 12.94 100.97 -108.71 -66.00 -13.88 82.17 3.91 13.93 21.64 25.04 35.97 2.08 11.62 0.01 2.75 0.88 78 K C T 163.50 0.96 8.95 10.17 104.37 48.42 -90.16 26.01 79.04 4.76 16.21 25.50 21.44 32.73 2.24 13.82 0.01 3.04 1.21 79 K C T 142.12 2.13 8.45 11.98 107.53 42.76 -93.71 53.29 81.25 4.87 13.88 16.27 21.54 43.89 1.75 12.04 0.01 3.33 1.16 80 N C T 119.06 2.32 9.48 13.22 101.71 -118.10 -82.90 51.03 84.23 8.67 7.09 22.33 19.34 42.68 0.94 6.36 0.01 7.41 0.93 81 Y C C 122.27 5.66 8.87 16.43 119.65 147.41 -104.75 135.75 59.64 36.79 3.57 45.95 9.28 4.31 0.88 2.97 0.01 33.73 2.87 82 H E E 120.80 4.75 10.76 17.41 119.92 -161.22 -111.91 137.51 46.33 52.09 1.59 38.50 5.11 2.37 0.40 1.13 0.00 51.04 1.45 83 K E E 116.34 6.06 11.35 19.32 120.83 -160.73 -108.83 136.31 37.34 61.78 0.88 30.88 4.79 1.47 0.22 0.63 0.00 61.25 0.76 84 K E E 114.45 7.38 12.06 21.05 120.28 -156.04 -109.45 135.17 29.85 69.43 0.72 24.11 4.22 1.18 0.17 0.51 0.00 69.18 0.63 85 Q E E 108.59 5.53 14.18 21.50 122.82 -164.50 -115.69 138.59 23.62 75.96 0.42 18.22 4.01 0.91 0.09 0.30 0.00 75.89 0.58 86 G E E 29.35 10.08 12.61 23.51 131.72 -154.11 -139.59 171.88 17.87 81.89 0.24 14.57 2.73 0.37 0.08 0.16 0.00 81.50 0.58 87 H E E 103.97 7.00 16.14 24.48 123.75 -123.15 -116.19 142.49 14.43 85.45 0.12 13.21 0.97 0.15 0.05 0.08 0.00 83.04 2.50 88 R E E 113.22 10.92 14.29 25.87 118.19 -130.06 -93.22 135.66 39.06 60.85 0.08 34.87 3.60 0.26 0.02 0.06 0.00 58.66 2.51 89 Q C C 69.23 11.49 15.47 27.78 117.29 -133.79 -93.20 133.55 75.66 24.32 0.02 70.48 4.37 0.12 0.00 0.02 0.00 24.55 0.46 90 P C C 63.51 9.60 17.83 28.13 107.12 -120.33 -69.25 134.37 73.15 26.80 0.04 60.21 10.54 0.41 0.00 0.06 0.00 28.45 0.33 91 Y E E 70.53 13.43 17.68 31.37 131.99 18.79 -132.18 150.76 14.67 85.30 0.03 12.50 1.75 0.13 0.00 0.03 0.00 85.13 0.45 92 T E E 24.41 16.83 17.59 34.89 125.24 -147.35 -115.38 141.25 2.69 97.31 0.00 2.52 0.08 0.00 0.00 0.00 0.00 97.33 0.07 93 K E E 77.55 11.12 22.65 34.05 122.97 -156.48 -115.87 136.31 1.05 98.95 0.00 0.93 0.05 0.00 0.00 0.00 0.00 99.01 0.01 94 L E E 15.46 22.18 17.28 39.34 119.99 -157.10 -110.69 128.74 0.81 99.19 0.00 0.75 0.02 0.00 0.00 0.00 0.00 99.23 0.01 95 T E E 47.31 8.26 24.96 33.87 117.81 -156.90 -106.98 126.61 0.58 99.42 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.01 96 I E E 15.71 22.43 12.89 35.41 112.76 -147.59 -97.55 121.49 1.23 98.77 0.00 1.19 0.02 0.00 0.00 0.00 0.00 98.75 0.03 97 D E E 84.02 4.14 21.49 25.95 100.45 176.53 -93.16 -31.88 8.40 91.56 0.03 5.26 2.37 0.17 0.00 0.02 0.00 92.14 0.03 98 A E E 51.29 4.93 22.60 28.16 139.75 1.54 -155.07 155.21 7.07 92.88 0.05 5.17 1.25 0.17 0.00 0.04 0.00 93.31 0.05 99 I E E 38.92 20.90 11.23 30.95 120.54 -149.27 -116.53 127.99 7.56 92.41 0.03 7.03 0.39 0.04 0.01 0.01 0.00 91.74 0.77 100 N E E 88.29 4.89 18.41 24.05 119.22 -165.42 -110.47 132.66 30.75 69.19 0.06 29.27 0.87 0.18 0.02 0.04 0.00 68.59 1.04 101 A C C 66.59 8.78 14.06 23.51 106.10 -126.48 -81.65 91.94 99.63 0.37 0.00 99.59 0.09 0.01 0.00 0.00 0.00 0.29 0.01