# 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 46.33 15.45 20.03 35.20 121.62 -160.66 -110.54 138.39 98.52 1.48 0.00 98.12 0.42 0.05 0.00 0.00 0.00 1.38 0.04 1 Y E E 55.66 13.89 21.65 35.68 130.61 -163.11 -125.43 146.65 5.85 94.15 0.00 5.77 0.12 0.00 0.00 0.00 0.00 93.97 0.13 2 A E E 5.34 21.75 19.31 41.39 128.42 -164.95 -126.39 143.86 0.38 99.62 0.00 0.36 0.00 0.00 0.00 0.00 0.00 99.64 0.00 3 I E E 26.99 13.58 24.90 39.37 116.67 -147.22 -105.82 126.08 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 4 I E E 6.69 23.18 18.33 41.85 122.35 -169.34 -116.79 133.39 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 5 K E E 73.26 8.83 22.71 32.28 115.24 -148.82 -103.12 124.12 0.88 99.11 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.24 0.01 6 T E E 23.45 18.04 12.50 30.27 119.35 173.57 -132.07 118.88 9.12 90.82 0.06 6.11 1.89 0.52 0.00 0.06 0.00 91.21 0.19 7 G C T 53.08 4.18 15.66 21.01 95.71 -22.76 57.96 29.56 99.29 0.47 0.24 0.45 6.73 92.18 0.00 0.27 0.00 0.33 0.04 8 G C T 64.19 1.18 14.78 15.62 96.83 -41.38 81.25 0.81 99.67 0.16 0.16 0.58 7.13 91.97 0.00 0.19 0.00 0.12 0.02 9 K E E 117.01 3.87 14.67 20.46 125.16 98.54 -110.59 143.32 7.91 92.07 0.01 6.13 1.16 0.06 0.00 0.01 0.00 92.51 0.13 10 Q E E 98.87 9.45 13.87 24.57 119.27 -136.42 -102.25 132.81 1.65 98.34 0.00 1.45 0.04 0.00 0.00 0.00 0.00 98.50 0.01 11 I E E 33.89 15.00 15.33 31.34 125.11 -169.99 -123.50 137.29 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 12 K E E 116.30 5.76 22.98 29.64 114.65 -135.01 -92.37 129.49 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 13 V E E 9.41 23.45 12.04 35.32 128.33 -173.92 -124.89 145.26 1.37 98.63 0.00 1.39 0.02 0.00 0.00 0.00 0.00 98.54 0.05 14 E C C 102.28 3.69 23.47 26.92 125.19 -151.79 -110.08 152.54 54.33 45.65 0.02 53.88 0.60 0.05 0.00 0.01 0.00 44.81 0.64 15 E C T 109.40 9.80 14.07 24.83 109.80 -82.84 -59.57 133.50 99.13 0.70 0.16 0.28 1.78 97.36 0.00 0.10 0.00 0.42 0.05 16 G C T 51.72 2.74 18.32 21.53 96.06 21.87 87.60 -6.23 99.71 0.21 0.08 0.34 2.06 97.37 0.00 0.06 0.00 0.15 0.01 17 Q C C 76.30 8.80 15.46 25.67 119.94 124.22 -80.49 148.14 95.69 4.27 0.04 86.73 8.80 0.16 0.01 0.03 0.00 3.90 0.37 18 T E E 73.96 8.81 18.16 28.03 119.72 -134.75 -103.12 133.48 26.02 73.94 0.04 26.72 0.30 0.04 0.01 0.01 0.00 71.47 1.44 19 V E E 17.66 20.17 14.89 35.05 125.35 -170.53 -123.29 139.08 8.11 91.83 0.06 7.59 0.34 0.05 0.03 0.03 0.00 91.71 0.26 20 Y E E 113.28 7.60 23.03 31.18 117.31 -145.78 -104.31 127.25 5.51 94.40 0.09 5.15 0.29 0.06 0.05 0.03 0.00 94.19 0.23 21 I E E 16.73 21.81 13.99 35.73 118.94 -167.03 -114.39 124.60 14.91 84.50 0.59 14.30 0.67 0.22 0.30 0.25 0.00 83.76 0.50 22 E E E 97.79 5.79 21.94 27.93 117.14 -154.36 -85.87 149.27 43.32 55.37 1.30 27.74 12.16 2.89 0.24 1.08 0.00 55.45 0.43 23 K C C 114.23 9.17 18.87 28.45 111.60 -50.07 -68.82 122.48 56.91 42.00 1.10 43.19 10.40 2.95 0.16 1.10 0.00 41.22 0.98 24 L C C 34.44 18.71 12.55 30.75 117.50 -164.68 -106.72 131.86 63.85 35.62 0.53 58.44 3.95 0.67 0.18 0.39 0.00 31.73 4.63 25 A C C 83.88 2.45 22.45 24.62 104.82 -130.31 -82.88 87.14 87.90 11.87 0.23 72.34 14.13 1.59 0.06 0.23 0.00 10.35 1.32 26 A C C 22.54 16.96 10.95 27.63 132.95 130.86 -129.83 159.70 91.85 8.05 0.09 80.15 12.06 0.39 0.02 0.07 0.00 2.46 4.84 27 E C C 127.76 1.93 21.03 21.87 119.40 -109.38 -85.86 151.64 98.45 1.40 0.15 96.88 1.32 0.33 0.04 0.07 0.00 0.65 0.71 28 A C T 66.48 9.10 12.69 23.02 109.18 -83.38 -59.04 134.04 99.52 0.27 0.21 0.30 2.16 97.19 0.01 0.14 0.00 0.14 0.06 29 G C T 52.66 2.52 17.39 20.32 95.59 22.09 87.72 -5.84 99.76 0.13 0.11 0.45 2.06 97.30 0.00 0.09 0.00 0.09 0.01 30 E C C 80.30 7.97 14.99 24.63 120.83 123.85 -81.89 150.07 94.49 5.48 0.03 90.38 3.77 0.13 0.00 0.03 0.00 5.42 0.26 31 T E E 74.15 8.55 18.07 27.83 121.85 -138.36 -108.67 138.66 8.43 91.56 0.01 8.56 0.18 0.01 0.00 0.00 0.00 90.66 0.59 32 V E E 14.91 20.61 14.88 35.60 125.93 -166.42 -121.96 140.04 0.71 99.29 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.29 0.02 33 T E E 63.69 7.66 24.21 32.39 119.20 -153.63 -109.61 129.66 0.92 99.08 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.10 0.02 34 F E E 13.71 23.26 13.49 36.78 120.15 -163.80 -109.72 131.02 5.09 94.89 0.01 4.86 0.16 0.01 0.00 0.01 0.00 94.82 0.14 35 E E E 105.29 5.30 23.38 29.04 99.39 -162.01 -87.42 -29.17 20.12 79.77 0.11 11.30 8.13 0.59 0.01 0.09 0.00 79.77 0.11 36 D E E 54.77 9.77 23.54 33.57 130.02 17.33 -138.29 140.00 16.10 83.78 0.12 10.69 4.45 0.39 0.01 0.08 0.00 84.29 0.09 37 V E E 8.03 24.12 18.40 42.62 121.35 -158.43 -113.69 130.87 3.42 96.56 0.03 3.30 0.15 0.02 0.01 0.01 0.00 96.42 0.09 38 L E E 16.24 17.51 24.86 42.44 119.64 -157.36 -107.79 131.22 0.66 99.34 0.00 0.60 0.03 0.00 0.00 0.00 0.00 99.34 0.03 39 F E E 27.49 19.03 23.60 42.12 120.02 -160.03 -108.80 130.41 0.56 99.44 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.45 0.03 40 V E E 19.46 17.87 20.37 38.40 122.65 -169.43 -120.01 130.89 5.25 94.73 0.02 4.34 0.53 0.06 0.00 0.01 0.00 94.89 0.17 41 G E E 20.19 13.20 18.38 31.77 137.74 153.65 -151.68 172.51 49.48 50.33 0.19 32.56 13.75 2.38 0.02 0.20 0.00 50.62 0.48 42 G C S 37.42 7.22 17.13 25.09 122.10 44.14 109.56 -155.41 89.18 9.70 1.11 24.98 43.28 20.95 0.09 1.23 0.00 8.60 0.87 43 D C S 121.17 1.83 16.39 18.41 98.75 -22.71 -85.29 -9.28 96.09 1.84 2.08 17.80 44.03 34.32 0.24 1.93 0.00 1.25 0.43 44 N C C 101.59 4.17 17.04 22.27 118.34 23.10 -121.20 128.26 85.32 13.24 1.44 39.21 25.24 20.86 0.22 1.35 0.00 12.31 0.81 45 V E E 49.25 17.07 11.97 28.54 119.64 -151.96 -107.44 130.75 43.37 56.19 0.43 38.44 3.09 0.68 0.14 0.24 0.00 56.58 0.83 46 K E E 102.49 7.45 20.33 28.85 122.24 -169.00 -118.01 133.17 12.25 87.46 0.29 10.93 1.00 0.23 0.20 0.12 0.00 85.36 2.16 47 V E E 59.45 14.83 14.50 29.28 120.86 -164.78 -116.58 131.56 16.98 82.60 0.41 13.67 2.62 0.84 0.25 0.23 0.00 80.51 1.88 48 G C S 35.62 6.23 19.04 25.70 124.18 32.17 107.38 -166.92 74.80 25.03 0.17 27.79 42.23 4.29 0.03 0.17 0.00 24.79 0.70 49 N C S 101.78 4.87 19.75 25.48 114.26 -32.81 -89.84 132.96 90.93 8.97 0.10 35.60 53.66 1.79 0.01 0.10 0.00 8.21 0.63 50 P C C 46.87 17.39 14.56 31.08 106.35 -126.91 -70.54 122.66 89.55 9.96 0.48 52.89 31.32 5.33 0.06 0.53 0.00 8.95 0.91 51 T C C 62.76 9.46 21.94 31.53 118.03 52.97 -103.75 128.99 54.56 44.72 0.71 40.91 10.36 3.05 0.21 0.65 0.00 32.67 12.15 52 V C C 16.29 22.89 13.02 35.31 115.45 -164.95 -110.71 116.83 51.14 48.25 0.61 43.79 5.00 1.03 0.21 0.51 0.00 41.15 8.31 53 E C T 131.91 3.19 21.39 25.42 113.18 -141.45 -79.98 133.80 63.56 35.77 0.67 14.94 17.10 33.15 0.08 0.61 0.00 32.51 1.62 54 G C T 46.20 4.15 20.91 25.38 97.55 15.89 82.39 0.82 77.78 21.93 0.30 9.93 31.05 35.31 0.01 0.33 0.00 22.96 0.40 55 A C C 10.98 22.23 12.11 33.80 119.79 147.34 -84.50 145.62 71.23 28.73 0.05 66.34 2.74 0.14 0.00 0.04 0.00 30.46 0.28 56 T E E 55.47 8.01 26.22 34.84 122.31 -156.62 -117.77 136.39 3.03 96.97 0.00 2.95 0.11 0.01 0.00 0.00 0.00 96.78 0.15 57 V E E 4.87 25.85 16.42 42.91 123.89 -166.93 -119.95 133.18 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 58 T E E 41.56 8.72 27.24 36.86 121.54 -167.04 -115.85 133.19 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 59 A E E 4.87 25.42 15.68 41.31 129.32 -173.84 -125.79 147.59 0.38 99.62 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 60 K E E 86.86 6.54 26.80 34.06 123.23 -160.64 -120.64 134.31 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 61 V E E 21.30 21.62 13.85 35.50 110.45 -123.43 -80.86 122.52 0.56 99.44 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.43 0.01 62 E E E 89.91 5.65 20.59 27.03 100.54 176.26 -93.28 -33.11 8.24 91.73 0.03 5.33 2.34 0.19 0.00 0.02 0.00 92.06 0.05 63 K E E 102.52 4.36 21.72 26.70 136.82 -0.05 -149.54 150.93 10.87 89.09 0.04 5.97 4.17 0.39 0.00 0.03 0.00 89.30 0.13 64 Q E E 85.85 14.83 13.94 28.20 121.13 -146.68 -109.26 132.65 21.30 78.55 0.15 17.55 2.97 0.47 0.02 0.11 0.00 78.56 0.31 65 G E E 23.57 8.90 17.16 27.08 136.42 166.46 -139.01 175.69 32.22 67.60 0.18 26.61 4.49 0.63 0.05 0.13 0.00 67.36 0.72 66 R E E 149.94 4.86 16.68 23.17 119.01 -86.35 -101.34 137.15 29.81 69.99 0.20 24.62 4.86 0.55 0.06 0.15 0.00 67.07 2.69 67 A E E 38.20 13.19 11.47 25.06 123.99 -158.33 -107.40 151.63 46.38 53.27 0.35 36.72 8.27 0.90 0.09 0.27 0.00 52.81 0.94 68 K E E 124.14 4.76 17.44 23.22 114.95 -108.40 -82.79 142.00 45.90 53.68 0.43 37.60 6.23 0.74 0.10 0.30 0.00 54.50 0.55 69 K E E 104.35 8.97 14.09 24.10 116.26 -115.73 -82.87 137.72 29.15 70.18 0.67 25.42 2.76 0.56 0.25 0.40 0.00 69.96 0.65 70 I E E 55.92 11.33 13.25 26.07 119.28 -149.06 -108.94 131.77 8.64 90.68 0.68 7.95 0.63 0.24 0.44 0.29 0.00 89.98 0.47 71 T E E 57.96 7.36 16.23 25.33 117.71 -151.87 -104.10 129.32 4.70 94.84 0.45 4.36 0.28 0.10 0.26 0.16 0.00 94.65 0.19 72 V E E 50.72 10.32 13.64 25.72 119.83 -163.32 -111.57 131.21 5.14 94.51 0.35 4.63 0.35 0.10 0.15 0.13 0.00 94.47 0.17 73 F E E 88.65 7.37 14.04 23.30 121.80 -167.95 -115.38 137.53 9.13 90.50 0.37 8.08 0.80 0.23 0.14 0.17 0.00 90.24 0.35 74 R E E 121.63 6.14 13.46 21.29 120.71 -156.04 -110.84 133.68 25.50 74.04 0.47 20.34 4.46 0.84 0.14 0.29 0.00 73.41 0.51 75 Y C E 116.41 6.53 10.03 18.45 116.61 -145.84 -99.11 132.89 50.95 48.42 0.63 38.79 10.45 1.69 0.16 0.49 0.00 47.16 1.25 76 K C C 117.08 3.60 9.82 15.23 116.60 -142.57 -97.33 138.13 78.20 18.96 2.85 50.70 20.49 6.71 0.65 2.31 0.00 17.72 1.41 77 P C T 106.91 2.15 8.70 12.27 99.81 -109.57 -64.75 -12.78 83.71 3.67 12.62 23.27 25.65 35.33 2.24 10.08 0.01 2.59 0.83 78 K C T 165.22 0.86 8.81 9.84 105.87 49.36 -89.25 36.76 81.13 4.71 14.16 26.98 22.55 32.34 2.37 11.53 0.01 3.06 1.16 79 K C T 144.59 2.03 8.50 11.92 107.30 35.55 -98.94 96.71 81.79 5.45 12.76 18.80 23.59 40.17 2.13 10.30 0.02 3.79 1.20 80 N C T 118.63 2.31 9.71 13.36 102.17 -116.94 -79.74 57.39 83.07 10.47 6.47 26.67 20.25 36.64 1.27 5.19 0.01 8.98 1.00 81 V C C 78.17 6.28 8.49 16.61 119.23 162.06 -106.22 137.93 59.37 37.16 3.47 46.84 8.50 3.54 1.30 2.37 0.01 34.62 2.83 82 H E E 119.96 4.45 11.03 17.41 119.95 -164.25 -111.24 136.42 44.46 53.27 2.27 37.31 4.73 2.18 0.87 1.34 0.00 51.94 1.62 83 K E E 118.85 6.17 11.17 19.21 120.45 -158.00 -110.69 134.53 39.21 59.51 1.28 33.21 4.37 1.43 0.48 0.76 0.00 58.90 0.85 84 K E E 113.47 7.19 12.09 20.90 120.97 -159.10 -109.85 136.03 34.10 64.70 1.20 27.38 5.01 1.45 0.41 0.70 0.00 64.37 0.68 85 Q E E 111.71 5.37 14.04 21.21 120.96 -159.96 -110.91 137.92 28.27 70.95 0.78 21.54 4.91 1.31 0.23 0.48 0.00 70.81 0.72 86 G E E 28.70 10.14 12.34 23.32 130.28 -158.52 -122.94 170.02 21.76 77.80 0.45 17.39 3.69 0.66 0.16 0.29 0.00 77.08 0.74 87 H E E 105.28 6.78 15.78 23.89 122.88 -118.41 -113.74 142.52 17.89 81.88 0.23 15.98 1.51 0.31 0.10 0.16 0.00 78.77 3.18 88 R E E 111.50 10.98 13.66 25.33 117.56 -132.77 -94.61 136.84 43.41 56.49 0.11 37.90 4.70 0.42 0.03 0.09 0.00 54.46 2.40 89 Q C C 80.11 9.52 16.09 26.58 117.52 -134.59 -93.58 136.33 72.03 27.95 0.02 65.54 5.46 0.15 0.00 0.02 0.00 28.37 0.45 90 P C C 60.42 10.51 17.03 28.13 112.25 -112.65 -69.21 144.58 67.91 32.06 0.03 62.20 3.52 0.17 0.00 0.03 0.00 33.71 0.37 91 Y E E 67.67 13.55 17.29 31.28 132.86 -164.83 -133.37 151.70 11.59 88.39 0.02 10.60 0.81 0.05 0.00 0.01 0.00 87.69 0.84 92 T E E 28.25 16.20 17.67 34.37 123.13 -138.63 -110.29 139.37 4.86 95.13 0.00 4.57 0.16 0.01 0.00 0.00 0.00 95.15 0.12 93 K E E 74.72 11.33 22.55 34.11 123.37 -158.29 -116.74 136.71 3.29 96.71 0.00 2.88 0.19 0.01 0.00 0.00 0.00 96.89 0.04 94 V E E 15.82 21.81 16.97 38.89 119.15 -152.33 -107.79 128.68 2.26 97.74 0.00 2.14 0.04 0.00 0.00 0.00 0.00 97.80 0.01 95 T E E 44.57 8.45 24.49 33.68 118.66 -159.80 -110.02 127.77 0.84 99.16 0.00 0.80 0.01 0.00 0.00 0.00 0.00 99.17 0.02 96 I E E 21.86 21.09 12.93 34.04 112.03 -142.05 -93.30 120.81 0.93 99.06 0.00 0.91 0.01 0.00 0.00 0.00 0.00 99.05 0.03 97 E E E 105.42 4.22 20.37 25.12 100.39 177.84 -92.21 -34.38 5.88 94.10 0.02 3.65 1.53 0.11 0.00 0.01 0.00 94.67 0.02 98 K E E 108.73 3.55 22.20 26.18 136.83 0.14 -152.62 151.88 5.65 94.32 0.03 4.10 0.95 0.12 0.00 0.02 0.00 94.77 0.04 99 I E E 42.33 20.61 10.40 29.69 120.44 -152.89 -117.07 127.19 7.31 92.66 0.02 6.83 0.36 0.04 0.00 0.01 0.00 92.19 0.58 100 N E E 88.25 4.55 18.00 23.32 120.49 -168.77 -113.12 134.13 31.76 68.18 0.06 29.99 0.90 0.22 0.02 0.04 0.00 67.90 0.93 101 A C C 68.88 8.02 13.95 22.78 107.55 -119.10 -78.71 113.84 99.56 0.44 0.00 99.54 0.10 0.02 0.00 0.00 0.00 0.34 0.01