# 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 76.23 12.67 17.87 30.34 120.48 -159.98 -103.06 131.22 99.91 0.09 0.00 99.85 0.07 0.03 0.00 0.00 0.00 0.05 0.01 1 F C C 106.32 8.95 20.61 29.58 111.51 -134.89 -90.69 119.20 93.69 6.06 0.26 90.37 2.39 1.29 0.09 0.11 0.00 3.55 2.18 2 V C C 11.27 23.93 10.94 34.24 120.28 -148.59 -103.77 135.58 87.81 12.06 0.13 82.40 4.44 0.16 0.07 0.05 0.00 3.37 9.52 3 K C C 105.58 3.98 23.51 27.61 129.13 -163.33 -115.95 157.51 99.01 0.96 0.03 98.83 0.40 0.04 0.01 0.01 0.00 0.30 0.41 4 K C T 124.04 8.45 15.03 24.81 110.04 -84.44 -59.74 134.92 99.65 0.25 0.10 0.13 0.93 98.74 0.00 0.05 0.00 0.12 0.03 5 G C T 44.25 3.92 19.23 24.01 96.21 25.54 89.51 -6.38 99.92 0.05 0.03 0.13 0.93 98.88 0.00 0.02 0.00 0.04 0.00 6 D C C 35.40 13.75 15.01 29.97 117.77 133.62 -70.90 146.04 97.85 2.15 0.00 97.07 0.87 0.02 0.00 0.00 0.00 1.97 0.06 7 K E E 101.48 7.44 23.97 31.86 115.32 -123.67 -86.82 132.46 2.41 97.58 0.01 2.49 0.07 0.01 0.01 0.00 0.00 96.45 0.97 8 V E E 4.26 25.09 16.13 41.72 133.84 -175.34 -134.68 154.69 1.39 98.60 0.01 1.25 0.07 0.01 0.00 0.01 0.00 98.60 0.05 9 K E E 70.53 9.59 26.48 36.81 121.42 -135.14 -110.05 134.81 2.30 97.61 0.09 2.09 0.18 0.07 0.03 0.05 0.00 97.47 0.12 10 V E E 10.27 22.28 16.01 38.98 109.47 -119.06 -76.15 123.98 18.81 81.10 0.09 18.57 0.50 0.07 0.03 0.05 0.00 79.87 0.92 11 I C C 54.90 10.62 21.41 32.94 99.73 176.20 -98.89 -26.13 91.69 8.07 0.24 62.02 26.95 2.54 0.04 0.26 0.00 7.63 0.56 12 T C S 58.74 5.40 22.14 28.27 140.68 12.37 -151.67 157.68 96.01 3.49 0.50 9.44 81.29 5.74 0.07 0.37 0.00 2.09 1.01 13 G C S 36.20 4.69 18.63 24.54 127.00 33.41 91.65 -162.72 94.31 1.50 4.19 6.56 78.14 10.03 0.40 3.26 0.00 0.60 1.01 14 K C T 152.42 2.63 18.44 21.54 93.68 -44.46 -70.09 -21.67 89.84 1.06 9.10 1.93 22.33 65.46 0.35 8.81 0.01 0.53 0.58 15 D C T 35.30 15.67 12.50 28.55 96.80 51.64 -99.78 11.71 91.69 1.24 7.07 6.13 12.68 71.62 0.38 7.94 0.00 0.79 0.46 16 K C T 97.11 10.95 13.59 25.54 110.74 137.30 -62.73 134.11 97.18 1.13 1.69 2.18 2.94 92.30 0.19 1.34 0.00 0.60 0.45 17 N C T 117.68 2.94 19.77 23.08 93.20 18.96 77.57 0.93 98.33 0.84 0.83 1.85 3.91 92.52 0.06 0.86 0.00 0.70 0.10 18 K C C 78.66 10.78 16.99 28.68 121.21 126.67 -84.65 146.94 95.61 4.23 0.15 90.51 4.33 0.62 0.02 0.14 0.00 4.12 0.25 19 E E E 100.66 9.49 20.72 31.20 126.12 -148.61 -113.60 144.91 7.97 92.00 0.03 7.61 0.46 0.04 0.02 0.01 0.00 90.35 1.51 20 G E E 8.95 14.21 21.38 36.40 144.77 134.90 -169.28 -176.20 1.49 98.50 0.01 1.20 0.13 0.01 0.00 0.00 0.00 98.64 0.02 21 V E E 52.22 9.12 25.88 36.06 119.93 -72.31 -101.64 138.05 0.47 99.53 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 22 V E E 4.98 24.98 15.26 41.46 108.94 -116.57 -75.00 123.89 0.48 99.51 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.01 23 L E E 63.30 8.71 23.64 33.13 100.65 175.25 -96.82 -32.42 1.26 98.73 0.00 0.83 0.25 0.01 0.00 0.00 0.00 98.90 0.01 24 A E E 40.82 7.12 25.96 34.26 141.13 0.30 -155.84 152.03 0.35 99.65 0.00 0.24 0.03 0.00 0.00 0.00 0.00 99.72 0.00 25 A E E 19.47 22.29 14.51 36.03 125.79 -163.88 -131.88 132.85 0.78 99.22 0.01 0.66 0.04 0.00 0.00 0.00 0.00 99.27 0.02 26 F E E 56.60 8.14 19.28 29.36 109.99 -161.50 -113.42 104.49 6.88 93.10 0.02 6.29 0.40 0.03 0.01 0.01 0.00 92.89 0.39 27 P C G 67.82 10.95 13.54 25.67 93.65 -175.65 -64.64 -31.41 50.28 1.06 48.66 1.86 2.80 42.21 0.48 51.70 0.00 0.84 0.10 28 K C G 167.03 0.72 16.33 15.45 93.00 53.34 -68.68 -34.76 52.71 0.33 46.96 0.83 2.18 46.73 0.48 49.50 0.00 0.20 0.07 29 Q C G 103.11 3.81 16.13 20.56 97.70 33.06 -97.87 -5.01 53.12 0.12 46.76 0.75 2.22 46.00 0.37 50.55 0.00 0.07 0.04 30 D C T 60.01 12.58 15.43 28.84 94.97 -126.47 56.62 43.02 99.62 0.10 0.28 2.88 2.64 94.17 0.03 0.19 0.00 0.07 0.01 31 K E E 49.20 12.04 21.85 34.70 135.66 126.57 -133.67 156.94 4.58 95.42 0.00 3.69 0.41 0.05 0.00 0.00 0.00 95.72 0.13 32 V E E 4.01 24.66 18.39 43.95 122.58 -144.77 -117.41 133.76 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 33 I E E 36.19 11.35 26.68 39.20 116.93 -152.42 -106.38 126.32 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 34 V E E 5.06 24.75 17.07 42.45 118.47 -168.16 -113.14 125.57 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 35 E E E 90.86 7.51 23.67 31.44 118.07 -150.79 -88.41 142.62 11.91 88.01 0.08 5.34 2.93 3.00 0.00 0.09 0.00 88.52 0.12 36 G C E 34.85 6.81 22.23 29.81 97.57 18.53 76.36 14.19 66.07 33.75 0.18 14.47 34.15 14.84 0.01 0.21 0.00 36.04 0.27 37 V C C 22.61 21.53 13.41 34.07 112.66 146.39 -89.09 129.27 59.29 40.31 0.40 47.98 7.86 1.93 0.05 0.39 0.00 41.11 0.69 38 N E E 75.46 8.47 21.68 30.28 108.43 115.92 -96.49 80.88 44.67 55.00 0.33 31.36 10.03 2.71 0.04 0.35 0.00 54.89 0.64 39 V E E 50.29 14.46 15.67 30.34 119.53 113.79 -105.68 131.85 16.37 83.55 0.08 13.81 2.23 0.23 0.02 0.06 0.00 82.91 0.73 40 V E E 58.64 10.90 16.24 28.12 122.74 -165.79 -115.31 135.26 6.04 93.92 0.03 5.39 0.45 0.05 0.01 0.02 0.00 93.82 0.26 41 K E E 106.58 8.74 15.05 24.95 118.49 -147.61 -102.37 132.00 5.19 94.76 0.05 4.51 0.42 0.08 0.01 0.03 0.00 94.76 0.18 42 K E E 105.19 7.37 13.95 22.89 121.09 -157.88 -108.76 136.43 9.78 90.02 0.20 8.45 0.99 0.23 0.06 0.12 0.00 89.78 0.37 43 H E E 107.36 7.36 11.87 20.75 117.78 -145.46 -102.34 135.28 21.34 78.39 0.27 18.22 2.90 0.50 0.07 0.20 0.00 77.14 0.97 44 Q C C 97.02 6.37 11.61 19.76 119.87 -155.64 -104.07 140.30 56.36 43.27 0.37 48.29 6.92 0.67 0.11 0.30 0.00 41.51 2.19 45 K C C 133.16 3.47 12.09 17.17 115.33 -118.38 -84.41 138.46 91.62 7.81 0.57 84.30 6.26 0.89 0.16 0.39 0.00 7.23 0.77 46 P C C 80.86 6.20 9.29 17.17 109.07 -105.63 -67.19 144.65 81.91 4.90 13.19 53.84 11.54 16.38 2.74 10.73 0.00 3.43 1.34 47 N C C 101.82 3.30 9.54 14.46 112.60 -145.68 -98.50 135.92 81.54 5.59 12.88 44.30 17.34 19.95 2.81 9.95 0.02 2.64 2.98 48 Q C T 146.03 1.52 9.36 11.88 97.03 -111.08 -71.98 -23.59 86.80 1.48 11.72 13.81 34.81 39.03 2.21 8.47 0.01 0.71 0.96 49 A C T 92.47 1.06 10.45 11.56 97.96 44.37 -81.39 -21.40 90.32 1.10 8.58 12.48 37.01 41.69 1.84 5.76 0.00 0.52 0.70 50 A C S 58.87 4.82 8.42 15.12 112.86 34.44 -121.00 97.18 92.61 5.57 1.82 33.82 53.13 5.43 0.50 1.25 0.00 2.32 3.56 51 P C T 98.19 3.42 10.16 15.46 98.05 -160.70 -67.42 -15.42 89.10 2.59 8.31 29.13 19.05 40.50 0.71 8.26 0.00 1.60 0.75 52 Q C T 131.48 2.30 12.45 15.73 102.12 57.06 -90.19 10.85 83.76 7.42 8.82 29.92 18.35 35.94 0.88 8.19 0.01 4.78 1.94 53 G C C 31.20 8.91 11.45 21.45 120.93 -133.19 94.04 174.48 87.13 9.46 3.41 54.94 18.50 13.20 0.32 3.85 0.00 7.76 1.44 54 G C C 32.58 6.55 15.08 22.82 123.41 -149.20 127.09 -173.69 61.17 38.19 0.63 39.45 18.51 3.56 0.09 0.64 0.00 36.68 1.08 55 I E E 87.18 10.30 13.36 24.48 121.44 -74.33 -107.32 135.74 10.63 89.35 0.02 9.64 0.85 0.05 0.00 0.01 0.00 88.84 0.60 56 L E E 68.41 8.44 15.19 25.19 123.15 -166.67 -117.79 137.95 1.64 98.36 0.00 1.52 0.05 0.00 0.00 0.00 0.00 98.36 0.06 57 E E E 111.54 8.93 14.70 25.00 119.35 -149.93 -107.46 132.12 1.26 98.74 0.00 1.09 0.06 0.00 0.00 0.00 0.00 98.83 0.01 58 V E E 59.48 8.78 16.64 26.83 129.89 176.07 -133.39 145.96 1.48 98.52 0.00 1.34 0.06 0.00 0.00 0.00 0.00 98.55 0.04 59 E E E 102.54 9.61 17.36 27.71 115.72 -119.05 -84.03 135.10 6.53 93.46 0.01 6.04 0.34 0.02 0.00 0.00 0.00 93.41 0.20 60 A E E 19.80 15.25 17.39 33.32 135.17 165.77 -140.79 154.30 32.55 67.44 0.00 30.69 0.75 0.02 0.00 0.00 0.00 68.38 0.16 61 P E E 59.48 10.36 22.90 33.26 113.99 -102.76 -68.73 143.11 29.44 70.55 0.01 25.37 3.29 0.11 0.00 0.01 0.00 70.78 0.45 62 I E E 12.35 23.49 16.34 39.86 127.98 -170.65 -126.46 142.09 13.65 86.34 0.01 12.82 0.83 0.03 0.00 0.01 0.00 81.73 4.57 63 H E E 60.43 9.80 24.97 35.32 111.75 -120.46 -80.83 130.62 24.95 75.03 0.02 26.50 0.31 0.01 0.01 0.01 0.00 68.81 4.35 64 V H G 21.88 22.38 16.60 38.78 91.77 -131.64 -60.98 -31.03 7.27 0.27 92.46 1.07 0.82 4.41 1.33 92.10 0.00 0.26 0.01 65 S H G 59.26 9.01 22.57 32.25 90.66 66.79 -71.25 -14.95 6.52 0.19 93.29 0.36 0.54 4.84 0.92 93.16 0.00 0.17 0.00 66 N H G 55.06 12.42 21.87 35.02 96.49 53.73 -99.65 3.49 7.60 0.21 92.19 0.82 0.92 4.69 0.71 92.67 0.00 0.17 0.01 67 V C E 7.34 25.13 16.31 41.89 119.41 100.66 -94.77 136.11 50.39 46.93 2.68 38.78 10.18 1.13 1.26 1.53 0.01 39.10 8.01 68 M E E 52.20 13.27 25.61 38.64 124.99 -167.18 -119.69 139.94 45.09 54.79 0.12 42.87 1.80 0.16 0.05 0.07 0.00 52.60 2.45 69 V E E 26.00 19.16 20.94 39.61 114.97 -128.36 -86.69 132.03 38.18 61.75 0.07 32.73 4.67 0.25 0.02 0.07 0.00 61.34 0.94 70 I E E 40.57 13.79 18.43 33.10 121.03 -159.88 -111.87 132.60 8.36 91.60 0.04 7.70 0.33 0.01 0.05 0.01 0.00 50.70 41.20 71 D C C 34.60 10.86 14.66 27.72 108.00 -129.42 -83.27 115.73 88.53 11.45 0.02 89.01 0.56 0.04 0.00 0.01 0.00 9.41 0.97 72 P C T 77.93 8.04 13.42 23.20 92.58 -156.58 -66.00 -25.21 99.70 0.06 0.24 0.38 3.16 96.20 0.01 0.21 0.00 0.04 0.01 73 S C T 91.92 1.06 14.39 14.87 97.11 48.11 -77.47 -37.38 99.64 0.07 0.29 0.12 2.27 97.33 0.00 0.23 0.00 0.03 0.01 74 N C T 97.57 2.60 13.32 16.52 101.27 21.78 -103.62 -16.21 99.64 0.07 0.29 0.51 3.99 95.16 0.01 0.27 0.00 0.04 0.02 75 G C C 43.12 6.55 11.79 20.16 96.41 -125.57 76.44 6.85 99.10 0.65 0.25 71.23 11.65 16.19 0.05 0.23 0.00 0.40 0.25 76 E C C 105.79 3.34 17.04 21.47 118.69 138.41 -81.84 144.28 87.75 12.16 0.08 72.74 15.04 0.41 0.02 0.08 0.00 10.41 1.30 77 A E E 57.14 9.61 16.35 26.70 114.45 -104.59 -68.04 143.52 7.11 92.82 0.07 6.29 0.44 0.04 0.08 0.02 0.00 49.44 43.69 78 T C C 24.09 17.53 14.73 32.26 130.46 -168.25 -126.29 153.24 55.92 44.02 0.05 53.80 1.76 0.12 0.01 0.03 0.00 43.73 0.56 79 K E E 86.99 8.96 22.86 32.19 119.21 -120.24 -96.81 137.51 31.06 68.92 0.03 28.55 1.88 0.09 0.01 0.03 0.00 68.52 0.93 80 V E E 25.34 20.13 15.49 35.29 117.93 -140.48 -99.43 131.72 12.70 87.30 0.01 12.14 0.34 0.02 0.00 0.00 0.00 87.28 0.22 81 A E E 24.82 10.40 21.08 32.59 131.19 -169.80 -127.03 157.94 2.28 97.71 0.00 2.01 0.10 0.01 0.00 0.00 0.00 97.82 0.06 82 F E E 85.10 14.26 15.19 29.43 125.90 -142.32 -122.38 139.94 1.34 98.66 0.00 1.19 0.04 0.00 0.00 0.00 0.00 98.73 0.03 83 K E E 87.49 7.03 15.98 24.55 130.87 176.95 -134.83 151.93 1.20 98.80 0.00 1.00 0.06 0.00 0.00 0.00 0.00 98.93 0.01 84 E E E 117.43 5.18 12.60 19.71 114.88 -127.70 -95.87 126.12 4.03 95.96 0.01 3.36 0.27 0.02 0.00 0.00 0.00 96.29 0.04 85 V E E 63.85 8.18 8.48 18.27 119.77 176.69 -129.69 121.57 7.55 92.37 0.09 4.54 1.86 0.81 0.01 0.08 0.00 92.33 0.37 86 D C T 136.12 0.49 11.49 10.94 93.45 -14.65 51.99 42.92 99.59 0.27 0.14 0.44 4.26 94.95 0.00 0.14 0.00 0.20 0.02 87 G C T 66.12 0.66 10.75 11.04 94.72 -50.09 79.21 2.53 99.82 0.09 0.09 0.48 4.84 94.51 0.00 0.10 0.00 0.06 0.01 88 K E E 119.39 2.81 11.82 16.52 126.62 101.48 -117.10 147.48 5.73 94.27 0.01 3.73 1.56 0.09 0.00 0.01 0.00 94.42 0.19 89 K E E 112.16 6.94 12.93 21.63 114.22 -118.20 -82.01 130.91 1.56 98.43 0.00 1.35 0.05 0.00 0.00 0.00 0.00 98.59 0.02 90 V E E 28.18 12.62 14.90 29.36 129.23 -175.63 -127.33 147.54 1.03 98.97 0.00 0.92 0.02 0.00 0.00 0.00 0.00 99.05 0.01 91 R E E 75.23 11.55 19.30 31.76 115.84 -127.62 -94.65 129.82 0.77 99.23 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.31 0.01 92 V E E 21.00 14.20 18.26 33.88 129.40 -172.86 -126.58 145.94 0.72 99.28 0.00 0.64 0.03 0.00 0.00 0.00 0.00 99.04 0.29 93 S E E 12.51 14.47 14.78 31.35 110.69 -112.68 -70.41 131.47 10.26 89.72 0.01 9.94 0.26 0.03 0.01 0.01 0.00 88.85 0.91 94 K C T 104.04 9.08 16.08 26.27 93.53 -145.96 -66.27 -29.65 99.22 0.53 0.25 0.59 3.54 95.24 0.01 0.20 0.00 0.36 0.06 95 K C T 140.84 2.75 16.46 19.82 97.16 46.52 -76.51 -38.22 99.52 0.22 0.26 0.13 2.13 97.39 0.00 0.18 0.00 0.10 0.07 96 T C T 76.20 3.62 14.85 19.38 101.79 21.28 -105.23 -14.50 99.72 0.10 0.19 0.45 2.85 96.47 0.01 0.15 0.00 0.05 0.02 97 G C C 38.58 8.29 12.42 22.18 95.14 -121.74 80.11 7.96 99.36 0.48 0.16 82.48 7.19 9.67 0.03 0.12 0.00 0.33 0.16 98 E C C 96.76 4.13 15.45 21.28 117.35 144.62 -75.55 144.04 92.68 7.28 0.04 88.06 4.89 0.19 0.01 0.03 0.00 5.98 0.84 99 V E B 88.16 7.34 15.83 24.46 113.15 -111.11 -75.84 134.19 4.07 95.90 0.03 3.83 0.18 0.01 0.06 0.00 0.00 45.54 50.39 100 L C C 40.50 18.06 13.40 30.63 108.62 -146.91 -90.01 125.59 94.39 5.61 0.00 94.31 0.08 0.01 0.00 0.00 0.00 5.57 0.03