# 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 T C C 89.87 4.18 13.05 18.67 113.35 130.61 -98.74 133.45 99.96 0.04 0.01 99.89 0.07 0.03 0.00 0.00 0.00 0.01 0.00 1 D C C 101.39 4.68 10.54 17.00 111.21 -134.38 -91.73 114.39 96.46 2.73 0.81 92.78 1.07 2.97 0.22 0.35 0.00 2.06 0.54 2 K C C 128.98 3.99 11.70 17.48 115.84 -159.39 -97.35 132.26 86.00 12.65 1.35 59.41 19.92 6.20 0.25 1.26 0.00 11.75 1.21 3 I C C 91.81 9.18 11.03 21.35 119.84 -148.57 -103.19 135.97 68.50 30.72 0.78 54.84 10.09 2.18 0.14 0.69 0.00 31.07 0.98 4 R E E 101.02 9.15 15.52 25.81 123.97 -166.16 -117.69 138.20 34.84 64.66 0.49 30.70 2.98 0.71 0.12 0.35 0.00 64.14 0.99 5 T E E 72.89 9.11 17.03 27.23 121.48 -152.89 -112.38 134.38 22.86 76.96 0.18 20.15 2.10 0.31 0.05 0.13 0.00 76.42 0.84 6 L E E 32.09 16.69 15.49 32.56 126.28 -171.81 -122.58 141.17 16.09 83.81 0.10 14.43 1.21 0.19 0.03 0.07 0.00 83.56 0.51 7 Q E E 96.76 7.12 22.31 30.32 122.61 -153.95 -111.95 137.96 13.54 86.40 0.07 11.83 1.07 0.16 0.02 0.04 0.00 86.60 0.30 8 G E E 10.58 17.04 17.26 34.60 143.48 144.92 -164.87 175.18 6.88 93.10 0.03 5.12 1.30 0.14 0.00 0.01 0.00 93.34 0.08 9 R E E 113.28 5.85 24.39 31.04 124.69 -90.66 -115.54 141.12 1.99 98.00 0.01 1.68 0.13 0.01 0.00 0.00 0.00 98.11 0.05 10 V E E 27.29 21.06 13.13 34.06 110.33 -116.74 -77.69 125.87 1.77 98.22 0.02 1.59 0.07 0.01 0.00 0.01 0.00 98.23 0.09 11 V E E 70.86 6.39 20.63 27.88 102.63 175.73 -101.13 -23.49 5.59 94.35 0.06 4.29 1.10 0.13 0.01 0.03 0.00 94.24 0.18 12 S E E 52.05 6.71 19.20 26.87 136.67 -0.48 -149.35 152.11 21.94 77.86 0.20 14.60 6.45 0.84 0.04 0.14 0.00 77.58 0.35 13 D C C 66.82 12.67 12.27 25.09 117.34 -165.45 -122.62 113.18 58.92 40.57 0.51 45.94 9.46 1.90 0.08 0.46 0.00 41.53 0.63 14 K C S 138.91 3.45 15.32 19.77 101.94 157.61 -93.70 10.57 72.67 25.79 1.55 26.54 34.24 12.45 0.19 1.44 0.00 23.79 1.34 15 M C S 92.33 6.29 11.75 19.46 119.28 111.57 -97.99 153.33 71.51 25.61 2.88 24.54 30.56 17.69 0.47 2.53 0.03 18.99 5.19 16 E C T 152.63 1.74 15.15 17.17 96.81 -95.65 -65.67 -25.12 97.54 0.73 1.73 4.88 35.73 57.07 0.14 1.51 0.00 0.46 0.21 17 K C T 116.47 7.22 15.11 23.09 100.38 18.80 -100.78 5.28 97.69 1.16 1.15 4.02 36.86 56.99 0.07 1.02 0.00 0.88 0.17 18 S E E 22.45 12.20 16.48 30.15 136.91 55.33 -140.62 155.24 28.57 71.20 0.23 20.90 7.14 1.17 0.04 0.20 0.00 69.53 1.02 19 I E E 13.30 18.62 17.27 36.87 125.31 -154.56 -120.79 139.59 6.22 93.78 0.00 5.57 0.22 0.01 0.00 0.00 0.00 94.13 0.07 20 V E E 31.86 10.73 24.17 36.30 118.03 -149.28 -107.41 128.71 0.55 99.45 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.52 0.00 21 V E E 6.08 22.70 17.55 40.81 123.20 -169.78 -118.56 135.01 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 22 A E E 22.97 10.12 24.01 35.47 118.86 -151.00 -104.88 132.17 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 23 I E E 13.98 19.79 16.34 36.61 123.06 -167.48 -117.74 133.54 0.48 99.52 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.00 24 E E E 81.85 8.26 20.23 29.19 117.35 -148.60 -100.53 130.73 1.83 98.17 0.00 1.54 0.11 0.01 0.00 0.00 0.00 98.33 0.01 25 R E E 72.57 11.86 15.44 28.23 129.77 166.71 -133.53 148.26 1.98 98.01 0.01 1.71 0.09 0.01 0.00 0.00 0.00 98.16 0.02 26 F E E 104.96 7.45 15.95 24.71 117.03 -130.05 -98.87 130.61 1.62 98.38 0.00 1.42 0.06 0.00 0.00 0.00 0.00 98.50 0.02 27 V E E 44.44 10.36 13.65 25.80 126.85 -175.24 -126.30 142.49 1.32 98.68 0.00 1.10 0.07 0.01 0.00 0.00 0.00 98.80 0.02 28 K E E 124.06 3.83 14.34 19.66 114.58 -124.40 -89.09 128.74 2.65 97.34 0.01 2.40 0.16 0.01 0.00 0.00 0.00 97.08 0.34 29 H C C 49.83 10.89 7.66 19.94 110.10 -140.14 -88.52 119.46 62.47 37.48 0.05 61.21 0.67 0.10 0.01 0.03 0.00 37.35 0.64 30 P C T 110.36 1.37 11.35 13.33 93.30 -146.08 -64.26 -27.76 98.12 0.25 1.63 0.46 2.99 94.72 0.06 1.55 0.00 0.17 0.06 31 I C T 135.90 1.13 10.74 12.08 97.80 46.77 -76.88 -38.42 98.40 0.15 1.45 0.20 2.29 96.06 0.03 1.29 0.00 0.08 0.05 32 Y C T 140.60 2.50 10.04 13.73 101.27 24.53 -105.20 -10.53 98.71 0.14 1.14 0.41 2.30 96.12 0.04 1.02 0.00 0.08 0.03 33 G C C 53.35 2.36 10.78 14.64 96.20 -125.16 75.71 8.79 98.89 0.80 0.31 52.52 5.88 40.47 0.06 0.21 0.00 0.74 0.11 34 K C C 113.27 2.85 11.95 16.49 124.47 125.20 -107.69 150.44 64.90 35.07 0.03 60.66 2.57 0.16 0.00 0.02 0.00 36.15 0.43 35 F E E 119.88 7.09 11.18 19.98 116.46 -120.04 -89.60 135.25 1.05 98.95 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.90 0.09 36 I E E 61.36 8.67 12.91 23.63 124.63 -168.91 -120.29 140.52 0.33 99.67 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 37 K E E 123.11 6.63 13.96 22.57 119.36 -143.12 -103.61 133.93 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 38 R E E 90.28 9.20 14.27 25.01 128.81 -176.79 -131.12 146.25 0.58 99.42 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.00 39 T E E 74.54 8.45 15.33 25.32 123.46 -152.91 -117.57 138.80 0.89 99.11 0.00 0.81 0.02 0.00 0.00 0.00 0.00 99.17 0.01 40 T E E 34.59 13.06 15.24 29.46 131.79 -175.65 -134.72 149.09 1.28 98.72 0.00 1.23 0.04 0.00 0.00 0.00 0.00 98.70 0.03 41 K E E 110.51 7.49 20.58 29.04 117.45 -134.62 -99.39 131.69 4.61 95.39 0.00 4.32 0.21 0.01 0.00 0.00 0.00 95.40 0.06 42 L E E 12.64 22.00 15.88 37.93 124.75 -169.91 -119.22 139.60 11.00 89.00 0.00 10.58 0.32 0.01 0.00 0.00 0.00 88.89 0.19 43 H E E 66.07 10.16 25.61 36.27 117.18 -141.35 -97.37 134.40 10.60 89.39 0.01 10.50 0.33 0.02 0.00 0.01 0.00 88.49 0.65 44 V E E 5.10 25.10 17.70 43.23 124.36 -166.74 -119.07 136.84 22.71 77.25 0.04 22.02 0.66 0.07 0.01 0.03 0.00 75.76 1.46 45 H E E 60.38 10.40 24.67 35.51 121.01 -161.53 -113.70 131.94 33.70 66.23 0.07 31.01 1.96 0.19 0.02 0.06 0.00 62.20 4.57 46 D C C 20.59 19.42 13.85 32.94 111.86 -168.22 -119.81 108.97 86.76 13.02 0.22 84.11 2.40 0.47 0.05 0.16 0.00 11.18 1.64 47 E C T 124.72 4.39 17.70 23.37 95.13 -167.29 -70.01 -26.31 95.00 1.32 3.68 18.96 18.44 56.68 0.24 4.40 0.00 0.92 0.37 48 N C T 109.52 2.25 18.19 20.06 97.67 38.40 -96.14 4.75 95.39 0.68 3.92 5.25 28.18 61.42 0.18 4.32 0.00 0.41 0.25 49 N C S 77.67 12.73 13.78 26.65 94.93 -119.00 64.61 29.12 94.41 2.87 2.72 32.93 52.07 8.96 0.24 3.08 0.00 1.67 1.06 50 E C C 110.47 4.74 22.82 28.00 108.51 124.32 -98.00 52.99 92.24 7.24 0.52 85.19 5.00 1.77 0.15 0.40 0.00 3.60 3.89 51 C C C 8.99 24.47 11.60 35.49 126.23 147.49 -116.47 145.78 90.78 9.05 0.18 88.39 2.49 0.49 0.05 0.12 0.00 5.77 2.68 52 G C C 29.05 5.38 25.45 31.01 137.48 -173.97 -134.50 172.81 91.81 8.07 0.11 88.80 3.09 0.41 0.04 0.07 0.00 4.41 3.18 53 I C T 95.44 10.58 17.30 28.34 110.31 -66.17 -60.60 134.32 99.18 0.64 0.17 0.24 2.62 96.63 0.01 0.10 0.00 0.30 0.11 54 G C T 38.33 5.47 20.81 27.30 96.73 25.29 89.34 -6.64 99.83 0.11 0.05 0.44 2.59 96.84 0.00 0.04 0.00 0.08 0.01 55 D C C 26.35 15.90 16.63 33.49 117.61 134.41 -71.03 145.68 96.20 3.79 0.00 94.81 1.59 0.03 0.00 0.00 0.00 3.49 0.09 56 V E E 50.44 9.96 24.87 35.64 116.79 -131.35 -99.38 131.25 0.76 99.24 0.00 0.76 0.01 0.00 0.00 0.00 0.00 99.12 0.11 57 V E E 3.36 26.07 16.14 43.01 129.16 -173.20 -124.47 148.70 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 58 E E E 59.47 8.72 27.01 36.82 119.72 -141.72 -105.45 133.24 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 59 I E E 9.40 24.67 15.81 40.86 118.97 -154.91 -107.47 130.23 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 60 R E E 94.19 7.42 24.07 31.95 129.93 -173.12 -126.66 150.35 0.81 99.19 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.25 0.01 61 E E E 94.96 11.07 18.12 29.32 114.74 -107.59 -75.37 137.30 4.33 95.66 0.01 3.94 0.23 0.02 0.00 0.01 0.00 95.68 0.14 62 C C E 28.48 15.43 12.00 27.75 127.83 -163.34 -115.35 154.56 50.58 49.33 0.09 47.37 1.91 0.17 0.02 0.06 0.00 49.76 0.71 63 R C C 164.54 1.95 17.71 19.68 114.22 -106.36 -88.04 134.86 75.86 23.65 0.49 52.29 20.98 2.03 0.10 0.44 0.00 23.04 1.13 64 P C C 67.19 10.67 9.60 20.94 112.47 -107.73 -67.57 141.08 83.91 14.68 1.40 63.94 14.83 4.88 0.31 1.17 0.00 13.08 1.79 65 L C S 118.60 2.91 12.06 16.27 98.12 -161.95 -82.64 -28.17 85.39 13.01 1.60 31.98 43.66 10.63 0.32 1.37 0.01 8.56 3.47 66 S C S 56.24 3.04 12.92 17.02 134.89 8.50 -145.68 166.11 87.37 11.01 1.62 27.27 49.00 11.59 0.31 1.35 0.01 6.40 4.07 67 K C S 171.30 1.33 11.71 14.03 93.05 -102.27 -65.77 -21.42 98.32 0.55 1.13 3.72 64.27 30.62 0.11 0.79 0.00 0.30 0.18 68 T C S 96.87 2.51 14.08 17.22 100.90 49.96 -95.43 -12.55 96.66 2.55 0.79 5.01 63.46 28.51 0.06 0.64 0.00 1.93 0.38 69 K C C 75.21 11.03 13.91 25.78 119.18 47.44 -115.62 124.06 60.09 39.43 0.48 47.86 9.28 2.31 0.11 0.45 0.00 36.95 3.04 70 S E E 22.59 12.82 17.83 32.06 129.89 153.10 -128.00 151.18 34.01 65.93 0.05 30.35 2.35 0.23 0.01 0.05 0.00 66.22 0.78 71 W E E 25.62 19.83 17.53 37.59 129.07 -153.01 -125.37 146.55 8.00 91.99 0.01 6.89 0.61 0.03 0.00 0.00 0.00 92.35 0.11 72 T E E 38.86 9.89 24.94 35.74 122.07 -150.56 -115.93 134.40 0.61 99.39 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.41 0.01 73 L E E 18.09 21.64 15.07 37.13 109.50 -118.17 -75.21 124.31 0.27 99.73 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.01 74 V E E 62.88 7.73 21.05 29.77 101.00 175.98 -96.56 -33.36 0.87 99.13 0.00 0.61 0.13 0.01 0.00 0.00 0.00 99.23 0.00 75 R E E 110.15 4.33 23.88 28.68 137.76 -1.55 -152.37 149.93 0.53 99.46 0.00 0.42 0.05 0.00 0.00 0.00 0.00 99.53 0.00 76 V E E 48.53 17.83 13.85 31.09 113.72 -134.06 -98.56 122.30 0.60 99.39 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.38 0.01 77 V E E 58.88 8.99 17.00 27.15 104.01 -177.22 -95.64 -29.41 5.39 94.59 0.02 4.56 0.46 0.04 0.00 0.01 0.00 94.81 0.11 78 E E E 109.62 4.78 17.78 23.71 130.60 -2.96 -138.24 144.46 16.19 83.62 0.19 12.47 2.78 0.79 0.03 0.18 0.00 83.41 0.34 79 K C E 113.57 9.73 11.51 22.24 118.78 -139.03 -102.79 134.30 50.98 48.57 0.45 41.66 6.11 1.88 0.07 0.44 0.00 48.92 0.92 80 A C C 59.46 7.03 10.37 18.99 114.50 -131.16 -82.11 142.92 85.50 14.17 0.33 81.49 1.94 1.72 0.05 0.25 0.00 13.68 0.87 81 V C C 109.09 3.32 12.63 17.52 113.09 -125.32 -92.59 125.98 99.79 0.20 0.00 99.78 0.06 0.02 0.00 0.00 0.00 0.13 0.01