# 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 G C C 48.33 4.62 12.80 19.02 118.19 -77.82 -93.00 143.67 99.90 0.08 0.01 99.82 0.09 0.04 0.01 0.00 0.00 0.04 0.01 1 G C C 50.58 3.81 10.76 16.19 116.19 43.99 -104.56 174.56 78.94 2.55 18.51 68.96 2.66 8.55 10.45 6.65 0.00 1.51 1.21 2 S C C 86.73 2.41 9.61 13.45 108.40 -89.66 -91.13 80.76 64.88 5.46 29.67 38.54 13.13 13.81 14.77 14.41 0.04 3.32 2.00 3 T C C 95.09 3.54 9.37 14.62 109.26 106.47 -93.15 107.74 59.03 7.71 33.26 35.63 11.94 12.15 17.28 15.51 0.07 5.00 2.42 4 R C C 156.79 3.67 10.13 15.48 108.39 120.62 -91.26 88.29 58.82 7.88 33.30 32.58 13.54 14.06 19.88 12.30 0.11 4.76 2.78 5 N C C 105.81 4.24 11.63 17.25 105.25 66.96 -94.17 55.02 73.55 4.19 22.26 31.73 19.25 23.76 14.02 7.22 0.05 2.17 1.80 6 G C C 44.61 6.04 11.65 18.96 106.91 -104.60 77.92 9.82 83.63 2.59 13.78 37.52 23.06 23.78 7.48 5.70 0.01 1.27 1.19 7 R C C 135.47 5.38 11.95 18.90 114.68 127.92 -92.60 136.12 73.24 6.22 20.54 45.22 16.64 11.44 13.05 7.40 0.03 3.07 3.15 8 D C C 91.86 5.63 12.07 19.09 107.43 -130.80 -87.51 103.34 72.33 4.06 23.61 49.33 12.08 10.72 14.16 9.66 0.01 2.26 1.77 9 S C C 66.19 6.84 11.50 19.61 105.01 149.74 -84.99 20.88 60.90 2.67 36.43 32.29 12.95 16.32 17.17 18.70 0.03 1.42 1.12 10 E C C 132.94 3.50 14.70 19.13 101.84 81.69 -84.35 4.01 58.39 2.92 38.70 25.06 14.56 20.12 16.48 20.92 0.10 1.53 1.24 11 A C C 49.70 10.52 12.33 23.67 114.22 106.28 -83.83 138.98 62.20 4.13 33.66 34.45 14.42 14.53 12.77 19.98 0.04 2.44 1.37 12 K C C 107.49 8.42 16.70 25.94 115.89 -137.20 -95.03 133.02 71.05 11.61 17.34 45.76 16.59 9.68 6.31 10.49 0.01 9.04 2.10 13 R C C 110.50 11.63 18.28 29.84 118.07 -138.61 -98.75 136.01 57.50 38.15 4.35 45.58 8.40 3.30 1.83 2.60 0.01 33.26 5.02 14 L E E 44.54 17.09 18.01 34.65 120.10 -163.15 -107.33 140.77 41.21 58.24 0.56 35.27 4.56 0.81 0.20 0.35 0.00 57.11 1.70 15 G E E 16.03 13.00 22.52 35.50 141.51 155.90 -147.43 171.45 15.77 83.84 0.38 12.61 2.85 0.67 0.12 0.25 0.00 82.76 0.72 16 V E E 35.19 19.51 16.71 35.56 117.03 -77.92 -97.21 132.86 8.93 90.26 0.80 7.50 1.13 0.51 0.38 0.41 0.00 89.27 0.81 17 K E E 105.75 7.49 21.26 29.46 100.03 -174.63 -93.32 -29.01 17.08 81.35 1.57 8.55 6.49 2.67 0.56 0.87 0.01 80.23 0.62 18 R E E 93.35 9.24 19.82 29.82 134.92 11.83 -143.26 145.58 29.22 69.17 1.61 21.52 4.27 3.07 0.34 1.35 0.00 68.04 1.42 19 F C C 80.43 14.23 15.04 29.19 125.97 -165.73 -123.89 139.43 59.80 30.57 9.62 50.84 4.60 4.02 0.43 9.14 0.00 28.90 2.06 20 G C T 44.24 7.49 16.35 24.75 98.20 -8.55 58.26 54.91 87.76 2.69 9.55 0.76 5.95 81.67 0.13 9.33 0.00 1.90 0.25 21 G C T 53.56 3.79 17.00 21.65 95.64 -25.89 83.09 0.08 89.64 1.14 9.22 1.72 7.93 79.71 0.06 9.47 0.00 1.01 0.09 22 E C C 87.86 7.91 15.42 24.95 120.42 128.26 -82.92 146.84 91.20 8.72 0.08 74.58 15.93 0.37 0.01 0.10 0.00 8.56 0.45 23 S E E 67.46 6.63 20.31 27.96 117.08 -122.23 -86.98 140.48 17.60 82.40 0.01 17.66 0.38 0.02 0.00 0.00 0.00 78.85 3.09 24 V E E 11.61 22.82 12.22 34.84 125.44 -169.00 -124.11 140.36 2.51 97.49 0.00 2.72 0.02 0.00 0.00 0.00 0.00 92.93 4.33 25 L C C 90.00 3.95 23.77 27.36 119.47 -124.35 -84.44 149.91 50.31 49.68 0.01 51.90 0.34 0.03 0.00 0.00 0.00 46.03 1.69 26 A C T 54.73 12.14 15.04 27.63 109.71 -87.69 -59.00 134.88 99.27 0.62 0.11 0.07 1.17 98.36 0.00 0.07 0.00 0.30 0.04 27 G C T 41.75 5.32 20.64 26.97 95.34 24.01 89.08 -6.11 99.72 0.20 0.08 0.12 1.66 98.01 0.00 0.08 0.00 0.13 0.01 28 S C C 35.19 11.57 19.45 31.81 117.88 125.22 -77.67 143.77 90.02 9.90 0.08 85.76 3.75 0.11 0.00 0.08 0.00 9.89 0.41 29 I E E 48.62 15.92 21.09 36.70 110.55 -118.68 -79.45 123.46 2.45 97.54 0.00 2.60 0.04 0.00 0.00 0.00 0.00 96.69 0.66 30 I E E 10.47 22.51 21.51 43.91 101.06 175.88 -96.04 -33.00 1.49 98.51 0.00 0.94 0.46 0.01 0.00 0.00 0.00 98.57 0.01 31 V E E 8.85 21.97 22.18 43.86 138.69 4.79 -151.20 148.27 0.56 99.44 0.00 0.45 0.04 0.01 0.00 0.00 0.00 99.48 0.02 32 R E E 88.02 12.95 23.41 35.86 122.95 -158.53 -119.36 131.65 3.21 96.78 0.01 2.75 0.24 0.03 0.00 0.01 0.00 96.85 0.12 33 Q E E 44.63 17.83 15.92 33.28 114.37 -144.79 -94.28 125.90 26.16 73.64 0.20 21.62 3.50 0.67 0.05 0.17 0.00 73.27 0.73 34 R C C 130.66 6.75 17.40 25.28 113.42 -168.23 -102.45 126.18 69.68 29.71 0.61 44.14 18.41 7.02 0.08 0.68 0.00 28.37 1.31 35 G C C 46.34 4.23 16.95 21.83 116.72 3.72 100.09 -168.79 87.72 11.82 0.46 39.04 38.76 9.87 0.04 0.57 0.00 10.86 0.86 36 T C C 65.89 11.66 12.78 24.78 118.27 -52.75 -101.51 137.64 83.85 15.41 0.74 65.05 15.64 3.03 0.13 0.75 0.00 13.40 2.00 37 K C C 142.94 3.45 18.71 22.82 108.04 -150.57 -97.60 74.44 77.12 22.25 0.63 58.19 15.75 2.70 0.14 0.64 0.00 19.84 2.74 38 F C C 59.47 18.05 10.77 27.83 122.84 117.82 -107.54 139.23 61.39 37.89 0.73 49.42 9.26 1.46 0.28 0.55 0.00 26.98 12.05 39 H C C 117.33 4.52 19.20 24.50 117.12 -145.87 -97.31 133.40 80.91 18.67 0.42 74.59 4.79 1.00 0.12 0.31 0.00 16.13 3.06 40 A C T 64.86 9.63 13.86 24.39 112.37 -110.48 -67.63 139.43 86.70 11.11 2.19 27.16 24.78 35.44 0.33 2.02 0.00 8.22 2.05 41 G C T 36.61 5.36 17.26 23.93 134.03 65.61 144.98 -173.16 92.29 5.52 2.19 19.14 36.27 37.08 0.21 2.24 0.00 3.73 1.33 42 A C T 81.43 3.41 19.20 22.85 98.07 -57.56 -75.27 -12.71 92.85 5.10 2.05 5.41 37.51 50.48 0.11 2.00 0.00 3.54 0.94 43 N C T 53.84 14.06 16.99 30.86 96.91 33.80 -91.35 11.50 88.68 10.70 0.61 11.13 26.97 50.26 0.03 0.76 0.00 10.43 0.42 44 V E E 19.67 21.11 14.69 35.45 124.57 91.48 -111.40 138.70 10.07 89.91 0.01 8.70 0.83 0.04 0.00 0.01 0.00 90.11 0.31 45 G E E 19.78 8.73 24.29 33.84 142.07 164.40 -153.44 176.74 0.48 99.52 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.53 0.03 46 C E E 52.16 15.00 16.44 31.33 126.42 -112.72 -123.11 141.53 1.07 98.93 0.00 1.08 0.03 0.00 0.00 0.00 0.00 98.67 0.22 47 G C C 20.54 10.51 13.48 25.35 126.90 -143.75 -91.24 174.31 85.46 14.51 0.04 84.65 0.66 0.09 0.00 0.02 0.00 14.10 0.47 48 R C T 195.43 0.99 15.38 15.95 91.37 -87.67 -63.94 -23.55 97.63 0.61 1.76 0.49 8.05 88.74 0.02 2.19 0.00 0.39 0.11 49 D C T 95.99 3.13 16.37 20.05 93.40 51.51 -90.04 6.50 98.24 0.09 1.66 0.36 6.25 91.12 0.01 2.18 0.00 0.05 0.02 50 H C S 65.13 13.39 15.07 28.97 93.46 -109.06 70.56 22.55 94.43 3.57 2.00 20.89 56.26 16.30 0.08 2.79 0.00 3.29 0.39 51 T E E 23.94 12.32 21.53 35.16 119.26 145.32 -87.06 142.64 46.44 53.55 0.01 47.20 0.40 0.02 0.00 0.00 0.00 51.67 0.72 52 L E E 3.24 25.64 19.32 46.08 115.54 -129.12 -91.52 130.29 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.01 53 F E E 45.25 12.35 27.16 40.09 127.96 -172.31 -125.92 143.38 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 54 A E E 6.38 23.32 15.19 39.07 111.73 -118.48 -77.43 130.28 4.49 95.51 0.00 4.59 0.06 0.00 0.00 0.00 0.00 95.11 0.23 55 K C S 101.90 6.36 23.09 30.14 95.78 -161.41 -87.74 -20.91 92.95 6.73 0.32 22.81 60.14 9.41 0.02 0.41 0.00 6.93 0.28 56 A C S 41.88 6.28 21.93 28.86 136.75 20.87 -140.57 165.31 93.39 6.22 0.39 2.59 79.84 11.37 0.02 0.33 0.00 5.53 0.33 57 D C C 88.69 6.21 21.21 28.10 113.35 -90.01 -68.19 141.70 94.06 5.50 0.45 55.35 32.33 5.86 0.02 0.66 0.00 5.52 0.25 58 G E E 12.22 10.60 20.12 32.67 143.47 96.84 160.69 -172.42 24.44 75.55 0.02 21.22 2.79 0.18 0.00 0.02 0.00 75.16 0.63 59 K E E 79.21 8.23 24.59 33.73 125.31 -67.72 -117.14 141.09 0.54 99.46 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.41 0.05 60 V E E 6.16 25.22 15.20 41.13 119.69 -151.27 -105.40 130.56 0.30 99.70 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.71 0.00 61 K E E 74.91 8.27 25.98 34.75 123.00 -167.34 -118.25 136.02 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.00 62 F E E 26.29 21.70 15.13 36.50 123.38 -158.87 -114.65 136.91 0.73 99.27 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.33 0.02 63 E E E 79.25 6.76 21.78 29.23 125.86 -172.95 -125.49 143.46 1.15 98.84 0.00 1.00 0.06 0.00 0.00 0.00 0.00 98.92 0.02 64 V E E 53.58 13.04 12.18 25.92 118.64 -143.96 -107.30 129.55 6.37 93.62 0.02 5.60 0.39 0.03 0.00 0.01 0.00 93.77 0.19 65 K E E 115.46 4.62 13.08 19.41 116.21 -162.55 -107.94 128.75 34.65 65.15 0.20 27.83 5.47 0.87 0.03 0.18 0.00 65.01 0.62 66 G C T 44.08 2.84 12.08 16.00 124.67 6.17 95.87 -169.17 83.21 5.88 10.90 11.00 24.13 46.91 0.36 12.24 0.00 4.60 0.77 67 P C T 119.71 1.12 10.72 12.11 97.18 -31.86 -70.95 -16.39 86.39 0.75 12.86 4.73 12.96 65.39 0.39 15.79 0.00 0.48 0.27 68 K C T 146.53 2.00 10.36 13.27 100.99 43.59 -87.84 17.23 87.20 0.67 12.13 4.79 11.36 67.91 0.36 14.91 0.00 0.43 0.23 69 N C T 115.15 3.73 11.62 17.03 98.54 -116.19 45.12 42.25 94.53 3.14 2.33 19.66 15.53 59.04 0.16 2.62 0.00 2.59 0.40 70 R E E 98.83 7.75 12.59 22.04 119.96 155.60 -98.37 141.49 43.42 56.43 0.16 36.31 4.37 1.16 0.02 0.15 0.00 57.44 0.54 71 K E E 84.98 10.53 15.94 27.35 119.52 -136.37 -98.74 135.50 8.32 91.67 0.01 7.36 0.46 0.04 0.00 0.01 0.00 92.02 0.11 72 F E E 52.92 13.45 18.43 32.62 127.43 -167.34 -121.61 145.18 0.68 99.32 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.37 0.01 73 I E E 23.20 18.60 18.27 37.32 122.86 -153.40 -116.72 133.78 0.37 99.63 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 74 S E E 26.37 11.86 23.04 35.66 127.32 -166.18 -119.40 145.73 0.56 99.44 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.00 75 I E E 25.11 19.22 16.58 36.10 122.04 -156.75 -115.86 130.82 1.63 98.37 0.00 1.43 0.07 0.00 0.00 0.00 0.00 98.44 0.05 76 E E E 86.63 7.99 19.48 28.24 121.23 -161.62 -111.29 134.21 8.90 91.06 0.04 8.18 0.39 0.05 0.01 0.02 0.00 91.06 0.29 77 A E E 49.21 11.02 12.28 24.01 117.62 -138.17 -88.17 144.99 42.31 57.52 0.16 40.79 0.83 0.26 0.04 0.10 0.00 57.38 0.59 78 E C C 129.07 4.32 15.54 21.15 109.90 -116.87 -80.62 127.68 99.55 0.43 0.01 99.52 0.10 0.03 0.00 0.00 0.00 0.33 0.01