# 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 43.34 5.57 14.97 21.87 117.72 -139.42 109.52 -178.10 99.93 0.07 0.00 99.87 0.07 0.02 0.00 0.00 0.00 0.03 0.00 1 S C C 81.48 4.09 12.42 18.32 114.81 -122.31 -98.29 136.59 93.48 5.24 1.28 86.68 1.60 5.43 0.30 0.77 0.00 3.93 1.29 2 G C C 44.10 4.88 13.37 19.66 119.35 102.78 125.37 -175.27 86.25 11.93 1.82 53.39 20.79 11.95 0.24 1.93 0.00 10.27 1.43 3 E C C 118.22 5.50 15.86 22.64 118.14 -87.32 -97.78 134.83 74.41 23.61 1.98 52.33 16.70 4.73 0.27 1.91 0.00 22.69 1.38 4 T C E 34.85 16.23 13.29 29.53 122.96 -157.32 -110.13 139.55 53.76 45.55 0.69 43.90 7.30 1.08 0.11 0.54 0.00 46.41 0.65 5 K E E 89.99 9.44 21.70 31.45 122.38 -153.03 -112.87 135.20 13.91 85.94 0.15 12.10 1.42 0.18 0.04 0.08 0.00 85.81 0.37 6 V E E 15.36 20.70 17.44 38.27 120.56 -160.43 -112.87 131.38 2.84 97.13 0.02 2.65 0.11 0.01 0.01 0.01 0.00 97.13 0.08 7 I E E 37.48 12.29 22.63 35.81 119.44 -162.53 -110.98 130.18 1.42 98.57 0.01 1.30 0.05 0.01 0.00 0.00 0.00 98.57 0.06 8 Y E E 40.36 17.06 18.42 35.65 125.26 -170.69 -120.20 139.04 4.43 95.53 0.03 3.88 0.32 0.04 0.01 0.01 0.00 95.57 0.16 9 H E E 53.56 11.09 18.55 30.95 115.86 -154.94 -108.27 124.16 27.33 72.53 0.14 24.69 1.73 0.25 0.03 0.09 0.00 72.70 0.50 10 L C C 61.26 11.79 15.06 27.69 102.59 -169.76 -90.09 -9.55 80.49 17.94 1.57 44.70 24.03 11.40 0.19 1.57 0.00 17.16 0.95 11 D C S 76.67 5.91 15.13 22.01 117.31 25.23 -108.72 146.87 92.81 3.90 3.29 26.42 38.16 28.33 0.33 3.27 0.00 2.68 0.81 12 E C S 142.71 3.33 12.76 17.67 99.37 -107.63 -78.52 14.50 95.01 1.30 3.69 27.35 38.92 28.31 0.34 3.88 0.00 0.69 0.51 13 E C S 112.23 4.24 11.30 17.42 117.25 116.57 -88.58 144.42 96.30 1.44 2.26 34.83 43.16 18.02 0.27 2.34 0.00 0.71 0.67 14 E C S 146.46 2.41 13.19 16.86 103.78 -117.24 -78.92 16.46 96.73 2.25 1.01 38.15 48.39 10.16 0.13 1.09 0.00 1.29 0.80 15 T C C 57.38 9.45 11.55 22.31 117.78 70.75 -113.89 130.53 94.23 5.42 0.34 50.56 42.82 1.57 0.06 0.32 0.00 3.33 1.34 16 P C S 71.32 8.36 15.98 25.37 99.03 -137.67 -69.07 -16.09 93.74 5.57 0.69 33.31 43.25 16.86 0.03 0.97 0.00 5.20 0.38 17 Y E E 72.66 14.08 16.38 30.44 120.51 46.12 -117.00 127.44 44.29 54.54 1.17 21.32 11.56 11.87 0.08 1.36 0.00 53.27 0.55 18 L E E 63.99 14.05 17.85 31.77 123.56 -163.80 -116.45 132.60 9.47 90.43 0.09 8.21 1.05 0.12 0.02 0.06 0.00 90.30 0.25 19 V E E 24.11 17.46 17.85 35.62 122.92 -167.78 -118.30 133.54 0.92 99.08 0.00 0.86 0.05 0.00 0.00 0.00 0.00 99.06 0.02 20 K E E 112.52 7.42 22.73 31.16 115.10 -144.85 -97.99 127.43 1.08 98.92 0.00 1.01 0.03 0.00 0.00 0.00 0.00 98.90 0.05 21 I E E 11.80 22.78 13.37 36.32 119.14 -163.73 -113.50 127.08 15.97 84.02 0.01 15.75 0.27 0.01 0.00 0.00 0.00 83.68 0.27 22 P C E 84.61 4.48 23.47 28.15 100.13 -138.27 -77.43 43.11 65.24 34.74 0.02 30.09 33.32 0.38 0.00 0.02 0.00 35.98 0.21 23 V C S 27.02 15.48 14.36 30.69 130.87 88.68 -128.15 148.56 81.61 18.34 0.05 22.59 60.40 0.38 0.01 0.03 0.00 15.45 1.13 24 P C C 57.74 4.78 22.12 27.15 113.44 -100.85 -65.42 145.29 90.97 8.94 0.09 90.94 0.93 0.08 0.02 0.05 0.00 7.08 0.89 25 A H G 26.23 20.46 11.83 31.37 91.96 -119.15 -59.05 -34.84 15.54 0.31 84.15 1.21 2.08 10.80 0.79 84.88 0.00 0.22 0.03 26 E H G 137.46 3.15 20.18 24.28 91.18 63.33 -69.21 -19.22 14.80 0.43 84.78 0.78 1.61 11.29 0.86 85.11 0.00 0.32 0.03 27 R H G 129.84 5.50 20.48 26.51 98.68 48.48 -99.23 -0.28 13.92 1.06 85.02 1.92 2.16 9.33 1.75 83.91 0.00 0.88 0.05 28 I C C 8.34 24.34 12.48 37.05 114.98 102.87 -90.60 126.56 60.53 38.60 0.87 49.91 11.49 0.26 0.74 0.30 0.00 24.30 12.99 29 T E B 43.99 7.52 26.52 34.29 130.42 -169.81 -112.54 165.49 35.07 64.54 0.38 34.07 1.45 0.07 0.46 0.04 0.00 18.49 45.43 30 L H H 24.61 21.89 16.73 38.37 91.29 -104.72 -58.32 -38.68 5.03 0.06 94.91 0.30 0.41 4.53 90.50 4.17 0.05 0.03 0.01 31 G H H 34.04 5.48 22.86 28.83 91.16 54.60 -62.78 -40.09 4.53 0.02 95.46 0.17 0.19 4.33 90.96 4.32 0.02 0.01 0.00 32 D H H 52.57 9.32 22.25 31.95 92.06 50.53 -66.29 -39.54 2.47 0.02 97.50 0.40 0.21 1.70 92.23 5.43 0.01 0.01 0.01 33 F H H 2.82 26.54 16.09 43.18 91.68 51.03 -64.06 -43.13 0.53 0.01 99.46 0.09 0.04 0.33 98.64 0.90 0.00 0.00 0.00 34 K H H 67.87 15.12 18.31 32.84 91.39 52.73 -62.16 -41.15 0.63 0.01 99.36 0.08 0.03 0.45 98.55 0.89 0.00 0.00 0.00 35 S H H 75.91 1.95 22.41 23.26 92.06 51.01 -65.66 -37.73 2.29 0.00 97.71 0.09 0.07 2.09 96.67 1.07 0.00 0.00 0.00 36 V H H 41.42 14.03 17.56 31.66 92.93 49.26 -70.79 -36.01 6.77 0.01 93.22 0.18 0.30 6.21 92.56 0.72 0.01 0.00 0.01 37 L H H 15.87 21.85 13.62 34.86 98.56 47.57 -89.25 -5.80 37.99 0.87 61.14 4.87 9.25 23.79 60.02 1.12 0.10 0.26 0.60 38 Q C C 140.93 2.12 21.25 23.19 97.37 -127.32 52.36 52.95 97.64 0.41 1.95 46.28 5.56 46.06 1.27 0.45 0.00 0.19 0.18 39 R C C 72.90 17.88 10.49 27.00 121.48 152.72 -98.16 140.59 99.25 0.64 0.12 84.77 14.17 0.29 0.05 0.05 0.00 0.21 0.47 40 P C C 63.15 6.14 15.38 23.02 115.19 -104.06 -65.52 151.76 98.08 0.48 1.45 91.51 2.68 3.79 0.20 1.32 0.00 0.21 0.29 41 A C T 90.49 2.28 14.36 17.94 109.65 -89.74 -63.56 136.92 96.43 0.54 3.03 3.75 11.10 80.90 0.15 3.55 0.00 0.35 0.21 42 G C T 56.36 2.21 17.41 19.81 96.28 22.09 84.21 -0.70 96.86 0.84 2.29 6.34 11.31 78.37 0.09 3.02 0.00 0.74 0.13 43 A C C 19.20 16.86 11.06 28.28 119.20 129.53 -82.17 145.79 84.39 14.27 1.33 68.39 14.22 1.44 0.16 1.34 0.00 13.42 1.03 44 K E E 93.03 7.91 23.08 31.44 124.04 -156.75 -115.04 140.18 35.20 64.62 0.17 32.46 1.53 0.32 0.03 0.14 0.00 64.90 0.62 45 Y E E 23.11 22.22 17.07 38.95 126.15 -159.47 -118.04 141.10 8.08 91.89 0.03 7.14 0.70 0.08 0.00 0.02 0.00 91.84 0.22 46 F E E 43.37 13.13 23.54 37.07 127.79 -170.94 -122.78 143.76 1.84 98.15 0.01 1.55 0.14 0.02 0.00 0.00 0.00 98.23 0.05 47 F E E 21.43 20.14 18.56 38.56 128.86 -169.11 -125.20 145.61 0.89 99.11 0.00 0.76 0.04 0.00 0.00 0.00 0.00 99.18 0.01 48 K E E 77.29 12.10 20.88 32.94 124.07 -155.45 -115.41 137.75 0.75 99.25 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.30 0.01 49 S E E 24.31 13.25 17.09 31.42 135.05 174.25 -138.86 159.10 1.38 98.61 0.01 1.18 0.07 0.01 0.00 0.00 0.00 98.72 0.03 50 M E E 94.20 7.99 15.58 24.95 119.33 -123.23 -108.08 132.30 5.48 94.47 0.05 4.26 0.92 0.13 0.01 0.03 0.00 94.51 0.15 51 D E E 51.26 9.24 10.39 21.28 122.71 -171.65 -116.74 142.51 26.01 73.89 0.10 22.88 2.11 0.33 0.02 0.08 0.00 74.10 0.48 52 Q C T 156.37 0.86 11.57 12.63 93.75 -129.89 -66.87 -25.48 96.99 1.50 1.51 0.82 6.88 89.31 0.04 1.54 0.00 1.26 0.16 53 D C T 126.68 0.63 12.06 11.62 98.55 43.66 -82.94 -29.66 98.78 0.08 1.14 0.45 5.92 92.33 0.02 1.21 0.00 0.04 0.02 54 F C T 114.35 5.71 10.44 17.50 102.65 21.94 -106.74 -7.09 98.78 0.37 0.85 1.54 8.66 88.48 0.03 0.97 0.00 0.27 0.05 55 G E E 32.07 3.37 15.48 20.17 121.40 -132.61 82.50 -160.85 23.32 76.58 0.10 15.64 4.32 2.75 0.01 0.09 0.00 76.83 0.36 56 V E E 78.99 7.76 13.19 22.40 116.86 -12.36 -90.32 134.05 3.33 96.67 0.01 2.68 0.29 0.03 0.00 0.00 0.00 96.92 0.07 57 V E E 45.69 10.98 14.50 27.23 125.63 -172.16 -123.76 139.69 0.59 99.41 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.01 58 K E E 110.66 9.42 16.38 26.99 122.23 -155.24 -112.69 135.18 1.07 98.93 0.00 0.90 0.05 0.00 0.00 0.00 0.00 99.04 0.00 59 E E E 64.57 12.04 16.74 29.56 131.37 -177.78 -136.18 146.94 1.55 98.45 0.00 1.35 0.08 0.00 0.00 0.00 0.00 98.55 0.01 60 E E E 105.04 6.85 20.54 28.25 115.94 -124.75 -90.32 133.64 1.66 98.33 0.00 1.55 0.07 0.01 0.00 0.00 0.00 98.30 0.06 61 I E E 18.08 20.65 12.14 32.68 117.14 -155.56 -108.42 128.60 19.98 79.94 0.08 19.36 0.73 0.10 0.03 0.04 0.00 78.10 1.64 62 S C C 65.12 5.31 19.58 25.64 101.47 171.06 -99.57 -18.17 90.76 9.04 0.20 45.87 42.09 2.65 0.02 0.21 0.00 8.66 0.49 63 D C S 70.46 5.53 18.40 24.79 123.57 44.86 -125.68 137.39 96.06 3.34 0.60 30.73 60.37 5.14 0.09 0.52 0.00 2.07 1.06 64 D C T 82.23 12.35 12.73 25.35 94.09 -139.24 -71.18 -14.29 97.80 1.06 1.15 2.35 13.00 82.45 0.06 1.18 0.00 0.65 0.32 65 N C T 121.82 1.95 18.71 20.47 95.00 58.44 -90.19 1.21 98.48 0.91 0.61 4.30 11.30 82.75 0.03 0.73 0.00 0.76 0.13 66 A C C 28.17 13.54 13.01 27.64 117.14 113.07 -76.75 146.10 93.54 6.19 0.27 69.17 23.75 0.84 0.05 0.29 0.00 4.41 1.50 67 R E C 137.00 5.94 22.57 29.58 117.32 -125.52 -90.86 137.55 49.20 50.63 0.16 47.13 1.85 0.12 0.13 0.05 0.00 14.11 36.61 68 L C C 10.36 24.48 15.42 40.05 115.74 -129.63 -89.98 131.25 82.04 17.89 0.07 79.78 2.61 0.10 0.02 0.04 0.00 15.33 2.12 69 P C C 31.32 12.16 23.00 36.14 111.32 -120.95 -69.89 137.02 88.47 11.39 0.14 76.28 10.66 0.65 0.02 0.14 0.00 11.77 0.48 70 C E E 24.44 18.99 16.99 35.48 132.84 -169.40 -133.98 150.94 32.76 66.91 0.33 28.11 3.98 0.53 0.10 0.28 0.00 61.70 5.31 71 F E E 68.01 13.79 16.32 30.30 122.29 -168.01 -133.27 121.89 9.75 89.53 0.72 4.74 2.73 1.30 0.38 0.44 0.01 69.69 20.70 72 N C T 126.41 2.47 17.66 20.52 91.61 -11.04 54.27 40.35 98.07 0.79 1.14 0.59 5.10 92.49 0.06 1.06 0.00 0.53 0.17 73 G C T 40.83 8.91 15.70 25.31 93.75 -54.42 80.78 2.45 99.00 0.30 0.70 0.80 7.06 91.10 0.02 0.74 0.00 0.22 0.05 74 R E E 106.79 7.53 21.06 29.67 124.83 111.41 -110.32 141.47 8.61 91.28 0.12 4.86 3.59 0.63 0.05 0.08 0.00 83.70 7.09 75 V E E 18.38 21.57 17.50 39.12 109.75 -116.93 -77.13 123.97 6.65 93.33 0.02 6.22 0.35 0.03 0.01 0.01 0.00 92.43 0.95 76 V E E 25.19 15.48 23.79 39.62 101.20 175.10 -102.30 -25.23 45.99 53.93 0.08 39.74 3.69 0.37 0.01 0.07 0.00 55.92 0.21 77 S E E 7.44 20.27 24.23 44.01 144.51 2.09 -157.38 156.88 14.40 85.45 0.15 11.18 2.64 0.42 0.02 0.12 0.00 85.44 0.19 78 W E E 44.86 19.29 23.93 42.04 132.32 -157.98 -135.75 143.42 1.55 98.45 0.00 1.50 0.08 0.01 0.00 0.00 0.00 98.33 0.08 79 L E E 26.10 18.59 21.11 39.41 117.35 -145.27 -104.67 127.94 0.79 99.21 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.19 0.05 80 V E E 42.77 13.15 18.58 32.33 125.91 -170.53 -119.72 140.57 4.69 95.31 0.01 4.37 0.16 0.01 0.00 0.00 0.00 95.17 0.29 81 S E E 54.75 9.18 14.52 24.61 118.69 -123.25 -85.71 149.62 39.21 60.75 0.03 37.85 0.60 0.11 0.01 0.02 0.00 60.65 0.76 82 S C C 73.04 6.14 14.81 22.16 108.36 -118.68 -80.56 108.84 99.75 0.25 0.00 99.66 0.13 0.02 0.00 0.00 0.00 0.17 0.01