# 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 V C C 25.94 19.27 17.52 36.36 121.72 -165.63 -114.81 133.35 95.95 4.05 0.00 95.66 0.09 0.01 0.00 0.00 0.00 4.21 0.02 1 E E E 88.85 9.43 22.95 32.63 118.94 -155.03 -108.42 128.07 15.67 84.26 0.07 15.52 0.33 0.06 0.02 0.03 0.00 83.41 0.63 2 V E E 12.25 22.51 16.98 39.42 120.98 -167.21 -116.75 128.59 5.66 94.21 0.13 5.20 0.38 0.08 0.05 0.05 0.00 93.94 0.30 3 L E E 59.86 10.94 25.96 37.16 114.59 -146.85 -94.52 126.57 7.26 92.38 0.36 6.58 0.51 0.17 0.16 0.15 0.00 92.03 0.41 4 L E E 7.59 25.06 19.22 44.12 117.35 -165.29 -104.61 129.83 27.35 69.80 2.85 22.06 4.17 1.41 1.52 1.12 0.00 68.86 0.85 5 G E E 12.14 16.47 22.08 37.93 134.35 58.01 153.59 -177.38 41.53 53.91 4.56 29.45 10.31 3.53 2.52 2.00 0.01 48.60 3.59 6 A C C 31.42 13.13 17.77 31.19 125.66 -92.27 -106.35 159.49 57.12 36.00 6.87 40.38 12.51 5.23 3.13 4.00 0.03 29.80 4.94 7 S C T 81.39 5.61 16.41 23.39 94.69 -105.80 -69.89 -18.24 65.23 10.58 24.19 12.19 19.00 35.15 3.85 20.22 0.07 7.55 1.98 8 D C T 112.50 2.12 18.30 20.37 96.05 51.15 -89.75 5.72 76.30 1.89 21.81 5.45 15.20 53.51 1.96 21.94 0.04 1.16 0.73 9 G C T 30.21 12.03 15.59 27.65 100.90 -95.88 88.53 4.60 78.12 3.38 18.49 11.43 26.95 39.01 1.18 18.39 0.01 1.93 1.10 10 G C S 22.23 12.07 19.80 31.92 113.20 123.93 -74.03 -104.44 79.10 16.50 4.40 23.23 38.01 18.90 0.55 3.98 0.01 12.78 2.53 11 L C E 27.06 21.34 18.76 38.83 113.17 -31.87 -95.31 122.53 55.99 41.44 2.57 31.83 17.36 8.91 0.52 2.21 0.01 36.16 3.00 12 A E E 24.74 14.19 24.49 38.79 131.56 140.20 -124.50 149.52 33.53 65.55 0.92 25.26 8.09 1.47 0.36 0.61 0.01 59.82 4.37 13 F E E 18.19 23.31 18.10 41.27 115.88 -125.16 -97.33 130.95 20.18 79.44 0.38 15.45 3.49 0.51 0.25 0.22 0.00 66.87 13.21 14 V C C 58.15 11.43 22.90 34.34 120.36 -158.37 -113.92 127.82 60.27 39.66 0.06 50.84 8.82 0.30 0.02 0.06 0.00 38.59 1.36 15 P C C 44.65 11.44 18.36 30.44 115.12 32.27 -73.43 149.79 81.56 18.32 0.13 72.85 6.71 0.67 0.02 0.13 0.00 18.97 0.65 16 S C S 62.13 10.90 17.30 28.61 96.47 -153.82 -82.28 -23.10 89.10 10.84 0.07 19.78 67.40 1.28 0.00 0.07 0.00 11.19 0.29 17 S E E 60.37 5.51 21.71 28.46 134.62 21.86 -141.77 147.16 23.21 76.75 0.04 17.67 4.82 0.38 0.00 0.05 0.00 76.71 0.36 18 L E E 22.60 21.48 13.76 34.78 132.45 -175.94 -138.92 146.41 3.32 96.68 0.00 3.06 0.10 0.00 0.00 0.00 0.00 96.78 0.06 19 E E E 110.49 5.52 24.34 30.92 119.92 -146.62 -112.59 131.52 0.32 99.68 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 20 V E E 9.21 23.31 12.78 36.15 131.07 -177.94 -133.48 148.16 1.45 98.55 0.00 1.44 0.03 0.00 0.00 0.00 0.00 98.38 0.14 21 S C C 55.98 3.96 23.46 26.91 120.05 -117.85 -77.18 155.62 69.67 30.29 0.04 69.50 0.66 0.08 0.00 0.02 0.00 29.02 0.71 22 A C T 55.25 12.48 14.22 26.97 109.79 -86.81 -59.98 136.38 99.27 0.48 0.25 0.12 1.76 97.70 0.01 0.14 0.00 0.24 0.03 23 G C T 48.33 3.23 19.59 23.40 95.97 25.09 90.23 -7.03 99.64 0.23 0.13 0.22 1.86 97.65 0.00 0.10 0.00 0.16 0.01 24 E C C 64.09 11.76 15.69 28.51 120.15 126.53 -76.16 149.75 95.90 4.08 0.01 90.74 5.20 0.06 0.00 0.01 0.00 3.83 0.16 25 T E E 66.92 8.29 22.55 31.27 119.61 -129.46 -101.83 135.19 14.25 85.74 0.00 15.27 0.14 0.00 0.00 0.00 0.00 82.85 1.74 26 I E E 5.72 25.20 15.51 41.37 122.62 -164.39 -116.96 135.47 0.19 99.81 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 27 V E E 40.97 10.03 26.97 38.06 117.83 -156.43 -112.47 125.71 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 28 F E E 3.91 26.30 18.76 45.94 118.79 -161.70 -107.86 128.60 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 29 K E E 68.50 10.18 27.97 38.89 120.71 -168.07 -118.11 128.74 1.08 98.92 0.00 0.96 0.02 0.00 0.00 0.00 0.00 98.99 0.02 30 N E E 9.08 24.14 16.84 41.21 111.04 -149.37 -94.65 116.31 18.98 81.01 0.02 18.22 0.53 0.04 0.00 0.01 0.00 80.75 0.45 31 N C C 67.75 8.44 24.46 34.00 99.33 175.45 -103.64 7.61 88.52 11.36 0.12 63.70 22.04 2.10 0.01 0.14 0.00 11.48 0.52 32 A C S 26.04 16.30 17.45 33.47 117.31 96.71 -87.25 153.77 94.33 5.34 0.33 24.43 63.89 6.50 0.04 0.34 0.00 3.54 1.26 33 G C S 36.93 7.61 22.44 30.15 112.34 -121.06 79.78 -27.44 96.79 3.07 0.14 28.15 66.69 2.32 0.02 0.14 0.00 1.73 0.95 34 F C S 85.64 9.49 20.98 30.83 124.34 -4.84 -105.04 148.77 97.32 2.63 0.05 22.36 73.62 1.68 0.01 0.05 0.00 1.86 0.42 35 P C C 56.88 10.85 21.17 32.19 113.51 -52.72 -67.53 142.98 96.92 3.05 0.02 80.09 15.19 1.46 0.00 0.03 0.00 3.01 0.22 36 H E E 15.24 22.54 18.07 40.22 135.80 172.04 -138.16 156.35 19.21 80.77 0.02 17.18 1.45 0.07 0.01 0.02 0.00 76.07 5.20 37 N E E 35.32 13.94 27.21 41.52 122.34 -136.12 -106.56 140.25 9.83 90.16 0.01 8.86 0.72 0.02 0.00 0.00 0.00 90.11 0.28 38 V E E 1.76 27.20 21.17 49.23 120.71 -155.95 -114.88 130.25 5.32 94.67 0.00 5.21 0.21 0.01 0.00 0.00 0.00 94.37 0.20 39 V E E 24.43 14.76 28.00 43.19 126.59 -170.82 -123.36 139.99 6.39 93.59 0.02 6.35 0.20 0.02 0.01 0.01 0.00 92.65 0.76 40 F E E 12.41 23.74 18.22 41.85 121.07 -149.39 -101.07 139.50 23.57 76.37 0.06 22.65 0.93 0.07 0.02 0.03 0.00 74.61 1.69 41 D C C 40.46 10.16 21.43 32.57 108.90 -134.18 -91.83 116.36 79.81 20.05 0.15 77.30 2.04 0.21 0.04 0.09 0.00 19.00 1.32 42 E H G 96.79 12.70 14.58 27.44 93.17 -150.20 -64.29 -26.90 44.14 0.85 55.01 4.39 5.11 31.74 1.52 56.49 0.00 0.57 0.18 43 D H G 123.43 0.97 18.96 18.35 92.39 60.58 -74.67 -16.68 46.21 0.26 53.53 1.27 3.30 38.04 0.98 56.21 0.00 0.15 0.05 44 E H G 95.50 8.77 16.40 25.72 99.30 47.77 -98.71 -1.74 41.38 0.57 58.05 3.75 5.81 29.40 1.40 59.17 0.00 0.34 0.14 45 I C S 28.07 20.79 10.24 29.89 116.58 92.44 -95.06 126.61 98.69 0.98 0.34 24.72 73.64 0.41 0.22 0.08 0.00 0.25 0.67 46 P C C 45.97 8.88 15.26 26.04 114.52 -110.83 -64.92 150.29 97.12 1.62 1.26 91.18 3.16 2.64 0.43 0.71 0.00 0.66 1.22 47 A C T 90.41 2.39 14.22 18.21 109.45 -93.53 -61.00 136.88 95.63 0.78 3.60 4.42 9.32 81.70 0.79 2.77 0.00 0.45 0.54 48 G C T 65.30 0.72 16.39 15.47 95.71 21.44 84.00 -1.84 96.21 0.49 3.30 5.89 10.15 80.02 0.64 2.72 0.00 0.33 0.23 49 V C C 35.75 17.14 8.37 24.71 118.77 119.63 -92.30 138.81 89.54 7.38 3.09 61.91 23.65 2.94 1.39 1.62 0.00 2.53 5.96 50 D C C 83.79 3.49 20.45 23.83 108.07 -135.59 -92.68 112.77 91.44 4.66 3.90 83.80 4.77 2.67 1.99 1.72 0.00 1.98 3.07 51 A H G 31.53 19.06 10.64 28.89 93.67 -159.58 -64.31 -26.54 26.86 0.74 72.41 6.27 3.92 16.61 13.11 59.35 0.01 0.48 0.23 52 S H G 82.13 2.97 17.48 21.53 90.72 67.23 -67.83 -20.34 24.54 0.56 74.90 3.46 2.98 17.15 13.38 62.47 0.01 0.38 0.17 53 K H G 124.99 4.40 18.00 23.14 93.65 58.25 -80.21 -13.72 24.92 0.97 74.12 7.22 4.94 13.32 12.75 60.87 0.01 0.61 0.28 54 I C C 27.13 20.53 11.32 30.68 103.34 69.46 -92.87 35.56 63.59 7.29 29.12 30.92 21.44 12.16 13.00 14.91 0.19 3.19 4.19 55 S C C 73.97 5.70 20.34 26.77 112.29 131.63 -96.56 115.23 90.19 5.35 4.45 64.45 16.13 9.11 1.97 2.54 0.00 2.53 3.27 56 M C C 37.52 17.38 12.09 29.23 125.41 121.42 -114.93 143.44 97.62 2.14 0.24 70.95 26.43 0.44 0.12 0.11 0.00 0.90 1.06 57 P C C 68.40 3.94 21.41 24.96 115.25 -107.35 -71.21 153.84 97.96 1.03 1.02 94.18 3.11 0.79 0.46 0.39 0.00 0.42 0.65 58 E H G 79.20 16.60 12.86 28.63 92.68 -113.23 -59.79 -32.72 18.94 0.48 80.58 4.80 3.48 10.75 9.99 70.53 0.00 0.31 0.13 59 E H G 131.02 3.92 19.46 24.27 92.22 60.36 -68.72 -23.38 14.83 0.44 84.73 2.69 2.24 9.69 10.11 74.86 0.00 0.33 0.07 60 D H G 70.11 9.29 19.60 29.26 95.27 54.95 -84.67 -11.02 15.23 0.68 84.09 4.62 2.87 7.85 9.02 75.03 0.00 0.49 0.12 61 L C C 12.53 23.02 15.79 38.37 100.31 60.16 -92.06 2.54 53.34 15.02 31.63 33.05 14.33 8.00 9.35 21.34 0.11 9.31 4.52 62 L C C 40.26 16.17 22.81 38.61 114.73 104.58 -92.23 129.01 57.05 37.83 5.12 42.18 9.72 3.70 3.19 2.39 0.06 25.59 13.16 63 N E C 20.15 21.00 18.39 38.64 117.01 -163.56 -105.24 130.29 47.21 51.86 0.93 36.78 7.95 1.23 0.55 0.43 0.02 21.38 31.67 64 A C C 38.42 9.21 22.99 32.43 123.71 -135.19 -86.63 159.85 97.17 2.76 0.06 91.42 5.61 0.28 0.02 0.04 0.00 1.76 0.87 65 P C T 65.13 12.21 15.50 28.18 109.91 -76.74 -59.26 137.14 99.10 0.64 0.26 0.61 3.49 95.22 0.01 0.17 0.00 0.37 0.11 66 G C T 51.87 2.99 18.80 22.38 95.04 21.06 87.22 -5.57 99.40 0.42 0.18 0.90 3.63 94.94 0.01 0.15 0.00 0.34 0.03 67 E C C 73.47 10.18 15.43 26.80 120.83 122.86 -86.63 146.97 86.94 12.99 0.07 78.02 8.00 0.29 0.01 0.07 0.00 12.95 0.67 68 T E E 76.36 9.65 16.97 28.21 127.49 -160.09 -125.94 141.87 14.59 85.40 0.01 14.64 0.27 0.02 0.00 0.01 0.00 84.11 0.95 69 Y E E 43.35 16.72 16.07 33.14 133.02 -176.72 -136.34 151.17 2.06 97.94 0.00 1.97 0.06 0.00 0.00 0.00 0.00 97.89 0.06 70 S E E 59.94 8.82 21.20 30.99 125.11 -152.52 -119.78 139.54 1.51 98.49 0.00 1.39 0.06 0.00 0.00 0.00 0.00 98.53 0.02 71 V E E 12.93 21.86 15.92 37.71 127.87 -173.09 -127.19 141.89 1.59 98.41 0.00 1.53 0.04 0.00 0.00 0.00 0.00 98.39 0.04 72 K E E 102.31 6.32 24.88 31.84 119.67 -150.59 -110.28 132.67 4.14 95.86 0.00 4.23 0.08 0.00 0.00 0.00 0.00 95.20 0.48 73 L E E 7.13 24.77 10.75 35.80 113.46 -139.55 -89.61 127.18 43.79 56.17 0.04 43.45 0.57 0.05 0.01 0.02 0.00 54.23 1.66 74 D C C 101.20 3.01 22.53 25.58 98.52 -172.56 -98.66 -9.68 92.22 7.72 0.06 49.26 42.15 0.72 0.01 0.06 0.00 7.47 0.33 75 A C S 49.30 5.75 19.24 25.92 129.69 46.97 -125.78 153.12 94.79 5.12 0.09 20.01 74.47 0.69 0.02 0.05 0.00 4.37 0.39 76 K C C 124.42 6.67 17.15 25.40 115.41 -101.30 -67.09 144.68 93.14 6.81 0.04 66.77 25.23 0.60 0.00 0.05 0.00 7.01 0.32 77 G E E 22.99 4.54 20.55 26.89 138.75 71.61 139.18 -169.02 12.66 87.33 0.01 8.37 4.30 0.18 0.00 0.01 0.00 86.64 0.49 78 T E E 74.32 7.22 20.32 28.56 121.62 -47.96 -110.04 137.29 1.55 98.45 0.00 1.37 0.08 0.00 0.00 0.00 0.00 98.50 0.05 79 Y E E 18.70 22.14 14.98 37.08 132.01 -174.55 -133.76 148.28 0.71 99.28 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.31 0.01 80 K E E 83.37 9.79 25.85 35.93 119.31 -137.26 -100.39 133.60 0.74 99.26 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.32 0.00 81 F E E 5.69 25.32 19.34 44.82 134.96 -175.51 -134.45 152.65 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 82 Y E E 41.32 15.09 26.64 41.67 131.24 -162.35 -129.85 148.57 1.56 98.43 0.00 1.42 0.07 0.00 0.00 0.00 0.00 98.41 0.10 83 C E E 5.87 23.55 18.21 42.14 115.15 -131.81 -98.49 128.45 39.17 60.78 0.05 36.67 1.30 0.08 0.01 0.04 0.00 61.41 0.49 84 S C C 46.48 11.03 22.70 33.69 101.32 -150.34 -75.58 -19.51 70.80 9.23 19.97 27.27 23.84 21.05 3.50 15.73 0.03 7.19 1.40 85 P C T 62.82 9.88 20.67 30.78 95.24 54.71 -75.27 -13.76 74.06 1.67 24.26 10.25 26.15 38.35 4.83 18.56 0.05 0.90 0.90 86 H C C 43.80 18.29 14.89 32.35 106.55 55.90 -105.44 64.56 65.94 3.21 30.85 25.19 17.69 23.93 7.15 22.60 0.05 1.37 2.02 87 Q C T 106.57 8.74 18.65 28.07 98.91 -151.42 -63.72 11.14 57.88 1.30 40.82 6.71 8.74 41.41 8.54 32.93 0.05 0.65 0.97 88 G C T 46.27 6.96 20.66 27.61 97.13 34.06 -60.33 -14.91 59.45 0.68 39.87 3.78 7.18 47.58 6.90 33.65 0.03 0.35 0.52 89 A C T 29.63 16.34 18.07 33.86 96.80 61.41 -86.93 -5.59 64.63 1.25 34.13 5.34 11.02 47.75 5.14 29.15 0.03 0.70 0.87 90 G C T 22.38 12.40 23.22 35.50 101.52 -109.69 84.30 17.57 86.89 3.13 9.98 20.51 11.62 55.25 1.76 7.78 0.00 2.20 0.88 91 M C C 15.02 22.84 18.87 41.14 113.53 146.63 -84.81 124.38 73.38 26.14 0.48 68.48 3.21 0.77 0.10 0.35 0.00 25.39 1.69 92 V E E 45.40 15.21 25.10 39.58 133.27 164.62 -136.10 147.23 22.05 77.91 0.04 19.86 1.49 0.11 0.01 0.02 0.00 77.51 1.00 93 G E E 6.53 19.83 21.51 40.72 143.95 164.91 -156.52 171.21 4.22 95.77 0.01 3.47 0.48 0.05 0.00 0.01 0.00 95.95 0.05 94 Q E E 64.45 11.96 25.99 38.16 126.43 -121.15 -122.27 141.32 0.98 99.02 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.99 0.01 95 V E E 4.86 25.13 17.53 43.27 122.04 -164.81 -118.18 131.54 0.44 99.56 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 96 T E E 44.96 8.26 25.85 34.84 117.03 -157.46 -108.00 126.45 0.72 99.28 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.27 0.03 97 V E E 14.72 22.55 12.55 34.87 116.18 -157.71 -102.16 127.48 13.91 86.06 0.03 13.77 0.22 0.04 0.01 0.01 0.00 85.59 0.37 98 N C C 95.08 5.13 21.69 27.08 110.16 -155.98 -90.41 109.93 99.04 0.96 0.00 99.14 0.08 0.01 0.00 0.00 0.00 0.74 0.01