# 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 E C C 115.25 5.21 18.80 25.00 118.46 -151.46 -103.62 131.59 99.15 0.84 0.01 99.21 0.06 0.02 0.00 0.00 0.00 0.68 0.02 1 V C C 46.23 18.41 11.08 28.43 121.22 -158.22 -109.19 132.41 51.24 48.34 0.43 50.60 0.46 0.22 0.21 0.12 0.00 47.56 0.83 2 Q E E 100.31 4.63 20.17 25.73 121.82 -165.42 -115.23 135.70 23.95 75.20 0.85 21.91 1.43 0.47 0.50 0.35 0.00 74.41 0.93 3 L E E 61.14 17.66 13.07 29.98 117.09 -141.74 -95.99 130.19 23.65 75.28 1.08 22.01 1.19 0.42 0.58 0.43 0.00 74.49 0.86 4 V E E 63.37 9.29 18.58 28.82 121.29 -169.00 -114.23 135.92 30.66 67.80 1.54 26.74 2.78 0.89 0.80 0.68 0.00 67.00 1.11 5 E E E 101.13 10.49 17.06 28.02 116.51 -131.97 -96.50 133.39 44.37 52.86 2.77 33.90 7.54 3.17 0.93 1.74 0.01 51.55 1.17 6 S C C 54.46 11.83 16.46 28.20 109.29 -167.03 -99.47 45.96 67.21 29.84 2.95 39.82 16.49 11.15 0.56 2.44 0.00 28.29 1.24 7 G C C 38.67 9.16 18.06 27.46 112.56 -103.28 94.93 15.21 76.80 21.45 1.74 31.28 29.20 16.86 0.21 1.62 0.00 19.62 1.20 8 G C C 34.56 11.25 17.28 28.41 123.65 -37.58 133.00 174.70 74.97 24.08 0.95 40.12 25.95 8.99 0.11 1.00 0.00 22.72 1.11 9 G E E 28.56 10.78 18.76 29.77 127.68 123.06 135.69 -175.92 48.24 51.54 0.21 34.65 12.71 1.44 0.03 0.23 0.00 50.06 0.89 10 L E E 83.95 10.49 20.87 31.38 120.41 -76.02 -104.41 135.67 13.44 86.47 0.08 11.41 1.99 0.17 0.03 0.06 0.00 85.15 1.19 11 V E E 23.88 20.15 14.59 34.34 122.99 -164.15 -116.64 133.96 7.70 92.26 0.04 7.06 0.50 0.03 0.03 0.02 0.00 83.45 8.92 12 Q C C 94.06 5.45 22.66 28.41 120.57 -135.16 -88.82 147.89 90.77 9.20 0.02 90.72 0.50 0.05 0.01 0.01 0.00 8.21 0.51 13 P C T 72.73 11.56 14.52 26.53 110.03 -87.01 -59.51 138.31 99.08 0.71 0.21 0.40 2.66 96.22 0.01 0.15 0.00 0.50 0.06 14 G C T 51.73 3.06 18.95 22.55 96.34 22.49 87.48 -5.17 99.32 0.51 0.17 0.56 3.23 95.64 0.01 0.13 0.00 0.40 0.03 15 G C C 24.03 8.94 15.73 26.11 127.76 116.66 -90.07 172.80 88.95 10.99 0.06 75.40 13.18 0.24 0.01 0.06 0.00 10.44 0.67 16 S E E 56.44 8.93 19.96 29.96 131.80 -125.13 -130.96 152.26 33.98 65.99 0.03 34.04 0.60 0.04 0.00 0.02 0.00 64.32 0.97 17 L E E 20.82 22.28 15.73 37.69 126.66 -159.55 -124.67 140.82 2.09 97.90 0.00 1.99 0.06 0.00 0.00 0.00 0.00 97.85 0.10 18 R E E 117.33 7.70 24.72 33.16 118.66 -152.23 -111.83 128.04 0.94 99.05 0.00 0.89 0.03 0.00 0.00 0.00 0.00 99.04 0.03 19 L E E 8.77 25.16 16.51 41.88 122.50 -169.03 -115.33 133.82 4.30 95.66 0.04 3.97 0.19 0.02 0.01 0.01 0.00 95.69 0.10 20 S E E 43.13 9.45 26.53 36.39 126.44 -168.25 -116.75 142.41 16.34 83.43 0.23 14.35 1.27 0.24 0.06 0.11 0.00 83.68 0.28 21 C E E 9.66 24.68 16.54 41.02 131.58 -166.88 -136.30 143.54 23.41 75.89 0.70 21.05 1.81 0.44 0.30 0.36 0.00 74.79 1.24 22 A E E 45.85 8.67 25.69 34.93 120.62 -156.47 -105.68 138.93 27.39 70.52 2.09 22.98 3.52 1.11 1.19 1.11 0.01 66.15 3.94 23 A C C 16.56 22.06 13.72 35.11 125.58 -164.30 -121.26 139.01 56.70 37.27 6.02 48.26 5.71 2.61 1.95 4.03 0.00 34.69 2.76 24 S C S 61.44 6.61 19.67 26.75 117.69 -150.68 -106.85 148.32 71.29 19.88 8.82 23.62 25.02 24.66 2.41 5.92 0.09 16.55 1.73 25 E C S 127.59 3.95 19.28 23.85 99.82 5.38 -27.89 35.95 76.62 14.39 8.99 18.65 31.27 28.08 2.82 5.68 0.09 11.83 1.58 26 I C C 60.28 16.26 12.33 28.02 118.84 118.15 -99.12 133.37 72.13 20.89 6.98 48.36 17.51 6.67 2.90 4.22 0.02 17.55 2.78 27 T C C 80.71 5.59 20.34 26.54 113.83 -154.58 -105.67 115.06 67.16 29.38 3.46 53.04 9.23 4.37 1.71 1.92 0.00 25.43 4.31 28 V C C 45.98 17.77 13.18 30.18 121.88 -171.68 -109.70 135.04 65.19 32.39 2.42 47.92 13.74 3.52 1.35 1.32 0.01 26.42 5.73 29 S C C 45.74 7.69 18.91 27.40 124.05 -168.05 -111.36 158.68 79.09 19.77 1.14 64.49 10.98 3.16 0.38 0.80 0.00 16.91 3.28 30 R C S 134.06 8.53 18.23 27.17 96.70 -108.33 -71.03 -21.14 91.87 6.14 1.98 9.50 49.98 32.75 0.36 1.35 0.00 5.42 0.64 31 N C S 72.26 11.16 18.75 29.74 101.78 30.10 -104.72 -0.02 88.82 10.06 1.12 8.04 49.48 30.78 0.08 0.93 0.00 10.23 0.46 32 Y E E 57.85 12.89 22.28 35.67 135.59 47.91 -141.18 151.33 23.70 76.13 0.16 19.09 3.98 0.61 0.03 0.15 0.00 75.45 0.71 33 M E E 5.66 24.88 19.27 44.43 127.78 -167.30 -125.84 140.53 3.27 96.73 0.00 3.05 0.12 0.01 0.00 0.00 0.00 96.73 0.09 34 S E E 15.88 15.81 27.39 43.37 128.92 -167.16 -124.57 146.74 1.03 98.96 0.00 0.94 0.03 0.00 0.00 0.00 0.00 99.02 0.01 35 W E E 7.61 24.66 21.83 46.43 128.07 -162.15 -122.58 142.84 0.61 99.39 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.44 0.01 36 V E E 17.23 16.98 24.60 41.68 128.11 -168.00 -125.34 141.86 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.01 37 R E E 44.55 17.26 21.37 38.08 126.01 -164.03 -117.79 141.49 0.55 99.45 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.49 0.01 38 Q E E 62.71 12.06 19.03 31.60 116.08 -142.61 -100.93 127.30 5.12 94.87 0.01 4.61 0.26 0.02 0.00 0.01 0.00 94.87 0.23 39 A C C 26.17 11.87 13.55 26.91 118.06 -135.23 -81.42 152.82 76.21 23.62 0.17 72.79 1.97 0.38 0.03 0.12 0.00 23.95 0.77 40 P C T 94.87 5.11 12.70 19.62 109.30 -84.28 -58.89 135.27 94.20 0.32 5.48 0.51 4.06 88.84 0.07 6.25 0.00 0.18 0.08 41 G C T 69.49 0.29 13.17 10.87 96.01 15.10 81.89 -4.24 94.13 0.11 5.76 0.53 3.67 89.01 0.09 6.60 0.00 0.06 0.04 42 K C T 130.43 3.42 11.79 16.72 107.36 74.03 -106.65 -1.59 87.98 3.89 8.13 12.10 34.46 40.02 0.31 9.71 0.00 2.54 0.85 43 G C C 33.51 4.04 16.57 21.72 127.14 -119.00 90.82 -168.07 68.16 31.67 0.17 50.97 15.52 1.59 0.03 0.19 0.00 30.44 1.25 44 L E E 62.36 14.92 13.69 28.61 115.73 -26.80 -75.56 137.93 27.78 72.19 0.03 25.22 1.20 0.08 0.00 0.03 0.00 73.27 0.21 45 E E E 68.83 10.91 21.05 32.44 127.22 -171.53 -126.33 140.87 1.76 98.23 0.00 1.50 0.10 0.01 0.00 0.00 0.00 98.35 0.04 46 W E E 79.69 16.33 20.39 36.31 111.13 -113.92 -73.74 127.95 0.59 99.41 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.41 0.01 47 V E E 9.18 21.36 21.85 43.41 102.07 175.49 -100.82 -29.83 5.79 94.21 0.00 3.98 1.14 0.01 0.00 0.00 0.00 94.85 0.01 48 S E E 4.11 21.46 23.54 45.03 143.19 -4.18 -157.04 155.66 0.98 99.02 0.00 0.77 0.07 0.00 0.00 0.00 0.00 99.14 0.00 49 V E E 15.99 18.81 24.74 43.28 126.38 -155.93 -128.50 135.92 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 50 M E E 17.13 19.36 20.91 40.54 117.04 -158.09 -109.14 125.33 0.70 99.30 0.00 0.60 0.04 0.00 0.00 0.00 0.00 99.31 0.05 51 F E E 52.06 11.86 19.45 32.14 125.48 -170.54 -111.23 152.70 25.67 74.23 0.10 22.78 1.81 0.25 0.02 0.08 0.00 74.56 0.50 52 A C T 55.58 12.43 14.69 27.03 107.93 -96.87 -63.91 132.08 85.17 12.05 2.78 3.01 7.89 75.24 0.11 2.81 0.00 10.29 0.64 53 G C T 62.02 1.21 16.75 17.07 95.87 19.07 78.98 -1.56 96.51 0.65 2.84 1.41 7.01 87.59 0.09 3.32 0.00 0.45 0.13 54 G C S 44.21 6.54 14.02 21.52 102.48 -87.12 92.36 2.17 94.23 1.45 4.32 10.70 54.55 28.42 0.18 4.81 0.00 0.95 0.38 55 S C C 59.49 4.49 17.55 23.05 119.91 128.72 -83.32 150.82 69.32 30.54 0.13 62.49 4.19 0.74 0.02 0.12 0.00 31.85 0.59 56 T E E 54.61 16.95 13.13 29.48 127.45 -154.80 -126.75 141.51 8.55 91.43 0.02 7.84 0.52 0.04 0.01 0.01 0.00 91.05 0.53 57 F E E 79.40 9.86 21.60 32.12 130.53 -173.01 -131.69 144.40 3.11 96.87 0.01 2.77 0.24 0.02 0.00 0.01 0.00 96.63 0.33 58 Y E E 91.47 15.55 17.55 32.48 124.56 -148.60 -113.10 140.19 15.09 84.85 0.06 14.15 0.83 0.08 0.02 0.04 0.00 83.79 1.09 59 A C C 14.47 18.13 12.54 31.05 113.57 -113.60 -69.54 139.98 93.11 6.36 0.54 90.16 2.54 0.47 0.16 0.30 0.00 5.86 0.50 60 D H G 118.81 1.64 18.32 20.09 92.37 -126.11 -62.22 -30.45 39.65 0.52 59.83 2.58 5.11 30.86 3.13 57.82 0.00 0.32 0.18 61 S H G 60.78 7.31 17.32 25.72 91.05 62.68 -69.87 -18.97 38.91 0.24 60.84 0.93 3.00 34.20 2.62 59.01 0.00 0.14 0.09 62 V H G 8.55 22.62 10.73 33.39 97.98 42.91 -102.35 -2.23 40.12 0.74 59.14 2.32 4.52 32.48 3.46 56.48 0.01 0.46 0.29 63 K C T 125.06 6.68 14.99 24.25 109.99 122.88 -60.47 130.19 92.63 2.28 5.10 2.74 4.15 86.32 1.59 2.60 0.01 1.07 1.52 64 G C T 62.10 1.26 18.62 18.86 93.43 14.45 80.76 -2.12 95.31 0.32 4.37 0.83 3.72 91.58 0.65 2.90 0.00 0.20 0.12 65 R C T 83.17 12.76 16.98 29.95 100.33 79.32 -98.94 -22.08 94.94 1.28 3.79 5.88 21.93 67.34 0.59 2.90 0.00 1.15 0.22 66 F E E 8.24 24.35 12.57 37.32 135.32 34.09 -137.44 151.05 14.40 85.51 0.09 10.81 3.67 0.28 0.03 0.06 0.00 83.51 1.63 67 T E E 63.31 6.15 26.54 33.27 125.46 -160.38 -120.99 141.81 1.99 98.01 0.01 1.82 0.08 0.00 0.00 0.00 0.00 98.00 0.08 68 I E E 23.25 23.90 14.56 38.09 122.82 -158.60 -117.47 131.97 1.72 98.27 0.01 1.63 0.04 0.00 0.00 0.00 0.00 98.28 0.05 69 S E E 46.62 6.79 24.84 31.96 133.69 170.13 -133.91 153.85 3.83 96.16 0.01 3.40 0.19 0.01 0.00 0.01 0.00 96.29 0.09 70 R E E 93.11 16.72 13.78 29.75 122.46 -146.56 -113.89 135.66 10.67 89.24 0.09 9.37 1.17 0.16 0.02 0.06 0.00 88.57 0.64 71 D C C 55.89 8.08 14.65 24.50 109.49 -140.50 -97.52 111.24 52.49 47.27 0.23 49.38 2.06 0.43 0.05 0.18 0.00 46.27 1.63 72 N C T 113.12 4.57 12.80 19.52 94.01 -159.96 -70.24 -21.89 91.68 0.95 7.37 3.60 17.01 69.70 0.25 8.50 0.00 0.69 0.24 73 S C T 91.84 0.92 14.90 14.67 95.16 57.38 -76.57 -28.45 90.16 1.49 8.35 2.20 16.07 70.63 0.28 9.36 0.00 1.03 0.43 74 K C T 103.93 6.55 15.06 22.38 98.67 33.39 -98.15 -0.93 91.48 0.50 8.02 4.20 26.53 59.27 0.27 9.24 0.00 0.30 0.19 75 N C T 59.95 12.59 16.17 29.41 97.11 -130.60 51.10 40.69 98.90 0.64 0.46 12.28 22.72 63.85 0.04 0.49 0.00 0.53 0.09 76 T E E 25.95 12.67 20.93 34.79 132.93 112.50 -129.27 151.55 24.91 75.06 0.03 20.23 4.25 0.19 0.00 0.03 0.00 72.86 2.44 77 L E E 5.78 23.99 18.83 43.38 121.03 -148.11 -112.08 133.92 4.22 95.78 0.00 4.08 0.14 0.01 0.00 0.00 0.00 95.56 0.22 78 Y E E 47.38 13.12 26.42 40.05 121.64 -160.20 -114.90 132.24 1.85 98.15 0.00 1.63 0.06 0.00 0.00 0.00 0.00 98.29 0.01 79 L E E 3.38 25.78 19.85 46.33 120.59 -164.26 -113.11 130.27 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 80 Q E E 55.00 11.31 27.14 38.89 119.20 -161.60 -111.06 127.27 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.01 81 M E E 7.83 24.48 16.89 41.76 120.29 -168.70 -115.08 127.93 12.38 87.62 0.00 12.61 0.08 0.00 0.00 0.00 0.00 86.67 0.62 82 N C S 68.14 7.61 22.99 30.84 120.03 -156.68 -97.79 153.20 95.09 4.86 0.05 38.70 50.30 5.13 0.00 0.09 0.00 5.58 0.20 83 S C S 61.05 5.44 24.36 30.06 97.00 8.26 58.14 54.63 98.66 1.31 0.03 10.08 83.59 5.03 0.00 0.04 0.00 1.10 0.15 84 L C C 14.71 24.48 11.43 35.82 114.37 -152.25 -73.36 134.95 98.44 1.55 0.01 97.91 0.87 0.02 0.00 0.00 0.00 0.61 0.59 85 R C C 99.34 5.15 24.92 30.20 133.27 -173.80 -128.46 161.66 96.56 3.40 0.04 96.22 0.39 0.01 0.01 0.01 0.00 0.51 2.84 86 A H G 48.91 14.57 15.88 30.27 91.10 -101.86 -59.40 -33.03 4.25 0.03 95.71 0.33 0.32 2.61 0.39 96.31 0.00 0.03 0.00 87 E H G 122.42 4.02 22.14 26.81 90.09 62.39 -72.06 -16.57 3.39 0.05 96.56 0.20 0.25 2.20 0.39 96.92 0.00 0.04 0.00 88 D H G 13.46 21.43 16.83 38.36 94.97 66.59 -82.98 0.40 4.74 0.06 95.20 1.00 0.54 1.68 0.55 96.18 0.00 0.05 0.00 89 T C C 34.47 17.31 21.90 38.66 113.50 110.36 -80.02 130.07 95.24 4.23 0.52 91.46 3.87 0.35 0.10 0.38 0.00 3.38 0.45 90 A E E 12.59 18.71 23.97 41.87 141.75 144.60 -153.63 167.93 10.83 89.06 0.12 10.09 0.86 0.10 0.05 0.06 0.00 87.37 1.47 91 V E E 26.39 17.61 25.92 43.02 119.05 -105.72 -103.96 132.61 2.40 97.58 0.02 2.38 0.12 0.01 0.01 0.01 0.00 97.34 0.13 92 Y E E 7.39 24.95 22.79 47.51 122.47 -161.83 -111.25 136.56 1.90 98.05 0.05 1.75 0.14 0.03 0.02 0.02 0.00 97.96 0.08 93 Y E E 24.78 20.04 27.62 46.50 130.39 -171.63 -126.85 146.43 4.22 95.51 0.27 3.65 0.39 0.11 0.10 0.09 0.00 95.47 0.19 94 C E E 4.67 24.27 24.07 47.88 126.63 -161.90 -121.27 137.74 17.23 81.55 1.23 14.39 2.06 0.65 0.51 0.49 0.00 81.26 0.63 95 A E E 12.29 18.97 24.45 42.79 124.75 -159.67 -111.92 141.65 26.98 70.32 2.70 22.74 3.37 1.37 1.31 1.27 0.00 68.21 1.72 96 R E E 55.99 17.09 20.10 36.48 122.69 -163.48 -113.88 140.66 43.80 52.28 3.92 31.76 9.86 4.08 1.62 2.38 0.04 46.85 3.41 97 D C C 70.15 9.58 19.38 29.17 110.82 -127.18 -95.43 114.46 63.96 32.55 3.50 45.21 13.27 6.02 0.96 2.58 0.01 29.71 2.24 98 L C C 81.25 11.10 14.63 26.12 104.47 -152.89 -82.40 30.11 79.00 14.80 6.21 29.85 21.33 29.46 1.35 4.39 0.03 11.50 2.08 99 G C T 48.80 4.74 15.31 21.06 104.10 14.67 80.55 3.02 87.89 7.00 5.10 28.26 27.57 33.04 0.87 4.00 0.01 4.77 1.48 100 V C C 82.84 7.15 12.18 20.71 111.53 86.64 -94.58 115.99 83.12 10.24 6.64 41.75 26.18 16.07 1.56 4.97 0.02 6.01 3.44 101 V C T 104.12 4.46 13.50 19.53 110.84 -128.54 -90.75 125.99 86.50 7.01 6.48 27.06 22.80 37.52 1.47 4.62 0.01 4.47 2.06 102 G C T 46.63 5.26 15.38 21.72 111.10 19.71 94.19 -6.89 89.57 5.26 5.17 25.08 27.66 37.54 0.92 4.03 0.01 3.39 1.38 103 A C C 52.75 10.51 14.84 25.82 111.76 132.35 -91.03 124.65 84.63 9.86 5.51 49.94 22.90 12.07 1.17 4.58 0.00 6.76 2.58 104 T C C 55.64 13.19 16.70 29.89 118.47 -160.89 -107.15 131.64 75.31 19.80 4.88 53.10 13.90 8.36 1.32 3.72 0.01 16.27 3.32 105 D C C 52.08 14.11 18.82 32.75 115.33 -152.17 -101.66 127.73 61.38 33.79 4.83 42.71 12.80 7.03 1.32 3.55 0.02 29.40 3.15 106 Y E E 83.28 14.86 19.85 34.14 116.97 -159.93 -106.22 127.04 44.07 52.01 3.92 31.52 8.26 4.95 1.67 2.62 0.04 44.49 6.46 107 W C E 65.88 18.05 18.48 35.43 115.87 -163.78 -101.33 124.67 52.09 43.84 4.07 32.85 10.60 10.25 1.60 2.73 0.06 35.08 6.84 108 G C C 24.61 13.96 20.06 33.14 119.16 -140.72 -1.49 -164.95 75.91 20.63 3.47 34.73 22.31 20.28 0.68 2.75 0.01 16.96 2.30 109 Q C S 100.82 9.26 21.35 30.35 100.04 -28.25 -82.09 19.95 79.16 16.37 4.47 20.76 30.45 28.92 0.76 3.50 0.01 13.47 2.14 110 G C C 20.59 15.79 19.08 33.78 118.04 -94.91 94.91 167.64 77.01 21.27 1.72 31.01 26.79 19.52 0.18 1.65 0.00 19.72 1.13 111 T E E 24.63 19.55 19.09 37.88 118.70 -101.00 -100.62 131.41 42.50 57.28 0.22 36.46 4.53 0.65 0.04 0.18 0.00 57.23 0.90 112 L E E 71.73 11.05 24.42 35.46 117.42 -144.31 -98.73 129.31 6.87 93.10 0.03 6.12 0.59 0.07 0.01 0.02 0.00 92.90 0.30 113 V E E 13.01 23.54 16.72 40.16 121.76 -167.15 -114.58 130.13 2.28 97.71 0.01 2.18 0.10 0.01 0.00 0.00 0.00 97.63 0.07 114 T E E 58.76 7.83 25.05 33.21 119.96 -159.91 -109.92 132.79 2.29 97.70 0.01 2.19 0.11 0.01 0.00 0.00 0.00 97.57 0.12 115 V E E 24.87 21.05 13.19 33.60 119.94 -160.03 -108.99 132.86 11.41 88.55 0.04 10.57 0.61 0.07 0.01 0.02 0.00 88.04 0.68 116 S E E 56.97 5.96 17.95 24.69 124.48 -163.10 -106.43 155.66 48.79 51.11 0.10 46.62 1.02 0.22 0.03 0.06 0.00 50.80 1.24 117 S C C 73.44 6.57 15.36 23.07 109.65 -103.49 -79.22 131.91 99.67 0.32 0.01 99.62 0.12 0.02 0.00 0.00 0.00 0.23 0.01