# 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 110.90 5.76 19.75 26.28 119.55 -156.84 -101.90 135.21 99.12 0.87 0.00 99.17 0.07 0.01 0.00 0.00 0.00 0.73 0.01 1 V E E 39.56 19.37 11.60 29.93 121.89 -161.55 -111.74 133.18 42.62 57.24 0.15 42.25 0.45 0.12 0.05 0.06 0.00 56.29 0.78 2 Q E E 93.28 5.39 21.40 27.48 122.55 -165.82 -116.00 135.31 17.08 82.65 0.27 15.66 1.03 0.23 0.11 0.13 0.00 82.23 0.61 3 L E E 51.08 19.34 13.85 32.26 118.72 -145.68 -100.01 131.33 16.61 82.88 0.51 15.31 0.95 0.29 0.18 0.27 0.00 82.52 0.48 4 V E E 58.18 9.97 20.46 31.14 122.77 -169.89 -117.63 135.29 19.60 79.83 0.57 17.49 1.65 0.42 0.22 0.28 0.00 79.22 0.71 5 E E E 90.07 13.40 17.19 30.32 119.68 -140.96 -103.78 134.16 32.28 66.85 0.87 27.54 3.61 1.06 0.27 0.57 0.00 66.03 0.92 6 S C C 49.76 12.13 17.53 29.63 106.78 -169.56 -96.29 46.84 61.71 36.51 1.77 39.69 14.47 7.36 0.23 1.71 0.00 35.60 0.94 7 G C S 37.88 8.79 19.33 28.29 114.38 -93.26 98.08 3.94 73.57 25.11 1.32 27.28 32.90 13.58 0.11 1.33 0.00 23.80 0.99 8 G C C 32.40 12.27 17.71 29.51 123.07 -55.84 128.48 173.04 72.15 27.06 0.80 42.75 23.11 6.04 0.08 0.88 0.00 26.21 0.95 9 G E E 26.54 11.58 19.22 30.80 129.38 -123.23 132.89 -173.01 40.08 59.82 0.11 30.75 8.97 0.72 0.02 0.11 0.00 58.58 0.86 10 L E E 82.98 10.58 21.90 32.35 119.46 -79.69 -102.18 133.51 9.24 90.72 0.04 7.73 1.48 0.09 0.01 0.03 0.00 89.79 0.87 11 V E E 21.09 20.66 14.76 34.99 124.82 -167.03 -118.17 136.77 6.57 93.40 0.02 5.99 0.43 0.02 0.02 0.01 0.00 87.65 5.88 12 Q C C 93.78 5.42 23.13 28.79 120.80 -135.71 -89.66 148.43 90.71 9.27 0.02 90.77 0.44 0.04 0.00 0.01 0.00 8.25 0.47 13 P C T 71.21 11.94 14.66 26.96 109.72 -85.67 -59.21 137.32 99.32 0.47 0.21 0.27 2.23 96.97 0.01 0.17 0.00 0.31 0.04 14 G C T 51.54 3.11 19.17 22.87 96.41 21.29 87.32 -5.46 99.47 0.34 0.19 0.34 2.62 96.62 0.01 0.16 0.00 0.24 0.02 15 G C C 23.03 9.33 16.09 26.78 128.03 115.17 -90.88 172.82 90.83 9.11 0.06 72.64 18.20 0.31 0.01 0.07 0.00 8.04 0.73 16 S E E 54.85 9.34 20.57 30.69 131.01 -122.14 -126.44 153.09 47.90 52.08 0.02 48.19 0.54 0.03 0.00 0.01 0.00 50.24 0.98 17 L E E 14.26 23.05 15.89 38.80 125.73 -159.21 -122.07 139.04 2.11 97.89 0.00 2.03 0.05 0.00 0.00 0.00 0.00 97.83 0.10 18 R E E 112.69 8.29 25.48 34.40 118.71 -151.89 -110.28 128.80 0.61 99.39 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.02 19 L E E 5.11 25.89 17.18 43.62 123.45 -169.35 -116.08 135.16 2.77 97.22 0.01 2.61 0.10 0.01 0.00 0.00 0.00 97.20 0.07 20 S E E 36.87 10.35 27.46 38.35 125.81 -164.77 -114.54 142.94 16.27 83.67 0.05 14.64 0.90 0.08 0.01 0.03 0.00 84.17 0.16 21 C E E 4.11 26.10 17.84 44.29 131.31 -169.65 -135.68 146.07 23.23 76.60 0.17 21.46 1.26 0.17 0.05 0.09 0.00 76.33 0.63 22 A E E 34.88 10.79 27.46 38.86 124.89 -163.90 -117.46 142.50 16.09 83.62 0.28 14.57 1.22 0.24 0.13 0.16 0.00 79.17 4.51 23 A E E 8.28 24.05 15.90 39.73 124.20 -166.32 -121.30 136.29 45.01 53.93 1.05 41.60 2.50 0.68 0.29 0.76 0.00 51.03 3.14 24 S C C 52.54 7.89 21.93 30.20 126.01 -163.32 -116.54 149.39 69.62 28.75 1.63 26.32 25.52 19.60 0.15 1.63 0.00 25.56 1.21 25 D C S 104.55 3.33 22.03 25.57 96.09 8.21 61.43 26.86 79.63 18.79 1.58 21.01 36.93 22.36 0.14 1.57 0.00 16.86 1.12 26 F C C 39.86 20.63 12.09 31.66 119.05 140.75 -95.23 137.99 77.63 20.91 1.46 64.51 9.58 3.09 0.31 1.35 0.00 17.38 3.79 27 S C C 53.10 7.29 21.10 29.04 122.75 -164.77 -118.39 142.48 79.25 19.47 1.29 64.69 9.75 3.92 0.34 1.11 0.00 14.55 5.65 28 F C C 71.20 16.17 13.73 29.22 110.67 -163.66 -100.26 94.25 77.55 17.66 4.79 42.61 22.50 13.37 1.07 3.87 0.02 11.08 5.48 29 Y C T 152.79 3.73 18.57 22.73 100.76 68.65 -84.99 -24.11 88.64 6.51 4.85 16.40 32.47 40.28 0.64 4.14 0.00 4.70 1.37 30 D C T 82.04 6.53 18.83 25.74 104.12 17.77 -109.39 19.84 88.01 7.75 4.23 19.12 30.21 38.89 0.41 3.93 0.00 6.56 0.88 31 Y C C 39.18 19.42 14.93 33.67 127.03 100.98 -114.36 146.30 65.54 32.88 1.58 41.63 20.34 4.05 0.28 1.43 0.00 30.82 1.46 32 E E E 54.37 11.35 25.28 37.15 127.69 -155.95 -121.37 143.91 24.55 75.30 0.16 21.82 1.92 0.30 0.03 0.11 0.00 75.26 0.56 33 M E E 4.62 25.90 19.41 45.72 125.73 -160.98 -121.44 138.64 3.47 96.53 0.01 3.25 0.16 0.01 0.00 0.00 0.00 96.46 0.12 34 S E E 16.62 15.21 27.81 43.31 132.31 -174.51 -131.17 150.10 1.00 99.00 0.00 0.91 0.03 0.00 0.00 0.00 0.00 99.03 0.02 35 W E E 7.40 24.79 21.73 46.57 126.42 -151.96 -120.42 139.16 0.88 99.12 0.00 0.77 0.04 0.00 0.00 0.00 0.00 99.18 0.01 36 V E E 16.69 16.77 24.72 41.59 128.10 -169.78 -125.95 141.26 0.61 99.39 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.02 37 R E E 43.69 17.41 21.15 38.05 123.98 -161.88 -115.88 135.87 0.94 99.05 0.00 0.83 0.05 0.00 0.00 0.00 0.00 99.09 0.03 38 Q E E 64.50 11.74 19.02 31.31 116.11 -145.33 -101.60 127.85 9.16 90.83 0.01 8.50 0.43 0.02 0.00 0.01 0.00 90.46 0.58 39 A C C 27.61 11.58 13.41 26.49 118.97 -138.83 -79.88 153.34 95.27 4.68 0.05 93.51 1.45 0.28 0.01 0.04 0.00 4.26 0.45 40 P C T 98.56 4.41 12.62 18.88 109.39 -79.42 -58.44 134.20 99.25 0.17 0.58 0.39 3.79 95.07 0.01 0.60 0.00 0.10 0.04 41 G C T 69.07 0.30 13.13 10.83 95.49 16.49 83.02 -2.61 99.22 0.11 0.67 0.52 3.81 94.82 0.02 0.75 0.00 0.07 0.02 42 K C S 112.61 4.50 10.57 17.18 128.95 88.84 -120.18 162.95 94.40 4.54 1.06 35.10 55.13 4.35 0.16 1.00 0.00 2.24 2.03 43 A C C 72.70 2.57 17.08 19.58 118.88 -97.17 -76.08 161.02 92.57 7.32 0.11 77.46 14.53 0.59 0.02 0.12 0.00 6.31 0.97 44 L C C 55.26 17.91 12.00 29.16 114.79 -88.02 -71.64 138.41 58.37 41.60 0.03 56.00 1.39 0.07 0.00 0.03 0.00 42.13 0.38 45 E E E 77.24 9.47 21.58 31.58 126.13 -166.26 -122.57 138.54 4.94 95.05 0.01 4.52 0.25 0.02 0.00 0.01 0.00 95.03 0.17 46 W E E 88.17 16.05 19.98 35.56 110.72 -116.69 -73.27 127.98 1.12 98.88 0.00 1.07 0.03 0.00 0.00 0.00 0.00 98.87 0.03 47 I E E 11.31 21.15 21.53 42.85 101.37 176.08 -101.96 -25.31 6.63 93.36 0.00 3.91 2.10 0.06 0.00 0.00 0.00 93.91 0.02 48 G E E 2.65 20.19 23.70 44.02 146.43 -20.50 -170.22 165.53 1.27 98.73 0.00 0.92 0.15 0.01 0.00 0.00 0.00 98.91 0.01 49 S E E 13.99 19.09 23.98 42.56 137.23 -151.68 -145.09 152.00 0.59 99.41 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.46 0.01 50 M E E 24.85 17.40 20.32 38.03 120.01 -143.22 -114.20 130.24 0.77 99.23 0.00 0.67 0.05 0.00 0.00 0.00 0.00 99.10 0.17 51 Y E E 56.71 11.46 17.98 30.38 126.98 -156.09 -99.79 168.74 46.01 53.85 0.14 42.87 1.80 0.31 0.03 0.10 0.00 53.91 0.97 52 H C T 120.20 9.11 14.30 24.32 91.93 -97.60 -63.51 -24.19 96.58 2.23 1.19 1.36 5.96 89.41 0.05 1.19 0.00 1.83 0.21 53 S C T 84.26 1.59 16.36 17.40 93.41 57.81 -85.59 -2.16 98.46 0.28 1.26 0.74 5.31 92.32 0.04 1.36 0.00 0.17 0.06 54 G C S 39.51 8.20 13.44 22.60 98.43 -102.46 88.74 5.35 96.99 1.31 1.70 15.64 74.68 6.72 0.14 1.57 0.00 0.81 0.43 55 R C C 122.00 4.23 18.22 23.69 117.77 137.53 -80.59 143.37 91.36 8.61 0.03 89.26 1.92 0.15 0.01 0.02 0.00 8.29 0.34 56 T E E 49.38 17.64 13.55 30.49 125.77 -155.45 -120.04 140.13 5.04 94.95 0.00 4.99 0.17 0.01 0.00 0.00 0.00 94.16 0.66 57 Y E E 84.23 10.05 22.40 32.99 130.14 -173.88 -131.15 143.83 1.77 98.23 0.00 1.58 0.09 0.00 0.00 0.00 0.00 98.18 0.14 58 I E E 56.16 17.52 17.24 33.93 122.83 -147.22 -109.46 137.28 12.21 87.77 0.01 11.74 0.45 0.02 0.00 0.00 0.00 86.67 1.11 59 N C C 22.85 17.27 13.45 31.29 112.10 -111.30 -70.24 137.81 97.43 2.52 0.05 96.83 0.77 0.08 0.01 0.02 0.00 2.12 0.16 60 P H G 105.15 2.43 18.23 21.30 91.40 -124.28 -60.11 -30.01 35.01 0.20 64.79 1.17 2.65 29.15 1.71 65.15 0.00 0.12 0.04 61 S H G 62.75 6.69 17.34 25.26 90.30 63.67 -69.58 -17.88 33.27 0.12 66.61 0.49 1.77 30.34 1.58 65.72 0.00 0.07 0.03 62 L H G 8.70 22.81 10.56 33.48 97.60 45.50 -103.48 -0.58 33.00 0.60 66.39 2.08 3.54 25.54 2.01 66.30 0.00 0.38 0.15 63 K C T 120.42 7.82 15.07 24.95 109.22 121.63 -61.23 130.66 90.82 2.62 6.55 3.67 4.03 83.90 1.49 4.03 0.01 1.29 1.58 64 S C T 97.42 1.05 19.18 18.87 94.53 15.42 74.93 -0.82 93.03 0.32 6.65 0.62 2.98 90.51 0.62 4.95 0.00 0.18 0.13 65 L C T 53.35 13.86 16.40 30.37 99.28 59.25 -98.88 -21.97 94.34 0.70 4.96 2.54 12.95 79.16 0.53 4.10 0.00 0.59 0.13 66 V E E 4.97 24.83 12.43 37.76 131.67 37.29 -132.98 145.89 18.65 81.20 0.15 13.59 5.47 0.38 0.06 0.10 0.00 78.86 1.54 67 T E E 62.24 6.21 26.62 33.37 125.34 -163.94 -121.77 140.13 2.71 97.28 0.01 2.51 0.10 0.01 0.00 0.00 0.00 97.28 0.10 68 I E E 23.05 23.88 14.58 38.07 122.80 -159.16 -119.26 131.28 1.71 98.28 0.00 1.65 0.03 0.00 0.00 0.00 0.00 98.28 0.03 69 S E E 47.42 6.70 25.09 32.11 132.48 -175.69 -131.46 152.11 2.90 97.09 0.01 2.58 0.13 0.01 0.00 0.00 0.00 97.24 0.04 70 R E E 85.41 18.04 13.54 30.54 123.53 -153.59 -117.81 135.58 4.89 95.08 0.03 4.20 0.48 0.05 0.01 0.01 0.00 94.97 0.27 71 D E E 58.58 6.88 16.37 24.94 109.10 -155.31 -105.03 107.47 24.10 75.80 0.10 22.91 1.01 0.16 0.03 0.07 0.00 74.47 1.35 72 N C T 99.74 7.14 12.36 21.43 93.78 -163.93 -68.20 -24.85 89.06 0.54 10.41 1.68 6.36 78.91 0.22 12.31 0.00 0.37 0.15 73 S C T 93.86 0.78 15.10 14.53 92.98 57.40 -72.11 -31.62 88.51 0.72 10.77 0.96 5.79 79.96 0.21 12.40 0.00 0.44 0.24 74 K C T 111.54 4.62 15.39 20.76 98.19 32.33 -97.11 -3.13 90.37 0.21 9.43 1.64 8.71 77.68 0.18 11.58 0.00 0.12 0.08 75 N C T 60.95 12.72 15.37 28.94 95.83 -129.57 55.98 41.28 99.45 0.25 0.30 8.06 7.56 83.85 0.04 0.24 0.00 0.20 0.04 76 T E E 28.84 11.84 21.34 34.37 134.01 122.73 -133.04 152.97 12.39 87.59 0.01 10.73 1.43 0.08 0.00 0.01 0.00 86.34 1.41 77 L E E 6.17 24.20 18.47 43.21 120.95 -147.57 -113.32 133.01 1.96 98.04 0.00 1.85 0.05 0.00 0.00 0.00 0.00 98.03 0.06 78 Y E E 48.25 13.07 26.52 40.04 121.81 -163.34 -116.83 133.47 1.41 98.59 0.00 1.24 0.03 0.00 0.00 0.00 0.00 98.72 0.00 79 L E E 3.62 25.82 19.67 46.17 119.29 -158.35 -109.84 129.83 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 80 Q E E 57.18 11.18 27.12 38.67 119.73 -162.46 -112.35 128.37 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.01 81 M E E 8.94 24.31 16.58 41.21 120.35 -167.62 -115.92 129.87 12.32 87.67 0.00 12.58 0.09 0.00 0.00 0.00 0.00 86.67 0.65 82 N C S 70.79 7.40 22.73 30.39 120.63 -154.50 -94.73 144.13 95.88 4.06 0.06 37.36 52.78 5.00 0.00 0.10 0.00 4.57 0.18 83 S C S 60.88 5.40 24.08 29.63 99.69 8.53 58.25 65.19 98.81 1.15 0.04 10.41 83.48 4.96 0.00 0.05 0.00 0.96 0.14 84 L C C 17.15 24.14 11.68 35.61 113.79 -150.65 -73.85 133.77 98.80 1.19 0.01 98.13 0.93 0.02 0.00 0.00 0.00 0.46 0.45 85 R C C 98.98 5.20 24.87 30.27 133.33 -176.78 -129.77 161.79 96.27 3.68 0.05 95.10 0.67 0.01 0.02 0.01 0.00 0.46 3.71 86 A H G 47.71 15.00 16.01 30.69 91.22 -101.56 -59.37 -33.05 4.45 0.03 95.52 0.33 0.33 2.79 0.41 96.12 0.00 0.02 0.00 87 E H G 117.72 4.69 22.23 27.67 90.01 62.86 -71.43 -17.02 3.61 0.04 96.35 0.21 0.26 2.37 0.41 96.71 0.00 0.04 0.00 88 D H G 12.72 21.54 17.16 38.85 94.66 66.52 -83.07 -0.19 4.97 0.06 94.97 1.17 0.59 1.72 0.57 95.90 0.00 0.05 0.00 89 T C C 33.36 17.46 21.85 38.80 114.41 107.38 -79.12 133.25 95.42 3.83 0.75 90.50 4.85 0.47 0.13 0.58 0.00 3.07 0.40 90 A E E 12.45 18.47 24.12 41.89 141.72 148.68 -155.75 168.71 10.24 89.68 0.08 9.62 0.71 0.08 0.03 0.04 0.00 88.27 1.25 91 M E E 33.96 17.63 25.76 42.74 119.49 -105.92 -103.20 132.65 1.49 98.50 0.01 1.47 0.06 0.01 0.00 0.00 0.00 98.37 0.08 92 Y E E 7.77 24.81 22.67 47.13 125.22 -165.45 -115.64 138.99 0.99 99.00 0.01 0.92 0.06 0.01 0.00 0.01 0.00 98.97 0.03 93 Y E E 22.77 20.11 27.49 46.54 129.68 -169.73 -126.89 146.31 2.25 97.70 0.05 1.92 0.18 0.03 0.01 0.02 0.00 97.75 0.08 94 C E E 3.85 24.50 24.37 48.46 125.76 -161.47 -122.06 140.52 10.21 89.42 0.37 8.59 1.09 0.27 0.12 0.16 0.00 89.44 0.33 95 V E E 14.03 19.21 24.94 43.62 125.88 -160.67 -118.39 141.25 20.75 77.66 1.60 18.27 2.07 0.76 0.75 0.78 0.00 75.92 1.45 96 S E E 21.27 17.52 20.79 37.83 122.12 -158.07 -110.61 144.69 43.73 49.57 6.70 30.22 11.01 5.51 2.46 3.86 0.05 44.70 2.21 97 N C C 68.43 10.49 20.50 30.97 110.57 -133.98 -100.11 109.77 57.14 32.95 9.91 35.30 15.30 8.90 3.12 6.23 0.06 28.55 2.54 98 W C C 106.19 12.01 14.74 27.04 108.61 -156.30 -91.15 103.11 65.57 20.50 13.93 38.61 15.80 12.83 4.34 9.18 0.09 15.52 3.64 99 A C C 66.69 6.27 13.72 21.18 106.45 69.48 -86.68 51.16 76.59 10.45 12.97 31.47 20.86 25.99 3.17 8.95 0.06 6.72 2.78 100 S C T 79.68 3.71 13.32 18.34 107.46 42.47 -89.78 60.75 86.51 3.35 10.15 21.80 25.63 39.74 1.98 7.58 0.01 1.89 1.37 101 G C S 49.73 4.20 13.30 18.80 110.28 -7.40 85.86 -9.78 91.09 2.76 6.15 25.02 33.62 32.74 0.96 5.07 0.00 1.46 1.13 102 S C C 71.28 5.66 13.01 20.11 108.77 -6.74 -89.09 90.37 88.24 6.77 4.99 41.61 30.55 16.39 0.95 4.15 0.00 3.54 2.80 103 T C C 81.43 7.35 14.88 23.16 106.78 -131.82 -89.54 79.61 85.29 8.39 6.32 40.94 23.75 21.37 1.18 5.16 0.01 5.01 2.59 104 G C C 30.30 11.70 15.83 27.61 115.41 -97.89 87.04 164.95 83.03 10.81 6.16 43.28 21.25 19.30 1.09 5.15 0.01 7.40 2.53 105 D C C 66.69 11.34 18.44 29.79 110.45 -66.72 -89.41 117.50 72.72 20.26 7.02 49.02 14.41 9.64 1.69 5.56 0.01 15.90 3.77 106 Y C C 83.12 14.95 18.93 33.22 114.94 142.37 -98.03 124.82 56.25 37.27 6.49 34.35 12.93 9.78 2.19 4.53 0.10 27.92 8.21 107 W C C 65.35 18.28 18.98 35.86 105.45 -160.32 -93.89 26.87 53.99 40.04 5.98 30.35 12.13 13.46 2.15 4.07 0.15 27.59 10.12 108 G C C 22.13 15.18 20.40 34.42 120.06 -140.46 59.34 -158.20 75.09 21.07 3.83 36.99 21.17 18.29 0.76 3.13 0.01 16.81 2.84 109 Q C C 97.45 9.62 22.73 32.03 101.68 -40.87 -84.01 7.39 78.84 17.69 3.47 32.98 29.23 17.70 0.57 2.84 0.01 14.50 2.18 110 G C C 15.62 18.05 19.23 35.85 123.67 -117.07 86.85 174.95 74.14 24.82 1.04 42.41 22.47 8.99 0.12 1.07 0.00 23.75 1.19 111 T E E 23.85 19.16 21.25 39.71 121.60 -99.06 -107.27 135.06 26.08 73.79 0.13 21.79 3.91 0.39 0.03 0.11 0.00 72.83 0.96 112 L E E 64.22 12.63 24.84 37.21 116.71 -137.95 -96.67 129.35 3.97 96.01 0.01 3.56 0.29 0.02 0.00 0.00 0.00 95.93 0.19 113 V E E 9.06 24.28 17.32 41.74 121.62 -167.91 -113.99 131.02 1.52 98.48 0.00 1.44 0.07 0.01 0.00 0.00 0.00 98.43 0.05 114 T E E 55.23 8.58 25.61 34.55 119.74 -156.69 -107.93 134.05 2.04 97.96 0.00 1.93 0.09 0.01 0.00 0.00 0.00 97.84 0.13 115 V E E 22.88 21.73 13.68 34.73 119.77 -157.10 -107.36 132.16 13.47 86.47 0.06 12.36 0.82 0.10 0.02 0.03 0.00 85.83 0.84 116 S C C 53.82 6.74 18.25 25.72 126.26 -168.14 -114.43 157.85 55.74 44.16 0.09 53.13 1.32 0.27 0.02 0.06 0.00 44.00 1.20 117 S C C 73.87 6.61 16.02 23.65 107.82 -101.33 -79.59 128.31 99.69 0.30 0.01 99.59 0.15 0.03 0.00 0.00 0.00 0.21 0.01