# 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 Q C C 112.56 5.01 18.35 24.46 118.67 -160.37 -106.16 132.98 99.15 0.84 0.01 99.22 0.07 0.01 0.00 0.00 0.00 0.68 0.02 1 V E E 52.01 17.21 10.77 27.01 121.17 -161.03 -110.34 131.53 42.98 56.86 0.16 42.53 0.44 0.13 0.06 0.06 0.00 55.74 1.03 2 Q E E 105.81 4.15 18.89 24.10 121.34 -165.11 -114.33 134.18 22.58 77.12 0.30 20.96 1.27 0.30 0.13 0.16 0.00 76.04 1.14 3 L E E 70.92 15.93 11.79 27.06 117.26 -140.44 -92.49 131.61 27.13 72.38 0.49 25.25 1.42 0.36 0.20 0.25 0.00 71.37 1.14 4 Q E E 98.14 6.50 17.72 25.42 122.14 -171.64 -118.06 140.25 41.33 57.86 0.81 32.15 7.27 1.96 0.19 0.62 0.00 56.62 1.19 5 G C C 39.63 9.30 15.92 25.77 123.96 -112.64 -91.87 159.39 63.24 36.12 0.64 39.09 19.95 4.47 0.08 0.65 0.00 34.70 1.06 6 S C C 62.64 10.24 16.01 26.55 111.98 -143.06 -104.33 104.83 78.66 20.75 0.58 55.49 19.19 3.84 0.10 0.62 0.00 18.78 1.96 7 G C C 30.43 8.78 18.06 27.31 132.43 -84.34 119.52 -176.27 86.65 13.06 0.29 46.39 36.93 3.95 0.04 0.34 0.00 10.85 1.52 8 P C S 75.90 8.84 18.10 27.40 110.08 -42.69 -70.53 142.73 89.60 10.03 0.37 35.46 44.04 9.87 0.03 0.46 0.00 9.35 0.79 9 G E E 24.60 13.11 18.85 31.48 116.06 -80.46 94.18 -19.36 45.80 53.88 0.32 24.32 18.97 4.34 0.04 0.38 0.00 50.77 1.19 10 L E E 70.86 12.62 20.84 33.14 120.75 46.73 -102.89 133.98 18.33 81.51 0.16 15.13 2.76 0.33 0.05 0.14 0.00 78.75 2.84 11 L E E 20.56 20.11 16.21 36.15 126.70 -169.20 -121.48 140.88 13.12 86.84 0.04 12.05 0.80 0.03 0.03 0.02 0.00 75.47 11.60 12 R C C 123.39 5.28 23.59 29.22 118.76 -124.12 -83.65 145.30 93.77 6.21 0.02 92.81 1.20 0.07 0.00 0.01 0.00 5.34 0.55 13 P C T 49.55 15.77 14.14 29.63 110.48 -93.21 -61.73 140.52 98.95 0.66 0.39 0.91 4.14 94.03 0.01 0.37 0.00 0.44 0.10 14 S C T 71.21 5.98 20.23 26.93 94.90 19.01 79.22 0.66 99.22 0.41 0.37 1.46 4.60 93.17 0.01 0.39 0.00 0.34 0.03 15 E C C 79.37 8.75 17.65 27.40 122.70 121.80 -87.46 156.84 94.98 4.86 0.16 69.46 25.29 0.39 0.01 0.17 0.00 4.30 0.37 16 T E E 73.56 8.96 19.25 28.97 119.98 -122.89 -99.41 137.61 43.11 56.87 0.02 42.12 0.69 0.03 0.00 0.01 0.00 56.78 0.36 17 L E E 14.59 22.04 14.92 36.95 125.23 -166.53 -121.02 139.31 0.63 99.37 0.00 0.65 0.01 0.00 0.00 0.00 0.00 99.26 0.08 18 S E E 53.84 8.42 24.24 33.26 122.39 -156.74 -114.00 134.52 0.35 99.65 0.00 0.35 0.00 0.00 0.00 0.00 0.00 99.64 0.01 19 L E E 8.78 24.47 16.14 40.77 122.41 -169.98 -118.90 132.09 3.10 96.89 0.00 2.93 0.08 0.00 0.00 0.00 0.00 96.95 0.04 20 T E E 60.64 7.95 25.87 34.42 122.64 -158.99 -113.18 136.43 15.68 84.31 0.01 14.51 0.44 0.02 0.00 0.00 0.00 84.91 0.11 21 C E E 7.17 24.45 15.52 40.03 130.52 -172.74 -131.36 145.78 17.96 82.00 0.04 16.98 0.67 0.06 0.01 0.02 0.00 82.00 0.25 22 S E E 47.86 7.58 26.43 34.53 125.25 -163.85 -119.30 140.49 10.69 89.25 0.05 10.14 0.57 0.06 0.02 0.03 0.00 87.90 1.28 23 V E E 12.83 23.52 13.97 37.30 119.26 -164.79 -116.23 128.12 20.34 79.53 0.13 19.25 0.96 0.12 0.07 0.07 0.00 76.27 3.27 24 S C E 59.94 6.70 19.92 27.35 121.64 -157.13 -108.93 145.71 60.43 39.04 0.52 33.51 19.19 8.95 0.07 0.56 0.00 36.54 1.17 25 G C S 57.74 1.98 19.83 21.53 96.38 11.69 80.64 1.72 90.67 8.76 0.57 13.44 61.75 15.09 0.04 0.62 0.00 8.39 0.67 26 V C C 40.77 15.99 11.95 27.84 126.32 106.95 -110.76 152.07 90.67 8.41 0.91 44.43 39.87 6.84 0.12 0.97 0.00 6.29 1.48 27 S C C 70.81 4.24 22.13 26.61 113.48 -130.17 -98.16 125.88 91.00 8.37 0.63 74.45 11.45 4.80 0.09 0.72 0.00 6.80 1.69 28 I C C 27.30 22.09 11.70 32.60 120.81 -165.10 -112.01 132.43 80.48 17.43 2.09 67.57 9.04 3.36 0.38 2.08 0.00 13.60 3.97 29 N C S 103.19 3.71 21.99 25.92 100.07 -164.16 -91.67 -23.12 80.69 17.71 1.60 26.94 41.90 12.12 0.13 1.66 0.00 16.08 1.16 30 S C E 41.93 8.78 21.81 31.08 135.13 14.51 -142.51 151.97 56.58 41.92 1.50 26.32 20.61 10.20 0.11 1.63 0.00 40.28 0.85 31 Y E E 26.01 22.60 16.47 38.34 131.66 -150.69 -132.25 147.54 29.13 70.80 0.07 26.17 2.37 0.14 0.01 0.05 0.00 70.82 0.44 32 Y E E 55.80 12.80 26.60 39.67 131.93 -167.54 -129.87 145.31 3.02 96.98 0.00 2.76 0.14 0.01 0.00 0.00 0.00 96.98 0.11 33 W E E 7.09 25.58 20.02 45.80 126.77 -165.33 -122.76 141.76 0.63 99.37 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.40 0.01 34 S E E 13.89 16.09 27.49 43.67 135.87 -176.12 -136.21 154.24 0.40 99.60 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.00 35 W E E 7.87 24.63 21.65 46.33 127.91 -154.18 -123.77 143.24 0.49 99.50 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 36 V E E 16.36 16.41 24.79 41.42 127.97 -167.27 -124.70 143.19 0.52 99.48 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.02 37 R E E 46.88 17.11 21.00 37.65 122.16 -157.36 -112.52 135.19 1.89 98.11 0.00 1.67 0.10 0.00 0.00 0.00 0.00 98.13 0.09 38 Q E E 51.31 12.47 18.09 31.47 117.66 -157.76 -110.47 124.69 37.31 62.69 0.01 34.38 1.65 0.03 0.00 0.01 0.00 63.42 0.50 39 P C C 43.55 9.01 14.88 25.72 117.24 -122.54 -70.27 154.86 98.32 1.62 0.06 95.72 2.19 0.49 0.01 0.04 0.00 1.35 0.21 40 P C T 95.31 5.27 12.17 19.32 109.31 -82.76 -58.92 136.02 99.28 0.10 0.61 0.55 4.26 94.42 0.01 0.66 0.00 0.06 0.03 41 G C T 68.47 0.35 13.11 11.11 95.59 19.01 83.42 -3.87 99.20 0.11 0.69 0.84 4.39 93.87 0.02 0.80 0.00 0.07 0.02 42 K C S 115.83 4.18 10.41 16.69 127.63 92.73 -116.02 162.06 96.14 2.96 0.90 43.63 49.80 2.81 0.15 0.80 0.00 1.33 1.49 43 A C C 74.51 2.25 16.77 18.95 118.62 -95.68 -75.06 163.87 94.35 5.50 0.15 76.36 17.14 0.92 0.03 0.17 0.00 4.54 0.85 44 L C C 58.84 17.48 11.36 27.91 114.78 -92.71 -72.01 138.62 62.26 37.69 0.05 59.00 1.98 0.12 0.00 0.04 0.00 38.43 0.42 45 E E E 78.89 8.89 20.94 30.56 125.72 -166.11 -121.56 138.57 6.84 93.13 0.02 6.15 0.50 0.04 0.00 0.02 0.00 93.09 0.21 46 W E E 95.44 15.28 19.09 34.02 110.61 -114.96 -74.31 127.06 1.07 98.92 0.00 1.03 0.04 0.00 0.00 0.00 0.00 98.89 0.04 47 I E E 14.81 19.75 20.94 41.05 100.83 175.81 -100.87 -24.76 3.88 96.11 0.01 2.65 0.93 0.04 0.00 0.00 0.00 96.36 0.02 48 G E E 2.84 18.23 23.61 42.41 145.83 -41.93 167.09 169.15 1.32 98.68 0.00 0.94 0.17 0.01 0.00 0.00 0.00 98.87 0.01 49 Y E E 36.22 18.14 24.73 42.30 134.26 -119.09 -138.64 150.14 0.62 99.38 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 50 I E E 11.06 20.84 21.00 42.08 119.45 -152.73 -113.88 128.58 0.80 99.19 0.00 0.68 0.04 0.00 0.00 0.00 0.00 99.21 0.06 51 Y E E 49.29 12.62 21.31 34.63 121.60 -162.37 -106.36 143.24 12.44 87.47 0.09 10.55 1.09 0.24 0.02 0.06 0.00 87.73 0.31 52 Y C T 88.10 15.43 15.88 30.82 95.31 -131.89 -72.69 -20.89 67.74 30.11 2.15 7.17 13.12 48.77 0.14 2.05 0.00 27.80 0.94 53 S C T 72.72 3.75 18.25 22.37 96.44 57.94 -87.81 0.15 94.24 3.41 2.34 5.02 17.02 71.85 0.13 2.60 0.00 2.95 0.42 54 G C S 41.96 7.40 14.93 23.21 100.98 -97.06 88.69 2.24 93.96 3.57 2.46 14.40 49.98 29.55 0.17 2.53 0.00 2.70 0.68 55 N C C 92.03 4.12 18.03 23.10 117.98 123.70 -88.63 145.80 70.14 29.49 0.37 57.09 9.48 2.38 0.07 0.36 0.00 29.03 1.60 56 T E E 56.94 16.95 12.60 28.54 124.43 -159.38 -118.01 139.22 33.97 65.79 0.24 28.36 4.49 0.73 0.07 0.21 0.00 63.25 2.89 57 N E E 74.83 7.24 21.45 29.37 125.49 -173.88 -126.98 138.82 26.25 73.55 0.20 20.93 4.93 0.75 0.06 0.17 0.00 70.57 2.58 58 Y E E 88.88 16.76 15.13 31.00 123.02 -158.80 -107.89 138.65 43.08 56.68 0.24 34.93 7.21 0.58 0.11 0.19 0.00 49.05 7.94 59 N C C 34.83 14.36 13.69 28.94 109.91 -144.54 -97.39 111.46 97.68 2.23 0.09 94.62 3.12 0.21 0.03 0.05 0.00 1.62 0.36 60 P H G 96.54 3.65 16.23 21.51 91.54 -154.12 -62.36 -26.93 37.70 0.37 61.93 2.94 3.38 29.25 3.34 60.75 0.00 0.24 0.11 61 S H G 71.46 4.11 17.19 22.39 90.83 64.38 -70.40 -18.63 37.06 0.30 62.64 1.57 2.73 31.36 3.55 60.50 0.00 0.19 0.10 62 L H G 14.28 21.17 10.71 31.63 97.63 49.36 -99.54 0.10 32.33 1.05 66.63 6.20 5.34 20.23 4.34 62.89 0.01 0.68 0.31 63 E C T 103.47 11.38 15.03 26.95 96.12 108.78 -59.91 -32.45 61.60 1.84 36.56 9.72 5.73 45.82 6.01 30.63 0.02 0.99 1.07 64 S C T 90.45 1.56 20.44 21.19 93.36 48.89 -71.04 -8.72 70.17 0.77 29.06 3.56 6.00 59.93 3.26 26.38 0.01 0.49 0.37 65 R C T 75.65 13.92 17.17 30.95 99.28 55.00 -97.43 -15.16 74.55 2.29 23.16 8.99 14.49 50.81 2.09 21.31 0.01 1.81 0.50 66 V E E 4.35 25.67 12.65 38.83 127.16 47.13 -127.43 138.50 24.19 75.14 0.67 19.58 4.72 0.60 0.32 0.35 0.00 72.96 1.45 67 T E E 62.47 6.47 26.78 33.87 125.12 -169.18 -122.38 138.22 4.01 95.92 0.07 3.59 0.30 0.03 0.03 0.03 0.00 95.82 0.21 68 I E E 19.80 24.27 14.54 38.55 122.96 -163.51 -117.04 130.83 3.08 96.88 0.04 2.87 0.12 0.01 0.01 0.02 0.00 96.91 0.05 69 S E E 48.54 6.36 26.10 32.82 126.62 -175.84 -125.71 143.95 2.84 97.14 0.01 2.52 0.14 0.01 0.00 0.01 0.00 97.28 0.04 70 V E E 36.48 20.68 13.31 33.27 121.15 -155.65 -115.64 129.37 2.93 97.04 0.03 2.55 0.24 0.03 0.01 0.02 0.00 97.03 0.12 71 D E E 56.49 6.38 18.37 26.29 110.47 -159.10 -109.97 110.37 12.75 87.18 0.07 12.12 0.55 0.07 0.02 0.04 0.00 86.33 0.85 72 R C T 128.23 9.41 12.68 23.62 93.64 -169.73 -68.22 -27.04 86.30 0.89 12.81 1.70 5.21 77.33 0.24 14.70 0.00 0.65 0.15 73 S C T 93.03 0.84 15.78 15.28 93.35 57.80 -70.37 -32.11 85.95 0.74 13.32 1.05 5.14 77.75 0.22 15.21 0.00 0.47 0.15 74 K C T 115.46 3.85 15.95 20.46 97.36 36.92 -94.52 -2.33 87.73 0.19 12.08 1.57 7.00 76.50 0.17 14.59 0.00 0.12 0.06 75 N C T 58.64 13.61 14.84 29.21 94.96 -128.79 57.23 41.75 99.57 0.19 0.24 5.40 4.48 89.72 0.03 0.18 0.00 0.16 0.02 76 Q E E 53.57 10.74 22.28 33.87 134.72 127.26 -134.48 152.77 6.48 93.51 0.01 5.66 0.56 0.04 0.00 0.01 0.00 92.67 1.05 77 F E E 9.40 24.28 17.68 42.17 125.99 -159.22 -123.13 140.99 1.84 98.16 0.00 1.68 0.05 0.00 0.00 0.00 0.00 98.20 0.06 78 S E E 23.47 12.80 26.60 39.91 128.46 -168.43 -125.82 143.28 3.06 96.94 0.00 2.59 0.13 0.01 0.00 0.00 0.00 97.26 0.01 79 L E E 4.69 25.52 18.68 44.78 122.24 -162.44 -117.12 131.24 0.55 99.45 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.01 80 K E E 84.82 9.08 26.73 36.20 117.85 -159.72 -109.27 126.31 0.28 99.72 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.69 0.02 81 M E E 11.65 24.06 15.05 39.30 118.11 -168.80 -112.68 124.75 9.08 90.92 0.00 9.35 0.06 0.00 0.00 0.00 0.00 89.58 1.00 82 T C C 68.62 6.05 22.39 28.77 125.18 -170.56 -109.95 151.61 88.97 10.99 0.03 45.15 39.71 2.31 0.00 0.05 0.00 12.58 0.20 83 S C S 67.45 4.11 23.84 28.06 96.39 12.26 56.32 54.22 97.50 2.48 0.02 9.06 85.64 2.60 0.00 0.02 0.00 2.56 0.11 84 V C C 12.46 24.85 10.75 35.29 115.31 -165.06 -83.78 135.46 96.37 3.62 0.01 95.91 0.98 0.01 0.00 0.00 0.00 2.40 0.69 85 T C C 55.63 5.20 25.02 30.02 133.29 -167.61 -126.10 167.06 90.29 9.68 0.03 90.00 0.41 0.01 0.01 0.01 0.00 2.17 7.38 86 A H G 53.97 13.19 16.52 29.73 90.72 -99.20 -59.48 -32.44 5.57 0.08 94.34 0.36 0.51 3.96 0.61 94.50 0.00 0.06 0.01 87 A H G 65.06 5.70 21.74 28.36 89.85 62.79 -70.45 -16.90 4.82 0.10 95.07 0.25 0.41 3.49 0.41 95.36 0.00 0.08 0.00 88 D H G 14.13 21.13 17.14 38.45 94.01 62.96 -87.28 -0.65 5.60 0.13 94.27 1.23 0.74 2.32 0.48 95.13 0.00 0.09 0.01 89 T C C 32.42 17.49 21.35 38.51 116.06 105.16 -82.21 134.99 91.68 7.84 0.48 87.94 3.55 0.38 0.09 0.35 0.00 7.33 0.37 90 A E E 14.50 17.63 23.42 40.43 143.30 160.54 -151.26 168.28 4.97 95.00 0.03 4.65 0.32 0.03 0.01 0.01 0.00 94.44 0.55 91 R E E 64.83 15.06 25.56 40.13 119.59 -106.22 -103.40 133.98 0.71 99.29 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.27 0.02 92 Y E E 8.30 24.78 21.03 45.70 125.41 -166.60 -118.41 140.17 0.46 99.53 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.55 0.01 93 F E E 25.04 18.43 27.55 45.26 129.28 -167.51 -123.87 145.30 1.65 98.33 0.03 1.42 0.10 0.02 0.01 0.01 0.00 98.41 0.05 94 C E E 3.50 24.88 23.48 48.04 128.04 -163.58 -123.64 144.43 9.40 90.22 0.38 7.90 0.91 0.23 0.14 0.15 0.00 90.39 0.29 95 A E E 9.26 18.89 24.17 42.78 127.35 -163.88 -119.44 145.98 16.40 82.66 0.94 14.64 1.34 0.44 0.46 0.38 0.00 81.73 0.99 96 R E E 65.21 15.98 21.67 36.91 117.79 -143.67 -100.38 135.06 34.03 64.11 1.87 25.68 8.13 2.57 0.72 1.19 0.01 59.36 2.34 97 Q C C 75.33 11.37 19.71 30.96 117.50 -131.55 -103.83 134.22 57.75 38.56 3.69 37.82 15.71 6.50 1.08 2.52 0.04 33.89 2.43 98 G C C 27.60 11.40 15.46 27.23 122.36 -147.52 -115.59 170.90 77.05 17.61 5.35 46.18 19.60 12.11 1.15 4.25 0.01 14.51 2.20 99 I C C 105.08 6.38 14.86 22.19 103.58 -101.07 -85.80 -4.30 77.30 12.98 9.71 31.81 25.29 21.98 2.07 7.23 0.05 8.24 3.32 100 F C T 130.60 4.96 13.39 19.63 110.79 45.01 -100.51 94.66 79.69 7.77 12.54 22.46 27.36 31.22 2.55 9.19 0.04 4.36 2.83 101 G C T 45.83 4.59 13.62 19.52 114.44 1.83 90.56 -162.40 83.93 2.76 13.30 21.18 28.44 34.86 2.01 10.84 0.01 1.46 1.21 102 D C T 105.77 4.19 14.01 19.45 103.51 -46.99 -84.51 14.49 80.94 4.31 14.75 24.29 25.33 32.45 2.40 11.42 0.01 2.28 1.81 103 Y C C 128.46 8.13 14.06 22.92 104.73 75.56 -91.22 28.19 77.42 9.89 12.69 30.16 21.71 27.09 2.40 9.61 0.03 5.47 3.52 104 G C C 31.16 10.60 16.73 27.61 113.34 70.00 -72.96 164.58 81.95 12.57 5.49 40.53 25.30 17.20 1.04 4.55 0.01 8.30 3.06 105 S C C 41.30 14.06 16.92 30.78 118.45 -114.93 -101.81 138.28 78.98 18.10 2.92 54.60 15.78 8.28 0.56 2.67 0.00 15.27 2.85 106 D C C 47.35 15.03 19.40 34.08 118.43 -147.84 -102.88 132.12 62.38 36.59 1.03 48.42 11.39 2.68 0.22 0.91 0.00 33.98 2.39 107 Y E E 87.10 14.77 21.58 35.52 120.58 -151.33 -104.87 133.92 29.48 70.00 0.53 24.46 3.52 0.85 0.24 0.35 0.00 64.38 6.20 108 W E E 43.35 20.60 18.28 37.85 118.56 -159.34 -104.38 134.87 25.31 74.43 0.26 21.14 2.09 0.34 0.19 0.15 0.00 61.68 14.42 109 G C C 16.46 14.04 20.69 34.45 127.50 -132.66 -86.48 -166.28 77.24 22.60 0.16 63.15 12.22 1.00 0.03 0.16 0.00 22.01 1.42 110 P C S 80.82 7.58 22.68 30.48 101.41 -59.29 -71.94 11.15 83.87 15.81 0.32 33.42 41.55 8.42 0.03 0.38 0.00 15.43 0.77 111 G C C 14.90 17.43 19.36 35.67 128.12 -114.12 92.42 166.28 71.77 28.01 0.23 53.19 12.92 3.73 0.02 0.26 0.00 29.35 0.54 112 T E E 20.44 19.34 20.46 39.37 123.99 -96.43 -114.78 137.16 10.93 89.05 0.02 9.96 0.61 0.03 0.00 0.01 0.00 89.01 0.38 113 L E E 65.69 11.42 25.34 36.74 115.81 -136.04 -97.10 128.17 0.94 99.06 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.08 0.03 114 V E E 5.27 25.14 16.60 42.37 121.17 -166.99 -114.28 132.05 0.53 99.47 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 115 T E E 54.72 7.87 26.01 34.30 120.01 -157.27 -108.75 132.33 0.89 99.10 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.08 0.03 116 V E E 17.20 22.46 13.01 34.98 119.26 -158.17 -105.47 132.07 9.76 90.22 0.02 9.07 0.45 0.04 0.00 0.01 0.00 89.94 0.47 117 S E E 54.72 6.44 18.09 25.29 124.42 -161.35 -107.87 157.10 49.04 50.88 0.08 47.05 0.88 0.20 0.02 0.06 0.00 50.59 1.20 118 S C C 75.48 5.91 16.04 23.12 108.27 -100.07 -77.60 129.53 99.68 0.31 0.01 99.65 0.10 0.02 0.00 0.00 0.00 0.22 0.01