# 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 103.09 5.78 19.94 26.47 119.27 -158.85 -101.81 133.46 99.17 0.83 0.01 99.23 0.06 0.01 0.00 0.00 0.00 0.67 0.01 1 V E E 43.14 19.42 11.45 29.60 121.97 -157.62 -110.92 133.56 45.70 54.16 0.14 45.38 0.38 0.10 0.06 0.04 0.00 53.37 0.68 2 Q E E 93.01 5.21 21.09 27.13 123.93 -166.95 -119.32 137.92 16.59 83.17 0.24 15.36 0.96 0.19 0.13 0.10 0.00 82.60 0.66 3 L E E 61.85 17.51 14.14 30.89 118.29 -140.97 -99.14 131.35 16.26 83.45 0.30 15.24 0.72 0.16 0.15 0.11 0.00 83.02 0.60 4 V E E 52.63 10.45 18.63 30.17 124.49 -169.74 -119.25 137.18 22.94 76.45 0.61 20.64 1.74 0.44 0.30 0.27 0.00 75.75 0.86 5 E E E 107.75 9.57 17.38 27.76 115.68 -131.61 -88.14 133.72 37.44 61.32 1.24 30.41 5.39 1.68 0.41 0.79 0.00 60.37 0.96 6 S C C 49.09 12.77 15.27 27.94 109.51 -167.95 -95.87 43.51 66.14 32.15 1.71 43.43 14.73 7.60 0.29 1.54 0.00 31.32 1.07 7 G C C 46.39 6.00 18.14 24.77 105.36 -108.37 87.02 3.87 77.36 21.56 1.07 31.39 31.38 14.82 0.10 1.12 0.00 20.12 1.06 8 G C C 37.04 9.99 16.36 26.58 120.94 13.90 113.64 164.69 76.77 22.50 0.72 37.31 29.87 9.73 0.07 0.83 0.00 21.16 1.03 9 G C E 32.26 9.58 17.99 27.91 125.40 91.99 113.27 -175.49 51.17 48.63 0.21 33.99 16.39 1.69 0.03 0.23 0.00 46.80 0.88 10 L E E 86.45 9.79 20.17 30.10 118.49 -61.12 -98.51 133.89 14.84 85.07 0.09 12.26 2.52 0.22 0.03 0.07 0.00 83.75 1.14 11 I E E 28.72 19.88 13.94 33.44 121.69 -162.66 -112.72 132.78 7.33 92.63 0.04 6.62 0.51 0.03 0.04 0.02 0.00 84.54 8.25 12 Q C C 95.27 5.26 22.24 27.89 121.07 -139.17 -90.42 147.12 89.23 10.75 0.03 89.19 0.51 0.05 0.01 0.01 0.00 9.65 0.57 13 P C T 74.51 11.05 14.47 26.07 110.05 -86.72 -59.44 137.73 99.04 0.76 0.21 0.41 2.74 96.09 0.01 0.16 0.00 0.54 0.06 14 G C T 52.12 2.92 18.69 22.13 96.71 21.67 87.65 -5.24 99.30 0.54 0.16 0.59 3.26 95.55 0.01 0.13 0.00 0.44 0.03 15 G C C 23.54 9.15 15.45 26.05 127.84 115.34 -91.41 171.77 88.39 11.54 0.07 72.53 15.53 0.27 0.01 0.07 0.00 10.90 0.69 16 S E E 56.20 8.77 20.14 29.93 130.89 -124.24 -130.14 151.32 34.23 65.74 0.03 34.24 0.59 0.04 0.00 0.02 0.00 64.06 1.04 17 L E E 20.14 22.32 15.51 37.44 127.19 -159.79 -126.27 140.65 2.21 97.78 0.00 2.12 0.06 0.00 0.00 0.00 0.00 97.73 0.09 18 R E E 116.09 7.93 24.61 33.29 119.38 -152.29 -112.66 129.00 0.74 99.26 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.26 0.02 19 L E E 9.80 24.81 16.71 41.66 122.72 -169.70 -116.96 134.56 2.22 97.77 0.02 2.08 0.09 0.01 0.01 0.00 0.00 97.75 0.06 20 S E E 40.95 9.87 26.36 36.58 127.23 -167.70 -118.29 143.22 12.42 87.44 0.14 10.96 0.94 0.14 0.04 0.06 0.00 87.64 0.22 21 C E E 8.83 24.49 16.86 41.15 132.51 -166.73 -137.63 145.65 23.65 75.75 0.60 21.26 1.89 0.37 0.26 0.29 0.00 74.92 1.01 22 A E E 43.31 9.12 25.58 35.21 119.10 -152.86 -103.93 135.73 28.58 69.36 2.06 24.24 3.47 1.05 1.26 1.03 0.01 64.33 4.61 23 A C C 14.92 21.97 14.20 35.51 122.59 -166.91 -113.31 134.94 58.99 35.08 5.93 50.15 5.81 2.56 2.28 3.69 0.01 32.64 2.87 24 S C S 61.27 6.68 19.50 26.70 117.07 -165.82 -103.37 145.49 70.46 19.17 10.37 21.61 26.20 24.56 3.02 6.74 0.12 15.90 1.84 25 E C S 125.80 4.39 19.85 24.71 99.79 7.92 11.19 24.21 73.34 15.91 10.75 14.97 31.28 28.72 3.31 6.59 0.13 13.35 1.64 26 F C C 61.92 17.03 13.67 29.95 116.17 98.00 -98.79 130.60 63.30 27.95 8.75 43.81 14.14 5.84 3.31 5.44 0.02 24.96 2.49 27 I C C 83.71 8.53 20.26 29.36 117.59 -161.19 -107.03 126.54 50.90 44.45 4.65 41.77 5.83 2.42 2.88 1.97 0.01 39.62 5.49 28 V C C 38.34 18.33 13.70 31.37 118.42 -161.96 -106.69 127.73 53.01 42.89 4.10 41.85 7.39 3.00 2.45 1.88 0.01 38.04 5.39 29 S C C 65.82 5.87 19.57 26.08 109.55 -168.08 -97.46 41.79 73.87 22.46 3.66 46.00 17.39 10.93 1.18 2.55 0.00 19.87 2.09 30 S C S 46.86 10.24 17.96 28.52 121.48 47.63 -110.35 154.06 86.54 9.44 4.02 20.07 39.29 27.54 0.82 2.96 0.00 8.36 0.97 31 N C S 69.30 12.65 18.22 30.66 99.51 -122.33 -94.46 7.38 83.07 15.02 1.91 16.89 45.13 20.40 0.18 1.64 0.00 14.98 0.78 32 Y E E 68.79 11.89 22.66 35.09 130.23 74.60 -127.38 147.11 26.44 73.28 0.28 19.90 5.57 1.20 0.04 0.25 0.00 72.47 0.57 33 M E E 6.91 24.74 18.60 43.49 128.38 -164.17 -126.68 141.60 4.55 95.44 0.01 4.12 0.25 0.02 0.00 0.00 0.00 95.49 0.12 34 S E E 19.56 14.69 27.17 42.10 128.07 -166.06 -123.65 144.55 1.20 98.80 0.00 1.08 0.04 0.00 0.00 0.00 0.00 98.86 0.02 35 W E E 9.58 24.25 20.95 45.16 128.64 -159.51 -123.80 143.46 0.73 99.27 0.00 0.64 0.03 0.00 0.00 0.00 0.00 99.32 0.01 36 V E E 19.15 16.05 23.98 40.37 127.72 -167.21 -124.51 142.40 0.43 99.57 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 37 R E E 51.32 16.34 20.95 36.93 125.60 -162.36 -118.02 140.50 0.58 99.41 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.45 0.01 38 Q E E 63.31 11.90 18.38 30.89 117.95 -147.08 -103.58 128.58 5.04 94.95 0.01 4.57 0.25 0.01 0.00 0.00 0.00 94.88 0.28 39 A C C 28.48 10.93 13.43 26.03 117.70 -130.49 -78.50 152.10 83.21 16.63 0.16 80.22 1.68 0.39 0.02 0.11 0.00 16.89 0.68 40 P C T 96.97 4.75 12.43 19.06 109.30 -82.72 -58.81 134.79 96.42 0.31 3.27 0.56 4.22 91.15 0.06 3.76 0.00 0.18 0.08 41 G C T 69.60 0.28 12.96 10.61 95.92 15.06 81.83 -3.73 96.30 0.13 3.57 0.61 3.90 91.19 0.07 4.11 0.00 0.07 0.04 42 K C S 130.85 3.28 11.55 16.39 109.82 78.34 -106.58 0.32 89.46 5.20 5.34 16.86 46.39 25.99 0.32 5.92 0.00 3.42 1.11 43 G C C 34.88 3.75 16.40 21.11 127.20 -112.83 91.59 -169.04 77.47 22.36 0.17 59.58 16.35 1.28 0.02 0.18 0.00 21.42 1.15 44 L E E 64.66 14.65 13.30 27.95 115.82 -29.86 -77.77 137.87 32.16 67.82 0.03 29.76 1.11 0.07 0.00 0.03 0.00 68.77 0.26 45 E E E 71.10 10.47 20.86 31.87 128.51 -171.53 -126.62 142.70 2.12 97.87 0.00 1.82 0.12 0.01 0.00 0.00 0.00 97.99 0.05 46 W E E 81.52 16.14 20.19 35.97 111.32 -113.00 -74.12 128.34 0.72 99.27 0.00 0.72 0.01 0.00 0.00 0.00 0.00 99.26 0.01 47 V E E 9.90 21.05 21.70 42.98 102.11 175.17 -100.58 -30.04 6.11 93.89 0.00 4.00 1.45 0.02 0.00 0.00 0.00 94.51 0.01 48 S E E 5.05 20.71 23.69 44.47 142.76 -3.95 -157.27 155.69 0.74 99.26 0.00 0.57 0.06 0.00 0.00 0.00 0.00 99.37 0.00 49 L E E 17.16 19.32 24.09 43.10 126.49 -156.65 -128.28 136.28 0.24 99.76 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 50 L E E 18.83 18.27 21.07 39.71 116.69 -156.03 -109.44 124.65 0.67 99.32 0.00 0.61 0.03 0.00 0.00 0.00 0.00 99.30 0.06 51 Y E E 54.38 12.48 18.41 31.71 124.85 -168.69 -106.35 155.64 32.34 67.54 0.12 28.84 2.06 0.31 0.02 0.10 0.00 68.17 0.51 52 S C T 59.67 11.24 15.04 26.35 105.53 -96.17 -66.15 129.33 86.81 10.35 2.84 3.42 9.00 74.78 0.10 3.06 0.00 9.01 0.63 53 G C T 59.70 1.60 16.52 17.79 96.11 22.16 76.08 -0.59 96.44 0.54 3.02 1.48 7.99 86.36 0.09 3.61 0.00 0.37 0.12 54 G C S 44.86 6.47 14.00 21.47 100.90 -90.51 90.39 3.25 94.27 1.43 4.29 10.82 57.00 25.91 0.19 4.77 0.00 0.93 0.38 55 T C C 72.64 4.51 17.45 23.13 118.74 131.44 -84.73 146.02 72.02 27.86 0.12 65.70 3.92 0.56 0.02 0.10 0.00 29.12 0.58 56 T E E 52.20 17.17 13.39 29.92 127.23 -158.30 -124.10 140.76 7.59 92.40 0.01 7.08 0.38 0.03 0.00 0.01 0.00 92.10 0.41 57 Y E E 82.53 10.45 21.89 32.88 130.90 -174.20 -131.32 145.06 1.97 98.02 0.01 1.78 0.12 0.01 0.00 0.00 0.00 97.89 0.20 58 Y E E 84.23 16.44 17.78 33.40 126.12 -150.48 -115.92 142.52 11.58 88.39 0.04 10.98 0.55 0.05 0.01 0.02 0.00 87.55 0.84 59 A C C 13.54 18.22 13.08 31.75 114.33 -110.73 -69.59 142.60 93.08 6.36 0.56 90.07 2.60 0.46 0.16 0.32 0.00 5.93 0.46 60 D H G 115.56 2.00 18.65 21.08 92.49 -122.03 -61.20 -31.18 36.87 0.49 62.64 2.43 4.81 28.78 3.94 59.57 0.00 0.30 0.17 61 S H G 59.30 7.52 17.59 26.20 90.82 62.65 -69.51 -19.43 36.11 0.23 63.66 0.97 2.89 31.65 3.42 60.84 0.00 0.13 0.09 62 V H G 8.47 22.74 10.98 33.82 97.70 43.99 -101.01 -2.83 37.21 0.69 62.10 2.25 4.29 30.07 4.39 58.26 0.01 0.42 0.29 63 K C T 123.54 6.96 15.01 24.46 110.15 122.29 -60.76 130.71 92.14 1.86 6.00 2.06 3.74 87.07 2.03 2.86 0.01 0.81 1.43 64 G C T 61.95 1.27 18.63 18.96 93.75 14.71 80.80 -2.20 94.71 0.27 5.03 0.81 3.46 91.50 0.86 3.10 0.00 0.16 0.11 65 R C T 85.71 12.38 17.08 29.73 100.04 81.11 -98.38 -20.86 94.08 1.54 4.38 6.64 23.25 64.54 0.76 3.19 0.00 1.36 0.26 66 F E E 9.13 24.27 12.39 36.94 135.42 36.33 -136.23 151.06 15.37 84.52 0.11 11.40 3.99 0.35 0.04 0.08 0.00 81.99 2.15 67 T E E 64.31 6.02 26.50 33.07 125.91 -160.35 -123.18 141.29 2.48 97.51 0.01 2.31 0.10 0.01 0.00 0.00 0.00 97.47 0.10 68 I E E 24.27 23.84 14.56 37.98 122.62 -157.79 -116.75 131.44 1.86 98.14 0.01 1.78 0.04 0.00 0.00 0.00 0.00 98.12 0.05 69 S E E 46.48 6.91 24.89 32.13 133.21 170.01 -134.47 152.66 3.26 96.73 0.01 2.89 0.16 0.01 0.00 0.00 0.00 96.86 0.07 70 R E E 91.35 16.91 13.78 29.96 123.04 -147.92 -115.63 136.23 7.50 92.44 0.06 6.59 0.76 0.09 0.02 0.04 0.00 92.00 0.51 71 D E E 55.84 7.94 14.84 24.55 109.17 -144.54 -99.66 111.23 39.33 60.49 0.18 36.94 1.64 0.32 0.04 0.13 0.00 59.54 1.39 72 N C T 110.42 5.03 12.64 19.77 93.80 -162.35 -68.99 -22.68 91.15 0.67 8.18 2.53 11.24 75.76 0.24 9.57 0.00 0.47 0.19 73 S C T 91.97 0.91 14.80 14.57 94.84 57.06 -74.44 -29.44 90.13 0.89 8.98 1.58 10.15 76.88 0.24 10.28 0.00 0.57 0.30 74 K C T 106.32 6.10 14.97 21.84 98.30 32.08 -98.50 -0.86 91.12 0.39 8.49 3.33 17.57 68.18 0.23 10.30 0.00 0.24 0.15 75 N C T 62.59 12.12 15.97 28.90 96.24 -130.46 53.55 41.43 99.08 0.52 0.40 12.54 15.11 71.41 0.04 0.40 0.00 0.43 0.07 76 T E E 26.33 12.66 20.79 34.58 133.52 116.47 -129.70 152.34 21.80 78.17 0.03 18.07 3.36 0.17 0.00 0.03 0.00 76.39 1.97 77 L E E 6.52 23.76 18.93 43.20 120.54 -145.80 -110.12 133.89 2.97 97.03 0.00 2.86 0.09 0.01 0.00 0.00 0.00 96.88 0.17 78 F E E 40.15 13.58 26.26 40.27 122.33 -160.75 -116.69 133.18 1.81 98.19 0.00 1.59 0.05 0.00 0.00 0.00 0.00 98.34 0.01 79 L E E 3.60 25.72 19.94 46.34 119.51 -158.75 -109.81 129.70 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 80 Q E E 54.68 11.42 27.06 38.89 119.72 -161.68 -111.40 128.20 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 9.00 24.20 16.85 41.36 120.45 -168.47 -115.72 128.91 12.34 87.66 0.00 12.61 0.09 0.00 0.00 0.00 0.00 86.67 0.63 82 N C S 69.47 7.61 22.78 30.63 116.12 -155.48 -92.03 146.92 96.67 3.28 0.05 41.69 50.59 3.86 0.00 0.09 0.00 3.61 0.16 83 S C S 58.53 5.58 24.24 30.01 106.84 8.97 57.08 84.21 98.96 1.01 0.04 12.35 82.83 3.84 0.00 0.05 0.00 0.78 0.14 84 L C C 18.19 24.12 11.66 35.51 112.92 -141.58 -73.85 130.82 99.01 0.98 0.01 98.20 1.01 0.02 0.00 0.00 0.00 0.33 0.44 85 R C C 99.65 5.04 24.31 29.48 133.32 171.36 -129.82 161.90 98.86 1.11 0.03 98.32 0.63 0.01 0.01 0.01 0.00 0.18 0.84 86 A H G 54.39 13.11 15.88 29.01 91.02 -101.97 -59.06 -33.24 4.19 0.03 95.78 0.32 0.32 2.57 0.37 96.41 0.00 0.02 0.00 87 E H G 119.34 4.44 21.70 26.89 90.16 62.54 -70.51 -17.43 3.43 0.04 96.53 0.20 0.25 2.20 0.35 96.96 0.00 0.04 0.00 88 D H G 12.31 21.66 16.34 38.27 94.25 64.96 -85.23 -1.43 4.47 0.05 95.47 0.83 0.49 1.69 0.52 96.42 0.00 0.04 0.00 89 T C C 35.14 16.88 21.54 38.08 113.09 109.52 -78.77 131.32 95.92 3.40 0.67 92.06 3.89 0.36 0.14 0.47 0.00 2.72 0.36 90 A E E 14.44 17.34 23.92 40.78 143.31 138.37 -154.59 171.87 11.19 88.62 0.18 10.21 0.96 0.12 0.09 0.10 0.00 86.63 1.86 91 M E E 35.64 16.84 25.53 41.95 118.93 -98.23 -100.11 133.74 2.38 97.58 0.04 2.39 0.11 0.02 0.01 0.02 0.00 97.33 0.12 92 Y E E 7.77 24.80 22.06 46.71 123.19 -161.23 -112.58 138.17 1.35 98.54 0.10 1.26 0.09 0.03 0.03 0.05 0.00 98.48 0.06 93 Y E E 23.20 19.64 27.50 46.19 131.05 -172.06 -127.22 147.80 2.45 97.32 0.23 2.10 0.21 0.07 0.06 0.10 0.00 97.36 0.10 94 C E E 4.32 24.11 23.80 47.58 125.59 -159.77 -121.10 142.75 10.99 88.45 0.56 9.39 1.14 0.30 0.18 0.23 0.00 88.37 0.39 95 A E E 10.15 18.74 23.35 41.89 123.05 -159.26 -108.10 144.76 20.19 78.74 1.07 17.77 2.09 0.70 0.46 0.52 0.00 77.21 1.26 96 R E E 65.14 14.88 20.56 35.21 118.34 -153.17 -108.14 136.53 37.99 60.59 1.42 26.90 10.79 2.96 0.47 0.99 0.01 55.54 2.35 97 D C C 68.40 9.96 18.35 28.55 113.23 -115.60 -97.00 119.22 58.73 40.18 1.10 38.94 16.03 4.89 0.20 0.97 0.00 37.48 1.48 98 R C C 124.24 8.45 14.84 24.10 105.51 -149.94 -95.14 31.44 78.82 19.74 1.44 40.57 29.78 9.52 0.25 1.34 0.00 16.59 1.96 99 G C S 33.36 6.06 14.09 21.41 127.71 30.66 109.05 174.60 88.51 6.96 4.53 32.14 37.30 19.50 0.69 4.06 0.00 4.61 1.70 100 P C T 102.98 3.10 14.15 18.19 98.50 -47.00 -72.55 -14.22 89.03 1.54 9.42 14.27 26.38 48.50 1.32 7.99 0.00 0.90 0.66 101 W C T 143.92 6.86 13.19 21.19 105.73 51.11 -92.72 38.47 82.60 6.43 10.97 20.26 21.99 41.24 2.01 8.42 0.02 4.24 1.81 102 L C C 70.81 11.14 13.51 25.31 110.64 103.14 -89.87 116.36 70.78 17.75 11.48 36.60 19.30 16.66 2.90 8.30 0.06 12.22 3.95 103 H C C 90.50 10.85 16.63 27.77 112.81 -163.86 -101.37 120.04 67.01 24.12 8.88 42.09 14.19 11.65 2.57 6.22 0.02 20.28 2.98 104 D C C 59.84 11.87 17.95 30.08 114.55 -157.57 -98.28 126.15 57.76 34.17 8.07 38.83 12.35 8.26 2.31 5.43 0.03 30.27 2.53 105 Y E E 84.71 14.33 18.66 32.65 117.34 -158.88 -103.52 128.46 41.75 52.78 5.46 29.45 7.89 5.61 2.53 3.32 0.06 44.68 6.46 106 W E E 66.31 17.47 17.47 34.22 111.85 -165.82 -99.82 112.82 46.52 49.96 3.52 31.19 9.44 7.62 1.58 2.22 0.04 39.50 8.40 107 G C C 24.06 14.02 18.93 32.31 118.55 -147.28 38.53 -163.10 74.69 23.77 1.55 39.81 24.00 11.73 0.33 1.26 0.00 20.94 1.91 108 Q C C 109.78 7.14 21.54 28.84 101.05 -48.56 -84.57 6.87 79.90 18.68 1.43 39.42 31.18 9.96 0.24 1.28 0.00 16.23 1.68 109 G C C 19.42 16.50 16.80 32.21 124.77 -124.31 87.18 173.88 75.94 23.62 0.44 50.60 19.88 4.53 0.05 0.48 0.00 23.58 0.87 110 T E E 36.85 15.68 18.71 34.29 122.77 -93.24 -109.69 140.92 25.87 74.02 0.11 22.10 2.98 0.41 0.02 0.09 0.00 73.68 0.71 111 L E E 83.85 9.50 21.05 30.96 116.40 -137.53 -96.55 129.79 3.60 96.38 0.02 3.16 0.38 0.05 0.01 0.01 0.00 96.15 0.25 112 V E E 25.62 19.64 14.23 33.69 121.82 -167.50 -116.05 131.33 3.15 96.84 0.01 3.00 0.16 0.02 0.00 0.00 0.00 96.62 0.20 113 T E E 71.18 6.01 21.14 27.91 120.30 -157.06 -107.95 135.04 10.55 89.44 0.01 10.72 0.15 0.02 0.00 0.00 0.00 88.35 0.75 114 V C C 33.43 19.56 14.05 32.86 115.22 -150.63 -97.39 125.39 98.57 1.42 0.00 98.75 0.05 0.01 0.00 0.00 0.00 1.18 0.01