# 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 A C C 47.17 11.45 17.36 29.04 117.53 -151.96 -92.79 141.56 99.93 0.07 0.00 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.00 1 K C C 116.04 7.00 21.18 28.52 113.00 -125.45 -87.25 128.61 92.26 7.41 0.33 89.61 1.86 1.08 0.12 0.14 0.00 4.07 3.12 2 I C C 11.39 24.43 10.88 34.84 119.75 -145.46 -99.71 135.91 88.60 11.20 0.19 83.75 4.36 0.24 0.10 0.07 0.00 4.10 7.38 3 R C C 107.08 5.11 23.38 28.61 130.42 -163.49 -116.53 157.99 96.73 3.16 0.11 96.69 0.62 0.08 0.03 0.04 0.00 1.16 1.38 4 R C T 120.27 10.86 15.31 26.49 109.70 -91.09 -61.36 139.24 99.11 0.64 0.25 0.27 1.52 97.63 0.01 0.15 0.00 0.35 0.07 5 D C T 101.33 3.73 20.44 24.84 93.66 19.20 75.23 3.56 99.67 0.22 0.11 0.27 1.66 97.81 0.00 0.09 0.00 0.15 0.01 6 D C C 29.10 15.13 14.59 30.71 118.47 136.55 -73.39 146.67 96.56 3.41 0.02 93.77 2.72 0.10 0.00 0.02 0.00 3.26 0.12 7 E E E 81.85 8.36 24.39 33.21 115.18 -121.75 -85.62 132.68 3.78 96.21 0.01 3.95 0.10 0.01 0.01 0.00 0.00 94.75 1.17 8 V E E 3.41 25.54 17.04 43.21 130.80 -173.66 -127.94 150.07 1.56 98.43 0.01 1.45 0.07 0.01 0.00 0.00 0.00 98.39 0.08 9 I E E 32.69 11.83 25.95 38.94 118.81 -140.66 -109.59 129.97 2.86 96.90 0.24 2.58 0.25 0.12 0.08 0.13 0.00 96.68 0.15 10 V E E 9.90 21.42 17.64 39.84 109.46 -125.96 -79.53 122.30 16.03 83.86 0.11 15.64 0.57 0.10 0.03 0.07 0.00 82.58 1.00 11 L C C 48.16 11.85 21.27 33.93 99.59 176.33 -98.11 -24.42 91.36 8.35 0.29 59.11 29.09 2.75 0.04 0.31 0.00 8.11 0.59 12 T C S 59.60 5.12 22.19 28.02 139.63 15.05 -149.38 158.47 96.16 3.24 0.60 9.48 81.19 5.86 0.07 0.44 0.00 1.86 1.09 13 G C S 36.66 4.73 18.75 24.60 125.64 31.63 86.78 -161.55 91.82 1.38 6.79 6.45 76.01 9.96 0.61 5.40 0.00 0.54 1.03 14 K C T 156.40 2.27 18.38 21.06 93.31 -41.85 -69.81 -22.15 86.24 0.79 12.97 1.73 21.10 63.33 0.50 12.45 0.00 0.38 0.51 15 D C T 38.14 15.20 12.71 28.36 96.23 50.40 -99.02 8.12 88.35 0.82 10.83 4.55 11.13 71.38 0.54 11.52 0.00 0.48 0.40 16 K C T 101.02 11.00 13.71 25.82 110.89 131.54 -61.20 132.47 96.96 0.76 2.28 1.55 2.45 93.23 0.27 1.70 0.00 0.36 0.42 17 G C T 49.34 3.94 19.62 24.18 94.07 21.10 86.29 -2.49 98.37 0.56 1.07 1.48 3.06 93.88 0.09 0.96 0.00 0.43 0.10 18 K C C 82.85 9.99 17.94 28.94 119.73 125.46 -77.23 145.72 96.75 3.02 0.23 91.55 4.46 0.70 0.04 0.20 0.00 2.80 0.25 19 R E E 118.88 10.32 19.95 31.22 127.22 -152.27 -117.61 144.92 9.55 90.37 0.08 9.18 0.60 0.07 0.06 0.03 0.00 84.92 5.13 20 G E E 9.49 15.03 20.51 36.00 143.38 147.89 -161.03 175.80 4.33 95.65 0.02 3.62 0.47 0.04 0.00 0.01 0.00 95.80 0.06 21 K E E 93.20 6.92 25.71 33.47 120.22 -84.72 -98.71 139.41 1.58 98.41 0.01 1.37 0.11 0.01 0.00 0.00 0.00 98.47 0.04 22 V E E 6.81 24.75 13.10 38.69 109.94 -115.79 -75.32 125.57 2.21 97.75 0.03 2.15 0.07 0.01 0.01 0.01 0.00 97.69 0.06 23 K E E 98.86 5.97 22.65 29.30 100.36 175.93 -97.16 -29.30 3.61 96.31 0.08 2.60 0.73 0.06 0.01 0.06 0.00 96.50 0.04 24 N E E 75.61 4.97 24.69 30.35 138.72 0.55 -153.68 151.18 1.11 98.85 0.03 0.81 0.14 0.02 0.00 0.02 0.00 99.00 0.01 25 V E E 41.67 19.65 13.80 32.50 121.06 -148.75 -116.44 128.28 1.74 98.22 0.04 1.55 0.11 0.02 0.01 0.01 0.00 98.07 0.23 26 L C E 47.50 10.42 14.28 26.33 118.63 -136.64 -81.39 154.51 50.69 49.11 0.20 47.83 1.30 0.30 0.04 0.13 0.00 49.70 0.71 27 S C T 90.13 2.65 15.08 18.78 93.28 -110.54 -63.84 -21.42 82.48 14.24 3.29 11.32 8.77 62.61 0.26 3.17 0.00 13.23 0.64 28 S C T 77.60 2.77 17.09 20.10 94.27 55.19 -83.60 1.92 97.59 0.49 1.92 18.85 7.42 71.05 0.17 2.04 0.00 0.36 0.11 29 G C C 19.84 13.52 14.89 28.86 97.65 -102.01 85.87 7.24 96.79 1.10 2.11 37.80 29.66 28.64 0.11 2.76 0.00 0.84 0.18 30 K E E 62.60 10.25 20.87 31.97 121.13 132.84 -88.40 147.93 49.67 50.30 0.04 46.75 1.48 0.12 0.00 0.02 0.00 50.99 0.63 31 V E E 5.79 23.71 17.19 41.66 120.07 -148.14 -109.93 131.12 0.69 99.31 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.33 0.03 32 I E E 37.07 10.86 26.27 38.23 117.21 -156.77 -108.83 126.31 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 33 V E E 5.66 24.44 16.41 41.44 116.81 -164.90 -108.93 124.08 0.28 99.72 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.01 34 E E E 92.33 7.13 23.53 30.88 120.46 -156.07 -98.44 143.78 10.72 89.22 0.06 5.52 3.03 1.47 0.00 0.08 0.00 89.80 0.11 35 G E E 33.63 6.46 22.89 30.06 98.99 18.15 79.63 20.42 40.36 59.54 0.10 11.06 22.46 4.93 0.01 0.11 0.00 61.28 0.15 36 I E E 26.25 22.58 12.91 34.38 113.68 148.13 -90.26 124.40 39.54 60.19 0.27 34.52 3.69 0.62 0.04 0.21 0.00 60.46 0.46 37 N E E 76.08 7.61 22.54 30.29 111.63 -159.83 -106.38 105.15 30.73 69.04 0.24 22.94 6.59 1.29 0.03 0.21 0.00 68.43 0.52 38 L E E 59.35 15.14 15.16 30.14 117.29 -158.42 -96.40 132.10 12.29 87.61 0.10 10.45 1.53 0.20 0.02 0.07 0.00 87.07 0.66 39 V E E 53.54 10.52 15.96 27.78 124.06 -169.60 -119.53 138.12 5.58 94.38 0.04 4.95 0.51 0.06 0.01 0.02 0.00 94.17 0.28 40 K E E 117.63 7.53 14.95 23.84 116.56 -139.30 -97.53 130.00 6.68 93.27 0.05 5.62 0.75 0.12 0.01 0.03 0.00 93.31 0.16 41 K E E 105.60 7.06 13.82 22.35 122.16 -165.70 -113.60 139.22 12.25 87.59 0.16 9.67 2.16 0.38 0.03 0.10 0.00 87.40 0.25 42 H E E 112.09 6.64 12.24 20.42 116.67 -127.18 -96.56 133.49 18.74 81.00 0.26 15.97 2.46 0.49 0.07 0.17 0.00 79.93 0.91 43 Q E E 91.43 7.61 11.26 20.50 120.54 -161.92 -106.79 138.33 37.03 62.71 0.25 31.38 4.99 0.58 0.08 0.18 0.00 60.60 2.19 44 K C C 134.95 3.10 13.48 17.96 115.55 -117.30 -85.65 137.93 74.02 25.81 0.17 64.43 7.63 0.47 0.05 0.12 0.00 26.43 0.87 45 P C C 74.82 7.37 9.76 18.76 112.79 -105.23 -67.68 146.77 80.15 18.53 1.32 66.76 10.76 2.02 0.54 0.82 0.00 16.63 2.46 46 V C C 75.37 5.01 9.32 16.47 114.98 -135.17 -101.00 128.65 82.59 14.08 3.34 67.75 11.09 2.36 1.99 1.58 0.00 7.57 7.66 47 P C G 104.68 2.19 9.74 13.31 98.29 -128.04 -66.39 -30.06 53.39 2.10 44.51 21.05 9.76 22.58 5.83 38.83 0.01 1.28 0.67 48 A C G 90.22 1.27 9.57 11.52 96.55 55.75 -73.59 -18.78 52.47 1.64 45.90 15.68 10.07 27.06 5.49 40.10 0.01 0.94 0.65 49 L C G 102.74 3.64 8.44 13.71 100.73 46.54 -92.86 9.41 55.58 1.45 42.97 12.87 12.85 30.21 4.13 38.47 0.01 0.74 0.73 50 N C T 134.48 1.28 11.68 13.66 96.79 -121.48 55.95 34.13 93.31 1.74 4.95 28.19 18.11 47.00 0.76 4.32 0.00 1.06 0.57 51 Q C C 95.87 4.54 10.00 16.67 122.50 122.39 -108.33 143.25 84.98 14.44 0.58 46.69 37.80 1.84 0.17 0.44 0.00 8.24 4.82 52 P C C 105.20 2.29 13.50 16.82 111.94 -101.53 -67.69 144.09 81.80 17.12 1.08 61.53 12.46 7.66 0.22 1.06 0.00 13.77 3.30 53 G C C 35.87 9.52 10.83 21.04 122.81 -142.17 -115.54 176.07 79.21 20.12 0.66 48.24 20.38 10.46 0.08 0.71 0.00 18.84 1.28 54 G E E 33.90 5.86 15.19 22.26 126.33 -160.37 127.82 -172.12 45.27 54.45 0.28 31.71 11.38 2.23 0.03 0.29 0.00 53.58 0.78 55 I E E 89.59 9.91 13.02 23.89 121.29 -78.51 -107.52 135.12 9.63 90.36 0.02 8.48 0.83 0.05 0.00 0.01 0.00 90.25 0.37 56 V E E 60.97 8.43 14.54 24.70 123.32 -167.70 -119.10 137.72 1.87 98.12 0.00 1.73 0.07 0.00 0.00 0.00 0.00 98.13 0.07 57 E E E 113.07 8.31 14.16 24.05 120.41 -151.18 -108.73 134.13 2.26 97.73 0.01 1.87 0.18 0.01 0.00 0.00 0.00 97.90 0.03 58 K E E 91.89 6.89 16.80 25.24 131.44 169.62 -136.51 149.85 4.13 95.83 0.03 3.57 0.34 0.04 0.01 0.01 0.00 95.94 0.08 59 E E E 101.00 10.47 16.12 27.25 117.11 -119.32 -86.74 135.96 10.54 89.41 0.05 9.65 0.70 0.07 0.01 0.03 0.00 89.24 0.31 60 A E E 22.94 13.90 17.84 32.65 135.93 173.28 -139.81 156.36 26.47 73.50 0.03 24.35 1.16 0.07 0.01 0.02 0.00 74.14 0.25 61 A E E 48.62 10.65 22.18 32.81 115.28 -105.32 -74.62 141.97 20.32 79.67 0.01 18.36 1.25 0.05 0.00 0.01 0.00 79.98 0.34 62 I E E 9.84 23.88 15.73 39.83 125.62 -163.32 -120.22 139.27 7.20 92.79 0.01 6.95 0.30 0.01 0.00 0.00 0.00 90.16 2.57 63 Q E E 67.02 8.24 25.13 34.01 109.57 -119.74 -77.15 125.98 18.23 81.76 0.01 19.31 0.20 0.01 0.00 0.01 0.00 78.91 1.56 64 V H G 23.09 22.40 15.82 37.93 91.90 -137.37 -62.44 -30.11 7.29 0.41 92.30 1.27 0.89 3.96 0.76 92.69 0.00 0.43 0.01 65 S H G 60.35 8.53 22.47 31.83 90.72 67.08 -71.19 -15.26 6.56 0.30 93.13 0.43 0.62 4.62 0.52 93.51 0.00 0.29 0.01 66 N H G 55.04 12.53 21.76 34.87 97.26 54.74 -99.51 3.92 7.48 0.35 92.17 0.90 0.95 4.45 0.46 92.91 0.00 0.31 0.01 67 V E E 6.63 25.09 17.31 42.84 120.82 95.53 -102.79 136.29 38.15 60.32 1.53 31.22 5.98 0.62 0.80 0.87 0.01 53.55 6.94 68 A E E 22.16 14.71 25.66 40.34 124.30 -159.73 -112.63 140.75 33.83 66.06 0.11 32.82 0.86 0.10 0.04 0.05 0.00 63.74 2.39 69 I E E 19.24 20.68 21.43 41.73 117.78 -143.72 -104.20 129.36 25.93 74.00 0.08 22.42 3.00 0.20 0.02 0.05 0.00 73.57 0.74 70 F E E 53.05 13.02 19.67 33.54 119.95 -159.35 -108.42 131.58 4.25 95.70 0.05 3.99 0.20 0.01 0.09 0.01 0.00 67.64 28.07 71 N C C 34.06 11.71 14.60 28.38 108.28 -130.20 -84.97 116.29 67.73 32.23 0.03 67.83 0.64 0.06 0.01 0.02 0.00 29.58 1.86 72 A C T 67.09 6.84 14.14 22.75 92.89 -156.52 -65.80 -26.61 99.70 0.07 0.24 0.29 2.93 96.55 0.01 0.17 0.00 0.04 0.01 73 A C T 88.17 1.42 14.74 15.91 96.60 47.70 -75.44 -39.56 99.70 0.05 0.25 0.10 1.95 97.73 0.00 0.18 0.00 0.02 0.01 74 T C T 79.85 3.11 13.55 17.49 101.21 21.00 -104.42 -17.22 99.76 0.04 0.20 0.23 2.30 97.27 0.00 0.16 0.00 0.02 0.01 75 G C C 40.50 7.39 12.23 21.30 96.17 -125.34 77.32 7.28 99.35 0.45 0.21 69.48 9.20 20.65 0.04 0.17 0.00 0.32 0.14 76 K C C 112.58 3.50 18.94 23.35 120.05 133.39 -84.01 147.23 84.94 14.98 0.08 71.39 13.40 0.50 0.02 0.08 0.00 12.93 1.66 77 A E E 40.85 15.08 14.75 29.66 115.52 -107.12 -73.80 143.09 5.46 94.50 0.04 4.95 0.30 0.02 0.05 0.01 0.00 56.66 38.00 78 D C C 39.90 13.73 18.15 32.18 120.36 -166.53 -118.65 156.83 55.39 44.57 0.04 47.72 5.43 0.27 0.01 0.04 0.00 46.22 0.31 79 R E E 97.62 10.89 22.00 32.80 118.13 -101.43 -95.68 135.58 26.08 73.88 0.04 22.10 3.20 0.16 0.00 0.03 0.00 73.78 0.72 80 V E E 24.35 19.79 16.70 36.16 120.71 -158.15 -107.61 134.32 8.55 91.44 0.01 8.11 0.23 0.01 0.00 0.00 0.00 91.50 0.15 81 G E E 12.30 11.93 21.91 34.67 136.50 162.64 -134.67 167.74 1.44 98.56 0.00 1.25 0.06 0.00 0.00 0.00 0.00 98.66 0.03 82 F E E 69.67 15.65 16.26 31.69 129.52 -135.57 -129.00 144.27 0.74 99.26 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.30 0.02 83 R E E 93.66 7.91 17.37 26.49 131.46 -176.09 -132.88 151.50 0.90 99.09 0.00 0.76 0.05 0.00 0.00 0.00 0.00 99.17 0.02 84 F E E 106.14 8.33 12.12 21.99 116.08 -131.21 -100.15 127.53 5.23 94.76 0.01 4.37 0.46 0.04 0.00 0.01 0.00 95.03 0.09 85 E E E 92.54 6.12 9.62 17.77 121.65 173.13 -133.56 126.60 11.33 88.49 0.17 6.11 3.10 1.65 0.02 0.19 0.00 88.50 0.44 86 D C T 138.03 0.38 11.57 10.45 92.99 -14.02 52.17 40.42 99.54 0.24 0.22 0.59 5.63 93.31 0.00 0.28 0.00 0.17 0.02 87 G C T 64.34 0.91 10.65 11.77 94.61 -50.83 79.39 2.61 99.72 0.10 0.17 0.60 6.53 92.56 0.00 0.23 0.00 0.07 0.01 88 K E E 121.04 2.71 12.33 16.82 125.53 103.72 -114.67 145.25 7.63 92.36 0.01 5.16 2.05 0.13 0.00 0.01 0.00 92.41 0.25 89 K E E 106.65 7.88 12.81 22.29 114.65 -119.19 -83.73 130.36 2.07 97.93 0.00 1.81 0.06 0.00 0.00 0.00 0.00 98.09 0.02 90 V E E 28.97 12.45 15.08 29.42 126.94 -174.42 -124.91 145.23 1.02 98.98 0.00 0.93 0.02 0.00 0.00 0.00 0.00 99.04 0.01 91 R E E 72.41 11.94 18.92 31.74 116.64 -133.89 -98.71 130.85 0.62 99.38 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.01 92 F E E 33.45 13.10 18.34 33.00 128.57 -173.53 -125.60 146.50 0.39 99.61 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.58 0.08 93 F E E 23.52 15.09 14.06 30.96 110.27 -116.04 -77.45 125.61 4.75 95.25 0.01 4.42 0.18 0.01 0.00 0.00 0.00 94.71 0.67 94 K C T 106.04 8.10 16.10 25.43 94.06 -148.28 -66.60 -32.19 98.68 0.84 0.48 0.91 3.41 94.54 0.02 0.43 0.00 0.61 0.08 95 S C T 77.18 3.21 15.81 19.67 97.14 48.05 -76.40 -36.67 99.10 0.31 0.59 0.25 2.11 96.91 0.01 0.48 0.00 0.16 0.08 96 N C T 83.71 4.46 13.49 19.21 102.67 21.40 -108.47 -8.86 99.32 0.19 0.49 0.84 3.39 95.11 0.02 0.49 0.00 0.12 0.04 97 S C C 75.58 5.50 13.05 20.34 94.41 -127.11 68.69 15.27 99.09 0.62 0.28 64.65 7.63 26.84 0.06 0.22 0.00 0.47 0.14 98 E C C 95.76 4.53 14.57 20.95 118.66 142.03 -79.41 145.17 79.64 20.28 0.09 71.51 7.17 0.60 0.02 0.07 0.00 19.30 1.32 99 T E E 78.76 7.11 15.70 24.15 114.07 -116.81 -81.20 134.23 4.30 95.66 0.04 3.95 0.23 0.01 0.07 0.01 0.00 57.08 38.65 100 I C C 32.04 19.11 13.74 32.09 108.52 -161.37 -97.40 109.23 93.24 6.75 0.00 93.25 0.08 0.01 0.00 0.00 0.00 6.62 0.04