# 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 N C C 116.53 3.17 12.07 16.43 104.24 143.07 -91.28 51.19 99.91 0.06 0.03 99.76 0.13 0.07 0.01 0.00 0.00 0.02 0.01 1 K C C 140.32 3.27 9.49 14.63 110.68 124.74 -90.28 115.68 91.98 1.17 6.85 80.22 2.40 10.33 3.12 2.67 0.00 0.63 0.63 2 E C C 147.47 1.61 10.39 13.21 112.16 -145.45 -89.58 131.39 90.86 2.48 6.66 59.53 18.15 13.27 2.91 3.55 0.00 1.21 1.38 3 L C C 84.89 8.51 7.48 17.02 117.44 -138.86 -89.99 139.49 93.02 2.18 4.79 70.20 18.93 3.53 2.84 1.81 0.00 0.78 1.91 4 D C C 71.41 4.42 11.62 17.75 114.50 -114.73 -75.70 145.53 98.53 0.31 1.17 94.70 3.57 0.26 1.08 0.09 0.00 0.09 0.21 5 P H H 96.41 2.27 12.92 16.15 91.91 -117.87 -58.47 -36.79 3.85 0.01 96.14 0.67 0.38 2.52 95.61 0.81 0.00 0.00 0.00 6 V H H 81.58 3.86 13.88 18.83 92.25 51.54 -65.53 -40.41 1.95 0.01 98.04 0.23 0.14 1.40 97.29 0.93 0.00 0.00 0.00 7 Q H H 67.12 8.23 13.54 23.21 92.03 49.87 -65.45 -39.80 0.55 0.00 99.45 0.13 0.05 0.29 98.90 0.63 0.00 0.00 0.00 8 K H H 109.55 3.85 16.07 20.92 91.87 51.40 -64.18 -40.97 0.31 0.00 99.69 0.06 0.02 0.16 99.58 0.17 0.00 0.00 0.00 9 L H H 85.87 2.72 17.38 20.04 91.97 50.41 -64.39 -41.89 0.25 0.00 99.75 0.03 0.01 0.16 99.74 0.06 0.00 0.00 0.00 10 F H H 80.42 6.85 16.72 24.85 91.95 49.41 -64.54 -42.28 0.16 0.00 99.84 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 11 V H H 51.95 7.85 16.13 25.56 91.79 49.67 -63.99 -41.94 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 12 D H H 76.56 2.61 19.09 21.29 91.51 50.50 -64.15 -40.74 0.18 0.00 99.82 0.02 0.01 0.12 99.84 0.03 0.00 0.00 0.00 13 K H H 101.63 3.60 18.58 22.46 91.93 50.21 -65.10 -40.74 0.35 0.00 99.65 0.03 0.01 0.24 99.68 0.04 0.00 0.00 0.00 14 I H H 47.55 10.37 15.33 27.08 91.90 50.19 -64.66 -41.91 0.29 0.00 99.71 0.03 0.01 0.20 99.70 0.06 0.00 0.00 0.00 15 R H H 120.92 3.84 18.12 22.57 91.85 51.09 -64.10 -41.18 0.52 0.00 99.48 0.05 0.02 0.37 99.38 0.18 0.00 0.00 0.00 16 E H H 105.34 1.87 18.82 19.53 91.88 49.96 -64.67 -41.21 1.34 0.00 98.66 0.12 0.07 1.03 98.39 0.38 0.00 0.00 0.00 17 Y H H 80.77 7.15 15.33 24.12 92.44 50.23 -65.06 -41.05 2.01 0.01 97.98 0.28 0.17 1.36 97.51 0.67 0.00 0.00 0.00 18 R H H 105.19 7.45 15.14 23.68 92.06 52.03 -65.09 -39.05 4.23 0.03 95.74 0.78 0.42 2.77 94.54 1.46 0.01 0.01 0.01 19 T H H 79.29 2.01 16.41 17.97 92.42 51.42 -66.48 -38.97 10.31 0.10 89.59 1.68 1.18 7.29 86.78 2.95 0.04 0.05 0.04 20 K H H 119.40 2.60 15.03 18.01 93.70 51.74 -69.82 -33.62 19.98 0.35 79.68 4.64 3.27 12.78 74.74 4.17 0.08 0.16 0.17 21 R H H 103.54 7.79 10.96 19.98 95.68 55.84 -72.20 -29.71 33.37 1.50 65.13 16.16 6.00 13.62 58.08 4.63 0.07 0.74 0.68 22 Q H H 123.37 3.13 11.99 16.53 96.39 63.47 -73.03 -26.49 44.72 2.24 53.04 23.48 7.91 15.58 45.98 4.88 0.07 1.13 0.97 23 T C H 109.49 1.29 11.62 13.12 98.95 57.80 -81.74 -15.89 55.34 2.55 42.11 17.85 13.81 25.55 34.33 5.75 0.20 1.17 1.32 24 S C T 81.59 2.23 10.22 13.54 101.75 47.30 -91.69 3.42 79.03 0.93 20.04 15.55 18.04 45.42 14.91 4.98 0.03 0.41 0.66 25 G C T 60.04 1.48 12.05 14.15 101.56 -99.26 84.43 5.03 96.29 0.67 3.04 23.07 31.77 41.69 0.84 1.96 0.00 0.33 0.34 26 G C C 33.72 6.06 11.03 18.70 127.96 121.58 -103.11 173.19 96.52 2.80 0.68 51.36 42.75 2.70 0.17 0.49 0.00 1.34 1.18 27 P C C 87.29 5.07 12.99 19.45 111.55 -66.70 -69.77 143.60 90.90 6.67 2.43 73.71 11.83 4.79 0.68 1.93 0.00 2.99 4.07 28 V C C 90.55 7.13 11.50 19.95 105.82 -145.25 -86.94 90.55 90.47 4.68 4.85 38.48 27.11 25.29 0.95 3.82 0.00 2.34 2.00 29 D C C 98.28 4.12 14.35 19.71 110.35 -106.98 -91.84 106.26 91.29 3.49 5.22 41.71 23.68 26.19 1.11 4.01 0.00 1.75 1.55 30 A C C 52.96 9.19 10.62 20.96 103.54 161.56 -96.16 7.76 93.00 2.41 4.58 67.82 18.60 6.17 1.68 2.81 0.00 0.94 1.98 31 G C C 29.19 4.94 13.78 20.18 124.88 120.24 -91.83 176.11 96.74 0.65 2.61 70.89 24.66 0.81 2.63 0.27 0.00 0.15 0.58 32 P H H 103.27 1.76 13.58 15.55 93.31 -76.65 -62.29 -35.53 8.66 0.04 91.30 1.61 1.30 5.77 88.49 2.78 0.01 0.02 0.02 33 E H H 127.33 1.54 14.58 15.93 92.23 53.85 -65.11 -39.40 4.98 0.02 95.00 0.85 0.50 3.45 92.52 2.65 0.01 0.01 0.01 34 Y H H 71.57 9.15 11.78 22.51 92.67 49.65 -66.40 -40.35 1.78 0.01 98.21 0.55 0.21 0.94 96.16 2.13 0.00 0.01 0.00 35 Q H H 84.04 6.27 14.61 22.27 92.06 51.81 -63.79 -41.27 0.71 0.00 99.29 0.24 0.08 0.32 99.05 0.31 0.00 0.00 0.00 36 Q H H 104.60 1.65 18.07 18.46 92.06 50.12 -64.39 -41.85 0.40 0.00 99.60 0.08 0.03 0.21 99.59 0.09 0.00 0.00 0.00 37 D H H 71.91 3.55 17.31 21.41 92.26 49.40 -65.04 -40.68 0.36 0.00 99.64 0.07 0.02 0.20 99.65 0.06 0.00 0.00 0.00 38 L H H 43.95 11.35 14.06 26.66 92.22 50.45 -64.45 -41.10 0.22 0.00 99.78 0.04 0.01 0.12 99.79 0.04 0.00 0.00 0.00 39 D H H 78.28 3.76 17.75 22.12 91.68 51.28 -63.82 -40.92 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 40 R H H 137.37 1.52 19.07 18.98 92.00 49.92 -64.86 -41.55 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 41 E H H 74.21 6.72 16.80 24.83 92.03 49.83 -64.78 -41.47 0.13 0.00 99.87 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 42 L H H 51.93 10.38 15.07 26.67 92.00 50.29 -64.22 -41.14 0.39 0.00 99.61 0.03 0.02 0.30 99.61 0.05 0.00 0.00 0.00 43 F H H 110.45 2.36 18.42 20.27 91.72 50.43 -64.18 -41.24 0.76 0.00 99.24 0.07 0.04 0.53 99.25 0.11 0.00 0.00 0.00 44 K H H 107.96 2.38 18.13 20.06 91.98 50.19 -64.72 -41.16 0.50 0.00 99.49 0.05 0.03 0.36 99.26 0.30 0.00 0.00 0.00 45 L H H 41.67 9.90 13.10 24.75 91.95 50.57 -64.57 -41.11 0.41 0.00 99.59 0.04 0.03 0.29 99.07 0.57 0.00 0.00 0.00 46 K H H 100.02 6.50 13.88 21.71 91.94 52.27 -64.00 -38.86 0.46 0.00 99.54 0.04 0.03 0.33 99.01 0.59 0.00 0.00 0.00 47 Q H H 132.91 1.04 15.39 15.38 92.74 50.56 -66.87 -37.71 1.15 0.00 98.85 0.06 0.05 1.01 98.12 0.76 0.00 0.00 0.00 48 M H H 115.15 2.91 13.92 17.51 95.69 43.65 -74.84 -36.52 3.23 0.01 96.76 0.07 0.15 3.13 96.14 0.49 0.01 0.00 0.00 49 Y H H 98.98 8.03 9.67 19.06 101.35 32.61 -105.19 -4.29 24.77 0.24 74.99 1.81 4.14 19.48 73.15 1.02 0.13 0.06 0.21 50 G C T 48.39 2.72 12.41 16.46 110.95 -137.17 64.91 -138.06 89.06 0.41 10.53 13.96 10.92 63.82 2.38 8.44 0.00 0.23 0.25 51 K C T 176.83 0.75 12.99 12.80 98.36 -13.67 -87.99 8.08 86.30 0.51 13.19 8.42 21.66 55.35 1.51 12.47 0.00 0.26 0.31 52 A C S 51.72 6.99 8.32 17.14 118.32 113.30 -83.25 150.81 88.43 1.34 10.23 30.55 46.06 10.90 1.15 9.84 0.00 0.61 0.89 53 D C C 94.97 2.89 14.00 17.78 108.44 -116.52 -86.14 115.50 92.34 2.21 5.45 83.75 4.09 4.15 1.00 4.67 0.00 0.97 1.39 54 M C G 85.20 11.80 8.42 20.60 95.95 -169.59 -80.22 -6.78 61.71 1.18 37.11 24.82 7.76 25.28 1.55 39.60 0.00 0.62 0.37 55 N C G 122.86 1.97 13.37 16.06 93.93 71.40 -79.16 -9.37 61.36 0.72 37.92 8.19 9.14 40.24 1.35 40.43 0.00 0.39 0.26 56 T C G 97.08 2.16 12.64 15.64 108.23 67.66 -96.03 54.21 59.94 1.33 38.73 20.98 14.79 21.22 1.51 40.35 0.00 0.67 0.49 57 F C S 103.93 9.63 7.80 18.10 117.68 -133.87 -91.21 141.81 92.07 1.87 6.06 38.27 48.06 5.69 1.02 4.85 0.00 0.73 1.39 58 P C C 79.94 5.59 10.79 17.93 113.68 -94.76 -71.18 147.43 93.93 0.93 5.14 64.47 15.04 13.23 0.59 5.72 0.00 0.54 0.41 59 N C C 130.36 1.38 12.59 14.57 110.05 -129.93 -88.05 123.86 92.11 3.54 4.35 71.76 9.73 9.57 0.55 4.80 0.00 2.30 1.28 60 F C C 108.02 8.57 7.17 16.75 121.67 -165.27 -109.36 141.39 90.27 9.26 0.48 85.82 4.30 0.50 0.14 0.31 0.00 6.47 2.47 61 T C C 109.17 1.40 12.57 14.66 118.45 -157.10 -113.80 133.55 87.46 12.16 0.38 85.86 2.02 0.39 0.12 0.21 0.00 8.21 3.18 62 F C C 109.10 8.46 6.69 16.13 118.18 -156.44 -103.88 135.96 83.21 15.56 1.23 78.74 3.53 0.98 0.46 0.70 0.00 8.22 7.38 63 E C C 153.62 1.10 11.66 12.86 112.53 -142.24 -88.76 143.24 95.75 3.45 0.80 52.50 40.07 3.49 0.17 0.66 0.00 2.23 0.88 64 D C S 123.25 1.41 11.75 13.62 104.52 -9.03 -80.39 88.05 98.08 1.63 0.29 33.56 63.00 1.76 0.04 0.24 0.00 1.02 0.38 65 P C C 70.07 9.40 6.82 17.10 116.07 -140.12 -70.60 145.45 96.81 1.74 1.45 89.34 4.43 3.14 0.26 1.17 0.00 1.22 0.43 66 K C C 161.65 1.23 12.29 13.92 115.12 -145.57 -99.68 129.61 88.93 9.38 1.68 75.70 8.85 4.08 0.44 1.35 0.00 6.08 3.50 67 F C C 131.35 6.35 6.82 14.60 119.47 -160.39 -107.01 137.77 85.53 12.19 2.28 74.14 9.15 2.17 0.76 1.51 0.00 9.51 2.77 68 E C C 144.60 1.58 10.26 12.87 117.35 -151.32 -104.82 135.71 81.28 15.12 3.60 72.16 6.53 2.31 1.16 2.22 0.00 13.72 1.91 69 V C C 110.06 3.49 7.86 13.38 114.70 -130.17 -88.51 129.31 73.70 17.48 8.81 63.25 6.09 4.05 2.71 5.94 0.01 15.16 2.81 70 V C C 107.26 2.92 7.61 12.35 112.57 -164.39 -100.71 130.01 81.52 9.88 8.60 61.03 12.58 7.66 2.07 6.72 0.00 8.10 1.84 71 E C C 153.63 1.19 9.41 11.58 115.26 -116.28 -92.71 133.08 86.18 7.00 6.83 61.40 16.60 8.02 1.41 5.68 0.00 5.06 1.82 72 K C C 143.92 3.18 7.19 12.59 115.76 -135.83 -92.35 132.98 97.25 2.14 0.61 69.14 26.97 1.38 0.20 0.39 0.00 1.25 0.67 73 P C C 99.39 3.01 7.51 12.50 109.88 -112.16 -68.00 145.97 97.29 0.96 1.75 82.56 6.83 7.93 0.41 1.31 0.00 0.63 0.34 74 Q C C 152.84 0.98 7.99 9.86 108.55 -115.96 -83.33 119.88 97.56 0.87 1.57 89.04 1.67 7.15 0.39 0.87 0.00 0.48 0.39 75 S C C 88.03 2.19 9.27 13.09 111.75 -131.71 -90.88 127.56 99.89 0.09 0.02 99.67 0.17 0.08 0.01 0.00 0.00 0.05 0.01