#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0u n HIS 0 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -2.36 115.22 113.21 1y0u n HIS 0 Ca 0.00 -0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.00 1y0u n HIS 0 Cb 0.00 -0.21 0.00 0.00 -0.12 0.00 0.00 29.99 29.66 1y0u n HIS 0 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1y0u n SER 2 N 1.30 0.00 -0.11 0.26 7.64 -1.26 -1.12 113.62 120.32 1y0u n SER 2 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1y0u n SER 2 Cb 0.13 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.35 1y0u n SER 2 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1y0u h LEU 3 N 0.00 0.14 -0.78 -3.43 5.85 -1.91 -2.12 115.31 113.06 1y0u h LEU 3 Ca 0.00 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1y0u h LEU 3 Cb 0.00 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1y0u h LEU 3 CO 0.00 0.12 0.39 -0.33 -0.34 0.00 0.00 178.44 178.27 1y0u h GLU 4 N 0.29 1.11 -0.60 1.25 4.39 -1.42 0.02 114.58 119.61 1y0u h GLU 4 Ca 0.17 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 59.75 1y0u h GLU 4 Cb 0.15 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1y0u h GLU 4 CO -0.18 0.85 0.37 1.49 -1.16 0.00 0.00 179.01 180.38 1y0u h GLU 5 N 1.09 0.71 -0.50 2.33 4.81 -1.76 -1.18 114.58 120.08 1y0u h GLU 5 Ca 0.27 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1y0u h GLU 5 Cb 0.10 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1y0u h GLU 5 CO -0.04 0.47 -0.08 2.35 -0.73 0.00 0.00 179.01 180.98 1y0u h TRP 6 N 0.73 1.04 -0.72 0.92 7.01 -0.77 -2.10 115.95 122.08 1y0u h TRP 6 Ca 0.24 -0.21 0.02 0.00 2.11 0.00 0.00 58.89 61.05 1y0u h TRP 6 Cb 0.01 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 26.77 1y0u h TRP 6 CO -0.05 0.99 0.47 0.82 -2.79 0.00 0.00 178.44 177.87 1y0u h ILE 7 N 0.80 1.15 -0.65 2.65 2.04 -0.69 0.14 117.51 122.93 1y0u h ILE 7 Ca 0.13 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 1y0u h ILE 7 Cb 0.63 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1y0u h ILE 7 CO 0.04 0.17 0.20 0.50 0.00 0.00 0.00 178.15 179.06 1y0u h LYS 8 N 0.93 1.02 -0.59 2.37 1.63 -1.09 -0.09 116.57 120.76 1y0u h LYS 8 Ca 0.27 -0.22 -0.04 0.00 -0.85 0.00 0.00 60.65 59.81 1y0u h LYS 8 Cb -0.05 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.41 1y0u h LYS 8 CO -0.08 0.90 0.19 0.00 -3.45 0.00 0.00 179.45 177.01 1y0u h ALA 9 N 1.08 0.77 -0.70 5.00 0.00 -0.78 -1.96 119.26 122.66 1y0u h ALA 9 Ca 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1y0u h ALA 9 Cb 0.31 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1y0u h ALA 9 CO -0.01 0.43 0.46 0.22 0.00 0.00 0.00 179.25 180.35 1y0u h ASP 10 N 0.83 0.78 -0.89 0.00 3.58 -0.42 -1.43 116.42 118.87 1y0u h ASP 10 Ca 0.19 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 1y0u h ASP 10 Cb 0.27 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 1y0u h ASP 10 CO -0.01 0.56 0.49 0.77 -2.88 0.00 0.00 179.24 178.17 1y0u h SER 11 N 0.93 1.11 -0.20 2.28 4.64 -0.74 -0.20 113.55 121.36 1y0u h SER 11 Ca 0.26 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.35 1y0u h SER 11 Cb -0.08 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.72 1y0u h SER 11 CO -0.07 0.89 -0.32 -0.07 -0.87 0.00 0.00 176.83 176.39 1y0u h LEU 12 N 1.24 0.74 -0.09 5.97 3.38 -1.13 -0.56 115.31 124.87 1y0u h LEU 12 Ca 0.31 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1y0u h LEU 12 Cb 0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1y0u h LEU 12 CO -0.05 1.01 0.05 -0.08 0.09 0.00 0.00 178.44 179.45 1y0u h GLU 13 N 0.60 0.13 -0.32 1.13 4.81 -0.67 -1.20 114.58 119.06 1y0u h GLU 13 Ca 0.07 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1y0u h GLU 13 Cb 0.84 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 1y0u h GLU 13 CO 0.07 0.18 -0.06 0.87 -0.73 0.00 0.00 179.01 179.35 1y0u h LYS 14 N 0.04 0.52 -0.34 1.92 6.56 -0.94 -1.95 116.57 122.38 1y0u h LYS 14 Ca 0.03 -0.13 -0.04 0.00 -1.06 0.00 0.00 60.65 59.46 1y0u h LYS 14 Cb 0.10 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.68 1y0u h LYS 14 CO -0.00 0.59 0.08 0.00 -2.06 0.00 0.00 179.45 178.05 1y0u h ALA 15 N 1.45 0.45 -0.79 3.86 0.00 -0.93 -1.52 119.26 121.77 1y0u h ALA 15 Ca 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1y0u h ALA 15 Cb 0.41 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1y0u h ALA 15 CO 0.02 0.13 0.49 -0.44 0.00 0.00 0.00 179.25 179.45 1y0u h ASP 16 N 0.40 0.94 -0.52 0.00 3.32 -0.74 -0.10 116.42 119.72 1y0u h ASP 16 Ca 0.11 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1y0u h ASP 16 Cb 0.31 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1y0u h ASP 16 CO 0.00 0.71 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.11 1y0u h GLU 17 N 1.09 0.94 -0.51 3.56 4.57 -1.10 -0.28 114.58 122.84 1y0u h GLU 17 Ca 0.29 -0.32 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1y0u h GLU 17 Cb -0.07 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 1y0u h GLU 17 CO -0.06 0.98 0.33 1.88 -1.18 0.00 0.00 179.01 180.96 1y0u h TYR 18 N 0.81 0.62 -0.81 0.92 -1.99 -0.74 -2.25 116.97 113.52 1y0u h TYR 18 Ca 0.14 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.92 1y0u h TYR 18 Cb 0.58 -0.20 -0.05 0.00 2.00 0.00 0.00 36.73 39.06 1y0u h TYR 18 CO 0.04 0.37 0.52 0.45 -0.00 0.00 0.00 178.16 179.55 1y0u h HIS 19 N 0.66 0.98 -0.46 4.88 3.86 -0.69 -0.67 115.15 123.71 1y0u h HIS 19 Ca 0.20 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.47 1y0u h HIS 19 Cb -0.04 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.07 1y0u h HIS 19 CO -0.05 0.57 0.23 1.57 0.86 0.00 0.00 177.93 181.10 1y0u h LYS 20 N 1.02 0.44 -0.21 2.45 5.09 -0.60 0.19 116.57 124.95 1y0u h LYS 20 Ca 0.32 -0.03 -0.12 0.00 0.09 0.00 0.00 60.65 60.92 1y0u h LYS 20 Cb -0.00 -0.10 -0.00 0.00 0.10 0.00 0.00 32.23 32.23 1y0u h LYS 20 CO -0.11 0.29 -0.33 0.00 -2.09 0.00 0.00 179.45 177.21 1y0u h ARG 21 N 0.45 0.59 -0.20 0.07 3.08 -1.05 -1.58 114.38 115.74 1y0u h ARG 21 Ca 0.20 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1y0u h ARG 21 Cb 0.12 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1y0u h ARG 21 CO -0.15 0.97 0.08 -0.92 -1.07 0.00 0.00 179.97 178.88 1y0u h TYR 22 N 0.27 0.31 -0.82 3.04 3.20 -1.00 -1.96 116.97 120.02 1y0u h TYR 22 Ca 0.02 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1y0u h TYR 22 Cb 0.92 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 1y0u h TYR 22 CO 0.09 0.35 0.48 -0.91 -1.64 0.00 0.00 178.16 176.53 1y0u h ASN 23 N 0.18 0.98 -0.48 -2.11 2.35 -0.55 -1.10 115.58 114.85 1y0u h ASN 23 Ca 0.07 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1y0u h ASN 23 Cb 0.17 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1y0u h ASN 23 CO -0.01 0.77 0.12 0.22 -1.65 0.00 0.00 177.43 176.88 1y0u h TYR 24 N 1.13 0.80 -0.63 1.19 3.20 -1.19 -2.71 116.97 118.76 1y0u h TYR 24 Ca 0.29 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1y0u h TYR 24 Cb -0.03 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 1y0u h TYR 24 CO 0.01 0.72 0.39 0.00 -1.64 0.00 0.00 178.16 177.63 1y0u h ALA 25 N 0.99 0.81 -0.00 1.82 0.00 -0.45 -3.10 119.26 119.32 1y0u h ALA 25 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1y0u h ALA 25 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1y0u h ALA 25 CO 0.00 0.28 -0.46 1.33 0.00 0.00 0.00 179.25 180.40 1y0u n VAL 26 N -4.60 0.00 -1.71 0.00 0.24 -0.53 -4.26 118.33 107.47 1y0u n VAL 26 Ca 0.05 -0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.99 1y0u n VAL 26 Cb 0.05 0.21 0.01 0.00 -1.47 0.00 0.00 33.84 32.64 1y0u n VAL 26 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1y0u n THR 27 N -1.47 3.49 -3.68 3.34 -2.24 -1.03 -4.73 114.28 107.97 1y0u n THR 27 Ca 0.06 -3.71 -0.13 0.00 -2.27 0.00 0.00 64.05 58.00 1y0u n THR 27 Cb 0.34 -1.34 -0.13 0.00 -2.10 0.00 0.00 70.33 67.09 1y0u n THR 27 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1y0u s ASN 28 N -0.67 0.16 0.43 3.42 3.84 -1.26 -5.04 114.94 115.82 1y0u s ASN 28 Ca 0.54 0.62 0.21 0.00 0.21 0.00 0.00 52.86 54.44 1y0u s ASN 28 Cb 0.42 0.68 0.97 0.00 -0.55 0.00 0.00 41.25 42.78 1y0u s ASN 28 CO -0.31 -0.22 1.88 1.55 -2.79 0.00 0.00 177.10 177.20 1y0u h PRO 29 N 8.02 0.00 -0.31 0.43 0.13 -1.95 -0.82 132.00 137.50 1y0u h PRO 29 Ca -0.20 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.87 1y0u h PRO 29 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1y0u h PRO 29 CO 0.19 0.27 -0.03 0.28 -0.23 0.00 0.00 178.00 178.48 1y0u h VAL 30 N 0.00 1.27 -0.72 1.56 2.07 -1.97 -1.44 116.25 117.01 1y0u h VAL 30 Ca -0.00 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1y0u h VAL 30 Cb 0.63 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1y0u h VAL 30 CO 0.04 0.33 0.39 0.03 0.02 0.00 0.00 177.57 178.37 1y0u h ARG 31 N 0.35 1.01 -0.77 1.57 3.08 -1.73 -0.31 114.38 117.57 1y0u h ARG 31 Ca 0.08 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1y0u h ARG 31 Cb 0.49 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1y0u h ARG 31 CO 0.02 0.75 0.45 0.00 -1.07 0.00 0.00 179.97 180.12 1y0u h ARG 32 N 1.01 1.05 -0.45 0.04 3.08 -0.96 -0.71 114.38 117.44 1y0u h ARG 32 Ca 0.25 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1y0u h ARG 32 Cb 0.04 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1y0u h ARG 32 CO -0.04 0.75 0.19 0.87 -1.07 0.00 0.00 179.97 180.68 1y0u h LYS 33 N 1.05 0.66 -0.32 0.04 1.57 -0.75 -1.86 116.57 116.96 1y0u h LYS 33 Ca 0.27 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.99 1y0u h LYS 33 Cb -0.02 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 1y0u h LYS 33 CO -0.05 0.59 0.04 0.82 -0.57 0.00 0.00 179.45 180.28 1y0u h ILE 34 N 0.58 0.82 -0.48 1.86 2.04 -0.68 -2.46 117.51 119.19 1y0u h ILE 34 Ca 0.15 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 66.01 1y0u h ILE 34 Cb 0.17 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 1y0u h ILE 34 CO -0.01 0.03 0.22 -0.07 0.00 0.00 0.00 178.15 178.31 1y0u h LEU 35 N 0.15 0.30 -1.22 1.44 3.38 -0.96 0.22 115.31 118.61 1y0u h LEU 35 Ca 0.15 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1y0u h LEU 35 Cb 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1y0u h LEU 35 CO -0.22 0.21 0.00 0.54 0.09 0.00 0.00 178.44 179.06 1y0u n ARG 36 N -4.93 0.11 0.00 1.13 1.74 -0.71 -1.38 116.66 112.62 1y0u n ARG 36 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1y0u n ARG 36 Cb 0.15 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1y0u n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1y0u n LEU 38 N 0.56 0.00 0.27 0.55 4.77 0.07 -2.27 117.00 120.94 1y0u n LEU 38 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1y0u n LEU 38 Cb 0.03 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 41.84 1y0u n LEU 38 CO 0.00 0.00 1.07 -0.78 -1.33 0.00 0.00 177.39 176.35 1y0u h ASP 39 N 0.00 0.00 -0.18 -1.43 3.58 -1.47 -0.38 116.42 116.53 1y0u h ASP 39 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1y0u h ASP 39 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1y0u h ASP 39 CO 0.00 0.02 0.00 0.29 -2.88 0.00 0.00 179.24 176.67 1y0u n LYS 40 N -4.29 1.90 -0.80 0.28 5.02 -0.96 -4.94 118.16 114.37 1y0u n LYS 40 Ca -0.03 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.91 1y0u n LYS 40 Cb 0.10 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1y0u n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y0u n GLY 41 N 1.22 0.53 3.77 0.72 0.00 -0.15 -5.04 105.19 106.24 1y0u n GLY 41 Ca 0.17 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1y0u n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y0u s ARG 42 N -1.26 3.86 0.67 1.61 1.81 -1.26 -5.02 118.95 119.37 1y0u s ARG 42 Ca 0.00 1.74 -0.11 0.00 -1.72 0.00 0.00 55.73 55.64 1y0u s ARG 42 Cb 0.00 -2.46 -0.01 0.00 -0.45 0.00 0.00 34.95 32.03 1y0u s ARG 42 CO 0.00 -0.45 1.05 -1.54 -0.68 0.00 0.00 175.30 173.68 1y0u s SER 43 N -1.36 5.63 0.35 0.23 1.04 -1.26 -4.60 113.70 113.73 1y0u s SER 43 Ca 0.62 1.57 0.05 0.00 0.48 0.00 0.00 55.95 58.67 1y0u s SER 43 Cb -0.28 -2.49 0.71 0.00 0.10 0.00 0.00 66.02 64.07 1y0u s SER 43 CO 0.34 -1.27 1.94 -0.33 0.98 0.00 0.00 173.24 174.90 1y0u h GLU 44 N -0.55 0.77 -0.50 4.02 5.08 -1.99 -1.14 114.58 120.27 1y0u h GLU 44 Ca -0.44 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1y0u h GLU 44 Cb 1.20 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1y0u h GLU 44 CO 0.58 0.51 0.27 1.49 -1.00 0.00 0.00 179.01 180.86 1y0u h GLU 45 N 0.79 0.70 -0.55 2.33 4.81 -2.02 -2.57 114.58 118.08 1y0u h GLU 45 Ca 0.34 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1y0u h GLU 45 Cb 0.29 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1y0u h GLU 45 CO -0.12 0.55 0.06 0.93 -0.73 0.00 0.00 179.01 179.71 1y0u h GLU 46 N 0.66 0.89 -1.04 1.92 5.08 -1.77 -1.59 114.58 118.73 1y0u h GLU 46 Ca 0.17 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1y0u h GLU 46 Cb 0.06 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1y0u h GLU 46 CO -0.03 0.85 0.00 -0.89 -1.00 0.00 0.00 179.01 177.94 1y0u n ILE 47 N -4.23 0.15 0.00 3.13 5.41 -0.49 -0.67 119.36 122.66 1y0u n ILE 47 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1y0u n ILE 47 Cb 0.28 -0.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.80 1y0u n ILE 47 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1y0u n GLN 49 N 0.62 0.00 -0.14 0.38 -0.06 -0.60 -1.03 117.38 116.55 1y0u n GLN 49 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 1y0u n GLN 49 Cb 0.11 0.00 0.05 0.00 -4.06 0.00 0.00 30.24 26.34 1y0u n GLN 49 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 1y0u h THR 50 N 0.00 1.27 -0.34 1.69 2.02 -1.15 -3.08 112.91 113.31 1y0u h THR 50 Ca 0.00 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.90 1y0u h THR 50 Cb 0.00 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1y0u h THR 50 CO 0.00 0.44 0.00 0.18 0.37 0.00 0.00 175.52 176.51 1y0u n LEU 51 N -4.14 3.13 -3.69 2.58 4.77 -0.20 -4.98 117.00 114.47 1y0u n LEU 51 Ca 0.01 -1.34 -0.24 0.00 -0.03 0.00 0.00 56.01 54.41 1y0u n LEU 51 Cb 0.41 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1y0u n LEU 51 CO 0.45 0.67 -0.09 -1.20 -1.33 0.00 0.00 177.39 175.89 1y0u n SER 52 N 1.28 -2.68 -4.43 -1.43 7.64 -1.17 -5.00 113.62 107.83 1y0u n SER 52 Ca 0.19 -0.89 -0.32 0.00 1.01 0.00 0.00 58.87 58.86 1y0u n SER 52 Cb 0.56 -3.83 -0.14 0.00 -1.01 0.00 0.00 64.21 59.79 1y0u n SER 52 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1y0u s LEU 53 N -6.54 2.53 0.85 -3.43 1.43 -1.26 -5.05 118.68 107.21 1y0u s LEU 53 Ca 0.17 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 1y0u s LEU 53 Cb -0.05 -1.49 0.10 0.00 0.03 0.00 0.00 46.19 44.77 1y0u s LEU 53 CO 0.83 0.33 1.09 -0.94 0.23 0.00 0.00 176.35 177.89 1y0u s SER 54 N -0.81 3.95 0.28 2.29 1.04 -1.26 -4.65 113.70 114.54 1y0u s SER 54 Ca 0.12 1.48 -0.03 0.00 0.48 0.00 0.00 55.95 58.00 1y0u s SER 54 Cb -0.10 -2.19 0.38 0.00 0.10 0.00 0.00 66.02 64.21 1y0u s SER 54 CO 0.01 -2.34 1.89 0.50 0.98 0.00 0.00 173.24 174.28 1y0u h LYS 55 N -1.34 1.02 -0.40 4.02 3.64 -1.99 -0.08 116.57 121.44 1y0u h LYS 55 Ca -0.48 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 58.79 1y0u h LYS 55 Cb 1.27 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1y0u h LYS 55 CO 0.56 0.77 0.24 -0.22 -2.27 0.00 0.00 179.45 178.52 1y0u h LYS 56 N 1.02 0.47 -0.39 1.90 3.64 -1.99 0.21 116.57 121.43 1y0u h LYS 56 Ca 0.25 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1y0u h LYS 56 Cb 0.08 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1y0u h LYS 56 CO -0.04 0.31 -0.09 1.96 -2.27 0.00 0.00 179.45 179.33 1y0u h GLN 57 N 0.48 0.75 -0.40 1.90 4.20 -1.85 -1.71 115.11 118.48 1y0u h GLN 57 Ca 0.16 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1y0u h GLN 57 Cb -0.00 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1y0u h GLN 57 CO -0.07 0.88 0.10 1.25 -0.67 0.00 0.00 178.83 180.33 1y0u h LEU 58 N 0.56 0.60 -1.17 1.46 5.85 -0.80 -1.78 115.31 120.03 1y0u h LEU 58 Ca 0.10 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.64 1y0u h LEU 58 Cb 0.60 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 1y0u h LEU 58 CO 0.04 0.67 0.57 0.44 -0.34 0.00 0.00 178.44 179.82 1y0u h ASP 59 N 0.50 0.92 -0.26 1.25 3.32 -0.52 0.65 116.42 122.28 1y0u h ASP 59 Ca 0.13 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1y0u h ASP 59 Cb 0.30 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1y0u h ASP 59 CO 0.00 0.62 0.00 0.22 -1.72 0.00 0.00 179.24 178.36 1y0u h TYR 60 N 1.06 0.51 -0.76 4.55 3.20 -0.94 0.24 116.97 124.84 1y0u h TYR 60 Ca 0.36 -0.09 0.06 0.00 3.14 0.00 0.00 58.73 62.20 1y0u h TYR 60 Cb 0.08 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 1y0u h TYR 60 CO -0.00 0.62 0.45 0.45 -1.64 0.00 0.00 178.16 178.04 1y0u h HIS 61 N 0.25 0.83 -0.63 -3.82 3.86 -0.74 -1.61 115.15 113.29 1y0u h HIS 61 Ca 0.08 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 1y0u h HIS 61 Cb 0.41 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 1y0u h HIS 61 CO 0.03 0.41 0.11 -0.07 0.86 0.00 0.00 177.93 179.28 1y0u h LEU 62 N 0.82 0.96 -0.43 2.43 3.38 -0.52 0.09 115.31 122.04 1y0u h LEU 62 Ca 0.33 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1y0u h LEU 62 Cb 0.17 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1y0u h LEU 62 CO -0.17 0.95 0.14 0.50 0.09 0.00 0.00 178.44 179.94 1y0u h LYS 63 N 0.95 0.29 -0.46 1.13 3.64 -0.52 0.40 116.57 122.00 1y0u h LYS 63 Ca 0.19 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1y0u h LYS 63 Cb 0.39 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1y0u h LYS 63 CO 0.01 0.19 0.14 0.28 -2.27 0.00 0.00 179.45 177.80 1y0u h VAL 64 N 0.30 1.23 -0.65 2.00 2.07 -0.61 -0.06 116.25 120.53 1y0u h VAL 64 Ca 0.20 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 1y0u h VAL 64 Cb 0.21 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1y0u h VAL 64 CO -0.22 0.28 0.14 -0.07 0.02 0.00 0.00 177.57 177.71 1y0u h LEU 65 N 0.62 0.98 -0.38 2.57 3.38 -0.73 -1.18 115.31 120.57 1y0u h LEU 65 Ca 0.15 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1y0u h LEU 65 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1y0u h LEU 65 CO -0.00 0.96 0.06 -0.08 0.09 0.00 0.00 178.44 179.47 1y0u h GLU 66 N 0.98 0.63 0.00 1.13 4.81 -0.70 -0.51 114.58 120.92 1y0u h GLU 66 Ca 0.20 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1y0u h GLU 66 Cb 0.37 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1y0u h GLU 66 CO 0.00 0.68 -0.10 0.00 -0.73 0.00 0.00 179.01 178.87 1y0u h ALA 67 N 0.92 1.45 -0.60 2.92 0.00 -0.62 -2.30 119.26 121.02 1y0u h ALA 67 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1y0u h ALA 67 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1y0u h ALA 67 CO 0.01 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1y0u n GLY 68 N -0.94 2.91 2.43 0.00 0.00 -0.48 -4.70 105.19 104.41 1y0u n GLY 68 Ca -0.02 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 1y0u n GLY 68 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1y0u n PHE 69 N 0.87 0.00 0.06 1.61 3.72 -0.87 -4.11 117.46 118.74 1y0u n PHE 69 Ca 0.26 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.70 1y0u n PHE 69 Cb 1.00 -2.43 -0.05 0.00 -0.94 0.00 0.00 39.48 37.05 1y0u n PHE 69 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1y0u s ILE 71 N -3.09 0.23 0.03 0.00 -4.36 -1.21 -1.27 121.20 111.54 1y0u s ILE 71 Ca -0.02 -1.16 0.02 0.00 -0.26 0.00 0.00 60.65 59.23 1y0u s ILE 71 Cb 0.09 -0.63 -0.02 0.00 1.25 0.00 0.00 42.46 43.15 1y0u s ILE 71 CO 0.80 -0.60 -0.07 -1.61 0.24 0.00 0.00 174.94 173.71 1y0u s GLU 72 N -2.08 0.51 -0.02 0.37 2.02 -0.15 -4.39 118.70 114.97 1y0u s GLU 72 Ca -0.09 -0.56 -0.30 0.00 0.02 0.00 0.00 54.97 54.04 1y0u s GLU 72 Cb -0.06 -0.37 -0.03 0.00 0.10 0.00 0.00 34.13 33.78 1y0u s GLU 72 CO -0.03 0.08 1.00 0.50 0.02 0.00 0.00 175.26 176.84 1y0u s ARG 73 N -1.04 4.52 -0.26 1.61 6.06 -1.26 -0.41 118.95 128.17 1y0u s ARG 73 Ca -0.05 1.44 0.01 0.00 -2.50 0.00 0.00 55.73 54.62 1y0u s ARG 73 Cb -0.07 -3.47 0.07 0.00 0.06 0.00 0.00 34.95 31.54 1y0u s ARG 73 CO 0.00 -0.12 -0.02 0.08 -2.50 0.00 0.00 175.30 172.74 1y0u s VAL 74 N 1.24 1.54 0.00 7.11 1.01 0.70 -4.95 120.40 127.05 1y0u s VAL 74 Ca 0.52 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1y0u s VAL 74 Cb -0.21 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1y0u s VAL 74 CO 0.26 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1y0u n GLY 75 N 4.64 4.12 0.12 4.51 0.00 -1.26 -1.65 105.19 115.67 1y0u n GLY 75 Ca -0.08 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1y0u n GLY 75 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1y0u n GLU 76 N 14.00 0.59 -4.52 1.61 0.00 -1.26 -4.92 120.64 126.14 1y0u n GLU 76 Ca 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 57.16 56.57 1y0u n GLU 76 Cb 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 31.44 29.83 1y0u n GLU 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1y0u s ARG 77 N -2.58 3.04 -0.22 3.44 3.52 -0.66 -5.09 118.95 120.41 1y0u s ARG 77 Ca 0.25 -0.51 -0.24 0.00 -0.13 0.00 0.00 55.73 55.09 1y0u s ARG 77 Cb 0.19 -2.72 -0.01 0.00 -1.56 0.00 0.00 34.95 30.86 1y0u s ARG 77 CO 0.51 0.56 0.81 -1.58 -0.81 0.00 0.00 175.30 174.79 1y0u s TRP 78 N -0.51 3.34 -0.13 5.12 0.52 -1.26 -0.21 118.94 125.81 1y0u s TRP 78 Ca 0.08 1.14 -0.03 0.00 0.02 0.00 0.00 56.10 57.31 1y0u s TRP 78 Cb -0.12 -3.02 -0.03 0.00 -1.15 0.00 0.00 33.47 29.16 1y0u s TRP 78 CO 0.02 -0.34 -0.03 0.08 0.02 0.00 0.00 176.95 176.70 1y0u s VAL 79 N 2.58 3.95 -0.03 4.03 1.01 0.45 -4.93 120.40 127.46 1y0u s VAL 79 Ca 0.35 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1y0u s VAL 79 Cb -0.16 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1y0u s VAL 79 CO 0.09 0.53 1.09 -0.69 0.00 0.00 0.00 175.10 176.12 1y0u s VAL 80 N -0.06 4.51 0.80 2.92 1.01 -1.26 -0.97 120.40 127.34 1y0u s VAL 80 Ca 0.02 1.80 -0.12 0.00 0.00 0.00 0.00 61.98 63.68 1y0u s VAL 80 Cb -0.13 -4.16 0.07 0.00 0.00 0.00 0.00 36.38 32.17 1y0u s VAL 80 CO 0.02 0.06 1.16 0.42 0.00 0.00 0.00 175.10 176.77 1y0u s THR 81 N 1.64 2.13 0.46 3.92 -4.23 -0.40 -4.91 115.64 114.25 1y0u s THR 81 Ca 0.53 0.02 0.12 0.00 -1.18 0.00 0.00 61.69 61.18 1y0u s THR 81 Cb -0.23 -3.04 0.25 0.00 1.34 0.00 0.00 72.50 70.83 1y0u s THR 81 CO 0.24 -0.05 2.09 0.44 -0.54 0.00 0.00 174.62 176.79 1y0u h ASP 82 N -1.00 0.20 -0.15 3.99 3.32 -1.89 0.06 116.42 120.95 1y0u h ASP 82 Ca -0.46 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.53 1y0u h ASP 82 Cb 1.32 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 1y0u h ASP 82 CO 0.66 0.18 -0.04 0.00 -1.72 0.00 0.00 179.24 178.31 1y0u h ALA 83 N 1.86 1.42 -0.02 3.45 0.00 -1.89 -2.76 119.26 121.32 1y0u h ALA 83 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1y0u h ALA 83 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1y0u h ALA 83 CO -0.01 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1y0u n GLY 84 N -0.89 -0.36 3.42 0.00 0.00 -0.03 -4.70 105.19 102.63 1y0u n GLY 84 Ca 0.01 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 1y0u n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y0u s LYS 85 N -1.98 3.09 0.00 1.61 1.02 -0.94 -4.85 119.74 117.69 1y0u s LYS 85 Ca 0.40 -1.06 0.09 0.00 0.02 0.00 0.00 55.97 55.43 1y0u s LYS 85 Cb 0.21 -4.19 0.07 0.00 -0.52 0.00 0.00 37.83 33.40 1y0u s LYS 85 CO 0.33 -1.46 0.80 -0.89 -0.92 0.00 0.00 175.35 173.21