#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6f s HIS 3 N 0.00 3.14 0.16 0.00 4.02 -1.26 -4.96 115.29 116.39 1a6f s HIS 3 Ca 0.00 -0.06 -0.30 0.00 1.02 0.00 0.00 55.06 55.72 1a6f s HIS 3 Cb 0.00 -1.46 -0.07 0.00 -1.02 0.00 0.00 32.58 30.02 1a6f s HIS 3 CO 0.00 0.52 1.13 -1.17 1.02 0.00 0.00 174.74 176.24 1a6f s LEU 4 N -3.47 4.46 0.50 0.89 2.96 -1.26 -4.99 118.68 117.76 1a6f s LEU 4 Ca 0.32 2.10 -0.22 0.00 -0.22 0.00 0.00 54.13 56.11 1a6f s LEU 4 Cb -0.09 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.94 1a6f s LEU 4 CO 0.24 -0.29 1.22 -0.54 -1.32 0.00 0.00 176.35 175.66 1a6f s LYS 5 N -0.08 3.48 0.19 1.98 -0.14 -1.26 -4.93 119.74 118.97 1a6f s LYS 5 Ca 0.52 1.90 -0.16 0.00 -1.36 0.00 0.00 55.97 56.86 1a6f s LYS 5 Cb -0.30 -2.29 0.17 0.00 -1.68 0.00 0.00 37.83 33.73 1a6f s LYS 5 CO 0.34 -0.82 1.63 0.87 -0.76 0.00 0.00 175.35 176.62 1a6f h LYS 6 N 1.71 -0.04 0.00 1.68 6.56 -1.96 0.16 116.57 124.67 1a6f h LYS 6 Ca -0.50 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 1a6f h LYS 6 Cb 1.27 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 1a6f h LYS 6 CO 0.59 -0.03 0.10 0.07 -2.06 0.00 0.00 179.45 178.12 1a6f h ARG 7 N -0.05 0.00 -0.64 3.15 0.11 -1.96 0.87 114.38 115.86 1a6f h ARG 7 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 1a6f h ARG 7 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 1a6f h ARG 7 CO -0.57 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.59 1a6f n ASN 8 N -2.88 4.09 -4.21 0.08 4.13 0.56 -4.81 115.26 112.21 1a6f n ASN 8 Ca -0.02 -2.42 -0.33 0.00 1.68 0.00 0.00 54.58 53.49 1a6f n ASN 8 Cb 0.16 -0.54 -0.16 0.00 -1.54 0.00 0.00 39.78 37.70 1a6f n ASN 8 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1a6f s ARG 9 N -1.89 3.09 -0.54 3.52 0.52 0.30 -1.25 118.95 122.70 1a6f s ARG 9 Ca 0.42 -0.82 -0.28 0.00 -0.52 0.00 0.00 55.73 54.52 1a6f s ARG 9 Cb 0.28 -2.47 0.02 0.00 0.52 0.00 0.00 34.95 33.30 1a6f s ARG 9 CO 0.19 0.04 1.27 -0.51 0.02 0.00 0.00 175.30 176.31 1a6f s LEU 10 N 0.71 3.48 0.00 2.53 1.43 0.12 -4.81 118.68 122.14 1a6f s LEU 10 Ca -0.09 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1a6f s LEU 10 Cb -0.16 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.81 1a6f s LEU 10 CO 0.01 -1.50 0.00 1.17 0.23 0.00 0.00 176.35 176.26 1a6f n LYS 11 N 8.36 0.00 -2.66 1.70 4.81 -1.26 -4.52 118.16 124.59 1a6f n LYS 11 Ca 0.11 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.20 1a6f n LYS 11 Cb 0.49 -0.33 -0.05 0.00 0.02 0.00 0.00 35.03 35.16 1a6f n LYS 11 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1a6f s LYS 12 N 0.00 4.23 0.41 1.64 -0.14 -1.26 -4.95 119.74 119.67 1a6f s LYS 12 Ca 0.00 1.36 0.27 0.00 -1.36 0.00 0.00 55.97 56.24 1a6f s LYS 12 Cb 0.00 -2.46 1.41 0.00 -1.68 0.00 0.00 37.83 35.10 1a6f s LYS 12 CO 0.00 -0.05 1.59 -0.97 -0.76 0.00 0.00 175.35 175.15 1a6f h ASN 13 N 2.41 0.27 -0.42 2.83 -0.00 -2.00 -0.75 115.58 117.92 1a6f h ASN 13 Ca -0.48 0.20 0.07 0.00 -0.00 0.00 0.00 56.30 56.09 1a6f h ASN 13 Cb 1.20 0.20 -0.06 0.00 -0.00 0.00 0.00 38.32 39.67 1a6f h ASN 13 CO 0.62 -0.32 0.06 -0.08 -0.00 0.00 0.00 177.43 177.71 1a6f h GLU 14 N 0.03 0.17 -0.89 6.67 4.81 -1.99 -0.02 114.58 123.35 1a6f h GLU 14 Ca 0.86 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 60.13 1a6f h GLU 14 Cb 2.51 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 31.80 1a6f h GLU 14 CO -0.60 0.11 0.58 -0.44 -0.73 0.00 0.00 179.01 177.94 1a6f h ASP 15 N 0.18 0.91 0.45 1.04 3.32 -1.51 -1.84 116.42 118.97 1a6f h ASP 15 Ca 0.20 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1a6f h ASP 15 Cb 0.26 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1a6f h ASP 15 CO -0.29 0.60 -0.22 -0.26 -1.72 0.00 0.00 179.24 177.36 1a6f h PHE 16 N 1.04 -0.56 -0.93 4.55 -1.00 -1.32 -2.76 116.94 115.97 1a6f h PHE 16 Ca 0.37 -0.01 0.21 0.00 2.81 0.00 0.00 57.97 61.35 1a6f h PHE 16 Cb 0.14 0.18 -0.07 0.00 3.61 0.00 0.00 35.95 39.81 1a6f h PHE 16 CO -0.00 -0.25 0.61 1.96 -1.61 0.00 0.00 178.31 179.02 1a6f h GLN 17 N -0.85 0.43 -0.16 1.51 1.08 -0.77 0.25 115.11 116.60 1a6f h GLN 17 Ca -0.06 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1a6f h GLN 17 Cb 0.56 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1a6f h GLN 17 CO 0.10 0.28 0.07 0.87 -0.95 0.00 0.00 178.83 179.20 1a6f h LYS 18 N 0.44 0.23 -0.23 1.46 1.57 -1.23 -1.90 116.57 116.91 1a6f h LYS 18 Ca 0.49 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.21 1a6f h LYS 18 Cb 1.18 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1a6f h LYS 18 CO -0.21 0.31 0.08 0.28 -0.57 0.00 0.00 179.45 179.34 1a6f h VAL 19 N 0.11 1.18 0.35 0.50 2.07 -0.34 -1.19 116.25 118.92 1a6f h VAL 19 Ca 0.05 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1a6f h VAL 19 Cb 0.16 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1a6f h VAL 19 CO -0.00 0.19 -0.44 -0.26 0.02 0.00 0.00 177.57 177.07 1a6f h PHE 20 N 0.21 -1.22 -0.49 1.57 0.04 -0.77 1.38 116.94 117.66 1a6f h PHE 20 Ca 0.07 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1a6f h PHE 20 Cb 0.22 0.49 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 1a6f h PHE 20 CO -0.00 -0.58 0.23 0.87 -0.60 0.00 0.00 178.31 178.23 1a6f h LYS 21 N -0.83 0.70 0.00 1.51 1.57 -1.35 -3.36 116.57 114.81 1a6f h LYS 21 Ca -0.03 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1a6f h LYS 21 Cb 0.76 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1a6f h LYS 21 CO -0.12 0.59 -0.69 0.72 -0.57 0.00 0.00 179.45 179.39 1a6f n HIS 22 N -4.62 0.00 -1.30 -1.35 8.25 -0.45 -5.04 115.22 110.70 1a6f n HIS 22 Ca 0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.17 1a6f n HIS 22 Cb 0.12 -0.06 0.24 0.00 1.12 0.00 0.00 29.99 31.40 1a6f n HIS 22 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1a6f s GLY 23 N -2.12 1.65 0.23 -1.41 0.00 0.47 -4.98 107.32 101.16 1a6f s GLY 23 Ca 0.01 -1.11 0.05 0.00 0.00 0.00 0.00 44.72 43.68 1a6f s GLY 23 CO 0.32 -0.21 0.27 -1.59 0.00 0.00 0.00 173.10 171.90 1a6f s THR 24 N -3.26 4.92 0.01 0.90 2.01 0.21 -4.90 115.64 115.53 1a6f s THR 24 Ca 0.73 -1.11 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 1a6f s THR 24 Cb -0.07 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 1a6f s THR 24 CO 0.55 -0.29 -0.02 -0.44 -0.69 0.00 0.00 174.62 173.74 1a6f s SER 25 N -3.76 0.17 0.02 3.53 0.01 -1.26 -0.86 113.70 111.54 1a6f s SER 25 Ca 0.33 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1a6f s SER 25 Cb -0.09 0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 1a6f s SER 25 CO 0.27 -0.22 -0.02 0.68 0.41 0.00 0.00 173.24 174.35 1a6f s VAL 26 N -1.07 0.11 0.10 3.43 -7.23 -1.16 -5.04 120.40 109.54 1a6f s VAL 26 Ca -0.12 -0.65 0.03 0.00 -1.81 0.00 0.00 61.98 59.42 1a6f s VAL 26 Cb -0.07 -0.21 -0.04 0.00 0.56 0.00 0.00 36.38 36.62 1a6f s VAL 26 CO -0.01 -0.34 -0.08 0.00 -0.31 0.00 0.00 175.10 174.36 1a6f s ALA 27 N -1.03 1.01 0.39 1.32 0.00 -1.26 -1.75 121.76 120.44 1a6f s ALA 27 Ca -0.11 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 50.64 1a6f s ALA 27 Cb -0.07 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1a6f s ALA 27 CO -0.01 -0.14 0.12 1.21 0.00 0.00 0.00 175.76 176.94 1a6f s ASN 28 N -2.72 2.65 0.41 0.00 3.84 0.21 -4.97 114.94 114.36 1a6f s ASN 28 Ca 0.08 -1.61 0.21 0.00 0.21 0.00 0.00 52.86 51.75 1a6f s ASN 28 Cb 0.01 0.39 0.84 0.00 -0.55 0.00 0.00 41.25 41.94 1a6f s ASN 28 CO -0.02 -0.87 1.80 -0.09 -2.79 0.00 0.00 177.10 175.13 1a6f h ARG 29 N 1.87 0.00 0.00 0.43 2.43 -2.00 -3.30 114.38 113.81 1a6f h ARG 29 Ca -0.36 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.43 1a6f h ARG 29 Cb 1.27 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.75 1a6f h ARG 29 CO 0.59 0.29 -2.43 1.04 -1.51 0.00 0.00 179.97 177.95 1a6f n GLN 30 N -3.51 0.65 -4.09 0.20 3.00 -1.26 -4.50 117.38 107.87 1a6f n GLN 30 Ca -0.00 0.12 -0.08 0.00 -0.01 0.00 0.00 57.00 57.03 1a6f n GLN 30 Cb 0.45 -1.51 -0.10 0.00 0.00 0.00 0.00 30.24 29.08 1a6f n GLN 30 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1a6f s PHE 31 N -2.50 0.57 -0.22 1.08 0.08 -1.24 -0.16 117.98 115.58 1a6f s PHE 31 Ca -0.31 -0.93 0.02 0.00 0.12 0.00 0.00 56.93 55.83 1a6f s PHE 31 Cb 0.08 -0.39 0.04 0.00 -0.57 0.00 0.00 43.02 42.18 1a6f s PHE 31 CO 0.62 -0.29 -0.15 0.08 -0.10 0.00 0.00 175.22 175.38 1a6f s VAL 32 N -3.39 2.08 -0.40 -0.44 1.01 0.19 0.68 120.40 120.13 1a6f s VAL 32 Ca 0.04 -1.28 -0.13 0.00 0.00 0.00 0.00 61.98 60.62 1a6f s VAL 32 Cb 0.04 -2.05 0.04 0.00 0.00 0.00 0.00 36.38 34.41 1a6f s VAL 32 CO -0.07 0.24 0.26 -0.22 0.00 0.00 0.00 175.10 175.31 1a6f s LEU 33 N 1.21 4.99 -0.25 3.92 2.96 -0.72 0.01 118.68 130.80 1a6f s LEU 33 Ca -0.02 -1.05 -0.14 0.00 -0.22 0.00 0.00 54.13 52.69 1a6f s LEU 33 Cb -0.17 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1a6f s LEU 33 CO -0.09 -0.45 0.34 -0.31 -1.32 0.00 0.00 176.35 174.52 1a6f s TYR 34 N 1.59 3.29 -0.20 5.38 1.51 0.25 -2.98 117.35 126.19 1a6f s TYR 34 Ca 0.03 0.42 0.01 0.00 -1.01 0.00 0.00 57.07 56.52 1a6f s TYR 34 Cb -0.20 -2.51 0.04 0.00 -0.11 0.00 0.00 41.96 39.18 1a6f s TYR 34 CO 0.07 -0.13 -0.13 0.95 -1.11 0.00 0.00 175.55 175.21 1a6f s THR 35 N 1.71 1.84 0.00 -0.71 -4.23 -0.04 0.74 115.64 114.95 1a6f s THR 35 Ca 0.14 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1a6f s THR 35 Cb -0.15 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1a6f s THR 35 CO 0.09 0.24 0.00 -0.11 -0.54 0.00 0.00 174.62 174.29 1a6f n LEU 36 N 4.62 0.00 0.00 4.79 0.00 -0.36 -0.61 117.00 125.44 1a6f n LEU 36 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.85 1a6f n LEU 36 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.89 1a6f n LEU 36 CO 0.22 0.00 0.00 -0.67 0.00 0.00 0.00 177.39 176.94 1a6f n ASP 37 N 0.00 0.00 -3.75 1.96 -0.08 -1.26 -4.69 116.55 108.73 1a6f n ASP 37 Ca 0.00 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.00 1a6f n ASP 37 Cb 0.00 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.30 1a6f n ASP 37 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1a6f s GLN 38 N 0.00 0.73 0.33 -0.67 -1.52 -1.26 -4.91 119.66 112.36 1a6f s GLN 38 Ca 0.00 -0.53 0.26 0.00 -1.95 0.00 0.00 55.36 53.14 1a6f s GLN 38 Cb 0.00 -2.12 0.94 0.00 -0.22 0.00 0.00 33.01 31.61 1a6f s GLN 38 CO 0.00 -0.68 1.78 -1.00 -0.25 0.00 0.00 175.29 175.14 1a6f h PRO 39 N 8.21 0.00 -0.39 2.91 0.13 -2.01 -2.94 132.00 137.90 1a6f h PRO 39 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1a6f h PRO 39 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1a6f h PRO 39 CO 0.36 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.28 1a6f n GLU 40 N -2.54 1.95 -4.61 0.86 0.28 -1.26 -4.83 120.64 110.48 1a6f n GLU 40 Ca 0.03 -1.48 -0.33 0.00 -0.16 0.00 0.00 57.16 55.22 1a6f n GLU 40 Cb 0.34 -1.33 -0.14 0.00 1.43 0.00 0.00 31.44 31.74 1a6f n GLU 40 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1a6f s ASN 41 N -1.06 4.26 0.01 -1.84 -0.87 -1.11 -5.00 114.94 109.33 1a6f s ASN 41 Ca 0.29 -0.27 0.24 0.00 -1.57 0.00 0.00 52.86 51.55 1a6f s ASN 41 Cb 0.15 -1.67 0.34 0.00 -0.02 0.00 0.00 41.25 40.05 1a6f s ASN 41 CO 0.20 0.16 1.29 0.47 -2.57 0.00 0.00 177.10 176.65 1a6f n ASP 42 N 3.60 0.60 -3.97 -1.22 8.00 -1.26 -4.89 116.55 117.40 1a6f n ASP 42 Ca -0.18 -0.33 -0.09 0.00 0.71 0.00 0.00 54.79 54.90 1a6f n ASP 42 Cb 0.53 0.41 -0.11 0.00 -0.02 0.00 0.00 41.12 41.93 1a6f n ASP 42 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1a6f s GLU 43 N -3.03 0.38 0.74 -1.24 2.02 -1.26 -4.94 118.70 111.37 1a6f s GLU 43 Ca 0.09 -0.66 -0.11 0.00 0.02 0.00 0.00 54.97 54.32 1a6f s GLU 43 Cb 0.17 0.14 0.04 0.00 0.10 0.00 0.00 34.13 34.57 1a6f s GLU 43 CO 0.74 -0.07 1.08 -0.48 0.02 0.00 0.00 175.26 176.54 1a6f s LEU 44 N -1.65 3.02 -0.01 1.80 2.34 -1.26 -4.74 118.68 118.19 1a6f s LEU 44 Ca -0.13 1.67 0.03 0.00 0.06 0.00 0.00 54.13 55.76 1a6f s LEU 44 Cb -0.07 -4.44 -0.01 0.00 -0.56 0.00 0.00 46.19 41.11 1a6f s LEU 44 CO -0.02 -1.75 -0.09 -0.13 -1.06 0.00 0.00 176.35 173.30 1a6f s ARG 45 N -5.00 0.71 -0.10 1.48 0.52 -0.42 -4.36 118.95 111.79 1a6f s ARG 45 Ca 0.60 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 55.52 1a6f s ARG 45 Cb -0.15 -0.69 0.00 0.00 0.52 0.00 0.00 34.95 34.63 1a6f s ARG 45 CO 0.55 0.19 -0.21 0.08 0.02 0.00 0.00 175.30 175.94 1a6f s VAL 46 N -0.21 1.82 -0.05 3.52 1.01 -0.38 0.50 120.40 126.61 1a6f s VAL 46 Ca 0.03 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1a6f s VAL 46 Cb -0.03 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1a6f s VAL 46 CO -0.00 0.51 -0.20 -0.83 0.00 0.00 0.00 175.10 174.57 1a6f s GLY 47 N 0.49 1.40 -0.12 4.51 0.00 0.19 -0.71 107.32 113.09 1a6f s GLY 47 Ca -0.16 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.55 1a6f s GLY 47 CO 0.06 -0.76 -0.20 1.08 0.00 0.00 0.00 173.10 173.28 1a6f s LEU 48 N -0.51 2.26 -0.22 0.66 1.02 -1.26 -1.33 118.68 119.30 1a6f s LEU 48 Ca 0.07 -0.51 0.01 0.00 0.02 0.00 0.00 54.13 53.71 1a6f s LEU 48 Cb -0.11 -1.47 0.05 0.00 0.02 0.00 0.00 46.19 44.68 1a6f s LEU 48 CO 0.01 0.14 -0.08 -0.55 0.02 0.00 0.00 176.35 175.89 1a6f s SER 49 N 0.49 3.66 -0.35 2.29 0.15 -0.03 -4.98 113.70 114.92 1a6f s SER 49 Ca -0.13 -1.05 -0.10 0.00 0.70 0.00 0.00 55.95 55.37 1a6f s SER 49 Cb -0.17 -1.21 0.02 0.00 -1.71 0.00 0.00 66.02 62.95 1a6f s SER 49 CO 0.05 -0.19 0.17 0.68 1.20 0.00 0.00 173.24 175.15 1a6f s VAL 50 N 1.39 4.39 0.00 4.45 -7.23 -1.26 -0.46 120.40 121.68 1a6f s VAL 50 Ca -0.04 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1a6f s VAL 50 Cb -0.18 -3.42 0.00 0.00 0.56 0.00 0.00 36.38 33.35 1a6f s VAL 50 CO -0.07 -0.17 0.00 -0.24 -0.31 0.00 0.00 175.10 174.31 1a6f n SER 51 N 4.95 0.00 0.00 4.85 2.88 -0.70 -4.62 113.62 120.98 1a6f n SER 51 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1a6f n SER 51 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1a6f n SER 51 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1a6f n LYS 52 N -0.87 0.00 -0.92 -1.46 4.81 -1.26 -4.75 118.16 113.71 1a6f n LYS 52 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 1a6f n LYS 52 Cb 0.00 -2.93 0.11 0.00 0.02 0.00 0.00 35.03 32.23 1a6f n LYS 52 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1a6f n LYS 53 N -2.00 1.96 -0.00 1.64 4.76 -1.26 -2.90 118.16 120.36 1a6f n LYS 53 Ca 0.00 -2.16 0.00 0.00 -2.87 0.00 0.00 58.31 53.28 1a6f n LYS 53 Cb 0.00 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.34 1a6f n LYS 53 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1a6f n ILE 54 N -0.53 0.35 0.00 -0.18 5.41 -1.26 -4.94 119.36 118.21 1a6f n ILE 54 Ca 0.43 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1a6f n ILE 54 Cb 1.13 0.83 0.00 0.00 -0.71 0.00 0.00 39.64 40.88 1a6f n ILE 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a6f n GLY 55 N -0.17 0.00 3.56 7.39 0.00 -1.14 -4.64 105.19 110.19 1a6f n GLY 55 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1a6f n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a6f n ASN 56 N 0.00 3.00 -0.28 1.61 5.03 -1.26 -4.79 115.26 118.57 1a6f n ASN 56 Ca 0.00 0.35 0.17 0.00 0.87 0.00 0.00 54.58 55.96 1a6f n ASN 56 Cb 0.00 -1.46 0.45 0.00 -1.02 0.00 0.00 39.78 37.75 1a6f n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a6f h ALA 57 N 13.71 2.02 -1.00 5.41 0.00 -2.00 -1.06 119.26 136.36 1a6f h ALA 57 Ca -0.38 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1a6f h ALA 57 Cb 1.27 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1a6f h ALA 57 CO 0.97 -0.33 0.66 -0.24 0.00 0.00 0.00 179.25 180.32 1a6f h VAL 58 N 0.54 1.25 -0.06 0.00 3.04 -1.93 0.59 116.25 119.66 1a6f h VAL 58 Ca 0.50 -0.46 -0.17 0.00 -1.01 0.00 0.00 66.70 65.55 1a6f h VAL 58 Cb 1.05 -0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.11 1a6f h VAL 58 CO -0.23 0.24 -0.71 0.24 -1.01 0.00 0.00 177.57 176.11 1a6f h MET 59 N 1.34 0.32 -0.03 4.17 2.86 -1.52 -1.27 114.93 120.79 1a6f h MET 59 Ca 0.37 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 1a6f h MET 59 Cb -0.14 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1a6f h MET 59 CO -0.08 0.90 -0.29 0.00 1.06 0.00 0.00 176.91 178.49 1a6f h ARG 60 N 0.22 0.26 -0.65 1.72 3.08 -0.87 -1.87 114.38 116.27 1a6f h ARG 60 Ca -0.02 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1a6f h ARG 60 Cb 1.27 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.34 1a6f h ARG 60 CO 0.12 0.91 0.32 -0.97 -1.07 0.00 0.00 179.97 179.28 1a6f h ASN 61 N -0.31 0.84 0.52 7.04 -0.00 0.11 -1.37 115.58 122.42 1a6f h ASN 61 Ca -0.03 -0.12 -0.02 0.00 -0.00 0.00 0.00 56.30 56.13 1a6f h ASN 61 Cb 0.98 -0.22 -0.02 0.00 -0.00 0.00 0.00 38.32 39.07 1a6f h ASN 61 CO 0.06 0.73 -0.43 -0.09 -0.00 0.00 0.00 177.43 177.70 1a6f h ARG 62 N 0.90 -0.90 -0.62 6.67 2.43 -1.25 -1.32 114.38 120.30 1a6f h ARG 62 Ca 0.23 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.55 1a6f h ARG 62 Cb 0.10 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1a6f h ARG 62 CO -0.03 -0.60 0.41 0.97 -1.51 0.00 0.00 179.97 179.21 1a6f h ILE 63 N -0.94 0.91 -0.29 1.20 6.09 -1.17 -1.56 117.51 121.76 1a6f h ILE 63 Ca -0.06 -0.16 -0.04 0.00 -1.37 0.00 0.00 64.86 63.24 1a6f h ILE 63 Cb 0.80 0.42 -0.01 0.00 0.47 0.00 0.00 36.82 38.49 1a6f h ILE 63 CO -0.01 0.08 0.04 0.11 -3.07 0.00 0.00 178.15 175.30 1a6f h LYS 64 N 0.45 0.49 -0.93 2.19 1.57 -0.67 -2.26 116.57 117.42 1a6f h LYS 64 Ca 0.28 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1a6f h LYS 64 Cb 0.51 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 1a6f h LYS 64 CO -0.08 0.60 0.61 0.00 -0.57 0.00 0.00 179.45 180.01 1a6f h ARG 65 N 0.31 1.17 -0.48 3.15 3.08 -0.30 0.14 114.38 121.46 1a6f h ARG 65 Ca 0.09 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1a6f h ARG 65 Cb 0.35 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1a6f h ARG 65 CO 0.01 0.78 0.01 -0.07 -1.07 0.00 0.00 179.97 179.62 1a6f h LEU 66 N 1.21 0.75 -0.03 3.04 3.38 -1.16 0.18 115.31 122.67 1a6f h LEU 66 Ca 0.35 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1a6f h LEU 66 Cb -0.07 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.49 1a6f h LEU 66 CO -0.10 0.81 -0.58 0.40 0.09 0.00 0.00 178.44 179.06 1a6f h ILE 67 N 0.73 1.40 -0.19 1.22 2.04 -0.75 0.44 117.51 122.40 1a6f h ILE 67 Ca 0.14 -2.00 0.01 0.00 1.00 0.00 0.00 64.86 64.02 1a6f h ILE 67 Cb 0.43 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 1a6f h ILE 67 CO 0.02 0.59 0.09 0.03 0.00 0.00 0.00 178.15 178.87 1a6f h ARG 68 N -0.01 0.18 -0.31 2.37 3.08 -0.57 0.26 114.38 119.38 1a6f h ARG 68 Ca -0.06 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1a6f h ARG 68 Cb 1.27 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1a6f h ARG 68 CO 0.12 0.12 -0.23 0.37 -1.07 0.00 0.00 179.97 179.28 1a6f h GLN 69 N 0.19 0.59 -0.57 0.04 4.15 -0.71 -1.26 115.11 117.54 1a6f h GLN 69 Ca 0.08 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 1a6f h GLN 69 Cb 0.02 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 1a6f h GLN 69 CO -0.06 0.77 0.27 0.00 -1.93 0.00 0.00 178.83 177.89 1a6f h ALA 70 N 1.23 1.42 -0.30 3.38 0.00 -0.09 -2.09 119.26 122.81 1a6f h ALA 70 Ca 0.08 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1a6f h ALA 70 Cb 0.68 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1a6f h ALA 70 CO 0.05 0.46 -0.15 0.74 0.00 0.00 0.00 179.25 180.35 1a6f h PHE 71 N 0.80 0.73 -0.74 0.00 0.04 -0.34 -2.95 116.94 114.48 1a6f h PHE 71 Ca 0.20 -0.18 0.14 0.00 2.80 0.00 0.00 57.97 60.92 1a6f h PHE 71 Cb 0.08 -0.17 -0.09 0.00 2.20 0.00 0.00 35.95 37.97 1a6f h PHE 71 CO 0.01 0.86 0.29 -0.07 -0.60 0.00 0.00 178.31 178.80 1a6f h LEU 72 N 0.39 0.27 -2.11 1.54 3.38 -0.60 1.27 115.31 119.45 1a6f h LEU 72 Ca 0.07 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1a6f h LEU 72 Cb 0.67 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1a6f h LEU 72 CO 0.04 0.11 -0.04 -0.33 0.09 0.00 0.00 178.44 178.31 1a6f h GLU 73 N 0.44 0.00 0.00 1.13 3.07 -1.30 -3.12 114.58 114.79 1a6f h GLU 73 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 1a6f h GLU 73 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1a6f h GLU 73 CO -0.39 0.04 -0.64 0.39 -1.40 0.00 0.00 179.01 177.01 1a6f n GLU 74 N -4.15 2.51 -0.61 2.33 -0.58 0.21 -4.68 120.64 115.68 1a6f n GLU 74 Ca -0.03 -0.00 0.48 0.00 -0.42 0.00 0.00 57.16 57.19 1a6f n GLU 74 Cb 0.13 -1.14 0.73 0.00 -0.57 0.00 0.00 31.44 30.59 1a6f n GLU 74 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1a6f n LYS 75 N -1.32 0.00 0.12 3.49 4.81 0.37 -0.79 118.16 124.84 1a6f n LYS 75 Ca 0.03 1.05 -0.21 0.00 -0.87 0.00 0.00 58.31 58.31 1a6f n LYS 75 Cb 0.21 -2.46 -0.15 0.00 0.02 0.00 0.00 35.03 32.65 1a6f n LYS 75 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1a6f h GLU 76 N 0.00 0.40 -0.01 1.64 4.39 -1.83 -3.33 114.58 115.84 1a6f h GLU 76 Ca 0.84 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1a6f h GLU 76 Cb 3.55 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 32.46 1a6f h GLU 76 CO -0.01 1.32 -0.14 0.54 -1.16 0.00 0.00 179.01 179.56 1a6f n ARG 77 N -3.61 1.17 -3.75 2.33 5.12 0.03 -4.92 116.66 113.04 1a6f n ARG 77 Ca -0.15 -0.67 -0.37 0.00 -1.93 0.00 0.00 57.85 54.73 1a6f n ARG 77 Cb 1.07 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.82 1a6f n ARG 77 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1a6f s LEU 78 N -2.29 4.39 0.79 0.55 1.02 -1.07 -1.21 118.68 120.86 1a6f s LEU 78 Ca 0.30 0.58 -0.14 0.00 0.02 0.00 0.00 54.13 54.89 1a6f s LEU 78 Cb 0.20 -2.22 0.07 0.00 0.02 0.00 0.00 46.19 44.26 1a6f s LEU 78 CO 0.44 0.35 1.19 0.29 0.02 0.00 0.00 176.35 178.64 1a6f n LYS 79 N 2.19 0.28 -2.01 1.70 5.02 -0.77 -4.86 118.16 119.72 1a6f n LYS 79 Ca -0.18 0.17 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 1a6f n LYS 79 Cb 0.54 -2.43 -0.00 0.00 -0.02 0.00 0.00 35.03 33.11 1a6f n LYS 79 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1a6f n GLU 80 N -3.07 3.70 -0.86 1.97 4.71 -1.26 -4.66 120.64 121.17 1a6f n GLU 80 Ca 0.14 -3.16 0.00 0.00 -0.01 0.00 0.00 57.16 54.13 1a6f n GLU 80 Cb 0.50 -2.92 0.00 0.00 -1.01 0.00 0.00 31.44 28.01 1a6f n GLU 80 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1a6f n LYS 81 N 3.80 2.33 -4.38 3.49 5.02 -1.26 -4.41 118.16 122.75 1a6f n LYS 81 Ca 0.52 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.47 1a6f n LYS 81 Cb 0.33 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.21 1a6f n LYS 81 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a6f s ASP 82 N -0.59 4.65 0.02 4.39 1.11 -1.26 -1.30 116.67 123.70 1a6f s ASP 82 Ca 0.00 -0.19 0.07 0.00 0.18 0.00 0.00 52.55 52.61 1a6f s ASP 82 Cb 0.00 -1.76 -0.03 0.00 1.07 0.00 0.00 42.92 42.20 1a6f s ASP 82 CO 0.00 0.14 -0.20 -0.31 1.18 0.00 0.00 175.17 175.98 1a6f s TYR 83 N 0.53 2.50 -0.08 4.23 1.51 0.18 -1.22 117.35 125.00 1a6f s TYR 83 Ca -0.04 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1a6f s TYR 83 Cb -0.14 -1.47 0.02 0.00 -0.11 0.00 0.00 41.96 40.26 1a6f s TYR 83 CO 0.03 0.19 -0.07 0.42 -1.11 0.00 0.00 175.55 175.00 1a6f s ILE 84 N -0.84 0.89 -0.18 2.71 -1.09 0.23 0.57 121.20 123.48 1a6f s ILE 84 Ca 0.13 -0.26 -0.01 0.00 -2.23 0.00 0.00 60.65 58.28 1a6f s ILE 84 Cb -0.10 -0.89 -0.00 0.00 -1.58 0.00 0.00 42.46 39.88 1a6f s ILE 84 CO 0.03 0.33 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.31 1a6f s ILE 85 N 1.32 2.80 -0.22 2.92 -1.09 -0.44 0.86 121.20 127.35 1a6f s ILE 85 Ca -0.03 -0.71 -0.07 0.00 -2.23 0.00 0.00 60.65 57.61 1a6f s ILE 85 Cb -0.14 -2.21 -0.03 0.00 -1.58 0.00 0.00 42.46 38.50 1a6f s ILE 85 CO -0.03 0.49 0.05 -0.63 -1.23 0.00 0.00 174.94 173.59 1a6f s ILE 86 N 1.09 4.40 -0.33 2.92 1.01 0.10 -0.85 121.20 129.54 1a6f s ILE 86 Ca 0.00 -0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.30 1a6f s ILE 86 Cb -0.14 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1a6f s ILE 86 CO -0.04 0.40 0.59 0.00 0.00 0.00 0.00 174.94 175.89 1a6f s ALA 87 N 1.07 3.50 0.50 9.38 0.00 0.39 -0.63 121.76 135.97 1a6f s ALA 87 Ca 0.04 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.03 1a6f s ALA 87 Cb -0.14 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.82 1a6f s ALA 87 CO 0.03 -1.17 0.94 1.03 0.00 0.00 0.00 175.76 176.59 1a6f s ARG 88 N 2.55 3.90 0.19 0.00 0.52 0.77 -1.73 118.95 125.16 1a6f s ARG 88 Ca 0.23 0.84 -0.16 0.00 -0.52 0.00 0.00 55.73 56.11 1a6f s ARG 88 Cb -0.15 -2.19 0.18 0.00 0.52 0.00 0.00 34.95 33.32 1a6f s ARG 88 CO 0.13 -0.23 1.35 1.63 0.02 0.00 0.00 175.30 178.20 1a6f n LYS 89 N -1.57 -0.22 0.00 3.54 4.76 -1.26 -0.77 118.16 122.64 1a6f n LYS 89 Ca 0.06 1.34 0.00 0.00 -2.87 0.00 0.00 58.31 56.84 1a6f n LYS 89 Cb 0.54 -1.99 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 1a6f n LYS 89 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1a6f n PRO 90 N -5.27 0.40 -0.01 1.97 -0.04 -1.26 -1.99 135.00 128.80 1a6f n PRO 90 Ca 0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1a6f n PRO 90 Cb 0.34 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.52 1a6f n PRO 90 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6f n ALA 91 N 0.40 2.20 -0.34 0.55 0.00 0.05 -4.70 120.51 118.68 1a6f n ALA 91 Ca 0.00 -0.21 0.34 0.00 0.00 0.00 0.00 53.44 53.57 1a6f n ALA 91 Cb 0.12 -0.19 0.72 0.00 0.00 0.00 0.00 19.45 20.09 1a6f n ALA 91 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a6f h SER 92 N 0.00 0.07 -0.39 0.00 4.64 -1.53 -2.15 113.55 114.19 1a6f h SER 92 Ca -0.03 0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 1a6f h SER 92 Cb 0.49 0.01 -0.12 0.00 -0.31 0.00 0.00 62.40 62.47 1a6f h SER 92 CO 0.00 0.01 -0.03 0.00 -0.87 0.00 0.00 176.83 175.94 1a6f n GLN 93 N -4.25 1.91 -2.93 4.77 6.02 -1.26 -4.90 117.38 116.73 1a6f n GLN 93 Ca 0.26 -3.17 -0.30 0.00 -0.01 0.00 0.00 57.00 53.78 1a6f n GLN 93 Cb 1.22 -1.84 -0.03 0.00 1.02 0.00 0.00 30.24 30.61 1a6f n GLN 93 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1a6f s LEU 94 N -3.24 3.87 0.28 1.08 1.43 -0.81 -5.09 118.68 116.20 1a6f s LEU 94 Ca 0.45 1.08 0.06 0.00 -1.03 0.00 0.00 54.13 54.70 1a6f s LEU 94 Cb 0.41 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 1a6f s LEU 94 CO 0.01 -0.36 0.35 0.42 0.23 0.00 0.00 176.35 177.00 1a6f s THR 95 N -2.32 4.62 0.16 5.49 -4.23 -1.26 -4.88 115.64 113.22 1a6f s THR 95 Ca 0.50 -1.10 -0.28 0.00 -1.18 0.00 0.00 61.69 59.63 1a6f s THR 95 Cb -0.10 -3.59 -0.00 0.00 1.34 0.00 0.00 72.50 70.15 1a6f s THR 95 CO 0.31 -0.27 1.55 0.22 -0.54 0.00 0.00 174.62 175.89 1a6f h TYR 96 N 1.16 -1.53 -0.72 3.99 3.20 -1.98 0.14 116.97 121.23 1a6f h TYR 96 Ca -0.49 0.10 0.16 0.00 3.14 0.00 0.00 58.73 61.64 1a6f h TYR 96 Cb 1.24 0.76 -0.12 0.00 1.54 0.00 0.00 36.73 40.16 1a6f h TYR 96 CO 0.47 -0.42 0.07 1.49 -1.64 0.00 0.00 178.16 178.13 1a6f h GLU 97 N -0.18 0.16 -0.54 1.82 4.57 -1.99 0.36 114.58 118.78 1a6f h GLU 97 Ca 0.17 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.25 1a6f h GLU 97 Cb 0.53 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1a6f h GLU 97 CO -0.77 0.10 -0.01 0.93 -1.18 0.00 0.00 179.01 178.08 1a6f h GLU 98 N 0.16 0.92 -0.33 1.92 5.08 -1.21 -2.07 114.58 119.05 1a6f h GLU 98 Ca 0.40 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1a6f h GLU 98 Cb 0.69 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1a6f h GLU 98 CO -0.58 0.92 0.01 1.15 -1.00 0.00 0.00 179.01 179.51 1a6f h THR 99 N 0.85 1.25 -0.84 1.13 2.02 0.79 -2.72 112.91 115.39 1a6f h THR 99 Ca 0.16 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 1a6f h THR 99 Cb 0.52 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 1a6f h THR 99 CO 0.03 0.31 0.41 0.50 0.37 0.00 0.00 175.52 177.13 1a6f h LYS 100 N 0.39 1.21 -0.10 6.66 3.64 -0.88 0.59 116.57 128.09 1a6f h LYS 100 Ca 0.10 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1a6f h LYS 100 Cb 0.42 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1a6f h LYS 100 CO 0.01 0.93 -0.34 0.87 -2.27 0.00 0.00 179.45 178.65 1a6f h LYS 101 N 1.20 0.19 -0.02 1.90 1.79 -1.33 -2.01 116.57 118.29 1a6f h LYS 101 Ca 0.29 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.65 1a6f h LYS 101 Cb 0.11 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1a6f h LYS 101 CO -0.04 0.52 -0.10 1.03 -1.08 0.00 0.00 179.45 179.79 1a6f h SER 102 N 0.17 0.12 -0.88 0.86 0.87 -1.04 -2.96 113.55 110.68 1a6f h SER 102 Ca 0.02 -0.66 0.03 0.00 -1.23 0.00 0.00 61.79 59.95 1a6f h SER 102 Cb 0.69 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.57 1a6f h SER 102 CO 0.05 0.76 0.57 -0.07 -0.53 0.00 0.00 176.83 177.62 1a6f h LEU 103 N -0.51 0.96 0.00 2.23 4.07 -0.85 -0.66 115.31 120.56 1a6f h LEU 103 Ca -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1a6f h LEU 103 Cb 0.76 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1a6f h LEU 103 CO 0.02 0.67 0.00 0.00 -1.08 0.00 0.00 178.44 178.05 1a6f n GLN 104 N -4.51 0.06 -0.05 1.13 6.02 -0.76 -0.54 117.38 118.73 1a6f n GLN 104 Ca 0.11 0.22 -0.12 0.00 -0.01 0.00 0.00 57.00 57.20 1a6f n GLN 104 Cb 0.07 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.72 1a6f n GLN 104 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1a6f h HIS 105 N 0.00 -0.02 -0.36 1.08 2.76 -0.94 -2.78 115.15 114.89 1a6f h HIS 105 Ca 0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1a6f h HIS 105 Cb 0.22 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1a6f h HIS 105 CO 0.00 0.74 0.09 -0.07 -1.30 0.00 0.00 177.93 177.39 1a6f h LEU 106 N -0.92 0.54 -1.01 0.26 3.38 -1.17 0.41 115.31 116.81 1a6f h LEU 106 Ca -0.00 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1a6f h LEU 106 Cb 0.77 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 1a6f h LEU 106 CO 0.00 0.62 0.65 -0.26 0.09 0.00 0.00 178.44 179.55 1a6f h PHE 107 N 0.43 1.21 -0.00 1.13 0.04 -0.95 0.40 116.94 119.20 1a6f h PHE 107 Ca 0.11 0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.76 1a6f h PHE 107 Cb 0.29 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 1a6f h PHE 107 CO 0.01 0.64 -0.73 -0.09 -0.60 0.00 0.00 178.31 177.55 1a6f h ARG 108 N 1.20 0.03 0.57 1.51 2.43 -1.19 -1.55 114.38 117.38 1a6f h ARG 108 Ca 0.43 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.54 1a6f h ARG 108 Cb 0.13 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1a6f h ARG 108 CO -0.16 0.75 -0.28 -0.22 -1.51 0.00 0.00 179.97 178.55 1a6f h LYS 109 N 0.02 -0.74 -1.11 0.20 1.63 0.14 -3.08 116.57 113.62 1a6f h LYS 109 Ca -0.01 0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 1a6f h LYS 109 Cb 1.30 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 33.08 1a6f h LYS 109 CO 0.10 -0.50 0.04 0.45 -3.45 0.00 0.00 179.45 176.09 1a6f n SER 110 N -4.93 3.32 -3.18 4.20 2.88 0.12 -4.87 113.62 111.16 1a6f n SER 110 Ca -0.10 -2.13 -0.20 0.00 -1.33 0.00 0.00 58.87 55.11 1a6f n SER 110 Cb 0.30 -0.59 -0.04 0.00 -0.75 0.00 0.00 64.21 63.13 1a6f n SER 110 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1a6f n SER 111 N 0.53 -0.47 -1.43 -3.46 7.64 -1.00 -4.79 113.62 110.64 1a6f n SER 111 Ca 0.03 -0.65 -0.08 0.00 1.01 0.00 0.00 58.87 59.19 1a6f n SER 111 Cb 0.56 -0.82 0.05 0.00 -1.01 0.00 0.00 64.21 62.99 1a6f n SER 111 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1a6f n LEU 112 N -2.49 4.42 -4.30 -3.43 4.77 -0.62 -4.82 117.00 110.52 1a6f n LEU 112 Ca -0.01 -2.27 -0.34 0.00 -0.03 0.00 0.00 56.01 53.36 1a6f n LEU 112 Cb 0.27 -0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 40.55 1a6f n LEU 112 CO 0.48 0.73 -0.43 -0.31 -1.33 0.00 0.00 177.39 176.53 1a6f s TYR 113 N -1.07 2.87 -2.00 -1.77 2.02 -1.26 -1.84 117.35 114.31 1a6f s TYR 113 Ca 0.18 -0.94 0.17 0.00 -0.37 0.00 0.00 57.07 56.12 1a6f s TYR 113 Cb 0.15 -1.98 1.00 0.00 -0.40 0.00 0.00 41.96 40.74 1a6f s TYR 113 CO 0.03 -0.46 1.41 1.63 -1.57 0.00 0.00 175.55 176.59