#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l3h s THR 2 N 0.00 2.94 0.33 -5.08 -4.23 -1.26 -4.82 115.64 103.53 1l3h s THR 2 Ca 0.00 0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.66 1l3h s THR 2 Cb 0.00 -3.26 0.31 0.00 1.34 0.00 0.00 72.50 70.89 1l3h s THR 2 CO 0.00 -0.31 1.86 0.50 -0.54 0.00 0.00 174.62 176.13 1l3h h LYS 3 N -0.60 0.77 0.95 3.99 3.64 -1.99 0.21 116.57 123.55 1l3h h LYS 3 Ca -0.45 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 58.84 1l3h h LYS 3 Cb 1.28 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1l3h h LYS 3 CO 0.63 0.51 -0.46 0.00 -2.27 0.00 0.00 179.45 177.85 1l3h h GLN 5 N -1.32 1.12 0.61 0.00 4.20 -1.56 -0.10 115.11 118.07 1l3h h GLN 5 Ca -0.13 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1l3h h GLN 5 Cb 0.98 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 28.52 1l3h h GLN 5 CO 0.22 0.74 -0.30 0.93 -0.67 0.00 0.00 178.83 179.75 1l3h h GLU 6 N 1.16 -0.80 -0.67 1.46 5.08 -0.65 0.06 114.58 120.23 1l3h h GLU 6 Ca 0.38 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.85 1l3h h GLU 6 Cb 0.04 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 1l3h h GLU 6 CO -0.12 -0.52 0.37 0.93 -1.00 0.00 0.00 179.01 178.67 1l3h h GLU 7 N -0.85 0.66 0.00 2.33 5.08 -0.86 -1.31 114.58 119.63 1l3h h GLU 7 Ca -0.08 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1l3h h GLU 7 Cb 0.64 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1l3h h GLU 7 CO 0.14 0.44 -0.31 0.28 -1.00 0.00 0.00 179.01 178.56 1l3h h VAL 8 N 0.68 1.03 -0.05 3.13 2.07 -1.00 0.24 116.25 122.35 1l3h h VAL 8 Ca 0.30 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1l3h h VAL 8 Cb 0.20 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1l3h h VAL 8 CO -0.19 0.30 0.00 -1.20 0.02 0.00 0.00 177.57 176.50 1l3h n SER 9 N -3.90 0.59 0.00 0.57 7.64 0.00 -4.20 113.62 114.32 1l3h n SER 9 Ca -0.02 -1.49 0.00 0.00 1.01 0.00 0.00 58.87 58.37 1l3h n SER 9 Cb 0.38 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1l3h n SER 9 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1l3h n HIS 10 N -0.41 0.00 -3.16 1.43 -0.00 -0.58 -4.92 115.22 107.58 1l3h n HIS 10 Ca 0.15 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.44 1l3h n HIS 10 Cb 0.16 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.09 1l3h n HIS 10 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1l3h s ILE 11 N -1.76 4.87 0.93 1.59 1.01 0.74 -5.08 121.20 123.49 1l3h s ILE 11 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 1l3h s ILE 11 Cb 0.00 -4.29 0.15 0.00 0.01 0.00 0.00 42.46 38.33 1l3h s ILE 11 CO 0.00 -0.78 1.16 -2.16 0.00 0.00 0.00 174.94 173.16 1l3h s PRO 12 N 2.63 0.99 0.62 2.79 0.04 -1.26 -4.58 135.00 136.23 1l3h s PRO 12 Ca 0.16 0.18 0.32 0.00 0.04 0.00 0.00 61.00 61.70 1l3h s PRO 12 Cb -0.19 -1.83 1.78 0.00 0.04 0.00 0.00 34.50 34.30 1l3h s PRO 12 CO 0.12 -2.28 2.10 0.00 0.04 0.00 0.00 177.00 176.99 1l3h h ALA 13 N -1.55 1.59 -0.75 8.56 0.00 -1.98 -3.16 119.26 121.96 1l3h h ALA 13 Ca -0.49 -0.00 -0.70 0.00 0.00 0.00 0.00 54.91 53.71 1l3h h ALA 13 Cb 1.32 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 1l3h h ALA 13 CO 0.58 -0.27 2.32 0.28 0.00 0.00 0.00 179.25 182.16 1l3h n VAL 14 N -3.50 3.89 -2.19 0.00 0.31 -1.26 -4.79 118.33 110.79 1l3h n VAL 14 Ca 0.00 -3.93 -0.29 0.00 -0.01 0.00 0.00 64.34 60.12 1l3h n VAL 14 Cb 0.31 -2.43 0.02 0.00 -0.91 0.00 0.00 33.84 30.82 1l3h n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1l3h n HIS 15 N 7.10 3.17 -1.83 3.52 1.44 -1.20 -5.08 115.22 122.34 1l3h n HIS 15 Ca 0.47 -2.76 -0.42 0.00 -2.01 0.00 0.00 57.72 53.00 1l3h n HIS 15 Cb 0.43 -0.42 -0.03 0.00 0.12 0.00 0.00 29.99 30.09 1l3h n HIS 15 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1l3h s PRO 16 N -3.66 4.17 0.00 -1.40 0.04 -1.26 -1.04 135.00 131.85 1l3h s PRO 16 Ca 0.51 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.02 1l3h s PRO 16 Cb 0.42 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1l3h s PRO 16 CO -0.15 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.60 1l3h n GLY 17 N 3.91 2.14 3.43 0.56 0.00 -1.26 -5.03 105.19 108.94 1l3h n GLY 17 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1l3h n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1l3h s SER 18 N -3.52 3.11 0.66 1.61 0.15 -0.20 -5.01 113.70 110.49 1l3h s SER 18 Ca 0.00 -1.07 -0.11 0.00 0.70 0.00 0.00 55.95 55.47 1l3h s SER 18 Cb 0.00 -0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.07 1l3h s SER 18 CO 0.00 -0.12 1.05 0.12 1.20 0.00 0.00 173.24 175.48 1l3h s PHE 19 N -2.77 3.41 -0.13 3.44 5.36 -1.26 -4.02 117.98 122.01 1l3h s PHE 19 Ca 0.27 1.32 -0.06 0.00 -0.96 0.00 0.00 56.93 57.50 1l3h s PHE 19 Cb -0.01 -2.81 0.05 0.00 -0.34 0.00 0.00 43.02 39.91 1l3h s PHE 19 CO 0.12 -0.94 0.29 0.50 -1.46 0.00 0.00 175.22 173.72 1l3h s ARG 20 N -5.14 0.23 1.13 10.12 3.52 -1.26 -4.99 118.95 122.56 1l3h s ARG 20 Ca 0.56 0.65 -0.14 0.00 -0.13 0.00 0.00 55.73 56.67 1l3h s ARG 20 Cb -0.12 -0.06 0.26 0.00 -1.56 0.00 0.00 34.95 33.46 1l3h s ARG 20 CO 0.54 -0.19 1.05 -2.14 -0.81 0.00 0.00 175.30 173.75 1l3h s PRO 21 N 1.61 -0.64 -0.01 5.12 0.02 -1.26 -4.63 135.00 135.20 1l3h s PRO 21 Ca -0.07 0.52 0.02 0.00 0.02 0.00 0.00 61.00 61.49 1l3h s PRO 21 Cb -0.10 -1.61 0.00 0.00 0.02 0.00 0.00 34.50 32.81 1l3h s PRO 21 CO -0.10 -3.46 -0.05 0.15 -0.33 0.00 0.00 177.00 173.21 1l3h s LYS 22 N -4.81 0.55 0.05 5.54 1.02 -1.26 -4.86 119.74 115.97 1l3h s LYS 22 Ca 0.67 -0.18 0.01 0.00 0.02 0.00 0.00 55.97 56.49 1l3h s LYS 22 Cb -0.20 -0.55 -0.03 0.00 -0.52 0.00 0.00 37.83 36.53 1l3h s LYS 22 CO 0.60 0.08 -0.05 0.00 -0.92 0.00 0.00 175.35 175.06 1l3h s ASP 24 N -2.23 3.85 0.44 0.00 1.47 -0.19 -4.74 116.67 115.27 1l3h s ASP 24 Ca -0.02 0.56 0.30 0.00 1.18 0.00 0.00 52.55 54.56 1l3h s ASP 24 Cb -0.02 -0.85 1.56 0.00 -0.34 0.00 0.00 42.92 43.27 1l3h s ASP 24 CO -0.04 -2.30 1.91 1.05 0.68 0.00 0.00 175.17 176.48 1l3h h GLU 25 N -1.33 0.00 -0.00 2.11 9.09 -2.02 -0.14 114.58 122.28 1l3h h GLU 25 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 1l3h h GLU 25 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 1l3h h GLU 25 CO 0.53 0.00 -0.14 0.09 0.05 0.00 0.00 179.01 179.55 1l3h n ASN 26 N -2.57 0.44 0.00 3.06 4.13 -1.26 -4.94 115.26 114.12 1l3h n ASN 26 Ca -0.01 -0.45 0.00 0.00 1.68 0.00 0.00 54.58 55.80 1l3h n ASN 26 Cb 0.08 -0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1l3h n ASN 26 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1l3h n GLY 27 N 1.32 0.89 3.80 7.41 0.00 -0.07 -5.01 105.19 113.53 1l3h n GLY 27 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1l3h n GLY 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1l3h s ASN 28 N -2.79 6.97 -0.00 1.61 2.47 -1.26 -4.37 114.94 117.57 1l3h s ASN 28 Ca 0.00 1.84 -0.34 0.00 0.42 0.00 0.00 52.86 54.77 1l3h s ASN 28 Cb 0.00 -2.56 -0.13 0.00 -1.45 0.00 0.00 41.25 37.11 1l3h s ASN 28 CO 0.00 -0.33 1.76 -1.22 -3.72 0.00 0.00 177.10 173.59 1l3h n TYR 29 N -0.16 2.28 -1.69 0.43 4.02 -1.26 -1.02 117.16 119.77 1l3h n TYR 29 Ca 0.05 0.12 -0.40 0.00 -0.01 0.00 0.00 57.90 57.66 1l3h n TYR 29 Cb 0.52 -2.61 0.03 0.00 -0.02 0.00 0.00 39.34 37.25 1l3h n TYR 29 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1l3h n LEU 30 N 5.40 4.32 0.26 7.72 4.77 0.29 -4.78 117.00 134.98 1l3h n LEU 30 Ca 0.21 1.01 0.18 0.00 -0.03 0.00 0.00 56.01 57.37 1l3h n LEU 30 Cb 0.29 -1.49 0.82 0.00 -2.33 0.00 0.00 43.42 40.71 1l3h n LEU 30 CO 0.70 -0.91 1.02 1.55 -1.33 0.00 0.00 177.39 178.42 1l3h h PRO 31 N 1.56 0.00 -5.44 3.23 0.13 -1.87 -3.38 132.00 126.23 1l3h h PRO 31 Ca -0.49 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.00 1l3h h PRO 31 Cb 1.31 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.23 1l3h h PRO 31 CO 0.57 0.00 -0.68 -1.17 -0.23 0.00 0.00 178.00 176.49 1l3h s LEU 32 N -5.72 3.17 0.08 1.56 2.96 -1.26 -0.92 118.68 118.56 1l3h s LEU 32 Ca -0.01 -0.13 0.10 0.00 -0.22 0.00 0.00 54.13 53.87 1l3h s LEU 32 Cb 0.10 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1l3h s LEU 32 CO 0.44 0.20 -0.26 -1.10 -1.32 0.00 0.00 176.35 174.31 1l3h s GLN 33 N 0.15 1.65 -0.03 1.98 -1.52 0.33 -4.83 119.66 117.39 1l3h s GLN 33 Ca -0.02 -1.21 0.00 0.00 -1.95 0.00 0.00 55.36 52.18 1l3h s GLN 33 Cb -0.14 -1.96 0.03 0.00 -0.22 0.00 0.00 33.01 30.71 1l3h s GLN 33 CO 0.03 0.49 0.00 0.00 -0.25 0.00 0.00 175.29 175.56 1l3h n TYR 35 N 4.23 3.51 -0.32 0.00 4.19 0.81 -4.27 117.16 125.32 1l3h n TYR 35 Ca -0.25 -2.92 0.20 0.00 3.31 0.00 0.00 57.90 58.24 1l3h n TYR 35 Cb 0.50 -2.36 0.47 0.00 0.49 0.00 0.00 39.34 38.44 1l3h n TYR 35 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 1l3h h GLY 36 N 9.54 1.34 2.00 2.98 0.00 -1.79 -0.52 103.07 116.62 1l3h h GLY 36 Ca 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1l3h h GLY 36 CO 1.74 -0.12 0.00 -1.26 0.00 0.00 0.00 176.54 176.90 1l3h n SER 37 N -4.66 0.05 0.00 0.19 2.88 -1.26 -1.65 113.62 109.17 1l3h n SER 37 Ca 0.24 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1l3h n SER 37 Cb 0.79 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1l3h n SER 37 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1l3h n ILE 38 N -1.56 0.00 -0.43 2.46 -5.35 -0.25 -4.71 119.36 109.52 1l3h n ILE 38 Ca 0.01 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1l3h n ILE 38 Cb 0.06 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 1l3h n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1l3h n GLY 39 N 0.04 1.77 3.84 3.28 0.00 -0.66 -5.02 105.19 108.43 1l3h n GLY 39 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1l3h n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1l3h s TYR 40 N -3.29 3.36 0.15 1.61 1.51 -1.21 -3.58 117.35 115.90 1l3h s TYR 40 Ca 0.00 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.51 1l3h s TYR 40 Cb 0.00 -2.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 1l3h s TYR 40 CO 0.00 -0.11 0.03 0.00 -1.11 0.00 0.00 175.55 174.36 1l3h s TRP 42 N -3.85 0.28 0.40 0.00 -2.14 -0.03 -0.39 118.94 113.21 1l3h s TRP 42 Ca 0.24 -0.65 -0.06 0.00 2.66 0.00 0.00 56.10 58.29 1l3h s TRP 42 Cb 0.07 -0.01 -0.05 0.00 -3.10 0.00 0.00 33.47 30.38 1l3h s TRP 42 CO 0.03 -0.70 0.70 0.00 -2.66 0.00 0.00 176.95 174.32 1l3h s VAL 44 N -2.42 1.03 0.56 0.00 -7.23 -0.09 -0.27 120.40 111.97 1l3h s VAL 44 Ca 0.47 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.55 1l3h s VAL 44 Cb -0.10 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 1l3h s VAL 44 CO 0.36 -0.67 0.88 -0.36 -0.31 0.00 0.00 175.10 175.00 1l3h s PHE 45 N -3.42 3.40 0.00 2.82 0.08 0.52 -4.37 117.98 117.01 1l3h s PHE 45 Ca 0.19 0.77 0.18 0.00 0.12 0.00 0.00 56.93 58.19 1l3h s PHE 45 Cb 0.04 -2.59 0.96 0.00 -0.57 0.00 0.00 43.02 40.85 1l3h s PHE 45 CO 0.02 -0.63 1.48 -1.35 -0.10 0.00 0.00 175.22 174.63 1l3h h PRO 46 N -0.06 0.00 -0.07 0.24 0.11 -1.89 0.10 132.00 130.43 1l3h h PRO 46 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1l3h h PRO 46 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1l3h h PRO 46 CO 0.61 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.67 1l3h n ASN 47 N -2.19 2.39 0.00 -2.05 6.94 -1.26 -4.12 115.26 114.97 1l3h n ASN 47 Ca -0.01 -1.79 0.00 0.00 -0.02 0.00 0.00 54.58 52.75 1l3h n ASN 47 Cb 0.23 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 1l3h n ASN 47 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1l3h n GLY 48 N 1.28 0.69 3.72 4.83 0.00 0.35 -4.98 105.19 111.08 1l3h n GLY 48 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1l3h n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l3h s THR 49 N -2.39 3.59 0.34 2.61 2.01 -1.24 -4.76 115.64 115.81 1l3h s THR 49 Ca 0.00 1.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.87 1l3h s THR 49 Cb 0.00 -3.74 -0.11 0.00 0.01 0.00 0.00 72.50 68.66 1l3h s THR 49 CO 0.00 0.10 1.53 -0.70 -0.69 0.00 0.00 174.62 174.86 1l3h s GLU 50 N 0.98 4.11 -0.49 4.92 2.12 -1.26 -0.35 118.70 128.74 1l3h s GLU 50 Ca 0.61 2.57 -0.26 0.00 0.36 0.00 0.00 54.97 58.25 1l3h s GLU 50 Cb -0.34 -2.99 0.03 0.00 0.26 0.00 0.00 34.13 31.09 1l3h s GLU 50 CO 0.30 -0.57 1.01 0.08 -0.54 0.00 0.00 175.26 175.54 1l3h s VAL 51 N -0.65 4.35 0.80 3.70 1.01 0.63 -4.82 120.40 125.42 1l3h s VAL 51 Ca 0.57 0.83 -0.13 0.00 0.00 0.00 0.00 61.98 63.25 1l3h s VAL 51 Cb -0.47 -4.52 0.08 0.00 0.00 0.00 0.00 36.38 31.47 1l3h s VAL 51 CO 0.57 -0.97 1.20 -2.16 0.00 0.00 0.00 175.10 173.74 1l3h s PRO 52 N 4.08 1.71 0.00 2.72 0.04 -1.26 -2.94 135.00 139.35 1l3h s PRO 52 Ca 0.40 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1l3h s PRO 52 Cb -0.09 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1l3h s PRO 52 CO 0.27 -2.15 0.00 0.09 0.04 0.00 0.00 177.00 175.24 1l3h n ASN 53 N -3.25 0.00 0.10 6.66 3.02 -1.26 -4.80 115.26 115.73 1l3h n ASN 53 Ca 0.13 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.64 1l3h n ASN 53 Cb 0.51 -2.27 0.11 0.00 -0.61 0.00 0.00 39.78 37.52 1l3h n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1l3h h THR 54 N 0.00 1.42 -0.90 3.41 1.35 -1.91 -3.46 112.91 112.82 1l3h h THR 54 Ca 0.00 -2.13 -0.61 0.00 -0.55 0.00 0.00 66.41 63.12 1l3h h THR 54 Cb 0.00 2.12 -0.03 0.00 -1.73 0.00 0.00 68.15 68.51 1l3h h THR 54 CO 0.00 0.62 1.51 -1.14 -0.25 0.00 0.00 175.52 176.27 1l3h n ARG 55 N -3.82 0.79 -4.21 4.72 0.00 -1.26 -4.70 116.66 108.19 1l3h n ARG 55 Ca -0.02 0.16 -0.12 0.00 -0.00 0.00 0.00 57.85 57.87 1l3h n ARG 55 Cb 0.65 -2.39 -0.10 0.00 0.00 0.00 0.00 32.46 30.62 1l3h n ARG 55 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1l3h s SER 56 N 8.41 0.78 0.00 6.15 0.01 0.47 -4.99 113.70 124.53 1l3h s SER 56 Ca 1.13 -1.23 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1l3h s SER 56 Cb -0.86 0.21 0.14 0.00 0.21 0.00 0.00 66.02 65.72 1l3h s SER 56 CO 0.46 -0.67 0.93 0.54 0.41 0.00 0.00 173.24 174.91 1l3h n ARG 57 N -0.21 0.03 -2.87 12.44 3.00 -1.26 -0.69 116.66 127.11 1l3h n ARG 57 Ca -0.05 0.28 -0.01 0.00 -0.01 0.00 0.00 57.85 58.07 1l3h n ARG 57 Cb 0.64 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.61 1l3h n ARG 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1l3h n GLY 58 N -1.07 0.82 3.57 -0.13 0.00 -1.24 -4.15 105.19 102.99 1l3h n GLY 58 Ca 0.01 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1l3h n GLY 58 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1l3h n HIS 59 N -0.43 -0.08 -3.84 1.61 8.25 -1.26 -3.93 115.22 115.54 1l3h n HIS 59 Ca -0.01 0.26 -0.09 0.00 -0.26 0.00 0.00 57.72 57.62 1l3h n HIS 59 Cb 0.33 -1.88 -0.04 0.00 1.12 0.00 0.00 29.99 29.52 1l3h n HIS 59 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1l3h s HIS 60 N -2.53 0.02 -1.53 4.41 -3.43 -1.26 -5.04 115.29 105.93 1l3h s HIS 60 Ca 0.65 -0.39 -0.09 0.00 -0.80 0.00 0.00 55.06 54.42 1l3h s HIS 60 Cb -0.22 0.38 -0.02 0.00 -1.43 0.00 0.00 32.58 31.29 1l3h s HIS 60 CO 0.62 -0.99 2.72 0.09 -2.00 0.00 0.00 174.74 175.17 1l3h n ASN 61 N -0.37 7.93 -4.58 7.38 4.13 -1.26 -4.92 115.26 123.57 1l3h n ASN 61 Ca -0.07 -2.75 -0.44 0.00 1.68 0.00 0.00 54.58 53.00 1l3h n ASN 61 Cb 0.62 -1.52 -0.04 0.00 -1.54 0.00 0.00 39.78 37.30 1l3h n ASN 61 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1l3h n SER 63 N 10.90 2.84 -0.17 0.00 3.41 -1.26 -4.16 113.62 125.18 1l3h n SER 63 Ca 0.31 -2.71 -0.02 0.00 -0.26 0.00 0.00 58.87 56.18 1l3h n SER 63 Cb 0.41 -1.24 -0.01 0.00 -0.26 0.00 0.00 64.21 63.11 1l3h n SER 63 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1l3h n GLU 64 N 6.78 -1.93 0.00 4.33 -0.58 -1.26 -5.15 120.64 122.82 1l3h n GLU 64 Ca 0.50 0.51 0.00 0.00 -0.42 0.00 0.00 57.16 57.75 1l3h n GLU 64 Cb 0.40 -4.76 0.00 0.00 -0.57 0.00 0.00 31.44 26.51 1l3h n GLU 64 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10