#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 0.03 0.64 -5.08 -4.23 -1.26 -5.00 115.64 100.74 1l3h s THR 2 Ca 0.00 -1.82 0.34 0.00 -1.18 0.00 0.00 61.69 59.03 1l3h s THR 2 Cb 0.00 -2.29 0.37 0.00 1.34 0.00 0.00 72.50 71.92 1l3h s THR 2 CO 0.00 -0.13 2.15 0.50 -0.54 0.00 0.00 174.62 176.60 1l3h h LYS 3 N 2.60 0.00 0.22 3.99 3.64 -1.98 0.20 116.57 125.25 1l3h h LYS 3 Ca -0.34 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1l3h h LYS 3 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1l3h h LYS 3 CO 0.51 0.00 -0.11 0.00 -2.27 0.00 0.00 179.45 177.58 1l3h h GLN 5 N -0.95 0.09 0.98 0.00 4.20 -1.56 0.57 115.11 118.44 1l3h h GLN 5 Ca -0.03 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1l3h h GLN 5 Cb 0.23 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.00 1l3h h GLN 5 CO 0.05 0.06 -0.47 0.93 -0.67 0.00 0.00 178.83 178.73 1l3h h GLU 6 N 0.09 -1.27 -0.49 1.46 5.08 -0.80 -0.60 114.58 118.05 1l3h h GLU 6 Ca 0.09 0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1l3h h GLU 6 Cb 0.25 0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1l3h h GLU 6 CO -0.01 -0.85 0.16 0.93 -1.00 0.00 0.00 179.01 178.24 1l3h h GLU 7 N -1.32 0.72 -0.04 2.33 4.39 -1.20 0.25 114.58 119.71 1l3h h GLU 7 Ca -0.14 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.38 1l3h h GLU 7 Cb 1.01 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1l3h h GLU 7 CO 0.22 0.62 -0.27 0.28 -1.16 0.00 0.00 179.01 178.70 1l3h h VAL 8 N 0.71 1.22 -0.03 3.13 2.07 -0.95 0.14 116.25 122.52 1l3h h VAL 8 Ca 0.17 -1.02 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 1l3h h VAL 8 Cb 0.20 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1l3h h VAL 8 CO -0.01 0.30 -0.26 0.28 0.02 0.00 0.00 177.57 177.90 1l3h h SER 9 N 0.07 0.28 0.62 0.57 0.02 -0.02 -3.37 113.55 111.71 1l3h h SER 9 Ca 0.01 -0.70 -0.15 0.00 -0.84 0.00 0.00 61.79 60.11 1l3h h SER 9 Cb 0.52 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1l3h h SER 9 CO 0.04 0.94 -0.68 0.45 -1.14 0.00 0.00 176.83 176.44 1l3h h HIS 10 N -0.35 0.07 -3.33 3.45 -0.00 -0.38 -3.36 115.15 111.24 1l3h h HIS 10 Ca -0.02 -0.03 -0.76 0.00 -0.00 0.00 0.00 60.37 59.55 1l3h h HIS 10 Cb 0.95 -0.01 -0.25 0.00 -0.00 0.00 0.00 27.41 28.10 1l3h h HIS 10 CO 0.15 0.71 -0.15 0.42 -0.00 0.00 0.00 177.93 179.06 1l3h s ILE 11 N -3.50 5.20 0.96 2.45 1.01 0.46 -5.07 121.20 122.71 1l3h s ILE 11 Ca -0.02 -1.84 -0.13 0.00 0.00 0.00 0.00 60.65 58.66 1l3h s ILE 11 Cb 0.12 -4.30 0.17 0.00 0.01 0.00 0.00 42.46 38.46 1l3h s ILE 11 CO 0.78 -0.91 1.14 -2.16 0.00 0.00 0.00 174.94 173.79 1l3h s PRO 12 N 1.12 0.74 0.66 2.79 0.04 -1.26 -4.60 135.00 134.49 1l3h s PRO 12 Ca 0.08 0.23 0.38 0.00 0.04 0.00 0.00 61.00 61.72 1l3h s PRO 12 Cb -0.24 -1.80 2.06 0.00 0.04 0.00 0.00 34.50 34.56 1l3h s PRO 12 CO -0.01 -2.46 2.18 0.00 0.04 0.00 0.00 177.00 176.75 1l3h h ALA 13 N -1.68 1.21 0.00 8.56 0.00 -1.94 -3.24 119.26 122.16 1l3h h ALA 13 Ca -0.50 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.75 1l3h h ALA 13 Cb 1.32 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.13 1l3h h ALA 13 CO 0.57 -0.15 2.68 0.28 0.00 0.00 0.00 179.25 182.63 1l3h n VAL 14 N -3.08 2.54 0.00 0.00 0.31 -1.26 -4.40 118.33 112.44 1l3h n VAL 14 Ca -0.02 -2.13 0.00 0.00 -0.01 0.00 0.00 64.34 62.18 1l3h n VAL 14 Cb 0.21 -2.42 0.00 0.00 -0.91 0.00 0.00 33.84 30.72 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 6.63 0.00 -1.59 3.52 -0.00 -1.23 -5.07 115.22 117.48 1l3h n HIS 15 Ca 0.51 0.00 -0.63 0.00 -0.00 0.00 0.00 57.72 57.60 1l3h n HIS 15 Cb 0.38 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.27 1l3h n HIS 15 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1l3h n PRO 16 N -0.84 0.28 0.00 -1.40 -0.02 -1.26 -0.23 135.00 131.53 1l3h n PRO 16 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1l3h n PRO 16 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1l3h n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1l3h n GLY 17 N 5.11 1.71 3.80 -1.23 0.00 -1.26 -5.08 105.19 108.24 1l3h n GLY 17 Ca 0.37 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.39 4.66 0.51 1.61 0.15 0.68 -4.93 113.70 115.99 1l3h s SER 18 Ca 0.00 -0.98 -0.12 0.00 0.70 0.00 0.00 55.95 55.55 1l3h s SER 18 Cb 0.00 -0.44 -0.06 0.00 -1.71 0.00 0.00 66.02 63.81 1l3h s SER 18 CO 0.00 -0.62 0.92 0.12 1.20 0.00 0.00 173.24 174.85 1l3h s PHE 19 N -2.57 3.52 -0.08 3.44 5.36 -1.26 -4.89 117.98 121.50 1l3h s PHE 19 Ca 0.43 1.23 -0.04 0.00 -0.96 0.00 0.00 56.93 57.59 1l3h s PHE 19 Cb 0.01 -2.62 0.04 0.00 -0.34 0.00 0.00 43.02 40.11 1l3h s PHE 19 CO 0.24 -0.38 0.19 0.50 -1.46 0.00 0.00 175.22 174.31 1l3h s ARG 20 N -4.40 0.15 0.97 10.12 3.52 -1.26 -4.99 118.95 123.06 1l3h s ARG 20 Ca 0.54 0.42 -0.13 0.00 -0.13 0.00 0.00 55.73 56.44 1l3h s ARG 20 Cb -0.10 -0.14 0.17 0.00 -1.56 0.00 0.00 34.95 33.32 1l3h s ARG 20 CO 0.39 -0.15 1.12 -1.25 -0.81 0.00 0.00 175.30 174.60 1l3h s PRO 21 N 1.12 0.65 0.04 5.12 0.04 -1.26 -4.85 135.00 135.86 1l3h s PRO 21 Ca -0.08 0.33 0.01 0.00 0.04 0.00 0.00 61.00 61.29 1l3h s PRO 21 Cb -0.10 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1l3h s PRO 21 CO -0.06 -2.54 -0.05 0.15 0.04 0.00 0.00 177.00 174.53 1l3h s LYS 22 N -5.18 0.48 0.16 4.56 3.01 -1.26 -4.80 119.74 116.70 1l3h s LYS 22 Ca 0.65 -0.79 0.05 0.00 -1.01 0.00 0.00 55.97 54.87 1l3h s LYS 22 Cb -0.16 -0.08 -0.04 0.00 -1.01 0.00 0.00 37.83 36.53 1l3h s LYS 22 CO 0.55 -0.01 -0.11 0.00 0.51 0.00 0.00 175.35 176.29 1l3h s ASP 24 N -3.17 5.21 0.30 0.00 1.47 0.26 -4.61 116.67 116.13 1l3h s ASP 24 Ca 0.18 -0.75 0.21 0.00 1.18 0.00 0.00 52.55 53.37 1l3h s ASP 24 Cb 0.02 0.08 1.10 0.00 -0.34 0.00 0.00 42.92 43.78 1l3h s ASP 24 CO 0.02 -1.22 1.65 -1.84 0.68 0.00 0.00 175.17 174.46 1l3h n GLU 25 N -2.17 0.15 -0.51 2.11 0.00 -1.26 -0.55 120.64 118.41 1l3h n GLU 25 Ca 0.14 0.59 0.09 0.00 0.00 0.00 0.00 57.16 57.98 1l3h n GLU 25 Cb 0.61 -1.93 0.31 0.00 0.00 0.00 0.00 31.44 30.44 1l3h n GLU 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1l3h n ASN 26 N -2.23 4.14 0.00 -1.84 3.02 -1.26 -4.95 115.26 112.13 1l3h n ASN 26 Ca -0.01 -2.32 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 1l3h n ASN 26 Cb 0.07 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1l3h n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1l3h n GLY 27 N 1.15 0.16 3.94 7.41 0.00 0.29 -4.99 105.19 113.15 1l3h n GLY 27 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 1l3h n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1l3h s ASN 28 N -2.05 5.72 0.15 1.61 0.01 -1.26 -4.38 114.94 114.74 1l3h s ASN 28 Ca 0.00 0.48 -0.31 0.00 -0.71 0.00 0.00 52.86 52.32 1l3h s ASN 28 Cb 0.00 -1.60 -0.11 0.00 0.41 0.00 0.00 41.25 39.95 1l3h s ASN 28 CO 0.00 -0.87 1.74 -0.31 -1.51 0.00 0.00 177.10 176.14 1l3h s TYR 29 N -2.76 2.56 0.09 2.20 1.51 0.07 -0.58 117.35 120.44 1l3h s TYR 29 Ca 0.51 0.23 -0.34 0.00 -1.01 0.00 0.00 57.07 56.46 1l3h s TYR 29 Cb -0.10 -4.10 -0.14 0.00 -0.11 0.00 0.00 41.96 37.50 1l3h s TYR 29 CO 0.41 -4.36 1.61 1.28 -1.11 0.00 0.00 175.55 173.39 1l3h n LEU 30 N 4.86 2.96 0.25 -1.29 4.77 -0.04 -4.44 117.00 124.08 1l3h n LEU 30 Ca 0.16 1.06 0.16 0.00 -0.03 0.00 0.00 56.01 57.37 1l3h n LEU 30 Cb 0.37 -1.38 0.71 0.00 -2.33 0.00 0.00 43.42 40.80 1l3h n LEU 30 CO 0.64 -0.34 1.13 -0.65 -1.33 0.00 0.00 177.39 176.84 1l3h h PRO 31 N 6.46 0.00 -5.62 3.23 0.11 -1.89 -3.37 132.00 130.92 1l3h h PRO 31 Ca -0.46 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.00 1l3h h PRO 31 Cb 1.27 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.19 1l3h h PRO 31 CO 0.89 0.00 -0.65 -1.17 -0.21 0.00 0.00 178.00 176.86 1l3h s LEU 32 N -6.16 3.38 0.09 2.35 2.96 -1.26 -0.37 118.68 119.66 1l3h s LEU 32 Ca -0.03 -0.02 0.07 0.00 -0.22 0.00 0.00 54.13 53.93 1l3h s LEU 32 Cb 0.10 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1l3h s LEU 32 CO 0.33 0.26 -0.19 -1.10 -1.32 0.00 0.00 176.35 174.33 1l3h s GLN 33 N -0.18 1.04 0.04 1.98 -1.52 0.15 -4.91 119.66 116.27 1l3h s GLN 33 Ca 0.04 -1.09 -0.00 0.00 -1.95 0.00 0.00 55.36 52.36 1l3h s GLN 33 Cb -0.13 -1.23 -0.03 0.00 -0.22 0.00 0.00 33.01 31.40 1l3h s GLN 33 CO 0.02 0.28 -0.04 0.00 -0.25 0.00 0.00 175.29 175.31 1l3h n TYR 35 N 0.78 1.11 -0.27 0.00 9.36 0.48 -4.69 117.16 123.94 1l3h n TYR 35 Ca -0.18 -3.78 0.07 0.00 3.32 0.00 0.00 57.90 57.33 1l3h n TYR 35 Cb 0.58 -0.26 0.21 0.00 -0.63 0.00 0.00 39.34 39.25 1l3h n TYR 35 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1l3h h GLY 36 N 4.93 1.22 1.94 2.98 0.00 -1.91 -2.37 103.07 109.86 1l3h h GLY 36 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1l3h h GLY 36 CO 0.57 -0.13 0.00 -1.14 0.00 0.00 0.00 176.54 175.84 1l3h n SER 37 N -5.01 0.00 -0.14 0.19 3.41 -1.26 -1.01 113.62 109.80 1l3h n SER 37 Ca 0.16 0.45 0.02 0.00 -0.26 0.00 0.00 58.87 59.24 1l3h n SER 37 Cb 0.46 -0.47 0.01 0.00 -0.26 0.00 0.00 64.21 63.95 1l3h n SER 37 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1l3h n ILE 38 N -1.47 0.00 -2.87 -1.33 -5.35 -0.91 -4.90 119.36 102.53 1l3h n ILE 38 Ca 0.02 -0.48 -0.09 0.00 -0.27 0.00 0.00 62.75 61.92 1l3h n ILE 38 Cb 0.08 1.07 0.04 0.00 -1.74 0.00 0.00 39.64 39.10 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 0.41 -0.83 3.09 3.28 0.00 -0.18 -5.07 105.19 105.89 1l3h n GLY 39 Ca 0.02 0.40 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.24 0.27 0.08 1.61 1.51 -1.18 -4.32 117.35 112.07 1l3h s TYR 40 Ca 0.29 -0.61 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 1l3h s TYR 40 Cb -0.04 -0.20 -0.03 0.00 -0.11 0.00 0.00 41.96 41.59 1l3h s TYR 40 CO 0.60 -0.34 0.04 0.00 -1.11 0.00 0.00 175.55 174.74 1l3h s TRP 42 N -3.93 0.21 0.29 0.00 -2.14 -0.11 -1.06 118.94 112.20 1l3h s TRP 42 Ca 0.10 -0.58 -0.09 0.00 2.66 0.00 0.00 56.10 58.19 1l3h s TRP 42 Cb 0.07 0.05 -0.07 0.00 -3.10 0.00 0.00 33.47 30.42 1l3h s TRP 42 CO -0.08 -0.72 0.61 0.00 -2.66 0.00 0.00 176.95 174.10 1l3h s VAL 44 N -2.02 1.44 0.73 0.00 -7.23 0.50 -0.42 120.40 113.39 1l3h s VAL 44 Ca 0.48 -1.79 -0.11 0.00 -1.81 0.00 0.00 61.98 58.75 1l3h s VAL 44 Cb -0.11 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.23 1l3h s VAL 44 CO 0.25 -0.42 1.07 -0.36 -0.31 0.00 0.00 175.10 175.34 1l3h s PHE 45 N -2.21 2.98 0.61 2.82 0.08 0.45 -4.43 117.98 118.28 1l3h s PHE 45 Ca 0.11 1.38 0.29 0.00 0.12 0.00 0.00 56.93 58.82 1l3h s PHE 45 Cb -0.05 -2.95 1.50 0.00 -0.57 0.00 0.00 43.02 40.96 1l3h s PHE 45 CO 0.04 -1.43 1.90 -1.35 -0.10 0.00 0.00 175.22 174.28 1l3h h PRO 46 N -0.86 0.00 0.00 0.24 0.11 -1.77 0.20 132.00 129.92 1l3h h PRO 46 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.57 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.63 1l3h n ASN 47 N -3.48 0.00 0.00 -2.05 0.23 -1.26 -0.75 115.26 107.95 1l3h n ASN 47 Ca 0.05 -0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 1l3h n ASN 47 Cb 0.58 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 1l3h n ASN 47 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1l3h n GLY 48 N 1.14 0.45 3.65 4.83 0.00 0.72 -4.90 105.19 111.07 1l3h n GLY 48 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.13 4.03 0.55 2.61 2.01 -1.25 -4.74 115.64 116.72 1l3h s THR 49 Ca 0.00 1.22 -0.20 0.00 0.31 0.00 0.00 61.69 63.02 1l3h s THR 49 Cb 0.00 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.55 1l3h s THR 49 CO 0.00 -0.23 0.93 1.21 -0.69 0.00 0.00 174.62 175.84 1l3h n GLU 50 N 7.05 0.99 -3.22 4.92 2.13 -1.26 -0.42 120.64 130.83 1l3h n GLU 50 Ca 0.15 0.37 -0.46 0.00 0.66 0.00 0.00 57.16 57.89 1l3h n GLU 50 Cb 0.45 -2.09 -0.03 0.00 0.27 0.00 0.00 31.44 30.04 1l3h n GLU 50 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1l3h s VAL 51 N -1.47 5.29 -0.68 6.31 1.01 0.44 -4.81 120.40 126.48 1l3h s VAL 51 Ca 0.71 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1l3h s VAL 51 Cb -0.45 -4.52 0.00 0.00 0.00 0.00 0.00 36.38 31.41 1l3h s VAL 51 CO 0.51 -1.12 0.33 -0.81 0.00 0.00 0.00 175.10 174.01 1l3h n PRO 52 N 4.94 0.51 0.00 2.72 -0.04 -1.26 -1.13 135.00 140.73 1l3h n PRO 52 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1l3h n PRO 52 Cb 0.46 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1l3h n PRO 52 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1l3h n ASN 53 N 0.41 0.59 0.14 3.54 5.03 -1.26 -4.73 115.26 118.98 1l3h n ASN 53 Ca 0.00 -0.86 0.12 0.00 0.87 0.00 0.00 54.58 54.70 1l3h n ASN 53 Cb 0.17 0.16 0.08 0.00 -1.02 0.00 0.00 39.78 39.17 1l3h n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1l3h h THR 54 N 0.19 0.00 -0.48 3.41 1.35 -1.50 -3.48 112.91 112.41 1l3h h THR 54 Ca 0.00 -0.96 -0.55 0.00 -0.55 0.00 0.00 66.41 64.34 1l3h h THR 54 Cb 0.10 1.66 -0.05 0.00 -1.73 0.00 0.00 68.15 68.12 1l3h h THR 54 CO 0.00 0.00 1.63 0.54 -0.25 0.00 0.00 175.52 177.44 1l3h n ARG 55 N -2.79 0.36 -4.24 4.72 1.74 -1.26 -4.68 116.66 110.51 1l3h n ARG 55 Ca 0.02 0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 57.00 1l3h n ARG 55 Cb 0.53 -2.03 -0.10 0.00 -1.02 0.00 0.00 32.46 29.85 1l3h n ARG 55 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1l3h s SER 56 N 8.99 0.98 0.00 0.55 0.01 -0.22 -5.01 113.70 119.00 1l3h s SER 56 Ca 1.22 -1.23 0.09 0.00 1.31 0.00 0.00 55.95 57.34 1l3h s SER 56 Cb -1.02 0.17 0.54 0.00 0.21 0.00 0.00 66.02 65.93 1l3h s SER 56 CO 0.47 -0.65 1.20 0.54 0.41 0.00 0.00 173.24 175.21 1l3h n ARG 57 N -0.26 0.82 -3.51 12.44 5.12 -1.26 -0.50 116.66 129.51 1l3h n ARG 57 Ca -0.04 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.89 1l3h n ARG 57 Cb 0.64 -1.17 0.01 0.00 -1.16 0.00 0.00 32.46 30.78 1l3h n ARG 57 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1l3h n GLY 58 N 0.43 0.36 3.65 -0.13 0.00 -1.26 -4.19 105.19 104.05 1l3h n GLY 58 Ca 0.07 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 1l3h n GLY 58 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1l3h s HIS 59 N -2.34 1.74 0.22 1.61 3.76 -1.26 -4.27 115.29 114.75 1l3h s HIS 59 Ca 0.23 1.57 -0.16 0.00 -0.15 0.00 0.00 55.06 56.54 1l3h s HIS 59 Cb -0.01 -3.23 0.02 0.00 1.11 0.00 0.00 32.58 30.47 1l3h s HIS 59 CO 0.00 -2.90 0.54 -3.38 -0.85 0.00 0.00 174.74 168.15 1l3h s HIS 60 N -2.67 0.03 0.00 1.40 -3.43 -1.26 -5.07 115.29 104.29 1l3h s HIS 60 Ca 0.66 -0.40 -0.05 0.00 -0.80 0.00 0.00 55.06 54.48 1l3h s HIS 60 Cb -0.22 0.38 -0.21 0.00 -1.43 0.00 0.00 32.58 31.09 1l3h s HIS 60 CO 0.59 -0.99 2.99 0.09 -2.00 0.00 0.00 174.74 175.42 1l3h n ASN 61 N -0.37 4.27 -4.53 7.38 4.13 -1.26 -4.93 115.26 119.95 1l3h n ASN 61 Ca -0.06 -2.29 -0.44 0.00 1.68 0.00 0.00 54.58 53.46 1l3h n ASN 61 Cb 0.62 -1.15 -0.05 0.00 -1.54 0.00 0.00 39.78 37.66 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 11.79 2.18 -0.68 0.00 7.64 -1.26 -4.77 113.62 128.52 1l3h n SER 63 Ca 0.37 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 56.74 1l3h n SER 63 Cb 0.37 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1l3h n SER 63 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1l3h n GLU 64 N -1.21 0.48 0.00 1.43 -0.58 -1.26 -5.19 120.64 114.31 1l3h n GLU 64 Ca 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1l3h n GLU 64 Cb 0.71 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 1l3h n GLU 64 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10