#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 2.89 0.26 -5.08 -4.23 -1.26 -4.84 115.64 103.37 1l3h s THR 2 Ca 0.00 0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 60.57 1l3h s THR 2 Cb 0.00 -3.25 0.23 0.00 1.34 0.00 0.00 72.50 70.82 1l3h s THR 2 CO 0.00 -0.30 1.78 0.50 -0.54 0.00 0.00 174.62 176.07 1l3h h LYS 3 N -0.63 0.68 0.52 3.99 3.64 -1.94 0.17 116.57 123.01 1l3h h LYS 3 Ca -0.45 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1l3h h LYS 3 Cb 1.29 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1l3h h LYS 3 CO 0.63 0.45 -0.44 0.00 -2.27 0.00 0.00 179.45 177.82 1l3h h GLN 5 N -0.94 0.74 0.15 0.00 4.20 -1.60 -0.31 115.11 117.36 1l3h h GLN 5 Ca -0.07 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.61 1l3h h GLN 5 Cb 0.79 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1l3h h GLN 5 CO -0.01 0.49 -0.23 0.93 -0.67 0.00 0.00 178.83 179.35 1l3h h GLU 6 N 0.77 -0.43 -0.87 1.46 5.08 -0.66 -0.24 114.58 119.68 1l3h h GLU 6 Ca 0.34 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.77 1l3h h GLU 6 Cb 0.23 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1l3h h GLU 6 CO -0.20 -0.28 0.56 0.93 -1.00 0.00 0.00 179.01 179.02 1l3h h GLU 7 N -0.44 1.03 -0.44 2.33 4.39 -0.37 -0.28 114.58 120.80 1l3h h GLU 7 Ca 0.02 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1l3h h GLU 7 Cb 0.45 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1l3h h GLU 7 CO -0.10 0.68 0.07 0.28 -1.16 0.00 0.00 179.01 178.77 1l3h h VAL 8 N 1.06 1.21 -0.08 3.13 2.07 -0.85 0.17 116.25 122.97 1l3h h VAL 8 Ca 0.36 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1l3h h VAL 8 Cb 0.06 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1l3h h VAL 8 CO -0.14 0.29 0.00 -0.24 0.02 0.00 0.00 177.57 177.50 1l3h n SER 9 N -4.28 0.60 0.00 0.57 2.88 -0.12 -4.20 113.62 109.06 1l3h n SER 9 Ca 0.03 -1.69 0.00 0.00 -1.33 0.00 0.00 58.87 55.88 1l3h n SER 9 Cb 0.23 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1l3h n SER 9 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1l3h n HIS 10 N -0.32 0.00 -3.28 0.66 -0.00 -0.23 -5.00 115.22 107.05 1l3h n HIS 10 Ca 0.11 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.43 1l3h n HIS 10 Cb 0.14 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.05 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 -1.53 5.08 0.82 1.59 1.01 0.56 -5.08 121.20 123.66 1l3h s ILE 11 Ca 0.00 0.66 -0.12 0.00 0.00 0.00 0.00 60.65 61.19 1l3h s ILE 11 Cb 0.00 -3.83 0.08 0.00 0.01 0.00 0.00 42.46 38.73 1l3h s ILE 11 CO 0.00 0.03 1.14 -2.16 0.00 0.00 0.00 174.94 173.95 1l3h s PRO 12 N 2.26 1.90 0.62 2.79 0.04 -1.26 -4.62 135.00 136.73 1l3h s PRO 12 Ca 0.19 0.33 0.33 0.00 0.04 0.00 0.00 61.00 61.88 1l3h s PRO 12 Cb -0.16 -1.92 1.87 0.00 0.04 0.00 0.00 34.50 34.33 1l3h s PRO 12 CO 0.10 -1.68 2.18 0.00 0.04 0.00 0.00 177.00 177.64 1l3h h ALA 13 N -1.12 1.51 -0.55 8.56 0.00 -1.99 -3.26 119.26 122.41 1l3h h ALA 13 Ca -0.47 -0.00 -0.70 0.00 0.00 0.00 0.00 54.91 53.73 1l3h h ALA 13 Cb 1.31 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1l3h h ALA 13 CO 0.63 -0.17 2.54 0.28 0.00 0.00 0.00 179.25 182.53 1l3h n VAL 14 N -3.54 3.78 -3.02 0.00 0.31 -1.26 -4.81 118.33 109.79 1l3h n VAL 14 Ca -0.01 -3.70 -0.28 0.00 -0.01 0.00 0.00 64.34 60.34 1l3h n VAL 14 Cb 0.22 -2.46 -0.04 0.00 -0.91 0.00 0.00 33.84 30.64 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 7.08 3.90 -2.12 3.52 1.44 -1.23 -5.06 115.22 122.75 1l3h n HIS 15 Ca 0.49 -3.94 -0.42 0.00 -2.01 0.00 0.00 57.72 51.84 1l3h n HIS 15 Cb 0.42 -0.55 -0.03 0.00 0.12 0.00 0.00 29.99 29.96 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 -3.33 4.15 0.00 -1.40 0.04 -1.26 -2.62 135.00 130.58 1l3h s PRO 16 Ca 0.47 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1l3h s PRO 16 Cb 0.25 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1l3h s PRO 16 CO -0.11 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.48 1l3h n GLY 17 N 4.06 0.61 3.13 0.56 0.00 -1.26 -5.02 105.19 107.27 1l3h n GLY 17 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1l3h n GLY 17 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1l3h n SER 18 N 0.00 -0.36 -4.12 1.61 2.88 -1.08 -5.19 113.62 107.37 1l3h n SER 18 Ca 0.00 -3.12 -0.19 0.00 -1.33 0.00 0.00 58.87 54.23 1l3h n SER 18 Cb 0.00 1.51 -0.13 0.00 -0.75 0.00 0.00 64.21 64.84 1l3h n SER 18 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1l3h s PHE 19 N -3.26 1.08 -0.21 0.66 5.36 -1.26 -4.85 117.98 115.49 1l3h s PHE 19 Ca 0.35 -0.35 0.01 0.00 -0.96 0.00 0.00 56.93 55.99 1l3h s PHE 19 Cb 0.02 -0.65 0.05 0.00 -0.34 0.00 0.00 43.02 42.10 1l3h s PHE 19 CO 0.25 0.01 -0.10 0.50 -1.46 0.00 0.00 175.22 174.43 1l3h s ARG 20 N -1.10 2.02 0.74 10.12 3.52 -1.26 -5.01 118.95 127.99 1l3h s ARG 20 Ca 0.00 -0.92 -0.11 0.00 -0.13 0.00 0.00 55.73 54.57 1l3h s ARG 20 Cb -0.08 -2.50 0.04 0.00 -1.56 0.00 0.00 34.95 30.86 1l3h s ARG 20 CO 0.01 -0.46 1.08 -1.25 -0.81 0.00 0.00 175.30 173.86 1l3h s PRO 21 N 1.36 2.52 0.17 5.12 0.04 -1.26 -4.99 135.00 137.95 1l3h s PRO 21 Ca -0.03 0.92 0.11 0.00 0.04 0.00 0.00 61.00 62.04 1l3h s PRO 21 Cb -0.17 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1l3h s PRO 21 CO -0.08 -1.39 -0.22 0.15 0.04 0.00 0.00 177.00 175.51 1l3h s LYS 22 N -5.03 1.61 0.08 4.56 3.01 -1.26 -4.61 119.74 118.09 1l3h s LYS 22 Ca 0.60 -1.40 0.05 0.00 -1.01 0.00 0.00 55.97 54.20 1l3h s LYS 22 Cb -0.15 -1.94 -0.03 0.00 -1.01 0.00 0.00 37.83 34.70 1l3h s LYS 22 CO 0.55 0.43 -0.13 0.00 0.51 0.00 0.00 175.35 176.71 1l3h s ASP 24 N -1.95 2.94 0.49 0.00 1.47 0.88 -4.66 116.67 115.84 1l3h s ASP 24 Ca 0.00 0.12 0.33 0.00 1.18 0.00 0.00 52.55 54.18 1l3h s ASP 24 Cb -0.08 -0.09 1.75 0.00 -0.34 0.00 0.00 42.92 44.16 1l3h s ASP 24 CO 0.02 -2.83 2.01 1.05 0.68 0.00 0.00 175.17 176.10 1l3h h GLU 25 N -1.67 0.00 -0.01 2.11 9.09 -2.00 0.84 114.58 122.93 1l3h h GLU 25 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 1l3h h GLU 25 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1l3h h GLU 25 CO 0.33 0.00 -0.08 0.09 0.05 0.00 0.00 179.01 179.40 1l3h n ASN 26 N -2.69 1.04 0.00 3.06 3.02 -1.26 -4.93 115.26 113.49 1l3h n ASN 26 Ca -0.02 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 1l3h n ASN 26 Cb 0.08 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 1.21 0.86 3.81 7.41 0.00 0.29 -4.99 105.19 113.79 1l3h n GLY 27 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 6.53 0.12 1.61 2.47 -1.26 -4.21 114.94 117.41 1l3h s ASN 28 Ca 0.00 1.76 -0.36 0.00 0.42 0.00 0.00 52.86 54.69 1l3h s ASN 28 Cb 0.00 -2.54 -0.15 0.00 -1.45 0.00 0.00 41.25 37.11 1l3h s ASN 28 CO 0.00 -0.65 1.45 -1.22 -3.72 0.00 0.00 177.10 172.95 1l3h n TYR 29 N -1.12 1.84 -1.69 0.43 4.02 -1.26 -0.08 117.16 119.30 1l3h n TYR 29 Ca 0.08 0.48 -0.45 0.00 -0.01 0.00 0.00 57.90 58.00 1l3h n TYR 29 Cb 0.53 -2.42 -0.03 0.00 -0.02 0.00 0.00 39.34 37.39 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 2.93 3.40 -0.31 7.72 4.77 0.16 -4.58 117.00 131.10 1l3h n LEU 30 Ca 0.18 1.09 0.23 0.00 -0.03 0.00 0.00 56.01 57.48 1l3h n LEU 30 Cb 0.23 -1.47 0.52 0.00 -2.33 0.00 0.00 43.42 40.37 1l3h n LEU 30 CO 0.63 -0.18 1.23 -0.65 -1.33 0.00 0.00 177.39 177.09 1l3h h PRO 31 N 5.74 0.36 -5.71 3.23 0.11 -1.90 -3.38 132.00 130.45 1l3h h PRO 31 Ca -0.45 -0.02 -0.66 0.00 0.11 0.00 0.00 66.00 64.98 1l3h h PRO 31 Cb 1.24 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 1l3h h PRO 31 CO 0.87 0.24 -0.44 -1.17 -0.21 0.00 0.00 178.00 177.30 1l3h s LEU 32 N -9.52 4.40 0.02 2.35 2.96 -1.26 -0.55 118.68 117.08 1l3h s LEU 32 Ca -0.08 0.54 0.06 0.00 -0.22 0.00 0.00 54.13 54.43 1l3h s LEU 32 Cb 0.25 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1l3h s LEU 32 CO 0.80 0.38 -0.18 -1.10 -1.32 0.00 0.00 176.35 174.93 1l3h s GLN 33 N -1.11 1.29 0.01 1.98 -1.52 0.31 -4.93 119.66 115.70 1l3h s GLN 33 Ca 0.17 -0.80 0.00 0.00 -1.95 0.00 0.00 55.36 52.79 1l3h s GLN 33 Cb -0.13 -1.33 -0.01 0.00 -0.22 0.00 0.00 33.01 31.32 1l3h s GLN 33 CO 0.07 0.35 -0.02 0.00 -0.25 0.00 0.00 175.29 175.43 1l3h s TYR 35 N -0.73 3.45 -1.08 0.00 5.04 0.25 -4.99 117.35 119.29 1l3h s TYR 35 Ca -0.07 -2.65 0.04 0.00 -2.44 0.00 0.00 57.07 51.95 1l3h s TYR 35 Cb -0.05 -3.19 0.19 0.00 0.35 0.00 0.00 41.96 39.26 1l3h s TYR 35 CO -0.00 -0.87 1.11 0.41 -1.34 0.00 0.00 175.55 174.85 1l3h n GLY 36 N 3.79 -0.61 0.22 8.97 0.00 -1.26 -0.91 105.19 115.38 1l3h n GLY 36 Ca 0.05 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1l3h n GLY 36 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1l3h h SER 37 N 0.00 0.00 0.00 1.61 4.64 -1.97 -3.34 113.55 114.49 1l3h h SER 37 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1l3h h SER 37 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1l3h h SER 37 CO 0.00 0.27 -0.44 2.30 -0.87 0.00 0.00 176.83 178.10 1l3h n ILE 38 N -3.68 0.00 -0.78 0.95 -5.35 -0.65 -5.05 119.36 104.80 1l3h n ILE 38 Ca -0.01 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1l3h n ILE 38 Cb 0.39 0.61 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 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 1.38 0.83 3.85 3.28 0.00 -0.09 -5.01 105.19 109.43 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 -3.23 3.45 0.19 1.61 1.51 -1.24 -3.76 117.35 115.88 1l3h s TYR 40 Ca 0.00 1.34 0.02 0.00 -1.01 0.00 0.00 57.07 57.42 1l3h s TYR 40 Cb 0.00 -2.68 -0.05 0.00 -0.11 0.00 0.00 41.96 39.12 1l3h s TYR 40 CO 0.00 -0.28 0.02 0.00 -1.11 0.00 0.00 175.55 174.18 1l3h s TRP 42 N -3.66 0.04 0.25 0.00 -2.14 0.04 -0.56 118.94 112.92 1l3h s TRP 42 Ca 0.26 -0.39 -0.07 0.00 2.66 0.00 0.00 56.10 58.56 1l3h s TRP 42 Cb 0.06 0.26 -0.06 0.00 -3.10 0.00 0.00 33.47 30.63 1l3h s TRP 42 CO 0.06 -0.86 0.54 0.00 -2.66 0.00 0.00 176.95 174.02 1l3h s VAL 44 N -1.95 1.53 0.47 0.00 -7.23 0.28 -0.31 120.40 113.19 1l3h s VAL 44 Ca 0.45 -2.13 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1l3h s VAL 44 Cb -0.11 -1.95 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 1l3h s VAL 44 CO 0.26 -0.63 0.70 -0.36 -0.31 0.00 0.00 175.10 174.75 1l3h s PHE 45 N -3.03 3.20 -1.26 2.82 0.08 0.46 -4.44 117.98 115.81 1l3h s PHE 45 Ca 0.20 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.49 1l3h s PHE 45 Cb 0.00 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.07 1l3h s PHE 45 CO 0.04 -0.43 0.73 -2.30 -0.10 0.00 0.00 175.22 173.17 1l3h n PRO 46 N -2.14 0.00 0.00 0.24 -0.02 -1.26 -0.59 135.00 131.23 1l3h n PRO 46 Ca 0.02 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.85 1l3h n PRO 46 Cb 0.58 -1.53 -0.02 0.00 -0.02 0.00 0.00 33.50 32.51 1l3h n PRO 46 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1l3h n ASN 47 N -1.23 1.64 0.00 2.55 6.94 -1.26 -4.63 115.26 119.27 1l3h n ASN 47 Ca 0.00 -1.32 0.00 0.00 -0.02 0.00 0.00 54.58 53.24 1l3h n ASN 47 Cb 0.03 0.55 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 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 1.27 0.54 3.70 4.83 0.00 0.24 -4.92 105.19 110.86 1l3h n GLY 48 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 3.48 0.82 2.61 2.01 -1.25 -4.75 115.64 116.56 1l3h s THR 49 Ca 0.00 1.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.89 1l3h s THR 49 Cb 0.00 -3.64 0.08 0.00 0.01 0.00 0.00 72.50 68.95 1l3h s THR 49 CO 0.00 0.05 1.09 -1.83 -0.69 0.00 0.00 174.62 173.24 1l3h s GLU 50 N 1.63 1.88 -0.63 4.92 -1.05 -1.26 -0.41 118.70 123.78 1l3h s GLU 50 Ca 0.64 0.85 -0.21 0.00 -0.15 0.00 0.00 54.97 56.10 1l3h s GLU 50 Cb -0.35 -1.88 0.08 0.00 -0.44 0.00 0.00 34.13 31.55 1l3h s GLU 50 CO 0.29 -1.82 0.86 0.08 0.95 0.00 0.00 175.26 175.62 1l3h s VAL 51 N -3.00 4.51 -0.74 1.83 1.01 0.57 -4.80 120.40 119.78 1l3h s VAL 51 Ca 0.62 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1l3h s VAL 51 Cb -0.16 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.62 1l3h s VAL 51 CO 0.56 -1.31 0.29 -0.81 0.00 0.00 0.00 175.10 173.83 1l3h n PRO 52 N 7.18 0.47 0.00 2.72 -0.04 -1.26 -0.82 135.00 143.24 1l3h n PRO 52 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1l3h n PRO 52 Cb 0.44 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.40 0.48 0.01 3.54 5.03 -1.26 -4.77 115.26 118.68 1l3h n ASN 53 Ca 0.00 -0.79 0.11 0.00 0.87 0.00 0.00 54.58 54.77 1l3h n ASN 53 Cb 0.15 0.23 0.12 0.00 -1.02 0.00 0.00 39.78 39.25 1l3h n ASN 53 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1l3h n THR 54 N -0.23 0.04 -1.68 3.41 -2.24 0.00 -4.90 114.28 108.69 1l3h n THR 54 Ca 0.00 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.43 1l3h n THR 54 Cb 0.05 0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 1l3h n THR 54 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1l3h s ARG 55 N -3.04 2.08 0.16 -0.78 3.00 -1.26 -4.36 118.95 114.75 1l3h s ARG 55 Ca 0.09 0.89 0.02 0.00 -1.00 0.00 0.00 55.73 55.73 1l3h s ARG 55 Cb 0.16 -4.65 -0.05 0.00 0.00 0.00 0.00 34.95 30.42 1l3h s ARG 55 CO 0.76 -3.52 -0.02 0.45 0.00 0.00 0.00 175.30 172.96 1l3h s SER 56 N 10.86 1.28 0.00 -2.12 0.15 0.28 -4.99 113.70 119.16 1l3h s SER 56 Ca 0.89 -1.12 0.14 0.00 0.70 0.00 0.00 55.95 56.56 1l3h s SER 56 Cb -0.14 0.10 0.81 0.00 -1.71 0.00 0.00 66.02 65.07 1l3h s SER 56 CO 0.18 -0.52 1.31 0.54 1.20 0.00 0.00 173.24 175.95 1l3h n ARG 57 N -0.20 0.37 -2.07 5.44 3.00 -1.26 -0.42 116.66 121.51 1l3h n ARG 57 Ca -0.08 0.05 0.00 0.00 -0.01 0.00 0.00 57.85 57.82 1l3h n ARG 57 Cb 0.62 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.59 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 -0.10 0.60 3.64 -0.13 0.00 -1.25 -4.27 105.19 103.68 1l3h n GLY 58 Ca 0.09 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 1l3h n GLY 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1l3h n HIS 59 N -0.10 0.92 -3.93 1.61 -0.00 -1.26 -4.10 115.22 108.35 1l3h n HIS 59 Ca 0.00 0.41 -0.09 0.00 -0.00 0.00 0.00 57.72 58.04 1l3h n HIS 59 Cb 0.06 -2.12 -0.03 0.00 -0.00 0.00 0.00 29.99 27.90 1l3h n HIS 59 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1l3h s HIS 60 N -1.71 0.19 -0.77 1.57 -3.43 -1.26 -5.06 115.29 104.82 1l3h s HIS 60 Ca 0.75 -0.62 0.03 0.00 -0.80 0.00 0.00 55.06 54.42 1l3h s HIS 60 Cb -0.36 0.43 0.20 0.00 -1.43 0.00 0.00 32.58 31.43 1l3h s HIS 60 CO 0.48 -1.16 0.66 0.09 -2.00 0.00 0.00 174.74 172.81 1l3h n ASN 61 N -0.62 3.64 -4.66 7.38 4.13 -1.26 -4.94 115.26 118.92 1l3h n ASN 61 Ca -0.03 -3.24 -0.46 0.00 1.68 0.00 0.00 54.58 52.53 1l3h n ASN 61 Cb 0.61 -0.85 -0.04 0.00 -1.54 0.00 0.00 39.78 37.95 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 7.31 3.40 -2.38 0.00 7.64 -1.26 -4.46 113.62 123.87 1l3h n SER 63 Ca 0.23 -2.24 -0.15 0.00 1.01 0.00 0.00 58.87 57.72 1l3h n SER 63 Cb 0.34 -0.92 -0.01 0.00 -1.01 0.00 0.00 64.21 62.61 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 4.56 -2.04 0.00 1.43 -0.58 -1.26 -5.16 120.64 117.59 1l3h n GLU 64 Ca 0.32 0.72 0.00 0.00 -0.42 0.00 0.00 57.16 57.78 1l3h n GLU 64 Cb 0.10 -5.32 0.00 0.00 -0.57 0.00 0.00 31.44 25.65 1l3h n GLU 64 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52