#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nzr n GLU 2 N 0.00 0.15 -3.43 0.00 4.07 -1.26 -0.46 120.64 119.71 1nzr n GLU 2 Ca 0.00 0.06 -0.20 0.00 -0.06 0.00 0.00 57.16 56.95 1nzr n GLU 2 Cb 0.00 -1.58 0.07 0.00 -0.06 0.00 0.00 31.44 29.87 1nzr n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1nzr s SER 4 N -3.34 -0.13 0.04 0.00 1.04 0.40 -1.89 113.70 109.82 1nzr s SER 4 Ca 0.47 -0.29 -0.19 0.00 0.48 0.00 0.00 55.95 56.43 1nzr s SER 4 Cb -0.21 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.30 1nzr s SER 4 CO 0.63 -0.64 0.43 0.54 0.98 0.00 0.00 173.24 175.18 1nzr s VAL 5 N -2.91 0.05 -0.03 5.02 0.11 -0.97 -4.16 120.40 117.49 1nzr s VAL 5 Ca 0.13 -0.41 0.07 0.00 -2.93 0.00 0.00 61.98 58.83 1nzr s VAL 5 Cb 0.01 -0.94 -0.02 0.00 -1.53 0.00 0.00 36.38 33.91 1nzr s VAL 5 CO -0.00 -0.23 -0.22 -1.81 -3.33 0.00 0.00 175.10 169.51 1nzr s ASP 6 N -1.93 3.34 0.07 3.54 1.11 -1.26 -1.70 116.67 119.83 1nzr s ASP 6 Ca -0.06 -0.39 0.03 0.00 0.18 0.00 0.00 52.55 52.31 1nzr s ASP 6 Cb -0.01 -0.54 -0.03 0.00 1.07 0.00 0.00 42.92 43.41 1nzr s ASP 6 CO -0.01 0.32 -0.10 -0.51 1.18 0.00 0.00 175.17 176.05 1nzr s ILE 7 N -0.60 0.78 0.00 0.77 2.07 -0.47 -4.97 121.20 118.79 1nzr s ILE 7 Ca 0.09 -1.33 0.04 0.00 -1.41 0.00 0.00 60.65 58.04 1nzr s ILE 7 Cb -0.11 -0.98 -0.01 0.00 0.13 0.00 0.00 42.46 41.49 1nzr s ILE 7 CO -0.00 -0.43 -0.14 -1.10 -1.91 0.00 0.00 174.94 171.36 1nzr s GLN 8 N -2.08 1.08 -0.15 3.50 -0.21 -1.26 -1.31 119.66 119.22 1nzr s GLN 8 Ca -0.03 -0.55 -0.00 0.00 0.02 0.00 0.00 55.36 54.80 1nzr s GLN 8 Cb -0.07 -1.05 0.03 0.00 1.00 0.00 0.00 33.01 32.92 1nzr s GLN 8 CO 0.00 0.28 -0.06 0.20 -2.12 0.00 0.00 175.29 173.59 1nzr s GLY 9 N -0.51 0.91 0.07 3.09 0.00 -0.80 -0.48 107.32 109.61 1nzr s GLY 9 Ca 0.05 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.05 1nzr s GLY 9 CO -0.00 0.88 0.10 1.16 0.00 0.00 0.00 173.10 175.24 1nzr n ASN 10 N 4.90 0.24 -0.69 1.64 0.23 -0.69 -3.69 115.26 117.20 1nzr n ASN 10 Ca -0.12 -1.18 0.12 0.00 -0.53 0.00 0.00 54.58 52.87 1nzr n ASN 10 Cb 0.49 -0.06 0.35 0.00 -2.08 0.00 0.00 39.78 38.48 1nzr n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1nzr n ASP 11 N -2.93 2.13 -1.08 0.53 9.92 -1.26 -3.14 116.55 120.71 1nzr n ASP 11 Ca 0.02 -1.73 0.11 0.00 -0.53 0.00 0.00 54.79 52.67 1nzr n ASP 11 Cb 0.07 -0.06 0.25 0.00 -0.64 0.00 0.00 41.12 40.75 1nzr n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nzr n GLN 12 N 0.65 2.40 -2.57 -1.24 6.02 -1.26 -4.95 117.38 116.43 1nzr n GLN 12 Ca 0.17 -2.13 -0.08 0.00 -0.01 0.00 0.00 57.00 54.95 1nzr n GLN 12 Cb 0.44 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.24 1nzr n GLN 12 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1nzr n MET 13 N 1.31 -2.32 -4.10 -1.09 2.81 -1.19 -5.06 117.12 107.49 1nzr n MET 13 Ca 0.19 0.44 -0.14 0.00 -1.81 0.00 0.00 57.70 56.38 1nzr n MET 13 Cb 0.56 -3.98 -0.11 0.00 -0.71 0.00 0.00 33.22 28.97 1nzr n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1nzr s GLN 14 N -4.22 0.63 0.15 0.03 -0.21 -1.26 -4.41 119.66 110.37 1nzr s GLN 14 Ca 0.11 -0.86 0.01 0.00 0.02 0.00 0.00 55.36 54.64 1nzr s GLN 14 Cb -0.01 -0.42 -0.04 0.00 1.00 0.00 0.00 33.01 33.54 1nzr s GLN 14 CO 0.38 0.08 0.31 -0.06 -2.12 0.00 0.00 175.29 173.88 1nzr s PHE 15 N -1.57 3.49 -2.01 0.91 0.08 -1.26 -1.70 117.98 115.93 1nzr s PHE 15 Ca -0.06 0.24 0.31 0.00 0.12 0.00 0.00 56.93 57.54 1nzr s PHE 15 Cb -0.09 -1.76 1.74 0.00 -0.57 0.00 0.00 43.02 42.34 1nzr s PHE 15 CO 0.00 0.48 2.14 0.27 -0.10 0.00 0.00 175.22 178.01 1nzr n ASN 16 N -0.41 0.22 -3.84 1.36 6.94 0.37 -4.80 115.26 115.09 1nzr n ASN 16 Ca -0.06 -0.99 -0.09 0.00 -0.02 0.00 0.00 54.58 53.43 1nzr n ASN 16 Cb 0.53 -0.02 -0.07 0.00 -2.36 0.00 0.00 39.78 37.86 1nzr n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1nzr s THR 17 N -2.06 0.13 0.00 5.53 -1.32 -1.26 -4.99 115.64 111.67 1nzr s THR 17 Ca 0.44 -1.10 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 1nzr s THR 17 Cb 0.22 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1nzr s THR 17 CO 0.38 -0.61 0.43 0.59 -2.21 0.00 0.00 174.62 173.20 1nzr n ASN 18 N 0.03 0.75 -3.76 8.08 4.13 -1.26 -4.83 115.26 118.39 1nzr n ASN 18 Ca -0.16 -1.16 -0.13 0.00 1.68 0.00 0.00 54.58 54.81 1nzr n ASN 18 Cb 0.62 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.72 1nzr n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1nzr s ALA 19 N -0.16 -0.30 0.05 5.41 0.00 -1.26 -1.58 121.76 123.92 1nzr s ALA 19 Ca 0.00 0.64 0.07 0.00 0.00 0.00 0.00 51.96 52.67 1nzr s ALA 19 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1nzr s ALA 19 CO 0.00 -0.14 -0.20 0.42 0.00 0.00 0.00 175.76 175.83 1nzr s ILE 20 N 0.95 1.65 -0.01 0.00 1.01 0.06 -4.96 121.20 119.89 1nzr s ILE 20 Ca -0.07 -1.22 0.05 0.00 0.00 0.00 0.00 60.65 59.40 1nzr s ILE 20 Cb -0.09 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 1nzr s ILE 20 CO -0.05 0.17 -0.16 0.42 0.00 0.00 0.00 174.94 175.32 1nzr s THR 21 N -0.84 1.30 -0.12 2.92 -4.23 -1.26 -2.17 115.64 111.24 1nzr s THR 21 Ca 0.07 -0.70 -0.04 0.00 -1.18 0.00 0.00 61.69 59.84 1nzr s THR 21 Cb -0.09 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 1nzr s THR 21 CO 0.02 0.37 0.05 -0.69 -0.54 0.00 0.00 174.62 173.83 1nzr s VAL 22 N -0.36 4.74 0.04 2.29 1.01 0.48 -4.93 120.40 123.67 1nzr s VAL 22 Ca 0.06 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1nzr s VAL 22 Cb -0.07 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1nzr s VAL 22 CO -0.00 0.58 1.10 -0.62 0.00 0.00 0.00 175.10 176.15 1nzr s ASP 23 N -0.64 7.22 0.58 3.32 -1.08 -1.26 -0.42 116.67 124.39 1nzr s ASP 23 Ca 0.11 1.87 0.28 0.00 -0.52 0.00 0.00 52.55 54.29 1nzr s ASP 23 Cb -0.12 -2.58 1.64 0.00 -1.46 0.00 0.00 42.92 40.41 1nzr s ASP 23 CO 0.02 -0.36 2.11 0.50 0.52 0.00 0.00 175.17 177.97 1nzr h LYS 24 N 6.66 0.00 0.00 4.34 1.63 -1.78 -0.02 116.57 127.40 1nzr h LYS 24 Ca -0.42 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1nzr h LYS 24 Cb 1.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1nzr h LYS 24 CO 0.78 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 177.21 1nzr n SER 25 N -3.88 0.36 -4.70 4.20 7.64 -1.26 -4.84 113.62 111.14 1nzr n SER 25 Ca 0.01 0.54 -0.42 0.00 1.01 0.00 0.00 58.87 60.02 1nzr n SER 25 Cb 0.30 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 62.83 1nzr n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nzr h LYS 27 N 6.90 0.34 -5.61 0.00 3.64 -1.88 -3.42 116.57 116.54 1nzr h LYS 27 Ca -0.38 -0.18 -0.62 0.00 -1.27 0.00 0.00 60.65 58.20 1nzr h LYS 27 Cb 1.20 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.90 1nzr h LYS 27 CO 0.79 0.73 -0.60 -0.65 -2.27 0.00 0.00 179.45 177.45 1nzr s GLN 28 N -4.30 1.95 -0.10 1.90 -0.21 -1.26 -1.62 119.66 116.01 1nzr s GLN 28 Ca -0.14 -2.11 -0.05 0.00 0.02 0.00 0.00 55.36 53.08 1nzr s GLN 28 Cb 0.05 -1.58 0.05 0.00 1.00 0.00 0.00 33.01 32.53 1nzr s GLN 28 CO 0.75 -0.07 0.23 0.12 -2.12 0.00 0.00 175.29 174.20 1nzr s PHE 29 N -2.76 -0.31 0.01 0.91 5.36 0.22 -4.73 117.98 116.68 1nzr s PHE 29 Ca 0.34 0.75 0.01 0.00 -0.96 0.00 0.00 56.93 57.06 1nzr s PHE 29 Cb 0.10 0.03 -0.04 0.00 -0.34 0.00 0.00 43.02 42.77 1nzr s PHE 29 CO 0.17 -0.23 0.06 0.99 -1.46 0.00 0.00 175.22 174.76 1nzr s THR 30 N 1.27 4.56 -0.14 0.12 2.01 -0.79 -1.52 115.64 121.15 1nzr s THR 30 Ca -0.09 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.43 1nzr s THR 30 Cb -0.11 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.33 1nzr s THR 30 CO -0.08 0.33 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.27 1nzr s VAL 31 N -1.19 2.08 -0.26 3.82 1.01 -0.62 -2.30 120.40 122.93 1nzr s VAL 31 Ca 0.23 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1nzr s VAL 31 Cb -0.12 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 1nzr s VAL 31 CO 0.14 0.55 0.05 0.20 0.00 0.00 0.00 175.10 176.04 1nzr s ASN 32 N 0.87 4.98 -0.09 3.32 0.01 -0.69 -1.79 114.94 121.53 1nzr s ASN 32 Ca -0.06 -0.38 0.01 0.00 -0.71 0.00 0.00 52.86 51.73 1nzr s ASN 32 Cb -0.15 -1.88 -0.02 0.00 0.41 0.00 0.00 41.25 39.61 1nzr s ASN 32 CO -0.03 -0.08 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.13 1nzr s LEU 33 N 1.56 2.77 0.19 0.60 2.96 -0.02 -1.37 118.68 125.37 1nzr s LEU 33 Ca 0.05 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1nzr s LEU 33 Cb -0.15 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 1nzr s LEU 33 CO 0.02 0.25 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.33 1nzr s SER 34 N -0.15 1.64 -0.40 3.68 1.04 -0.43 -1.89 113.70 117.18 1nzr s SER 34 Ca -0.00 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.30 1nzr s SER 34 Cb -0.13 0.03 0.12 0.00 0.10 0.00 0.00 66.02 66.14 1nzr s SER 34 CO 0.03 -0.47 0.18 -2.28 0.98 0.00 0.00 173.24 171.68 1nzr s HIS 35 N -3.46 2.09 0.80 5.02 2.46 -1.03 -1.91 115.29 119.26 1nzr s HIS 35 Ca 0.23 -2.30 -0.14 0.00 0.47 0.00 0.00 55.06 53.32 1nzr s HIS 35 Cb 0.05 -1.96 0.06 0.00 -0.13 0.00 0.00 32.58 30.60 1nzr s HIS 35 CO 0.05 -0.82 1.07 -0.35 -2.47 0.00 0.00 174.74 172.21 1nzr n PRO 36 N 3.97 0.19 0.00 2.88 -0.04 -1.24 -0.78 135.00 139.98 1nzr n PRO 36 Ca 0.05 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1nzr n PRO 36 Cb 0.37 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1nzr n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nzr n GLY 37 N 0.76 0.18 0.00 0.55 0.00 -1.26 -4.13 105.19 101.29 1nzr n GLY 37 Ca 0.13 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1nzr n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nzr n ASN 38 N 0.00 0.34 -4.82 1.61 4.13 -1.26 -4.46 115.26 110.80 1nzr n ASN 38 Ca 0.00 -0.75 -0.37 0.00 1.68 0.00 0.00 54.58 55.14 1nzr n ASN 38 Cb 0.00 0.17 -0.06 0.00 -1.54 0.00 0.00 39.78 38.35 1nzr n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1nzr s LEU 39 N -0.34 4.40 0.96 3.41 1.43 -1.26 -4.86 118.68 122.42 1nzr s LEU 39 Ca 0.00 1.27 -0.14 0.00 -1.03 0.00 0.00 54.13 54.24 1nzr s LEU 39 Cb 0.00 -3.28 0.17 0.00 0.03 0.00 0.00 46.19 43.11 1nzr s LEU 39 CO 0.00 0.13 1.15 -2.16 0.23 0.00 0.00 176.35 175.70 1nzr s PRO 40 N -1.70 0.72 0.31 1.29 0.04 -1.26 -1.66 135.00 132.75 1nzr s PRO 40 Ca 0.37 0.18 0.03 0.00 0.04 0.00 0.00 61.00 61.62 1nzr s PRO 40 Cb -0.17 -1.80 0.61 0.00 0.04 0.00 0.00 34.50 33.18 1nzr s PRO 40 CO 0.20 -2.46 1.90 -0.22 0.04 0.00 0.00 177.00 176.46 1nzr h LYS 41 N -1.68 0.90 0.00 4.56 3.64 -1.86 0.11 116.57 122.24 1nzr h LYS 41 Ca -0.49 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1nzr h LYS 41 Cb 1.32 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1nzr h LYS 41 CO 0.55 0.60 0.00 0.27 -2.27 0.00 0.00 179.45 178.60 1nzr n ASN 42 N -4.52 0.49 -0.06 4.20 6.94 -1.26 -1.43 115.26 119.61 1nzr n ASN 42 Ca 0.15 0.58 -0.07 0.00 -0.02 0.00 0.00 54.58 55.22 1nzr n ASN 42 Cb 0.28 -0.70 -0.09 0.00 -2.36 0.00 0.00 39.78 36.91 1nzr n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1nzr n VAL 43 N -2.00 0.83 -2.79 3.53 0.31 -0.95 -4.79 118.33 112.47 1nzr n VAL 43 Ca 0.04 -0.46 -0.02 0.00 -0.01 0.00 0.00 64.34 63.90 1nzr n VAL 43 Cb 0.31 -0.78 0.06 0.00 -0.91 0.00 0.00 33.84 32.51 1nzr n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1nzr n MET 44 N -2.58 1.59 -1.96 5.55 0.00 0.34 -5.02 117.12 115.04 1nzr n MET 44 Ca -0.21 -3.21 -0.41 0.00 0.00 0.00 0.00 57.70 53.86 1nzr n MET 44 Cb 0.86 -1.32 -0.01 0.00 0.00 0.00 0.00 33.22 32.74 1nzr n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1nzr s GLY 45 N -3.39 2.80 -0.06 -5.12 0.00 -0.52 -4.78 107.32 96.26 1nzr s GLY 45 Ca 0.25 1.41 0.02 0.00 0.00 0.00 0.00 44.72 46.40 1nzr s GLY 45 CO -0.04 2.14 -0.10 0.30 0.00 0.00 0.00 173.10 175.41 1nzr s HIS 46 N -0.85 1.20 0.23 1.90 3.76 -0.66 -4.68 115.29 116.18 1nzr s HIS 46 Ca 0.53 -0.41 0.09 0.00 -0.15 0.00 0.00 55.06 55.12 1nzr s HIS 46 Cb -0.43 -0.92 -0.05 0.00 1.11 0.00 0.00 32.58 32.30 1nzr s HIS 46 CO 0.54 -0.24 -0.17 0.54 -0.85 0.00 0.00 174.74 174.57 1nzr s ASN 47 N 0.72 2.93 -0.28 1.40 2.20 -1.26 -0.32 114.94 120.32 1nzr s ASN 47 Ca -0.13 -1.01 -0.03 0.00 -0.94 0.00 0.00 52.86 50.75 1nzr s ASN 47 Cb -0.15 -0.19 0.03 0.00 -2.00 0.00 0.00 41.25 38.94 1nzr s ASN 47 CO 0.02 -0.09 -0.00 -0.32 -2.94 0.00 0.00 177.10 173.77 1nzr s MET 48 N -3.53 2.70 -0.03 3.55 1.75 -1.26 -4.05 119.30 118.43 1nzr s MET 48 Ca 0.25 -1.08 0.04 0.00 -1.25 0.00 0.00 55.69 53.64 1nzr s MET 48 Cb -0.03 -3.16 -0.03 0.00 2.84 0.00 0.00 34.83 34.46 1nzr s MET 48 CO 0.10 -0.51 -0.14 0.08 -0.65 0.00 0.00 175.02 173.89 1nzr s VAL 49 N 1.33 3.05 -0.11 10.11 1.01 -0.68 -0.95 120.40 134.17 1nzr s VAL 49 Ca -0.02 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1nzr s VAL 49 Cb -0.18 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1nzr s VAL 49 CO -0.02 0.52 -0.19 -0.22 0.00 0.00 0.00 175.10 175.19 1nzr s LEU 50 N -0.95 1.91 0.00 3.92 2.96 0.82 -1.66 118.68 125.69 1nzr s LEU 50 Ca 0.13 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1nzr s LEU 50 Cb -0.11 -1.23 -0.00 0.00 0.50 0.00 0.00 46.19 45.35 1nzr s LEU 50 CO 0.02 0.08 0.21 -1.54 -1.32 0.00 0.00 176.35 173.80 1nzr n SER 51 N 3.91 -0.58 -4.83 3.68 3.41 -0.91 -0.30 113.62 118.00 1nzr n SER 51 Ca -0.20 -1.99 -0.31 0.00 -0.26 0.00 0.00 58.87 56.11 1nzr n SER 51 Cb 0.52 1.14 0.02 0.00 -0.26 0.00 0.00 64.21 65.63 1nzr n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1nzr s THR 52 N -2.64 4.20 0.39 6.66 -4.23 -1.26 -1.13 115.64 117.63 1nzr s THR 52 Ca 0.16 0.81 0.09 0.00 -1.18 0.00 0.00 61.69 61.57 1nzr s THR 52 Cb -0.00 -3.54 0.30 0.00 1.34 0.00 0.00 72.50 70.60 1nzr s THR 52 CO 0.12 -0.84 1.98 0.00 -0.54 0.00 0.00 174.62 175.34 1nzr h ALA 53 N -0.22 1.81 0.00 3.99 0.00 -1.26 -0.07 119.26 123.52 1nzr h ALA 53 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1nzr h ALA 53 Cb 1.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1nzr h ALA 53 CO 0.59 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.91 1nzr h ALA 54 N 1.66 1.00 -0.01 0.00 0.00 -1.93 -3.25 119.26 116.74 1nzr h ALA 54 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1nzr h ALA 54 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1nzr h ALA 54 CO -0.09 0.00 -0.74 -0.25 0.00 0.00 0.00 179.25 178.17 1nzr n ASP 55 N -2.96 1.35 0.09 0.00 8.00 -0.05 -4.56 116.55 118.42 1nzr n ASP 55 Ca 0.01 -1.13 -0.12 0.00 0.71 0.00 0.00 54.79 54.26 1nzr n ASP 55 Cb 0.32 0.72 -0.06 0.00 -0.02 0.00 0.00 41.12 42.08 1nzr n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1nzr h MET 56 N 0.95 -0.24 -0.05 -1.24 4.05 -1.57 -1.99 114.93 114.85 1nzr h MET 56 Ca 0.00 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1nzr h MET 56 Cb 0.59 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1nzr h MET 56 CO 0.00 -0.16 -0.00 0.37 0.23 0.00 0.00 176.91 177.35 1nzr h GLN 57 N -0.25 0.01 -0.99 0.39 5.75 -1.82 -0.41 115.11 117.79 1nzr h GLN 57 Ca 0.02 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1nzr h GLN 57 Cb 0.25 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.75 1nzr h GLN 57 CO -0.06 0.01 0.66 0.78 -2.65 0.00 0.00 178.83 177.57 1nzr h GLY 58 N 0.01 1.40 0.98 2.39 0.00 -1.84 0.22 103.07 106.23 1nzr h GLY 58 Ca 0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1nzr h GLY 58 CO -0.04 0.51 0.15 -2.08 0.00 0.00 0.00 176.54 175.08 1nzr h VAL 59 N 1.35 1.24 -0.10 4.60 2.07 -1.11 -0.05 116.25 124.24 1nzr h VAL 59 Ca 0.36 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1nzr h VAL 59 Cb -0.15 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1nzr h VAL 59 CO -0.08 0.30 0.02 0.58 0.02 0.00 0.00 177.57 178.41 1nzr h VAL 60 N 0.70 1.20 -0.08 2.57 2.07 0.01 0.29 116.25 123.03 1nzr h VAL 60 Ca 0.16 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1nzr h VAL 60 Cb 0.30 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1nzr h VAL 60 CO -0.00 0.18 -0.09 0.74 0.02 0.00 0.00 177.57 178.42 1nzr h THR 61 N -0.04 0.75 0.00 2.57 2.02 -0.49 -1.03 112.91 116.68 1nzr h THR 61 Ca 0.03 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.13 1nzr h THR 61 Cb 0.26 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1nzr h THR 61 CO 0.00 0.00 -0.41 0.44 0.37 0.00 0.00 175.52 175.92 1nzr h ASP 62 N -0.12 0.00 -0.28 4.18 3.32 -0.96 -2.11 116.42 120.44 1nzr h ASP 62 Ca 0.06 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1nzr h ASP 62 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1nzr h ASP 62 CO -0.15 0.41 0.12 1.23 -1.72 0.00 0.00 179.24 179.14 1nzr h GLY 63 N 1.32 0.45 0.71 2.75 0.00 -0.13 -2.48 103.07 105.69 1nzr h GLY 63 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.13 1nzr h GLY 63 CO 0.05 0.22 0.15 1.98 0.00 0.00 0.00 176.54 178.95 1nzr h MET 64 N 0.31 0.31 -1.00 4.80 1.85 -0.67 -2.80 114.93 117.74 1nzr h MET 64 Ca 0.10 -0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.24 1nzr h MET 64 Cb 0.15 -0.07 -0.07 0.00 0.43 0.00 0.00 31.60 32.05 1nzr h MET 64 CO -0.01 0.21 0.64 0.00 -0.40 0.00 0.00 176.91 177.35 1nzr h ALA 65 N 1.23 1.40 0.00 0.39 0.00 -1.29 -2.29 119.26 118.71 1nzr h ALA 65 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1nzr h ALA 65 Cb 0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1nzr h ALA 65 CO -0.16 0.41 -0.13 0.77 0.00 0.00 0.00 179.25 180.14 1nzr h SER 66 N 1.15 0.00 -3.85 0.00 0.02 -1.18 -3.49 113.55 106.20 1nzr h SER 66 Ca 0.44 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.41 1nzr h SER 66 Cb 0.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1nzr h SER 66 CO -0.18 0.13 -0.03 0.61 -1.14 0.00 0.00 176.83 176.21 1nzr n GLY 67 N -0.69 -2.15 0.22 -3.77 0.00 -0.86 -4.06 105.19 93.88 1nzr n GLY 67 Ca -0.02 -1.46 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 1nzr n GLY 67 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1nzr h LEU 68 N 0.00 0.32 -1.78 0.99 -0.00 -1.91 -0.75 115.31 112.18 1nzr h LEU 68 Ca 0.00 -0.10 0.04 0.00 -0.00 0.00 0.00 57.88 57.82 1nzr h LEU 68 Cb 0.09 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 1nzr h LEU 68 CO 0.00 0.59 0.23 -2.24 -0.00 0.00 0.00 178.44 177.02 1nzr h ASP 69 N 0.29 0.24 -0.54 0.17 2.03 -2.01 -0.74 116.42 115.86 1nzr h ASP 69 Ca 0.04 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 1nzr h ASP 69 Cb 0.62 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 1nzr h ASP 69 CO 0.04 0.17 0.00 0.29 -1.03 0.00 0.00 179.24 178.71 1nzr n LYS 70 N -4.48 3.44 -2.54 4.15 5.02 -0.50 -4.92 118.16 118.33 1nzr n LYS 70 Ca 0.04 -2.73 -0.19 0.00 -2.02 0.00 0.00 58.31 53.41 1nzr n LYS 70 Cb 0.21 -1.77 -0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1nzr n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1nzr n ASP 71 N 0.77 -5.22 -3.45 4.39 9.92 -0.28 -2.88 116.55 119.81 1nzr n ASP 71 Ca 0.23 -0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.23 1nzr n ASP 71 Cb 0.80 -4.35 0.03 0.00 -0.64 0.00 0.00 41.12 36.97 1nzr n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1nzr n TYR 72 N -3.88 -2.19 -4.00 1.24 4.01 -0.41 -4.82 117.16 107.12 1nzr n TYR 72 Ca -0.19 0.70 -0.17 0.00 -0.16 0.00 0.00 57.90 58.08 1nzr n TYR 72 Cb 0.65 -4.11 -0.16 0.00 -0.31 0.00 0.00 39.34 35.41 1nzr n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nzr s LEU 73 N -6.92 1.31 0.01 7.72 1.43 -1.14 -4.21 118.68 116.87 1nzr s LEU 73 Ca 0.48 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 1nzr s LEU 73 Cb -0.23 -0.26 -0.06 0.00 0.03 0.00 0.00 46.19 45.66 1nzr s LEU 73 CO 0.59 -0.07 1.54 -0.75 0.23 0.00 0.00 176.35 177.88 1nzr s LYS 74 N 0.85 4.23 0.38 1.70 2.20 -1.26 -4.89 119.74 122.96 1nzr s LYS 74 Ca -0.09 2.13 -0.28 0.00 -0.36 0.00 0.00 55.97 57.37 1nzr s LYS 74 Cb -0.12 -3.66 -0.11 0.00 -1.51 0.00 0.00 37.83 32.42 1nzr s LYS 74 CO -0.01 -0.69 1.49 -2.14 -0.36 0.00 0.00 175.35 173.65 1nzr s PRO 75 N 2.81 4.08 -1.48 4.03 0.02 -1.26 -1.62 135.00 141.59 1nzr s PRO 75 Ca 0.69 2.59 -0.07 0.00 0.02 0.00 0.00 61.00 64.23 1nzr s PRO 75 Cb -0.35 -2.95 0.02 0.00 0.02 0.00 0.00 34.50 31.24 1nzr s PRO 75 CO 0.29 -0.56 0.76 -0.25 -0.33 0.00 0.00 177.00 176.91 1nzr n ASP 76 N 0.42 -5.84 -4.70 2.53 8.00 -1.26 -4.88 116.55 110.81 1nzr n ASP 76 Ca 0.01 -0.39 -0.42 0.00 0.71 0.00 0.00 54.79 54.70 1nzr n ASP 76 Cb 0.39 -4.69 -0.03 0.00 -0.02 0.00 0.00 41.12 36.77 1nzr n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nzr s ASP 77 N -2.89 6.69 0.24 -2.24 -1.08 -0.64 -4.84 116.67 111.91 1nzr s ASP 77 Ca 0.41 2.41 0.26 0.00 -0.52 0.00 0.00 52.55 55.10 1nzr s ASP 77 Cb -0.19 -2.57 0.77 0.00 -1.46 0.00 0.00 42.92 39.47 1nzr s ASP 77 CO 0.51 -0.79 1.76 0.77 0.52 0.00 0.00 175.17 177.93 1nzr h SER 78 N 7.60 0.00 0.77 -0.34 4.64 -1.90 -3.06 113.55 121.27 1nzr h SER 78 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1nzr h SER 78 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1nzr h SER 78 CO 0.91 0.00 -0.04 0.54 -0.87 0.00 0.00 176.83 177.37 1nzr n ARG 79 N -2.37 0.20 -3.02 4.77 1.74 -1.26 -4.81 116.66 111.91 1nzr n ARG 79 Ca 0.05 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 1nzr n ARG 79 Cb 0.43 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 1nzr n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1nzr s VAL 80 N -2.81 4.79 0.18 1.55 1.01 -1.16 -4.46 120.40 119.50 1nzr s VAL 80 Ca 0.20 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 1nzr s VAL 80 Cb 0.19 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1nzr s VAL 80 CO 0.51 -0.42 1.44 0.40 0.00 0.00 0.00 175.10 177.03 1nzr h ILE 81 N 5.75 1.39 -2.03 2.22 2.04 -0.97 -3.48 117.51 122.42 1nzr h ILE 81 Ca -0.25 -2.16 0.11 0.00 1.00 0.00 0.00 64.86 63.56 1nzr h ILE 81 Cb 1.10 2.12 -0.18 0.00 -0.74 0.00 0.00 36.82 39.13 1nzr h ILE 81 CO 0.89 0.65 0.52 0.00 0.00 0.00 0.00 178.15 180.21 1nzr s ALA 82 N -3.60 -1.87 -0.17 1.87 0.00 -1.20 -4.98 121.76 111.80 1nzr s ALA 82 Ca -0.05 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.83 1nzr s ALA 82 Cb 0.11 0.08 0.10 0.00 0.00 0.00 0.00 23.12 23.41 1nzr s ALA 82 CO 0.84 -0.58 0.88 -3.38 0.00 0.00 0.00 175.76 173.52 1nzr s HIS 83 N -2.51 -0.53 0.84 0.00 -3.43 -1.25 -0.12 115.29 108.28 1nzr s HIS 83 Ca 0.03 1.05 -0.07 0.00 -0.80 0.00 0.00 55.06 55.28 1nzr s HIS 83 Cb -0.01 0.40 0.18 0.00 -1.43 0.00 0.00 32.58 31.71 1nzr s HIS 83 CO -0.06 -0.40 1.15 0.95 -2.00 0.00 0.00 174.74 174.39 1nzr s THR 84 N -0.64 2.01 0.95 -5.38 -4.23 -0.13 -4.88 115.64 103.34 1nzr s THR 84 Ca -0.03 -0.38 -0.13 0.00 -1.18 0.00 0.00 61.69 59.97 1nzr s THR 84 Cb -0.02 -2.63 0.16 0.00 1.34 0.00 0.00 72.50 71.35 1nzr s THR 84 CO 0.02 0.00 1.13 -0.54 -0.54 0.00 0.00 174.62 174.69 1nzr s LYS 85 N -5.48 0.80 -0.20 3.99 1.02 -1.26 -4.66 119.74 113.95 1nzr s LYS 85 Ca 0.71 0.28 -0.25 0.00 0.02 0.00 0.00 55.97 56.73 1nzr s LYS 85 Cb -0.03 -1.80 -0.01 0.00 -0.52 0.00 0.00 37.83 35.47 1nzr s LYS 85 CO 0.48 -2.42 0.85 -1.17 -0.92 0.00 0.00 175.35 172.17 1nzr s LEU 86 N -6.18 4.13 0.27 3.17 2.96 -1.26 -4.40 118.68 117.37 1nzr s LEU 86 Ca 0.65 1.13 0.11 0.00 -0.22 0.00 0.00 54.13 55.80 1nzr s LEU 86 Cb -0.15 -3.24 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 1nzr s LEU 86 CO 0.54 -0.46 -0.08 0.27 -1.32 0.00 0.00 176.35 175.30 1nzr s ILE 87 N 2.50 3.05 0.55 6.68 -4.36 0.56 -4.83 121.20 125.35 1nzr s ILE 87 Ca 0.37 -2.12 0.06 0.00 -0.26 0.00 0.00 60.65 58.71 1nzr s ILE 87 Cb -0.16 -2.62 0.05 0.00 1.25 0.00 0.00 42.46 40.98 1nzr s ILE 87 CO 0.10 -0.38 0.50 -0.83 0.24 0.00 0.00 174.94 174.57 1nzr s GLY 88 N -3.61 2.22 0.42 6.27 0.00 -1.26 -1.66 107.32 109.70 1nzr s GLY 88 Ca 0.31 -1.47 -0.26 0.00 0.00 0.00 0.00 44.72 43.30 1nzr s GLY 88 CO 0.18 -1.88 1.45 -1.14 0.00 0.00 0.00 173.10 171.71 1nzr n SER 89 N -1.89 3.50 0.00 1.64 3.41 -0.66 -2.02 113.62 117.59 1nzr n SER 89 Ca 0.03 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 1nzr n SER 89 Cb 0.64 -1.61 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 1nzr n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nzr n GLY 90 N 0.53 2.21 3.98 5.00 0.00 0.04 -4.93 105.19 112.02 1nzr n GLY 90 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1nzr n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nzr s GLU 91 N -0.28 3.31 0.03 1.61 2.02 -0.86 -4.93 118.70 119.60 1nzr s GLU 91 Ca 0.00 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.19 1nzr s GLU 91 Cb 0.00 -2.84 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 1nzr s GLU 91 CO 0.00 0.25 -0.06 0.21 0.02 0.00 0.00 175.26 175.68 1nzr s LYS 92 N -4.10 0.44 -0.07 1.61 2.47 -1.26 -2.47 119.74 116.36 1nzr s LYS 92 Ca 0.39 -0.70 -0.30 0.00 -1.56 0.00 0.00 55.97 53.80 1nzr s LYS 92 Cb -0.09 -0.11 0.07 0.00 -1.46 0.00 0.00 37.83 36.23 1nzr s LYS 92 CO 0.31 0.01 0.66 0.34 0.16 0.00 0.00 175.35 176.82 1nzr s ASP 93 N -1.55 -0.64 0.23 1.43 2.15 -0.79 -5.02 116.67 112.47 1nzr s ASP 93 Ca -0.12 0.75 0.07 0.00 0.43 0.00 0.00 52.55 53.68 1nzr s ASP 93 Cb -0.10 0.61 -0.05 0.00 -0.30 0.00 0.00 42.92 43.08 1nzr s ASP 93 CO -0.00 -0.57 -0.10 -0.44 -0.17 0.00 0.00 175.17 173.89 1nzr s SER 94 N -1.06 2.55 -0.06 -0.34 0.01 -1.26 -0.84 113.70 112.70 1nzr s SER 94 Ca -0.10 -1.09 -0.03 0.00 1.31 0.00 0.00 55.95 56.04 1nzr s SER 94 Cb -0.01 -0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.13 1nzr s SER 94 CO 0.09 -0.26 0.13 0.54 0.41 0.00 0.00 173.24 174.15 1nzr s VAL 95 N -3.03 -0.13 -0.11 3.43 0.11 -0.74 -4.88 120.40 115.05 1nzr s VAL 95 Ca 0.25 0.27 -0.02 0.00 -2.93 0.00 0.00 61.98 59.55 1nzr s VAL 95 Cb 0.01 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1nzr s VAL 95 CO 0.08 0.11 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.06 1nzr s THR 96 N 1.62 4.12 0.12 5.04 2.01 -1.26 -1.59 115.64 125.70 1nzr s THR 96 Ca -0.04 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.69 1nzr s THR 96 Cb -0.12 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1nzr s THR 96 CO -0.05 0.57 -0.09 0.72 -0.69 0.00 0.00 174.62 175.07 1nzr s PHE 97 N -0.47 1.13 -0.01 4.92 -0.12 -0.57 -4.93 117.98 117.93 1nzr s PHE 97 Ca 0.08 -0.77 -0.30 0.00 -0.05 0.00 0.00 56.93 55.89 1nzr s PHE 97 Cb -0.12 -0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 41.63 1nzr s PHE 97 CO 0.02 0.01 1.17 -0.51 -0.05 0.00 0.00 175.22 175.86 1nzr s ASP 98 N -2.96 7.10 0.49 1.98 1.01 -1.26 -0.61 116.67 122.42 1nzr s ASP 98 Ca 0.13 1.86 0.25 0.00 0.71 0.00 0.00 52.55 55.50 1nzr s ASP 98 Cb 0.02 -2.57 1.25 0.00 1.01 0.00 0.00 42.92 42.63 1nzr s ASP 98 CO -0.01 -0.50 1.99 0.58 0.21 0.00 0.00 175.17 177.44 1nzr h VAL 99 N 4.80 0.65 0.00 -1.27 2.07 -1.55 -2.48 116.25 118.47 1nzr h VAL 99 Ca -0.38 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 1nzr h VAL 99 Cb 1.19 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1nzr h VAL 99 CO 0.84 0.17 -0.01 0.77 0.02 0.00 0.00 177.57 179.35 1nzr h SER 100 N 0.00 0.00 0.00 0.57 4.64 -1.88 0.43 113.55 117.31 1nzr h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nzr h SER 100 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1nzr h SER 100 CO 0.02 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 1nzr n LYS 101 N -3.37 0.56 -5.20 4.77 5.02 -0.93 -4.73 118.16 114.28 1nzr n LYS 101 Ca -0.03 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.95 1nzr n LYS 101 Cb 0.11 -1.34 -0.17 0.00 -0.02 0.00 0.00 35.03 33.61 1nzr n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nzr s LEU 102 N -1.68 2.06 0.34 -0.35 1.43 0.14 -5.12 118.68 115.51 1nzr s LEU 102 Ca 0.18 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 1nzr s LEU 102 Cb 0.08 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 1nzr s LEU 102 CO 0.14 0.18 0.63 -0.54 0.23 0.00 0.00 176.35 176.99 1nzr s LYS 103 N 0.19 3.66 0.67 1.70 1.02 -1.26 -5.05 119.74 120.66 1nzr s LYS 103 Ca -0.14 0.13 -0.14 0.00 0.02 0.00 0.00 55.97 55.84 1nzr s LYS 103 Cb -0.17 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1nzr s LYS 103 CO 0.07 0.11 1.09 -1.21 -0.92 0.00 0.00 175.35 174.49 1nzr s GLU 104 N -3.76 2.84 -1.31 1.68 2.02 -1.26 -3.95 118.70 114.96 1nzr s GLU 104 Ca 0.46 1.25 -0.06 0.00 0.02 0.00 0.00 54.97 56.64 1nzr s GLU 104 Cb -0.10 -1.97 0.01 0.00 0.10 0.00 0.00 34.13 32.17 1nzr s GLU 104 CO 0.32 -1.20 1.07 0.41 0.02 0.00 0.00 175.26 175.88 1nzr n GLY 105 N -0.94 -0.46 3.05 -1.39 0.00 -1.26 -5.00 105.19 99.19 1nzr n GLY 105 Ca 0.09 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 1nzr n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nzr s GLU 106 N -5.98 0.20 -0.13 1.61 2.12 -1.25 -5.14 118.70 110.13 1nzr s GLU 106 Ca 0.35 0.26 -0.18 0.00 0.36 0.00 0.00 54.97 55.76 1nzr s GLU 106 Cb -0.16 0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.28 1nzr s GLU 106 CO 0.74 -0.03 0.46 -0.65 -0.54 0.00 0.00 175.26 175.24 1nzr s GLN 107 N 0.15 4.32 0.29 4.30 -1.52 -1.26 -4.83 119.66 121.11 1nzr s GLN 107 Ca -0.00 0.41 0.11 0.00 -1.95 0.00 0.00 55.36 53.92 1nzr s GLN 107 Cb -0.02 -3.45 -0.05 0.00 -0.22 0.00 0.00 33.01 29.28 1nzr s GLN 107 CO -0.00 0.14 -0.14 0.71 -0.25 0.00 0.00 175.29 175.75 1nzr s TYR 108 N 0.69 2.39 -0.03 0.91 2.02 -1.18 -0.84 117.35 121.31 1nzr s TYR 108 Ca 0.25 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.62 1nzr s TYR 108 Cb -0.15 -1.11 0.02 0.00 -0.40 0.00 0.00 41.96 40.32 1nzr s TYR 108 CO 0.10 0.67 -0.03 -1.64 -1.57 0.00 0.00 175.55 173.07 1nzr s MET 109 N -3.57 0.60 0.04 -0.62 -1.94 -0.28 -1.49 119.30 112.03 1nzr s MET 109 Ca 0.31 -0.07 0.01 0.00 -1.71 0.00 0.00 55.69 54.23 1nzr s MET 109 Cb -0.04 -0.65 -0.04 0.00 2.01 0.00 0.00 34.83 36.12 1nzr s MET 109 CO 0.16 -0.05 0.08 -0.59 -0.01 0.00 0.00 175.02 174.61 1nzr s PHE 110 N 0.72 3.25 0.20 -0.03 -0.71 -0.63 -2.14 117.98 118.64 1nzr s PHE 110 Ca -0.09 0.14 -0.23 0.00 -1.04 0.00 0.00 56.93 55.71 1nzr s PHE 110 Cb -0.12 -1.68 0.05 0.00 -1.21 0.00 0.00 43.02 40.06 1nzr s PHE 110 CO -0.00 0.54 0.85 -0.59 -1.34 0.00 0.00 175.22 174.68 1nzr s PHE 111 N -1.29 -0.17 -0.13 3.49 -0.71 -0.67 -1.85 117.98 116.65 1nzr s PHE 111 Ca 0.26 -0.19 -0.01 0.00 -1.04 0.00 0.00 56.93 55.95 1nzr s PHE 111 Cb -0.12 0.66 -0.02 0.00 -1.21 0.00 0.00 43.02 42.33 1nzr s PHE 111 CO 0.18 -0.99 -0.08 0.00 -1.34 0.00 0.00 175.22 172.99 1nzr n THR 113 N 3.28 0.14 -1.68 0.00 -2.24 -1.26 -3.44 114.28 109.08 1nzr n THR 113 Ca -0.18 -0.41 -0.45 0.00 -2.27 0.00 0.00 64.05 60.75 1nzr n THR 113 Cb 0.53 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.47 1nzr n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1nzr n PHE 114 N 0.66 2.24 -1.51 4.78 -0.00 -1.26 -4.58 117.46 117.79 1nzr n PHE 114 Ca 0.17 0.40 -0.56 0.00 -0.00 0.00 0.00 57.45 57.46 1nzr n PHE 114 Cb 0.44 -2.48 -0.08 0.00 -0.00 0.00 0.00 39.48 37.35 1nzr n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1nzr n PRO 115 N 2.19 0.83 0.00 -7.13 -0.02 -1.26 -1.34 135.00 128.27 1nzr n PRO 115 Ca 0.12 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1nzr n PRO 115 Cb 0.32 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1nzr n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nzr n GLY 116 N 5.82 3.02 0.15 -1.23 0.00 -1.26 -4.91 105.19 106.79 1nzr n GLY 116 Ca 0.39 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.42 1nzr n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1nzr h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.49 -3.25 115.15 115.88 1nzr h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1nzr h HIS 117 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1nzr h HIS 117 CO 0.00 0.54 0.00 0.66 0.86 0.00 0.00 177.93 179.99 1nzr h SER 118 N 0.00 0.00 -0.74 2.45 4.64 -1.74 0.54 113.55 118.71 1nzr h SER 118 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1nzr h SER 118 Cb 1.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 1nzr h SER 118 CO 0.07 0.00 0.32 0.00 -0.87 0.00 0.00 176.83 176.35 1nzr h ALA 119 N 2.25 1.15 0.01 5.18 0.00 -1.91 -3.29 119.26 122.64 1nzr h ALA 119 Ca 0.00 -0.17 -0.37 0.00 0.00 0.00 0.00 54.91 54.36 1nzr h ALA 119 Cb 0.40 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1nzr h ALA 119 CO 0.00 0.62 -2.35 1.28 0.00 0.00 0.00 179.25 178.80 1nzr n LEU 120 N -4.30 1.16 -4.27 0.00 7.99 -0.27 -4.80 117.00 112.51 1nzr n LEU 120 Ca 0.07 -0.01 -0.43 0.00 -0.01 0.00 0.00 56.01 55.63 1nzr n LEU 120 Cb 0.17 -0.06 -0.03 0.00 -0.11 0.00 0.00 43.42 43.39 1nzr n LEU 120 CO 0.40 0.65 0.49 -0.04 -1.51 0.00 0.00 177.39 177.39 1nzr s MET 121 N -2.51 3.64 0.03 3.23 -1.94 0.17 -4.81 119.30 117.11 1nzr s MET 121 Ca -0.18 -2.89 -0.26 0.00 -1.71 0.00 0.00 55.69 50.65 1nzr s MET 121 Cb 0.07 -4.31 0.06 0.00 2.01 0.00 0.00 34.83 32.66 1nzr s MET 121 CO 0.75 -1.25 0.59 -1.59 -0.01 0.00 0.00 175.02 173.51 1nzr s LYS 122 N -0.65 1.08 0.38 2.03 0.00 -1.26 -2.39 119.74 118.93 1nzr s LYS 122 Ca 0.24 -0.08 -0.16 0.00 0.00 0.00 0.00 55.97 55.98 1nzr s LYS 122 Cb -0.11 0.50 0.05 0.00 0.00 0.00 0.00 37.83 38.27 1nzr s LYS 122 CO -0.09 -0.38 0.78 0.20 0.00 0.00 0.00 175.35 175.86 1nzr s GLY 123 N -1.78 0.37 0.00 0.59 0.00 -0.77 -4.84 107.32 100.89 1nzr s GLY 123 Ca -0.07 -0.74 -0.00 0.00 0.00 0.00 0.00 44.72 43.91 1nzr s GLY 123 CO 0.01 -0.32 0.08 -0.51 0.00 0.00 0.00 173.10 172.36 1nzr s THR 124 N -2.45 4.68 0.04 0.90 -4.23 -0.62 -1.61 115.64 112.36 1nzr s THR 124 Ca 0.16 -0.45 0.06 0.00 -1.18 0.00 0.00 61.69 60.28 1nzr s THR 124 Cb -0.05 -3.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 1nzr s THR 124 CO 0.11 0.34 -0.16 -0.22 -0.54 0.00 0.00 174.62 174.15 1nzr s LEU 125 N -1.77 2.73 -0.01 4.79 0.20 -0.56 -0.76 118.68 123.31 1nzr s LEU 125 Ca 0.23 -0.38 -0.10 0.00 0.69 0.00 0.00 54.13 54.58 1nzr s LEU 125 Cb -0.12 -1.59 0.01 0.00 -0.43 0.00 0.00 46.19 44.06 1nzr s LEU 125 CO 0.14 0.25 0.20 0.28 -0.29 0.00 0.00 176.35 176.93 1nzr s THR 126 N -0.96 0.07 0.50 3.68 -1.32 -0.92 -3.08 115.64 113.62 1nzr s THR 126 Ca 0.16 -0.59 -0.19 0.00 -1.21 0.00 0.00 61.69 59.86 1nzr s THR 126 Cb -0.11 -0.48 -0.08 0.00 -1.51 0.00 0.00 72.50 70.32 1nzr s THR 126 CO 0.06 -0.32 1.02 -0.76 -2.21 0.00 0.00 174.62 172.41 1nzr s LEU 127 N -1.29 3.75 0.00 9.08 1.43 -1.26 -0.39 118.68 130.01 1nzr s LEU 127 Ca -0.14 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 1nzr s LEU 127 Cb -0.07 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.61 1nzr s LEU 127 CO 0.02 -0.76 0.00 1.17 0.23 0.00 0.00 176.35 177.01