#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 0.00 -1.24 0.00 4.07 -1.26 -3.12 120.64 119.09 1nzr n GLU 2 Ca 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 1nzr n GLU 2 Cb 0.00 0.00 0.13 0.00 -0.06 0.00 0.00 31.44 31.51 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 -2.61 0.24 -0.00 0.00 1.04 -1.18 -0.35 113.70 110.83 1nzr s SER 4 Ca 0.51 -0.73 -0.13 0.00 0.48 0.00 0.00 55.95 56.08 1nzr s SER 4 Cb 0.43 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.84 1nzr s SER 4 CO 0.01 -0.64 0.28 0.54 0.98 0.00 0.00 173.24 174.41 1nzr s VAL 5 N -3.60 0.07 -0.21 5.02 0.11 -0.41 -4.80 120.40 116.56 1nzr s VAL 5 Ca 0.03 -0.56 -0.06 0.00 -2.93 0.00 0.00 61.98 58.47 1nzr s VAL 5 Cb 0.05 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 1nzr s VAL 5 CO -0.09 -0.31 0.03 -1.81 -3.33 0.00 0.00 175.10 169.58 1nzr s ASP 6 N -1.48 4.98 0.03 3.54 1.01 -1.26 -0.75 116.67 122.75 1nzr s ASP 6 Ca -0.12 -0.18 0.07 0.00 0.71 0.00 0.00 52.55 53.02 1nzr s ASP 6 Cb -0.05 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 41.99 1nzr s ASP 6 CO 0.02 0.04 -0.18 -0.63 0.21 0.00 0.00 175.17 174.64 1nzr s ILE 7 N 1.14 2.78 -0.01 0.77 -1.09 0.75 -4.97 121.20 120.56 1nzr s ILE 7 Ca 0.03 -1.15 0.05 0.00 -2.23 0.00 0.00 60.65 57.35 1nzr s ILE 7 Cb -0.14 -2.16 -0.01 0.00 -1.58 0.00 0.00 42.46 38.57 1nzr s ILE 7 CO 0.02 0.36 -0.16 -1.10 -1.23 0.00 0.00 174.94 172.83 1nzr s GLN 8 N -1.36 1.30 -0.09 2.79 -0.21 -1.26 -0.75 119.66 120.08 1nzr s GLN 8 Ca 0.14 -0.56 0.03 0.00 0.02 0.00 0.00 55.36 54.99 1nzr s GLN 8 Cb -0.10 -1.25 0.01 0.00 1.00 0.00 0.00 33.01 32.66 1nzr s GLN 8 CO 0.05 0.33 -0.19 0.20 -2.12 0.00 0.00 175.29 173.56 1nzr s GLY 9 N -0.34 1.11 0.00 3.09 0.00 -0.76 -1.99 107.32 108.43 1nzr s GLY 9 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1nzr s GLY 9 CO -0.00 -0.15 0.00 1.16 0.00 0.00 0.00 173.10 174.10 1nzr n ASN 10 N 3.63 1.13 -0.04 1.64 0.23 -0.82 -3.91 115.26 117.13 1nzr n ASN 10 Ca -0.21 -0.88 0.16 0.00 -0.53 0.00 0.00 54.58 53.13 1nzr n ASN 10 Cb 0.52 0.00 0.91 0.00 -2.08 0.00 0.00 39.78 39.13 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 -1.64 0.12 -0.85 0.53 8.00 -1.24 -3.12 116.55 118.35 1nzr n ASP 11 Ca 0.00 -1.00 0.11 0.00 0.71 0.00 0.00 54.79 54.61 1nzr n ASP 11 Cb 0.00 -0.01 0.29 0.00 -0.02 0.00 0.00 41.12 41.38 1nzr n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nzr n GLN 12 N -0.92 2.11 -3.14 -1.24 1.13 -1.26 -4.94 117.38 109.13 1nzr n GLN 12 Ca 0.23 -1.67 -0.14 0.00 -1.94 0.00 0.00 57.00 53.48 1nzr n GLN 12 Cb 0.14 -1.45 0.06 0.00 0.11 0.00 0.00 30.24 29.10 1nzr n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1nzr n MET 13 N 0.89 -5.15 -4.18 -1.09 0.00 -1.18 -5.05 117.12 101.36 1nzr n MET 13 Ca 0.17 0.60 -0.11 0.00 -0.00 0.00 0.00 57.70 58.36 1nzr n MET 13 Cb 0.46 -4.90 -0.10 0.00 0.00 0.00 0.00 33.22 28.69 1nzr n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1nzr s GLN 14 N -5.41 0.87 0.09 2.12 -0.21 -1.26 -4.33 119.66 111.54 1nzr s GLN 14 Ca 0.19 -1.37 0.04 0.00 0.02 0.00 0.00 55.36 54.25 1nzr s GLN 14 Cb -0.08 -0.16 -0.04 0.00 1.00 0.00 0.00 33.01 33.72 1nzr s GLN 14 CO 0.52 -0.06 0.04 -0.06 -2.12 0.00 0.00 175.29 173.60 1nzr s PHE 15 N -3.68 3.07 -1.62 0.91 0.08 -1.26 -1.94 117.98 113.54 1nzr s PHE 15 Ca 0.14 0.01 0.17 0.00 0.12 0.00 0.00 56.93 57.37 1nzr s PHE 15 Cb 0.06 -1.56 0.91 0.00 -0.57 0.00 0.00 43.02 41.86 1nzr s PHE 15 CO -0.03 0.50 1.47 0.27 -0.10 0.00 0.00 175.22 177.33 1nzr n ASN 16 N 0.45 0.00 -3.67 1.36 6.94 -0.84 -4.81 115.26 114.69 1nzr n ASN 16 Ca -0.10 -0.15 -0.11 0.00 -0.02 0.00 0.00 54.58 54.20 1nzr n ASN 16 Cb 0.52 -0.19 -0.05 0.00 -2.36 0.00 0.00 39.78 37.70 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 -2.38 0.07 -0.08 5.53 -1.32 -1.26 -5.02 115.64 111.18 1nzr s THR 17 Ca 0.19 -0.60 0.13 0.00 -1.21 0.00 0.00 61.69 60.20 1nzr s THR 17 Cb 0.11 -1.11 0.24 0.00 -1.51 0.00 0.00 72.50 70.24 1nzr s THR 17 CO 0.24 -0.33 1.12 0.59 -2.21 0.00 0.00 174.62 174.02 1nzr n ASN 18 N 0.03 1.25 -3.63 8.08 4.13 -1.26 -4.84 115.26 119.02 1nzr n ASN 18 Ca -0.17 -2.70 -0.04 0.00 1.68 0.00 0.00 54.58 53.35 1nzr n ASN 18 Cb 0.62 -0.35 -0.06 0.00 -1.54 0.00 0.00 39.78 38.45 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 -1.53 -2.09 -0.05 5.41 0.00 -1.26 -2.17 121.76 120.08 1nzr s ALA 19 Ca 0.23 2.32 0.04 0.00 0.00 0.00 0.00 51.96 54.55 1nzr s ALA 19 Cb 0.22 -1.60 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 1nzr s ALA 19 CO -0.03 -0.44 -0.16 0.42 0.00 0.00 0.00 175.76 175.55 1nzr s ILE 20 N 1.65 1.34 -0.09 0.00 1.01 -0.89 -4.98 121.20 119.25 1nzr s ILE 20 Ca -0.09 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1nzr s ILE 20 Cb -0.05 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 1nzr s ILE 20 CO -0.18 0.39 -0.22 0.42 0.00 0.00 0.00 174.94 175.35 1nzr s THR 21 N 0.13 2.24 -0.08 2.92 -4.23 -1.26 -1.98 115.64 113.38 1nzr s THR 21 Ca -0.05 -0.97 -0.17 0.00 -1.18 0.00 0.00 61.69 59.31 1nzr s THR 21 Cb -0.12 -1.85 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 1nzr s THR 21 CO 0.02 0.56 0.44 -0.69 -0.54 0.00 0.00 174.62 174.42 1nzr s VAL 22 N 0.10 5.13 0.12 2.29 1.01 0.16 -4.93 120.40 124.29 1nzr s VAL 22 Ca -0.11 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 62.47 1nzr s VAL 22 Cb -0.16 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1nzr s VAL 22 CO 0.06 0.41 0.92 -0.62 0.00 0.00 0.00 175.10 175.87 1nzr s ASP 23 N 0.06 7.47 0.55 3.32 2.15 -1.26 -0.26 116.67 128.70 1nzr s ASP 23 Ca 0.24 1.75 0.29 0.00 0.43 0.00 0.00 52.55 55.26 1nzr s ASP 23 Cb -0.16 -2.57 1.46 0.00 -0.30 0.00 0.00 42.92 41.36 1nzr s ASP 23 CO 0.11 -0.01 1.94 0.50 -0.17 0.00 0.00 175.17 177.54 1nzr h LYS 24 N 5.32 0.00 0.00 4.34 3.64 -1.17 -0.81 116.57 127.89 1nzr h LYS 24 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1nzr h LYS 24 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1nzr h LYS 24 CO 0.71 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.76 1nzr n SER 25 N -4.15 0.00 -4.76 4.20 3.41 -1.26 -4.83 113.62 106.24 1nzr n SER 25 Ca 0.12 0.46 -0.40 0.00 -0.26 0.00 0.00 58.87 58.79 1nzr n SER 25 Cb 0.74 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1nzr n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nzr h LYS 27 N 3.80 0.43 -4.78 0.00 6.56 -1.89 -3.42 116.57 117.26 1nzr h LYS 27 Ca -0.47 -0.73 -0.26 0.00 -1.06 0.00 0.00 60.65 58.13 1nzr h LYS 27 Cb 1.21 0.27 -0.15 0.00 -0.57 0.00 0.00 32.23 33.00 1nzr h LYS 27 CO 0.67 1.34 -0.69 1.14 -2.06 0.00 0.00 179.45 179.85 1nzr s GLN 28 N -2.59 0.96 -0.01 3.15 -2.07 -1.26 -1.44 119.66 116.40 1nzr s GLN 28 Ca -0.14 -1.42 0.01 0.00 -1.82 0.00 0.00 55.36 51.99 1nzr s GLN 28 Cb 0.05 -0.32 0.01 0.00 -1.09 0.00 0.00 33.01 31.66 1nzr s GLN 28 CO 0.88 -0.03 -0.01 0.12 -1.32 0.00 0.00 175.29 174.93 1nzr s PHE 29 N -3.57 0.20 -0.06 9.60 5.36 0.28 -4.77 117.98 125.04 1nzr s PHE 29 Ca 0.16 -0.02 0.03 0.00 -0.96 0.00 0.00 56.93 56.14 1nzr s PHE 29 Cb 0.05 -0.19 -0.03 0.00 -0.34 0.00 0.00 43.02 42.52 1nzr s PHE 29 CO -0.01 -0.03 -0.12 0.99 -1.46 0.00 0.00 175.22 174.58 1nzr s THR 30 N 0.24 3.22 -0.21 0.12 2.01 0.52 -0.74 115.64 120.79 1nzr s THR 30 Ca -0.02 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1nzr s THR 30 Cb -0.04 -2.28 0.04 0.00 0.01 0.00 0.00 72.50 70.23 1nzr s THR 30 CO -0.01 0.59 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.67 1nzr s VAL 31 N -0.69 2.07 -0.40 3.82 1.01 -0.50 -1.29 120.40 124.42 1nzr s VAL 31 Ca 0.11 -1.23 -0.20 0.00 0.00 0.00 0.00 61.98 60.66 1nzr s VAL 31 Cb -0.11 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1nzr s VAL 31 CO 0.01 0.28 0.60 0.20 0.00 0.00 0.00 175.10 176.19 1nzr s ASN 32 N 1.22 6.34 -0.09 3.32 0.01 0.08 -1.85 114.94 123.96 1nzr s ASN 32 Ca -0.01 -0.17 -0.02 0.00 -0.71 0.00 0.00 52.86 51.95 1nzr s ASN 32 Cb -0.16 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 1nzr s ASN 32 CO -0.09 -0.66 -0.02 -0.22 -1.51 0.00 0.00 177.10 174.60 1nzr s LEU 33 N 2.66 3.44 0.12 0.60 2.96 0.08 -0.18 118.68 128.36 1nzr s LEU 33 Ca 0.22 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 1nzr s LEU 33 Cb -0.15 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1nzr s LEU 33 CO 0.16 0.34 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.52 1nzr s SER 34 N -0.67 1.40 -0.47 3.68 1.04 0.07 -1.03 113.70 117.71 1nzr s SER 34 Ca 0.11 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.55 1nzr s SER 34 Cb -0.12 0.05 0.13 0.00 0.10 0.00 0.00 66.02 66.19 1nzr s SER 34 CO 0.02 -0.41 0.24 -2.28 0.98 0.00 0.00 173.24 171.79 1nzr s HIS 35 N -3.51 2.52 0.42 5.02 2.46 -0.92 -1.83 115.29 119.45 1nzr s HIS 35 Ca 0.14 -2.76 -0.25 0.00 0.47 0.00 0.00 55.06 52.66 1nzr s HIS 35 Cb 0.04 -2.31 -0.10 0.00 -0.13 0.00 0.00 32.58 30.08 1nzr s HIS 35 CO -0.02 -0.77 1.18 -0.35 -2.47 0.00 0.00 174.74 172.31 1nzr n PRO 36 N 3.36 1.72 0.00 2.88 -0.04 -1.25 -1.58 135.00 140.09 1nzr n PRO 36 Ca 0.07 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 1nzr n PRO 36 Cb 0.33 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 0.94 0.75 0.00 0.55 0.00 -1.26 -3.72 105.19 102.46 1nzr n GLY 37 Ca 0.08 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 1.83 3.87 -4.78 1.61 3.02 -1.26 -4.40 115.26 115.14 1nzr n ASN 38 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 1nzr n ASN 38 Cb 0.00 0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 39.76 1nzr n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1nzr s LEU 39 N -2.67 4.15 0.54 3.41 1.43 -1.26 -4.83 118.68 119.46 1nzr s LEU 39 Ca 0.00 1.99 -0.20 0.00 -1.03 0.00 0.00 54.13 54.89 1nzr s LEU 39 Cb 0.00 -4.19 -0.06 0.00 0.03 0.00 0.00 46.19 41.97 1nzr s LEU 39 CO 0.00 -0.43 1.16 -2.16 0.23 0.00 0.00 176.35 175.14 1nzr s PRO 40 N -2.49 3.32 0.60 1.29 0.04 -1.26 -2.50 135.00 134.01 1nzr s PRO 40 Ca 0.57 1.69 0.30 0.00 0.04 0.00 0.00 61.00 63.60 1nzr s PRO 40 Cb -0.21 -2.05 1.63 0.00 0.04 0.00 0.00 34.50 33.92 1nzr s PRO 40 CO 0.26 -0.89 2.02 -0.22 0.04 0.00 0.00 177.00 178.21 1nzr h LYS 41 N 1.25 0.00 0.00 4.56 3.64 -1.87 -0.67 116.57 123.48 1nzr h LYS 41 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1nzr h LYS 41 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1nzr h LYS 41 CO 0.57 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 178.02 1nzr n ASN 42 N -3.60 0.00 -0.01 4.20 6.94 -1.26 -1.35 115.26 120.18 1nzr n ASN 42 Ca 0.03 0.43 -0.01 0.00 -0.02 0.00 0.00 54.58 55.01 1nzr n ASN 42 Cb 0.43 -0.47 -0.01 0.00 -2.36 0.00 0.00 39.78 37.37 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 -1.47 0.09 -2.92 3.53 0.31 -0.56 -4.84 118.33 112.46 1nzr n VAL 43 Ca 0.07 -0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 1nzr n VAL 43 Cb 0.28 -0.82 0.01 0.00 -0.91 0.00 0.00 33.84 32.39 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 -2.22 1.05 -2.41 5.55 0.00 -0.37 -5.04 117.12 113.68 1nzr n MET 44 Ca -0.02 -3.21 -0.41 0.00 -0.00 0.00 0.00 57.70 54.05 1nzr n MET 44 Cb 0.54 -1.42 -0.03 0.00 0.00 0.00 0.00 33.22 32.30 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 -2.64 2.68 0.04 -5.12 0.00 -0.46 -4.66 107.32 97.16 1nzr s GLY 45 Ca 0.33 0.91 0.05 0.00 0.00 0.00 0.00 44.72 46.01 1nzr s GLY 45 CO -0.03 1.83 -0.15 0.30 0.00 0.00 0.00 173.10 175.05 1nzr s HIS 46 N 0.03 1.33 0.11 1.90 3.76 0.34 -4.66 115.29 118.10 1nzr s HIS 46 Ca 0.53 -0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 55.04 1nzr s HIS 46 Cb -0.32 -0.79 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 1nzr s HIS 46 CO 0.35 0.05 0.08 0.54 -0.85 0.00 0.00 174.74 174.92 1nzr s ASN 47 N -1.19 0.30 -0.23 1.40 6.03 -1.26 0.22 114.94 120.20 1nzr s ASN 47 Ca 0.02 -1.03 -0.04 0.00 -1.03 0.00 0.00 52.86 50.78 1nzr s ASN 47 Cb -0.08 0.30 -0.00 0.00 -3.03 0.00 0.00 41.25 38.43 1nzr s ASN 47 CO 0.01 -0.72 -0.02 -0.32 -2.03 0.00 0.00 177.10 174.02 1nzr s MET 48 N -3.98 3.30 -0.10 3.55 -2.45 -1.26 -4.16 119.30 114.20 1nzr s MET 48 Ca 0.16 -0.68 0.04 0.00 -1.25 0.00 0.00 55.69 53.96 1nzr s MET 48 Cb 0.07 -3.07 0.00 0.00 1.25 0.00 0.00 34.83 33.08 1nzr s MET 48 CO -0.03 -0.25 -0.23 0.08 1.05 0.00 0.00 175.02 175.64 1nzr s VAL 49 N 1.47 1.99 0.04 10.11 1.01 -0.18 -0.59 120.40 134.25 1nzr s VAL 49 Ca 0.05 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1nzr s VAL 49 Cb -0.15 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1nzr s VAL 49 CO -0.02 0.54 -0.02 -0.22 0.00 0.00 0.00 175.10 175.38 1nzr s LEU 50 N 0.38 3.40 0.00 3.92 2.96 -0.02 -1.94 118.68 127.38 1nzr s LEU 50 Ca -0.18 -0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.52 1nzr s LEU 50 Cb -0.18 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.51 1nzr s LEU 50 CO 0.08 0.23 0.42 -1.54 -1.32 0.00 0.00 176.35 174.23 1nzr n SER 51 N 1.06 -0.77 -4.88 3.68 3.41 -0.98 -1.51 113.62 113.64 1nzr n SER 51 Ca -0.13 -1.42 -0.30 0.00 -0.26 0.00 0.00 58.87 56.75 1nzr n SER 51 Cb 0.52 1.25 -0.00 0.00 -0.26 0.00 0.00 64.21 65.72 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 -2.39 4.75 0.18 6.66 -4.23 -1.26 -0.51 115.64 118.84 1nzr s THR 52 Ca 0.09 0.71 -0.14 0.00 -1.18 0.00 0.00 61.69 61.17 1nzr s THR 52 Cb -0.01 -3.84 0.10 0.00 1.34 0.00 0.00 72.50 70.09 1nzr s THR 52 CO 0.03 -0.97 1.70 0.00 -0.54 0.00 0.00 174.62 174.84 1nzr h ALA 53 N 0.09 0.48 0.00 3.99 0.00 -1.27 -2.19 119.26 120.35 1nzr h ALA 53 Ca -0.45 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nzr h ALA 53 Cb 1.19 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1nzr h ALA 53 CO 0.62 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1nzr h ALA 54 N 1.39 1.00 0.00 0.00 0.00 -1.94 -3.07 119.26 116.64 1nzr h ALA 54 Ca 0.23 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 1nzr h ALA 54 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1nzr h ALA 54 CO -0.35 0.00 -2.07 -0.25 0.00 0.00 0.00 179.25 176.58 1nzr n ASP 55 N -2.77 0.12 -0.35 0.00 8.00 -0.87 -4.57 116.55 116.10 1nzr n ASP 55 Ca -0.00 0.05 0.02 0.00 0.71 0.00 0.00 54.79 55.57 1nzr n ASP 55 Cb 0.20 1.35 0.08 0.00 -0.02 0.00 0.00 41.12 42.73 1nzr n ASP 55 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1nzr n MET 56 N -2.54 -0.16 -0.19 -1.24 0.00 -0.90 -0.58 117.12 111.51 1nzr n MET 56 Ca -0.16 1.47 -0.03 0.00 -0.00 0.00 0.00 57.70 58.98 1nzr n MET 56 Cb 0.84 -2.18 0.07 0.00 0.00 0.00 0.00 33.22 31.95 1nzr n MET 56 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 1nzr h GLN 57 N 0.00 0.51 -0.54 2.12 5.75 -1.80 0.73 115.11 121.87 1nzr h GLN 57 Ca 0.38 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.77 1nzr h GLN 57 Cb 0.62 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 1nzr h GLN 57 CO -0.96 0.33 0.02 0.78 -2.65 0.00 0.00 178.83 176.36 1nzr h GLY 58 N 0.52 1.02 0.96 2.39 0.00 -1.12 -1.75 103.07 105.08 1nzr h GLY 58 Ca 0.26 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1nzr h GLY 58 CO -0.19 0.67 0.13 -2.08 0.00 0.00 0.00 176.54 175.08 1nzr h VAL 59 N 0.82 1.23 0.24 4.60 2.07 -0.07 -1.66 116.25 123.48 1nzr h VAL 59 Ca 0.16 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1nzr h VAL 59 Cb 0.50 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1nzr h VAL 59 CO 0.02 0.27 -0.12 0.58 0.02 0.00 0.00 177.57 178.35 1nzr h VAL 60 N 0.60 0.79 -0.74 2.57 2.07 -0.77 0.58 116.25 121.35 1nzr h VAL 60 Ca 0.15 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1nzr h VAL 60 Cb 0.28 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1nzr h VAL 60 CO -0.00 0.04 0.49 0.74 0.02 0.00 0.00 177.57 178.85 1nzr h THR 61 N -0.42 1.12 0.00 2.57 2.02 -1.28 0.69 112.91 117.61 1nzr h THR 61 Ca -0.03 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.73 1nzr h THR 61 Cb 0.32 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1nzr h THR 61 CO 0.06 0.17 -0.83 0.44 0.37 0.00 0.00 175.52 175.72 1nzr h ASP 62 N 0.91 0.00 -0.05 4.18 3.32 -1.26 -3.17 116.42 120.35 1nzr h ASP 62 Ca 0.29 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 1nzr h ASP 62 Cb 0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1nzr h ASP 62 CO -0.08 0.41 0.01 1.23 -1.72 0.00 0.00 179.24 179.10 1nzr h GLY 63 N 3.68 0.08 0.08 2.75 0.00 -0.17 -2.57 103.07 106.92 1nzr h GLY 63 Ca -0.06 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.25 1nzr h GLY 63 CO 0.04 0.05 -0.46 1.98 0.00 0.00 0.00 176.54 178.15 1nzr h MET 64 N -0.14 -0.58 -0.06 4.80 1.85 -1.01 -1.59 114.93 118.19 1nzr h MET 64 Ca 0.01 0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.16 1nzr h MET 64 Cb 0.23 0.13 -0.00 0.00 0.43 0.00 0.00 31.60 32.39 1nzr h MET 64 CO 0.00 -0.39 0.10 0.00 -0.40 0.00 0.00 176.91 176.22 1nzr h ALA 65 N -0.16 1.48 -0.08 0.39 0.00 -1.55 -2.86 119.26 116.48 1nzr h ALA 65 Ca 0.04 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1nzr h ALA 65 Cb 0.68 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1nzr h ALA 65 CO -0.34 -0.13 -0.71 0.77 0.00 0.00 0.00 179.25 178.84 1nzr h SER 66 N 0.00 0.75 -5.00 0.00 0.02 -0.86 -3.50 113.55 104.97 1nzr h SER 66 Ca 0.03 -0.68 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 1nzr h SER 66 Cb 0.23 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1nzr h SER 66 CO -0.00 1.32 0.00 0.61 -1.14 0.00 0.00 176.83 177.62 1nzr n GLY 67 N 0.85 1.23 0.25 -3.77 0.00 -1.08 -4.42 105.19 98.25 1nzr n GLY 67 Ca -0.09 -2.05 0.09 0.00 0.00 0.00 0.00 46.02 43.97 1nzr n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nzr h LEU 68 N 0.00 0.00 -0.90 0.99 5.85 -1.91 0.20 115.31 119.54 1nzr h LEU 68 Ca 0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1nzr h LEU 68 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1nzr h LEU 68 CO 0.00 0.11 -0.07 -0.78 -0.34 0.00 0.00 178.44 177.35 1nzr h ASP 69 N 0.00 0.72 -0.81 1.25 3.58 -2.01 -2.87 116.42 116.28 1nzr h ASP 69 Ca -0.00 -0.19 -0.33 0.00 0.42 0.00 0.00 57.03 56.92 1nzr h ASP 69 Cb 0.21 -0.19 -0.20 0.00 1.72 0.00 0.00 39.33 40.87 1nzr h ASP 69 CO 0.01 0.83 0.42 0.29 -2.88 0.00 0.00 179.24 177.92 1nzr n LYS 70 N -4.19 2.93 -2.31 0.28 4.76 -0.59 -4.88 118.16 114.17 1nzr n LYS 70 Ca 0.02 -2.84 -0.08 0.00 -2.87 0.00 0.00 58.31 52.54 1nzr n LYS 70 Cb 0.34 -2.13 -0.01 0.00 -1.84 0.00 0.00 35.03 31.38 1nzr n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1nzr n ASP 71 N -0.53 -2.80 -3.71 4.39 9.92 -1.08 -1.16 116.55 121.59 1nzr n ASP 71 Ca 0.46 0.29 -0.23 0.00 -0.53 0.00 0.00 54.79 54.78 1nzr n ASP 71 Cb 1.45 -2.47 0.04 0.00 -0.64 0.00 0.00 41.12 39.51 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 -2.89 -2.10 -3.72 1.24 4.01 0.61 -4.73 117.16 109.58 1nzr n TYR 72 Ca -0.09 0.88 -0.12 0.00 -0.16 0.00 0.00 57.90 58.41 1nzr n TYR 72 Cb 0.53 -4.44 -0.13 0.00 -0.31 0.00 0.00 39.34 35.00 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 -6.81 0.35 0.21 7.72 1.43 -0.31 -4.18 118.68 117.09 1nzr s LEU 73 Ca 0.19 0.59 -0.31 0.00 -1.03 0.00 0.00 54.13 53.57 1nzr s LEU 73 Cb -0.09 0.86 -0.11 0.00 0.03 0.00 0.00 46.19 46.88 1nzr s LEU 73 CO 0.80 -0.17 1.60 -0.75 0.23 0.00 0.00 176.35 178.06 1nzr s LYS 74 N 1.22 4.18 0.35 1.70 2.20 -1.26 -4.80 119.74 123.33 1nzr s LYS 74 Ca -0.09 2.46 -0.28 0.00 -0.36 0.00 0.00 55.97 57.69 1nzr s LYS 74 Cb -0.09 -3.11 -0.11 0.00 -1.51 0.00 0.00 37.83 33.01 1nzr s LYS 74 CO -0.09 -0.63 1.41 -2.14 -0.36 0.00 0.00 175.35 173.55 1nzr s PRO 75 N 0.71 4.22 -1.30 4.03 0.02 -1.26 -2.84 135.00 138.58 1nzr s PRO 75 Ca 0.69 2.41 -0.12 0.00 0.02 0.00 0.00 61.00 64.00 1nzr s PRO 75 Cb -0.46 -3.02 0.11 0.00 0.02 0.00 0.00 34.50 31.15 1nzr s PRO 75 CO 0.35 -0.38 0.49 -0.25 -0.33 0.00 0.00 177.00 176.88 1nzr n ASP 76 N 0.71 -2.92 -4.64 2.53 8.00 -1.26 -4.87 116.55 114.10 1nzr n ASP 76 Ca 0.01 -0.54 -0.42 0.00 0.71 0.00 0.00 54.79 54.55 1nzr n ASP 76 Cb 0.40 -2.45 -0.03 0.00 -0.02 0.00 0.00 41.12 39.02 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 -2.82 6.17 0.00 -2.24 -1.08 -1.13 -4.87 116.67 110.70 1nzr s ASP 77 Ca 0.49 2.43 0.24 0.00 -0.52 0.00 0.00 52.55 55.18 1nzr s ASP 77 Cb -0.27 -2.52 1.29 0.00 -1.46 0.00 0.00 42.92 39.96 1nzr s ASP 77 CO 0.60 -1.31 1.78 -1.54 0.52 0.00 0.00 175.17 175.22 1nzr n SER 78 N 8.73 0.00 0.12 -0.34 3.41 -1.26 -2.65 113.62 121.63 1nzr n SER 78 Ca 0.23 -0.35 0.12 0.00 -0.26 0.00 0.00 58.87 58.61 1nzr n SER 78 Cb 0.42 -0.16 0.23 0.00 -0.26 0.00 0.00 64.21 64.44 1nzr n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1nzr h ARG 79 N 0.00 0.00 -5.67 4.33 3.08 -1.97 -3.45 114.38 110.70 1nzr h ARG 79 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1nzr h ARG 79 Cb 0.12 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.04 1nzr h ARG 79 CO 0.00 0.00 0.30 0.08 -1.07 0.00 0.00 179.97 179.28 1nzr s VAL 80 N -3.18 4.68 0.07 2.04 1.01 -1.09 -4.49 120.40 119.44 1nzr s VAL 80 Ca 0.07 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 1nzr s VAL 80 Cb 0.10 -4.31 -0.21 0.00 0.00 0.00 0.00 36.38 31.96 1nzr s VAL 80 CO 0.67 -0.72 1.21 0.40 0.00 0.00 0.00 175.10 176.66 1nzr h ILE 81 N 5.96 1.30 -1.99 2.22 2.04 -1.59 -3.47 117.51 121.98 1nzr h ILE 81 Ca -0.25 -2.14 -0.04 0.00 1.00 0.00 0.00 64.86 63.42 1nzr h ILE 81 Cb 1.09 2.31 -0.20 0.00 -0.74 0.00 0.00 36.82 39.27 1nzr h ILE 81 CO 0.95 0.66 0.16 0.00 0.00 0.00 0.00 178.15 179.92 1nzr s ALA 82 N -3.42 -1.78 0.02 1.87 0.00 -1.25 -5.01 121.76 112.19 1nzr s ALA 82 Ca -0.10 1.80 -0.10 0.00 0.00 0.00 0.00 51.96 53.56 1nzr s ALA 82 Cb 0.07 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.38 1nzr s ALA 82 CO 0.90 -0.35 0.19 -3.38 0.00 0.00 0.00 175.76 173.13 1nzr s HIS 83 N -0.12 0.02 0.39 0.00 -3.43 -1.26 -0.84 115.29 110.05 1nzr s HIS 83 Ca -0.03 -0.17 -0.01 0.00 -0.80 0.00 0.00 55.06 54.05 1nzr s HIS 83 Cb -0.03 -0.02 0.08 0.00 -1.43 0.00 0.00 32.58 31.18 1nzr s HIS 83 CO 0.04 -0.39 0.54 0.25 -2.00 0.00 0.00 174.74 173.18 1nzr n THR 84 N 0.96 0.00 -1.83 -5.38 -2.24 0.24 -4.83 114.28 101.20 1nzr n THR 84 Ca -0.20 -0.80 -0.31 0.00 -2.27 0.00 0.00 64.05 60.47 1nzr n THR 84 Cb 0.58 -1.17 0.02 0.00 -2.10 0.00 0.00 70.33 67.65 1nzr n THR 84 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1nzr s LYS 85 N -3.86 3.30 -0.32 -0.78 2.20 -1.26 -4.64 119.74 114.38 1nzr s LYS 85 Ca 0.35 0.94 -0.28 0.00 -0.36 0.00 0.00 55.97 56.62 1nzr s LYS 85 Cb -0.02 -2.04 0.01 0.00 -1.51 0.00 0.00 37.83 34.28 1nzr s LYS 85 CO 0.23 -0.81 1.01 -1.17 -0.36 0.00 0.00 175.35 174.25 1nzr s LEU 86 N -5.09 3.98 0.10 5.43 2.96 -1.26 -4.31 118.68 120.48 1nzr s LEU 86 Ca 0.58 0.96 0.06 0.00 -0.22 0.00 0.00 54.13 55.51 1nzr s LEU 86 Cb -0.13 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1nzr s LEU 86 CO 0.49 -0.82 -0.06 0.27 -1.32 0.00 0.00 176.35 174.91 1nzr s ILE 87 N 3.48 3.65 0.00 6.68 -4.36 0.13 -4.86 121.20 125.93 1nzr s ILE 87 Ca 0.42 -1.14 0.00 0.00 -0.26 0.00 0.00 60.65 59.67 1nzr s ILE 87 Cb -0.13 -2.72 0.00 0.00 1.25 0.00 0.00 42.46 40.86 1nzr s ILE 87 CO 0.14 0.12 0.00 0.61 0.24 0.00 0.00 174.94 176.05 1nzr n GLY 88 N 0.65 2.30 3.76 6.27 0.00 -1.26 -0.51 105.19 116.40 1nzr n GLY 88 Ca -0.12 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1nzr n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nzr s SER 89 N -0.90 6.71 0.00 1.61 1.04 -1.04 -2.80 113.70 118.32 1nzr s SER 89 Ca 0.00 2.71 0.00 0.00 0.48 0.00 0.00 55.95 59.14 1nzr s SER 89 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1nzr s SER 89 CO 0.00 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1nzr n GLY 90 N 1.15 0.95 3.96 7.32 0.00 -0.61 -4.99 105.19 112.97 1nzr n GLY 90 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.15 3.23 -0.11 1.61 2.02 -1.12 -4.95 118.70 119.23 1nzr s GLU 91 Ca 0.00 -0.57 -0.09 0.00 0.02 0.00 0.00 54.97 54.33 1nzr s GLU 91 Cb 0.00 -2.67 0.03 0.00 0.10 0.00 0.00 34.13 31.59 1nzr s GLU 91 CO 0.00 -0.03 0.28 0.21 0.02 0.00 0.00 175.26 175.74 1nzr s LYS 92 N -4.36 0.31 -0.06 1.61 2.47 -1.26 -2.18 119.74 116.27 1nzr s LYS 92 Ca 0.44 0.43 -0.20 0.00 -1.56 0.00 0.00 55.97 55.08 1nzr s LYS 92 Cb -0.10 0.10 0.04 0.00 -1.46 0.00 0.00 37.83 36.42 1nzr s LYS 92 CO 0.35 -0.07 0.45 0.34 0.16 0.00 0.00 175.35 176.59 1nzr s ASP 93 N 0.40 -0.39 0.08 1.43 2.15 -0.20 -5.00 116.67 115.13 1nzr s ASP 93 Ca -0.02 0.46 0.02 0.00 0.43 0.00 0.00 52.55 53.43 1nzr s ASP 93 Cb -0.04 0.52 -0.04 0.00 -0.30 0.00 0.00 42.92 43.07 1nzr s ASP 93 CO -0.02 -0.43 -0.06 -0.94 -0.17 0.00 0.00 175.17 173.55 1nzr s SER 94 N -0.95 0.98 -0.05 -0.34 1.04 -1.26 -0.74 113.70 112.39 1nzr s SER 94 Ca -0.10 -0.88 0.03 0.00 0.48 0.00 0.00 55.95 55.48 1nzr s SER 94 Cb -0.03 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.19 1nzr s SER 94 CO 0.05 -0.41 -0.12 0.54 0.98 0.00 0.00 173.24 174.28 1nzr s VAL 95 N -3.05 1.08 -0.09 5.02 0.11 -0.77 -4.95 120.40 117.75 1nzr s VAL 95 Ca 0.05 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 1nzr s VAL 95 Cb 0.01 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 1nzr s VAL 95 CO -0.04 0.34 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.09 1nzr s THR 96 N 0.50 3.57 0.09 5.04 2.01 -1.26 -1.40 115.64 124.17 1nzr s THR 96 Ca -0.11 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.39 1nzr s THR 96 Cb -0.14 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1nzr s THR 96 CO 0.03 0.57 -0.05 0.72 -0.69 0.00 0.00 174.62 175.20 1nzr s PHE 97 N -0.49 0.79 0.10 4.92 -0.71 0.08 -4.95 117.98 117.72 1nzr s PHE 97 Ca 0.07 -0.97 -0.31 0.00 -1.04 0.00 0.00 56.93 54.68 1nzr s PHE 97 Cb -0.12 -0.48 -0.08 0.00 -1.21 0.00 0.00 43.02 41.12 1nzr s PHE 97 CO 0.02 -0.22 1.55 -0.51 -1.34 0.00 0.00 175.22 174.71 1nzr s ASP 98 N -3.01 6.67 0.56 1.98 1.11 -1.26 -0.55 116.67 122.16 1nzr s ASP 98 Ca 0.11 2.46 0.33 0.00 0.18 0.00 0.00 52.55 55.63 1nzr s ASP 98 Cb 0.06 -2.58 1.54 0.00 1.07 0.00 0.00 42.92 43.02 1nzr s ASP 98 CO -0.06 -0.80 2.06 0.58 1.18 0.00 0.00 175.17 178.13 1nzr h VAL 99 N 4.45 0.19 0.00 -1.27 2.07 -1.50 -2.05 116.25 118.14 1nzr h VAL 99 Ca -0.42 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1nzr h VAL 99 Cb 1.20 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1nzr h VAL 99 CO 0.91 0.05 0.10 0.28 0.02 0.00 0.00 177.57 178.93 1nzr h SER 100 N 0.00 0.00 0.69 0.57 0.02 -1.89 -0.78 113.55 112.16 1nzr h SER 100 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nzr h SER 100 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1nzr h SER 100 CO 0.01 0.00 -0.12 0.29 -1.14 0.00 0.00 176.83 175.87 1nzr n LYS 101 N -2.59 0.23 -4.61 3.45 5.02 -0.77 -4.78 118.16 114.11 1nzr n LYS 101 Ca -0.02 -0.06 -0.32 0.00 -2.02 0.00 0.00 58.31 55.89 1nzr n LYS 101 Cb 0.15 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.55 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 -2.81 3.01 0.09 -0.35 1.43 -0.30 -5.11 118.68 114.65 1nzr s LEU 102 Ca 0.19 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 1nzr s LEU 102 Cb 0.19 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1nzr s LEU 102 CO 0.54 0.31 -0.16 -1.59 0.23 0.00 0.00 176.35 175.67 1nzr s LYS 103 N -1.16 0.97 0.59 1.70 -2.85 -1.26 -5.01 119.74 112.72 1nzr s LYS 103 Ca 0.15 -1.09 -0.18 0.00 -1.00 0.00 0.00 55.97 53.84 1nzr s LYS 103 Cb -0.11 -1.03 -0.04 0.00 -2.06 0.00 0.00 37.83 34.59 1nzr s LYS 103 CO 0.05 0.23 1.16 -2.00 0.10 0.00 0.00 175.35 174.89 1nzr s GLU 104 N -2.01 3.04 -0.27 1.78 2.12 -1.26 -3.22 118.70 118.88 1nzr s GLU 104 Ca 0.03 1.68 0.00 0.00 0.36 0.00 0.00 54.97 57.04 1nzr s GLU 104 Cb -0.09 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.35 1nzr s GLU 104 CO 0.03 -1.11 0.00 0.41 -0.54 0.00 0.00 175.26 174.05 1nzr n GLY 105 N 0.23 0.57 3.18 -1.50 0.00 -1.26 -5.03 105.19 101.37 1nzr n GLY 105 Ca 0.12 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.43 2.18 -0.29 1.61 2.12 -1.20 -5.10 118.70 116.60 1nzr s GLU 106 Ca 0.00 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 54.32 1nzr s GLU 106 Cb 0.00 -1.82 -0.00 0.00 0.26 0.00 0.00 34.13 32.56 1nzr s GLU 106 CO 0.00 0.25 1.32 -0.65 -0.54 0.00 0.00 175.26 175.64 1nzr s GLN 107 N 0.08 3.93 0.27 4.30 -0.21 -1.26 -4.79 119.66 121.98 1nzr s GLN 107 Ca -0.07 1.30 0.06 0.00 0.02 0.00 0.00 55.36 56.67 1nzr s GLN 107 Cb -0.14 -3.88 -0.03 0.00 1.00 0.00 0.00 33.01 29.97 1nzr s GLN 107 CO 0.04 -1.11 0.32 0.71 -2.12 0.00 0.00 175.29 173.13 1nzr s TYR 108 N 4.37 3.24 -0.01 0.91 2.02 -1.12 -0.92 117.35 125.84 1nzr s TYR 108 Ca 0.57 -0.11 0.02 0.00 -0.37 0.00 0.00 57.07 57.18 1nzr s TYR 108 Cb -0.17 -1.61 -0.00 0.00 -0.40 0.00 0.00 41.96 39.77 1nzr s TYR 108 CO 0.23 0.36 -0.06 -1.64 -1.57 0.00 0.00 175.55 172.87 1nzr s MET 109 N -3.97 0.60 -0.02 -0.62 -1.94 0.33 -2.07 119.30 111.61 1nzr s MET 109 Ca 0.36 -0.22 0.01 0.00 -1.71 0.00 0.00 55.69 54.14 1nzr s MET 109 Cb -0.08 -0.59 -0.03 0.00 2.01 0.00 0.00 34.83 36.13 1nzr s MET 109 CO 0.28 0.11 -0.03 -0.59 -0.01 0.00 0.00 175.02 174.78 1nzr s PHE 110 N 0.03 3.01 0.28 -0.03 -0.12 0.56 -2.32 117.98 119.40 1nzr s PHE 110 Ca 0.00 0.05 -0.20 0.00 -0.05 0.00 0.00 56.93 56.74 1nzr s PHE 110 Cb -0.05 -1.68 0.05 0.00 -0.63 0.00 0.00 43.02 40.72 1nzr s PHE 110 CO -0.00 0.42 0.84 -0.59 -0.05 0.00 0.00 175.22 175.84 1nzr s PHE 111 N -0.99 -0.02 -0.10 3.49 -0.71 -0.82 0.11 117.98 118.94 1nzr s PHE 111 Ca 0.17 -0.49 0.00 0.00 -1.04 0.00 0.00 56.93 55.57 1nzr s PHE 111 Cb -0.11 0.75 -0.02 0.00 -1.21 0.00 0.00 43.02 42.42 1nzr s PHE 111 CO 0.07 -1.25 -0.10 0.00 -1.34 0.00 0.00 175.22 172.60 1nzr n THR 113 N 3.01 0.00 -1.68 0.00 -2.24 -1.26 -3.20 114.28 108.91 1nzr n THR 113 Ca -0.18 -0.14 -0.45 0.00 -2.27 0.00 0.00 64.05 61.01 1nzr n THR 113 Cb 0.53 0.75 -0.04 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 -0.65 2.33 -1.57 4.78 -0.00 -1.26 -4.31 117.46 116.78 1nzr n PHE 114 Ca 0.09 0.28 -0.50 0.00 -0.00 0.00 0.00 57.45 57.32 1nzr n PHE 114 Cb 0.39 -2.54 -0.04 0.00 -0.00 0.00 0.00 39.48 37.28 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 3.14 1.03 0.00 -7.13 -0.02 -1.26 -1.56 135.00 129.21 1nzr n PRO 115 Ca 0.15 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1nzr n PRO 115 Cb 0.30 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.04 1.48 0.22 -1.23 0.00 -1.26 -4.84 105.19 101.60 1nzr n GLY 116 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.56 -3.09 115.15 115.97 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 0.25 0.00 -1.13 0.86 0.00 0.00 177.93 177.91 1nzr n SER 118 N -3.68 0.58 -0.23 2.45 3.41 -1.19 -0.38 113.62 114.57 1nzr n SER 118 Ca -0.01 0.65 0.03 0.00 -0.26 0.00 0.00 58.87 59.28 1nzr n SER 118 Cb 0.37 -0.77 0.27 0.00 -0.26 0.00 0.00 64.21 63.82 1nzr n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nzr h ALA 119 N 2.28 1.53 0.00 7.33 0.00 -1.89 -3.32 119.26 125.19 1nzr h ALA 119 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 1nzr h ALA 119 Cb 0.33 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1nzr h ALA 119 CO 0.00 0.39 -1.88 1.28 0.00 0.00 0.00 179.25 179.04 1nzr n LEU 120 N -4.45 0.76 -4.38 0.00 4.77 -0.62 -4.86 117.00 108.22 1nzr n LEU 120 Ca 0.10 -0.02 -0.45 0.00 -0.03 0.00 0.00 56.01 55.61 1nzr n LEU 120 Cb 0.12 0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1nzr n LEU 120 CO 0.35 0.43 0.88 -0.04 -1.33 0.00 0.00 177.39 177.68 1nzr s MET 121 N -2.31 3.98 0.09 3.23 -1.94 0.49 -4.69 119.30 118.15 1nzr s MET 121 Ca -0.10 -2.73 -0.18 0.00 -1.71 0.00 0.00 55.69 50.97 1nzr s MET 121 Cb 0.04 -4.70 0.04 0.00 2.01 0.00 0.00 34.83 32.22 1nzr s MET 121 CO 0.48 -1.44 0.43 -1.59 -0.01 0.00 0.00 175.02 172.88 1nzr s LYS 122 N 0.20 1.03 0.13 2.03 -2.85 -1.26 -1.81 119.74 117.22 1nzr s LYS 122 Ca 0.31 -0.54 -0.25 0.00 -1.00 0.00 0.00 55.97 54.49 1nzr s LYS 122 Cb -0.08 0.46 0.07 0.00 -2.06 0.00 0.00 37.83 36.22 1nzr s LYS 122 CO -0.06 -0.39 0.77 0.20 0.10 0.00 0.00 175.35 175.97 1nzr s GLY 123 N -2.47 -0.41 0.14 0.59 0.00 0.12 -4.68 107.32 100.60 1nzr s GLY 123 Ca -0.00 0.44 -0.08 0.00 0.00 0.00 0.00 44.72 45.07 1nzr s GLY 123 CO -0.08 0.14 0.43 -0.51 0.00 0.00 0.00 173.10 173.08 1nzr s THR 124 N -3.51 5.08 0.00 0.90 -4.23 -0.92 -0.32 115.64 112.63 1nzr s THR 124 Ca 0.06 0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.92 1nzr s THR 124 Cb -0.02 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.17 1nzr s THR 124 CO -0.06 0.11 -0.16 -0.22 -0.54 0.00 0.00 174.62 173.75 1nzr s LEU 125 N -2.41 2.07 -0.05 4.79 0.20 -0.88 -2.09 118.68 120.31 1nzr s LEU 125 Ca 0.40 -0.33 -0.07 0.00 0.69 0.00 0.00 54.13 54.81 1nzr s LEU 125 Cb -0.13 -0.78 0.01 0.00 -0.43 0.00 0.00 46.19 44.87 1nzr s LEU 125 CO 0.21 0.16 0.19 -0.89 -0.29 0.00 0.00 176.35 175.73 1nzr s THR 126 N -0.48 0.03 -0.34 3.68 2.01 -0.84 -2.79 115.64 116.91 1nzr s THR 126 Ca 0.05 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.72 1nzr s THR 126 Cb -0.06 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 1nzr s THR 126 CO -0.00 -0.12 0.21 -0.22 -0.69 0.00 0.00 174.62 173.80 1nzr s LEU 127 N -0.39 4.44 0.00 4.42 1.98 -1.26 0.40 118.68 128.27 1nzr s LEU 127 Ca -0.05 -0.53 0.12 0.00 -2.89 0.00 0.00 54.13 50.78 1nzr s LEU 127 Cb -0.03 -2.09 0.09 0.00 0.66 0.00 0.00 46.19 44.83 1nzr s LEU 127 CO 0.01 -0.25 0.88 0.29 -1.89 0.00 0.00 176.35 175.39