#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 -1.31 0.00 2.13 -1.26 -3.45 120.64 116.76 1nzr n GLU 2 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 1nzr n GLU 2 Cb 0.00 0.00 0.12 0.00 0.27 0.00 0.00 31.44 31.83 1nzr n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nzr s SER 4 N -1.93 -0.65 -0.02 0.00 1.04 -1.22 -2.31 113.70 108.61 1nzr s SER 4 Ca 0.59 0.75 0.02 0.00 0.48 0.00 0.00 55.95 57.78 1nzr s SER 4 Cb 0.48 0.58 0.00 0.00 0.10 0.00 0.00 66.02 67.18 1nzr s SER 4 CO 0.03 -0.57 -0.07 0.54 0.98 0.00 0.00 173.24 174.16 1nzr s VAL 5 N -1.09 0.57 -0.13 5.02 0.11 -0.55 -4.09 120.40 120.25 1nzr s VAL 5 Ca -0.10 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 58.65 1nzr s VAL 5 Cb -0.00 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1nzr s VAL 5 CO 0.09 0.18 0.02 -1.81 -3.33 0.00 0.00 175.10 170.25 1nzr s ASP 6 N 0.12 5.32 0.01 3.54 1.01 -1.26 -0.93 116.67 124.48 1nzr s ASP 6 Ca -0.01 0.09 -0.00 0.00 0.71 0.00 0.00 52.55 53.34 1nzr s ASP 6 Cb -0.06 -1.71 -0.01 0.00 1.01 0.00 0.00 42.92 42.15 1nzr s ASP 6 CO -0.00 0.28 -0.01 -0.51 0.21 0.00 0.00 175.17 175.14 1nzr s ILE 7 N -0.31 0.07 -0.02 0.77 2.07 0.29 -4.94 121.20 119.13 1nzr s ILE 7 Ca 0.07 -0.58 -0.06 0.00 -1.41 0.00 0.00 60.65 58.67 1nzr s ILE 7 Cb -0.12 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.29 1nzr s ILE 7 CO 0.02 -0.32 0.12 0.00 -1.91 0.00 0.00 174.94 172.85 1nzr s GLN 8 N -0.94 0.35 -0.05 3.50 -2.07 -1.26 -1.30 119.66 117.90 1nzr s GLN 8 Ca -0.10 -0.21 0.06 0.00 -1.82 0.00 0.00 55.36 53.28 1nzr s GLN 8 Cb -0.06 0.15 -0.02 0.00 -1.09 0.00 0.00 33.01 31.99 1nzr s GLN 8 CO -0.01 -0.07 -0.22 0.20 -1.32 0.00 0.00 175.29 173.87 1nzr s GLY 9 N -0.87 1.36 0.53 2.60 0.00 -0.92 -1.30 107.32 108.72 1nzr s GLY 9 Ca -0.10 -1.04 0.04 0.00 0.00 0.00 0.00 44.72 43.62 1nzr s GLY 9 CO 0.01 -0.73 0.35 1.16 0.00 0.00 0.00 173.10 173.89 1nzr n ASN 10 N 2.68 2.81 0.00 1.64 0.23 0.13 -3.51 115.26 119.23 1nzr n ASN 10 Ca -0.17 -2.90 0.10 0.00 -0.53 0.00 0.00 54.58 51.08 1nzr n ASN 10 Cb 0.52 0.01 0.54 0.00 -2.08 0.00 0.00 39.78 38.77 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 -1.77 0.00 -1.79 0.53 9.92 -1.25 -2.58 116.55 119.61 1nzr n ASP 11 Ca -0.04 -0.41 -0.18 0.00 -0.53 0.00 0.00 54.79 53.62 1nzr n ASP 11 Cb 0.62 -0.09 0.15 0.00 -0.64 0.00 0.00 41.12 41.16 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 -1.09 2.31 -3.74 -1.24 6.02 -1.26 -4.92 117.38 113.46 1nzr n GLN 12 Ca 0.13 -3.27 -0.26 0.00 -0.01 0.00 0.00 57.00 53.58 1nzr n GLN 12 Cb 0.09 -2.06 0.05 0.00 1.02 0.00 0.00 30.24 29.34 1nzr n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1nzr n MET 13 N -1.05 -6.47 -4.02 -1.09 0.00 -1.07 -4.97 117.12 98.45 1nzr n MET 13 Ca 0.48 0.70 -0.10 0.00 0.00 0.00 0.00 57.70 58.78 1nzr n MET 13 Cb 1.15 -5.63 -0.11 0.00 0.00 0.00 0.00 33.22 28.62 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 -6.36 0.43 0.04 2.12 -0.21 -1.26 -4.19 119.66 110.23 1nzr s GLN 14 Ca 0.53 -0.74 -0.05 0.00 0.02 0.00 0.00 55.36 55.11 1nzr s GLN 14 Cb -0.25 -0.03 -0.05 0.00 1.00 0.00 0.00 33.01 33.68 1nzr s GLN 14 CO 0.78 -0.02 0.28 -0.06 -2.12 0.00 0.00 175.29 174.16 1nzr s PHE 15 N -1.74 3.55 -1.53 0.91 0.08 -1.26 -0.70 117.98 117.29 1nzr s PHE 15 Ca -0.11 0.53 0.12 0.00 0.12 0.00 0.00 56.93 57.59 1nzr s PHE 15 Cb -0.08 -1.96 0.62 0.00 -0.57 0.00 0.00 43.02 41.03 1nzr s PHE 15 CO -0.01 0.57 1.26 0.27 -0.10 0.00 0.00 175.22 177.21 1nzr n ASN 16 N 0.81 0.00 -3.59 1.36 6.94 -0.42 -4.79 115.26 115.58 1nzr n ASN 16 Ca -0.09 0.03 -0.16 0.00 -0.02 0.00 0.00 54.58 54.34 1nzr n ASN 16 Cb 0.52 -0.23 -0.06 0.00 -2.36 0.00 0.00 39.78 37.65 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 -2.47 0.02 -0.08 5.53 -1.32 -1.26 -5.03 115.64 111.03 1nzr s THR 17 Ca 0.13 -0.16 0.19 0.00 -1.21 0.00 0.00 61.69 60.63 1nzr s THR 17 Cb 0.08 -0.90 0.39 0.00 -1.51 0.00 0.00 72.50 70.56 1nzr s THR 17 CO 0.17 -0.09 1.17 0.59 -2.21 0.00 0.00 174.62 174.26 1nzr n ASN 18 N 0.89 1.24 -3.57 8.08 4.13 -1.26 -4.74 115.26 120.02 1nzr n ASN 18 Ca -0.19 -2.71 -0.01 0.00 1.68 0.00 0.00 54.58 53.35 1nzr n ASN 18 Cb 0.57 -0.38 -0.04 0.00 -1.54 0.00 0.00 39.78 38.39 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 -1.25 -2.27 0.01 5.41 0.00 -1.25 -1.59 121.76 120.81 1nzr s ALA 19 Ca 0.33 2.25 0.07 0.00 0.00 0.00 0.00 51.96 54.61 1nzr s ALA 19 Cb 0.35 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 1nzr s ALA 19 CO -0.11 -0.85 -0.22 0.42 0.00 0.00 0.00 175.76 174.99 1nzr s ILE 20 N 2.53 1.78 -0.11 0.00 1.01 0.16 -4.93 121.20 121.63 1nzr s ILE 20 Ca -0.05 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.55 1nzr s ILE 20 Cb -0.09 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1nzr s ILE 20 CO -0.18 0.39 -0.21 -0.89 0.00 0.00 0.00 174.94 174.05 1nzr s THR 21 N -0.64 1.89 -0.23 2.92 2.01 -1.26 -0.87 115.64 119.46 1nzr s THR 21 Ca 0.09 -0.90 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 1nzr s THR 21 Cb -0.09 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 1nzr s THR 21 CO 0.00 0.52 0.06 -0.69 -0.69 0.00 0.00 174.62 173.83 1nzr s VAL 22 N 0.60 4.37 0.21 3.82 1.01 0.32 -4.93 120.40 125.80 1nzr s VAL 22 Ca -0.13 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1nzr s VAL 22 Cb -0.17 -3.02 -0.09 0.00 0.00 0.00 0.00 36.38 33.10 1nzr s VAL 22 CO 0.04 0.37 1.35 -0.62 0.00 0.00 0.00 175.10 176.23 1nzr s ASP 23 N 1.34 6.83 0.50 3.32 2.15 -1.26 -0.03 116.67 129.53 1nzr s ASP 23 Ca 0.05 2.46 0.33 0.00 0.43 0.00 0.00 52.55 55.83 1nzr s ASP 23 Cb -0.15 -2.61 1.57 0.00 -0.30 0.00 0.00 42.92 41.43 1nzr s ASP 23 CO 0.03 -0.58 2.00 0.11 -0.17 0.00 0.00 175.17 176.57 1nzr h LYS 24 N 5.38 0.00 -0.00 4.34 1.57 -1.90 -2.10 116.57 123.85 1nzr h LYS 24 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1nzr h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1nzr h LYS 24 CO 0.78 0.00 -0.00 -1.13 -0.57 0.00 0.00 179.45 178.53 1nzr n SER 25 N -2.82 0.11 -4.72 0.86 3.41 -1.26 -4.78 113.62 104.42 1nzr n SER 25 Ca -0.00 -0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 57.22 1nzr n SER 25 Cb 0.19 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 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 6.21 0.42 -5.27 0.00 1.57 -1.90 -3.43 116.57 114.17 1nzr h LYS 27 Ca -0.43 -0.72 -0.38 0.00 -1.87 0.00 0.00 60.65 57.26 1nzr h LYS 27 Cb 1.21 0.27 -0.15 0.00 0.08 0.00 0.00 32.23 33.64 1nzr h LYS 27 CO 0.79 1.34 -0.73 -0.65 -0.57 0.00 0.00 179.45 179.63 1nzr s GLN 28 N -2.62 1.15 -0.05 3.15 -0.21 -1.26 -2.10 119.66 117.72 1nzr s GLN 28 Ca -0.07 -1.48 0.03 0.00 0.02 0.00 0.00 55.36 53.86 1nzr s GLN 28 Cb 0.05 -0.82 0.01 0.00 1.00 0.00 0.00 33.01 33.25 1nzr s GLN 28 CO 0.92 0.12 -0.11 0.12 -2.12 0.00 0.00 175.29 174.22 1nzr s PHE 29 N -3.08 1.28 -0.19 0.91 5.36 -0.33 -4.84 117.98 117.08 1nzr s PHE 29 Ca 0.18 -0.40 -0.05 0.00 -0.96 0.00 0.00 56.93 55.70 1nzr s PHE 29 Cb 0.01 -0.92 -0.03 0.00 -0.34 0.00 0.00 43.02 41.74 1nzr s PHE 29 CO 0.03 -0.19 -0.00 0.99 -1.46 0.00 0.00 175.22 174.58 1nzr s THR 30 N 0.41 3.99 -0.29 0.12 2.01 -0.98 -1.67 115.64 119.23 1nzr s THR 30 Ca -0.09 -0.31 -0.09 0.00 0.31 0.00 0.00 61.69 61.52 1nzr s THR 30 Cb -0.13 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1nzr s THR 30 CO 0.02 0.44 0.12 -0.69 -0.69 0.00 0.00 174.62 173.83 1nzr s VAL 31 N 0.82 4.48 -0.24 3.82 1.01 0.09 -1.48 120.40 128.91 1nzr s VAL 31 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 1nzr s VAL 31 Cb -0.14 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1nzr s VAL 31 CO 0.02 0.14 0.15 0.20 0.00 0.00 0.00 175.10 175.62 1nzr s ASN 32 N 1.61 6.07 -0.13 3.32 0.01 -0.10 -2.19 114.94 123.52 1nzr s ASN 32 Ca 0.05 0.10 -0.03 0.00 -0.71 0.00 0.00 52.86 52.27 1nzr s ASN 32 Cb -0.17 -2.09 -0.03 0.00 0.41 0.00 0.00 41.25 39.37 1nzr s ASN 32 CO 0.05 0.07 -0.03 -0.22 -1.51 0.00 0.00 177.10 175.46 1nzr s LEU 33 N 1.06 3.35 0.13 0.60 2.96 0.63 -0.55 118.68 126.86 1nzr s LEU 33 Ca 0.07 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1nzr s LEU 33 Cb -0.14 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1nzr s LEU 33 CO 0.04 0.24 -0.12 -0.94 -1.32 0.00 0.00 176.35 174.25 1nzr s SER 34 N -0.05 1.82 -0.47 3.68 1.04 -0.42 -0.34 113.70 118.97 1nzr s SER 34 Ca 0.02 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 55.61 1nzr s SER 34 Cb -0.13 -0.04 0.15 0.00 0.10 0.00 0.00 66.02 66.10 1nzr s SER 34 CO 0.02 -0.22 0.29 -2.28 0.98 0.00 0.00 173.24 172.03 1nzr s HIS 35 N -2.55 2.02 0.86 5.02 2.46 -1.09 -2.18 115.29 119.83 1nzr s HIS 35 Ca 0.10 -2.51 -0.14 0.00 0.47 0.00 0.00 55.06 52.98 1nzr s HIS 35 Cb -0.02 -1.81 0.03 0.00 -0.13 0.00 0.00 32.58 30.64 1nzr s HIS 35 CO 0.02 -0.76 0.64 -0.35 -2.47 0.00 0.00 174.74 171.82 1nzr n PRO 36 N 3.22 -0.04 0.00 2.88 -0.04 -1.23 -1.03 135.00 138.76 1nzr n PRO 36 Ca 0.14 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1nzr n PRO 36 Cb 0.37 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 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 1.28 0.04 0.00 0.55 0.00 -1.26 -3.92 105.19 101.88 1nzr n GLY 37 Ca 0.09 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 0.00 -4.77 1.61 3.02 -1.26 -4.57 115.26 109.29 1nzr n ASN 38 Ca 0.00 -0.03 -0.38 0.00 -0.03 0.00 0.00 54.58 54.14 1nzr n ASN 38 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.00 4.32 0.80 3.41 1.43 -1.26 -4.86 118.68 122.53 1nzr s LEU 39 Ca 0.00 2.21 -0.12 0.00 -1.03 0.00 0.00 54.13 55.19 1nzr s LEU 39 Cb 0.00 -3.91 0.08 0.00 0.03 0.00 0.00 46.19 42.38 1nzr s LEU 39 CO 0.00 -0.39 1.16 -2.16 0.23 0.00 0.00 176.35 175.18 1nzr s PRO 40 N -2.01 2.01 0.23 1.29 0.04 -1.26 -2.18 135.00 133.12 1nzr s PRO 40 Ca 0.52 0.22 -0.08 0.00 0.04 0.00 0.00 61.00 61.70 1nzr s PRO 40 Cb -0.28 -1.95 0.38 0.00 0.04 0.00 0.00 34.50 32.69 1nzr s PRO 40 CO 0.36 -1.58 1.65 -0.22 0.04 0.00 0.00 177.00 177.25 1nzr h LYS 41 N -1.05 0.12 0.00 4.56 3.64 -1.87 0.76 116.57 122.74 1nzr h LYS 41 Ca -0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1nzr h LYS 41 Cb 1.31 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1nzr h LYS 41 CO 0.65 0.08 0.00 0.27 -2.27 0.00 0.00 179.45 178.18 1nzr n ASN 42 N -5.30 0.00 -0.01 4.20 0.23 -1.26 -1.30 115.26 111.83 1nzr n ASN 42 Ca 0.12 -0.26 -0.01 0.00 -0.53 0.00 0.00 54.58 53.89 1nzr n ASN 42 Cb 0.42 -0.15 -0.01 0.00 -2.08 0.00 0.00 39.78 37.96 1nzr n ASN 42 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1nzr n VAL 43 N -1.15 0.12 -2.73 3.53 0.31 -0.18 -4.86 118.33 113.37 1nzr n VAL 43 Ca 0.11 -0.05 -0.05 0.00 -0.01 0.00 0.00 64.34 64.34 1nzr n VAL 43 Cb 0.10 -0.66 0.06 0.00 -0.91 0.00 0.00 33.84 32.43 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 -2.46 1.39 -2.02 5.55 1.56 0.08 -5.01 117.12 116.23 1nzr n MET 44 Ca -0.04 -2.98 -0.34 0.00 -0.27 0.00 0.00 57.70 54.07 1nzr n MET 44 Cb 0.54 -1.07 0.03 0.00 2.15 0.00 0.00 33.22 34.87 1nzr n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1nzr s GLY 45 N -2.96 2.47 -0.00 -5.12 0.00 -0.42 -4.79 107.32 96.50 1nzr s GLY 45 Ca 0.25 0.76 0.01 0.00 0.00 0.00 0.00 44.72 45.74 1nzr s GLY 45 CO -0.02 1.12 -0.04 0.30 0.00 0.00 0.00 173.10 174.46 1nzr s HIS 46 N -1.95 0.37 0.15 1.90 3.76 -0.36 -4.70 115.29 114.45 1nzr s HIS 46 Ca 0.71 -0.07 0.04 0.00 -0.15 0.00 0.00 55.06 55.59 1nzr s HIS 46 Cb -0.24 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.17 1nzr s HIS 46 CO 0.34 -0.01 -0.08 0.54 -0.85 0.00 0.00 174.74 174.67 1nzr s ASN 47 N -0.07 1.66 -0.38 1.40 2.20 -1.26 -0.02 114.94 118.47 1nzr s ASN 47 Ca 0.01 -1.04 -0.06 0.00 -0.94 0.00 0.00 52.86 50.84 1nzr s ASN 47 Cb -0.02 0.02 0.07 0.00 -2.00 0.00 0.00 41.25 39.32 1nzr s ASN 47 CO -0.00 -0.38 0.16 -0.32 -2.94 0.00 0.00 177.10 173.62 1nzr s MET 48 N -3.78 2.44 -0.11 3.55 1.75 -1.26 -4.14 119.30 117.75 1nzr s MET 48 Ca 0.17 -1.43 -0.02 0.00 -1.25 0.00 0.00 55.69 53.16 1nzr s MET 48 Cb 0.03 -3.55 -0.03 0.00 2.84 0.00 0.00 34.83 34.12 1nzr s MET 48 CO 0.00 -0.85 -0.03 0.08 -0.65 0.00 0.00 175.02 173.58 1nzr s VAL 49 N 1.33 4.03 -0.13 10.11 1.01 0.05 -1.79 120.40 135.01 1nzr s VAL 49 Ca 0.02 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1nzr s VAL 49 Cb -0.21 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1nzr s VAL 49 CO 0.00 0.56 -0.16 -0.22 0.00 0.00 0.00 175.10 175.29 1nzr s LEU 50 N -0.39 2.55 0.00 3.92 2.96 -0.37 -1.01 118.68 126.35 1nzr s LEU 50 Ca 0.07 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 1nzr s LEU 50 Cb -0.12 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 45.03 1nzr s LEU 50 CO 0.02 0.15 0.42 -1.54 -1.32 0.00 0.00 176.35 174.08 1nzr n SER 51 N 3.59 -1.21 -4.85 3.68 3.41 -1.08 -0.33 113.62 116.83 1nzr n SER 51 Ca -0.18 -1.99 -0.31 0.00 -0.26 0.00 0.00 58.87 56.12 1nzr n SER 51 Cb 0.53 2.05 0.00 0.00 -0.26 0.00 0.00 64.21 66.53 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 -2.52 4.53 0.41 6.66 -4.23 -1.26 -1.77 115.64 117.45 1nzr s THR 52 Ca 0.11 0.94 0.08 0.00 -1.18 0.00 0.00 61.69 61.65 1nzr s THR 52 Cb -0.02 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.35 1nzr s THR 52 CO 0.08 -0.96 2.04 0.00 -0.54 0.00 0.00 174.62 175.25 1nzr h ALA 53 N -0.01 1.76 0.00 3.99 0.00 -1.42 -0.55 119.26 123.03 1nzr h ALA 53 Ca -0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1nzr h ALA 53 Cb 1.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1nzr h ALA 53 CO 0.61 0.20 -0.25 0.00 0.00 0.00 0.00 179.25 179.81 1nzr h ALA 54 N 1.73 1.10 -0.00 0.00 0.00 -1.93 -3.05 119.26 117.12 1nzr h ALA 54 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nzr h ALA 54 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nzr h ALA 54 CO -0.04 0.31 -0.70 -0.25 0.00 0.00 0.00 179.25 178.57 1nzr n ASP 55 N -3.54 0.87 -0.13 0.00 8.00 -0.25 -4.50 116.55 117.00 1nzr n ASP 55 Ca -0.01 -0.72 -0.04 0.00 0.71 0.00 0.00 54.79 54.74 1nzr n ASP 55 Cb 0.40 0.59 0.04 0.00 -0.02 0.00 0.00 41.12 42.13 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 0.27 0.14 -0.33 -1.24 4.05 -1.34 -2.08 114.93 114.40 1nzr h MET 56 Ca 0.00 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.48 1nzr h MET 56 Cb 0.52 -0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.21 1nzr h MET 56 CO 0.00 0.09 -0.20 0.37 0.23 0.00 0.00 176.91 177.40 1nzr h GLN 57 N 0.14 -0.15 -0.67 0.39 5.75 -1.79 -0.66 115.11 118.11 1nzr h GLN 57 Ca 0.22 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.67 1nzr h GLN 57 Cb 0.30 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 1nzr h GLN 57 CO -0.34 -0.10 0.22 0.78 -2.65 0.00 0.00 178.83 176.74 1nzr h GLY 58 N -0.16 1.12 0.83 2.39 0.00 -1.74 -0.47 103.07 105.04 1nzr h GLY 58 Ca 0.17 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 1nzr h GLY 58 CO -0.42 0.62 0.02 -2.08 0.00 0.00 0.00 176.54 174.67 1nzr h VAL 59 N 0.98 1.16 -0.00 4.60 2.07 -1.13 -1.62 116.25 122.31 1nzr h VAL 59 Ca 0.22 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1nzr h VAL 59 Cb 0.29 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1nzr h VAL 59 CO -0.01 0.14 0.00 0.58 0.02 0.00 0.00 177.57 178.30 1nzr h VAL 60 N -0.08 1.00 -0.28 2.57 2.07 -0.80 0.25 116.25 120.98 1nzr h VAL 60 Ca 0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1nzr h VAL 60 Cb 0.20 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1nzr h VAL 60 CO -0.00 0.00 0.19 0.74 0.02 0.00 0.00 177.57 178.52 1nzr h THR 61 N -0.00 1.07 0.00 2.57 2.02 -1.14 -0.04 112.91 117.39 1nzr h THR 61 Ca 0.00 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 1nzr h THR 61 Cb 0.00 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1nzr h THR 61 CO -0.00 0.07 -0.33 0.44 0.37 0.00 0.00 175.52 176.07 1nzr h ASP 62 N 0.38 0.00 0.21 4.18 3.32 -1.19 -2.13 116.42 121.19 1nzr h ASP 62 Ca 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1nzr h ASP 62 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1nzr h ASP 62 CO -0.02 0.33 -0.10 1.23 -1.72 0.00 0.00 179.24 178.96 1nzr h GLY 63 N 2.11 -0.30 -0.13 2.75 0.00 -0.10 -1.40 103.07 106.00 1nzr h GLY 63 Ca -0.00 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.46 1nzr h GLY 63 CO 0.04 -0.11 -0.39 1.98 0.00 0.00 0.00 176.54 178.06 1nzr h MET 64 N -0.50 -0.39 -0.05 4.80 1.85 -0.81 -0.36 114.93 119.48 1nzr h MET 64 Ca -0.03 0.03 0.02 0.00 -0.61 0.00 0.00 59.70 59.10 1nzr h MET 64 Cb 0.38 0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.49 1nzr h MET 64 CO 0.05 -0.26 0.22 0.00 -0.40 0.00 0.00 176.91 176.52 1nzr h ALA 65 N -0.58 1.36 0.00 0.39 0.00 -1.33 -2.18 119.26 116.92 1nzr h ALA 65 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nzr h ALA 65 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1nzr h ALA 65 CO -0.33 -0.25 0.00 0.43 0.00 0.00 0.00 179.25 179.10 1nzr n SER 66 N -3.15 0.66 0.00 0.00 7.64 -0.15 -5.03 113.62 113.60 1nzr n SER 66 Ca -0.01 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1nzr n SER 66 Cb 0.29 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1nzr n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nzr n GLY 67 N 0.58 -1.43 0.34 0.23 0.00 -0.82 -3.95 105.19 100.13 1nzr n GLY 67 Ca 0.04 -1.58 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 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 1.09 -2.22 0.99 5.85 -1.92 -1.95 115.31 117.14 1nzr h LEU 68 Ca 0.00 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1nzr h LEU 68 Cb 0.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1nzr h LEU 68 CO 0.00 0.95 0.16 0.44 -0.34 0.00 0.00 178.44 179.65 1nzr h ASP 69 N 1.16 0.00 -0.55 1.25 3.32 -2.01 0.16 116.42 119.74 1nzr h ASP 69 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1nzr h ASP 69 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1nzr h ASP 69 CO -0.03 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.78 1nzr n LYS 70 N -3.94 4.65 -3.67 3.56 4.76 -0.85 -4.90 118.16 117.76 1nzr n LYS 70 Ca 0.01 -3.12 -0.27 0.00 -2.87 0.00 0.00 58.31 52.06 1nzr n LYS 70 Cb 0.29 -2.20 0.04 0.00 -1.84 0.00 0.00 35.03 31.31 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 0.56 -5.26 -4.26 4.39 8.00 0.56 -2.60 116.55 117.94 1nzr n ASP 71 Ca 0.27 -0.62 -0.35 0.00 0.71 0.00 0.00 54.79 54.81 1nzr n ASP 71 Cb 1.15 -4.20 -0.05 0.00 -0.02 0.00 0.00 41.12 38.00 1nzr n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1nzr n TYR 72 N -4.67 -1.49 -3.73 1.24 4.01 -0.79 -4.65 117.16 107.08 1nzr n TYR 72 Ca 0.01 0.73 -0.16 0.00 -0.16 0.00 0.00 57.90 58.31 1nzr n TYR 72 Cb 0.55 -2.84 -0.16 0.00 -0.31 0.00 0.00 39.34 36.58 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 -7.23 0.67 0.20 7.72 1.43 -1.07 -4.26 118.68 116.13 1nzr s LEU 73 Ca 0.46 0.11 -0.33 0.00 -1.03 0.00 0.00 54.13 53.35 1nzr s LEU 73 Cb -0.26 0.00 -0.13 0.00 0.03 0.00 0.00 46.19 45.83 1nzr s LEU 73 CO 0.96 -0.18 1.59 1.17 0.23 0.00 0.00 176.35 180.12 1nzr n LYS 74 N 4.59 2.34 -1.69 1.70 4.81 -1.26 -4.84 118.16 123.81 1nzr n LYS 74 Ca -0.19 0.84 -0.44 0.00 -0.87 0.00 0.00 58.31 57.65 1nzr n LYS 74 Cb 0.50 -2.61 -0.03 0.00 0.02 0.00 0.00 35.03 32.91 1nzr n LYS 74 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1nzr n PRO 75 N 3.20 2.25 -2.23 1.64 -0.02 -1.26 -2.87 135.00 135.72 1nzr n PRO 75 Ca 0.15 0.81 -0.19 0.00 -2.02 0.00 0.00 63.50 62.25 1nzr n PRO 75 Cb 0.31 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.24 1nzr n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nzr n ASP 76 N 2.67 -5.30 -4.65 2.55 8.00 -1.26 -4.89 116.55 113.67 1nzr n ASP 76 Ca 0.13 0.13 -0.50 0.00 0.71 0.00 0.00 54.79 55.25 1nzr n ASP 76 Cb 0.32 -4.49 -0.05 0.00 -0.02 0.00 0.00 41.12 36.88 1nzr n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1nzr n ASP 77 N -1.78 3.03 0.26 -2.24 -0.08 -1.14 -4.85 116.55 109.75 1nzr n ASP 77 Ca -0.21 0.86 0.11 0.00 -1.51 0.00 0.00 54.79 54.04 1nzr n ASP 77 Cb 0.66 -1.32 0.71 0.00 2.34 0.00 0.00 41.12 43.51 1nzr n ASP 77 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1nzr h SER 78 N 9.68 0.00 0.90 1.67 0.02 -1.94 -2.83 113.55 121.04 1nzr h SER 78 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1nzr h SER 78 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1nzr h SER 78 CO 0.96 0.10 0.00 0.03 -1.14 0.00 0.00 176.83 176.79 1nzr h ARG 79 N 0.00 0.00 -5.54 3.45 3.08 -1.97 -3.44 114.38 109.97 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 0.23 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.15 1nzr h ARG 79 CO 0.01 0.00 0.19 0.08 -1.07 0.00 0.00 179.97 179.18 1nzr s VAL 80 N -3.35 4.83 0.09 2.04 1.01 -1.07 -4.49 120.40 119.47 1nzr s VAL 80 Ca 0.05 0.51 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 1nzr s VAL 80 Cb 0.09 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 1nzr s VAL 80 CO 0.45 -0.42 1.45 0.40 0.00 0.00 0.00 175.10 176.98 1nzr h ILE 81 N 5.76 1.30 -3.03 2.22 2.04 -0.97 -3.47 117.51 121.35 1nzr h ILE 81 Ca -0.26 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 64.34 1nzr h ILE 81 Cb 1.10 1.50 -0.10 0.00 -0.74 0.00 0.00 36.82 38.58 1nzr h ILE 81 CO 0.87 0.40 0.20 0.00 0.00 0.00 0.00 178.15 179.62 1nzr s ALA 82 N -4.56 -1.42 -0.07 1.87 0.00 -1.24 -5.01 121.76 111.31 1nzr s ALA 82 Ca -0.13 0.19 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 1nzr s ALA 82 Cb 0.08 0.87 0.11 0.00 0.00 0.00 0.00 23.12 24.18 1nzr s ALA 82 CO 0.80 -0.85 0.89 -3.38 0.00 0.00 0.00 175.76 173.22 1nzr s HIS 83 N -3.81 -0.41 0.63 0.00 -3.43 -1.26 -1.23 115.29 105.77 1nzr s HIS 83 Ca 0.05 0.55 0.02 0.00 -0.80 0.00 0.00 55.06 54.88 1nzr s HIS 83 Cb -0.02 0.48 0.09 0.00 -1.43 0.00 0.00 32.58 31.69 1nzr s HIS 83 CO -0.06 -0.48 0.87 0.95 -2.00 0.00 0.00 174.74 174.01 1nzr s THR 84 N -1.95 2.34 0.88 -5.38 -4.23 -0.74 -4.89 115.64 101.68 1nzr s THR 84 Ca -0.01 -0.72 -0.11 0.00 -1.18 0.00 0.00 61.69 59.67 1nzr s THR 84 Cb -0.01 -2.62 0.12 0.00 1.34 0.00 0.00 72.50 71.34 1nzr s THR 84 CO -0.01 0.00 1.11 -0.54 -0.54 0.00 0.00 174.62 174.64 1nzr s LYS 85 N -4.89 1.32 -0.29 3.99 1.02 -1.26 -4.71 119.74 114.91 1nzr s LYS 85 Ca 0.62 1.27 -0.26 0.00 0.02 0.00 0.00 55.97 57.62 1nzr s LYS 85 Cb -0.07 -1.78 0.01 0.00 -0.52 0.00 0.00 37.83 35.46 1nzr s LYS 85 CO 0.41 -2.33 0.92 -1.17 -0.92 0.00 0.00 175.35 172.26 1nzr s LEU 86 N -6.37 4.04 0.05 3.17 2.96 -1.26 -4.35 118.68 116.92 1nzr s LEU 86 Ca 0.64 0.95 0.03 0.00 -0.22 0.00 0.00 54.13 55.53 1nzr s LEU 86 Cb -0.20 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.14 1nzr s LEU 86 CO 0.58 -0.69 0.01 0.27 -1.32 0.00 0.00 176.35 175.20 1nzr s ILE 87 N 3.19 4.13 0.70 6.68 -4.36 0.97 -4.85 121.20 127.65 1nzr s ILE 87 Ca 0.38 -0.80 0.03 0.00 -0.26 0.00 0.00 60.65 60.01 1nzr s ILE 87 Cb -0.14 -2.92 0.13 0.00 1.25 0.00 0.00 42.46 40.78 1nzr s ILE 87 CO 0.12 0.23 0.96 -0.83 0.24 0.00 0.00 174.94 175.65 1nzr s GLY 88 N -2.00 1.73 0.34 6.27 0.00 -1.26 -1.22 107.32 111.18 1nzr s GLY 88 Ca 0.23 -1.98 -0.27 0.00 0.00 0.00 0.00 44.72 42.70 1nzr s GLY 88 CO 0.15 -1.40 1.11 -1.35 0.00 0.00 0.00 173.10 171.61 1nzr s SER 89 N -4.77 6.95 -0.00 1.64 1.04 -0.93 -2.05 113.70 115.58 1nzr s SER 89 Ca 0.66 2.25 0.00 0.00 0.48 0.00 0.00 55.95 59.35 1nzr s SER 89 Cb -0.04 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1nzr s SER 89 CO 0.43 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1nzr n GLY 90 N 0.84 0.43 3.83 7.32 0.00 -0.20 -4.97 105.19 112.45 1nzr n GLY 90 Ca 0.02 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.29 3.03 0.22 1.61 2.02 -0.87 -4.97 118.70 119.45 1nzr s GLU 91 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1nzr s GLU 91 Cb 0.00 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.46 1nzr s GLU 91 CO 0.00 0.49 0.10 -1.59 0.02 0.00 0.00 175.26 174.28 1nzr s LYS 92 N -3.14 1.27 0.21 1.61 -2.85 -1.26 -2.69 119.74 112.88 1nzr s LYS 92 Ca 0.32 -1.67 -0.19 0.00 -1.00 0.00 0.00 55.97 53.42 1nzr s LYS 92 Cb -0.10 -0.03 0.04 0.00 -2.06 0.00 0.00 37.83 35.67 1nzr s LYS 92 CO 0.25 -0.31 0.58 0.34 0.10 0.00 0.00 175.35 176.31 1nzr s ASP 93 N -3.22 -0.33 0.03 0.03 2.15 0.54 -4.98 116.67 110.88 1nzr s ASP 93 Ca 0.36 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.94 1nzr s ASP 93 Cb 0.07 0.62 -0.02 0.00 -0.30 0.00 0.00 42.92 43.29 1nzr s ASP 93 CO 0.11 -1.10 -0.04 -0.55 -0.17 0.00 0.00 175.17 173.42 1nzr s SER 94 N -2.86 0.44 -0.08 -0.34 0.15 -1.26 -0.27 113.70 109.49 1nzr s SER 94 Ca 0.08 -0.59 -0.08 0.00 0.70 0.00 0.00 55.95 56.05 1nzr s SER 94 Cb -0.02 0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1nzr s SER 94 CO -0.03 -0.32 0.23 0.54 1.20 0.00 0.00 173.24 174.86 1nzr s VAL 95 N -1.82 0.01 -0.07 4.45 0.11 -0.93 -4.93 120.40 117.22 1nzr s VAL 95 Ca -0.11 -0.04 0.04 0.00 -2.93 0.00 0.00 61.98 58.94 1nzr s VAL 95 Cb -0.07 -0.34 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 1nzr s VAL 95 CO -0.02 -0.02 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.65 1nzr s THR 96 N 0.02 1.64 0.20 5.04 2.01 -1.26 -0.73 115.64 122.56 1nzr s THR 96 Ca -0.01 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.25 1nzr s THR 96 Cb -0.02 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 1nzr s THR 96 CO 0.00 0.47 -0.10 0.72 -0.69 0.00 0.00 174.62 175.02 1nzr s PHE 97 N 0.29 1.57 -0.13 4.92 -0.12 -0.67 -4.94 117.98 118.90 1nzr s PHE 97 Ca -0.12 -0.70 -0.27 0.00 -0.05 0.00 0.00 56.93 55.80 1nzr s PHE 97 Cb -0.15 -0.80 -0.02 0.00 -0.63 0.00 0.00 43.02 41.43 1nzr s PHE 97 CO 0.05 0.20 0.88 0.34 -0.05 0.00 0.00 175.22 176.64 1nzr s ASP 98 N -3.28 7.07 0.57 1.98 2.15 -1.26 -1.19 116.67 122.71 1nzr s ASP 98 Ca 0.22 1.31 0.38 0.00 0.43 0.00 0.00 52.55 54.89 1nzr s ASP 98 Cb 0.02 -2.49 1.84 0.00 -0.30 0.00 0.00 42.92 41.99 1nzr s ASP 98 CO 0.06 -0.38 2.13 0.58 -0.17 0.00 0.00 175.17 177.39 1nzr h VAL 99 N 5.10 0.00 0.00 1.11 2.07 -1.69 -1.23 116.25 121.61 1nzr h VAL 99 Ca -0.32 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1nzr h VAL 99 Cb 1.15 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1nzr h VAL 99 CO 0.83 0.00 0.00 0.28 0.02 0.00 0.00 177.57 178.70 1nzr h SER 100 N 0.00 0.00 -0.34 0.57 0.02 -1.89 -0.88 113.55 111.03 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 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1nzr h SER 100 CO 0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 1nzr n LYS 101 N -2.30 1.97 -4.33 3.45 5.02 -0.47 -4.83 118.16 116.68 1nzr n LYS 101 Ca 0.00 -1.30 -0.28 0.00 -2.02 0.00 0.00 58.31 54.72 1nzr n LYS 101 Cb 0.13 -1.36 -0.11 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.05 2.74 0.06 -0.35 1.43 -0.34 -5.10 118.68 116.07 1nzr s LEU 102 Ca 0.24 -0.64 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 1nzr s LEU 102 Cb 0.13 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1nzr s LEU 102 CO 0.15 0.14 -0.15 -1.59 0.23 0.00 0.00 176.35 175.13 1nzr s LYS 103 N -2.52 0.91 0.43 1.70 -2.85 -1.26 -5.03 119.74 111.12 1nzr s LYS 103 Ca 0.21 -0.86 -0.25 0.00 -1.00 0.00 0.00 55.97 54.07 1nzr s LYS 103 Cb -0.09 -0.93 -0.08 0.00 -2.06 0.00 0.00 37.83 34.67 1nzr s LYS 103 CO 0.12 0.22 1.27 -1.83 0.10 0.00 0.00 175.35 175.23 1nzr s GLU 104 N -1.43 3.82 0.00 1.78 -1.05 -1.26 -3.19 118.70 117.37 1nzr s GLU 104 Ca 0.00 2.06 0.00 0.00 -0.15 0.00 0.00 54.97 56.89 1nzr s GLU 104 Cb -0.09 -2.61 0.00 0.00 -0.44 0.00 0.00 34.13 30.99 1nzr s GLU 104 CO 0.02 -0.58 0.00 0.41 0.95 0.00 0.00 175.26 176.05 1nzr n GLY 105 N 0.63 0.75 3.43 -3.83 0.00 -1.26 -5.05 105.19 99.86 1nzr n GLY 105 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.50 2.56 -0.21 1.61 2.12 -1.19 -5.10 118.70 117.99 1nzr s GLU 106 Ca 0.00 -0.74 -0.24 0.00 0.36 0.00 0.00 54.97 54.36 1nzr s GLU 106 Cb 0.00 -2.35 -0.01 0.00 0.26 0.00 0.00 34.13 32.03 1nzr s GLU 106 CO 0.00 0.55 0.77 -0.65 -0.54 0.00 0.00 175.26 175.39 1nzr s GLN 107 N -0.56 4.23 0.27 4.30 -0.21 -1.26 -4.86 119.66 121.57 1nzr s GLN 107 Ca 0.08 0.86 0.09 0.00 0.02 0.00 0.00 55.36 56.41 1nzr s GLN 107 Cb -0.11 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.25 1nzr s GLN 107 CO 0.01 -0.37 0.05 0.71 -2.12 0.00 0.00 175.29 173.57 1nzr s TYR 108 N 2.34 2.79 -0.04 0.91 2.02 -1.24 -1.19 117.35 122.94 1nzr s TYR 108 Ca 0.34 -0.21 -0.03 0.00 -0.37 0.00 0.00 57.07 56.80 1nzr s TYR 108 Cb -0.16 -1.27 0.02 0.00 -0.40 0.00 0.00 41.96 40.14 1nzr s TYR 108 CO 0.10 0.58 0.10 -1.64 -1.57 0.00 0.00 175.55 173.12 1nzr s MET 109 N -3.73 0.10 0.16 -0.62 -1.94 -0.73 -2.30 119.30 110.24 1nzr s MET 109 Ca 0.32 0.19 0.04 0.00 -1.71 0.00 0.00 55.69 54.53 1nzr s MET 109 Cb -0.06 -0.02 -0.04 0.00 2.01 0.00 0.00 34.83 36.72 1nzr s MET 109 CO 0.21 -0.06 0.22 -0.59 -0.01 0.00 0.00 175.02 174.79 1nzr s PHE 110 N 0.37 3.32 0.10 -0.03 -0.71 -0.13 -2.64 117.98 118.27 1nzr s PHE 110 Ca -0.03 0.05 -0.27 0.00 -1.04 0.00 0.00 56.93 55.64 1nzr s PHE 110 Cb -0.04 -1.59 0.08 0.00 -1.21 0.00 0.00 43.02 40.26 1nzr s PHE 110 CO -0.01 0.52 1.07 -0.59 -1.34 0.00 0.00 175.22 174.86 1nzr s PHE 111 N -1.76 -0.09 -0.14 3.49 -0.12 -0.18 -1.71 117.98 117.46 1nzr s PHE 111 Ca 0.33 -0.15 -0.04 0.00 -0.05 0.00 0.00 56.93 57.02 1nzr s PHE 111 Cb -0.10 0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 1nzr s PHE 111 CO 0.26 -0.65 -0.01 0.00 -0.05 0.00 0.00 175.22 174.76 1nzr n THR 113 N 3.20 0.00 -1.78 0.00 -2.24 -1.26 -3.21 114.28 109.00 1nzr n THR 113 Ca -0.17 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1nzr n THR 113 Cb 0.53 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 1nzr n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1nzr s PHE 114 N -2.14 2.52 -0.16 4.78 2.19 -1.26 -4.27 117.98 119.65 1nzr s PHE 114 Ca 0.32 0.22 -0.41 0.00 0.33 0.00 0.00 56.93 57.38 1nzr s PHE 114 Cb 0.20 -4.10 -0.19 0.00 -1.31 0.00 0.00 43.02 37.62 1nzr s PHE 114 CO 0.38 -4.37 1.20 -2.30 1.83 0.00 0.00 175.22 171.97 1nzr n PRO 115 N 4.97 0.00 0.00 10.12 -0.02 -1.26 -0.77 135.00 148.03 1nzr n PRO 115 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1nzr n PRO 115 Cb 0.38 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 2.23 2.45 0.22 -1.23 0.00 -1.26 -4.87 105.19 102.72 1nzr n GLY 116 Ca 0.23 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.28 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 0.11 0.00 1.61 3.86 -1.22 -3.00 115.15 116.52 1nzr h HIS 117 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1nzr h HIS 117 Cb 0.00 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1nzr h HIS 117 CO 0.00 0.33 0.00 -1.13 0.86 0.00 0.00 177.93 177.99 1nzr n SER 118 N -4.23 0.60 -0.20 2.45 3.41 -1.20 -0.63 113.62 113.82 1nzr n SER 118 Ca -0.02 0.66 0.17 0.00 -0.26 0.00 0.00 58.87 59.43 1nzr n SER 118 Cb 0.31 -0.78 0.51 0.00 -0.26 0.00 0.00 64.21 63.98 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 2.25 2.15 0.00 7.33 0.00 -1.87 -3.33 119.26 125.80 1nzr h ALA 119 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nzr h ALA 119 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nzr h ALA 119 CO 0.00 -0.39 -0.78 1.28 0.00 0.00 0.00 179.25 179.36 1nzr n LEU 120 N -4.49 1.26 -4.11 0.00 4.77 -0.42 -4.85 117.00 109.15 1nzr n LEU 120 Ca 0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 1nzr n LEU 120 Cb 0.61 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1nzr n LEU 120 CO 0.32 0.21 2.33 0.23 -1.33 0.00 0.00 177.39 179.15 1nzr n MET 121 N -2.00 2.91 -3.63 3.23 2.81 0.20 -4.78 117.12 115.86 1nzr n MET 121 Ca 0.00 -2.86 -0.13 0.00 -1.81 0.00 0.00 57.70 52.90 1nzr n MET 121 Cb 0.39 -3.38 -0.06 0.00 -0.71 0.00 0.00 33.22 29.46 1nzr n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1nzr s LYS 122 N 3.79 0.95 0.31 0.03 -2.85 -1.26 -1.57 119.74 119.15 1nzr s LYS 122 Ca 0.51 -0.28 -0.18 0.00 -1.00 0.00 0.00 55.97 55.02 1nzr s LYS 122 Cb 0.09 0.43 0.06 0.00 -2.06 0.00 0.00 37.83 36.35 1nzr s LYS 122 CO -0.00 -0.33 0.87 0.20 0.10 0.00 0.00 175.35 176.19 1nzr s GLY 123 N -1.92 0.26 -0.05 0.59 0.00 -0.69 -4.70 107.32 100.80 1nzr s GLY 123 Ca -0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 44.72 44.04 1nzr s GLY 123 CO -0.01 0.61 0.12 -0.51 0.00 0.00 0.00 173.10 173.31 1nzr s THR 124 N -2.33 5.14 -0.01 0.90 -4.23 -0.62 -0.96 115.64 113.53 1nzr s THR 124 Ca 0.17 -0.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.60 1nzr s THR 124 Cb -0.04 -3.31 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 1nzr s THR 124 CO 0.09 0.47 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.35 1nzr s LEU 125 N -1.45 3.17 -0.13 4.79 0.20 -0.97 0.35 118.68 124.64 1nzr s LEU 125 Ca 0.20 -0.13 -0.07 0.00 0.69 0.00 0.00 54.13 54.83 1nzr s LEU 125 Cb -0.12 -1.79 0.05 0.00 -0.43 0.00 0.00 46.19 43.89 1nzr s LEU 125 CO 0.10 0.30 0.30 0.28 -0.29 0.00 0.00 176.35 177.04 1nzr s THR 126 N -0.96 -0.03 -0.18 3.68 -1.32 -0.05 -3.65 115.64 113.13 1nzr s THR 126 Ca 0.16 0.12 -0.29 0.00 -1.21 0.00 0.00 61.69 60.47 1nzr s THR 126 Cb -0.11 -0.46 -0.02 0.00 -1.51 0.00 0.00 72.50 70.40 1nzr s THR 126 CO 0.06 0.05 1.37 -0.76 -2.21 0.00 0.00 174.62 173.14 1nzr s LEU 127 N 1.23 4.11 0.00 9.08 1.43 -1.26 -0.52 118.68 132.75 1nzr s LEU 127 Ca -0.09 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 1nzr s LEU 127 Cb -0.09 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1nzr s LEU 127 CO -0.09 -0.91 0.00 0.29 0.23 0.00 0.00 176.35 175.87