#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nzk n PHE 1 N 0.00 0.93 -2.67 -1.40 7.35 -1.26 -5.02 117.46 115.39 1nzk n PHE 1 Ca 0.00 -1.60 -0.43 0.00 -0.76 0.00 0.00 57.45 54.66 1nzk n PHE 1 Cb 0.00 -0.25 -0.02 0.00 0.35 0.00 0.00 39.48 39.56 1nzk n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1nzk s ASN 2 N -3.18 7.04 0.04 -2.13 0.01 -1.26 -5.01 114.94 110.45 1nzk s ASN 2 Ca 0.39 1.28 0.00 0.00 -0.71 0.00 0.00 52.86 53.83 1nzk s ASN 2 Cb 0.38 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 1nzk s ASN 2 CO -0.05 -0.71 0.14 -0.76 -1.51 0.00 0.00 177.10 174.20 1nzk s LEU 3 N 3.29 4.09 0.25 0.60 1.43 -1.26 -1.14 118.68 125.94 1nzk s LEU 3 Ca 0.44 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.59 1nzk s LEU 3 Cb -0.14 -2.61 -0.08 0.00 0.03 0.00 0.00 46.19 43.39 1nzk s LEU 3 CO 0.08 0.21 0.61 -2.16 0.23 0.00 0.00 176.35 175.32 1nzk s PRO 4 N -2.21 3.89 0.82 1.29 0.04 -1.26 -4.67 135.00 132.90 1nzk s PRO 4 Ca 0.29 0.42 -0.11 0.00 0.04 0.00 0.00 61.00 61.64 1nzk s PRO 4 Cb -0.12 -2.62 0.09 0.00 0.04 0.00 0.00 34.50 31.88 1nzk s PRO 4 CO 0.22 0.29 1.09 -1.25 0.04 0.00 0.00 177.00 177.39 1nzk s PRO 5 N -2.76 1.85 0.00 0.56 0.04 -1.26 -4.97 135.00 128.46 1nzk s PRO 5 Ca 0.48 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1nzk s PRO 5 Cb -0.11 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1nzk s PRO 5 CO 0.20 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 175.82 1nzk n GLY 6 N -1.56 3.15 3.28 0.56 0.00 -1.26 -5.09 105.19 104.28 1nzk n GLY 6 Ca 0.07 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.01 1nzk n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nzk s ASN 7 N 0.00 1.49 0.00 1.61 2.20 -1.26 -5.06 114.94 113.92 1nzk s ASN 7 Ca 0.00 -1.20 0.23 0.00 -0.94 0.00 0.00 52.86 50.94 1nzk s ASN 7 Cb 0.00 0.07 0.54 0.00 -2.00 0.00 0.00 41.25 39.86 1nzk s ASN 7 CO 0.00 -0.55 1.47 -1.22 -2.94 0.00 0.00 177.10 173.86 1nzk n TYR 8 N -0.33 0.72 -0.16 1.54 4.01 -1.26 -4.54 117.16 117.14 1nzk n TYR 8 Ca -0.05 -0.36 -0.03 0.00 -0.16 0.00 0.00 57.90 57.30 1nzk n TYR 8 Cb 0.64 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.73 1nzk n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1nzk h LYS 9 N 4.27 0.22 -6.39 -0.72 1.57 -1.97 -3.43 116.57 110.12 1nzk h LYS 9 Ca 0.00 -0.01 -0.63 0.00 -1.87 0.00 0.00 60.65 58.14 1nzk h LYS 9 Cb 0.96 -0.05 -0.12 0.00 0.08 0.00 0.00 32.23 33.09 1nzk h LYS 9 CO 0.00 0.15 -0.68 0.15 -0.57 0.00 0.00 179.45 178.50 1nzk s LYS 10 N -6.14 2.36 0.88 3.15 1.02 -1.26 -5.05 119.74 114.70 1nzk s LYS 10 Ca -0.13 -1.04 -0.10 0.00 0.02 0.00 0.00 55.97 54.72 1nzk s LYS 10 Cb 0.15 -2.38 0.13 0.00 -0.52 0.00 0.00 37.83 35.21 1nzk s LYS 10 CO 0.73 0.48 1.14 -1.25 -0.92 0.00 0.00 175.35 175.53 1nzk s PRO 11 N -2.64 1.26 0.26 -1.68 0.04 -1.26 -4.74 135.00 126.24 1nzk s PRO 11 Ca 0.26 1.49 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 1nzk s PRO 11 Cb -0.10 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1nzk s PRO 11 CO 0.17 -2.45 0.43 -1.59 0.04 0.00 0.00 177.00 173.60 1nzk s LYS 12 N -4.67 1.55 0.05 4.56 -2.85 0.15 -2.47 119.74 116.05 1nzk s LYS 12 Ca 0.66 -1.39 0.01 0.00 -1.00 0.00 0.00 55.97 54.25 1nzk s LYS 12 Cb -0.22 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 1nzk s LYS 12 CO 0.57 -0.63 0.13 -0.51 0.10 0.00 0.00 175.35 175.01 1nzk s LEU 13 N -3.07 4.05 -0.51 2.77 1.43 0.32 -0.78 118.68 122.88 1nzk s LEU 13 Ca 0.26 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1nzk s LEU 13 Cb 0.01 -2.60 0.13 0.00 0.03 0.00 0.00 46.19 43.76 1nzk s LEU 13 CO 0.11 0.20 0.30 -0.76 0.23 0.00 0.00 176.35 176.43 1nzk s LEU 14 N -2.25 5.03 -0.16 1.79 1.43 -1.26 -0.06 118.68 123.19 1nzk s LEU 14 Ca 0.30 -2.57 -0.21 0.00 -1.03 0.00 0.00 54.13 50.62 1nzk s LEU 14 Cb -0.12 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1nzk s LEU 14 CO 0.22 -0.40 0.62 -0.47 0.23 0.00 0.00 176.35 176.55 1nzk s TYR 15 N 0.35 3.44 -0.43 0.29 5.04 -0.63 -0.61 117.35 124.79 1nzk s TYR 15 Ca 0.14 0.99 -0.13 0.00 -2.44 0.00 0.00 57.07 55.63 1nzk s TYR 15 Cb -0.22 -2.76 0.06 0.00 0.35 0.00 0.00 41.96 39.39 1nzk s TYR 15 CO -0.04 -0.07 0.31 0.00 -1.34 0.00 0.00 175.55 174.41 1nzk n SER 17 N 5.07 0.55 0.13 0.00 3.41 -1.25 0.20 113.62 121.72 1nzk n SER 17 Ca -0.11 0.64 -0.14 0.00 -0.26 0.00 0.00 58.87 58.99 1nzk n SER 17 Cb 0.44 -0.76 -0.07 0.00 -0.26 0.00 0.00 64.21 63.56 1nzk n SER 17 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1nzk h ASN 18 N 0.00 -1.19 -0.01 4.04 -1.24 -1.82 -3.19 115.58 112.18 1nzk h ASN 18 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.14 1nzk h ASN 18 Cb 0.33 0.44 0.00 0.00 0.73 0.00 0.00 38.32 39.82 1nzk h ASN 18 CO 0.00 -0.49 -0.12 0.61 -1.29 0.00 0.00 177.43 176.14 1nzk n GLY 19 N -1.46 -0.30 2.00 1.57 0.00 -1.20 -4.78 105.19 101.02 1nzk n GLY 19 Ca -0.07 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 1nzk n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nzk n GLY 20 N 0.73 0.21 3.48 -0.02 0.00 0.52 -4.98 105.19 105.13 1nzk n GLY 20 Ca 0.04 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1nzk n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nzk s HIS 21 N -3.13 2.51 -0.12 1.61 3.76 0.60 -4.58 115.29 115.94 1nzk s HIS 21 Ca 0.06 -0.28 -0.14 0.00 -0.15 0.00 0.00 55.06 54.55 1nzk s HIS 21 Cb -0.03 -1.33 -0.05 0.00 1.11 0.00 0.00 32.58 32.29 1nzk s HIS 21 CO 0.27 0.39 0.34 -0.06 -0.85 0.00 0.00 174.74 174.83 1nzk s PHE 22 N -1.16 3.53 0.49 1.40 0.08 0.02 0.12 117.98 122.47 1nzk s PHE 22 Ca 0.18 0.73 -0.24 0.00 0.12 0.00 0.00 56.93 57.71 1nzk s PHE 22 Cb -0.10 -2.35 -0.07 0.00 -0.57 0.00 0.00 43.02 39.93 1nzk s PHE 22 CO 0.10 0.34 1.42 -1.17 -0.10 0.00 0.00 175.22 175.80 1nzk s LEU 23 N 0.09 4.02 -0.06 -0.37 2.96 0.22 -1.59 118.68 123.96 1nzk s LEU 23 Ca 0.20 2.90 -0.05 0.00 -0.22 0.00 0.00 54.13 56.96 1nzk s LEU 23 Cb -0.14 -4.04 0.01 0.00 0.50 0.00 0.00 46.19 42.52 1nzk s LEU 23 CO 0.07 -1.34 0.15 -0.60 -1.32 0.00 0.00 176.35 173.31 1nzk s ARG 24 N -2.61 0.17 -0.28 1.98 3.52 0.12 -4.38 118.95 117.47 1nzk s ARG 24 Ca 0.65 0.21 0.03 0.00 -0.13 0.00 0.00 55.73 56.48 1nzk s ARG 24 Cb -0.43 0.08 0.08 0.00 -1.56 0.00 0.00 34.95 33.11 1nzk s ARG 24 CO 0.54 -0.02 -0.03 0.42 -0.81 0.00 0.00 175.30 175.40 1nzk s ILE 25 N 0.09 1.98 0.60 4.11 1.01 -0.81 -1.30 121.20 126.88 1nzk s ILE 25 Ca -0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 60.65 58.73 1nzk s ILE 25 Cb -0.01 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1nzk s ILE 25 CO 0.00 -0.27 1.07 -0.76 0.00 0.00 0.00 174.94 174.98 1nzk s LEU 26 N 1.13 3.50 0.56 2.97 1.43 0.10 -4.84 118.68 123.53 1nzk s LEU 26 Ca -0.01 1.88 0.28 0.00 -1.03 0.00 0.00 54.13 55.26 1nzk s LEU 26 Cb -0.19 -4.54 1.47 0.00 0.03 0.00 0.00 46.19 42.96 1nzk s LEU 26 CO -0.08 -1.27 1.96 -0.65 0.23 0.00 0.00 176.35 176.54 1nzk h PRO 27 N 0.41 0.00 -0.01 1.29 0.11 -1.98 0.65 132.00 132.47 1nzk h PRO 27 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1nzk h PRO 27 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1nzk h PRO 27 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 1nzk n ASP 28 N -4.04 0.64 0.00 -2.05 5.75 -1.26 -4.88 116.55 110.71 1nzk n ASP 28 Ca 0.10 -1.25 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 1nzk n ASP 28 Cb 0.65 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 1nzk n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nzk n GLY 29 N 1.06 0.37 3.76 6.12 0.00 0.23 -4.97 105.19 111.75 1nzk n GLY 29 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1nzk n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nzk s THR 30 N -2.11 2.48 -0.11 2.61 2.01 -1.24 -1.16 115.64 118.12 1nzk s THR 30 Ca 0.00 0.43 0.01 0.00 0.31 0.00 0.00 61.69 62.45 1nzk s THR 30 Cb 0.00 -3.28 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1nzk s THR 30 CO 0.00 0.08 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.17 1nzk s VAL 31 N -0.44 2.83 0.00 3.82 1.01 -1.26 0.02 120.40 126.38 1nzk s VAL 31 Ca 0.57 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1nzk s VAL 31 Cb -0.43 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1nzk s VAL 31 CO 0.49 0.54 0.00 -0.90 0.00 0.00 0.00 175.10 175.23 1nzk n ASP 32 N 3.37 0.00 -4.16 3.32 5.75 -0.42 -4.31 116.55 120.10 1nzk n ASP 32 Ca -0.18 -0.13 -0.18 0.00 -0.01 0.00 0.00 54.79 54.29 1nzk n ASP 32 Cb 0.53 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.50 1nzk n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1nzk s GLY 33 N -0.13 0.84 0.01 6.12 0.00 0.46 0.16 107.32 114.78 1nzk s GLY 33 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1nzk s GLY 33 CO 0.00 -0.99 -0.02 -1.08 0.00 0.00 0.00 173.10 171.01 1nzk s THR 34 N -1.23 0.06 -0.89 0.90 -1.32 -0.62 -4.75 115.64 107.78 1nzk s THR 34 Ca -0.02 -0.49 0.26 0.00 -1.21 0.00 0.00 61.69 60.23 1nzk s THR 34 Cb -0.10 -0.14 0.08 0.00 -1.51 0.00 0.00 72.50 70.83 1nzk s THR 34 CO 0.02 -0.27 1.52 0.54 -2.21 0.00 0.00 174.62 174.22 1nzk n ARG 35 N 2.29 0.09 -2.20 7.08 1.74 -1.26 -0.80 116.66 123.60 1nzk n ARG 35 Ca -0.18 0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.53 1nzk n ARG 35 Cb 0.57 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 1nzk n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nzk s ASP 36 N -3.39 5.70 0.49 0.55 2.15 -1.26 -4.85 116.67 116.06 1nzk s ASP 36 Ca 0.10 0.35 0.33 0.00 0.43 0.00 0.00 52.55 53.76 1nzk s ASP 36 Cb 0.16 -2.54 1.60 0.00 -0.30 0.00 0.00 42.92 41.84 1nzk s ASP 36 CO 0.67 -2.04 2.00 -0.09 -0.17 0.00 0.00 175.17 175.53 1nzk h ARG 37 N 13.00 0.00 -0.00 4.34 9.65 -2.01 -2.25 114.38 137.11 1nzk h ARG 37 Ca -0.27 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 1nzk h ARG 37 Cb 1.13 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 1nzk h ARG 37 CO 1.19 0.00 -0.22 -1.13 2.80 0.00 0.00 179.97 182.61 1nzk n SER 38 N -2.77 0.35 -4.63 -3.80 3.41 -1.26 -4.92 113.62 100.00 1nzk n SER 38 Ca -0.01 -0.11 -0.45 0.00 -0.26 0.00 0.00 58.87 58.05 1nzk n SER 38 Cb 0.17 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 1nzk n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1nzk n ASP 39 N -1.33 1.92 -0.73 4.04 -0.08 -0.85 -4.88 116.55 114.64 1nzk n ASP 39 Ca 0.09 1.18 0.08 0.00 -1.51 0.00 0.00 54.79 54.62 1nzk n ASP 39 Cb 0.32 -1.35 0.23 0.00 2.34 0.00 0.00 41.12 42.66 1nzk n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nzk n GLN 40 N 1.03 1.93 -0.32 -0.67 1.13 -1.26 -4.19 117.38 115.03 1nzk n GLN 40 Ca 0.09 -1.43 0.08 0.00 -1.94 0.00 0.00 57.00 53.80 1nzk n GLN 40 Cb 0.32 -1.35 0.17 0.00 0.11 0.00 0.00 30.24 29.49 1nzk n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1nzk n HIS 41 N 0.66 0.00 0.04 1.08 8.25 -1.26 -4.65 115.22 119.33 1nzk n HIS 41 Ca 0.15 -1.19 0.02 0.00 -0.26 0.00 0.00 57.72 56.44 1nzk n HIS 41 Cb 0.35 -0.19 0.05 0.00 1.12 0.00 0.00 29.99 31.32 1nzk n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1nzk n ILE 42 N -1.25 0.59 -3.64 1.59 -5.35 -1.26 -1.92 119.36 108.11 1nzk n ILE 42 Ca 0.17 -0.79 -0.36 0.00 -0.27 0.00 0.00 62.75 61.50 1nzk n ILE 42 Cb 0.67 0.75 -0.08 0.00 -1.74 0.00 0.00 39.64 39.24 1nzk n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1nzk s GLN 43 N -0.75 4.21 0.04 6.28 1.11 -1.26 -4.40 119.66 124.89 1nzk s GLN 43 Ca 0.08 -0.10 0.05 0.00 0.01 0.00 0.00 55.36 55.40 1nzk s GLN 43 Cb 0.05 -3.44 -0.02 0.00 -1.01 0.00 0.00 33.01 28.59 1nzk s GLN 43 CO 0.06 0.25 -0.15 -0.06 0.01 0.00 0.00 175.29 175.40 1nzk s PHE 44 N 0.49 1.30 -0.34 0.91 0.08 0.04 -1.57 117.98 118.89 1nzk s PHE 44 Ca 0.11 -0.37 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 1nzk s PHE 44 Cb -0.12 -0.77 0.00 0.00 -0.57 0.00 0.00 43.02 41.57 1nzk s PHE 44 CO 0.01 0.05 0.19 -1.14 -0.10 0.00 0.00 175.22 174.23 1nzk s GLN 45 N -1.22 3.17 0.22 0.44 2.00 0.80 0.29 119.66 125.37 1nzk s GLN 45 Ca 0.02 -0.85 -0.06 0.00 -2.00 0.00 0.00 55.36 52.48 1nzk s GLN 45 Cb -0.08 -3.68 -0.06 0.00 0.80 0.00 0.00 33.01 29.99 1nzk s GLN 45 CO 0.01 -0.53 0.49 -0.51 -0.50 0.00 0.00 175.29 174.25 1nzk s LEU 46 N 1.61 4.16 0.03 3.68 1.02 -1.26 -1.45 118.68 126.48 1nzk s LEU 46 Ca 0.04 0.71 -0.12 0.00 0.02 0.00 0.00 54.13 54.78 1nzk s LEU 46 Cb -0.18 -3.48 0.02 0.00 0.02 0.00 0.00 46.19 42.57 1nzk s LEU 46 CO 0.07 -0.08 0.27 -0.94 0.02 0.00 0.00 176.35 175.69 1nzk s SER 47 N -2.72 -0.09 -0.06 2.29 1.04 -0.66 -4.81 113.70 108.68 1nzk s SER 47 Ca 0.44 -0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.65 1nzk s SER 47 Cb -0.11 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1nzk s SER 47 CO 0.26 -0.56 0.09 0.00 0.98 0.00 0.00 173.24 174.01 1nzk s ALA 48 N -2.27 3.65 0.00 5.32 0.00 -1.26 -0.81 121.76 126.39 1nzk s ALA 48 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1nzk s ALA 48 Cb -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1nzk s ALA 48 CO -0.02 0.65 0.00 -1.91 0.00 0.00 0.00 175.76 174.48 1nzk n GLU 49 N 1.66 0.00 -2.64 0.00 4.07 -0.84 -4.95 120.64 117.94 1nzk n GLU 49 Ca -0.16 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.72 1nzk n GLU 49 Cb 0.54 0.00 0.06 0.00 -0.06 0.00 0.00 31.44 31.97 1nzk n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1nzk s SER 50 N -1.00 5.04 0.19 4.31 0.01 -1.26 -4.93 113.70 116.06 1nzk s SER 50 Ca 0.00 -0.13 -0.33 0.00 1.31 0.00 0.00 55.95 56.80 1nzk s SER 50 Cb 0.00 -0.62 -0.13 0.00 0.21 0.00 0.00 66.02 65.48 1nzk s SER 50 CO 0.00 -1.33 1.63 0.52 0.41 0.00 0.00 173.24 174.47 1nzk n VAL 51 N -2.46 0.07 -0.60 3.43 0.31 -1.26 -1.12 118.33 116.71 1nzk n VAL 51 Ca 0.10 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1nzk n VAL 51 Cb 0.60 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1nzk n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nzk n GLY 52 N 3.55 1.43 3.63 2.92 0.00 -1.26 -5.01 105.19 110.45 1nzk n GLY 52 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1nzk n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nzk s GLU 53 N -0.14 3.10 0.07 1.61 2.02 -0.27 -0.99 118.70 124.09 1nzk s GLU 53 Ca 0.00 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.55 1nzk s GLU 53 Cb 0.00 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.40 1nzk s GLU 53 CO 0.00 0.60 -0.06 0.14 0.02 0.00 0.00 175.26 175.97 1nzk s VAL 54 N -0.61 0.49 -0.08 2.63 -7.23 0.47 -1.98 120.40 114.09 1nzk s VAL 54 Ca 0.10 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1nzk s VAL 54 Cb -0.12 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 1nzk s VAL 54 CO 0.02 -0.76 -0.10 -0.31 -0.31 0.00 0.00 175.10 173.64 1nzk s TYR 55 N -3.00 2.86 -0.30 2.82 2.02 0.01 -1.58 117.35 120.18 1nzk s TYR 55 Ca 0.03 -0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.60 1nzk s TYR 55 Cb 0.01 -1.73 0.07 0.00 -0.40 0.00 0.00 41.96 39.92 1nzk s TYR 55 CO -0.05 0.18 -0.01 0.42 -1.57 0.00 0.00 175.55 174.52 1nzk s ILE 56 N -0.53 2.50 -0.14 2.71 1.01 -1.26 -1.65 121.20 123.83 1nzk s ILE 56 Ca 0.08 -1.80 -0.02 0.00 0.00 0.00 0.00 60.65 58.91 1nzk s ILE 56 Cb -0.12 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 1nzk s ILE 56 CO 0.02 -0.25 -0.09 -0.75 0.00 0.00 0.00 174.94 173.87 1nzk s LYS 57 N 1.09 3.51 -0.07 2.79 2.20 -0.53 -0.59 119.74 128.15 1nzk s LYS 57 Ca -0.01 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 1nzk s LYS 57 Cb -0.20 -2.77 -0.05 0.00 -1.51 0.00 0.00 37.83 33.30 1nzk s LYS 57 CO -0.05 0.21 1.67 0.45 -0.36 0.00 0.00 175.35 177.27 1nzk s SER 58 N 0.40 6.61 0.44 1.43 0.15 0.15 -0.14 113.70 122.73 1nzk s SER 58 Ca -0.07 2.17 0.24 0.00 0.70 0.00 0.00 55.95 58.99 1nzk s SER 58 Cb -0.15 -2.53 0.91 0.00 -1.71 0.00 0.00 66.02 62.53 1nzk s SER 58 CO 0.04 -0.98 1.82 0.71 1.20 0.00 0.00 173.24 176.03 1nzk h THR 59 N 5.67 0.57 0.17 6.45 1.35 -1.61 0.30 112.91 125.80 1nzk h THR 59 Ca -0.39 -1.14 -0.31 0.00 -0.55 0.00 0.00 66.41 64.03 1nzk h THR 59 Cb 1.18 1.77 0.01 0.00 -1.73 0.00 0.00 68.15 69.39 1nzk h THR 59 CO 0.96 0.23 -1.40 -0.08 -0.25 0.00 0.00 175.52 174.97 1nzk h GLU 60 N 0.00 0.37 0.00 4.72 4.57 -1.83 -3.39 114.58 119.01 1nzk h GLU 60 Ca -0.00 -0.63 -0.00 0.00 -1.18 0.00 0.00 59.36 57.55 1nzk h GLU 60 Cb 0.76 0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1nzk h GLU 60 CO 0.03 1.28 -1.41 0.25 -1.18 0.00 0.00 179.01 177.99 1nzk n THR 61 N -3.58 0.01 -0.37 0.32 -2.24 -1.21 -5.00 114.28 102.21 1nzk n THR 61 Ca -0.14 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1nzk n THR 61 Cb 1.06 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1nzk n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nzk n GLY 62 N 2.01 1.37 3.80 3.38 0.00 0.10 -5.01 105.19 110.84 1nzk n GLY 62 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1nzk n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nzk s GLN 63 N -0.33 3.61 -0.10 1.61 -0.21 -1.25 -4.67 119.66 118.31 1nzk s GLN 63 Ca 0.00 1.36 -0.03 0.00 0.02 0.00 0.00 55.36 56.71 1nzk s GLN 63 Cb 0.00 -2.06 -0.03 0.00 1.00 0.00 0.00 33.01 31.91 1nzk s GLN 63 CO 0.00 -0.59 0.01 0.71 -2.12 0.00 0.00 175.29 173.29 1nzk s TYR 64 N -2.07 3.16 0.25 0.91 1.51 0.24 0.29 117.35 121.65 1nzk s TYR 64 Ca 0.67 0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 56.57 1nzk s TYR 64 Cb -0.17 -1.84 -0.10 0.00 -0.11 0.00 0.00 41.96 39.74 1nzk s TYR 64 CO 0.25 0.39 1.41 -1.17 -1.11 0.00 0.00 175.55 175.32 1nzk s LEU 65 N -0.64 4.39 0.11 -1.29 2.96 0.25 -0.06 118.68 124.41 1nzk s LEU 65 Ca 0.10 2.63 -0.10 0.00 -0.22 0.00 0.00 54.13 56.54 1nzk s LEU 65 Cb -0.12 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1nzk s LEU 65 CO 0.02 -0.66 0.25 0.00 -1.32 0.00 0.00 176.35 174.64 1nzk s ALA 66 N -0.11 -0.33 -0.08 5.97 0.00 -0.23 -4.32 121.76 122.66 1nzk s ALA 66 Ca 0.58 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 1nzk s ALA 66 Cb -0.41 0.60 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1nzk s ALA 66 CO 0.44 -0.56 -0.01 1.41 0.00 0.00 0.00 175.76 177.03 1nzk s MET 67 N -3.87 0.78 0.99 0.00 1.75 -0.47 -0.82 119.30 117.65 1nzk s MET 67 Ca 0.07 0.03 -0.15 0.00 -1.25 0.00 0.00 55.69 54.40 1nzk s MET 67 Cb 0.04 -1.07 0.18 0.00 2.84 0.00 0.00 34.83 36.82 1nzk s MET 67 CO -0.09 -0.28 1.17 0.16 -0.65 0.00 0.00 175.02 175.33 1nzk s ASP 68 N 1.87 2.86 0.40 1.11 1.47 0.41 -4.82 116.67 119.98 1nzk s ASP 68 Ca 0.04 0.73 0.27 0.00 1.18 0.00 0.00 52.55 54.78 1nzk s ASP 68 Cb -0.12 -1.12 1.46 0.00 -0.34 0.00 0.00 42.92 42.80 1nzk s ASP 68 CO -0.05 -2.93 1.83 0.71 0.68 0.00 0.00 175.17 175.41 1nzk h THR 69 N -1.77 0.00 -0.01 2.11 1.35 -2.01 0.12 112.91 112.70 1nzk h THR 69 Ca -0.48 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1nzk h THR 69 Cb 1.30 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1nzk h THR 69 CO 0.51 0.00 -0.33 0.47 -0.25 0.00 0.00 175.52 175.92 1nzk n ASP 70 N -2.46 1.81 0.00 5.36 8.00 -1.26 -4.96 116.55 123.04 1nzk n ASP 70 Ca -0.02 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1nzk n ASP 70 Cb 0.06 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1nzk n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nzk n GLY 71 N 1.37 0.79 3.80 0.44 0.00 0.41 -4.71 105.19 107.29 1nzk n GLY 71 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1nzk n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nzk s LEU 72 N 0.00 4.46 -0.09 0.99 1.02 -1.26 -0.22 118.68 123.57 1nzk s LEU 72 Ca 0.00 1.07 -0.21 0.00 0.02 0.00 0.00 54.13 55.02 1nzk s LEU 72 Cb 0.00 -2.75 -0.04 0.00 0.02 0.00 0.00 46.19 43.42 1nzk s LEU 72 CO 0.00 0.23 0.59 -0.69 0.02 0.00 0.00 176.35 176.50 1nzk s VAL 73 N -0.72 5.12 0.17 -1.59 1.01 -1.26 -0.44 120.40 122.69 1nzk s VAL 73 Ca 0.27 1.20 -0.09 0.00 0.00 0.00 0.00 61.98 63.36 1nzk s VAL 73 Cb -0.18 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1nzk s VAL 73 CO 0.15 0.29 0.29 -0.72 0.00 0.00 0.00 175.10 175.11 1nzk s TYR 74 N 0.71 0.45 -0.22 5.22 1.13 -0.00 -4.51 117.35 120.12 1nzk s TYR 74 Ca 0.32 -0.80 -0.19 0.00 -1.41 0.00 0.00 57.07 54.99 1nzk s TYR 74 Cb -0.16 -0.07 -0.03 0.00 -1.10 0.00 0.00 41.96 40.60 1nzk s TYR 74 CO 0.14 -0.74 0.55 0.20 -2.51 0.00 0.00 175.55 173.19 1nzk s GLY 75 N -2.99 1.97 -0.09 5.49 0.00 -0.31 -1.06 107.32 110.33 1nzk s GLY 75 Ca 0.19 -0.43 -0.07 0.00 0.00 0.00 0.00 44.72 44.41 1nzk s GLY 75 CO 0.02 1.22 0.17 -0.45 0.00 0.00 0.00 173.10 174.06 1nzk s SER 76 N 1.31 6.43 0.44 1.64 0.15 0.92 -4.80 113.70 119.79 1nzk s SER 76 Ca 0.24 0.50 0.22 0.00 0.70 0.00 0.00 55.95 57.61 1nzk s SER 76 Cb -0.16 -2.08 1.03 0.00 -1.71 0.00 0.00 66.02 63.11 1nzk s SER 76 CO 0.09 0.38 1.90 1.56 1.20 0.00 0.00 173.24 178.37 1nzk h GLN 77 N 4.76 0.00 -4.90 5.44 1.08 -1.91 0.72 115.11 120.29 1nzk h GLN 77 Ca -0.54 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.36 1nzk h GLN 77 Cb 1.22 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.48 1nzk h GLN 77 CO 0.60 0.25 -0.72 0.95 -0.95 0.00 0.00 178.83 178.95 1nzk s THR 78 N -3.97 0.91 -0.60 -0.54 -4.23 -1.26 -4.83 115.64 101.11 1nzk s THR 78 Ca -0.02 -1.71 -0.25 0.00 -1.18 0.00 0.00 61.69 58.53 1nzk s THR 78 Cb 0.12 -1.44 0.04 0.00 1.34 0.00 0.00 72.50 72.57 1nzk s THR 78 CO 0.65 -0.63 1.06 -2.16 -0.54 0.00 0.00 174.62 173.00 1nzk s PRO 79 N -3.03 3.32 0.01 3.99 0.04 -1.26 -4.78 135.00 133.29 1nzk s PRO 79 Ca 0.07 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1nzk s PRO 79 Cb -0.01 -4.09 -0.00 0.00 0.04 0.00 0.00 34.50 30.44 1nzk s PRO 79 CO -0.01 -1.68 0.00 0.27 0.04 0.00 0.00 177.00 175.63 1nzk n ASN 80 N 8.02 1.14 0.31 6.66 0.23 -1.26 -5.01 115.26 125.36 1nzk n ASN 80 Ca 0.03 -1.04 0.19 0.00 -0.53 0.00 0.00 54.58 53.23 1nzk n ASN 80 Cb 0.48 0.02 1.04 0.00 -2.08 0.00 0.00 39.78 39.24 1nzk n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1nzk h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 -0.60 114.58 112.27 1nzk h GLU 81 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1nzk h GLU 81 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1nzk h GLU 81 CO 0.01 0.01 -0.05 0.39 0.07 0.00 0.00 179.01 179.44 1nzk n GLU 82 N -3.42 0.50 0.00 1.06 1.02 -1.26 -3.43 120.64 115.11 1nzk n GLU 82 Ca -0.03 -0.07 0.10 0.00 -0.02 0.00 0.00 57.16 57.14 1nzk n GLU 82 Cb 0.10 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 1nzk n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nzk s LEU 84 N -2.36 4.30 0.05 0.00 1.43 -1.22 -4.48 118.68 116.39 1nzk s LEU 84 Ca 0.16 1.34 0.08 0.00 -1.03 0.00 0.00 54.13 54.67 1nzk s LEU 84 Cb 0.16 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 1nzk s LEU 84 CO 0.53 -0.24 -0.22 -0.36 0.23 0.00 0.00 176.35 176.29 1nzk s PHE 85 N 1.22 1.93 -0.45 0.29 0.40 -0.61 -0.51 117.98 120.25 1nzk s PHE 85 Ca 0.42 -0.38 -0.21 0.00 -0.60 0.00 0.00 56.93 56.16 1nzk s PHE 85 Cb -0.18 -1.15 0.03 0.00 0.51 0.00 0.00 43.02 42.23 1nzk s PHE 85 CO 0.20 0.11 0.66 -0.51 0.70 0.00 0.00 175.22 176.37 1nzk s LEU 86 N -1.22 4.52 -0.37 -0.37 1.43 0.14 -0.40 118.68 122.40 1nzk s LEU 86 Ca 0.08 -0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 52.58 1nzk s LEU 86 Cb -0.09 -2.72 0.01 0.00 0.03 0.00 0.00 46.19 43.42 1nzk s LEU 86 CO 0.02 -0.81 0.74 -0.70 0.23 0.00 0.00 176.35 175.83 1nzk s GLU 87 N 2.86 3.68 0.16 1.70 2.12 -0.16 -1.17 118.70 127.90 1nzk s GLU 87 Ca 0.22 0.18 0.05 0.00 0.36 0.00 0.00 54.97 55.79 1nzk s GLU 87 Cb -0.14 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.37 1nzk s GLU 87 CO 0.19 -0.86 -0.11 1.03 -0.54 0.00 0.00 175.26 174.96 1nzk s ARG 88 N 3.02 1.13 0.38 4.30 1.81 -0.24 -4.73 118.95 124.63 1nzk s ARG 88 Ca 0.29 -1.49 -0.20 0.00 -1.72 0.00 0.00 55.73 52.61 1nzk s ARG 88 Cb -0.13 -0.76 -0.10 0.00 -0.45 0.00 0.00 34.95 33.50 1nzk s ARG 88 CO 0.17 0.11 0.88 -1.17 -0.68 0.00 0.00 175.30 174.61 1nzk s LEU 89 N -3.21 4.03 -0.04 2.53 2.96 -0.29 -0.50 118.68 124.15 1nzk s LEU 89 Ca 0.18 1.59 -0.03 0.00 -0.22 0.00 0.00 54.13 55.65 1nzk s LEU 89 Cb 0.02 -4.33 0.02 0.00 0.50 0.00 0.00 46.19 42.39 1nzk s LEU 89 CO 0.02 -0.28 0.10 -0.70 -1.32 0.00 0.00 176.35 174.18 1nzk s GLU 90 N -2.97 0.09 -1.44 1.98 2.56 -0.11 -4.83 118.70 113.98 1nzk s GLU 90 Ca 0.58 0.19 -0.09 0.00 0.00 0.00 0.00 54.97 55.66 1nzk s GLU 90 Cb -0.11 -0.03 0.05 0.00 2.00 0.00 0.00 34.13 36.05 1nzk s GLU 90 CO 0.15 -0.06 0.69 0.39 -0.56 0.00 0.00 175.26 175.88 1nzk n GLU 91 N 3.40 -4.73 -1.91 4.30 1.02 -1.26 -0.92 120.64 120.54 1nzk n GLU 91 Ca -0.17 0.67 -0.15 0.00 -0.02 0.00 0.00 57.16 57.50 1nzk n GLU 91 Cb 0.57 -5.50 -0.04 0.00 -0.02 0.00 0.00 31.44 26.45 1nzk n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nzk n ASN 92 N -2.55 -4.16 0.06 1.62 4.13 -1.26 -4.62 115.26 108.48 1nzk n ASN 92 Ca -0.03 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1nzk n ASN 92 Cb 0.57 -3.67 0.00 0.00 -1.54 0.00 0.00 39.78 35.14 1nzk n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1nzk n HIS 93 N -2.74 -2.30 -2.19 3.10 -0.00 -0.10 -5.16 115.22 105.83 1nzk n HIS 93 Ca -0.16 0.36 -0.26 0.00 0.46 0.00 0.00 57.72 58.11 1nzk n HIS 93 Cb 0.56 1.18 0.10 0.00 -0.12 0.00 0.00 29.99 31.71 1nzk n HIS 93 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1nzk s TYR 94 N -2.00 2.46 -0.10 1.57 2.02 -0.59 -4.81 117.35 115.91 1nzk s TYR 94 Ca 0.00 0.33 -0.02 0.00 -0.37 0.00 0.00 57.07 57.01 1nzk s TYR 94 Cb 0.00 -3.36 -0.03 0.00 -0.40 0.00 0.00 41.96 38.17 1nzk s TYR 94 CO 0.00 -1.71 -0.02 -0.80 -1.57 0.00 0.00 175.55 171.45 1nzk s ASN 95 N -4.63 5.02 0.11 2.29 -0.87 0.14 -0.94 114.94 116.07 1nzk s ASN 95 Ca 0.64 0.04 0.09 0.00 -1.57 0.00 0.00 52.86 52.06 1nzk s ASN 95 Cb -0.09 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.25 39.61 1nzk s ASN 95 CO 0.46 0.32 -0.22 0.42 -2.57 0.00 0.00 177.10 175.51 1nzk s THR 96 N -0.51 1.80 -0.20 1.60 -4.23 0.34 -0.90 115.64 113.55 1nzk s THR 96 Ca 0.08 -1.59 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 1nzk s THR 96 Cb -0.12 -1.64 0.04 0.00 1.34 0.00 0.00 72.50 72.13 1nzk s THR 96 CO 0.02 -0.05 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.66 1nzk s TYR 97 N -1.19 2.27 -0.15 3.99 2.02 -1.26 -1.08 117.35 121.96 1nzk s TYR 97 Ca 0.08 -1.52 -0.06 0.00 -0.37 0.00 0.00 57.07 55.21 1nzk s TYR 97 Cb -0.10 -1.57 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1nzk s TYR 97 CO 0.05 -0.72 0.04 0.42 -1.57 0.00 0.00 175.55 173.77 1nzk s ILE 98 N 1.44 4.64 -0.07 2.71 1.01 -0.32 -1.62 121.20 128.99 1nzk s ILE 98 Ca -0.02 -0.10 -0.34 0.00 0.00 0.00 0.00 60.65 60.20 1nzk s ILE 98 Cb -0.16 -3.04 -0.11 0.00 0.01 0.00 0.00 42.46 39.15 1nzk s ILE 98 CO -0.08 0.52 1.89 -0.24 0.00 0.00 0.00 174.94 177.02 1nzk n SER 99 N 3.05 3.54 -0.02 3.58 2.88 -0.42 0.25 113.62 126.48 1nzk n SER 99 Ca -0.17 0.97 -0.12 0.00 -1.33 0.00 0.00 58.87 58.21 1nzk n SER 99 Cb 0.53 -1.39 -0.06 0.00 -0.75 0.00 0.00 64.21 62.53 1nzk n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1nzk h LYS 100 N 9.30 0.16 -0.98 -1.46 3.64 -1.12 0.68 116.57 126.78 1nzk h LYS 100 Ca -0.49 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 58.99 1nzk h LYS 100 Cb 1.27 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.98 1nzk h LYS 100 CO 0.95 0.33 0.62 -0.22 -2.27 0.00 0.00 179.45 178.86 1nzk h LYS 101 N -0.04 0.89 -0.38 1.90 3.64 -1.76 -2.20 116.57 118.62 1nzk h LYS 101 Ca 0.03 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.17 1nzk h LYS 101 Cb 0.24 -0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 31.75 1nzk h LYS 101 CO 0.00 0.59 -0.03 0.72 -2.27 0.00 0.00 179.45 178.47 1nzk n HIS 102 N -4.62 1.20 -0.30 1.91 8.25 -1.15 -4.77 115.22 115.74 1nzk n HIS 102 Ca 0.19 -1.55 0.16 0.00 -0.26 0.00 0.00 57.72 56.27 1nzk n HIS 102 Cb 0.40 -0.50 0.42 0.00 1.12 0.00 0.00 29.99 31.43 1nzk n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nzk h ALA 103 N 1.08 1.97 0.00 -1.41 0.00 -0.19 0.19 119.26 120.89 1nzk h ALA 103 Ca 0.23 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1nzk h ALA 103 Cb 1.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1nzk h ALA 103 CO 0.42 -0.30 0.00 1.05 0.00 0.00 0.00 179.25 180.42 1nzk h GLU 104 N 0.57 0.00 -0.00 0.00 9.09 -1.86 -1.98 114.58 120.40 1nzk h GLU 104 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 1nzk h GLU 104 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 1nzk h GLU 104 CO -0.27 0.00 -0.46 1.63 0.05 0.00 0.00 179.01 179.96 1nzk n LYS 105 N -2.88 0.02 -3.38 1.06 5.02 0.64 -4.96 118.16 113.69 1nzk n LYS 105 Ca 0.00 -0.01 -0.16 0.00 -2.02 0.00 0.00 58.31 56.11 1nzk n LYS 105 Cb 0.23 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.83 1nzk n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1nzk n ASN 106 N -1.48 -2.21 -4.53 4.39 5.03 -0.75 -4.97 115.26 110.75 1nzk n ASN 106 Ca 0.06 -0.61 -0.41 0.00 0.87 0.00 0.00 54.58 54.49 1nzk n ASN 106 Cb 0.34 -5.00 -0.09 0.00 -1.02 0.00 0.00 39.78 34.00 1nzk n ASN 106 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1nzk s TRP 107 N -3.35 3.20 0.32 3.10 0.52 -1.25 -4.41 118.94 117.07 1nzk s TRP 107 Ca 0.02 -0.10 0.08 0.00 0.02 0.00 0.00 56.10 56.11 1nzk s TRP 107 Cb -0.00 -2.71 -0.04 0.00 -1.15 0.00 0.00 33.47 29.57 1nzk s TRP 107 CO 0.71 -0.49 0.19 -0.06 0.02 0.00 0.00 176.95 177.32 1nzk s PHE 108 N 2.03 2.82 -0.02 -1.98 0.40 -1.26 -1.30 117.98 118.67 1nzk s PHE 108 Ca 0.12 -0.31 -0.24 0.00 -0.60 0.00 0.00 56.93 55.89 1nzk s PHE 108 Cb -0.17 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1nzk s PHE 108 CO 0.12 0.33 0.75 -1.17 0.70 0.00 0.00 175.22 175.94 1nzk s LEU 109 N -3.88 4.38 0.12 -0.37 2.96 -0.64 -4.52 118.68 116.72 1nzk s LEU 109 Ca 0.38 1.33 -0.23 0.00 -0.22 0.00 0.00 54.13 55.39 1nzk s LEU 109 Cb -0.05 -3.18 0.06 0.00 0.50 0.00 0.00 46.19 43.53 1nzk s LEU 109 CO 0.24 -0.07 0.57 -0.83 -1.32 0.00 0.00 176.35 174.94 1nzk s GLY 110 N 0.44 -0.55 -0.07 7.98 0.00 -1.26 -4.39 107.32 109.48 1nzk s GLY 110 Ca 0.39 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.66 1nzk s GLY 110 CO 0.21 0.21 -0.15 -0.42 0.00 0.00 0.00 173.10 172.94 1nzk s ILE 111 N -3.30 1.36 0.74 0.90 1.01 -0.77 -0.37 121.20 120.77 1nzk s ILE 111 Ca -0.01 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 1nzk s ILE 111 Cb -0.00 -1.21 0.04 0.00 0.01 0.00 0.00 42.46 41.29 1nzk s ILE 111 CO -0.09 0.40 1.08 -0.54 0.00 0.00 0.00 174.94 175.79 1nzk s LYS 112 N 0.51 2.51 0.60 2.79 1.02 0.06 -4.54 119.74 122.69 1nzk s LYS 112 Ca -0.14 1.01 0.33 0.00 0.02 0.00 0.00 55.97 57.20 1nzk s LYS 112 Cb -0.16 -1.94 1.81 0.00 -0.52 0.00 0.00 37.83 37.03 1nzk s LYS 112 CO 0.05 -1.42 2.01 0.87 -0.92 0.00 0.00 175.35 175.94 1nzk h LYS 113 N -0.96 0.00 -0.35 1.68 1.57 -1.89 0.27 116.57 116.89 1nzk h LYS 113 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1nzk h LYS 113 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1nzk h LYS 113 CO 0.55 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.70 1nzk n ASN 114 N -2.82 2.43 0.00 0.86 0.23 -1.26 -4.72 115.26 109.98 1nzk n ASN 114 Ca -0.02 -1.90 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 1nzk n ASN 114 Cb 0.22 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 1nzk n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nzk n GLY 115 N 1.26 0.89 3.82 4.83 0.00 0.94 -5.01 105.19 111.92 1nzk n GLY 115 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1nzk n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nzk s SER 116 N -2.88 6.69 0.47 1.61 1.04 -1.26 -0.40 113.70 118.96 1nzk s SER 116 Ca 0.00 0.81 -0.23 0.00 0.48 0.00 0.00 55.95 57.01 1nzk s SER 116 Cb 0.00 -2.22 -0.07 0.00 0.10 0.00 0.00 66.02 63.83 1nzk s SER 116 CO 0.00 0.27 1.22 -0.69 0.98 0.00 0.00 173.24 175.03 1nzk s VAL 117 N -0.69 2.83 0.50 5.02 1.01 -1.26 -0.76 120.40 127.06 1nzk s VAL 117 Ca 0.22 0.65 -0.05 0.00 0.00 0.00 0.00 61.98 62.79 1nzk s VAL 117 Cb -0.15 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1nzk s VAL 117 CO 0.10 0.01 0.81 -0.54 0.00 0.00 0.00 175.10 175.48 1nzk s LYS 118 N -2.65 3.38 0.03 2.72 1.02 0.50 -4.84 119.74 119.90 1nzk s LYS 118 Ca 0.64 0.12 -0.09 0.00 0.02 0.00 0.00 55.97 56.66 1nzk s LYS 118 Cb -0.32 -2.36 -0.05 0.00 -0.52 0.00 0.00 37.83 34.57 1nzk s LYS 118 CO 0.39 -0.32 0.33 1.03 -0.92 0.00 0.00 175.35 175.87 1nzk s ARG 119 N -4.79 3.69 0.21 1.68 0.52 -1.26 -4.58 118.95 114.41 1nzk s ARG 119 Ca 0.49 0.09 -0.19 0.00 -0.52 0.00 0.00 55.73 55.60 1nzk s ARG 119 Cb -0.10 -3.07 0.19 0.00 0.52 0.00 0.00 34.95 32.48 1nzk s ARG 119 CO 0.45 0.63 1.57 0.78 0.02 0.00 0.00 175.30 178.74 1nzk h GLY 120 N 4.04 -0.00 1.77 -3.53 0.00 -0.83 -0.07 103.07 104.45 1nzk h GLY 120 Ca -0.50 0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.32 1nzk h GLY 120 CO 0.65 -0.21 0.10 -2.55 0.00 0.00 0.00 176.54 174.53 1nzk h PRO 121 N -0.08 0.00 -0.37 4.80 0.11 -1.85 -1.28 132.00 133.34 1nzk h PRO 121 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1nzk h PRO 121 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1nzk h PRO 121 CO -0.84 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.49 1nzk n ARG 122 N -3.52 2.13 -4.07 1.05 5.12 -0.04 -4.90 116.66 112.43 1nzk n ARG 122 Ca -0.01 -1.73 -0.22 0.00 -1.93 0.00 0.00 57.85 53.95 1nzk n ARG 122 Cb 0.19 -1.43 -0.06 0.00 -1.16 0.00 0.00 32.46 30.00 1nzk n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1nzk s THR 123 N -1.51 3.38 -0.27 0.55 -4.23 -0.48 -4.93 115.64 108.14 1nzk s THR 123 Ca 0.35 -1.62 -0.38 0.00 -1.18 0.00 0.00 61.69 58.85 1nzk s THR 123 Cb 0.19 -3.05 0.16 0.00 1.34 0.00 0.00 72.50 71.13 1nzk s THR 123 CO 0.26 -0.23 1.37 -1.38 -0.54 0.00 0.00 174.62 174.10 1nzk s HIS 124 N -2.35 -0.02 0.31 3.99 -3.43 -1.26 -4.81 115.29 107.72 1nzk s HIS 124 Ca 0.37 0.01 -0.29 0.00 -0.80 0.00 0.00 55.06 54.36 1nzk s HIS 124 Cb -0.04 0.50 -0.13 0.00 -1.43 0.00 0.00 32.58 31.48 1nzk s HIS 124 CO 0.23 -0.04 1.25 0.66 -2.00 0.00 0.00 174.74 174.84 1nzk n TYR 125 N -0.04 2.04 0.00 0.38 4.01 -1.26 -2.75 117.16 119.54 1nzk n TYR 125 Ca 0.04 0.57 0.00 0.00 -0.16 0.00 0.00 57.90 58.35 1nzk n TYR 125 Cb 0.57 -2.39 0.00 0.00 -0.31 0.00 0.00 39.34 37.21 1nzk n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nzk n GLY 126 N 1.09 2.89 3.84 2.72 0.00 -1.26 -5.09 105.19 109.38 1nzk n GLY 126 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1nzk n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nzk s GLN 127 N -0.72 3.72 0.18 1.61 -0.21 -1.11 -4.98 119.66 118.14 1nzk s GLN 127 Ca 0.00 0.95 0.14 0.00 0.02 0.00 0.00 55.36 56.47 1nzk s GLN 127 Cb 0.00 -2.10 -0.05 0.00 1.00 0.00 0.00 33.01 31.86 1nzk s GLN 127 CO 0.00 -0.47 1.22 1.57 -2.12 0.00 0.00 175.29 175.49 1nzk h LYS 128 N 0.50 0.00 0.00 2.91 5.09 -1.98 -3.32 116.57 119.77 1nzk h LYS 128 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.27 1nzk h LYS 128 Cb 1.19 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.52 1nzk h LYS 128 CO 0.61 0.53 -0.05 0.00 -2.09 0.00 0.00 179.45 178.45 1nzk h ALA 129 N 1.37 1.57 -0.01 0.07 0.00 -1.94 -2.56 119.26 117.75 1nzk h ALA 129 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nzk h ALA 129 Cb 1.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1nzk h ALA 129 CO 0.07 0.06 -0.17 0.44 0.00 0.00 0.00 179.25 179.66 1nzk n ILE 130 N -3.97 0.00 -2.96 0.00 -5.35 -1.25 -1.85 119.36 103.97 1nzk n ILE 130 Ca -0.03 -0.13 -0.42 0.00 -0.27 0.00 0.00 62.75 61.91 1nzk n ILE 130 Cb 0.14 0.28 -0.05 0.00 -1.74 0.00 0.00 39.64 38.27 1nzk n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1nzk s LEU 131 N -2.39 4.08 0.25 7.28 1.43 -0.96 -4.46 118.68 123.90 1nzk s LEU 131 Ca 0.28 0.80 0.10 0.00 -1.03 0.00 0.00 54.13 54.28 1nzk s LEU 131 Cb 0.20 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.31 1nzk s LEU 131 CO 0.47 -0.52 -0.17 -0.36 0.23 0.00 0.00 176.35 176.00 1nzk s PHE 132 N 2.81 2.01 -0.14 0.29 0.40 -0.07 -3.84 117.98 119.44 1nzk s PHE 132 Ca 0.32 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1nzk s PHE 132 Cb -0.15 -0.90 0.02 0.00 0.51 0.00 0.00 43.02 42.49 1nzk s PHE 132 CO 0.10 0.54 -0.17 -0.51 0.70 0.00 0.00 175.22 175.88 1nzk s LEU 133 N -3.42 1.86 -0.23 -0.37 1.43 -0.54 0.25 118.68 117.66 1nzk s LEU 133 Ca 0.26 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.61 1nzk s LEU 133 Cb -0.03 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 1nzk s LEU 133 CO 0.11 0.01 0.75 -2.16 0.23 0.00 0.00 176.35 175.29 1nzk s PRO 134 N 1.15 4.18 -0.15 1.29 0.04 -1.26 -1.60 135.00 138.65 1nzk s PRO 134 Ca -0.01 0.81 -0.02 0.00 0.04 0.00 0.00 61.00 61.82 1nzk s PRO 134 Cb -0.14 -3.63 -0.02 0.00 0.04 0.00 0.00 34.50 30.75 1nzk s PRO 134 CO -0.06 -0.43 -0.08 -0.51 0.04 0.00 0.00 177.00 175.95 1nzk s LEU 135 N 2.55 2.96 0.19 -3.56 1.43 0.91 -4.90 118.68 118.28 1nzk s LEU 135 Ca 0.32 -0.24 -0.33 0.00 -1.03 0.00 0.00 54.13 52.85 1nzk s LEU 135 Cb -0.16 -1.70 -0.13 0.00 0.03 0.00 0.00 46.19 44.24 1nzk s LEU 135 CO 0.09 0.16 1.59 -0.81 0.23 0.00 0.00 176.35 177.60 1nzk n PRO 136 N 3.60 2.32 0.00 1.29 -0.04 -1.26 0.12 135.00 141.03 1nzk n PRO 136 Ca -0.18 0.83 0.07 0.00 -0.04 0.00 0.00 63.50 64.19 1nzk n PRO 136 Cb 0.52 -2.61 0.43 0.00 -0.04 0.00 0.00 33.50 31.81 1nzk n PRO 136 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74