#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 0.00 -2.37 -1.40 7.35 -1.26 -5.02 117.46 114.76 1nzk n PHE 1 Ca 0.00 -0.95 -0.43 0.00 -0.76 0.00 0.00 57.45 55.31 1nzk n PHE 1 Cb 0.00 -0.18 -0.02 0.00 0.35 0.00 0.00 39.48 39.63 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 -2.56 6.92 0.02 -2.13 0.01 -1.26 -5.00 114.94 110.93 1nzk s ASN 2 Ca 0.31 1.79 -0.00 0.00 -0.71 0.00 0.00 52.86 54.25 1nzk s ASN 2 Cb 0.31 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 1nzk s ASN 2 CO -0.07 -0.76 0.11 -0.76 -1.51 0.00 0.00 177.10 174.11 1nzk s LEU 3 N 3.39 4.01 0.41 0.60 1.43 -1.26 -1.71 118.68 125.54 1nzk s LEU 3 Ca 0.58 0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 53.76 1nzk s LEU 3 Cb -0.24 -2.44 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 1nzk s LEU 3 CO 0.18 0.24 0.74 -2.16 0.23 0.00 0.00 176.35 175.58 1nzk s PRO 4 N -1.98 3.68 0.79 1.29 0.04 -1.26 -4.67 135.00 132.89 1nzk s PRO 4 Ca 0.26 0.32 -0.11 0.00 0.04 0.00 0.00 61.00 61.51 1nzk s PRO 4 Cb -0.12 -2.42 0.06 0.00 0.04 0.00 0.00 34.50 32.06 1nzk s PRO 4 CO 0.18 -0.05 1.09 -1.25 0.04 0.00 0.00 177.00 177.01 1nzk s PRO 5 N -4.09 2.17 0.00 0.56 0.04 -1.26 -4.98 135.00 127.44 1nzk s PRO 5 Ca 0.49 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1nzk s PRO 5 Cb -0.10 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1nzk s PRO 5 CO 0.35 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 176.23 1nzk n GLY 6 N -2.05 2.91 3.66 0.56 0.00 -1.26 -5.10 105.19 103.91 1nzk n GLY 6 Ca 0.07 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 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 3.61 -0.05 1.61 2.20 -1.26 -5.07 114.94 115.98 1nzk s ASN 7 Ca 0.00 -1.64 0.13 0.00 -0.94 0.00 0.00 52.86 50.41 1nzk s ASN 7 Cb 0.00 0.46 0.41 0.00 -2.00 0.00 0.00 41.25 40.12 1nzk s ASN 7 CO 0.00 -0.85 1.34 -1.22 -2.94 0.00 0.00 177.10 173.43 1nzk n TYR 8 N -1.11 0.69 0.26 1.54 4.01 -1.26 -4.75 117.16 116.54 1nzk n TYR 8 Ca -0.13 -0.59 -0.17 0.00 -0.16 0.00 0.00 57.90 56.84 1nzk n TYR 8 Cb 0.66 -0.11 -0.09 0.00 -0.31 0.00 0.00 39.34 39.49 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 2.28 -0.89 -6.24 -0.72 6.56 -1.98 -3.42 116.57 112.17 1nzk h LYS 9 Ca 0.00 0.06 -0.55 0.00 -1.06 0.00 0.00 60.65 59.11 1nzk h LYS 9 Cb 0.97 0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 32.81 1nzk h LYS 9 CO 0.07 -0.59 -0.31 0.15 -2.06 0.00 0.00 179.45 176.71 1nzk s LYS 10 N -5.65 3.56 0.98 3.15 1.02 -1.26 -5.02 119.74 116.51 1nzk s LYS 10 Ca -0.17 -0.23 -0.12 0.00 0.02 0.00 0.00 55.97 55.47 1nzk s LYS 10 Cb 0.04 -2.82 0.18 0.00 -0.52 0.00 0.00 37.83 34.71 1nzk s LYS 10 CO 0.56 0.40 1.08 -1.25 -0.92 0.00 0.00 175.35 175.22 1nzk s PRO 11 N -3.17 0.55 0.27 -1.68 0.04 -1.26 -4.74 135.00 125.00 1nzk s PRO 11 Ca 0.40 0.87 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 1nzk s PRO 11 Cb -0.11 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.71 1nzk s PRO 11 CO 0.28 -2.74 0.62 -1.59 0.04 0.00 0.00 177.00 173.61 1nzk s LYS 12 N -4.79 1.70 0.06 4.56 -2.85 0.18 -2.50 119.74 116.10 1nzk s LYS 12 Ca 0.65 -1.12 0.00 0.00 -1.00 0.00 0.00 55.97 54.51 1nzk s LYS 12 Cb -0.20 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 1nzk s LYS 12 CO 0.59 -0.75 0.20 -0.51 0.10 0.00 0.00 175.35 174.98 1nzk s LEU 13 N -2.97 4.31 -0.48 2.77 1.43 0.17 -0.96 118.68 122.95 1nzk s LEU 13 Ca 0.16 0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1nzk s LEU 13 Cb -0.04 -2.90 0.13 0.00 0.03 0.00 0.00 46.19 43.41 1nzk s LEU 13 CO 0.08 0.17 0.28 -0.76 0.23 0.00 0.00 176.35 176.36 1nzk s LEU 14 N -2.48 5.23 -0.20 1.79 1.43 -1.26 -0.61 118.68 122.57 1nzk s LEU 14 Ca 0.34 -2.33 -0.20 0.00 -1.03 0.00 0.00 54.13 50.91 1nzk s LEU 14 Cb -0.13 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1nzk s LEU 14 CO 0.27 -0.48 0.62 -0.47 0.23 0.00 0.00 176.35 176.52 1nzk s TYR 15 N 0.71 3.37 -0.38 0.29 5.04 -0.54 -0.37 117.35 125.47 1nzk s TYR 15 Ca 0.11 0.90 -0.16 0.00 -2.44 0.00 0.00 57.07 55.48 1nzk s TYR 15 Cb -0.22 -2.79 0.01 0.00 0.35 0.00 0.00 41.96 39.31 1nzk s TYR 15 CO -0.04 -0.17 0.40 0.00 -1.34 0.00 0.00 175.55 174.40 1nzk h SER 17 N 8.60 0.00 0.29 0.00 4.64 -1.82 0.32 113.55 125.59 1nzk h SER 17 Ca -0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1nzk h SER 17 Cb 1.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 1nzk h SER 17 CO 0.75 0.05 -0.49 -1.13 -0.87 0.00 0.00 176.83 175.13 1nzk h ASN 18 N 0.00 -1.42 -0.01 4.97 -1.24 -1.81 -3.26 115.58 112.80 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 0.18 0.50 0.00 0.00 0.73 0.00 0.00 38.32 39.73 1nzk h ASN 18 CO 0.01 -0.58 -0.04 0.61 -1.29 0.00 0.00 177.43 176.13 1nzk n GLY 19 N -1.50 -0.51 1.86 1.57 0.00 -1.23 -4.78 105.19 100.61 1nzk n GLY 19 Ca -0.10 -0.24 -0.05 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 0.56 0.20 3.34 -0.02 0.00 0.11 -5.01 105.19 104.36 1nzk n GLY 20 Ca 0.05 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.12 2.10 -0.20 1.61 3.76 -0.69 -4.47 115.29 114.28 1nzk s HIS 21 Ca 0.04 -0.40 -0.17 0.00 -0.15 0.00 0.00 55.06 54.39 1nzk s HIS 21 Cb -0.01 -1.17 -0.04 0.00 1.11 0.00 0.00 32.58 32.48 1nzk s HIS 21 CO 0.24 0.24 0.43 -0.06 -0.85 0.00 0.00 174.74 174.74 1nzk s PHE 22 N -1.03 3.38 0.36 1.40 0.08 0.11 0.93 117.98 123.21 1nzk s PHE 22 Ca 0.11 0.66 -0.26 0.00 0.12 0.00 0.00 56.93 57.56 1nzk s PHE 22 Cb -0.10 -2.56 -0.12 0.00 -0.57 0.00 0.00 43.02 39.67 1nzk s PHE 22 CO 0.04 -0.02 1.06 -0.11 -0.10 0.00 0.00 175.22 176.09 1nzk n LEU 23 N 4.51 2.48 -3.78 -0.37 7.94 0.50 -1.23 117.00 127.05 1nzk n LEU 23 Ca -0.07 1.12 -0.13 0.00 -1.11 0.00 0.00 56.01 55.81 1nzk n LEU 23 Cb 0.51 -1.35 -0.14 0.00 0.53 0.00 0.00 43.42 42.96 1nzk n LEU 23 CO 0.40 -1.26 -0.24 -0.60 -1.11 0.00 0.00 177.39 174.58 1nzk s ARG 24 N -1.82 0.09 -0.28 1.96 3.52 0.18 -4.49 118.95 118.12 1nzk s ARG 24 Ca 0.60 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 56.48 1nzk s ARG 24 Cb -0.61 -0.10 0.05 0.00 -1.56 0.00 0.00 34.95 32.73 1nzk s ARG 24 CO 0.59 -0.12 -0.05 0.42 -0.81 0.00 0.00 175.30 175.33 1nzk s ILE 25 N 0.79 2.63 0.73 4.11 1.01 -1.15 -0.61 121.20 128.71 1nzk s ILE 25 Ca -0.06 -1.44 -0.12 0.00 0.00 0.00 0.00 60.65 59.03 1nzk s ILE 25 Cb -0.08 -2.50 0.03 0.00 0.01 0.00 0.00 42.46 39.92 1nzk s ILE 25 CO -0.04 -0.03 1.11 -0.76 0.00 0.00 0.00 174.94 175.22 1nzk s LEU 26 N 1.20 2.80 0.44 2.97 1.43 0.12 -4.84 118.68 122.79 1nzk s LEU 26 Ca -0.06 1.10 0.14 0.00 -1.03 0.00 0.00 54.13 54.28 1nzk s LEU 26 Cb -0.19 -3.83 1.04 0.00 0.03 0.00 0.00 46.19 43.24 1nzk s LEU 26 CO -0.03 -1.51 2.00 -0.65 0.23 0.00 0.00 176.35 176.39 1nzk h PRO 27 N -0.77 0.38 -0.00 1.29 0.11 -1.99 0.62 132.00 131.64 1nzk h PRO 27 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1nzk h PRO 27 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1nzk h PRO 27 CO 0.64 0.25 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.27 1nzk n ASP 28 N -4.47 0.04 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.69 1nzk n ASP 28 Ca 0.09 -0.54 0.00 0.00 -0.01 0.00 0.00 54.79 54.33 1nzk n ASP 28 Cb 0.34 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 1.17 0.39 3.76 6.12 0.00 0.21 -4.99 105.19 111.85 1nzk n GLY 29 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 2.81 -0.10 2.61 2.01 -1.25 -1.32 115.64 118.27 1nzk s THR 30 Ca 0.00 0.74 0.02 0.00 0.31 0.00 0.00 61.69 62.76 1nzk s THR 30 Cb 0.00 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 1nzk s THR 30 CO 0.00 0.15 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.22 1nzk s VAL 31 N -0.57 2.75 0.00 3.82 1.01 -1.26 0.12 120.40 126.27 1nzk s VAL 31 Ca 0.53 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1nzk s VAL 31 Cb -0.40 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1nzk s VAL 31 CO 0.47 0.55 0.00 -0.90 0.00 0.00 0.00 175.10 175.22 1nzk n ASP 32 N 3.25 0.00 -4.25 3.32 5.75 0.22 -4.25 116.55 120.59 1nzk n ASP 32 Ca -0.18 -0.36 -0.22 0.00 -0.01 0.00 0.00 54.79 54.03 1nzk n ASP 32 Cb 0.53 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.36 1.12 -0.03 6.12 0.00 0.98 0.52 107.32 115.68 1nzk s GLY 33 Ca 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.49 1nzk s GLY 33 CO 0.00 -1.21 0.10 -1.08 0.00 0.00 0.00 173.10 170.91 1nzk s THR 34 N -1.34 0.03 -0.65 0.90 -1.32 -0.36 -4.78 115.64 108.12 1nzk s THR 34 Ca 0.05 -0.25 0.24 0.00 -1.21 0.00 0.00 61.69 60.52 1nzk s THR 34 Cb -0.09 -0.23 0.09 0.00 -1.51 0.00 0.00 72.50 70.75 1nzk s THR 34 CO 0.04 -0.14 1.39 0.54 -2.21 0.00 0.00 174.62 174.24 1nzk n ARG 35 N 2.52 0.29 -2.03 7.08 1.74 -1.26 0.04 116.66 125.05 1nzk n ARG 35 Ca -0.16 0.11 -0.39 0.00 -0.77 0.00 0.00 57.85 56.64 1nzk n ARG 35 Cb 0.58 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 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 -4.30 5.40 0.55 0.55 -1.08 -1.26 -4.85 116.67 111.68 1nzk s ASP 36 Ca 0.07 0.58 0.32 0.00 -0.52 0.00 0.00 52.55 52.99 1nzk s ASP 36 Cb 0.13 -2.53 1.55 0.00 -1.46 0.00 0.00 42.92 40.62 1nzk s ASP 36 CO 0.70 -2.23 2.08 -0.09 0.52 0.00 0.00 175.17 176.15 1nzk h ARG 37 N 14.56 0.00 -0.00 4.34 9.65 -2.01 -2.57 114.38 138.35 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 1.17 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1nzk h ARG 37 CO 1.17 0.08 -0.03 -1.13 2.80 0.00 0.00 179.97 182.87 1nzk n SER 38 N -3.37 0.19 -4.70 -3.80 3.41 -1.26 -4.89 113.62 99.19 1nzk n SER 38 Ca -0.01 -0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 57.58 1nzk n SER 38 Cb 0.25 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.04 2.68 -0.46 4.04 -0.08 -0.97 -4.87 116.55 115.84 1nzk n ASP 39 Ca 0.18 1.18 0.12 0.00 -1.51 0.00 0.00 54.79 54.76 1nzk n ASP 39 Cb 0.21 -1.48 0.46 0.00 2.34 0.00 0.00 41.12 42.64 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 0.43 1.62 -0.39 -0.67 1.13 -1.26 -4.03 117.38 114.22 1nzk n GLN 40 Ca 0.05 -0.92 0.07 0.00 -1.94 0.00 0.00 57.00 54.26 1nzk n GLN 40 Cb 0.37 -1.42 0.18 0.00 0.11 0.00 0.00 30.24 29.48 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 0.13 0.02 -0.01 1.08 8.25 -1.26 -4.62 115.22 118.82 1nzk n HIS 41 Ca 0.17 -1.30 0.05 0.00 -0.26 0.00 0.00 57.72 56.39 1nzk n HIS 41 Cb 0.31 -0.21 0.11 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.24 0.74 -3.52 1.59 -5.35 -1.26 -2.93 119.36 107.39 1nzk n ILE 42 Ca 0.18 -0.87 -0.37 0.00 -0.27 0.00 0.00 62.75 61.42 1nzk n ILE 42 Cb 0.68 0.68 -0.08 0.00 -1.74 0.00 0.00 39.64 39.18 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 -0.95 4.16 0.05 6.28 1.11 -1.26 -4.38 119.66 124.66 1nzk s GLN 43 Ca 0.18 0.01 0.07 0.00 0.01 0.00 0.00 55.36 55.63 1nzk s GLN 43 Cb 0.10 -3.51 -0.02 0.00 -1.01 0.00 0.00 33.01 28.57 1nzk s GLN 43 CO 0.13 0.06 -0.19 -0.06 0.01 0.00 0.00 175.29 175.25 1nzk s PHE 44 N 1.02 1.68 -0.38 0.91 0.08 -0.14 -1.08 117.98 120.07 1nzk s PHE 44 Ca 0.14 -0.37 -0.10 0.00 0.12 0.00 0.00 56.93 56.72 1nzk s PHE 44 Cb -0.14 -0.99 0.04 0.00 -0.57 0.00 0.00 43.02 41.36 1nzk s PHE 44 CO 0.06 0.09 0.21 -1.14 -0.10 0.00 0.00 175.22 174.33 1nzk s GLN 45 N -1.21 2.76 0.24 0.44 2.00 0.82 0.49 119.66 125.21 1nzk s GLN 45 Ca 0.06 -1.16 -0.13 0.00 -2.00 0.00 0.00 55.36 52.13 1nzk s GLN 45 Cb -0.09 -3.71 -0.08 0.00 0.80 0.00 0.00 33.01 29.93 1nzk s GLN 45 CO 0.02 -0.74 0.61 -0.51 -0.50 0.00 0.00 175.29 174.17 1nzk s LEU 46 N 1.51 4.18 -0.05 3.68 1.02 -1.26 -1.71 118.68 126.06 1nzk s LEU 46 Ca 0.02 1.08 -0.12 0.00 0.02 0.00 0.00 54.13 55.12 1nzk s LEU 46 Cb -0.20 -3.72 0.02 0.00 0.02 0.00 0.00 46.19 42.32 1nzk s LEU 46 CO 0.05 -0.07 0.29 -0.94 0.02 0.00 0.00 176.35 175.70 1nzk s SER 47 N -2.18 -0.21 0.02 2.29 1.04 -0.84 -4.79 113.70 109.03 1nzk s SER 47 Ca 0.47 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 57.02 1nzk s SER 47 Cb -0.12 0.41 -0.06 0.00 0.10 0.00 0.00 66.02 66.35 1nzk s SER 47 CO 0.20 -0.32 0.38 0.00 0.98 0.00 0.00 173.24 174.48 1nzk s ALA 48 N -0.81 3.73 0.00 5.32 0.00 -1.26 -0.30 121.76 128.45 1nzk s ALA 48 Ca -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1nzk s ALA 48 Cb -0.04 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.78 1nzk s ALA 48 CO 0.03 0.53 0.00 -1.91 0.00 0.00 0.00 175.76 174.41 1nzk n GLU 49 N 1.44 0.00 -2.83 0.00 4.07 -0.65 -4.94 120.64 117.72 1nzk n GLU 49 Ca -0.12 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.78 1nzk n GLU 49 Cb 0.53 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 5.03 0.04 4.31 0.01 -1.26 -4.92 113.70 115.91 1nzk s SER 50 Ca 0.00 -0.47 -0.33 0.00 1.31 0.00 0.00 55.95 56.46 1nzk s SER 50 Cb 0.00 -0.20 -0.12 0.00 0.21 0.00 0.00 66.02 65.91 1nzk s SER 50 CO 0.00 -1.34 1.78 0.52 0.41 0.00 0.00 173.24 174.61 1nzk n VAL 51 N -2.35 0.36 -0.50 3.43 0.31 -1.26 -0.92 118.33 117.39 1nzk n VAL 51 Ca 0.13 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1nzk n VAL 51 Cb 0.60 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 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 4.05 1.09 3.54 2.92 0.00 -1.26 -5.03 105.19 110.51 1nzk n GLY 52 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.34 2.84 0.08 1.61 2.02 -0.10 -0.94 118.70 123.87 1nzk s GLU 53 Ca 0.00 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.42 1nzk s GLU 53 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 1nzk s GLU 53 CO 0.00 0.58 -0.05 0.14 0.02 0.00 0.00 175.26 175.95 1nzk s VAL 54 N -0.60 0.51 -0.04 2.63 -7.23 0.18 -1.64 120.40 114.21 1nzk s VAL 54 Ca 0.09 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 58.39 1nzk s VAL 54 Cb -0.12 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 1nzk s VAL 54 CO 0.02 -0.91 -0.10 -0.31 -0.31 0.00 0.00 175.10 173.49 1nzk s TYR 55 N -3.74 2.84 -0.30 2.82 2.02 0.60 -1.25 117.35 120.34 1nzk s TYR 55 Ca 0.10 -0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.78 1nzk s TYR 55 Cb 0.06 -1.66 0.08 0.00 -0.40 0.00 0.00 41.96 40.05 1nzk s TYR 55 CO -0.06 0.29 -0.03 0.42 -1.57 0.00 0.00 175.55 174.60 1nzk s ILE 56 N -0.82 2.13 -0.14 2.71 1.01 -1.26 -1.99 121.20 122.83 1nzk s ILE 56 Ca 0.13 -1.91 -0.02 0.00 0.00 0.00 0.00 60.65 58.84 1nzk s ILE 56 Cb -0.11 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 1nzk s ILE 56 CO 0.02 -0.31 -0.07 -0.75 0.00 0.00 0.00 174.94 173.83 1nzk s LYS 57 N 1.05 3.52 -0.02 2.79 2.20 -0.69 -0.57 119.74 128.01 1nzk s LYS 57 Ca 0.01 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 54.74 1nzk s LYS 57 Cb -0.19 -2.79 -0.07 0.00 -1.51 0.00 0.00 37.83 33.27 1nzk s LYS 57 CO -0.07 0.26 1.78 0.45 -0.36 0.00 0.00 175.35 177.41 1nzk s SER 58 N 0.29 6.57 0.50 1.43 0.15 0.12 -0.12 113.70 122.64 1nzk s SER 58 Ca -0.06 2.40 0.28 0.00 0.70 0.00 0.00 55.95 59.28 1nzk s SER 58 Cb -0.15 -2.53 1.17 0.00 -1.71 0.00 0.00 66.02 62.80 1nzk s SER 58 CO 0.04 -0.99 1.92 0.71 1.20 0.00 0.00 173.24 176.13 1nzk h THR 59 N 5.61 0.34 0.12 6.45 1.35 -1.43 0.15 112.91 125.50 1nzk h THR 59 Ca -0.43 -0.81 -0.33 0.00 -0.55 0.00 0.00 66.41 64.28 1nzk h THR 59 Cb 1.20 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 1nzk h THR 59 CO 0.95 0.12 -1.77 -0.08 -0.25 0.00 0.00 175.52 174.50 1nzk h GLU 60 N 0.00 0.25 0.00 4.72 4.57 -1.82 -3.41 114.58 118.90 1nzk h GLU 60 Ca -0.00 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1nzk h GLU 60 Cb 0.60 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1nzk h GLU 60 CO 0.02 1.11 -1.22 0.25 -1.18 0.00 0.00 179.01 177.98 1nzk n THR 61 N -3.44 0.00 -0.74 0.32 -2.24 -1.21 -5.00 114.28 101.97 1nzk n THR 61 Ca -0.24 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1nzk n THR 61 Cb 1.05 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 1.73 1.12 3.83 3.38 0.00 0.51 -5.02 105.19 110.75 1nzk n GLY 62 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.16 3.78 -0.05 1.61 -0.21 -1.26 -4.69 119.66 118.68 1nzk s GLN 63 Ca 0.00 1.07 -0.02 0.00 0.02 0.00 0.00 55.36 56.44 1nzk s GLN 63 Cb 0.00 -2.11 -0.04 0.00 1.00 0.00 0.00 33.01 31.87 1nzk s GLN 63 CO 0.00 -0.42 0.05 0.71 -2.12 0.00 0.00 175.29 173.51 1nzk s TYR 64 N -2.49 3.26 0.17 0.91 1.51 0.72 0.16 117.35 121.59 1nzk s TYR 64 Ca 0.61 0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 56.60 1nzk s TYR 64 Cb -0.12 -1.78 -0.08 0.00 -0.11 0.00 0.00 41.96 39.87 1nzk s TYR 64 CO 0.30 0.54 1.30 -1.17 -1.11 0.00 0.00 175.55 175.41 1nzk s LEU 65 N -1.30 4.41 0.10 -1.29 2.96 0.26 0.11 118.68 123.93 1nzk s LEU 65 Ca 0.18 2.33 -0.09 0.00 -0.22 0.00 0.00 54.13 56.33 1nzk s LEU 65 Cb -0.12 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 1nzk s LEU 65 CO 0.08 -0.52 0.21 0.00 -1.32 0.00 0.00 176.35 174.79 1nzk s ALA 66 N 0.37 -0.20 -0.06 5.97 0.00 0.41 -4.28 121.76 123.97 1nzk s ALA 66 Ca 0.58 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1nzk s ALA 66 Cb -0.35 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.35 1nzk s ALA 66 CO 0.36 -0.54 -0.03 1.41 0.00 0.00 0.00 175.76 176.96 1nzk s MET 67 N -3.88 0.77 0.87 0.00 1.75 -0.81 -0.33 119.30 117.68 1nzk s MET 67 Ca 0.07 -0.03 -0.11 0.00 -1.25 0.00 0.00 55.69 54.37 1nzk s MET 67 Cb 0.05 -0.92 0.16 0.00 2.84 0.00 0.00 34.83 36.95 1nzk s MET 67 CO -0.09 -0.18 1.21 0.16 -0.65 0.00 0.00 175.02 175.47 1nzk s ASP 68 N 1.37 3.65 0.43 1.11 1.47 0.28 -4.81 116.67 120.18 1nzk s ASP 68 Ca -0.04 0.19 0.29 0.00 1.18 0.00 0.00 52.55 54.17 1nzk s ASP 68 Cb -0.13 -0.40 1.55 0.00 -0.34 0.00 0.00 42.92 43.60 1nzk s ASP 68 CO -0.03 -2.37 1.88 0.71 0.68 0.00 0.00 175.17 176.04 1nzk h THR 69 N -1.26 0.00 -0.01 2.11 1.35 -2.01 0.38 112.91 113.47 1nzk h THR 69 Ca -0.43 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1nzk h THR 69 Cb 1.26 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1nzk h THR 69 CO 0.43 0.00 -0.49 0.47 -0.25 0.00 0.00 175.52 175.68 1nzk n ASP 70 N -2.51 1.82 0.00 5.36 8.00 -1.26 -4.97 116.55 122.99 1nzk n ASP 70 Ca -0.02 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.09 1nzk n ASP 70 Cb 0.05 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 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 1.42 0.81 3.83 0.44 0.00 0.13 -4.70 105.19 107.12 1nzk n GLY 71 Ca 0.09 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 4.41 0.03 0.99 1.02 -1.25 -0.11 118.68 123.77 1nzk s LEU 72 Ca 0.00 0.73 -0.20 0.00 0.02 0.00 0.00 54.13 54.68 1nzk s LEU 72 Cb 0.00 -2.39 -0.06 0.00 0.02 0.00 0.00 46.19 43.76 1nzk s LEU 72 CO 0.00 0.31 0.57 -0.69 0.02 0.00 0.00 176.35 176.56 1nzk s VAL 73 N -0.77 4.83 0.24 -1.59 1.01 -1.26 -0.55 120.40 122.32 1nzk s VAL 73 Ca 0.20 1.21 -0.16 0.00 0.00 0.00 0.00 61.98 63.23 1nzk s VAL 73 Cb -0.15 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.34 1nzk s VAL 73 CO 0.09 0.49 0.55 -0.72 0.00 0.00 0.00 175.10 175.51 1nzk s TYR 74 N -0.66 0.12 -0.25 5.22 1.13 0.55 -4.53 117.35 118.93 1nzk s TYR 74 Ca 0.30 -0.50 -0.17 0.00 -1.41 0.00 0.00 57.07 55.29 1nzk s TYR 74 Cb -0.19 0.37 -0.03 0.00 -1.10 0.00 0.00 41.96 41.01 1nzk s TYR 74 CO 0.18 -1.04 0.46 0.20 -2.51 0.00 0.00 175.55 172.83 1nzk s GLY 75 N -2.96 1.89 0.01 5.49 0.00 -0.44 -0.44 107.32 110.87 1nzk s GLY 75 Ca 0.17 -0.66 -0.12 0.00 0.00 0.00 0.00 44.72 44.11 1nzk s GLY 75 CO 0.06 1.10 0.37 -0.45 0.00 0.00 0.00 173.10 174.18 1nzk s SER 76 N 1.50 6.70 0.45 1.64 0.15 0.12 -4.80 113.70 119.46 1nzk s SER 76 Ca 0.19 0.84 0.25 0.00 0.70 0.00 0.00 55.95 57.93 1nzk s SER 76 Cb -0.16 -2.20 0.91 0.00 -1.71 0.00 0.00 66.02 62.86 1nzk s SER 76 CO 0.09 0.28 1.82 1.56 1.20 0.00 0.00 173.24 178.19 1nzk h GLN 77 N 4.40 0.00 -5.34 5.44 1.08 -1.91 0.21 115.11 118.98 1nzk h GLN 77 Ca -0.51 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.29 1nzk h GLN 77 Cb 1.21 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.47 1nzk h GLN 77 CO 0.63 0.20 -0.75 0.95 -0.95 0.00 0.00 178.83 178.91 1nzk s THR 78 N -3.59 1.32 -0.59 -0.54 -4.23 -1.26 -4.79 115.64 101.96 1nzk s THR 78 Ca 0.01 -1.82 -0.24 0.00 -1.18 0.00 0.00 61.69 58.45 1nzk s THR 78 Cb 0.10 -1.63 0.04 0.00 1.34 0.00 0.00 72.50 72.35 1nzk s THR 78 CO 0.63 -0.50 0.99 -2.16 -0.54 0.00 0.00 174.62 173.04 1nzk s PRO 79 N -2.97 3.30 0.02 3.99 0.04 -1.26 -4.75 135.00 133.36 1nzk s PRO 79 Ca 0.11 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.83 1nzk s PRO 79 Cb -0.03 -4.09 -0.00 0.00 0.04 0.00 0.00 34.50 30.42 1nzk s PRO 79 CO 0.03 -1.61 0.01 0.27 0.04 0.00 0.00 177.00 175.73 1nzk n ASN 80 N 7.74 0.49 0.17 6.66 0.23 -1.26 -5.00 115.26 124.29 1nzk n ASN 80 Ca 0.01 -1.10 0.19 0.00 -0.53 0.00 0.00 54.58 53.15 1nzk n ASN 80 Cb 0.47 0.06 0.79 0.00 -2.08 0.00 0.00 39.78 39.03 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 -1.98 0.19 114.58 113.07 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 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1nzk h GLU 81 CO 0.02 0.00 -0.01 0.39 0.07 0.00 0.00 179.01 179.48 1nzk n GLU 82 N -3.62 0.17 0.00 1.06 1.02 -1.26 -3.63 120.64 114.39 1nzk n GLU 82 Ca 0.04 0.14 0.11 0.00 -0.02 0.00 0.00 57.16 57.43 1nzk n GLU 82 Cb 0.48 -1.70 0.02 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.31 4.39 0.05 0.00 1.43 -1.22 -4.42 118.68 116.60 1nzk s LEU 84 Ca 0.21 1.41 0.06 0.00 -1.03 0.00 0.00 54.13 54.78 1nzk s LEU 84 Cb 0.18 -3.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 1nzk s LEU 84 CO 0.49 -0.08 -0.17 -0.36 0.23 0.00 0.00 176.35 176.45 1nzk s PHE 85 N 0.44 1.50 -0.38 0.29 0.40 -0.38 -1.41 117.98 118.43 1nzk s PHE 85 Ca 0.41 -0.37 -0.21 0.00 -0.60 0.00 0.00 56.93 56.15 1nzk s PHE 85 Cb -0.20 -0.88 0.01 0.00 0.51 0.00 0.00 43.02 42.47 1nzk s PHE 85 CO 0.22 0.08 0.69 -0.51 0.70 0.00 0.00 175.22 176.40 1nzk s LEU 86 N -1.28 4.27 -0.29 -0.37 1.43 0.13 -0.64 118.68 121.93 1nzk s LEU 86 Ca 0.04 0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 53.00 1nzk s LEU 86 Cb -0.09 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 1nzk s LEU 86 CO 0.02 -0.70 0.66 -0.70 0.23 0.00 0.00 176.35 175.86 1nzk s GLU 87 N 2.89 3.97 0.14 1.70 2.12 -0.12 -1.91 118.70 127.49 1nzk s GLU 87 Ca 0.26 0.43 0.03 0.00 0.36 0.00 0.00 54.97 56.05 1nzk s GLU 87 Cb -0.14 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1nzk s GLU 87 CO 0.17 -0.55 -0.07 1.03 -0.54 0.00 0.00 175.26 175.30 1nzk s ARG 88 N 2.65 1.00 0.35 4.30 1.81 -0.49 -4.71 118.95 123.86 1nzk s ARG 88 Ca 0.27 -1.43 -0.22 0.00 -1.72 0.00 0.00 55.73 52.63 1nzk s ARG 88 Cb -0.15 -0.41 -0.10 0.00 -0.45 0.00 0.00 34.95 33.84 1nzk s ARG 88 CO 0.11 0.00 0.89 -1.17 -0.68 0.00 0.00 175.30 174.45 1nzk s LEU 89 N -3.13 4.15 -0.01 2.53 2.96 -0.70 -0.73 118.68 123.76 1nzk s LEU 89 Ca 0.16 1.65 0.00 0.00 -0.22 0.00 0.00 54.13 55.73 1nzk s LEU 89 Cb 0.04 -4.17 0.01 0.00 0.50 0.00 0.00 46.19 42.58 1nzk s LEU 89 CO -0.01 -0.18 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.14 1nzk s GLU 90 N -2.60 0.10 -1.43 1.98 2.56 0.61 -4.81 118.70 115.12 1nzk s GLU 90 Ca 0.54 0.03 -0.07 0.00 0.00 0.00 0.00 54.97 55.47 1nzk s GLU 90 Cb -0.14 -0.18 0.04 0.00 2.00 0.00 0.00 34.13 35.85 1nzk s GLU 90 CO 0.18 -0.04 0.58 0.39 -0.56 0.00 0.00 175.26 175.82 1nzk n GLU 91 N 3.46 -4.34 -1.74 4.30 1.02 -1.26 -0.97 120.64 121.11 1nzk n GLU 91 Ca -0.18 0.70 -0.17 0.00 -0.02 0.00 0.00 57.16 57.49 1nzk n GLU 91 Cb 0.56 -5.50 -0.06 0.00 -0.02 0.00 0.00 31.44 26.42 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 -2.44 -4.68 0.00 1.62 4.13 -1.26 -4.59 115.26 108.03 1nzk n ASN 92 Ca -0.06 0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.53 1nzk n ASN 92 Cb 0.58 -4.14 0.00 0.00 -1.54 0.00 0.00 39.78 34.68 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 -2.57 -1.57 -2.04 3.10 -0.00 -0.14 -5.15 115.22 106.85 1nzk n HIS 93 Ca -0.18 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.26 1nzk n HIS 93 Cb 0.59 0.48 0.07 0.00 -0.00 0.00 0.00 29.99 31.13 1nzk n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1nzk s TYR 94 N -1.96 2.99 -0.11 1.57 2.02 -0.39 -4.79 117.35 116.69 1nzk s TYR 94 Ca 0.00 0.65 -0.03 0.00 -0.37 0.00 0.00 57.07 57.32 1nzk s TYR 94 Cb 0.00 -3.30 -0.03 0.00 -0.40 0.00 0.00 41.96 38.23 1nzk s TYR 94 CO 0.00 -1.52 0.01 -0.80 -1.57 0.00 0.00 175.55 171.66 1nzk s ASN 95 N -4.52 5.25 0.06 2.29 -0.87 0.76 -0.28 114.94 117.63 1nzk s ASN 95 Ca 0.60 0.11 0.05 0.00 -1.57 0.00 0.00 52.86 52.06 1nzk s ASN 95 Cb -0.11 -1.58 -0.03 0.00 -0.02 0.00 0.00 41.25 39.52 1nzk s ASN 95 CO 0.47 0.33 -0.15 0.42 -2.57 0.00 0.00 177.10 175.61 1nzk s THR 96 N -0.60 1.18 -0.23 1.60 -4.23 0.09 -0.43 115.64 113.03 1nzk s THR 96 Ca 0.10 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 1nzk s THR 96 Cb -0.12 -1.09 0.05 0.00 1.34 0.00 0.00 72.50 72.68 1nzk s THR 96 CO 0.02 -0.09 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.62 1nzk s TYR 97 N -1.04 2.62 -0.17 3.99 1.51 -1.26 -1.39 117.35 121.61 1nzk s TYR 97 Ca 0.01 -1.83 -0.08 0.00 -1.01 0.00 0.00 57.07 54.16 1nzk s TYR 97 Cb -0.09 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 1nzk s TYR 97 CO 0.02 -0.79 0.08 0.42 -1.11 0.00 0.00 175.55 174.17 1nzk s ILE 98 N 1.32 4.98 0.00 2.71 1.01 -0.80 -0.53 121.20 129.90 1nzk s ILE 98 Ca -0.05 0.03 -0.32 0.00 0.00 0.00 0.00 60.65 60.31 1nzk s ILE 98 Cb -0.18 -3.23 -0.11 0.00 0.01 0.00 0.00 42.46 38.95 1nzk s ILE 98 CO -0.07 0.49 1.91 -0.24 0.00 0.00 0.00 174.94 177.03 1nzk n SER 99 N 3.23 3.83 0.06 3.58 2.88 -0.28 0.22 113.62 127.14 1nzk n SER 99 Ca -0.17 0.95 -0.13 0.00 -1.33 0.00 0.00 58.87 58.19 1nzk n SER 99 Cb 0.53 -1.46 -0.08 0.00 -0.75 0.00 0.00 64.21 62.45 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 9.61 -0.08 -0.54 -1.46 3.64 -1.56 0.72 116.57 126.91 1nzk h LYS 100 Ca -0.49 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 58.98 1nzk h LYS 100 Cb 1.25 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 1nzk h LYS 100 CO 0.94 0.04 0.36 -0.22 -2.27 0.00 0.00 179.45 178.31 1nzk h LYS 101 N -0.17 0.41 -0.28 1.90 3.64 -1.77 -2.20 116.57 118.09 1nzk h LYS 101 Ca -0.01 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1nzk h LYS 101 Cb 0.15 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 1nzk h LYS 101 CO 0.01 0.27 -0.06 0.72 -2.27 0.00 0.00 179.45 178.12 1nzk n HIS 102 N -4.47 0.89 -0.34 1.91 8.25 -1.12 -4.78 115.22 115.55 1nzk n HIS 102 Ca 0.08 -1.32 0.17 0.00 -0.26 0.00 0.00 57.72 56.40 1nzk n HIS 102 Cb 0.31 -0.40 0.39 0.00 1.12 0.00 0.00 29.99 31.41 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 1.15 1.81 0.00 -1.41 0.00 -0.19 0.26 119.26 120.89 1nzk h ALA 103 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1nzk h ALA 103 Cb 1.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1nzk h ALA 103 CO 0.29 -0.26 0.00 1.05 0.00 0.00 0.00 179.25 180.32 1nzk h GLU 104 N 0.60 0.00 -0.01 0.00 9.09 -1.86 -1.77 114.58 120.64 1nzk h GLU 104 Ca 0.63 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.04 1nzk h GLU 104 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1nzk h GLU 104 CO -0.44 0.00 -0.43 1.63 0.05 0.00 0.00 179.01 179.82 1nzk n LYS 105 N -2.96 0.55 -3.35 1.06 5.02 0.91 -4.97 118.16 114.43 1nzk n LYS 105 Ca -0.01 -0.36 -0.17 0.00 -2.02 0.00 0.00 58.31 55.76 1nzk n LYS 105 Cb 0.20 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.80 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 -0.91 -2.78 -4.61 4.39 5.03 -0.66 -4.97 115.26 110.75 1nzk n ASN 106 Ca 0.09 -0.56 -0.39 0.00 0.87 0.00 0.00 54.58 54.59 1nzk n ASN 106 Cb 0.36 -4.74 -0.09 0.00 -1.02 0.00 0.00 39.78 34.29 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 -3.32 3.26 0.31 3.10 0.51 -1.25 -4.47 118.94 117.08 1nzk s TRP 107 Ca 0.10 0.44 0.09 0.00 -2.12 0.00 0.00 56.10 54.61 1nzk s TRP 107 Cb -0.04 -2.57 -0.05 0.00 -0.81 0.00 0.00 33.47 30.00 1nzk s TRP 107 CO 0.67 -0.20 0.03 -0.06 -0.51 0.00 0.00 176.95 176.88 1nzk s PHE 108 N 1.98 2.63 0.01 -1.98 0.40 -1.26 -1.12 117.98 118.63 1nzk s PHE 108 Ca 0.15 -0.35 -0.26 0.00 -0.60 0.00 0.00 56.93 55.87 1nzk s PHE 108 Cb -0.16 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1nzk s PHE 108 CO 0.10 0.50 0.82 -1.17 0.70 0.00 0.00 175.22 176.17 1nzk s LEU 109 N -3.73 4.40 0.06 -0.37 2.96 0.31 -4.57 118.68 117.75 1nzk s LEU 109 Ca 0.34 1.48 -0.26 0.00 -0.22 0.00 0.00 54.13 55.47 1nzk s LEU 109 Cb -0.03 -3.32 0.07 0.00 0.50 0.00 0.00 46.19 43.41 1nzk s LEU 109 CO 0.20 -0.09 0.62 -0.83 -1.32 0.00 0.00 176.35 174.93 1nzk s GLY 110 N 0.42 -0.58 -0.08 7.98 0.00 -1.26 -4.45 107.32 109.35 1nzk s GLY 110 Ca 0.42 0.85 0.02 0.00 0.00 0.00 0.00 44.72 46.01 1nzk s GLY 110 CO 0.24 0.51 -0.13 -0.42 0.00 0.00 0.00 173.10 173.29 1nzk s ILE 111 N -2.53 1.25 0.79 0.90 1.01 -0.83 0.23 121.20 122.03 1nzk s ILE 111 Ca -0.05 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 1nzk s ILE 111 Cb -0.01 -1.14 0.07 0.00 0.01 0.00 0.00 42.46 41.39 1nzk s ILE 111 CO -0.02 0.38 1.09 -0.54 0.00 0.00 0.00 174.94 175.85 1nzk s LYS 112 N 0.74 2.14 0.61 2.79 1.02 -0.57 -4.57 119.74 121.90 1nzk s LYS 112 Ca -0.13 0.90 0.31 0.00 0.02 0.00 0.00 55.97 57.07 1nzk s LYS 112 Cb -0.16 -1.90 1.75 0.00 -0.52 0.00 0.00 37.83 37.00 1nzk s LYS 112 CO 0.03 -1.65 2.10 0.87 -0.92 0.00 0.00 175.35 175.78 1nzk h LYS 113 N -1.12 0.00 -0.07 1.68 1.57 -1.89 0.50 116.57 117.23 1nzk h LYS 113 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1nzk h LYS 113 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 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 -3.54 1.00 0.00 0.86 0.23 -1.26 -4.66 115.26 107.89 1nzk n ASN 114 Ca 0.01 -1.51 0.00 0.00 -0.53 0.00 0.00 54.58 52.54 1nzk n ASN 114 Cb 0.32 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 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 1.03 0.77 3.86 4.83 0.00 0.17 -5.01 105.19 110.84 1nzk n GLY 115 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.58 6.40 0.52 1.61 1.04 -1.26 -0.01 113.70 119.41 1nzk s SER 116 Ca 0.00 0.48 -0.22 0.00 0.48 0.00 0.00 55.95 56.70 1nzk s SER 116 Cb 0.00 -2.08 -0.06 0.00 0.10 0.00 0.00 66.02 63.98 1nzk s SER 116 CO 0.00 0.38 1.26 -0.69 0.98 0.00 0.00 173.24 175.17 1nzk s VAL 117 N -0.90 2.58 0.52 5.02 1.01 -1.26 -1.51 120.40 125.85 1nzk s VAL 117 Ca 0.15 0.42 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 1nzk s VAL 117 Cb -0.12 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1nzk s VAL 117 CO 0.04 -0.02 0.83 -0.54 0.00 0.00 0.00 175.10 175.41 1nzk s LYS 118 N -2.90 3.39 -0.04 2.72 1.02 0.14 -4.83 119.74 119.24 1nzk s LYS 118 Ca 0.69 0.19 -0.10 0.00 0.02 0.00 0.00 55.97 56.77 1nzk s LYS 118 Cb -0.34 -2.33 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1nzk s LYS 118 CO 0.40 -0.36 0.29 -0.98 -0.92 0.00 0.00 175.35 173.78 1nzk s ARG 119 N -4.84 3.67 0.13 1.68 1.04 -1.26 -4.61 118.95 114.77 1nzk s ARG 119 Ca 0.50 0.11 -0.24 0.00 -1.04 0.00 0.00 55.73 55.06 1nzk s ARG 119 Cb -0.10 -3.17 -0.06 0.00 -2.04 0.00 0.00 34.95 29.58 1nzk s ARG 119 CO 0.46 0.71 1.27 0.41 -0.04 0.00 0.00 175.30 178.11 1nzk n GLY 120 N 1.70 -2.23 0.34 3.88 0.00 0.85 -0.69 105.19 109.02 1nzk n GLY 120 Ca -0.15 0.97 0.20 0.00 0.00 0.00 0.00 46.02 47.04 1nzk n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nzk h PRO 121 N 0.00 0.00 -0.35 1.61 0.11 -1.85 -0.78 132.00 130.74 1nzk h PRO 121 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1nzk h PRO 121 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1nzk h PRO 121 CO -0.74 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.59 1nzk n ARG 122 N -3.13 2.15 -4.20 1.05 5.12 0.13 -4.90 116.66 112.87 1nzk n ARG 122 Ca -0.02 -1.75 -0.23 0.00 -1.93 0.00 0.00 57.85 53.92 1nzk n ARG 122 Cb 0.16 -1.44 -0.06 0.00 -1.16 0.00 0.00 32.46 29.96 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 -1.54 3.74 -0.14 0.55 -4.23 -0.30 -4.92 115.64 108.79 1nzk s THR 123 Ca 0.35 -1.71 -0.34 0.00 -1.18 0.00 0.00 61.69 58.82 1nzk s THR 123 Cb 0.19 -3.05 0.13 0.00 1.34 0.00 0.00 72.50 71.11 1nzk s THR 123 CO 0.27 -0.34 1.13 -1.38 -0.54 0.00 0.00 174.62 173.76 1nzk s HIS 124 N -2.27 -0.18 0.38 3.99 -3.43 -1.26 -4.82 115.29 107.69 1nzk s HIS 124 Ca 0.33 0.11 -0.27 0.00 -0.80 0.00 0.00 55.06 54.44 1nzk s HIS 124 Cb -0.06 0.52 -0.11 0.00 -1.43 0.00 0.00 32.58 31.49 1nzk s HIS 124 CO 0.22 -0.29 1.22 0.66 -2.00 0.00 0.00 174.74 174.56 1nzk n TYR 125 N -0.12 2.00 0.00 0.38 4.01 -1.26 -2.43 117.16 119.73 1nzk n TYR 125 Ca -0.02 0.55 0.00 0.00 -0.16 0.00 0.00 57.90 58.27 1nzk n TYR 125 Cb 0.59 -2.36 0.00 0.00 -0.31 0.00 0.00 39.34 37.26 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 0.88 2.66 3.83 2.72 0.00 -1.26 -5.07 105.19 108.95 1nzk n GLY 126 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.89 3.67 0.20 1.61 -0.21 -1.02 -4.96 119.66 118.06 1nzk s GLN 127 Ca 0.00 1.03 0.19 0.00 0.02 0.00 0.00 55.36 56.60 1nzk s GLN 127 Cb 0.00 -2.09 0.01 0.00 1.00 0.00 0.00 33.01 31.93 1nzk s GLN 127 CO 0.00 -0.51 1.13 1.57 -2.12 0.00 0.00 175.29 175.36 1nzk h LYS 128 N 0.61 0.00 0.00 2.91 5.09 -1.98 -3.31 116.57 119.89 1nzk h LYS 128 Ca -0.47 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.26 1nzk h LYS 128 Cb 1.20 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.53 1nzk h LYS 128 CO 0.60 0.23 -0.05 0.00 -2.09 0.00 0.00 179.45 178.13 1nzk h ALA 129 N 1.67 1.25 -0.01 0.07 0.00 -1.93 -2.74 119.26 117.57 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 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1nzk h ALA 129 CO 0.03 0.07 -0.12 0.44 0.00 0.00 0.00 179.25 179.67 1nzk n ILE 130 N -3.52 0.00 -3.07 0.00 -5.35 -1.25 -1.96 119.36 104.21 1nzk n ILE 130 Ca -0.02 -0.18 -0.41 0.00 -0.27 0.00 0.00 62.75 61.87 1nzk n ILE 130 Cb 0.17 0.38 -0.06 0.00 -1.74 0.00 0.00 39.64 38.39 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 -2.25 4.16 0.25 7.28 1.43 -1.03 -4.45 118.68 124.07 1nzk s LEU 131 Ca 0.32 0.40 0.12 0.00 -1.03 0.00 0.00 54.13 53.93 1nzk s LEU 131 Cb 0.20 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 1nzk s LEU 131 CO 0.42 -0.54 -0.20 -0.36 0.23 0.00 0.00 176.35 175.90 1nzk s PHE 132 N 2.72 2.33 -0.14 0.29 0.40 0.43 -2.97 117.98 121.04 1nzk s PHE 132 Ca 0.27 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.29 1nzk s PHE 132 Cb -0.15 -1.06 0.01 0.00 0.51 0.00 0.00 43.02 42.34 1nzk s PHE 132 CO 0.13 0.64 -0.21 -0.51 0.70 0.00 0.00 175.22 175.97 1nzk s LEU 133 N -3.25 2.07 -0.28 -0.37 1.43 0.01 -0.17 118.68 118.12 1nzk s LEU 133 Ca 0.27 -0.59 -0.23 0.00 -1.03 0.00 0.00 54.13 52.55 1nzk s LEU 133 Cb -0.06 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 1nzk s LEU 133 CO 0.14 0.06 0.75 -2.16 0.23 0.00 0.00 176.35 175.37 1nzk s PRO 134 N 0.91 4.05 -0.16 1.29 0.04 -1.26 -1.47 135.00 138.41 1nzk s PRO 134 Ca -0.05 0.65 -0.04 0.00 0.04 0.00 0.00 61.00 61.60 1nzk s PRO 134 Cb -0.15 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.67 1nzk s PRO 134 CO -0.04 -0.57 -0.03 -0.51 0.04 0.00 0.00 177.00 175.89 1nzk s LEU 135 N 2.79 3.25 0.53 -3.56 1.43 0.21 -4.91 118.68 118.43 1nzk s LEU 135 Ca 0.31 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.08 1nzk s LEU 135 Cb -0.15 -1.79 -0.08 0.00 0.03 0.00 0.00 46.19 44.20 1nzk s LEU 135 CO 0.10 0.16 0.78 -0.81 0.23 0.00 0.00 176.35 176.81 1nzk n PRO 136 N 3.59 0.83 0.00 1.29 -0.04 -1.26 0.46 135.00 139.87 1nzk n PRO 136 Ca -0.17 0.31 0.14 0.00 -0.04 0.00 0.00 63.50 63.74 1nzk n PRO 136 Cb 0.52 -1.91 0.51 0.00 -0.04 0.00 0.00 33.50 32.59 1nzk n PRO 136 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74