#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nzc n PHE 5 N 0.00 -0.53 -2.91 1.20 7.35 -1.26 -5.02 117.46 116.29 1nzc n PHE 5 Ca 0.00 0.09 -0.35 0.00 -0.76 0.00 0.00 57.45 56.43 1nzc n PHE 5 Cb 0.00 0.18 -0.06 0.00 0.35 0.00 0.00 39.48 39.95 1nzc n PHE 5 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1nzc s PHE 6 N -2.00 3.53 -1.04 -5.13 0.40 -1.26 -4.41 117.98 108.08 1nzc s PHE 6 Ca 0.00 1.57 0.00 0.00 -0.60 0.00 0.00 56.93 57.90 1nzc s PHE 6 Cb 0.00 -2.78 0.00 0.00 0.51 0.00 0.00 43.02 40.75 1nzc s PHE 6 CO 0.00 0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.46 1nzc n GLY 7 N 0.14 0.61 3.77 4.36 0.00 -0.00 -4.88 105.19 109.18 1nzc n GLY 7 Ca 0.03 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1nzc n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nzc s LYS 8 N -3.67 3.06 0.11 1.61 1.02 -1.26 -4.94 119.74 115.67 1nzc s LYS 8 Ca 0.00 1.58 -0.30 0.00 0.02 0.00 0.00 55.97 57.27 1nzc s LYS 8 Cb 0.00 -1.97 -0.06 0.00 -0.52 0.00 0.00 37.83 35.28 1nzc s LYS 8 CO 0.00 -1.08 1.14 0.99 -0.92 0.00 0.00 175.35 175.48 1nzc s THR 9 N -1.94 4.02 0.03 2.17 2.01 -1.26 -3.73 115.64 116.95 1nzc s THR 9 Ca 0.72 1.58 -0.34 0.00 0.31 0.00 0.00 61.69 63.96 1nzc s THR 9 Cb -0.24 -4.01 -0.13 0.00 0.01 0.00 0.00 72.50 68.14 1nzc s THR 9 CO 0.33 0.19 1.76 -0.11 -0.69 0.00 0.00 174.62 176.10 1nzc n LEU 10 N 3.20 3.34 -3.51 4.42 7.94 -1.26 -4.71 117.00 126.43 1nzc n LEU 10 Ca 0.06 1.02 -0.13 0.00 -1.11 0.00 0.00 56.01 55.84 1nzc n LEU 10 Cb 0.47 -1.40 -0.04 0.00 0.53 0.00 0.00 43.42 42.97 1nzc n LEU 10 CO 0.54 -0.14 0.34 0.00 -1.11 0.00 0.00 177.39 177.03 1nzc s ALA 11 N 2.71 -1.46 -0.01 1.96 0.00 -1.06 -4.98 121.76 118.93 1nzc s ALA 11 Ca 0.86 0.58 0.03 0.00 0.00 0.00 0.00 51.96 53.43 1nzc s ALA 11 Cb -0.67 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1nzc s ALA 11 CO 0.45 -0.61 -0.10 0.00 0.00 0.00 0.00 175.76 175.50 1nzc s ALA 12 N -2.98 0.81 -0.03 0.00 0.00 -1.26 -0.50 121.76 117.80 1nzc s ALA 12 Ca -0.02 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.56 1nzc s ALA 12 Cb -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 1nzc s ALA 12 CO -0.06 0.20 -0.15 1.03 0.00 0.00 0.00 175.76 176.77 1nzc s ARG 13 N -0.22 1.49 0.73 0.00 0.52 0.75 -4.96 118.95 117.24 1nzc s ARG 13 Ca 0.04 -0.54 -0.12 0.00 -0.52 0.00 0.00 55.73 54.59 1nzc s ARG 13 Cb -0.04 -1.34 0.03 0.00 0.52 0.00 0.00 34.95 34.12 1nzc s ARG 13 CO -0.00 0.25 1.09 -1.25 0.02 0.00 0.00 175.30 175.40 1nzc s PRO 14 N -0.05 2.52 -0.39 3.54 0.04 -1.26 -0.71 135.00 138.70 1nzc s PRO 14 Ca -0.01 1.21 -0.09 0.00 0.04 0.00 0.00 61.00 62.15 1nzc s PRO 14 Cb -0.09 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.57 1nzc s PRO 14 CO 0.01 -1.44 0.21 0.08 0.04 0.00 0.00 177.00 175.90 1nzc s VAL 15 N -2.75 4.24 0.28 -0.36 1.01 -1.07 -4.83 120.40 116.93 1nzc s VAL 15 Ca 0.62 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1nzc s VAL 15 Cb -0.18 -3.49 0.27 0.00 0.00 0.00 0.00 36.38 32.99 1nzc s VAL 15 CO 0.51 -0.36 1.81 -0.08 0.00 0.00 0.00 175.10 176.98 1nzc h GLU 16 N 8.38 0.84 0.00 2.72 4.81 -1.95 -1.62 114.58 127.76 1nzc h GLU 16 Ca -0.24 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1nzc h GLU 16 Cb 1.09 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 1nzc h GLU 16 CO 0.70 0.55 -0.10 0.00 -0.73 0.00 0.00 179.01 179.43 1nzc h ALA 17 N 1.56 0.99 -2.94 2.92 0.00 -1.94 -3.38 119.26 116.48 1nzc h ALA 17 Ca 0.50 -0.09 -0.60 0.00 0.00 0.00 0.00 54.91 54.72 1nzc h ALA 17 Cb 0.61 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.98 1nzc h ALA 17 CO -0.31 0.13 -0.77 0.42 0.00 0.00 0.00 179.25 178.73 1nzc s ILE 18 N -3.55 1.00 0.22 0.00 1.01 -0.61 -4.77 121.20 114.51 1nzc s ILE 18 Ca 0.02 -2.10 -0.31 0.00 0.00 0.00 0.00 60.65 58.26 1nzc s ILE 18 Cb 0.09 -1.72 -0.15 0.00 0.01 0.00 0.00 42.46 40.69 1nzc s ILE 18 CO 0.61 -0.87 1.12 -2.65 0.00 0.00 0.00 174.94 173.16 1nzc n PRO 19 N 3.96 1.32 0.00 2.79 -0.02 -1.26 -1.99 135.00 139.80 1nzc n PRO 19 Ca 0.07 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1nzc n PRO 19 Cb 0.37 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1nzc n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nzc n GLY 20 N 1.73 3.16 3.75 -1.23 0.00 -1.26 -4.89 105.19 106.45 1nzc n GLY 20 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1nzc n GLY 20 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1nzc s MET 21 N -0.48 4.69 -0.01 1.61 0.00 -0.84 -4.53 119.30 119.74 1nzc s MET 21 Ca 0.00 1.69 0.04 0.00 0.00 0.00 0.00 55.69 57.42 1nzc s MET 21 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 34.83 31.58 1nzc s MET 21 CO 0.00 0.27 -0.13 -0.51 0.00 0.00 0.00 175.02 174.65 1nzc s LEU 22 N -1.11 2.01 -0.13 4.11 1.43 -0.98 -2.59 118.68 121.42 1nzc s LEU 22 Ca 0.45 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1nzc s LEU 22 Cb -0.30 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 1nzc s LEU 22 CO 0.37 0.16 -0.10 -0.70 0.23 0.00 0.00 176.35 176.31 1nzc s GLU 23 N -0.28 3.43 -0.03 1.70 2.12 0.12 -0.88 118.70 124.88 1nzc s GLU 23 Ca 0.04 -0.63 0.04 0.00 0.36 0.00 0.00 54.97 54.79 1nzc s GLU 23 Cb -0.05 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.60 1nzc s GLU 23 CO -0.00 0.26 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.78 1nzc s PHE 24 N 0.27 2.72 -0.19 5.30 0.40 0.11 -0.18 117.98 126.41 1nzc s PHE 24 Ca -0.07 -0.14 -0.18 0.00 -0.60 0.00 0.00 56.93 55.94 1nzc s PHE 24 Cb -0.15 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 1nzc s PHE 24 CO 0.04 0.23 0.49 -0.51 0.70 0.00 0.00 175.22 176.18 1nzc s ASP 25 N -0.95 6.56 -0.19 1.36 1.01 0.35 -1.77 116.67 123.03 1nzc s ASP 25 Ca 0.13 0.66 -0.05 0.00 0.71 0.00 0.00 52.55 54.01 1nzc s ASP 25 Cb -0.11 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 1nzc s ASP 25 CO 0.02 -0.13 -0.02 -0.63 0.21 0.00 0.00 175.17 174.62 1nzc s ILE 26 N 1.42 3.87 0.07 0.77 -1.09 -0.31 -2.55 121.20 123.38 1nzc s ILE 26 Ca 0.23 -0.35 -0.30 0.00 -2.23 0.00 0.00 60.65 58.00 1nzc s ILE 26 Cb -0.15 -2.74 -0.09 0.00 -1.58 0.00 0.00 42.46 37.90 1nzc s ILE 26 CO 0.09 0.44 1.87 -2.84 -1.23 0.00 0.00 174.94 173.28 1nzc s PRO 27 N 0.87 4.14 -0.18 2.79 0.02 -1.24 -4.60 135.00 136.80 1nzc s PRO 27 Ca 0.00 2.57 0.01 0.00 0.02 0.00 0.00 61.00 63.60 1nzc s PRO 27 Cb -0.14 -3.87 0.02 0.00 0.02 0.00 0.00 34.50 30.52 1nzc s PRO 27 CO 0.02 -0.89 -0.19 0.08 -0.33 0.00 0.00 177.00 175.69 1nzc s VAL 28 N 3.59 2.16 -0.37 3.83 1.01 -1.26 -4.32 120.40 125.03 1nzc s VAL 28 Ca 0.83 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 1nzc s VAL 28 Cb -0.43 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1nzc s VAL 28 CO 0.38 0.53 0.22 -1.00 0.00 0.00 0.00 175.10 175.23 1nzc s HIS 29 N 1.29 3.23 0.24 5.22 3.76 -0.11 -0.82 115.29 128.10 1nzc s HIS 29 Ca 0.05 -0.82 -0.09 0.00 -0.15 0.00 0.00 55.06 54.05 1nzc s HIS 29 Cb -0.13 -2.46 -0.07 0.00 1.11 0.00 0.00 32.58 31.03 1nzc s HIS 29 CO -0.12 -0.60 0.55 0.20 -0.85 0.00 0.00 174.74 173.92 1nzc s GLY 30 N 1.59 2.23 0.00 -2.22 0.00 -1.26 -1.53 107.32 106.13 1nzc s GLY 30 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1nzc s GLY 30 CO 0.07 -0.17 0.00 2.09 0.00 0.00 0.00 173.10 175.09 1nzc n ASP 31 N -0.24 0.00 0.02 1.64 5.68 -0.24 -4.98 116.55 118.44 1nzc n ASP 31 Ca 0.00 -0.95 0.10 0.00 -0.50 0.00 0.00 54.79 53.44 1nzc n ASP 31 Cb 0.53 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 41.04 1nzc n ASP 31 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1nzc h ASN 32 N 0.00 0.27 0.99 -1.12 -1.07 -2.04 -2.52 115.58 110.09 1nzc h ASN 32 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.27 1nzc h ASN 32 Cb 0.00 -0.06 -0.01 0.00 -2.07 0.00 0.00 38.32 36.18 1nzc h ASN 32 CO 0.00 0.17 -0.46 0.03 0.07 0.00 0.00 177.43 177.24 1nzc h ARG 33 N 0.30 0.00 0.00 4.14 3.08 -2.00 -3.49 114.38 116.41 1nzc h ARG 33 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1nzc h ARG 33 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1nzc h ARG 33 CO -0.04 0.46 0.00 0.41 -1.07 0.00 0.00 179.97 179.73 1nzc n GLY 34 N 0.54 0.53 3.46 0.04 0.00 -0.95 -5.13 105.19 103.68 1nzc n GLY 34 Ca 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 1nzc n GLY 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1nzc s TRP 35 N 0.00 0.20 0.01 1.61 1.48 -1.26 -1.07 118.94 119.90 1nzc s TRP 35 Ca 0.00 -0.56 0.01 0.00 -1.06 0.00 0.00 56.10 54.50 1nzc s TRP 35 Cb 0.00 0.17 -0.01 0.00 -1.16 0.00 0.00 33.47 32.47 1nzc s TRP 35 CO 0.00 -0.86 -0.05 0.12 -4.06 0.00 0.00 176.95 172.11 1nzc s PHE 36 N -3.94 0.40 0.02 1.66 5.36 -0.58 -4.97 117.98 115.92 1nzc s PHE 36 Ca 0.15 -0.17 0.01 0.00 -0.96 0.00 0.00 56.93 55.97 1nzc s PHE 36 Cb 0.01 -0.25 -0.02 0.00 -0.34 0.00 0.00 43.02 42.42 1nzc s PHE 36 CO 0.01 -0.03 -0.04 -1.59 -1.46 0.00 0.00 175.22 172.11 1nzc s LYS 37 N -0.42 0.34 -0.97 10.12 -2.85 -1.26 -0.93 119.74 123.77 1nzc s LYS 37 Ca -0.01 -0.53 -0.23 0.00 -1.00 0.00 0.00 55.97 54.20 1nzc s LYS 37 Cb -0.03 -0.07 0.06 0.00 -2.06 0.00 0.00 37.83 35.72 1nzc s LYS 37 CO -0.00 0.00 1.37 -1.21 0.10 0.00 0.00 175.35 175.61 1nzc s GLU 38 N -1.17 3.53 0.27 1.78 2.02 -1.26 -4.88 118.70 118.99 1nzc s GLU 38 Ca -0.10 -1.10 -0.04 0.00 0.02 0.00 0.00 54.97 53.75 1nzc s GLU 38 Cb -0.08 -5.13 0.34 0.00 0.10 0.00 0.00 34.13 29.36 1nzc s GLU 38 CO -0.00 -2.13 1.95 -0.97 0.02 0.00 0.00 175.26 174.12 1nzc h ASN 39 N 9.69 1.07 -3.63 -0.19 -1.24 -1.96 -3.42 115.58 115.90 1nzc h ASN 39 Ca 0.12 -0.03 -0.26 0.00 0.71 0.00 0.00 56.30 56.85 1nzc h ASN 39 Cb 1.02 -0.27 -0.31 0.00 0.73 0.00 0.00 38.32 39.49 1nzc h ASN 39 CO 1.36 0.77 -0.71 0.12 -1.29 0.00 0.00 177.43 177.68 1nzc s PHE 40 N -6.04 0.00 -0.23 0.67 5.36 -1.26 -5.01 117.98 111.47 1nzc s PHE 40 Ca -0.12 0.09 -0.03 0.00 -0.96 0.00 0.00 56.93 55.91 1nzc s PHE 40 Cb 0.18 -0.11 0.11 0.00 -0.34 0.00 0.00 43.02 42.86 1nzc s PHE 40 CO 0.81 -0.05 0.25 -1.14 -1.46 0.00 0.00 175.22 173.63 1nzc s GLN 41 N 0.53 0.24 0.08 10.12 -0.44 -1.26 -5.06 119.66 123.87 1nzc s GLN 41 Ca -0.04 0.10 -0.24 0.00 -2.50 0.00 0.00 55.36 52.67 1nzc s GLN 41 Cb -0.06 -1.01 -0.16 0.00 -1.64 0.00 0.00 33.01 30.14 1nzc s GLN 41 CO -0.02 -0.77 1.69 -0.22 0.50 0.00 0.00 175.29 176.47 1nzc h LYS 42 N 8.29 -0.11 -0.51 1.67 3.64 -2.00 -0.36 116.57 127.19 1nzc h LYS 42 Ca -0.16 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1nzc h LYS 42 Cb 1.12 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1nzc h LYS 42 CO 0.30 -0.04 0.33 1.49 -2.27 0.00 0.00 179.45 179.26 1nzc h GLU 43 N -0.16 0.67 0.01 1.90 4.81 -2.02 -1.44 114.58 118.35 1nzc h GLU 43 Ca -0.01 -0.04 -0.23 0.00 -0.13 0.00 0.00 59.36 58.95 1nzc h GLU 43 Cb 0.12 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1nzc h GLU 43 CO 0.02 0.45 -1.13 0.87 -0.73 0.00 0.00 179.01 178.49 1nzc h LYS 44 N 0.69 0.01 0.00 1.92 1.57 -1.95 -3.39 116.57 115.42 1nzc h LYS 44 Ca 0.19 -0.02 -0.30 0.00 -1.87 0.00 0.00 60.65 58.65 1nzc h LYS 44 Cb -0.07 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 1nzc h LYS 44 CO -0.04 0.93 -1.78 -1.33 -0.57 0.00 0.00 179.45 176.66 1nzc n MET 45 N -3.31 0.64 -0.10 3.15 2.81 -0.16 -4.19 117.12 115.96 1nzc n MET 45 Ca -0.03 0.26 -0.06 0.00 -1.81 0.00 0.00 57.70 56.06 1nzc n MET 45 Cb 0.96 -1.76 0.01 0.00 -0.71 0.00 0.00 33.22 31.72 1nzc n MET 45 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1nzc h LEU 46 N 0.00 -0.18 -1.32 4.03 3.38 -1.47 -1.59 115.31 118.15 1nzc h LEU 46 Ca -0.31 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1nzc h LEU 46 Cb 2.02 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.93 1nzc h LEU 46 CO 0.07 -0.05 0.00 -2.65 0.09 0.00 0.00 178.44 175.90 1nzc n PRO 47 N -5.20 0.16 0.00 1.13 -0.02 -1.26 -1.52 135.00 128.29 1nzc n PRO 47 Ca 0.01 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.21 1nzc n PRO 47 Cb 0.19 -1.96 0.17 0.00 -0.02 0.00 0.00 33.50 31.88 1nzc n PRO 47 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1nzc n LEU 48 N -2.28 2.66 0.00 2.45 4.77 -0.65 -4.96 117.00 118.99 1nzc n LEU 48 Ca -0.01 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1nzc n LEU 48 Cb 0.08 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1nzc n LEU 48 CO 0.12 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1nzc n GLY 49 N 1.33 0.95 3.69 -0.72 0.00 -0.57 -4.69 105.19 105.16 1nzc n GLY 49 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1nzc n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nzc n PHE 50 N -0.50 2.57 -2.32 1.61 7.35 -0.91 -4.85 117.46 120.40 1nzc n PHE 50 Ca 0.00 -0.11 -0.42 0.00 -0.76 0.00 0.00 57.45 56.15 1nzc n PHE 50 Cb 0.00 -2.72 -0.03 0.00 0.35 0.00 0.00 39.48 37.09 1nzc n PHE 50 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1nzc s PRO 51 N 2.77 4.31 0.46 -7.13 0.04 -1.26 -4.36 135.00 129.84 1nzc s PRO 51 Ca 0.83 1.84 0.21 0.00 0.04 0.00 0.00 61.00 63.92 1nzc s PRO 51 Cb -0.51 -3.56 1.20 0.00 0.04 0.00 0.00 34.50 31.67 1nzc s PRO 51 CO 0.39 -0.52 1.91 0.93 0.04 0.00 0.00 177.00 179.75 1nzc h GLU 52 N 7.66 0.25 0.00 4.56 3.07 -1.93 -1.32 114.58 126.87 1nzc h GLU 52 Ca -0.36 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1nzc h GLU 52 Cb 1.17 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1nzc h GLU 52 CO 0.89 0.17 -0.01 0.66 -1.40 0.00 0.00 179.01 179.32 1nzc h SER 53 N 0.26 0.00 -1.00 1.42 4.64 -2.00 -1.89 113.55 114.98 1nzc h SER 53 Ca 0.39 0.00 0.27 0.00 -0.47 0.00 0.00 61.79 61.98 1nzc h SER 53 Cb 1.13 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.15 1nzc h SER 53 CO -0.09 0.01 0.69 0.15 -0.87 0.00 0.00 176.83 176.72 1nzc h PHE 54 N 0.00 0.28 -0.42 4.77 3.57 -1.63 -1.97 116.94 121.53 1nzc h PHE 54 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1nzc h PHE 54 Cb 0.07 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1nzc h PHE 54 CO 0.00 0.04 0.00 1.19 -2.23 0.00 0.00 178.31 177.31 1nzc n PHE 55 N -4.39 0.56 -0.30 0.41 3.01 -0.71 -4.65 117.46 111.39 1nzc n PHE 55 Ca 0.22 -0.28 0.07 0.00 1.01 0.00 0.00 57.45 58.47 1nzc n PHE 55 Cb 0.95 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 40.64 1nzc n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nzc h ALA 56 N 4.07 1.28 -0.02 4.37 0.00 -1.49 -2.48 119.26 124.98 1nzc h ALA 56 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nzc h ALA 56 Cb 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1nzc h ALA 56 CO 0.00 -0.06 -0.22 0.39 0.00 0.00 0.00 179.25 179.36 1nzc n GLU 57 N -4.85 1.72 -2.41 0.00 1.02 -1.26 -4.97 120.64 109.90 1nzc n GLU 57 Ca 0.17 -1.40 -0.17 0.00 -0.02 0.00 0.00 57.16 55.74 1nzc n GLU 57 Cb 0.42 -1.43 -0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1nzc n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nzc n GLY 58 N 1.32 -0.30 3.83 0.62 0.00 -0.94 -5.01 105.19 104.71 1nzc n GLY 58 Ca 0.11 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1nzc n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nzc s LYS 59 N -4.93 3.21 -0.18 1.61 1.02 -1.26 -5.11 119.74 114.11 1nzc s LYS 59 Ca 0.04 -0.40 -0.11 0.00 0.02 0.00 0.00 55.97 55.52 1nzc s LYS 59 Cb -0.02 -2.96 0.06 0.00 -0.52 0.00 0.00 37.83 34.39 1nzc s LYS 59 CO 0.05 0.67 0.43 -1.17 -0.92 0.00 0.00 175.35 174.41 1nzc s LEU 60 N -1.74 -0.07 -0.07 3.17 2.96 -1.26 -4.50 118.68 117.18 1nzc s LEU 60 Ca 0.24 0.93 -0.06 0.00 -0.22 0.00 0.00 54.13 55.02 1nzc s LEU 60 Cb -0.12 1.45 0.02 0.00 0.50 0.00 0.00 46.19 48.04 1nzc s LEU 60 CO 0.15 -0.19 0.18 -1.58 -1.32 0.00 0.00 176.35 173.58 1nzc s GLN 61 N 1.18 0.19 -0.23 1.98 0.74 -0.83 -5.01 119.66 117.68 1nzc s GLN 61 Ca -0.08 0.27 -0.02 0.00 0.05 0.00 0.00 55.36 55.59 1nzc s GLN 61 Cb -0.07 0.06 0.02 0.00 1.10 0.00 0.00 33.01 34.12 1nzc s GLN 61 CO -0.11 -0.05 -0.08 1.21 -0.55 0.00 0.00 175.29 175.72 1nzc s ASN 62 N 0.27 4.13 0.08 6.67 3.04 -1.26 -0.95 114.94 126.92 1nzc s ASN 62 Ca -0.01 -0.74 0.03 0.00 0.04 0.00 0.00 52.86 52.17 1nzc s ASN 62 Cb -0.03 -1.65 -0.04 0.00 -1.54 0.00 0.00 41.25 37.99 1nzc s ASN 62 CO -0.01 -0.09 0.10 0.20 -3.04 0.00 0.00 177.10 174.26 1nzc s ASN 63 N 1.35 5.64 -0.02 -4.21 0.02 -0.10 -4.97 114.94 112.65 1nzc s ASN 63 Ca 0.02 0.03 0.01 0.00 -1.02 0.00 0.00 52.86 51.89 1nzc s ASN 63 Cb -0.16 -1.55 0.02 0.00 0.02 0.00 0.00 41.25 39.59 1nzc s ASN 63 CO -0.05 0.17 -0.01 -0.69 0.02 0.00 0.00 177.10 176.54 1nzc s VAL 64 N -1.41 0.19 0.12 1.60 1.01 -1.26 -1.08 120.40 119.58 1nzc s VAL 64 Ca 0.30 0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.41 1nzc s VAL 64 Cb -0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1nzc s VAL 64 CO 0.23 0.12 -0.24 -0.94 0.00 0.00 0.00 175.10 174.27 1nzc s SER 65 N 0.73 3.01 -0.12 3.32 1.04 0.05 -4.98 113.70 116.76 1nzc s SER 65 Ca -0.07 -0.73 0.02 0.00 0.48 0.00 0.00 55.95 55.65 1nzc s SER 65 Cb -0.10 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1nzc s SER 65 CO -0.01 0.12 -0.19 0.12 0.98 0.00 0.00 173.24 174.26 1nzc s PHE 66 N -1.16 2.29 0.04 5.02 5.36 -1.26 -0.41 117.98 127.87 1nzc s PHE 66 Ca 0.11 -1.09 0.02 0.00 -0.96 0.00 0.00 56.93 55.02 1nzc s PHE 66 Cb -0.10 -1.59 -0.03 0.00 -0.34 0.00 0.00 43.02 40.96 1nzc s PHE 66 CO 0.06 -0.51 -0.07 -1.12 -1.46 0.00 0.00 175.22 172.11 1nzc s SER 67 N 0.82 0.79 0.48 6.13 0.01 -0.57 -5.00 113.70 116.36 1nzc s SER 67 Ca -0.09 -0.59 0.04 0.00 1.31 0.00 0.00 55.95 56.62 1nzc s SER 67 Cb -0.16 0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.15 1nzc s SER 67 CO -0.00 -0.24 0.68 0.00 0.41 0.00 0.00 173.24 174.08 1nzc s ARG 68 N -1.79 2.73 0.27 12.44 1.70 -1.26 -1.25 118.95 131.80 1nzc s ARG 68 Ca -0.09 -0.91 -0.29 0.00 -0.47 0.00 0.00 55.73 53.97 1nzc s ARG 68 Cb -0.08 -2.61 -0.14 0.00 -0.57 0.00 0.00 34.95 31.55 1nzc s ARG 68 CO -0.00 -0.47 1.10 1.17 -1.08 0.00 0.00 175.30 176.01 1nzc n LYS 69 N -2.11 1.47 -0.40 3.89 4.81 -0.40 -2.09 118.16 123.33 1nzc n LYS 69 Ca 0.07 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1nzc n LYS 69 Cb 0.59 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.69 1nzc n LYS 69 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1nzc n ASN 70 N 1.36 0.00 -4.76 3.14 3.02 -0.35 -4.91 115.26 112.75 1nzc n ASN 70 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 1nzc n ASN 70 Cb 0.31 -0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 38.93 1nzc n ASN 70 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1nzc n VAL 71 N -2.00 1.47 -4.00 2.41 0.31 -0.89 -1.55 118.33 114.09 1nzc n VAL 71 Ca 0.00 -0.37 -0.26 0.00 -0.01 0.00 0.00 64.34 63.71 1nzc n VAL 71 Cb 0.00 -2.00 -0.17 0.00 -0.91 0.00 0.00 33.84 30.76 1nzc n VAL 71 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1nzc s LEU 72 N -1.25 1.18 -0.11 7.52 0.20 -0.51 -0.98 118.68 124.74 1nzc s LEU 72 Ca 0.59 -0.26 0.04 0.00 0.69 0.00 0.00 54.13 55.18 1nzc s LEU 72 Cb -0.48 -0.76 0.00 0.00 -0.43 0.00 0.00 46.19 44.52 1nzc s LEU 72 CO 0.56 -0.10 -0.23 -0.13 -0.29 0.00 0.00 176.35 176.15 1nzc s ARG 73 N 1.55 3.07 0.00 1.98 0.52 -0.40 -4.41 118.95 121.26 1nzc s ARG 73 Ca 0.01 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 1nzc s ARG 73 Cb -0.13 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 33.01 1nzc s ARG 73 CO -0.06 0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.83 1nzc n GLY 74 N 3.58 0.67 3.39 -3.53 0.00 -1.26 -1.04 105.19 107.00 1nzc n GLY 74 Ca -0.19 -1.64 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 1nzc n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nzc n LEU 75 N 0.00 -4.23 -4.31 0.99 4.77 -1.00 -4.28 117.00 108.93 1nzc n LEU 75 Ca 0.00 -0.31 -0.34 0.00 -0.03 0.00 0.00 56.01 55.33 1nzc n LEU 75 Cb 0.00 -2.32 -0.14 0.00 -2.33 0.00 0.00 43.42 38.62 1nzc n LEU 75 CO 0.00 -0.54 -0.40 -1.00 -1.33 0.00 0.00 177.39 174.12 1nzc s HIS 76 N -2.56 2.93 -0.52 -1.77 3.76 -0.63 -1.03 115.29 115.47 1nzc s HIS 76 Ca 0.14 -0.91 0.07 0.00 -0.15 0.00 0.00 55.06 54.21 1nzc s HIS 76 Cb -0.02 -2.04 0.34 0.00 1.11 0.00 0.00 32.58 31.97 1nzc s HIS 76 CO 0.84 -0.49 0.88 0.00 -0.85 0.00 0.00 174.74 175.12 1nzc n ALA 77 N 4.52 3.86 -1.41 -1.40 0.00 0.37 -0.56 120.51 125.88 1nzc n ALA 77 Ca -0.18 -4.31 -0.31 0.00 0.00 0.00 0.00 53.44 48.64 1nzc n ALA 77 Cb 0.51 -0.79 0.07 0.00 0.00 0.00 0.00 19.45 19.24 1nzc n ALA 77 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nzc s GLU 78 N -3.15 2.60 -1.08 0.00 8.01 -1.25 -3.73 118.70 120.10 1nzc s GLU 78 Ca 0.46 1.08 -0.07 0.00 0.01 0.00 0.00 54.97 56.45 1nzc s GLU 78 Cb 0.30 -1.94 -0.10 0.00 -4.31 0.00 0.00 34.13 28.08 1nzc s GLU 78 CO -0.12 -1.37 2.66 -0.35 0.01 0.00 0.00 175.26 176.09 1nzc n PRO 79 N -3.28 2.74 -3.59 0.39 -0.04 -1.26 -4.31 135.00 125.64 1nzc n PRO 79 Ca 0.08 -1.68 -0.12 0.00 -0.04 0.00 0.00 63.50 61.75 1nzc n PRO 79 Cb 0.53 -2.51 -0.05 0.00 -0.04 0.00 0.00 33.50 31.43 1nzc n PRO 79 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1nzc s TRP 80 N 2.49 -0.33 0.58 0.54 -2.14 -1.26 -4.82 118.94 114.01 1nzc s TRP 80 Ca 0.56 0.18 -0.14 0.00 2.66 0.00 0.00 56.10 59.36 1nzc s TRP 80 Cb 0.16 0.32 -0.05 0.00 -3.10 0.00 0.00 33.47 30.81 1nzc s TRP 80 CO -0.04 -0.69 1.02 -0.51 -2.66 0.00 0.00 176.95 174.08 1nzc s ASP 81 N -2.43 6.22 -0.02 -2.66 1.01 -1.26 -3.83 116.67 113.70 1nzc s ASP 81 Ca -0.01 1.56 0.01 0.00 0.71 0.00 0.00 52.55 54.82 1nzc s ASP 81 Cb 0.00 -2.50 0.01 0.00 1.01 0.00 0.00 42.92 41.44 1nzc s ASP 81 CO -0.08 -0.87 -0.04 -0.54 0.21 0.00 0.00 175.17 173.85 1nzc s LYS 82 N -4.57 0.53 -0.29 8.23 1.02 -0.65 -3.57 119.74 120.44 1nzc s LYS 82 Ca 0.58 -0.12 -0.02 0.00 0.02 0.00 0.00 55.97 56.43 1nzc s LYS 82 Cb -0.12 -0.55 0.04 0.00 -0.52 0.00 0.00 37.83 36.69 1nzc s LYS 82 CO 0.43 0.02 -0.02 -0.47 -0.92 0.00 0.00 175.35 174.39 1nzc s TYR 83 N 0.37 3.22 -0.05 3.18 5.04 0.12 -0.61 117.35 128.62 1nzc s TYR 83 Ca -0.04 -1.80 0.01 0.00 -2.44 0.00 0.00 57.07 52.79 1nzc s TYR 83 Cb -0.08 -2.09 -0.03 0.00 0.35 0.00 0.00 41.96 40.11 1nzc s TYR 83 CO -0.00 -0.79 -0.04 0.42 -1.34 0.00 0.00 175.55 173.80 1nzc s ILE 84 N 1.27 3.91 0.34 3.14 1.01 0.18 -1.27 121.20 129.79 1nzc s ILE 84 Ca -0.04 -0.50 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 1nzc s ILE 84 Cb -0.19 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 39.67 1nzc s ILE 84 CO -0.02 0.52 0.80 -0.55 0.00 0.00 0.00 174.94 175.69 1nzc s SER 85 N -1.07 -0.06 -0.10 3.58 0.15 -0.71 -1.26 113.70 114.22 1nzc s SER 85 Ca 0.15 -0.96 -0.01 0.00 0.70 0.00 0.00 55.95 55.83 1nzc s SER 85 Cb -0.11 0.79 -0.03 0.00 -1.71 0.00 0.00 66.02 64.96 1nzc s SER 85 CO 0.04 -1.54 -0.07 -0.69 1.20 0.00 0.00 173.24 172.19 1nzc s VAL 86 N -2.70 3.64 -0.67 4.45 1.01 -1.26 -1.10 120.40 123.77 1nzc s VAL 86 Ca 0.15 -0.48 0.18 0.00 0.00 0.00 0.00 61.98 61.83 1nzc s VAL 86 Cb -0.05 -2.53 -0.22 0.00 0.00 0.00 0.00 36.38 33.59 1nzc s VAL 86 CO 0.10 0.56 0.69 0.00 0.00 0.00 0.00 175.10 176.44 1nzc n ALA 87 N 2.80 3.99 -3.00 5.51 0.00 0.22 -4.15 120.51 125.88 1nzc n ALA 87 Ca -0.18 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1nzc n ALA 87 Cb 0.53 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1nzc n ALA 87 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nzc n ASP 88 N -1.59 1.39 -0.76 0.00 5.75 -1.25 -5.00 116.55 115.09 1nzc n ASP 88 Ca 0.02 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.85 1nzc n ASP 88 Cb 0.33 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.58 1nzc n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nzc n GLY 89 N 4.96 1.02 3.97 6.12 0.00 -1.26 -4.44 105.19 115.56 1nzc n GLY 89 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 1nzc n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nzc s GLY 90 N -0.82 1.79 -0.00 -0.02 0.00 -1.26 -4.98 107.32 102.04 1nzc s GLY 90 Ca 0.23 -1.57 -0.11 0.00 0.00 0.00 0.00 44.72 43.27 1nzc s GLY 90 CO 0.13 -0.82 0.23 0.54 0.00 0.00 0.00 173.10 173.17 1nzc s LYS 91 N -5.63 0.59 0.11 2.90 1.02 -1.26 -4.32 119.74 113.16 1nzc s LYS 91 Ca 0.73 -0.31 0.05 0.00 0.02 0.00 0.00 55.97 56.45 1nzc s LYS 91 Cb -0.03 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.50 1nzc s LYS 91 CO 0.50 -0.16 -0.12 0.14 -0.92 0.00 0.00 175.35 174.80 1nzc s VAL 92 N -1.45 1.14 -0.49 3.17 -7.23 -0.53 -1.40 120.40 113.62 1nzc s VAL 92 Ca -0.14 -1.71 -0.23 0.00 -1.81 0.00 0.00 61.98 58.09 1nzc s VAL 92 Cb -0.06 -1.48 0.03 0.00 0.56 0.00 0.00 36.38 35.43 1nzc s VAL 92 CO 0.03 -0.51 0.84 -0.22 -0.31 0.00 0.00 175.10 174.92 1nzc s LEU 93 N -2.51 4.24 0.32 1.32 2.96 0.73 -0.91 118.68 124.82 1nzc s LEU 93 Ca 0.08 -0.22 -0.25 0.00 -0.22 0.00 0.00 54.13 53.52 1nzc s LEU 93 Cb -0.03 -2.91 -0.10 0.00 0.50 0.00 0.00 46.19 43.65 1nzc s LEU 93 CO 0.01 -1.02 0.91 -0.83 -1.32 0.00 0.00 176.35 174.10 1nzc s GLY 94 N 2.41 2.73 -0.06 7.98 0.00 0.60 -1.34 107.32 119.64 1nzc s GLY 94 Ca 0.30 0.46 -0.04 0.00 0.00 0.00 0.00 44.72 45.43 1nzc s GLY 94 CO 0.21 0.87 0.15 -1.59 0.00 0.00 0.00 173.10 172.75 1nzc s THR 95 N -1.66 -0.02 0.01 0.90 2.01 -0.45 -1.86 115.64 114.56 1nzc s THR 95 Ca 0.50 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.58 1nzc s THR 95 Cb -0.17 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 1nzc s THR 95 CO 0.22 0.03 -0.04 0.26 -0.69 0.00 0.00 174.62 174.40 1nzc s TRP 96 N 0.52 0.36 -0.08 4.92 0.51 -0.24 -1.21 118.94 123.73 1nzc s TRP 96 Ca -0.04 -0.17 -0.01 0.00 -2.12 0.00 0.00 56.10 53.77 1nzc s TRP 96 Cb -0.05 -0.23 0.03 0.00 -0.81 0.00 0.00 33.47 32.40 1nzc s TRP 96 CO -0.02 -0.03 -0.02 0.08 -0.51 0.00 0.00 176.95 176.45 1nzc s VAL 97 N -0.40 0.51 -0.12 4.03 1.01 -0.92 -2.11 120.40 122.40 1nzc s VAL 97 Ca -0.02 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1nzc s VAL 97 Cb -0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1nzc s VAL 97 CO -0.00 0.28 1.34 -0.62 0.00 0.00 0.00 175.10 176.10 1nzc s ASP 98 N 1.82 6.89 -0.09 3.32 -1.08 0.06 -0.45 116.67 127.15 1nzc s ASP 98 Ca 0.03 1.84 0.14 0.00 -0.52 0.00 0.00 52.55 54.04 1nzc s ASP 98 Cb -0.12 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.24 1nzc s ASP 98 CO -0.05 -0.77 1.37 0.18 0.52 0.00 0.00 175.17 176.41 1nzc n LEU 99 N 6.48 3.55 -4.75 -1.34 4.77 -0.51 -0.14 117.00 125.06 1nzc n LEU 99 Ca 0.14 -2.49 -0.40 0.00 -0.03 0.00 0.00 56.01 53.23 1nzc n LEU 99 Cb 0.44 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1nzc n LEU 99 CO 0.57 0.71 0.60 -0.13 -1.33 0.00 0.00 177.39 177.82 1nzc s ARG 100 N -1.89 4.73 0.20 3.23 0.52 -1.19 -0.49 118.95 124.06 1nzc s ARG 100 Ca 0.34 1.37 -0.33 0.00 -0.52 0.00 0.00 55.73 56.60 1nzc s ARG 100 Cb 0.24 -3.30 -0.13 0.00 0.52 0.00 0.00 34.95 32.28 1nzc s ARG 100 CO 0.14 0.45 1.60 -1.91 0.02 0.00 0.00 175.30 175.60 1nzc n GLU 101 N 1.90 2.38 0.00 3.54 2.13 0.07 -3.64 120.64 127.02 1nzc n GLU 101 Ca -0.02 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.66 1nzc n GLU 101 Cb 0.48 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.55 1nzc n GLU 101 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nzc n GLY 102 N 3.30 0.83 0.28 8.31 0.00 -1.26 -4.87 105.19 111.78 1nzc n GLY 102 Ca 0.15 -2.02 0.16 0.00 0.00 0.00 0.00 46.02 44.31 1nzc n GLY 102 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nzc h GLU 103 N 0.11 0.00 -0.56 1.61 4.39 -2.04 -2.75 114.58 115.34 1nzc h GLU 103 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1nzc h GLU 103 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1nzc h GLU 103 CO 0.00 0.06 0.00 0.25 -1.16 0.00 0.00 179.01 178.16 1nzc n THR 104 N -3.26 1.12 -1.84 1.13 -2.24 -1.26 -4.96 114.28 102.97 1nzc n THR 104 Ca -0.01 -1.05 -0.42 0.00 -2.27 0.00 0.00 64.05 60.30 1nzc n THR 104 Cb 0.26 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 1nzc n THR 104 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1nzc s PHE 105 N -1.14 2.46 0.00 4.78 5.36 -1.04 -1.46 117.98 126.94 1nzc s PHE 105 Ca 0.39 0.25 0.00 0.00 -0.96 0.00 0.00 56.93 56.61 1nzc s PHE 105 Cb 0.21 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.85 1nzc s PHE 105 CO 0.25 -4.17 0.00 0.41 -1.46 0.00 0.00 175.22 170.25 1nzc n GLY 106 N 4.04 1.18 3.75 13.12 0.00 0.81 -5.01 105.19 123.07 1nzc n GLY 106 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1nzc n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nzc s ASN 107 N -2.62 5.25 0.24 1.61 -0.87 -0.53 -4.67 114.94 113.35 1nzc s ASN 107 Ca 0.00 2.52 0.04 0.00 -1.57 0.00 0.00 52.86 53.85 1nzc s ASN 107 Cb 0.00 -2.61 -0.05 0.00 -0.02 0.00 0.00 41.25 38.56 1nzc s ASN 107 CO 0.00 -1.56 -0.01 0.42 -2.57 0.00 0.00 177.10 173.38 1nzc s THR 108 N -1.47 1.11 -0.08 1.60 -4.23 -1.26 -0.76 115.64 110.54 1nzc s THR 108 Ca 0.75 -2.04 -0.18 0.00 -1.18 0.00 0.00 61.69 59.03 1nzc s THR 108 Cb -0.34 -2.37 0.04 0.00 1.34 0.00 0.00 72.50 71.17 1nzc s THR 108 CO 0.38 -0.31 0.43 -0.47 -0.54 0.00 0.00 174.62 174.11 1nzc s TYR 109 N -3.37 -0.39 0.02 3.99 5.04 -0.90 -4.85 117.35 116.88 1nzc s TYR 109 Ca 0.29 0.81 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 1nzc s TYR 109 Cb 0.06 0.18 -0.01 0.00 0.35 0.00 0.00 41.96 42.53 1nzc s TYR 109 CO 0.09 -0.37 -0.03 -0.65 -1.34 0.00 0.00 175.55 173.26 1nzc s GLN 110 N -0.66 0.26 0.07 4.97 -0.21 -1.26 -1.08 119.66 121.75 1nzc s GLN 110 Ca -0.08 -0.46 -0.26 0.00 0.02 0.00 0.00 55.36 54.59 1nzc s GLN 110 Cb -0.03 0.03 0.07 0.00 1.00 0.00 0.00 33.01 34.08 1nzc s GLN 110 CO 0.04 -0.02 0.66 -0.08 -2.12 0.00 0.00 175.29 173.76 1nzc s THR 111 N -1.04 0.00 -0.00 -0.19 -1.32 -0.78 -5.01 115.64 107.30 1nzc s THR 111 Ca -0.11 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.08 1nzc s THR 111 Cb -0.07 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.89 1nzc s THR 111 CO -0.01 0.00 0.96 -0.69 -2.21 0.00 0.00 174.62 172.67 1nzc s VAL 112 N -2.86 4.88 -0.18 5.08 1.01 -1.26 -0.29 120.40 126.78 1nzc s VAL 112 Ca -0.02 2.01 -0.02 0.00 0.00 0.00 0.00 61.98 63.94 1nzc s VAL 112 Cb -0.01 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1nzc s VAL 112 CO -0.05 0.17 -0.08 -0.63 0.00 0.00 0.00 175.10 174.50 1nzc s ILE 113 N 0.98 3.22 0.00 2.22 1.01 -0.09 -4.91 121.20 123.63 1nzc s ILE 113 Ca 0.51 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1nzc s ILE 113 Cb -0.21 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1nzc s ILE 113 CO 0.27 0.47 0.00 -0.90 0.00 0.00 0.00 174.94 174.78 1nzc n ASP 114 N 4.24 1.74 0.26 3.58 5.68 -1.26 -1.45 116.55 129.35 1nzc n ASP 114 Ca -0.18 -0.84 0.18 0.00 -0.50 0.00 0.00 54.79 53.44 1nzc n ASP 114 Cb 0.52 0.00 0.91 0.00 -1.14 0.00 0.00 41.12 41.41 1nzc n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nzc h ALA 115 N 1.00 1.00 -0.33 2.12 0.00 -1.75 -2.30 119.26 119.00 1nzc h ALA 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nzc h ALA 115 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nzc h ALA 115 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1nzc n SER 116 N -2.76 2.05 -3.93 0.00 3.41 -1.26 -4.80 113.62 106.33 1nzc n SER 116 Ca -0.02 -1.91 -0.12 0.00 -0.26 0.00 0.00 58.87 56.56 1nzc n SER 116 Cb 0.09 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 63.70 1nzc n SER 116 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1nzc s LYS 117 N -1.56 0.19 0.15 4.33 2.20 -0.87 -1.17 119.74 123.01 1nzc s LYS 117 Ca 0.29 -0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.67 1nzc s LYS 117 Cb 0.15 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 1nzc s LYS 117 CO 0.21 0.01 0.00 -1.54 -0.36 0.00 0.00 175.35 173.67 1nzc s SER 118 N -0.51 1.02 -0.03 1.43 1.04 -0.73 -4.46 113.70 111.47 1nzc s SER 118 Ca -0.05 -1.15 -0.00 0.00 0.48 0.00 0.00 55.95 55.23 1nzc s SER 118 Cb -0.04 0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.26 1nzc s SER 118 CO -0.00 -0.58 0.02 -0.63 0.98 0.00 0.00 173.24 173.03 1nzc s ILE 119 N -3.73 0.02 -0.22 -1.02 -1.09 -0.39 -0.71 121.20 114.06 1nzc s ILE 119 Ca 0.22 0.20 -0.17 0.00 -2.23 0.00 0.00 60.65 58.67 1nzc s ILE 119 Cb 0.06 -0.17 -0.03 0.00 -1.58 0.00 0.00 42.46 40.74 1nzc s ILE 119 CO 0.02 0.13 0.45 0.12 -1.23 0.00 0.00 174.94 174.42 1nzc s PHE 120 N 1.24 3.33 -0.32 3.97 5.36 -0.06 -0.64 117.98 130.86 1nzc s PHE 120 Ca -0.07 0.63 -0.03 0.00 -0.96 0.00 0.00 56.93 56.50 1nzc s PHE 120 Cb -0.13 -2.60 0.06 0.00 -0.34 0.00 0.00 43.02 40.00 1nzc s PHE 120 CO -0.03 -0.12 0.04 0.08 -1.46 0.00 0.00 175.22 173.74 1nzc s VAL 121 N 1.69 3.16 0.57 3.12 1.01 0.23 -2.31 120.40 127.86 1nzc s VAL 121 Ca 0.20 -1.42 -0.19 0.00 0.00 0.00 0.00 61.98 60.56 1nzc s VAL 121 Cb -0.15 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1nzc s VAL 121 CO 0.09 -0.19 1.17 -2.16 0.00 0.00 0.00 175.10 174.00 1nzc s PRO 122 N 1.26 3.18 0.31 2.72 0.04 -1.26 -1.64 135.00 139.61 1nzc s PRO 122 Ca -0.03 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 1nzc s PRO 122 Cb -0.20 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 1nzc s PRO 122 CO -0.01 -1.01 1.47 2.89 0.04 0.00 0.00 177.00 180.38 1nzc n ARG 123 N -1.43 2.45 0.00 4.56 1.85 -1.25 -2.18 116.66 120.65 1nzc n ARG 123 Ca 0.13 0.87 0.00 0.00 -1.00 0.00 0.00 57.85 57.84 1nzc n ARG 123 Cb 0.50 -2.57 0.00 0.00 -1.05 0.00 0.00 32.46 29.34 1nzc n ARG 123 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nzc n GLY 124 N 1.48 0.42 3.46 2.89 0.00 -1.26 -5.00 105.19 107.18 1nzc n GLY 124 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1nzc n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nzc s VAL 125 N -2.00 4.14 0.15 1.61 1.01 -0.93 -1.42 120.40 122.96 1nzc s VAL 125 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1nzc s VAL 125 Cb 0.00 -2.90 -0.08 0.00 0.00 0.00 0.00 36.38 33.41 1nzc s VAL 125 CO 0.00 0.40 1.24 0.00 0.00 0.00 0.00 175.10 176.74 1nzc s ALA 126 N 1.20 3.46 -0.05 5.51 0.00 0.41 -4.55 121.76 127.73 1nzc s ALA 126 Ca 0.04 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1nzc s ALA 126 Cb -0.14 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1nzc s ALA 126 CO 0.02 -0.44 -0.06 1.21 0.00 0.00 0.00 175.76 176.49 1nzc s ASN 127 N 0.50 4.70 0.26 0.00 2.47 0.28 -2.17 114.94 120.98 1nzc s ASN 127 Ca 0.56 -0.03 -0.21 0.00 0.42 0.00 0.00 52.86 53.60 1nzc s ASN 127 Cb -0.33 -1.18 0.03 0.00 -1.45 0.00 0.00 41.25 38.32 1nzc s ASN 127 CO 0.34 0.35 0.70 -0.83 -3.72 0.00 0.00 177.10 173.94 1nzc s GLY 128 N -0.95 -0.18 0.09 1.21 0.00 -0.35 -1.61 107.32 105.53 1nzc s GLY 128 Ca 0.14 -0.18 -0.22 0.00 0.00 0.00 0.00 44.72 44.46 1nzc s GLY 128 CO 0.03 -0.05 0.52 -0.11 0.00 0.00 0.00 173.10 173.49 1nzc s PHE 129 N -3.89 -0.42 -0.04 1.90 -0.12 -0.21 -1.34 117.98 113.86 1nzc s PHE 129 Ca 0.09 0.35 0.05 0.00 -0.05 0.00 0.00 56.93 57.37 1nzc s PHE 129 Cb -0.05 0.38 -0.01 0.00 -0.63 0.00 0.00 43.02 42.71 1nzc s PHE 129 CO 0.04 -0.70 -0.20 -1.14 -0.05 0.00 0.00 175.22 173.16 1nzc s GLN 130 N -2.98 2.00 -0.14 1.99 0.74 -0.45 -1.28 119.66 119.54 1nzc s GLN 130 Ca -0.02 -0.73 -0.29 0.00 0.05 0.00 0.00 55.36 54.36 1nzc s GLN 130 Cb -0.00 -1.76 -0.01 0.00 1.10 0.00 0.00 33.01 32.34 1nzc s GLN 130 CO -0.06 0.33 1.09 0.08 -0.55 0.00 0.00 175.29 176.18 1nzc s VAL 131 N -0.15 4.59 -0.15 1.34 1.01 -0.15 -0.19 120.40 126.70 1nzc s VAL 131 Ca -0.01 1.89 0.06 0.00 0.00 0.00 0.00 61.98 63.92 1nzc s VAL 131 Cb -0.11 -4.22 -0.23 0.00 0.00 0.00 0.00 36.38 31.82 1nzc s VAL 131 CO 0.02 -0.07 0.24 0.18 0.00 0.00 0.00 175.10 175.47 1nzc n LEU 132 N 5.67 1.63 -4.95 3.92 4.77 -0.50 -1.21 117.00 126.34 1nzc n LEU 132 Ca 0.11 0.14 -0.27 0.00 -0.03 0.00 0.00 56.01 55.96 1nzc n LEU 132 Cb 0.47 -0.35 0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1nzc n LEU 132 CO 0.53 0.67 0.71 -0.94 -1.33 0.00 0.00 177.39 177.03 1nzc s SER 133 N -6.31 3.94 0.27 -1.43 1.04 -1.14 -4.87 113.70 105.21 1nzc s SER 133 Ca -0.18 0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.35 1nzc s SER 133 Cb 0.07 -0.43 0.37 0.00 0.10 0.00 0.00 66.02 66.13 1nzc s SER 133 CO 0.76 -2.17 1.87 0.44 0.98 0.00 0.00 173.24 175.13 1nzc h ASP 134 N -1.03 0.91 -5.17 7.02 3.32 -1.93 -3.20 116.42 116.33 1nzc h ASP 134 Ca -0.42 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.45 1nzc h ASP 134 Cb 1.27 -0.23 -0.13 0.00 0.22 0.00 0.00 39.33 40.46 1nzc h ASP 134 CO 0.45 0.77 -0.25 -0.36 -1.72 0.00 0.00 179.24 178.14 1nzc s PHE 135 N -5.57 0.14 -0.12 4.55 0.40 -1.26 -1.28 117.98 114.85 1nzc s PHE 135 Ca -0.11 -0.52 -0.18 0.00 -0.60 0.00 0.00 56.93 55.53 1nzc s PHE 135 Cb 0.16 0.06 0.04 0.00 0.51 0.00 0.00 43.02 43.79 1nzc s PHE 135 CO 0.81 -0.68 0.46 0.54 0.70 0.00 0.00 175.22 177.04 1nzc s VAL 136 N -3.89 0.02 -0.27 -0.44 0.11 -0.38 -4.26 120.40 111.28 1nzc s VAL 136 Ca 0.09 -0.13 -0.08 0.00 -2.93 0.00 0.00 61.98 58.94 1nzc s VAL 136 Cb 0.03 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 1nzc s VAL 136 CO -0.06 -0.07 0.09 0.00 -3.33 0.00 0.00 175.10 171.73 1nzc s ALA 137 N -0.36 3.17 -0.26 1.54 0.00 -1.26 -1.52 121.76 123.06 1nzc s ALA 137 Ca -0.05 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 1nzc s ALA 137 Cb -0.03 -2.15 0.02 0.00 0.00 0.00 0.00 23.12 20.96 1nzc s ALA 137 CO 0.03 -0.64 -0.02 -0.47 0.00 0.00 0.00 175.76 174.65 1nzc s TYR 138 N 1.60 3.11 -0.09 0.00 5.04 0.45 -0.61 117.35 126.84 1nzc s TYR 138 Ca 0.05 -1.47 0.03 0.00 -2.44 0.00 0.00 57.07 53.25 1nzc s TYR 138 Cb -0.16 -2.11 0.01 0.00 0.35 0.00 0.00 41.96 40.05 1nzc s TYR 138 CO 0.04 -0.70 -0.20 0.45 -1.34 0.00 0.00 175.55 173.79 1nzc s SER 139 N 1.35 2.70 0.04 4.32 0.15 -0.26 -0.77 113.70 121.24 1nzc s SER 139 Ca 0.00 -0.49 -0.06 0.00 0.70 0.00 0.00 55.95 56.11 1nzc s SER 139 Cb -0.17 -1.24 -0.01 0.00 -1.71 0.00 0.00 66.02 62.89 1nzc s SER 139 CO -0.03 0.11 0.11 -0.72 1.20 0.00 0.00 173.24 173.91 1nzc s TYR 140 N 0.51 0.19 -0.05 3.44 -0.85 -0.24 -1.74 117.35 118.60 1nzc s TYR 140 Ca -0.16 -0.50 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 1nzc s TYR 140 Cb -0.17 -0.13 -0.03 0.00 0.38 0.00 0.00 41.96 42.00 1nzc s TYR 140 CO 0.06 -0.38 -0.02 -0.51 -1.52 0.00 0.00 175.55 173.18 1nzc s LEU 141 N -2.18 3.42 0.12 -3.49 1.43 -0.39 -0.92 118.68 116.66 1nzc s LEU 141 Ca -0.04 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1nzc s LEU 141 Cb -0.01 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1nzc s LEU 141 CO -0.05 0.34 -0.07 0.68 0.23 0.00 0.00 176.35 177.48 1nzc s VAL 142 N -0.92 0.85 -0.13 -1.59 -7.23 -0.13 -0.71 120.40 110.53 1nzc s VAL 142 Ca 0.15 -1.98 0.19 0.00 -1.81 0.00 0.00 61.98 58.53 1nzc s VAL 142 Cb -0.11 -1.75 0.31 0.00 0.56 0.00 0.00 36.38 35.39 1nzc s VAL 142 CO 0.04 -0.82 1.17 -0.46 -0.31 0.00 0.00 175.10 174.73 1nzc n ASN 143 N -0.10 2.49 -4.01 4.85 6.94 -1.23 -1.96 115.26 122.24 1nzc n ASN 143 Ca -0.11 -3.08 -0.09 0.00 -0.02 0.00 0.00 54.58 51.28 1nzc n ASN 143 Cb 0.61 -0.44 -0.06 0.00 -2.36 0.00 0.00 39.78 37.54 1nzc n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1nzc s ASP 144 N -2.78 -0.08 -0.27 0.53 -1.08 -1.26 -4.58 116.67 107.15 1nzc s ASP 144 Ca 0.33 -0.96 -0.06 0.00 -0.52 0.00 0.00 52.55 51.34 1nzc s ASP 144 Cb 0.28 0.57 0.00 0.00 -1.46 0.00 0.00 42.92 42.32 1nzc s ASP 144 CO 0.04 -1.12 0.04 -0.31 0.52 0.00 0.00 175.17 174.33 1nzc s TYR 145 N -4.02 3.10 0.42 -5.34 4.12 -1.26 -4.88 117.35 109.50 1nzc s TYR 145 Ca 0.23 -1.00 -0.26 0.00 0.02 0.00 0.00 57.07 56.07 1nzc s TYR 145 Cb -0.00 -2.20 -0.10 0.00 -1.52 0.00 0.00 41.96 38.14 1nzc s TYR 145 CO 0.09 -0.57 1.29 1.87 0.02 0.00 0.00 175.55 178.26 1nzc n TRP 146 N 4.83 2.22 -3.81 2.71 -0.00 -1.26 -5.05 117.44 117.08 1nzc n TRP 146 Ca -0.15 0.49 -0.13 0.00 -0.00 0.00 0.00 57.50 57.71 1nzc n TRP 146 Cb 0.49 -2.39 -0.13 0.00 -0.00 0.00 0.00 31.31 29.27 1nzc n TRP 146 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1nzc s ALA 147 N -1.19 -0.31 0.21 5.87 0.00 -1.26 -5.06 121.76 120.01 1nzc s ALA 147 Ca 0.61 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.89 1nzc s ALA 147 Cb -0.50 -0.27 0.26 0.00 0.00 0.00 0.00 23.12 22.61 1nzc s ALA 147 CO 0.58 -0.08 1.65 1.25 0.00 0.00 0.00 175.76 179.16 1nzc h LEU 148 N 6.25 -0.39 -1.65 0.00 6.46 -2.02 -1.85 115.31 122.10 1nzc h LEU 148 Ca -0.29 0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.60 1nzc h LEU 148 Cb 1.19 0.31 -0.00 0.00 -0.73 0.00 0.00 40.66 41.43 1nzc h LEU 148 CO 0.43 -0.15 -0.16 -0.33 -0.62 0.00 0.00 178.44 177.60 1nzc h GLU 149 N 0.06 0.00 -0.00 1.25 3.07 -2.03 -2.32 114.58 114.61 1nzc h GLU 149 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1nzc h GLU 149 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1nzc h GLU 149 CO -0.56 0.16 -0.27 1.28 -1.40 0.00 0.00 179.01 178.22 1nzc n LEU 150 N -3.57 0.75 -0.06 1.33 4.77 -0.70 -4.39 117.00 115.13 1nzc n LEU 150 Ca -0.01 -0.11 0.06 0.00 -0.03 0.00 0.00 56.01 55.91 1nzc n LEU 150 Cb 0.30 -0.18 0.42 0.00 -2.33 0.00 0.00 43.42 41.63 1nzc n LEU 150 CO 0.31 0.15 1.18 0.50 -1.33 0.00 0.00 177.39 178.20 1nzc h LYS 151 N 0.75 0.57 -0.07 3.23 3.64 -1.36 0.13 116.57 123.46 1nzc h LYS 151 Ca 0.00 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1nzc h LYS 151 Cb 0.47 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1nzc h LYS 151 CO 0.00 0.37 0.09 -1.35 -2.27 0.00 0.00 179.45 176.29 1nzc h PRO 152 N 0.58 0.00 0.00 1.90 0.11 -1.81 -1.85 132.00 130.93 1nzc h PRO 152 Ca 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1nzc h PRO 152 Cb 0.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 1nzc h PRO 152 CO -0.05 0.00 -0.04 0.87 -0.21 0.00 0.00 178.00 178.56 1nzc h LYS 153 N 0.00 0.00 -7.16 1.05 1.57 -1.05 -3.47 116.57 107.51 1nzc h LYS 153 Ca 0.03 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.35 1nzc h LYS 153 Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.53 1nzc h LYS 153 CO -0.00 0.04 0.36 0.71 -0.57 0.00 0.00 179.45 180.00 1nzc s TYR 154 N -3.32 3.42 -0.07 -1.35 4.12 -0.70 -5.04 117.35 114.42 1nzc s TYR 154 Ca 0.05 1.49 -0.18 0.00 0.02 0.00 0.00 57.07 58.46 1nzc s TYR 154 Cb 0.06 -2.80 -0.05 0.00 -1.52 0.00 0.00 41.96 37.66 1nzc s TYR 154 CO 0.64 -0.31 0.48 0.00 0.02 0.00 0.00 175.55 176.39 1nzc s ALA 155 N -2.52 3.53 0.04 3.71 0.00 -1.24 -5.00 121.76 120.27 1nzc s ALA 155 Ca 0.59 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1nzc s ALA 155 Cb -0.10 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 1nzc s ALA 155 CO 0.27 0.15 -0.05 -0.06 0.00 0.00 0.00 175.76 176.07 1nzc s PHE 156 N 0.05 0.54 0.03 0.00 0.40 -1.26 -0.48 117.98 117.26 1nzc s PHE 156 Ca 0.26 -0.63 0.02 0.00 -0.60 0.00 0.00 56.93 55.99 1nzc s PHE 156 Cb -0.16 -0.34 -0.02 0.00 0.51 0.00 0.00 43.02 43.01 1nzc s PHE 156 CO 0.12 -0.16 -0.07 0.54 0.70 0.00 0.00 175.22 176.35 1nzc s VAL 157 N -1.99 0.53 0.00 -0.44 0.11 -0.20 -4.46 120.40 113.96 1nzc s VAL 157 Ca -0.07 -0.92 -0.30 0.00 -2.93 0.00 0.00 61.98 57.76 1nzc s VAL 157 Cb -0.06 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 1nzc s VAL 157 CO -0.02 -0.28 1.34 0.21 -3.33 0.00 0.00 175.10 173.02 1nzc s ASN 158 N -1.30 6.91 0.57 3.54 3.84 0.11 -4.15 114.94 124.46 1nzc s ASN 158 Ca -0.07 2.05 0.27 0.00 0.21 0.00 0.00 52.86 55.32 1nzc s ASN 158 Cb -0.08 -2.56 1.53 0.00 -0.55 0.00 0.00 41.25 39.59 1nzc s ASN 158 CO 0.00 -0.66 2.05 0.10 -2.79 0.00 0.00 177.10 175.80 1nzc h TYR 159 N 7.59 0.00 -0.48 0.43 -0.00 -1.80 -2.57 116.97 120.14 1nzc h TYR 159 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.35 1nzc h TYR 159 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.91 1nzc h TYR 159 CO 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.89 1nzc n ALA 160 N -2.43 2.37 -1.79 0.10 0.00 -1.26 -4.91 120.51 112.59 1nzc n ALA 160 Ca 0.04 -1.10 -0.43 0.00 0.00 0.00 0.00 53.44 51.95 1nzc n ALA 160 Cb 0.43 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1nzc n ALA 160 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nzc s ASP 161 N -1.22 5.90 0.10 0.00 -1.08 -0.97 -4.82 116.67 114.59 1nzc s ASP 161 Ca 0.39 1.88 0.21 0.00 -0.52 0.00 0.00 52.55 54.50 1nzc s ASP 161 Cb 0.21 -2.52 0.84 0.00 -1.46 0.00 0.00 42.92 40.00 1nzc s ASP 161 CO 0.29 -1.61 1.64 -0.81 0.52 0.00 0.00 175.17 175.20 1nzc n PRO 162 N 8.26 0.09 0.03 4.34 -0.04 -1.26 -2.13 135.00 144.29 1nzc n PRO 162 Ca 0.25 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 64.10 1nzc n PRO 162 Cb 0.45 -1.65 0.51 0.00 -0.04 0.00 0.00 33.50 32.77 1nzc n PRO 162 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1nzc n SER 163 N -1.82 0.23 -4.77 3.54 3.41 -1.26 -4.82 113.62 108.14 1nzc n SER 163 Ca 0.04 0.53 -0.39 0.00 -0.26 0.00 0.00 58.87 58.78 1nzc n SER 163 Cb 0.24 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 1nzc n SER 163 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nzc s LEU 164 N -3.46 4.32 -1.40 1.04 1.43 -0.90 -4.92 118.68 114.79 1nzc s LEU 164 Ca 0.11 2.44 -0.07 0.00 -1.03 0.00 0.00 54.13 55.58 1nzc s LEU 164 Cb 0.15 -3.85 0.07 0.00 0.03 0.00 0.00 46.19 42.60 1nzc s LEU 164 CO 0.49 -0.55 2.46 -0.67 0.23 0.00 0.00 176.35 178.31 1nzc n ASP 165 N 0.47 7.66 -4.05 2.29 2.03 -1.26 -4.84 116.55 118.85 1nzc n ASP 165 Ca 0.02 -2.98 -0.08 0.00 0.52 0.00 0.00 54.79 52.27 1nzc n ASP 165 Cb 0.45 -1.44 -0.10 0.00 -0.72 0.00 0.00 41.12 39.31 1nzc n ASP 165 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1nzc s ILE 166 N 0.05 0.19 -0.10 5.18 -4.36 -1.26 -4.76 121.20 116.15 1nzc s ILE 166 Ca 0.56 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.50 1nzc s ILE 166 Cb 0.17 -1.01 0.02 0.00 1.25 0.00 0.00 42.46 42.89 1nzc s ILE 166 CO -0.07 -0.79 -0.07 -0.75 0.24 0.00 0.00 174.94 173.49 1nzc s LYS 167 N -2.91 1.42 0.67 0.37 2.47 -1.26 -5.08 119.74 115.42 1nzc s LYS 167 Ca -0.02 -0.24 -0.11 0.00 -1.56 0.00 0.00 55.97 54.04 1nzc s LYS 167 Cb 0.01 -1.45 -0.01 0.00 -1.46 0.00 0.00 37.83 34.92 1nzc s LYS 167 CO -0.06 -0.21 1.05 -1.58 0.16 0.00 0.00 175.35 174.71 1nzc s TRP 168 N 1.51 3.31 0.06 4.03 0.52 -1.26 -4.99 118.94 122.12 1nzc s TRP 168 Ca 0.01 1.32 -0.22 0.00 0.02 0.00 0.00 56.10 57.22 1nzc s TRP 168 Cb -0.13 -2.85 -0.14 0.00 -1.15 0.00 0.00 33.47 29.20 1nzc s TRP 168 CO -0.05 -1.06 1.56 1.49 0.02 0.00 0.00 176.95 178.91 1nzc h GLU 169 N -0.59 0.14 -1.97 4.98 4.57 -1.96 -3.40 114.58 116.35 1nzc h GLU 169 Ca -0.44 -0.03 -0.45 0.00 -1.18 0.00 0.00 59.36 57.26 1nzc h GLU 169 Cb 1.21 -0.02 -0.32 0.00 -0.16 0.00 0.00 28.75 29.46 1nzc h GLU 169 CO 0.60 0.31 -0.81 1.21 -1.18 0.00 0.00 179.01 179.14 1nzc s ASN 170 N -5.53 0.73 0.29 1.04 3.84 -1.26 -5.00 114.94 109.04 1nzc s ASN 170 Ca -0.14 -2.48 -0.01 0.00 0.21 0.00 0.00 52.86 50.44 1nzc s ASN 170 Cb 0.05 0.30 0.42 0.00 -0.55 0.00 0.00 41.25 41.47 1nzc s ASN 170 CO 0.69 -0.16 1.84 0.25 -2.79 0.00 0.00 177.10 176.92 1nzc h LEU 171 N 5.75 0.76 -0.90 3.21 5.85 -1.99 -2.85 115.31 125.15 1nzc h LEU 171 Ca 0.18 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1nzc h LEU 171 Cb 0.98 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1nzc h LEU 171 CO 0.25 0.74 0.07 -0.33 -0.34 0.00 0.00 178.44 178.83 1nzc h GLU 172 N 0.79 0.89 -0.69 1.25 3.07 -1.98 -2.64 114.58 115.28 1nzc h GLU 172 Ca 0.18 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1nzc h GLU 172 Cb 0.28 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1nzc h GLU 172 CO -0.00 0.84 0.00 0.39 -1.40 0.00 0.00 179.01 178.84 1nzc n GLU 173 N -4.23 3.36 -1.81 2.33 1.02 -1.18 -4.99 120.64 115.13 1nzc n GLU 173 Ca 0.04 -2.77 -0.41 0.00 -0.02 0.00 0.00 57.16 54.00 1nzc n GLU 173 Cb 0.27 -1.78 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 1nzc n GLU 173 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nzc s ALA 174 N -1.56 3.71 -0.31 0.62 0.00 -1.00 -4.80 121.76 118.43 1nzc s ALA 174 Ca 0.50 1.54 -0.05 0.00 0.00 0.00 0.00 51.96 53.95 1nzc s ALA 174 Cb 0.30 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1nzc s ALA 174 CO 0.28 -0.96 0.05 -2.00 0.00 0.00 0.00 175.76 173.13 1nzc s GLU 175 N -0.65 2.73 0.15 0.00 2.56 -0.60 -4.93 118.70 117.96 1nzc s GLU 175 Ca 0.62 -1.09 0.07 0.00 0.00 0.00 0.00 54.97 54.57 1nzc s GLU 175 Cb -0.47 -3.32 -0.04 0.00 2.00 0.00 0.00 34.13 32.30 1nzc s GLU 175 CO 0.49 -0.56 -0.15 0.08 -0.56 0.00 0.00 175.26 174.55 1nzc s VAL 176 N 1.39 1.57 0.72 3.70 1.01 -1.26 -1.42 120.40 126.11 1nzc s VAL 176 Ca -0.01 -1.91 -0.11 0.00 0.00 0.00 0.00 61.98 59.95 1nzc s VAL 176 Cb -0.19 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.46 1nzc s VAL 176 CO 0.01 -0.44 1.08 -0.94 0.00 0.00 0.00 175.10 174.81 1nzc s SER 177 N -2.75 4.95 0.24 3.32 1.04 -1.26 -4.89 113.70 114.35 1nzc s SER 177 Ca 0.14 1.76 -0.07 0.00 0.48 0.00 0.00 55.95 58.27 1nzc s SER 177 Cb -0.04 -2.51 0.26 0.00 0.10 0.00 0.00 66.02 63.83 1nzc s SER 177 CO 0.05 -1.73 1.89 -0.33 0.98 0.00 0.00 173.24 174.10 1nzc h GLU 178 N -0.79 1.13 -0.42 4.02 5.08 -2.01 -1.02 114.58 120.57 1nzc h GLU 178 Ca -0.44 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1nzc h GLU 178 Cb 1.22 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1nzc h GLU 178 CO 0.54 0.75 0.28 0.00 -1.00 0.00 0.00 179.01 179.58 1nzc h ALA 179 N 1.36 0.54 0.00 3.43 0.00 -1.98 -2.48 119.26 120.13 1nzc h ALA 179 Ca 0.35 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 1nzc h ALA 179 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1nzc h ALA 179 CO -0.10 -0.01 -0.44 -0.44 0.00 0.00 0.00 179.25 178.25 1nzc h ASP 180 N 0.57 0.00 0.07 0.00 3.32 -1.82 -1.77 116.42 116.80 1nzc h ASP 180 Ca 0.16 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1nzc h ASP 180 Cb -0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1nzc h ASP 180 CO -0.04 0.44 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.52 1nzc h GLU 181 N 0.00 0.00 -0.42 3.56 4.39 -0.74 -3.28 114.58 118.10 1nzc h GLU 181 Ca -0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1nzc h GLU 181 Cb 0.79 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1nzc h GLU 181 CO 0.06 0.08 0.00 0.09 -1.16 0.00 0.00 179.01 178.08 1nzc n ASN 182 N -4.45 3.14 -4.78 1.42 3.02 -0.68 -5.00 115.26 107.94 1nzc n ASN 182 Ca -0.03 -2.02 -0.34 0.00 -0.03 0.00 0.00 54.58 52.16 1nzc n ASN 182 Cb 0.16 -0.28 0.02 0.00 -0.61 0.00 0.00 39.78 39.06 1nzc n ASN 182 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1nzc s HIS 183 N -1.04 2.70 0.64 3.10 3.76 -1.14 -4.99 115.29 118.32 1nzc s HIS 183 Ca 0.28 1.55 -0.16 0.00 -0.15 0.00 0.00 55.06 56.58 1nzc s HIS 183 Cb 0.15 -3.21 -0.01 0.00 1.11 0.00 0.00 32.58 30.63 1nzc s HIS 183 CO 0.19 -1.54 1.13 -1.25 -0.85 0.00 0.00 174.74 172.42 1nzc s PRO 184 N -3.66 2.84 0.77 8.40 0.04 -1.26 -4.14 135.00 137.98 1nzc s PRO 184 Ca 0.69 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 63.11 1nzc s PRO 184 Cb -0.21 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.43 1nzc s PRO 184 CO 0.33 -1.24 1.08 -0.06 0.04 0.00 0.00 177.00 177.15 1nzc s PHE 185 N -2.17 2.80 0.41 0.56 0.40 -1.26 -0.71 117.98 118.01 1nzc s PHE 185 Ca 0.69 1.34 0.10 0.00 -0.60 0.00 0.00 56.93 58.46 1nzc s PHE 185 Cb -0.22 -3.03 0.92 0.00 0.51 0.00 0.00 43.02 41.20 1nzc s PHE 185 CO 0.39 -1.68 2.01 1.25 0.70 0.00 0.00 175.22 177.88 1nzc h LEU 186 N -1.04 0.45 -2.21 -0.37 5.85 -1.94 -1.21 115.31 114.85 1nzc h LEU 186 Ca -0.46 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1nzc h LEU 186 Cb 1.24 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1nzc h LEU 186 CO 0.56 0.30 -0.04 0.07 -0.34 0.00 0.00 178.44 178.99 1nzc h LYS 187 N 0.52 0.00 -0.60 1.25 2.10 -2.02 -1.10 116.57 116.73 1nzc h LYS 187 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1nzc h LYS 187 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1nzc h LYS 187 CO -0.06 0.04 0.00 -0.25 -2.00 0.00 0.00 179.45 177.18 1nzc n ASP 188 N -3.96 3.58 -4.56 7.07 8.00 -0.46 -4.87 116.55 121.34 1nzc n ASP 188 Ca -0.03 -1.99 -0.39 0.00 0.71 0.00 0.00 54.79 53.09 1nzc n ASP 188 Cb 0.13 -0.39 -0.10 0.00 -0.02 0.00 0.00 41.12 40.73 1nzc n ASP 188 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nzc s VAL 189 N -1.21 5.26 -0.07 2.53 1.01 -0.42 -4.96 120.40 122.55 1nzc s VAL 189 Ca 0.44 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1nzc s VAL 189 Cb 0.24 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1nzc s VAL 189 CO 0.31 0.09 1.41 -0.75 0.00 0.00 0.00 175.10 176.16 1nzc s LYS 190 N 1.82 4.24 0.31 2.72 2.20 -1.26 -4.96 119.74 124.81 1nzc s LYS 190 Ca 0.08 1.91 -0.28 0.00 -0.36 0.00 0.00 55.97 57.32 1nzc s LYS 190 Cb -0.17 -3.74 -0.13 0.00 -1.51 0.00 0.00 37.83 32.28 1nzc s LYS 190 CO 0.11 -0.68 1.14 -2.30 -0.36 0.00 0.00 175.35 173.25 1nzc n PRO 191 N 6.23 1.70 -2.79 4.03 -0.02 -1.26 -4.87 135.00 138.01 1nzc n PRO 191 Ca 0.14 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 1nzc n PRO 191 Cb 0.44 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1nzc n PRO 191 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nzc s LEU 192 N -0.19 4.24 0.59 2.45 1.43 0.36 -4.52 118.68 123.04 1nzc s LEU 192 Ca 0.57 1.39 -0.05 0.00 -1.03 0.00 0.00 54.13 55.01 1nzc s LEU 192 Cb -0.64 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.19 1nzc s LEU 192 CO 0.61 -0.39 0.89 -0.13 0.23 0.00 0.00 176.35 177.56 1nzc s ARG 193 N 1.87 2.77 0.59 1.70 0.52 -1.26 -0.75 118.95 124.39 1nzc s ARG 193 Ca 0.44 -0.17 0.35 0.00 -0.52 0.00 0.00 55.73 55.83 1nzc s ARG 193 Cb -0.18 -2.30 1.88 0.00 0.52 0.00 0.00 34.95 34.87 1nzc s ARG 193 CO 0.17 -0.76 2.21 0.87 0.02 0.00 0.00 175.30 177.82 1nzc h LYS 194 N -0.17 0.00 0.00 3.54 1.57 -1.96 -0.98 116.57 118.57 1nzc h LYS 194 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1nzc h LYS 194 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1nzc h LYS 194 CO 0.59 0.03 0.00 0.93 -0.57 0.00 0.00 179.45 180.44 1nzc h GLU 195 N 0.00 0.00 -0.02 3.15 3.07 -2.02 -2.87 114.58 115.89 1nzc h GLU 195 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nzc h GLU 195 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1nzc h GLU 195 CO 0.00 0.00 -0.26 -0.25 -1.40 0.00 0.00 179.01 177.11 1nzc n ASP 196 N -2.77 2.04 0.00 1.42 8.00 -0.38 -5.25 116.55 119.60 1nzc n ASP 196 Ca 0.02 -1.52 0.00 0.00 0.71 0.00 0.00 54.79 54.00 1nzc n ASP 196 Cb 0.33 0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 1nzc n ASP 196 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99