#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nzc s GLU 3 N 0.00 2.96 -0.12 -2.82 2.02 -1.26 -5.07 118.70 114.42 1nzc s GLU 3 Ca 0.00 -0.97 0.16 0.00 0.02 0.00 0.00 54.97 54.19 1nzc s GLU 3 Cb 0.00 -2.62 0.38 0.00 0.10 0.00 0.00 34.13 31.99 1nzc s GLU 3 CO 0.00 0.43 1.18 0.09 0.02 0.00 0.00 175.26 176.98 1nzc n ASN 4 N -0.90 1.42 -0.08 -0.19 3.02 -1.26 -4.78 115.26 112.49 1nzc n ASN 4 Ca -0.08 -3.05 -0.09 0.00 -0.03 0.00 0.00 54.58 51.33 1nzc n ASN 4 Cb 0.57 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 1nzc n ASN 4 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1nzc n PHE 5 N -0.54 0.00 -3.09 3.10 7.35 -1.26 -4.95 117.46 118.07 1nzc n PHE 5 Ca 0.13 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.47 1nzc n PHE 5 Cb 0.84 -0.48 -0.06 0.00 0.35 0.00 0.00 39.48 40.12 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 -2.82 3.53 -1.34 -5.13 0.40 -1.26 -4.43 117.98 106.93 1nzc s PHE 6 Ca -0.27 1.34 0.00 0.00 -0.60 0.00 0.00 56.93 57.40 1nzc s PHE 6 Cb 0.04 -2.61 0.00 0.00 0.51 0.00 0.00 43.02 40.97 1nzc s PHE 6 CO 0.40 0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.95 1nzc n GLY 7 N 0.23 0.83 3.77 4.36 0.00 -0.82 -4.90 105.19 108.65 1nzc n GLY 7 Ca 0.01 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.71 2.79 0.09 1.61 1.02 -1.26 -4.97 119.74 115.30 1nzc s LYS 8 Ca 0.00 1.45 -0.27 0.00 0.02 0.00 0.00 55.97 57.17 1nzc s LYS 8 Cb 0.00 -1.94 -0.06 0.00 -0.52 0.00 0.00 37.83 35.31 1nzc s LYS 8 CO 0.00 -1.27 0.85 0.99 -0.92 0.00 0.00 175.35 175.00 1nzc s THR 9 N -2.24 4.58 -0.00 2.17 2.01 -1.26 -3.80 115.64 117.11 1nzc s THR 9 Ca 0.68 1.83 -0.32 0.00 0.31 0.00 0.00 61.69 64.20 1nzc s THR 9 Cb -0.22 -4.21 -0.10 0.00 0.01 0.00 0.00 72.50 67.98 1nzc s THR 9 CO 0.40 0.36 1.93 -0.11 -0.69 0.00 0.00 174.62 176.52 1nzc n LEU 10 N 2.66 3.89 -3.69 4.42 7.94 -1.26 -4.72 117.00 126.24 1nzc n LEU 10 Ca -0.01 0.93 -0.13 0.00 -1.11 0.00 0.00 56.01 55.70 1nzc n LEU 10 Cb 0.50 -1.47 -0.07 0.00 0.53 0.00 0.00 43.42 42.91 1nzc n LEU 10 CO 0.49 0.10 0.12 0.00 -1.11 0.00 0.00 177.39 176.99 1nzc s ALA 11 N 4.20 -0.93 0.08 1.96 0.00 -1.11 -4.99 121.76 120.98 1nzc s ALA 11 Ca 0.90 0.28 0.07 0.00 0.00 0.00 0.00 51.96 53.21 1nzc s ALA 11 Cb -0.53 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1nzc s ALA 11 CO 0.45 -0.41 -0.19 0.00 0.00 0.00 0.00 175.76 175.62 1nzc s ALA 12 N -2.27 1.58 0.04 0.00 0.00 -1.26 -1.40 121.76 118.45 1nzc s ALA 12 Ca -0.07 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.78 1nzc s ALA 12 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1nzc s ALA 12 CO -0.01 0.30 -0.08 1.03 0.00 0.00 0.00 175.76 176.99 1nzc s ARG 13 N -1.75 0.56 0.75 0.00 0.52 0.40 -4.97 118.95 114.46 1nzc s ARG 13 Ca 0.04 -0.73 -0.11 0.00 -0.52 0.00 0.00 55.73 54.40 1nzc s ARG 13 Cb -0.10 -0.37 0.04 0.00 0.52 0.00 0.00 34.95 35.04 1nzc s ARG 13 CO 0.03 0.07 1.08 -1.25 0.02 0.00 0.00 175.30 175.26 1nzc s PRO 14 N -1.47 2.50 -0.37 3.54 0.04 -1.26 -1.11 135.00 136.86 1nzc s PRO 14 Ca -0.08 0.75 -0.07 0.00 0.04 0.00 0.00 61.00 61.64 1nzc s PRO 14 Cb -0.09 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.55 1nzc s PRO 14 CO 0.01 -1.36 0.17 0.08 0.04 0.00 0.00 177.00 175.94 1nzc s VAL 15 N -3.13 3.91 0.24 -0.36 1.01 -1.23 -4.77 120.40 116.07 1nzc s VAL 15 Ca 0.59 -1.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1nzc s VAL 15 Cb -0.14 -3.32 0.22 0.00 0.00 0.00 0.00 36.38 33.14 1nzc s VAL 15 CO 0.54 -0.35 1.69 -0.33 0.00 0.00 0.00 175.10 176.66 1nzc h GLU 16 N 8.27 0.28 0.00 2.72 4.39 -1.96 -1.81 114.58 126.48 1nzc h GLU 16 Ca -0.22 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.42 1nzc h GLU 16 Cb 1.08 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 1nzc h GLU 16 CO 0.67 0.18 -0.19 0.00 -1.16 0.00 0.00 179.01 178.51 1nzc h ALA 17 N 1.59 1.06 -2.98 3.43 0.00 -1.94 -3.38 119.26 117.03 1nzc h ALA 17 Ca 0.40 -0.17 -0.61 0.00 0.00 0.00 0.00 54.91 54.54 1nzc h ALA 17 Cb 0.67 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.03 1nzc h ALA 17 CO -0.49 0.24 -0.75 0.42 0.00 0.00 0.00 179.25 178.67 1nzc s ILE 18 N -3.75 1.24 0.31 0.00 1.01 -0.68 -4.74 121.20 114.59 1nzc s ILE 18 Ca -0.00 -2.33 -0.29 0.00 0.00 0.00 0.00 60.65 58.04 1nzc s ILE 18 Cb 0.11 -1.88 -0.13 0.00 0.01 0.00 0.00 42.46 40.57 1nzc s ILE 18 CO 0.62 -0.87 1.22 -2.65 0.00 0.00 0.00 174.94 173.25 1nzc n PRO 19 N 3.76 1.86 0.00 2.79 -0.02 -1.26 -2.54 135.00 139.59 1nzc n PRO 19 Ca 0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1nzc n PRO 19 Cb 0.36 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 1.12 3.23 3.79 -1.23 0.00 -1.26 -4.91 105.19 105.92 1nzc n GLY 20 Ca 0.07 0.00 -0.35 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 -0.53 3.86 -0.00 1.61 0.00 -1.05 -4.49 119.30 118.70 1nzc s MET 21 Ca 0.00 1.49 0.01 0.00 0.00 0.00 0.00 55.69 57.19 1nzc s MET 21 Cb 0.00 -2.26 -0.00 0.00 0.00 0.00 0.00 34.83 32.56 1nzc s MET 21 CO 0.00 -0.40 -0.05 -0.51 0.00 0.00 0.00 175.02 174.07 1nzc s LEU 22 N -3.19 1.99 -0.15 4.11 1.43 -0.95 -3.49 118.68 118.43 1nzc s LEU 22 Ca 0.64 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1nzc s LEU 22 Cb -0.20 -0.24 -0.02 0.00 0.03 0.00 0.00 46.19 45.76 1nzc s LEU 22 CO 0.25 0.05 -0.08 -0.70 0.23 0.00 0.00 176.35 176.10 1nzc s GLU 23 N -0.08 3.50 -0.03 1.70 2.12 -0.27 -0.64 118.70 125.01 1nzc s GLU 23 Ca 0.01 -0.61 0.03 0.00 0.36 0.00 0.00 54.97 54.76 1nzc s GLU 23 Cb -0.02 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 1nzc s GLU 23 CO -0.00 0.16 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.73 1nzc s PHE 24 N 0.52 2.85 -0.18 5.30 0.40 0.20 -0.45 117.98 126.62 1nzc s PHE 24 Ca -0.06 -0.05 -0.17 0.00 -0.60 0.00 0.00 56.93 56.05 1nzc s PHE 24 Cb -0.15 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.71 1nzc s PHE 24 CO 0.03 0.32 0.43 -0.51 0.70 0.00 0.00 175.22 176.20 1nzc s ASP 25 N -1.10 6.51 -0.16 1.36 1.01 -0.49 -1.80 116.67 122.00 1nzc s ASP 25 Ca 0.14 0.61 -0.05 0.00 0.71 0.00 0.00 52.55 53.97 1nzc s ASP 25 Cb -0.11 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 1nzc s ASP 25 CO 0.04 -0.07 -0.00 -0.63 0.21 0.00 0.00 175.17 174.72 1nzc s ILE 26 N 1.17 4.19 -0.01 0.77 -1.09 -0.10 -2.74 121.20 123.40 1nzc s ILE 26 Ca 0.21 -0.25 -0.30 0.00 -2.23 0.00 0.00 60.65 58.08 1nzc s ILE 26 Cb -0.15 -2.85 -0.07 0.00 -1.58 0.00 0.00 42.46 37.81 1nzc s ILE 26 CO 0.08 0.48 1.76 -2.84 -1.23 0.00 0.00 174.94 173.20 1nzc s PRO 27 N 0.35 4.17 -0.19 2.79 0.02 -1.25 -4.59 135.00 136.30 1nzc s PRO 27 Ca -0.02 2.35 -0.00 0.00 0.02 0.00 0.00 61.00 63.35 1nzc s PRO 27 Cb -0.14 -3.99 0.01 0.00 0.02 0.00 0.00 34.50 30.40 1nzc s PRO 27 CO 0.02 -0.87 -0.15 0.08 -0.33 0.00 0.00 177.00 175.75 1nzc s VAL 28 N 4.00 2.49 -0.37 3.83 1.01 -1.26 -4.29 120.40 125.81 1nzc s VAL 28 Ca 0.79 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1nzc s VAL 28 Cb -0.37 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1nzc s VAL 28 CO 0.34 0.50 0.24 -1.00 0.00 0.00 0.00 175.10 175.18 1nzc s HIS 29 N 1.28 3.23 0.09 5.22 3.76 -0.26 -1.95 115.29 126.66 1nzc s HIS 29 Ca 0.04 -0.61 -0.08 0.00 -0.15 0.00 0.00 55.06 54.26 1nzc s HIS 29 Cb -0.14 -2.48 -0.06 0.00 1.11 0.00 0.00 32.58 31.01 1nzc s HIS 29 CO -0.09 -0.53 0.37 0.20 -0.85 0.00 0.00 174.74 173.84 1nzc s GLY 30 N 1.64 2.29 0.00 -2.22 0.00 -1.26 -1.53 107.32 106.23 1nzc s GLY 30 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.29 1nzc s GLY 30 CO 0.09 -0.31 0.00 2.09 0.00 0.00 0.00 173.10 174.97 1nzc n ASP 31 N 0.64 0.00 0.32 1.64 5.68 -0.64 -5.00 116.55 119.18 1nzc n ASP 31 Ca -0.06 -0.55 0.19 0.00 -0.50 0.00 0.00 54.79 53.87 1nzc n ASP 31 Cb 0.52 0.00 1.07 0.00 -1.14 0.00 0.00 41.12 41.57 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 0.00 0.85 -1.12 -1.07 -2.04 -2.66 115.58 109.54 1nzc h ASN 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1nzc h ASN 32 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1nzc h ASN 32 CO 0.00 0.01 -0.77 0.03 0.07 0.00 0.00 177.43 176.76 1nzc h ARG 33 N 0.00 0.00 0.00 4.14 3.08 -2.00 -3.50 114.38 116.10 1nzc h ARG 33 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nzc h ARG 33 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1nzc h ARG 33 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1nzc n GLY 34 N 1.30 0.54 3.69 0.04 0.00 -1.01 -5.11 105.19 104.64 1nzc n GLY 34 Ca 0.02 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 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 0.18 -0.05 1.61 1.48 -1.26 -1.63 118.94 119.27 1nzc s TRP 35 Ca 0.00 -0.58 -0.04 0.00 -1.06 0.00 0.00 56.10 54.42 1nzc s TRP 35 Cb 0.00 0.38 0.02 0.00 -1.16 0.00 0.00 33.47 32.71 1nzc s TRP 35 CO 0.00 -1.10 0.13 0.12 -4.06 0.00 0.00 176.95 172.03 1nzc s PHE 36 N -3.90 -0.14 0.02 1.66 5.36 -0.59 -4.98 117.98 115.41 1nzc s PHE 36 Ca 0.18 0.36 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 1nzc s PHE 36 Cb -0.03 0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.66 1nzc s PHE 36 CO 0.09 -0.09 -0.03 -1.59 -1.46 0.00 0.00 175.22 172.14 1nzc s LYS 37 N 0.30 0.27 -0.93 10.12 -2.85 -1.26 -1.11 119.74 124.28 1nzc s LYS 37 Ca -0.02 -0.46 -0.24 0.00 -1.00 0.00 0.00 55.97 54.25 1nzc s LYS 37 Cb -0.03 0.00 0.03 0.00 -2.06 0.00 0.00 37.83 35.77 1nzc s LYS 37 CO -0.01 -0.02 1.49 -1.21 0.10 0.00 0.00 175.35 175.71 1nzc s GLU 38 N -1.06 3.34 0.18 1.78 2.02 -1.26 -4.88 118.70 118.81 1nzc s GLU 38 Ca -0.10 -0.76 -0.11 0.00 0.02 0.00 0.00 54.97 54.01 1nzc s GLU 38 Cb -0.07 -5.04 0.08 0.00 0.10 0.00 0.00 34.13 29.20 1nzc s GLU 38 CO -0.01 -2.36 1.71 -0.97 0.02 0.00 0.00 175.26 173.65 1nzc h ASN 39 N 10.24 0.89 -3.62 -0.19 -1.24 -1.96 -3.43 115.58 116.28 1nzc h ASN 39 Ca 0.07 -0.20 -0.29 0.00 0.71 0.00 0.00 56.30 56.59 1nzc h ASN 39 Cb 1.02 -0.23 -0.32 0.00 0.73 0.00 0.00 38.32 39.53 1nzc h ASN 39 CO 1.36 0.86 -0.73 0.12 -1.29 0.00 0.00 177.43 177.75 1nzc s PHE 40 N -5.42 0.12 -0.26 0.67 5.36 -1.26 -5.03 117.98 112.15 1nzc s PHE 40 Ca -0.13 0.04 -0.03 0.00 -0.96 0.00 0.00 56.93 55.86 1nzc s PHE 40 Cb 0.13 -0.20 0.10 0.00 -0.34 0.00 0.00 43.02 42.71 1nzc s PHE 40 CO 0.81 -0.06 0.19 -1.14 -1.46 0.00 0.00 175.22 173.55 1nzc s GLN 41 N 0.61 0.21 0.19 10.12 -0.44 -1.26 -5.04 119.66 124.05 1nzc s GLN 41 Ca -0.05 -0.26 -0.12 0.00 -2.50 0.00 0.00 55.36 52.43 1nzc s GLN 41 Cb -0.08 -1.11 0.15 0.00 -1.64 0.00 0.00 33.01 30.33 1nzc s GLN 41 CO -0.02 -0.93 1.81 -0.22 0.50 0.00 0.00 175.29 176.44 1nzc h LYS 42 N 8.35 0.63 -0.45 1.67 3.64 -2.00 -0.38 116.57 128.04 1nzc h LYS 42 Ca -0.17 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.11 1nzc h LYS 42 Cb 1.07 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1nzc h LYS 42 CO 0.37 0.41 0.01 1.49 -2.27 0.00 0.00 179.45 179.47 1nzc h GLU 43 N 0.65 0.72 0.00 1.90 4.81 -2.01 -1.13 114.58 119.51 1nzc h GLU 43 Ca 0.24 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1nzc h GLU 43 Cb 0.08 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1nzc h GLU 43 CO -0.13 0.72 -0.53 0.87 -0.73 0.00 0.00 179.01 179.22 1nzc h LYS 44 N 0.68 0.00 0.00 1.92 1.57 -1.87 -3.38 116.57 115.49 1nzc h LYS 44 Ca 0.14 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.57 1nzc h LYS 44 Cb 0.40 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 1nzc h LYS 44 CO 0.01 0.17 -2.19 -1.33 -0.57 0.00 0.00 179.45 175.55 1nzc n MET 45 N -3.02 0.67 -0.21 3.15 2.81 -0.20 -4.23 117.12 116.09 1nzc n MET 45 Ca 0.01 0.10 -0.01 0.00 -1.81 0.00 0.00 57.70 55.99 1nzc n MET 45 Cb 0.63 -1.61 0.10 0.00 -0.71 0.00 0.00 33.22 31.63 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 0.42 -2.59 4.03 3.38 -1.39 -1.76 115.31 117.40 1nzc h LEU 46 Ca -0.47 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.56 1nzc h LEU 46 Cb 2.15 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.88 1nzc h LEU 46 CO 0.04 0.26 0.05 -0.65 0.09 0.00 0.00 178.44 178.23 1nzc h PRO 47 N 0.56 0.00 -0.35 1.13 0.11 -1.76 -1.76 132.00 129.92 1nzc h PRO 47 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1nzc h PRO 47 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1nzc h PRO 47 CO -0.23 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.84 1nzc n LEU 48 N -3.51 2.46 0.00 2.35 4.77 -0.69 -4.92 117.00 117.46 1nzc n LEU 48 Ca -0.02 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 1nzc n LEU 48 Cb 0.13 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1nzc n LEU 48 CO 0.24 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1nzc n GLY 49 N 1.27 0.77 3.68 -0.72 0.00 -0.66 -4.73 105.19 104.80 1nzc n GLY 49 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.61 2.54 -2.22 1.61 7.35 -1.06 -4.85 117.46 119.22 1nzc n PHE 50 Ca 0.00 -0.18 -0.42 0.00 -0.76 0.00 0.00 57.45 56.09 1nzc n PHE 50 Cb 0.00 -2.74 -0.03 0.00 0.35 0.00 0.00 39.48 37.06 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 3.32 4.35 0.58 -7.13 0.04 -1.26 -4.54 135.00 130.36 1nzc s PRO 51 Ca 0.85 2.02 0.31 0.00 0.04 0.00 0.00 61.00 64.22 1nzc s PRO 51 Cb -0.50 -3.25 1.80 0.00 0.04 0.00 0.00 34.50 32.58 1nzc s PRO 51 CO 0.40 -0.37 2.22 0.93 0.04 0.00 0.00 177.00 180.23 1nzc h GLU 52 N 6.48 0.00 0.00 4.56 5.08 -1.95 -1.93 114.58 126.82 1nzc h GLU 52 Ca -0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1nzc h GLU 52 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1nzc h GLU 52 CO 0.84 0.03 -0.03 0.66 -1.00 0.00 0.00 179.01 179.51 1nzc h SER 53 N 0.00 0.00 -0.82 1.42 4.64 -2.00 -1.07 113.55 115.72 1nzc h SER 53 Ca -0.00 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 1nzc h SER 53 Cb 0.11 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.14 1nzc h SER 53 CO 0.00 0.03 0.54 0.15 -0.87 0.00 0.00 176.83 176.68 1nzc h PHE 54 N 0.00 0.63 -0.02 4.77 3.57 -1.74 -2.79 116.94 121.36 1nzc h PHE 54 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1nzc h PHE 54 Cb 0.12 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1nzc h PHE 54 CO 0.00 0.24 -0.39 1.19 -2.23 0.00 0.00 178.31 177.11 1nzc n PHE 55 N -4.51 0.00 -0.28 0.41 3.01 -0.42 -4.66 117.46 111.01 1nzc n PHE 55 Ca 0.16 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.70 1nzc n PHE 55 Cb 0.51 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 40.30 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 3.90 1.70 -0.02 4.37 0.00 -1.37 -1.74 119.26 126.11 1nzc h ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nzc h ALA 56 Cb 0.77 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1nzc h ALA 56 CO 0.00 0.10 -0.18 0.39 0.00 0.00 0.00 179.25 179.56 1nzc n GLU 57 N -4.54 1.43 -1.46 0.00 1.02 -1.26 -4.95 120.64 110.88 1nzc n GLU 57 Ca 0.16 -1.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.20 1nzc n GLU 57 Cb 0.36 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 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 1.31 0.88 3.93 0.62 0.00 -0.65 -5.01 105.19 106.26 1nzc n GLY 58 Ca 0.14 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.15 3.44 -0.28 1.61 1.02 -1.26 -5.10 119.74 116.02 1nzc s LYS 59 Ca 0.00 -0.48 -0.18 0.00 0.02 0.00 0.00 55.97 55.33 1nzc s LYS 59 Cb 0.00 -3.02 0.10 0.00 -0.52 0.00 0.00 37.83 34.39 1nzc s LYS 59 CO 0.00 0.58 0.78 -1.17 -0.92 0.00 0.00 175.35 174.63 1nzc s LEU 60 N -2.71 -0.79 -0.02 3.17 2.96 -1.26 -4.67 118.68 115.35 1nzc s LEU 60 Ca 0.35 1.30 -0.02 0.00 -0.22 0.00 0.00 54.13 55.55 1nzc s LEU 60 Cb -0.12 2.22 0.01 0.00 0.50 0.00 0.00 46.19 48.80 1nzc s LEU 60 CO 0.28 -0.21 0.06 -1.58 -1.32 0.00 0.00 176.35 173.58 1nzc s GLN 61 N 1.30 0.05 -0.24 1.98 0.74 -0.79 -5.01 119.66 117.69 1nzc s GLN 61 Ca -0.08 0.12 -0.02 0.00 0.05 0.00 0.00 55.36 55.44 1nzc s GLN 61 Cb -0.05 -0.04 0.02 0.00 1.10 0.00 0.00 33.01 34.04 1nzc s GLN 61 CO -0.15 -0.05 -0.07 1.21 -0.55 0.00 0.00 175.29 175.68 1nzc s ASN 62 N 0.31 4.21 0.12 6.67 2.47 -1.26 -0.89 114.94 126.57 1nzc s ASN 62 Ca -0.02 -0.72 0.03 0.00 0.42 0.00 0.00 52.86 52.56 1nzc s ASN 62 Cb -0.04 -1.67 -0.04 0.00 -1.45 0.00 0.00 41.25 38.06 1nzc s ASN 62 CO -0.01 -0.09 0.17 0.20 -3.72 0.00 0.00 177.10 173.65 1nzc s ASN 63 N 1.37 5.87 -0.03 -4.21 0.02 -0.18 -4.97 114.94 112.81 1nzc s ASN 63 Ca 0.02 0.05 0.01 0.00 -1.02 0.00 0.00 52.86 51.92 1nzc s ASN 63 Cb -0.16 -1.66 0.02 0.00 0.02 0.00 0.00 41.25 39.48 1nzc s ASN 63 CO -0.05 0.11 -0.02 -0.69 0.02 0.00 0.00 177.10 176.48 1nzc s VAL 64 N -1.61 0.28 -0.02 1.60 1.01 -1.26 -0.98 120.40 119.42 1nzc s VAL 64 Ca 0.32 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.36 1nzc s VAL 64 Cb -0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 1nzc s VAL 64 CO 0.25 0.15 -0.23 -0.94 0.00 0.00 0.00 175.10 174.33 1nzc s SER 65 N 0.79 2.77 -0.17 3.32 1.04 -0.35 -4.98 113.70 116.13 1nzc s SER 65 Ca -0.09 -0.43 -0.04 0.00 0.48 0.00 0.00 55.95 55.87 1nzc s SER 65 Cb -0.12 -0.39 -0.03 0.00 0.10 0.00 0.00 66.02 65.58 1nzc s SER 65 CO -0.01 0.28 -0.03 0.12 0.98 0.00 0.00 173.24 174.58 1nzc s PHE 66 N -0.47 3.02 0.03 5.02 5.36 -1.26 -0.53 117.98 129.15 1nzc s PHE 66 Ca 0.07 -0.38 0.02 0.00 -0.96 0.00 0.00 56.93 55.67 1nzc s PHE 66 Cb -0.10 -2.00 -0.02 0.00 -0.34 0.00 0.00 43.02 40.56 1nzc s PHE 66 CO -0.00 -0.13 -0.07 -1.12 -1.46 0.00 0.00 175.22 172.45 1nzc s SER 67 N 0.60 0.73 0.51 6.13 0.01 -0.59 -4.98 113.70 116.12 1nzc s SER 67 Ca -0.02 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.77 1nzc s SER 67 Cb -0.14 0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.15 1nzc s SER 67 CO 0.02 -0.19 0.72 -0.13 0.41 0.00 0.00 173.24 174.08 1nzc s ARG 68 N -1.39 2.66 0.56 12.44 0.52 -1.26 -1.05 118.95 131.42 1nzc s ARG 68 Ca -0.09 -0.82 -0.21 0.00 -0.52 0.00 0.00 55.73 54.09 1nzc s ARG 68 Cb -0.09 -2.54 -0.05 0.00 0.52 0.00 0.00 34.95 32.79 1nzc s ARG 68 CO 0.00 -0.58 1.30 1.17 0.02 0.00 0.00 175.30 177.21 1nzc n LYS 69 N -2.22 1.52 -0.67 3.54 4.81 -0.21 -2.22 118.16 122.69 1nzc n LYS 69 Ca 0.07 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1nzc n LYS 69 Cb 0.59 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 33.13 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 -1.06 0.00 -4.73 3.14 3.02 -1.07 -4.88 115.26 109.69 1nzc n ASN 70 Ca 0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 1nzc n ASN 70 Cb 0.45 -1.05 -0.03 0.00 -0.61 0.00 0.00 39.78 38.54 1nzc n ASN 70 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nzc s VAL 71 N -2.59 2.86 -0.12 2.41 1.01 -0.94 -0.77 120.40 122.24 1nzc s VAL 71 Ca 0.00 0.66 0.01 0.00 0.00 0.00 0.00 61.98 62.65 1nzc s VAL 71 Cb 0.00 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1nzc s VAL 71 CO 0.00 0.07 -0.16 -0.22 0.00 0.00 0.00 175.10 174.80 1nzc s LEU 72 N 0.50 1.75 -0.10 3.92 0.20 -0.84 -1.12 118.68 122.99 1nzc s LEU 72 Ca 0.64 -0.46 0.04 0.00 0.69 0.00 0.00 54.13 55.04 1nzc s LEU 72 Cb -0.41 -1.15 -0.00 0.00 -0.43 0.00 0.00 46.19 44.21 1nzc s LEU 72 CO 0.36 0.00 -0.24 -0.13 -0.29 0.00 0.00 176.35 176.05 1nzc s ARG 73 N 1.11 3.01 0.00 1.98 0.52 -0.45 -4.46 118.95 120.65 1nzc s ARG 73 Ca -0.04 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 1nzc s ARG 73 Cb -0.14 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.03 1nzc s ARG 73 CO -0.04 0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.89 1nzc n GLY 74 N 3.45 0.20 2.73 -3.53 0.00 -1.26 -1.41 105.19 105.37 1nzc n GLY 74 Ca -0.19 -1.49 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.47 -4.17 0.99 4.77 -1.15 -4.37 117.00 111.60 1nzc n LEU 75 Ca 0.00 -0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 55.45 1nzc n LEU 75 Cb 0.00 -1.00 -0.17 0.00 -2.33 0.00 0.00 43.42 39.92 1nzc n LEU 75 CO 0.00 0.06 -0.55 -1.00 -1.33 0.00 0.00 177.39 174.57 1nzc s HIS 76 N -1.25 2.65 -0.82 -1.77 3.76 -0.70 -1.81 115.29 115.36 1nzc s HIS 76 Ca 0.20 -1.31 -0.10 0.00 -0.15 0.00 0.00 55.06 53.69 1nzc s HIS 76 Cb -0.02 -1.80 0.21 0.00 1.11 0.00 0.00 32.58 32.08 1nzc s HIS 76 CO 0.56 -0.59 0.73 0.00 -0.85 0.00 0.00 174.74 174.59 1nzc s ALA 77 N 0.77 4.05 0.48 -1.40 0.00 0.07 -0.48 121.76 125.25 1nzc s ALA 77 Ca -0.08 -3.40 -0.15 0.00 0.00 0.00 0.00 51.96 48.33 1nzc s ALA 77 Cb -0.16 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.60 1nzc s ALA 77 CO -0.01 -2.23 0.93 -1.21 0.00 0.00 0.00 175.76 173.24 1nzc s GLU 78 N -0.13 3.91 -0.19 0.00 2.02 -1.26 -2.31 118.70 120.73 1nzc s GLU 78 Ca 0.20 0.83 -0.06 0.00 0.02 0.00 0.00 54.97 55.96 1nzc s GLU 78 Cb -0.12 -2.20 -0.21 0.00 0.10 0.00 0.00 34.13 31.70 1nzc s GLU 78 CO -0.08 -0.21 3.07 -0.35 0.02 0.00 0.00 175.26 177.71 1nzc n PRO 79 N -1.49 1.88 -3.53 0.39 -0.04 -1.26 -4.43 135.00 126.52 1nzc n PRO 79 Ca 0.05 -0.99 -0.07 0.00 -0.04 0.00 0.00 63.50 62.45 1nzc n PRO 79 Cb 0.54 -2.02 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 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 1.50 -0.29 0.56 0.54 -2.14 -1.26 -4.90 118.94 112.94 1nzc s TRP 80 Ca 0.57 0.21 -0.15 0.00 2.66 0.00 0.00 56.10 59.38 1nzc s TRP 80 Cb 0.25 0.52 -0.06 0.00 -3.10 0.00 0.00 33.47 31.09 1nzc s TRP 80 CO -0.01 -0.43 1.01 -0.51 -2.66 0.00 0.00 176.95 174.35 1nzc s ASP 81 N -2.29 6.36 -0.01 -2.66 1.01 -1.26 -3.99 116.67 113.83 1nzc s ASP 81 Ca 0.06 1.57 0.02 0.00 0.71 0.00 0.00 52.55 54.91 1nzc s ASP 81 Cb -0.01 -2.50 -0.00 0.00 1.01 0.00 0.00 42.92 41.42 1nzc s ASP 81 CO -0.07 -0.77 -0.08 -0.54 0.21 0.00 0.00 175.17 173.93 1nzc s LYS 82 N -4.35 0.70 -0.26 8.23 1.02 -0.63 -3.40 119.74 121.05 1nzc s LYS 82 Ca 0.59 -0.26 0.02 0.00 0.02 0.00 0.00 55.97 56.33 1nzc s LYS 82 Cb -0.11 -0.68 0.05 0.00 -0.52 0.00 0.00 37.83 36.57 1nzc s LYS 82 CO 0.38 0.13 -0.10 -0.47 -0.92 0.00 0.00 175.35 174.37 1nzc s TYR 83 N 0.01 3.20 -0.03 3.18 5.04 0.00 -0.72 117.35 128.03 1nzc s TYR 83 Ca 0.00 -2.13 0.03 0.00 -2.44 0.00 0.00 57.07 52.54 1nzc s TYR 83 Cb -0.05 -1.97 -0.03 0.00 0.35 0.00 0.00 41.96 40.26 1nzc s TYR 83 CO -0.00 -0.85 -0.11 0.42 -1.34 0.00 0.00 175.55 173.67 1nzc s ILE 84 N 1.16 3.34 0.34 3.14 1.01 0.02 -0.89 121.20 129.32 1nzc s ILE 84 Ca -0.06 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 59.70 1nzc s ILE 84 Cb -0.19 -2.37 0.06 0.00 0.01 0.00 0.00 42.46 39.97 1nzc s ILE 84 CO -0.05 0.52 0.83 -0.55 0.00 0.00 0.00 174.94 175.69 1nzc s SER 85 N -0.98 -0.03 -0.11 3.58 0.15 -0.85 -1.39 113.70 114.08 1nzc s SER 85 Ca 0.13 -1.00 -0.01 0.00 0.70 0.00 0.00 55.95 55.77 1nzc s SER 85 Cb -0.11 0.78 -0.03 0.00 -1.71 0.00 0.00 66.02 64.95 1nzc s SER 85 CO 0.03 -1.53 -0.07 -0.69 1.20 0.00 0.00 173.24 172.18 1nzc s VAL 86 N -2.46 3.68 -0.82 4.45 1.01 -1.26 -1.26 120.40 123.74 1nzc s VAL 86 Ca 0.16 -0.46 0.21 0.00 0.00 0.00 0.00 61.98 61.89 1nzc s VAL 86 Cb -0.05 -2.55 -0.25 0.00 0.00 0.00 0.00 36.38 33.54 1nzc s VAL 86 CO 0.10 0.55 0.81 0.00 0.00 0.00 0.00 175.10 176.56 1nzc n ALA 87 N 2.89 4.38 -3.00 5.51 0.00 0.47 -4.18 120.51 126.59 1nzc n ALA 87 Ca -0.18 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1nzc n ALA 87 Cb 0.53 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.63 1.64 -0.49 0.00 5.75 -1.26 -5.00 116.55 115.56 1nzc n ASP 88 Ca 0.03 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.84 1nzc n ASP 88 Cb 0.37 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.57 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 4.40 0.28 3.96 6.12 0.00 -1.26 -4.46 105.19 114.22 1nzc n GLY 89 Ca 0.00 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.96 1.80 -0.01 -0.02 0.00 -1.26 -4.98 107.32 101.90 1nzc s GLY 90 Ca 0.17 -1.46 -0.12 0.00 0.00 0.00 0.00 44.72 43.30 1nzc s GLY 90 CO 0.11 -0.69 0.26 0.54 0.00 0.00 0.00 173.10 173.31 1nzc s LYS 91 N -5.74 0.62 0.10 2.90 1.02 -1.26 -4.39 119.74 113.00 1nzc s LYS 91 Ca 0.74 -0.28 0.04 0.00 0.02 0.00 0.00 55.97 56.50 1nzc s LYS 91 Cb -0.03 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.51 1nzc s LYS 91 CO 0.51 -0.17 -0.11 0.14 -0.92 0.00 0.00 175.35 174.80 1nzc s VAL 92 N -1.42 1.07 -0.48 3.17 -7.23 -0.76 -1.37 120.40 113.38 1nzc s VAL 92 Ca -0.13 -1.66 -0.23 0.00 -1.81 0.00 0.00 61.98 58.15 1nzc s VAL 92 Cb -0.06 -1.41 0.03 0.00 0.56 0.00 0.00 36.38 35.51 1nzc s VAL 92 CO 0.03 -0.50 0.79 -0.22 -0.31 0.00 0.00 175.10 174.89 1nzc s LEU 93 N -2.43 4.33 0.24 1.32 2.96 0.26 -0.95 118.68 124.41 1nzc s LEU 93 Ca 0.06 -0.30 -0.24 0.00 -0.22 0.00 0.00 54.13 53.43 1nzc s LEU 93 Cb -0.04 -2.84 -0.09 0.00 0.50 0.00 0.00 46.19 43.72 1nzc s LEU 93 CO 0.01 -0.98 0.83 -0.83 -1.32 0.00 0.00 176.35 174.06 1nzc s GLY 94 N 2.38 2.81 -0.04 7.98 0.00 0.24 -1.58 107.32 119.12 1nzc s GLY 94 Ca 0.27 0.38 -0.02 0.00 0.00 0.00 0.00 44.72 45.36 1nzc s GLY 94 CO 0.20 0.83 0.08 -1.59 0.00 0.00 0.00 173.10 172.62 1nzc s THR 95 N -1.42 -0.03 0.00 0.90 2.01 -0.47 -1.63 115.64 115.01 1nzc s THR 95 Ca 0.43 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.56 1nzc s THR 95 Cb -0.20 -0.14 -0.01 0.00 0.01 0.00 0.00 72.50 72.16 1nzc s THR 95 CO 0.24 0.04 -0.05 0.26 -0.69 0.00 0.00 174.62 174.43 1nzc s TRP 96 N 0.64 0.44 -0.08 4.92 0.51 -0.27 -1.30 118.94 123.80 1nzc s TRP 96 Ca -0.05 -0.16 -0.01 0.00 -2.12 0.00 0.00 56.10 53.76 1nzc s TRP 96 Cb -0.07 -0.28 0.03 0.00 -0.81 0.00 0.00 33.47 32.34 1nzc s TRP 96 CO -0.02 -0.02 0.00 0.08 -0.51 0.00 0.00 176.95 176.47 1nzc s VAL 97 N -0.35 0.40 -0.10 4.03 1.01 -0.88 -1.90 120.40 122.62 1nzc s VAL 97 Ca -0.01 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 1nzc s VAL 97 Cb -0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1nzc s VAL 97 CO -0.00 0.22 1.41 -0.62 0.00 0.00 0.00 175.10 176.11 1nzc s ASP 98 N 1.96 6.84 -0.07 3.32 -1.08 0.16 -0.81 116.67 126.99 1nzc s ASP 98 Ca 0.05 1.95 0.15 0.00 -0.52 0.00 0.00 52.55 54.17 1nzc s ASP 98 Cb -0.13 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.27 1nzc s ASP 98 CO -0.06 -0.80 1.40 0.18 0.52 0.00 0.00 175.17 176.42 1nzc n LEU 99 N 6.51 3.67 -4.75 -1.34 4.77 -0.32 -0.47 117.00 125.06 1nzc n LEU 99 Ca 0.15 -2.38 -0.40 0.00 -0.03 0.00 0.00 56.01 53.35 1nzc n LEU 99 Cb 0.44 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1nzc n LEU 99 CO 0.58 0.75 0.68 -0.13 -1.33 0.00 0.00 177.39 177.94 1nzc s ARG 100 N -1.69 4.80 0.18 3.23 0.52 -1.20 -1.05 118.95 123.75 1nzc s ARG 100 Ca 0.36 1.55 -0.33 0.00 -0.52 0.00 0.00 55.73 56.79 1nzc s ARG 100 Cb 0.24 -3.27 -0.13 0.00 0.52 0.00 0.00 34.95 32.31 1nzc s ARG 100 CO 0.17 0.43 1.68 -1.91 0.02 0.00 0.00 175.30 175.69 1nzc n GLU 101 N 1.57 2.55 -0.12 3.54 2.13 0.99 -3.71 120.64 127.59 1nzc n GLU 101 Ca -0.01 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1nzc n GLU 101 Cb 0.47 -2.74 0.00 0.00 0.27 0.00 0.00 31.44 29.43 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 3.80 0.93 0.00 8.31 0.00 -1.26 -4.90 105.19 112.08 1nzc n GLY 102 Ca 0.17 -1.88 0.10 0.00 0.00 0.00 0.00 46.02 44.40 1nzc n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nzc n GLU 103 N 0.00 0.00 -0.20 1.61 -0.58 -1.26 -2.66 120.64 117.56 1nzc n GLU 103 Ca 0.00 0.16 0.07 0.00 -0.42 0.00 0.00 57.16 56.97 1nzc n GLU 103 Cb 0.00 -1.51 0.18 0.00 -0.57 0.00 0.00 31.44 29.54 1nzc n GLU 103 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1nzc n THR 104 N -1.52 0.87 -1.67 2.62 -2.24 -1.26 -4.98 114.28 106.10 1nzc n THR 104 Ca 0.05 -0.93 -0.47 0.00 -2.27 0.00 0.00 64.05 60.43 1nzc n THR 104 Cb 0.23 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 1nzc n THR 104 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1nzc n PHE 105 N 0.82 2.27 -0.27 4.78 7.35 -1.09 -1.24 117.46 130.08 1nzc n PHE 105 Ca 0.14 0.23 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 1nzc n PHE 105 Cb 0.46 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.73 1nzc n PHE 105 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1nzc n GLY 106 N 3.57 1.63 3.75 7.13 0.00 0.38 -5.01 105.19 116.64 1nzc n GLY 106 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.25 5.06 0.20 1.61 -0.87 -0.37 -4.69 114.94 112.63 1nzc s ASN 107 Ca 0.00 2.53 0.04 0.00 -1.57 0.00 0.00 52.86 53.86 1nzc s ASN 107 Cb 0.00 -2.61 -0.05 0.00 -0.02 0.00 0.00 41.25 38.57 1nzc s ASN 107 CO 0.00 -1.69 -0.03 0.42 -2.57 0.00 0.00 177.10 173.23 1nzc s THR 108 N -1.47 1.01 -0.09 1.60 -4.23 -1.26 -0.67 115.64 110.53 1nzc s THR 108 Ca 0.77 -2.03 -0.18 0.00 -1.18 0.00 0.00 61.69 59.07 1nzc s THR 108 Cb -0.35 -2.15 0.04 0.00 1.34 0.00 0.00 72.50 71.38 1nzc s THR 108 CO 0.38 -0.48 0.44 -0.47 -0.54 0.00 0.00 174.62 173.95 1nzc s TYR 109 N -3.43 -0.41 0.01 3.99 5.04 -0.80 -4.84 117.35 116.90 1nzc s TYR 109 Ca 0.24 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 1nzc s TYR 109 Cb 0.05 0.19 -0.01 0.00 0.35 0.00 0.00 41.96 42.53 1nzc s TYR 109 CO 0.05 -0.36 -0.02 -0.65 -1.34 0.00 0.00 175.55 173.24 1nzc s GLN 110 N -0.57 0.15 0.09 4.97 -0.21 -1.26 -1.11 119.66 121.71 1nzc s GLN 110 Ca -0.07 -0.29 -0.26 0.00 0.02 0.00 0.00 55.36 54.77 1nzc s GLN 110 Cb -0.03 0.04 0.07 0.00 1.00 0.00 0.00 33.01 34.08 1nzc s GLN 110 CO 0.04 -0.02 0.63 -0.08 -2.12 0.00 0.00 175.29 173.74 1nzc s THR 111 N -0.68 0.00 0.03 -0.19 -1.32 -0.64 -4.99 115.64 107.85 1nzc s THR 111 Ca -0.07 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.11 1nzc s THR 111 Cb -0.05 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 1nzc s THR 111 CO -0.00 0.00 0.99 -0.69 -2.21 0.00 0.00 174.62 172.71 1nzc s VAL 112 N -2.90 4.71 -0.19 5.08 1.01 -1.26 -0.59 120.40 126.26 1nzc s VAL 112 Ca -0.03 2.01 -0.02 0.00 0.00 0.00 0.00 61.98 63.94 1nzc s VAL 112 Cb -0.01 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1nzc s VAL 112 CO -0.05 0.20 -0.09 -0.63 0.00 0.00 0.00 175.10 174.52 1nzc s ILE 113 N 0.75 3.11 0.12 2.22 1.01 -0.13 -4.92 121.20 123.37 1nzc s ILE 113 Ca 0.51 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1nzc s ILE 113 Cb -0.22 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 39.88 1nzc s ILE 113 CO 0.29 0.47 0.02 -0.90 0.00 0.00 0.00 174.94 174.82 1nzc n ASP 114 N 4.36 1.73 0.21 3.58 5.68 -1.26 -1.82 116.55 129.03 1nzc n ASP 114 Ca -0.19 -1.57 0.15 0.00 -0.50 0.00 0.00 54.79 52.68 1nzc n ASP 114 Cb 0.51 0.17 0.73 0.00 -1.14 0.00 0.00 41.12 41.40 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 1.12 1.00 -0.18 2.12 0.00 -1.77 -1.61 119.26 119.95 1nzc h ALA 115 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nzc h ALA 115 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1nzc h ALA 115 CO 0.16 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 1nzc n SER 116 N -2.54 1.56 -4.05 0.00 3.41 -1.26 -4.81 113.62 105.93 1nzc n SER 116 Ca -0.01 -1.73 -0.17 0.00 -0.26 0.00 0.00 58.87 56.71 1nzc n SER 116 Cb 0.11 -0.11 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.77 0.64 0.14 4.33 2.20 -0.61 -0.93 119.74 123.75 1nzc s LYS 117 Ca 0.31 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1nzc s LYS 117 Cb 0.16 -0.57 -0.04 0.00 -1.51 0.00 0.00 37.83 35.87 1nzc s LYS 117 CO 0.24 0.14 0.02 -1.54 -0.36 0.00 0.00 175.35 173.85 1nzc s SER 118 N -0.85 0.79 -0.03 1.43 1.04 -0.74 -4.40 113.70 110.95 1nzc s SER 118 Ca -0.01 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1nzc s SER 118 Cb -0.06 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.28 1nzc s SER 118 CO 0.00 -0.63 0.01 -0.63 0.98 0.00 0.00 173.24 172.97 1nzc s ILE 119 N -3.83 0.12 -0.24 -1.02 -1.09 -0.49 -0.63 121.20 114.02 1nzc s ILE 119 Ca 0.22 0.10 -0.15 0.00 -2.23 0.00 0.00 60.65 58.60 1nzc s ILE 119 Cb 0.07 -0.22 -0.04 0.00 -1.58 0.00 0.00 42.46 40.69 1nzc s ILE 119 CO 0.02 0.12 0.36 0.12 -1.23 0.00 0.00 174.94 174.33 1nzc s PHE 120 N 0.95 3.30 -0.28 3.97 5.36 0.19 -0.80 117.98 130.67 1nzc s PHE 120 Ca -0.09 0.47 -0.04 0.00 -0.96 0.00 0.00 56.93 56.31 1nzc s PHE 120 Cb -0.13 -2.52 0.03 0.00 -0.34 0.00 0.00 43.02 40.06 1nzc s PHE 120 CO -0.02 -0.12 0.01 0.08 -1.46 0.00 0.00 175.22 173.71 1nzc s VAL 121 N 1.68 3.32 0.51 3.12 1.01 0.10 -2.23 120.40 127.92 1nzc s VAL 121 Ca 0.16 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 1nzc s VAL 121 Cb -0.15 -2.76 -0.07 0.00 0.00 0.00 0.00 36.38 33.40 1nzc s VAL 121 CO 0.09 0.06 1.12 -2.16 0.00 0.00 0.00 175.10 174.21 1nzc s PRO 122 N 1.37 3.52 0.14 2.72 0.04 -1.26 -1.61 135.00 139.93 1nzc s PRO 122 Ca -0.00 1.61 -0.34 0.00 0.04 0.00 0.00 61.00 62.30 1nzc s PRO 122 Cb -0.18 -2.11 -0.16 0.00 0.04 0.00 0.00 34.50 32.09 1nzc s PRO 122 CO -0.01 -0.71 1.22 0.54 0.04 0.00 0.00 177.00 178.08 1nzc n ARG 123 N -1.05 1.15 0.00 4.56 1.74 -1.26 -2.29 116.66 119.51 1nzc n ARG 123 Ca 0.10 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1nzc n ARG 123 Cb 0.50 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1nzc n ARG 123 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nzc n GLY 124 N 2.18 1.17 3.50 -0.13 0.00 -1.26 -4.97 105.19 105.68 1nzc n GLY 124 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.15 4.76 0.20 1.61 1.01 -0.97 -1.18 120.40 123.69 1nzc s VAL 125 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1nzc s VAL 125 Cb 0.00 -3.27 -0.08 0.00 0.00 0.00 0.00 36.38 33.03 1nzc s VAL 125 CO 0.00 0.27 1.23 0.00 0.00 0.00 0.00 175.10 176.60 1nzc s ALA 126 N 1.68 3.47 -0.02 5.51 0.00 0.01 -4.56 121.76 127.84 1nzc s ALA 126 Ca 0.06 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.06 1nzc s ALA 126 Cb -0.16 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1nzc s ALA 126 CO 0.07 -0.43 -0.09 1.21 0.00 0.00 0.00 175.76 176.53 1nzc s ASN 127 N 0.12 4.48 0.19 0.00 2.47 0.37 -2.07 114.94 120.51 1nzc s ASN 127 Ca 0.53 -0.13 -0.23 0.00 0.42 0.00 0.00 52.86 53.45 1nzc s ASN 127 Cb -0.34 -1.04 0.05 0.00 -1.45 0.00 0.00 41.25 38.47 1nzc s ASN 127 CO 0.38 0.32 0.82 -0.83 -3.72 0.00 0.00 177.10 174.07 1nzc s GLY 128 N -1.12 -0.23 0.09 1.21 0.00 -0.42 -1.71 107.32 105.14 1nzc s GLY 128 Ca 0.15 0.05 -0.22 0.00 0.00 0.00 0.00 44.72 44.70 1nzc s GLY 128 CO 0.04 0.01 0.52 -0.11 0.00 0.00 0.00 173.10 173.56 1nzc s PHE 129 N -3.57 -0.42 -0.02 1.90 -0.12 -0.50 -1.37 117.98 113.87 1nzc s PHE 129 Ca 0.10 0.34 0.06 0.00 -0.05 0.00 0.00 56.93 57.39 1nzc s PHE 129 Cb -0.03 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.73 1nzc s PHE 129 CO 0.02 -0.71 -0.22 -1.14 -0.05 0.00 0.00 175.22 173.12 1nzc s GLN 130 N -3.02 1.86 -0.17 1.99 0.74 -0.61 -1.34 119.66 119.10 1nzc s GLN 130 Ca -0.02 -0.78 -0.27 0.00 0.05 0.00 0.00 55.36 54.33 1nzc s GLN 130 Cb -0.00 -1.75 -0.01 0.00 1.10 0.00 0.00 33.01 32.35 1nzc s GLN 130 CO -0.06 0.44 0.94 0.08 -0.55 0.00 0.00 175.29 176.13 1nzc s VAL 131 N -0.43 4.80 -0.18 1.34 1.01 -0.27 -0.57 120.40 126.10 1nzc s VAL 131 Ca 0.06 1.85 0.15 0.00 0.00 0.00 0.00 61.98 64.04 1nzc s VAL 131 Cb -0.09 -4.23 -0.24 0.00 0.00 0.00 0.00 36.38 31.82 1nzc s VAL 131 CO -0.00 -0.04 0.14 0.18 0.00 0.00 0.00 175.10 175.38 1nzc n LEU 132 N 5.49 0.50 0.00 3.92 4.77 -0.47 -2.59 117.00 128.62 1nzc n LEU 132 Ca 0.08 0.06 -0.26 0.00 -0.03 0.00 0.00 56.01 55.85 1nzc n LEU 132 Cb 0.48 0.27 0.16 0.00 -2.33 0.00 0.00 43.42 42.00 1nzc n LEU 132 CO 0.50 0.54 0.73 -1.54 -1.33 0.00 0.00 177.39 176.28 1nzc n SER 133 N -2.86 0.65 0.04 -1.43 3.41 -1.16 -4.93 113.62 107.34 1nzc n SER 133 Ca -0.32 -1.76 -0.03 0.00 -0.26 0.00 0.00 58.87 56.50 1nzc n SER 133 Cb 1.12 -0.84 0.22 0.00 -0.26 0.00 0.00 64.21 64.46 1nzc n SER 133 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1nzc h ASP 134 N -1.22 0.40 -5.16 4.04 5.19 -1.93 -3.34 116.42 114.39 1nzc h ASP 134 Ca -0.38 -0.14 -0.07 0.00 -0.62 0.00 0.00 57.03 55.82 1nzc h ASP 134 Cb 1.19 -0.11 -0.12 0.00 0.18 0.00 0.00 39.33 40.46 1nzc h ASP 134 CO 0.32 0.68 -0.18 -0.36 -3.12 0.00 0.00 179.24 176.58 1nzc s PHE 135 N -4.43 0.10 -0.13 4.55 0.08 -1.26 -1.05 117.98 115.84 1nzc s PHE 135 Ca -0.06 -0.46 -0.20 0.00 0.12 0.00 0.00 56.93 56.34 1nzc s PHE 135 Cb 0.14 0.13 0.05 0.00 -0.57 0.00 0.00 43.02 42.77 1nzc s PHE 135 CO 0.78 -0.74 0.50 0.54 -0.10 0.00 0.00 175.22 176.20 1nzc s VAL 136 N -3.89 0.01 -0.36 -0.44 0.11 -0.22 -4.31 120.40 111.30 1nzc s VAL 136 Ca 0.10 -0.10 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 1nzc s VAL 136 Cb 0.02 -0.75 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 1nzc s VAL 136 CO -0.05 -0.05 0.19 0.00 -3.33 0.00 0.00 175.10 171.86 1nzc s ALA 137 N -0.33 3.29 -0.34 1.54 0.00 -1.26 -1.54 121.76 123.12 1nzc s ALA 137 Ca -0.05 -1.61 -0.06 0.00 0.00 0.00 0.00 51.96 50.24 1nzc s ALA 137 Cb -0.03 -2.54 0.04 0.00 0.00 0.00 0.00 23.12 20.59 1nzc s ALA 137 CO 0.03 -1.23 0.12 -0.47 0.00 0.00 0.00 175.76 174.20 1nzc s TYR 138 N 1.58 3.27 -0.12 0.00 5.04 0.30 -0.39 117.35 127.03 1nzc s TYR 138 Ca 0.03 -1.46 0.03 0.00 -2.44 0.00 0.00 57.07 53.22 1nzc s TYR 138 Cb -0.18 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 39.78 1nzc s TYR 138 CO 0.07 -0.74 -0.21 0.45 -1.34 0.00 0.00 175.55 173.77 1nzc s SER 139 N 1.46 3.27 0.05 4.32 0.15 -0.39 -1.21 113.70 121.35 1nzc s SER 139 Ca -0.01 -0.53 -0.03 0.00 0.70 0.00 0.00 55.95 56.08 1nzc s SER 139 Cb -0.20 -1.46 -0.02 0.00 -1.71 0.00 0.00 66.02 62.63 1nzc s SER 139 CO 0.03 0.13 0.03 -0.72 1.20 0.00 0.00 173.24 173.91 1nzc s TYR 140 N 0.51 0.35 -0.07 3.44 -0.85 -0.15 -2.00 117.35 118.57 1nzc s TYR 140 Ca -0.14 -0.77 -0.01 0.00 -0.52 0.00 0.00 57.07 55.63 1nzc s TYR 140 Cb -0.17 -0.25 -0.03 0.00 0.38 0.00 0.00 41.96 41.89 1nzc s TYR 140 CO 0.05 -0.36 -0.00 -0.51 -1.52 0.00 0.00 175.55 173.21 1nzc s LEU 141 N -2.44 3.54 0.15 -3.49 1.43 -0.07 -1.02 118.68 116.79 1nzc s LEU 141 Ca -0.01 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1nzc s LEU 141 Cb 0.02 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1nzc s LEU 141 CO -0.07 0.36 -0.05 0.68 0.23 0.00 0.00 176.35 177.51 1nzc s VAL 142 N -0.90 0.88 -0.20 -1.59 -7.23 -0.07 -0.82 120.40 110.47 1nzc s VAL 142 Ca 0.14 -2.00 0.13 0.00 -1.81 0.00 0.00 61.98 58.44 1nzc s VAL 142 Cb -0.11 -1.94 0.40 0.00 0.56 0.00 0.00 36.38 35.29 1nzc s VAL 142 CO 0.03 -0.65 1.24 -0.46 -0.31 0.00 0.00 175.10 174.95 1nzc n ASN 143 N -0.19 1.98 -3.92 4.85 6.94 -1.22 -1.89 115.26 121.80 1nzc n ASN 143 Ca -0.09 -3.70 -0.08 0.00 -0.02 0.00 0.00 54.58 50.69 1nzc n ASN 143 Cb 0.62 -0.52 -0.04 0.00 -2.36 0.00 0.00 39.78 37.48 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 -3.06 -0.14 -0.09 0.53 -1.08 -1.26 -4.69 116.67 106.88 1nzc s ASP 144 Ca 0.37 -0.83 -0.01 0.00 -0.52 0.00 0.00 52.55 51.57 1nzc s ASP 144 Cb 0.35 0.64 -0.03 0.00 -1.46 0.00 0.00 42.92 42.43 1nzc s ASP 144 CO -0.04 -1.23 -0.03 -0.31 0.52 0.00 0.00 175.17 174.08 1nzc s TYR 145 N -3.95 3.05 -0.31 -5.34 4.12 -1.26 -4.79 117.35 108.88 1nzc s TYR 145 Ca 0.18 0.06 -0.43 0.00 0.02 0.00 0.00 57.07 56.91 1nzc s TYR 145 Cb -0.03 -1.78 -0.18 0.00 -1.52 0.00 0.00 41.96 38.45 1nzc s TYR 145 CO 0.08 0.35 1.56 1.87 0.02 0.00 0.00 175.55 179.43 1nzc n TRP 146 N 2.36 1.69 -3.64 2.71 -0.00 -1.26 -4.98 117.44 114.32 1nzc n TRP 146 Ca -0.18 0.90 -0.15 0.00 -0.00 0.00 0.00 57.50 58.07 1nzc n TRP 146 Cb 0.53 -2.29 -0.08 0.00 -0.00 0.00 0.00 31.31 29.47 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 2.57 -1.50 -0.11 5.87 0.00 -1.26 -5.03 121.76 122.29 1nzc s ALA 147 Ca 0.99 1.48 0.22 0.00 0.00 0.00 0.00 51.96 54.65 1nzc s ALA 147 Cb -1.29 -0.64 0.57 0.00 0.00 0.00 0.00 23.12 21.76 1nzc s ALA 147 CO 0.71 -0.31 1.68 -0.07 0.00 0.00 0.00 175.76 177.76 1nzc h LEU 148 N 4.49 0.00 -1.02 0.00 3.38 -2.02 -2.02 115.31 118.12 1nzc h LEU 148 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1nzc h LEU 148 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1nzc h LEU 148 CO 0.22 0.21 0.00 -0.62 0.09 0.00 0.00 178.44 178.34 1nzc n GLU 149 N -3.22 0.13 0.00 1.13 1.02 -1.26 -2.37 120.64 116.07 1nzc n GLU 149 Ca 0.02 0.55 0.07 0.00 -0.02 0.00 0.00 57.16 57.78 1nzc n GLU 149 Cb 0.53 -1.86 -0.07 0.00 -0.02 0.00 0.00 31.44 30.02 1nzc n GLU 149 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nzc n LEU 150 N -2.13 0.87 0.17 -4.62 4.77 -0.76 -4.59 117.00 110.70 1nzc n LEU 150 Ca -0.00 -0.55 0.07 0.00 -0.03 0.00 0.00 56.01 55.50 1nzc n LEU 150 Cb 0.09 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 41.75 1nzc n LEU 150 CO 0.11 0.20 1.10 0.50 -1.33 0.00 0.00 177.39 177.98 1nzc h LYS 151 N 0.31 0.18 0.00 3.23 1.63 -1.49 0.17 116.57 120.60 1nzc h LYS 151 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1nzc h LYS 151 Cb 0.39 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1nzc h LYS 151 CO 0.00 0.12 0.00 -2.30 -3.45 0.00 0.00 179.45 173.82 1nzc n PRO 152 N -4.51 0.04 -0.08 1.90 -0.02 -1.26 -2.13 135.00 128.94 1nzc n PRO 152 Ca -0.01 0.49 0.10 0.00 -2.02 0.00 0.00 63.50 62.06 1nzc n PRO 152 Cb 0.09 -1.63 0.13 0.00 -0.02 0.00 0.00 33.50 32.08 1nzc n PRO 152 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nzc n LYS 153 N -1.72 2.06 -2.61 -0.52 5.02 0.61 -4.93 118.16 116.08 1nzc n LYS 153 Ca 0.00 -1.91 -0.33 0.00 -2.02 0.00 0.00 58.31 54.06 1nzc n LYS 153 Cb 0.05 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 1nzc n LYS 153 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1nzc s TYR 154 N -1.53 3.38 0.09 2.13 1.51 -0.91 -4.46 117.35 117.57 1nzc s TYR 154 Ca 0.28 1.53 0.04 0.00 -1.01 0.00 0.00 57.07 57.92 1nzc s TYR 154 Cb 0.18 -2.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 1nzc s TYR 154 CO 0.26 -0.24 -0.11 0.00 -1.11 0.00 0.00 175.55 174.35 1nzc s ALA 155 N -2.41 1.09 0.03 3.71 0.00 -0.98 -5.03 121.76 118.16 1nzc s ALA 155 Ca 0.60 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1nzc s ALA 155 Cb -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1nzc s ALA 155 CO 0.22 0.03 -0.06 -0.06 0.00 0.00 0.00 175.76 175.89 1nzc s PHE 156 N -1.98 0.52 0.04 0.00 0.40 -1.26 -0.75 117.98 114.96 1nzc s PHE 156 Ca 0.02 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 56.02 1nzc s PHE 156 Cb -0.06 -0.32 -0.02 0.00 0.51 0.00 0.00 43.02 43.13 1nzc s PHE 156 CO 0.01 -0.08 -0.14 0.14 0.70 0.00 0.00 175.22 175.85 1nzc s VAL 157 N -1.02 1.14 0.08 -0.44 -7.23 -0.75 -4.49 120.40 107.69 1nzc s VAL 157 Ca -0.08 -1.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.75 1nzc s VAL 157 Cb -0.08 -1.04 -0.08 0.00 0.56 0.00 0.00 36.38 35.75 1nzc s VAL 157 CO 0.00 -0.01 1.47 0.21 -0.31 0.00 0.00 175.10 176.47 1nzc s ASN 158 N -1.20 6.75 0.53 4.85 3.84 -0.39 -4.26 114.94 125.05 1nzc s ASN 158 Ca 0.02 2.34 0.23 0.00 0.21 0.00 0.00 52.86 55.66 1nzc s ASN 158 Cb -0.08 -2.57 1.37 0.00 -0.55 0.00 0.00 41.25 39.41 1nzc s ASN 158 CO 0.01 -0.74 2.03 0.10 -2.79 0.00 0.00 177.10 175.71 1nzc h TYR 159 N 7.42 0.00 -0.62 0.43 -0.00 -1.79 -2.76 116.97 119.65 1nzc h TYR 159 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.32 1nzc h TYR 159 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.93 1nzc h TYR 159 CO 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.87 1nzc n ALA 160 N -2.62 2.38 -1.60 0.10 0.00 -1.26 -4.91 120.51 112.60 1nzc n ALA 160 Ca 0.07 -1.20 -0.44 0.00 0.00 0.00 0.00 53.44 51.87 1nzc n ALA 160 Cb 0.49 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 1nzc n ALA 160 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nzc n ASP 161 N 1.56 3.31 0.00 0.00 -0.08 -1.04 -4.83 116.55 115.47 1nzc n ASP 161 Ca 0.22 0.38 0.08 0.00 -1.51 0.00 0.00 54.79 53.96 1nzc n ASP 161 Cb 0.61 -1.51 0.36 0.00 2.34 0.00 0.00 41.12 42.92 1nzc n ASP 161 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1nzc n PRO 162 N 8.39 0.02 0.01 -0.67 -0.04 -1.26 -2.34 135.00 139.12 1nzc n PRO 162 Ca 0.29 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 64.09 1nzc n PRO 162 Cb 0.41 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.48 0.31 -4.77 3.54 3.41 -1.26 -4.85 113.62 108.52 1nzc n SER 163 Ca 0.04 0.15 -0.40 0.00 -0.26 0.00 0.00 58.87 58.40 1nzc n SER 163 Cb 0.19 -0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 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 -3.15 4.31 -1.44 1.04 1.43 -0.99 -4.90 118.68 114.98 1nzc s LEU 164 Ca 0.12 2.73 -0.07 0.00 -1.03 0.00 0.00 54.13 55.87 1nzc s LEU 164 Cb 0.18 -3.77 0.04 0.00 0.03 0.00 0.00 46.19 42.67 1nzc s LEU 164 CO 0.62 -0.74 2.58 -0.67 0.23 0.00 0.00 176.35 178.37 1nzc n ASP 165 N 0.43 8.11 -4.05 2.29 2.03 -1.26 -4.84 116.55 119.25 1nzc n ASP 165 Ca 0.02 -2.92 -0.07 0.00 0.52 0.00 0.00 54.79 52.33 1nzc n ASP 165 Cb 0.42 -1.45 -0.10 0.00 -0.72 0.00 0.00 41.12 39.28 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 0.23 0.20 -0.04 5.18 -4.36 -1.26 -4.80 121.20 116.35 1nzc s ILE 166 Ca 0.59 -1.66 -0.00 0.00 -0.26 0.00 0.00 60.65 59.32 1nzc s ILE 166 Cb 0.18 -1.39 0.03 0.00 1.25 0.00 0.00 42.46 42.53 1nzc s ILE 166 CO -0.08 -0.91 0.00 -0.54 0.24 0.00 0.00 174.94 173.65 1nzc s LYS 167 N -3.69 0.38 0.40 0.37 3.01 -1.26 -5.07 119.74 113.87 1nzc s LYS 167 Ca 0.05 0.10 -0.04 0.00 -1.01 0.00 0.00 55.97 55.07 1nzc s LYS 167 Cb 0.06 -0.63 -0.04 0.00 -1.01 0.00 0.00 37.83 36.21 1nzc s LYS 167 CO -0.09 -0.19 0.67 -1.58 0.51 0.00 0.00 175.35 174.67 1nzc s TRP 168 N 1.35 3.52 0.14 3.18 0.52 -1.26 -5.03 118.94 121.37 1nzc s TRP 168 Ca -0.05 0.68 -0.12 0.00 0.02 0.00 0.00 56.10 56.63 1nzc s TRP 168 Cb -0.13 -2.17 -0.00 0.00 -1.15 0.00 0.00 33.47 30.02 1nzc s TRP 168 CO -0.02 -0.06 1.56 1.49 0.02 0.00 0.00 176.95 179.93 1nzc h GLU 169 N 0.79 0.89 0.00 4.98 4.57 -1.99 -3.39 114.58 120.43 1nzc h GLU 169 Ca -0.48 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.36 1nzc h GLU 169 Cb 1.20 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1nzc h GLU 169 CO 0.63 0.99 -0.31 -1.71 -1.18 0.00 0.00 179.01 177.42 1nzc n ASN 170 N -4.25 0.11 0.00 1.04 4.05 -1.26 -5.00 115.26 109.96 1nzc n ASN 170 Ca -0.00 -1.71 0.00 0.00 0.45 0.00 0.00 54.58 53.32 1nzc n ASN 170 Cb 0.39 -0.14 0.00 0.00 1.23 0.00 0.00 39.78 41.26 1nzc n ASN 170 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1nzc n LEU 171 N -0.06 0.00 -0.35 1.20 -0.00 -1.26 -0.52 117.00 116.01 1nzc n LEU 171 Ca 0.01 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.16 1nzc n LEU 171 Cb 0.63 0.00 0.34 0.00 -0.00 0.00 0.00 43.42 44.38 1nzc n LEU 171 CO 0.00 0.00 1.18 -0.08 -0.00 0.00 0.00 177.39 178.49 1nzc h GLU 172 N 0.00 0.69 -0.51 1.96 4.81 -1.97 -2.89 114.58 116.66 1nzc h GLU 172 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1nzc h GLU 172 Cb 0.00 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1nzc h GLU 172 CO 0.00 0.45 0.00 0.39 -0.73 0.00 0.00 179.01 179.12 1nzc n GLU 173 N -4.81 3.20 -1.83 1.92 1.02 0.32 -5.01 120.64 115.46 1nzc n GLU 173 Ca 0.24 -2.60 -0.41 0.00 -0.02 0.00 0.00 57.16 54.38 1nzc n GLU 173 Cb 0.62 -1.65 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 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 -1.61 3.61 -0.39 0.62 0.00 -1.09 -4.84 121.76 118.04 1nzc s ALA 174 Ca 0.41 1.54 -0.11 0.00 0.00 0.00 0.00 51.96 53.80 1nzc s ALA 174 Cb 0.26 -3.61 0.04 0.00 0.00 0.00 0.00 23.12 19.81 1nzc s ALA 174 CO 0.21 -1.00 0.24 -1.21 0.00 0.00 0.00 175.76 174.00 1nzc s GLU 175 N -1.65 2.80 0.02 0.00 2.02 0.05 -4.94 118.70 116.99 1nzc s GLU 175 Ca 0.55 -1.17 0.07 0.00 0.02 0.00 0.00 54.97 54.44 1nzc s GLU 175 Cb -0.46 -3.79 -0.02 0.00 0.10 0.00 0.00 34.13 29.96 1nzc s GLU 175 CO 0.58 -0.78 -0.20 0.08 0.02 0.00 0.00 175.26 174.96 1nzc s VAL 176 N 1.55 1.59 0.79 2.63 1.01 -1.26 -1.99 120.40 124.71 1nzc s VAL 176 Ca 0.02 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 1nzc s VAL 176 Cb -0.20 -1.36 0.07 0.00 0.00 0.00 0.00 36.38 34.89 1nzc s VAL 176 CO 0.06 0.29 1.14 -0.94 0.00 0.00 0.00 175.10 175.66 1nzc s SER 177 N -0.87 4.01 0.19 3.32 1.04 -1.26 -4.89 113.70 115.23 1nzc s SER 177 Ca 0.07 2.12 -0.12 0.00 0.48 0.00 0.00 55.95 58.50 1nzc s SER 177 Cb -0.08 -2.56 0.21 0.00 0.10 0.00 0.00 66.02 63.69 1nzc s SER 177 CO 0.01 -2.38 1.73 -0.33 0.98 0.00 0.00 173.24 173.25 1nzc h GLU 178 N -0.95 0.31 -0.52 4.02 5.08 -2.00 -2.38 114.58 118.13 1nzc h GLU 178 Ca -0.45 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.93 1nzc h GLU 178 Cb 1.26 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1nzc h GLU 178 CO 0.48 0.20 0.29 0.00 -1.00 0.00 0.00 179.01 178.99 1nzc h ALA 179 N 1.38 0.67 -0.13 3.43 0.00 -1.99 -1.97 119.26 120.66 1nzc h ALA 179 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1nzc h ALA 179 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1nzc h ALA 179 CO -0.29 -0.03 -0.24 -0.44 0.00 0.00 0.00 179.25 178.25 1nzc h ASP 180 N 0.57 0.22 0.03 0.00 3.32 -1.85 -2.01 116.42 116.71 1nzc h ASP 180 Ca 0.22 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1nzc h ASP 180 Cb 0.08 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1nzc h ASP 180 CO -0.12 0.47 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.51 1nzc h GLU 181 N 0.21 0.00 -0.44 3.56 4.39 -0.84 -3.21 114.58 118.25 1nzc h GLU 181 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1nzc h GLU 181 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1nzc h GLU 181 CO 0.04 0.02 0.00 0.09 -1.16 0.00 0.00 179.01 178.00 1nzc n ASN 182 N -4.34 3.28 -4.77 1.42 3.02 -0.76 -5.00 115.26 108.11 1nzc n ASN 182 Ca -0.03 -1.95 -0.34 0.00 -0.03 0.00 0.00 54.58 52.23 1nzc n ASN 182 Cb 0.11 -0.29 0.01 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.11 2.68 0.62 3.10 3.76 -1.19 -4.97 115.29 118.17 1nzc s HIS 183 Ca 0.34 1.55 -0.18 0.00 -0.15 0.00 0.00 55.06 56.61 1nzc s HIS 183 Cb 0.19 -3.24 -0.02 0.00 1.11 0.00 0.00 32.58 30.61 1nzc s HIS 183 CO 0.25 -1.57 1.25 -1.25 -0.85 0.00 0.00 174.74 172.57 1nzc s PRO 184 N -3.55 2.78 0.64 8.40 0.04 -1.26 -3.99 135.00 138.06 1nzc s PRO 184 Ca 0.71 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 63.53 1nzc s PRO 184 Cb -0.22 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1nzc s PRO 184 CO 0.31 -1.39 1.11 -0.06 0.04 0.00 0.00 177.00 177.02 1nzc s PHE 185 N -1.50 2.63 0.43 0.56 0.40 -1.26 -1.27 117.98 117.98 1nzc s PHE 185 Ca 0.80 1.55 0.20 0.00 -0.60 0.00 0.00 56.93 58.88 1nzc s PHE 185 Cb -0.34 -3.19 1.15 0.00 0.51 0.00 0.00 43.02 41.15 1nzc s PHE 185 CO 0.36 -1.68 1.85 1.25 0.70 0.00 0.00 175.22 177.70 1nzc h LEU 186 N 0.21 0.35 -1.39 -0.37 5.85 -1.92 -0.31 115.31 117.73 1nzc h LEU 186 Ca -0.47 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.39 1nzc h LEU 186 Cb 1.25 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 1nzc h LEU 186 CO 0.54 0.13 0.51 0.50 -0.34 0.00 0.00 178.44 179.78 1nzc h LYS 187 N 0.34 0.66 -0.70 1.25 3.64 -2.01 -2.63 116.57 117.12 1nzc h LYS 187 Ca 0.48 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1nzc h LYS 187 Cb 1.29 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1nzc h LYS 187 CO -0.17 0.44 0.00 -0.25 -2.27 0.00 0.00 179.45 177.20 1nzc n ASP 188 N -4.50 4.41 -4.77 4.20 8.00 -0.14 -4.91 116.55 118.84 1nzc n ASP 188 Ca 0.13 -2.22 -0.38 0.00 0.71 0.00 0.00 54.79 53.03 1nzc n ASP 188 Cb 0.35 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 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 -1.42 5.16 -0.27 2.53 1.01 -0.99 -4.91 120.40 121.51 1nzc s VAL 189 Ca 0.51 0.82 -0.25 0.00 0.00 0.00 0.00 61.98 63.06 1nzc s VAL 189 Cb 0.30 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1nzc s VAL 189 CO 0.30 0.43 0.84 -0.75 0.00 0.00 0.00 175.10 175.92 1nzc s LYS 190 N -0.05 4.11 0.33 2.72 2.20 -1.26 -5.01 119.74 122.79 1nzc s LYS 190 Ca 0.23 0.85 -0.28 0.00 -0.36 0.00 0.00 55.97 56.41 1nzc s LYS 190 Cb -0.15 -3.67 -0.13 0.00 -1.51 0.00 0.00 37.83 32.37 1nzc s LYS 190 CO 0.10 -0.59 1.24 -2.30 -0.36 0.00 0.00 175.35 173.44 1nzc n PRO 191 N 6.12 1.98 -2.43 4.03 -0.02 -1.26 -4.92 135.00 138.49 1nzc n PRO 191 Ca 0.05 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 1nzc n PRO 191 Cb 0.48 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 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 -0.72 4.36 0.54 2.45 1.43 -0.21 -4.67 118.68 121.86 1nzc s LEU 192 Ca 0.56 1.98 -0.02 0.00 -1.03 0.00 0.00 54.13 55.63 1nzc s LEU 192 Cb -0.60 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.06 1nzc s LEU 192 CO 0.61 -0.48 0.80 -0.13 0.23 0.00 0.00 176.35 177.39 1nzc s ARG 193 N 1.19 2.81 0.28 1.70 3.00 -1.26 -0.01 118.95 126.66 1nzc s ARG 193 Ca 0.58 -0.40 -0.02 0.00 0.00 0.00 0.00 55.73 55.90 1nzc s ARG 193 Cb -0.29 -2.42 0.44 0.00 0.00 0.00 0.00 34.95 32.69 1nzc s ARG 193 CO 0.28 -0.60 1.91 0.87 0.00 0.00 0.00 175.30 177.76 1nzc h LYS 194 N 0.05 1.11 -0.68 3.54 1.57 -1.92 -1.72 116.57 118.53 1nzc h LYS 194 Ca -0.45 -0.07 0.12 0.00 -1.87 0.00 0.00 60.65 58.39 1nzc h LYS 194 Cb 1.27 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 1nzc h LYS 194 CO 0.57 0.73 0.45 1.05 -0.57 0.00 0.00 179.45 181.69 1nzc h GLU 195 N 1.14 0.41 -0.00 3.15 9.09 -2.04 -0.23 114.58 126.10 1nzc h GLU 195 Ca 0.40 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.78 1nzc h GLU 195 Cb 0.12 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 1nzc h GLU 195 CO -0.14 0.27 -0.05 -0.25 0.05 0.00 0.00 179.01 178.89 1nzc n ASP 196 N -4.47 0.32 0.00 3.06 8.00 -0.66 -5.22 116.55 117.57 1nzc n ASP 196 Ca 0.12 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.98 1nzc n ASP 196 Cb 0.44 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1nzc n ASP 196 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99