#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mzb h VAL 2 N 0.00 1.29 -0.56 1.12 2.07 -2.06 -2.64 116.25 115.47 1mzb h VAL 2 Ca 0.00 -1.44 -0.10 0.00 0.82 0.00 0.00 66.70 65.98 1mzb h VAL 2 Cb 0.00 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1mzb h VAL 2 CO 0.00 0.45 -0.04 -0.33 0.02 0.00 0.00 177.57 177.68 1mzb h GLU 3 N 0.44 1.00 -0.55 1.57 3.07 -2.00 -1.87 114.58 116.25 1mzb h GLU 3 Ca 0.05 -0.33 -0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1mzb h GLU 3 Cb 0.80 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.59 1mzb h GLU 3 CO 0.06 1.00 0.33 -0.91 -1.40 0.00 0.00 179.01 178.10 1mzb h ASN 4 N 0.91 0.65 -0.59 1.42 4.21 -1.95 -1.21 115.58 119.03 1mzb h ASN 4 Ca 0.16 -0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.58 1mzb h ASN 4 Cb 0.58 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.59 1mzb h ASN 4 CO 0.03 0.52 0.22 0.28 -1.29 0.00 0.00 177.43 177.19 1mzb h SER 5 N 0.73 0.82 -0.63 5.81 0.02 -1.29 -0.86 113.55 118.16 1mzb h SER 5 Ca 0.20 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1mzb h SER 5 Cb -0.02 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1mzb h SER 5 CO -0.04 0.78 0.42 -0.33 -1.14 0.00 0.00 176.83 176.52 1mzb h GLU 6 N 0.81 0.82 -0.49 3.45 5.08 -0.94 0.25 114.58 123.57 1mzb h GLU 6 Ca 0.19 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1mzb h GLU 6 Cb 0.22 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1mzb h GLU 6 CO -0.01 0.54 0.05 -0.07 -1.00 0.00 0.00 179.01 178.52 1mzb h LEU 7 N 0.85 0.81 -0.20 1.33 3.38 -0.95 -2.61 115.31 117.91 1mzb h LEU 7 Ca 0.23 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1mzb h LEU 7 Cb -0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1mzb h LEU 7 CO -0.06 0.89 -0.05 0.03 0.09 0.00 0.00 178.44 179.35 1mzb h ARG 8 N 0.71 0.39 -0.31 1.13 3.08 -0.81 -0.84 114.38 117.73 1mzb h ARG 8 Ca 0.15 -0.15 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1mzb h ARG 8 Cb 0.44 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1mzb h ARG 8 CO 0.02 0.64 0.29 0.87 -1.07 0.00 0.00 179.97 180.71 1mzb h LYS 9 N 0.11 0.00 -0.58 0.04 6.56 -0.94 0.15 116.57 121.91 1mzb h LYS 9 Ca 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1mzb h LYS 9 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1mzb h LYS 9 CO 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.41 1mzb n ALA 10 N -2.42 2.83 -2.40 3.86 0.00 -0.94 -4.91 120.51 116.53 1mzb n ALA 10 Ca 0.05 -0.98 -0.20 0.00 0.00 0.00 0.00 53.44 52.30 1mzb n ALA 10 Cb 0.45 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 1mzb n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mzb n GLY 11 N 0.88 -0.47 3.19 0.00 0.00 0.52 -4.89 105.19 104.42 1mzb n GLY 11 Ca 0.16 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1mzb n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mzb s LEU 12 N -5.85 2.10 0.52 0.99 1.43 -0.36 -5.03 118.68 112.47 1mzb s LEU 12 Ca 0.01 -0.58 -0.22 0.00 -1.03 0.00 0.00 54.13 52.30 1mzb s LEU 12 Cb -0.00 -1.43 -0.06 0.00 0.03 0.00 0.00 46.19 44.73 1mzb s LEU 12 CO 0.01 0.12 1.32 -1.59 0.23 0.00 0.00 176.35 176.44 1mzb s LYS 13 N 0.60 3.30 -0.17 1.70 0.00 -1.26 -3.71 119.74 120.19 1mzb s LYS 13 Ca -0.13 2.15 -0.29 0.00 0.00 0.00 0.00 55.97 57.70 1mzb s LYS 13 Cb -0.17 -2.31 -0.00 0.00 0.00 0.00 0.00 37.83 35.35 1mzb s LYS 13 CO 0.03 -1.04 1.04 0.08 0.00 0.00 0.00 175.35 175.46 1mzb s VAL 14 N -1.35 4.70 0.08 1.79 1.01 -1.26 -4.98 120.40 120.40 1mzb s VAL 14 Ca 0.69 2.01 0.01 0.00 0.00 0.00 0.00 61.98 64.70 1mzb s VAL 14 Cb -0.38 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 1mzb s VAL 14 CO 0.46 -0.09 -0.06 0.42 0.00 0.00 0.00 175.10 175.82 1mzb s THR 15 N 2.66 0.60 0.11 3.92 -4.23 -1.26 -5.06 115.64 112.37 1mzb s THR 15 Ca 0.47 -1.82 -0.21 0.00 -1.18 0.00 0.00 61.69 58.94 1mzb s THR 15 Cb -0.17 -1.54 -0.09 0.00 1.34 0.00 0.00 72.50 72.04 1mzb s THR 15 CO 0.12 -0.84 1.74 0.25 -0.54 0.00 0.00 174.62 175.34 1mzb h LEU 16 N 3.16 -0.00 -1.12 4.79 5.85 -1.99 -0.44 115.31 125.55 1mzb h LEU 16 Ca -0.35 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1mzb h LEU 16 Cb 1.17 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 1mzb h LEU 16 CO 0.62 0.02 0.53 -0.65 -0.34 0.00 0.00 178.44 178.63 1mzb h PRO 17 N 0.06 1.13 -0.55 5.25 0.11 -2.00 -1.09 132.00 134.91 1mzb h PRO 17 Ca 0.05 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 1mzb h PRO 17 Cb 0.04 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 1mzb h PRO 17 CO -0.07 0.77 -0.02 0.00 -0.21 0.00 0.00 178.00 178.47 1mzb h ARG 18 N 1.16 0.97 -0.24 1.05 3.08 -1.83 -2.20 114.38 116.36 1mzb h ARG 18 Ca 0.31 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1mzb h ARG 18 Cb -0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1mzb h ARG 18 CO -0.06 0.97 -0.16 0.28 -1.07 0.00 0.00 179.97 179.92 1mzb h VAL 19 N 0.88 1.31 -0.74 2.04 2.07 -0.58 -2.50 116.25 118.73 1mzb h VAL 19 Ca 0.16 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 1mzb h VAL 19 Cb 0.55 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1mzb h VAL 19 CO 0.03 0.40 0.27 0.11 0.02 0.00 0.00 177.57 178.40 1mzb h LYS 20 N 0.24 1.12 -0.42 1.57 1.57 -1.15 -1.63 116.57 117.86 1mzb h LYS 20 Ca 0.05 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.50 1mzb h LYS 20 Cb 0.69 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1mzb h LYS 20 CO 0.04 0.92 -0.17 0.82 -0.57 0.00 0.00 179.45 180.49 1mzb h ILE 21 N 1.09 1.28 -0.43 1.86 2.04 -1.41 -0.89 117.51 121.04 1mzb h ILE 21 Ca 0.25 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 1mzb h ILE 21 Cb 0.24 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1mzb h ILE 21 CO -0.02 0.44 0.14 0.25 0.00 0.00 0.00 178.15 178.97 1mzb h LEU 22 N 0.69 0.57 -0.51 1.44 5.85 -1.27 -0.34 115.31 121.73 1mzb h LEU 22 Ca 0.10 -0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 1mzb h LEU 22 Cb 0.73 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1mzb h LEU 22 CO 0.06 0.54 -0.48 1.56 -0.34 0.00 0.00 178.44 179.78 1mzb h GLN 23 N 0.62 0.67 -0.59 1.25 4.20 -0.96 -0.98 115.11 119.32 1mzb h GLN 23 Ca 0.15 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 1mzb h GLN 23 Cb 0.17 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1mzb h GLN 23 CO -0.01 1.00 0.21 1.98 -0.67 0.00 0.00 178.83 181.33 1mzb h MET 24 N 0.53 0.89 -0.76 1.46 4.05 -0.53 -2.47 114.93 118.10 1mzb h MET 24 Ca 0.03 -0.18 -0.05 0.00 -0.28 0.00 0.00 59.70 59.22 1mzb h MET 24 Cb 1.02 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.65 1mzb h MET 24 CO 0.10 0.79 0.29 -0.07 0.23 0.00 0.00 176.91 178.25 1mzb h LEU 25 N 0.82 1.05 -0.52 3.39 3.38 -0.82 -3.02 115.31 119.58 1mzb h LEU 25 Ca 0.19 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1mzb h LEU 25 Cb 0.25 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1mzb h LEU 25 CO -0.01 0.94 0.32 0.44 0.09 0.00 0.00 178.44 180.21 1mzb h ASP 26 N 1.11 0.51 -3.42 -0.43 3.32 -0.79 -3.41 116.42 113.31 1mzb h ASP 26 Ca 0.25 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.72 1mzb h ASP 26 Cb 0.22 -0.11 -0.09 0.00 0.22 0.00 0.00 39.33 39.57 1mzb h ASP 26 CO -0.02 0.36 0.09 -0.44 -1.72 0.00 0.00 179.24 177.51 1mzb s SER 27 N -5.60 6.69 0.55 6.45 0.01 -0.96 -5.11 113.70 115.73 1mzb s SER 27 Ca -0.13 0.83 0.09 0.00 1.31 0.00 0.00 55.95 58.05 1mzb s SER 27 Cb 0.13 -2.34 0.07 0.00 0.21 0.00 0.00 66.02 64.09 1mzb s SER 27 CO 0.74 -0.24 0.68 0.00 0.41 0.00 0.00 173.24 174.83 1mzb s ALA 28 N 1.77 4.62 0.00 1.44 0.00 -1.26 -4.85 121.76 123.48 1mzb s ALA 28 Ca 0.28 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1mzb s ALA 28 Cb -0.16 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1mzb s ALA 28 CO 0.11 -0.72 0.00 1.04 0.00 0.00 0.00 175.76 176.19 1mzb n GLN 30 N -2.09 0.00 0.06 0.00 6.02 -1.26 -5.13 117.38 114.98 1mzb n GLN 30 Ca 0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.99 1mzb n GLN 30 Cb 0.62 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.75 1mzb n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mzb h ARG 31 N 0.33 0.10 -3.29 -1.09 3.08 -1.98 -3.40 114.38 108.13 1mzb h ARG 31 Ca 0.00 -0.17 -0.64 0.00 0.07 0.00 0.00 59.98 59.24 1mzb h ARG 31 Cb 0.00 0.06 -0.41 0.00 0.08 0.00 0.00 29.97 29.71 1mzb h ARG 31 CO 0.00 1.02 -0.57 -1.01 -1.07 0.00 0.00 179.97 178.34 1mzb s HIS 32 N -2.67 3.36 0.07 3.04 3.76 -1.26 -4.75 115.29 116.84 1mzb s HIS 32 Ca -0.02 -3.20 -0.16 0.00 -0.15 0.00 0.00 55.06 51.53 1mzb s HIS 32 Cb 0.09 -2.83 -0.06 0.00 1.11 0.00 0.00 32.58 30.89 1mzb s HIS 32 CO 0.84 -0.68 0.50 -1.64 -0.85 0.00 0.00 174.74 172.91 1mzb s MET 33 N -0.72 4.02 0.72 1.40 -1.94 -1.23 -4.79 119.30 116.75 1mzb s MET 33 Ca 0.20 0.53 -0.07 0.00 -1.71 0.00 0.00 55.69 54.64 1mzb s MET 33 Cb -0.18 -3.13 0.07 0.00 2.01 0.00 0.00 34.83 33.60 1mzb s MET 33 CO -0.06 0.61 1.03 -1.54 -0.01 0.00 0.00 175.02 175.05 1mzb s SER 34 N -1.32 4.72 0.29 3.03 1.04 -1.26 -0.12 113.70 120.08 1mzb s SER 34 Ca 0.30 0.44 -0.02 0.00 0.48 0.00 0.00 55.95 57.15 1mzb s SER 34 Cb -0.17 -1.05 0.42 0.00 0.10 0.00 0.00 66.02 65.32 1mzb s SER 34 CO 0.17 -1.66 1.95 0.00 0.98 0.00 0.00 173.24 174.68 1mzb h ALA 35 N -0.66 1.40 -0.52 5.32 0.00 -1.97 -1.69 119.26 121.13 1mzb h ALA 35 Ca -0.44 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1mzb h ALA 35 Cb 1.31 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1mzb h ALA 35 CO 0.59 0.54 -0.07 0.93 0.00 0.00 0.00 179.25 181.25 1mzb h GLU 36 N 1.16 0.95 -0.60 0.00 5.08 -1.94 -0.78 114.58 118.44 1mzb h GLU 36 Ca 0.33 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1mzb h GLU 36 Cb -0.08 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1mzb h GLU 36 CO -0.08 0.97 0.36 -0.44 -1.00 0.00 0.00 179.01 178.82 1mzb h ASP 37 N 0.85 0.73 0.01 1.42 3.32 -1.78 0.26 116.42 121.23 1mzb h ASP 37 Ca 0.14 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1mzb h ASP 37 Cb 0.60 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1mzb h ASP 37 CO 0.04 0.59 -0.00 0.58 -1.72 0.00 0.00 179.24 178.72 1mzb h VAL 38 N 0.82 1.11 -0.47 -1.35 2.07 -1.05 -1.03 116.25 116.35 1mzb h VAL 38 Ca 0.22 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.45 1mzb h VAL 38 Cb -0.00 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 1mzb h VAL 38 CO -0.04 0.09 0.12 0.22 0.02 0.00 0.00 177.57 177.99 1mzb h TYR 39 N -0.16 0.21 -0.55 1.57 3.20 -0.88 0.40 116.97 120.75 1mzb h TYR 39 Ca -0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1mzb h TYR 39 Cb 0.16 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1mzb h TYR 39 CO -0.02 0.04 0.22 0.87 -1.64 0.00 0.00 178.16 177.63 1mzb h LYS 40 N 0.27 0.82 -0.61 1.82 1.57 -0.41 0.19 116.57 120.23 1mzb h LYS 40 Ca 0.23 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1mzb h LYS 40 Cb 0.28 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1mzb h LYS 40 CO -0.28 0.71 0.37 0.00 -0.57 0.00 0.00 179.45 179.69 1mzb h ALA 41 N 1.07 0.77 -0.73 3.86 0.00 -0.69 0.39 119.26 123.94 1mzb h ALA 41 Ca 0.18 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1mzb h ALA 41 Cb 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1mzb h ALA 41 CO -0.02 0.24 0.27 -0.07 0.00 0.00 0.00 179.25 179.67 1mzb h LEU 42 N 0.82 1.02 -0.72 0.00 3.38 -0.45 -1.38 115.31 117.99 1mzb h LEU 42 Ca 0.22 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1mzb h LEU 42 Cb -0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1mzb h LEU 42 CO -0.04 0.94 -0.03 0.24 0.09 0.00 0.00 178.44 179.64 1mzb h MET 43 N 1.06 0.96 -0.57 1.13 2.86 -0.18 0.26 114.93 120.44 1mzb h MET 43 Ca 0.24 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1mzb h MET 43 Cb 0.25 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1mzb h MET 43 CO -0.01 0.96 0.37 1.49 1.06 0.00 0.00 176.91 180.77 1mzb h GLU 44 N 0.88 0.75 -0.71 1.72 4.81 -0.67 0.11 114.58 121.47 1mzb h GLU 44 Ca 0.16 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1mzb h GLU 44 Cb 0.55 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1mzb h GLU 44 CO 0.03 0.51 0.00 0.00 -0.73 0.00 0.00 179.01 178.82 1mzb n ALA 45 N -2.26 1.97 -1.54 2.92 0.00 -0.54 -4.78 120.51 116.27 1mzb n ALA 45 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 1mzb n ALA 45 Cb 0.03 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 1mzb n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mzb n GLY 46 N 0.24 1.13 3.81 0.00 0.00 0.03 -4.95 105.19 105.44 1mzb n GLY 46 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1mzb n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mzb s GLU 47 N -3.44 0.93 -0.49 1.61 0.41 0.03 -5.00 118.70 112.75 1mzb s GLU 47 Ca 0.00 0.09 0.06 0.00 -0.41 0.00 0.00 54.97 54.71 1mzb s GLU 47 Cb 0.00 -1.83 0.39 0.00 -1.78 0.00 0.00 34.13 30.90 1mzb s GLU 47 CO 0.00 -2.30 1.02 -3.47 -0.49 0.00 0.00 175.26 170.02 1mzb n ASP 48 N -3.80 4.30 -4.15 -0.19 2.03 -1.26 -4.66 116.55 108.82 1mzb n ASP 48 Ca 0.09 -3.63 -0.33 0.00 0.52 0.00 0.00 54.79 51.44 1mzb n ASP 48 Cb 0.60 -0.51 -0.16 0.00 -0.72 0.00 0.00 41.12 40.33 1mzb n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1mzb s VAL 49 N -4.86 2.24 0.73 5.18 1.01 -1.26 -5.11 120.40 118.32 1mzb s VAL 49 Ca 0.47 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 1mzb s VAL 49 Cb 0.35 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.82 1mzb s VAL 49 CO -0.15 0.53 1.08 -0.83 0.00 0.00 0.00 175.10 175.72 1mzb s GLY 50 N 1.24 1.70 0.18 4.51 0.00 -1.26 -4.85 107.32 108.85 1mzb s GLY 50 Ca 0.03 0.20 -0.12 0.00 0.00 0.00 0.00 44.72 44.83 1mzb s GLY 50 CO -0.10 0.52 1.78 -2.00 0.00 0.00 0.00 173.10 173.30 1mzb h LEU 51 N -0.87 0.35 -1.32 0.66 5.85 -1.97 -1.38 115.31 116.63 1mzb h LEU 51 Ca -0.44 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.33 1mzb h LEU 51 Cb 1.22 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 1mzb h LEU 51 CO 0.54 0.24 0.46 0.00 -0.34 0.00 0.00 178.44 179.34 1mzb h ALA 52 N 1.30 1.53 -0.33 1.25 0.00 -1.99 0.12 119.26 121.13 1mzb h ALA 52 Ca 0.24 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1mzb h ALA 52 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1mzb h ALA 52 CO -0.18 0.43 -0.40 1.15 0.00 0.00 0.00 179.25 180.25 1mzb h THR 53 N 0.92 1.28 -0.29 0.00 2.02 -1.72 -1.08 112.91 114.04 1mzb h THR 53 Ca 0.26 -1.58 -0.00 0.00 0.77 0.00 0.00 66.41 65.86 1mzb h THR 53 Cb -0.07 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1mzb h THR 53 CO -0.06 0.52 0.16 0.58 0.37 0.00 0.00 175.52 177.09 1mzb h VAL 54 N 0.66 1.12 -0.53 3.16 2.07 -0.33 -0.17 116.25 122.24 1mzb h VAL 54 Ca 0.05 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1mzb h VAL 54 Cb 0.97 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1mzb h VAL 54 CO 0.09 0.12 0.26 0.22 0.02 0.00 0.00 177.57 178.28 1mzb h TYR 55 N 0.36 0.77 -0.10 1.57 3.20 -0.90 -0.99 116.97 120.88 1mzb h TYR 55 Ca 0.10 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1mzb h TYR 55 Cb 0.05 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1mzb h TYR 55 CO -0.04 0.59 0.03 0.00 -1.64 0.00 0.00 178.16 177.11 1mzb h ARG 56 N 0.71 0.07 -0.53 1.82 2.47 -0.86 -0.74 114.38 117.32 1mzb h ARG 56 Ca 0.18 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.88 1mzb h ARG 56 Cb 0.11 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 1mzb h ARG 56 CO -0.02 0.05 0.26 0.28 0.56 0.00 0.00 179.97 181.09 1mzb h VAL 57 N 0.08 1.20 -0.40 2.04 2.07 -0.85 0.08 116.25 120.47 1mzb h VAL 57 Ca 0.04 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1mzb h VAL 57 Cb 0.02 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1mzb h VAL 57 CO -0.05 0.22 0.15 -0.07 0.02 0.00 0.00 177.57 177.85 1mzb h LEU 58 N 0.72 0.51 -0.68 2.57 3.38 -0.99 0.11 115.31 120.92 1mzb h LEU 58 Ca 0.18 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1mzb h LEU 58 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1mzb h LEU 58 CO -0.02 0.47 -0.56 0.74 0.09 0.00 0.00 178.44 179.15 1mzb h THR 59 N 0.56 1.37 -0.39 0.22 2.02 -0.49 -0.47 112.91 115.73 1mzb h THR 59 Ca 0.14 -1.88 -0.05 0.00 0.77 0.00 0.00 66.41 65.39 1mzb h THR 59 Cb 0.13 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1mzb h THR 59 CO -0.01 0.56 0.04 1.56 0.37 0.00 0.00 175.52 178.04 1mzb h GLN 60 N 0.21 0.66 -0.52 6.66 4.20 -0.09 -1.69 115.11 124.55 1mzb h GLN 60 Ca 0.00 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 1mzb h GLN 60 Cb 1.06 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 1mzb h GLN 60 CO 0.09 0.73 0.11 0.74 -0.67 0.00 0.00 178.83 179.83 1mzb h PHE 61 N 0.50 0.82 -0.15 2.96 -1.00 -0.56 -2.08 116.94 117.44 1mzb h PHE 61 Ca 0.12 -0.08 -0.03 0.00 2.81 0.00 0.00 57.97 60.79 1mzb h PHE 61 Cb 0.41 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 39.72 1mzb h PHE 61 CO 0.03 0.70 -0.02 1.49 -1.61 0.00 0.00 178.31 178.90 1mzb h GLU 62 N 0.77 0.28 -0.58 1.51 4.81 -0.79 0.27 114.58 120.84 1mzb h GLU 62 Ca 0.17 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1mzb h GLU 62 Cb 0.31 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1mzb h GLU 62 CO 0.00 0.54 0.28 0.00 -0.73 0.00 0.00 179.01 179.10 1mzb h ALA 63 N 0.73 1.39 0.00 2.92 0.00 -1.19 -2.13 119.26 120.97 1mzb h ALA 63 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mzb h ALA 63 Cb 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1mzb h ALA 63 CO 0.01 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1mzb h ALA 64 N 1.48 1.00 0.00 0.00 0.00 -1.28 -3.47 119.26 117.00 1mzb h ALA 64 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1mzb h ALA 64 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1mzb h ALA 64 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1mzb n GLY 65 N 0.60 0.68 0.13 0.00 0.00 -0.75 -4.92 105.19 100.93 1mzb n GLY 65 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1mzb n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mzb h LEU 66 N 0.00 0.00 -8.57 0.99 3.38 -1.21 -3.43 115.31 106.47 1mzb h LEU 66 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1mzb h LEU 66 Cb 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 1mzb h LEU 66 CO 0.00 0.63 -0.69 0.68 0.09 0.00 0.00 178.44 179.15 1mzb s VAL 67 N -3.33 0.79 -0.00 1.22 -7.23 -0.97 -1.83 120.40 109.04 1mzb s VAL 67 Ca 0.00 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1mzb s VAL 67 Cb 0.11 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 1mzb s VAL 67 CO 0.75 -0.69 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.95 1mzb s VAL 68 N -3.57 2.55 -0.12 1.32 1.01 -0.35 -4.22 120.40 117.02 1mzb s VAL 68 Ca 0.17 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1mzb s VAL 68 Cb 0.05 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1mzb s VAL 68 CO -0.00 0.48 -0.01 -0.60 0.00 0.00 0.00 175.10 174.97 1mzb s ARG 69 N -0.97 3.35 0.11 2.72 3.52 -1.26 -1.99 118.95 124.43 1mzb s ARG 69 Ca 0.12 -0.45 0.05 0.00 -0.13 0.00 0.00 55.73 55.31 1mzb s ARG 69 Cb -0.10 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 1mzb s ARG 69 CO 0.02 0.47 -0.12 -1.01 -0.81 0.00 0.00 175.30 173.85 1mzb s HIS 70 N -0.25 1.24 -0.33 5.12 3.76 -0.36 -4.96 115.29 119.51 1mzb s HIS 70 Ca 0.05 -0.60 -0.01 0.00 -0.15 0.00 0.00 55.06 54.35 1mzb s HIS 70 Cb -0.12 -0.66 0.11 0.00 1.11 0.00 0.00 32.58 33.01 1mzb s HIS 70 CO 0.02 0.08 0.12 1.21 -0.85 0.00 0.00 174.74 175.32 1mzb s ASN 71 N -2.45 3.89 -0.03 1.40 3.84 -1.26 -0.10 114.94 120.23 1mzb s ASN 71 Ca 0.07 -1.76 0.09 0.00 0.21 0.00 0.00 52.86 51.47 1mzb s ASN 71 Cb -0.04 -0.82 -0.23 0.00 -0.55 0.00 0.00 41.25 39.61 1mzb s ASN 71 CO 0.02 -0.39 0.73 -0.26 -2.79 0.00 0.00 177.10 174.40 1mzb h PHE 72 N 7.90 0.08 -0.25 0.43 0.04 -1.98 -3.37 116.94 119.79 1mzb h PHE 72 Ca -0.12 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1mzb h PHE 72 Cb 1.00 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.15 1mzb h PHE 72 CO 0.37 1.11 0.00 -0.40 -0.60 0.00 0.00 178.31 178.79 1mzb n ASP 73 N -3.16 2.90 0.00 2.17 5.68 -1.26 -4.97 116.55 117.91 1mzb n ASP 73 Ca -0.16 -1.85 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 1mzb n ASP 73 Cb 1.04 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 1mzb n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mzb n GLY 74 N 1.04 2.87 0.10 6.12 0.00 -1.26 -4.81 105.19 109.25 1mzb n GLY 74 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1mzb n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mzb n GLY 75 N -0.69 -0.23 3.21 -0.02 0.00 -1.26 -5.00 105.19 101.20 1mzb n GLY 75 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 1mzb n GLY 75 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1mzb s HIS 76 N -2.14 -0.07 0.04 1.61 -3.43 -1.26 -5.15 115.29 104.89 1mzb s HIS 76 Ca 0.07 0.00 -0.18 0.00 -0.80 0.00 0.00 55.06 54.16 1mzb s HIS 76 Cb 0.11 0.05 -0.06 0.00 -1.43 0.00 0.00 32.58 31.24 1mzb s HIS 76 CO 0.51 -0.42 0.51 0.00 -2.00 0.00 0.00 174.74 173.34 1mzb s ALA 77 N -1.95 3.63 -0.04 -1.38 0.00 -1.26 -4.26 121.76 116.50 1mzb s ALA 77 Ca -0.09 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.83 1mzb s ALA 77 Cb -0.03 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1mzb s ALA 77 CO 0.00 0.43 -0.11 0.08 0.00 0.00 0.00 175.76 176.15 1mzb s VAL 78 N -1.07 3.31 -0.08 0.00 1.01 0.86 -4.27 120.40 120.16 1mzb s VAL 78 Ca 0.27 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.61 1mzb s VAL 78 Cb -0.18 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 1mzb s VAL 78 CO 0.17 0.55 -0.22 -0.36 0.00 0.00 0.00 175.10 175.24 1mzb s PHE 79 N -0.80 2.28 0.03 5.22 0.40 0.83 -1.22 117.98 124.72 1mzb s PHE 79 Ca 0.13 -0.86 -0.01 0.00 -0.60 0.00 0.00 56.93 55.59 1mzb s PHE 79 Cb -0.11 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.86 1mzb s PHE 79 CO 0.02 -0.34 -0.02 -1.83 0.70 0.00 0.00 175.22 173.76 1mzb s GLU 80 N 0.27 0.43 0.71 0.44 -1.05 -0.84 -3.53 118.70 115.13 1mzb s GLU 80 Ca -0.14 -0.81 -0.16 0.00 -0.15 0.00 0.00 54.97 53.70 1mzb s GLU 80 Cb -0.16 0.15 0.02 0.00 -0.44 0.00 0.00 34.13 33.70 1mzb s GLU 80 CO 0.07 -0.08 1.22 1.28 0.95 0.00 0.00 175.26 178.70 1mzb n LEU 81 N 1.05 5.23 -0.06 1.83 4.77 -1.26 -1.21 117.00 127.36 1mzb n LEU 81 Ca -0.20 0.74 -0.20 0.00 -0.03 0.00 0.00 56.01 56.31 1mzb n LEU 81 Cb 0.57 -1.52 -0.13 0.00 -2.33 0.00 0.00 43.42 40.01 1mzb n LEU 81 CO 0.23 -1.34 -1.07 0.00 -1.33 0.00 0.00 177.39 173.88 1mzb n ALA 82 N -2.41 1.14 -0.29 -1.18 0.00 -0.76 -4.42 120.51 112.59 1mzb n ALA 82 Ca 0.15 -0.83 0.27 0.00 0.00 0.00 0.00 53.44 53.02 1mzb n ALA 82 Cb 0.49 -0.40 0.62 0.00 0.00 0.00 0.00 19.45 20.16 1mzb n ALA 82 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1mzb h ASP 83 N -0.00 0.24 -3.72 0.00 2.03 -1.87 -3.43 116.42 109.66 1mzb h ASP 83 Ca -0.50 0.04 -0.51 0.00 -0.73 0.00 0.00 57.03 55.33 1mzb h ASP 83 Cb 1.95 0.00 0.21 0.00 -0.83 0.00 0.00 39.33 40.66 1mzb h ASP 83 CO -0.01 0.05 -0.15 -1.54 -1.03 0.00 0.00 179.24 176.57 1mzb n SER 84 N -4.43 -0.88 -4.49 4.15 3.41 -1.26 -4.89 113.62 105.23 1mzb n SER 84 Ca 0.23 0.27 -0.36 0.00 -0.26 0.00 0.00 58.87 58.75 1mzb n SER 84 Cb 0.98 -1.33 0.07 0.00 -0.26 0.00 0.00 64.21 63.66 1mzb n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mzb n GLY 85 N 0.87 -1.33 3.76 5.00 0.00 -1.26 -4.87 105.19 107.36 1mzb n GLY 85 Ca 0.08 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1mzb n GLY 85 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1mzb s HIS 86 N -1.86 2.65 -0.22 1.61 2.46 -1.26 -5.04 115.29 113.64 1mzb s HIS 86 Ca 0.67 1.49 -0.19 0.00 0.47 0.00 0.00 55.06 57.51 1mzb s HIS 86 Cb -0.36 -3.50 0.06 0.00 -0.13 0.00 0.00 32.58 28.65 1mzb s HIS 86 CO 0.56 -1.96 0.58 -1.01 -2.47 0.00 0.00 174.74 170.44 1mzb s HIS 87 N -1.50 -0.68 0.26 3.88 4.02 -1.26 -4.79 115.29 115.22 1mzb s HIS 87 Ca 0.68 1.60 0.03 0.00 1.02 0.00 0.00 55.06 58.38 1mzb s HIS 87 Cb -0.32 0.27 0.03 0.00 -1.02 0.00 0.00 32.58 31.54 1mzb s HIS 87 CO 0.38 -0.33 0.26 -0.25 1.02 0.00 0.00 174.74 175.81 1mzb n ASP 88 N 3.08 1.46 -3.90 1.40 8.00 0.56 -4.90 116.55 122.25 1mzb n ASP 88 Ca -0.15 -1.80 -0.11 0.00 0.71 0.00 0.00 54.79 53.44 1mzb n ASP 88 Cb 0.56 -0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 41.45 1mzb n ASP 88 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1mzb s HIS 89 N -1.00 0.08 -0.11 1.24 3.76 -1.03 -1.92 115.29 116.30 1mzb s HIS 89 Ca 0.20 -0.15 -0.03 0.00 -0.15 0.00 0.00 55.06 54.92 1mzb s HIS 89 Cb -0.02 -0.07 -0.03 0.00 1.11 0.00 0.00 32.58 33.57 1mzb s HIS 89 CO 0.13 -0.12 0.02 -1.64 -0.85 0.00 0.00 174.74 172.28 1mzb s MET 90 N -0.69 3.27 -0.11 1.40 -1.94 0.19 -0.61 119.30 120.81 1mzb s MET 90 Ca -0.08 -0.39 0.02 0.00 -1.71 0.00 0.00 55.69 53.53 1mzb s MET 90 Cb -0.05 -2.91 0.01 0.00 2.01 0.00 0.00 34.83 33.90 1mzb s MET 90 CO -0.00 0.58 -0.16 0.08 -0.01 0.00 0.00 175.02 175.51 1mzb s VAL 91 N -0.53 1.53 -0.44 -6.03 1.01 0.22 0.06 120.40 116.21 1mzb s VAL 91 Ca 0.09 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 1mzb s VAL 91 Cb -0.12 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1mzb s VAL 91 CO 0.02 0.45 1.22 0.00 0.00 0.00 0.00 175.10 176.79 1mzb h VAL 93 N 6.26 1.17 0.00 0.00 -1.51 -1.61 0.48 116.25 121.04 1mzb h VAL 93 Ca -0.24 -0.40 -0.19 0.00 -1.23 0.00 0.00 66.70 64.64 1mzb h VAL 93 Cb 1.07 0.34 -0.02 0.00 -2.13 0.00 0.00 31.29 30.55 1mzb h VAL 93 CO 1.11 0.18 -0.89 0.44 -1.23 0.00 0.00 177.57 177.18 1mzb h ASP 94 N 0.83 0.04 0.00 4.19 3.32 -1.91 -3.36 116.42 119.52 1mzb h ASP 94 Ca 0.22 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1mzb h ASP 94 Cb -0.02 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1mzb h ASP 94 CO -0.04 0.91 -1.51 0.35 -1.72 0.00 0.00 179.24 177.23 1mzb n THR 95 N -3.51 0.00 -0.68 0.35 -2.24 -1.12 -5.00 114.28 102.09 1mzb n THR 95 Ca -0.01 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1mzb n THR 95 Cb 0.84 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1mzb n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mzb n GLY 96 N 1.85 0.84 3.74 3.38 0.00 0.17 -5.01 105.19 110.15 1mzb n GLY 96 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1mzb n GLY 96 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mzb s GLU 97 N -0.32 4.16 -0.15 1.61 2.12 -1.24 -4.67 118.70 120.21 1mzb s GLU 97 Ca 0.00 2.50 -0.03 0.00 0.36 0.00 0.00 54.97 57.80 1mzb s GLU 97 Cb 0.00 -3.06 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 1mzb s GLU 97 CO 0.00 -0.61 -0.05 0.08 -0.54 0.00 0.00 175.26 174.14 1mzb s VAL 98 N 0.34 3.72 -0.20 3.70 1.01 -1.26 -0.37 120.40 127.34 1mzb s VAL 98 Ca 0.65 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1mzb s VAL 98 Cb -0.46 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1mzb s VAL 98 CO 0.42 0.50 -0.16 -0.63 0.00 0.00 0.00 175.10 175.23 1mzb s ILE 99 N 0.39 1.95 0.42 2.22 1.01 0.11 -4.97 121.20 122.32 1mzb s ILE 99 Ca -0.05 -1.06 -0.22 0.00 0.00 0.00 0.00 60.65 59.32 1mzb s ILE 99 Cb -0.15 -1.88 -0.10 0.00 0.01 0.00 0.00 42.46 40.34 1mzb s ILE 99 CO 0.03 0.35 0.97 -1.61 0.00 0.00 0.00 174.94 174.68 1mzb s GLU 100 N 1.29 4.23 0.16 2.79 2.02 -1.26 0.54 118.70 128.47 1mzb s GLU 100 Ca 0.01 1.21 -0.14 0.00 0.02 0.00 0.00 54.97 56.06 1mzb s GLU 100 Cb -0.15 -2.30 0.02 0.00 0.10 0.00 0.00 34.13 31.80 1mzb s GLU 100 CO -0.10 -0.03 0.41 -0.59 0.02 0.00 0.00 175.26 174.96 1mzb s PHE 101 N -2.03 -0.00 -0.21 1.61 -0.71 -0.81 -4.89 117.98 110.94 1mzb s PHE 101 Ca 0.60 -0.34 -0.04 0.00 -1.04 0.00 0.00 56.93 56.11 1mzb s PHE 101 Cb -0.12 0.21 0.11 0.00 -1.21 0.00 0.00 43.02 42.01 1mzb s PHE 101 CO 0.16 -0.78 0.33 1.41 -1.34 0.00 0.00 175.22 175.00 1mzb s MET 102 N -3.87 0.27 -0.30 1.99 1.75 -1.26 -0.32 119.30 117.56 1mzb s MET 102 Ca 0.09 0.56 -0.05 0.00 -1.25 0.00 0.00 55.69 55.04 1mzb s MET 102 Cb 0.01 -0.47 0.03 0.00 2.84 0.00 0.00 34.83 37.24 1mzb s MET 102 CO -0.06 -0.53 0.05 0.34 -0.65 0.00 0.00 175.02 174.17 1mzb s ASP 103 N 2.48 5.00 0.47 1.11 2.15 -1.26 -4.98 116.67 121.64 1mzb s ASP 103 Ca 0.07 -0.93 0.12 0.00 0.43 0.00 0.00 52.55 52.24 1mzb s ASP 103 Cb -0.14 -1.82 1.07 0.00 -0.30 0.00 0.00 42.92 41.73 1mzb s ASP 103 CO -0.13 -0.23 2.11 0.00 -0.17 0.00 0.00 175.17 176.75 1mzb h ALA 104 N 8.16 1.86 -0.22 3.66 0.00 -2.00 -1.82 119.26 128.90 1mzb h ALA 104 Ca -0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1mzb h ALA 104 Cb 1.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1mzb h ALA 104 CO 0.59 0.13 0.09 1.49 0.00 0.00 0.00 179.25 181.55 1mzb h GLU 105 N 0.27 0.34 -0.49 0.00 4.57 -1.99 -1.25 114.58 116.01 1mzb h GLU 105 Ca 0.07 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1mzb h GLU 105 Cb -0.03 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1mzb h GLU 105 CO -0.02 0.39 0.02 0.82 -1.18 0.00 0.00 179.01 179.05 1mzb h ILE 106 N 0.21 1.26 -0.83 2.32 2.04 -1.88 -0.63 117.51 120.01 1mzb h ILE 106 Ca 0.07 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 64.93 1mzb h ILE 106 Cb 0.18 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1mzb h ILE 106 CO -0.01 0.36 0.53 -0.33 0.00 0.00 0.00 178.15 178.71 1mzb h GLU 107 N 0.72 1.02 -0.06 2.37 4.39 -1.17 0.19 114.58 122.04 1mzb h GLU 107 Ca 0.14 -0.06 -0.19 0.00 0.34 0.00 0.00 59.36 59.59 1mzb h GLU 107 Cb 0.48 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1mzb h GLU 107 CO 0.02 0.68 -0.77 0.87 -1.16 0.00 0.00 179.01 178.65 1mzb h LYS 108 N 1.05 0.38 -0.68 2.33 1.57 -1.03 -2.73 116.57 117.46 1mzb h LYS 108 Ca 0.32 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1mzb h LYS 108 Cb -0.02 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1mzb h LYS 108 CO -0.10 0.98 0.12 -0.09 -0.57 0.00 0.00 179.45 179.79 1mzb h ARG 109 N 0.25 1.13 -0.52 3.15 9.65 -0.65 -0.81 114.38 126.58 1mzb h ARG 109 Ca -0.04 -0.30 0.02 0.00 -1.10 0.00 0.00 59.98 58.57 1mzb h ARG 109 Cb 1.36 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.77 1mzb h ARG 109 CO 0.13 1.02 0.31 1.96 2.80 0.00 0.00 179.97 186.19 1mzb h GLN 110 N 1.06 0.60 -0.78 0.20 4.20 -0.93 -0.90 115.11 118.55 1mzb h GLN 110 Ca 0.21 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1mzb h GLN 110 Cb 0.43 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 1mzb h GLN 110 CO 0.01 0.40 0.36 0.87 -0.67 0.00 0.00 178.83 179.80 1mzb h LYS 111 N 0.62 1.14 -0.40 1.46 1.57 -1.14 -2.33 116.57 117.49 1mzb h LYS 111 Ca 0.21 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1mzb h LYS 111 Cb 0.03 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1mzb h LYS 111 CO -0.10 0.89 0.12 1.49 -0.57 0.00 0.00 179.45 181.29 1mzb h GLU 112 N 1.11 0.62 -0.30 3.15 4.81 -0.78 0.52 114.58 123.71 1mzb h GLU 112 Ca 0.27 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1mzb h GLU 112 Cb 0.14 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1mzb h GLU 112 CO -0.03 0.63 0.14 0.82 -0.73 0.00 0.00 179.01 179.84 1mzb h ILE 113 N 0.50 0.98 -0.13 2.32 2.04 -1.05 -0.94 117.51 121.23 1mzb h ILE 113 Ca 0.13 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 1mzb h ILE 113 Cb 0.26 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1mzb h ILE 113 CO -0.00 0.05 -0.30 0.58 0.00 0.00 0.00 178.15 178.48 1mzb h VAL 114 N 0.30 1.37 -0.40 1.67 2.07 -1.32 -3.24 116.25 116.70 1mzb h VAL 114 Ca 0.13 -1.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.00 1mzb h VAL 114 Cb 0.05 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1mzb h VAL 114 CO -0.09 0.47 -0.05 0.03 0.02 0.00 0.00 177.57 177.94 1mzb h ARG 115 N 0.04 0.67 0.00 1.57 3.08 -0.80 -1.65 114.38 117.29 1mzb h ARG 115 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1mzb h ARG 115 Cb 0.90 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1mzb h ARG 115 CO 0.07 0.72 0.00 0.39 -1.07 0.00 0.00 179.97 180.08 1mzb n GLU 116 N -4.21 0.06 0.00 0.04 1.02 -0.37 -1.76 120.64 115.42 1mzb n GLU 116 Ca 0.02 0.18 0.10 0.00 -0.02 0.00 0.00 57.16 57.44 1mzb n GLU 116 Cb 0.31 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.26 1mzb n GLU 116 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1mzb n ARG 117 N -1.45 1.64 -0.34 3.49 1.74 -0.70 -4.97 116.66 116.06 1mzb n ARG 117 Ca 0.05 -1.29 0.00 0.00 -0.77 0.00 0.00 57.85 55.84 1mzb n ARG 117 Cb 0.19 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1mzb n ARG 117 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mzb n GLY 118 N 1.27 0.82 3.87 -0.13 0.00 -0.72 -5.08 105.19 105.22 1mzb n GLY 118 Ca 0.10 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1mzb n GLY 118 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mzb s PHE 119 N -2.00 2.51 -0.03 1.61 0.08 -0.71 -5.01 117.98 114.43 1mzb s PHE 119 Ca 0.00 -0.56 0.07 0.00 0.12 0.00 0.00 56.93 56.56 1mzb s PHE 119 Cb 0.00 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.32 1mzb s PHE 119 CO 0.00 -0.17 -0.25 -2.00 -0.10 0.00 0.00 175.22 172.70 1mzb s GLU 120 N -4.14 2.13 -0.34 0.44 2.12 -1.26 -3.69 118.70 113.96 1mzb s GLU 120 Ca 0.46 -0.90 -0.26 0.00 0.36 0.00 0.00 54.97 54.64 1mzb s GLU 120 Cb -0.02 -2.00 0.01 0.00 0.26 0.00 0.00 34.13 32.38 1mzb s GLU 120 CO 0.27 0.51 0.91 -1.17 -0.54 0.00 0.00 175.26 175.23 1mzb s LEU 121 N -0.50 4.02 -0.06 2.70 2.96 -1.26 -4.91 118.68 121.62 1mzb s LEU 121 Ca 0.07 0.71 -0.13 0.00 -0.22 0.00 0.00 54.13 54.56 1mzb s LEU 121 Cb -0.10 -3.25 -0.30 0.00 0.50 0.00 0.00 46.19 43.03 1mzb s LEU 121 CO -0.00 -0.77 0.65 0.58 -1.32 0.00 0.00 176.35 175.49 1mzb h VAL 122 N 5.72 1.00 -2.34 1.68 2.07 -2.03 -3.50 116.25 118.85 1mzb h VAL 122 Ca -0.23 -2.48 0.18 0.00 0.82 0.00 0.00 66.70 64.99 1mzb h VAL 122 Cb 1.08 2.78 -0.06 0.00 -1.52 0.00 0.00 31.29 33.56 1mzb h VAL 122 CO 0.96 0.80 0.55 -0.62 0.02 0.00 0.00 177.57 179.28 1mzb s ASP 123 N -7.21 -0.09 0.03 0.57 2.15 -1.26 -5.19 116.67 105.66 1mzb s ASP 123 Ca -0.17 -0.50 -0.28 0.00 0.43 0.00 0.00 52.55 52.04 1mzb s ASP 123 Cb 0.05 0.47 0.09 0.00 -0.30 0.00 0.00 42.92 43.23 1mzb s ASP 123 CO 0.83 -0.89 0.86 -1.38 -0.17 0.00 0.00 175.17 174.42 1mzb s HIS 124 N -2.77 -0.35 -0.04 -5.34 -3.43 -1.26 -5.15 115.29 96.94 1mzb s HIS 124 Ca 0.16 0.19 -0.00 0.00 -0.80 0.00 0.00 55.06 54.60 1mzb s HIS 124 Cb -0.01 0.55 0.03 0.00 -1.43 0.00 0.00 32.58 31.71 1mzb s HIS 124 CO 0.03 -0.61 0.01 1.21 -2.00 0.00 0.00 174.74 173.38 1mzb s ASN 125 N -2.55 0.86 -0.11 7.38 3.04 -1.26 -5.12 114.94 117.18 1mzb s ASN 125 Ca 0.05 -0.02 -0.00 0.00 0.04 0.00 0.00 52.86 52.93 1mzb s ASN 125 Cb -0.01 -0.26 0.02 0.00 -1.54 0.00 0.00 41.25 39.46 1mzb s ASN 125 CO -0.08 -0.15 -0.07 -0.22 -3.04 0.00 0.00 177.10 173.54 1mzb s LEU 126 N 1.47 1.15 -0.07 3.21 2.96 -1.26 -5.12 118.68 121.01 1mzb s LEU 126 Ca -0.03 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1mzb s LEU 126 Cb -0.13 -0.80 0.01 0.00 0.50 0.00 0.00 46.19 45.77 1mzb s LEU 126 CO -0.03 -0.12 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.04 1mzb s VAL 127 N 1.68 1.40 -0.23 1.68 1.01 -1.26 -2.47 120.40 122.21 1mzb s VAL 127 Ca 0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1mzb s VAL 127 Cb -0.13 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1mzb s VAL 127 CO -0.07 0.41 -0.03 -0.76 0.00 0.00 0.00 175.10 174.65 1mzb s LEU 128 N 0.48 2.97 -0.14 3.92 1.43 0.22 -5.01 118.68 122.55 1mzb s LEU 128 Ca -0.14 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.36 1mzb s LEU 128 Cb -0.16 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1mzb s LEU 128 CO 0.05 -0.03 0.50 -0.31 0.23 0.00 0.00 176.35 176.78 1mzb s TYR 129 N 1.48 3.47 0.26 0.29 2.02 -1.26 -0.61 117.35 123.00 1mzb s TYR 129 Ca 0.05 0.87 0.02 0.00 -0.37 0.00 0.00 57.07 57.64 1mzb s TYR 129 Cb -0.14 -2.60 -0.05 0.00 -0.40 0.00 0.00 41.96 38.76 1mzb s TYR 129 CO -0.03 0.08 0.08 0.14 -1.57 0.00 0.00 175.55 174.25 1mzb s VAL 130 N 0.96 0.70 -0.07 0.71 -7.23 0.37 -4.92 120.40 110.92 1mzb s VAL 130 Ca 0.26 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.36 1mzb s VAL 130 Cb -0.15 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.18 1mzb s VAL 130 CO 0.10 -0.04 0.19 -0.60 -0.31 0.00 0.00 175.10 174.44 1mzb s ARG 131 N -3.99 0.23 0.21 4.82 3.52 -1.26 -1.57 118.95 120.90 1mzb s ARG 131 Ca 0.36 0.27 -0.32 0.00 -0.13 0.00 0.00 55.73 55.92 1mzb s ARG 131 Cb 0.08 0.11 -0.11 0.00 -1.56 0.00 0.00 34.95 33.46 1mzb s ARG 131 CO 0.13 -0.03 1.67 -1.59 -0.81 0.00 0.00 175.30 174.67 1mzb s LYS 132 N 0.10 4.15 0.61 5.12 0.00 -1.26 -4.83 119.74 123.63 1mzb s LYS 132 Ca -0.00 2.54 0.34 0.00 0.00 0.00 0.00 55.97 58.85 1mzb s LYS 132 Cb -0.01 -3.09 1.99 0.00 0.00 0.00 0.00 37.83 36.71 1mzb s LYS 132 CO 0.00 -0.70 2.29 0.87 0.00 0.00 0.00 175.35 177.81 1mzb h LYS 133 N 6.58 0.00 -0.00 1.78 1.79 -2.07 -3.54 116.57 121.11 1mzb h LYS 133 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1mzb h LYS 133 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1mzb h LYS 133 CO 0.93 0.00 0.00 0.36 -1.08 0.00 0.00 179.45 179.66