#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z9p s LYS 24 N 0.00 0.23 -0.04 3.44 -2.85 -1.26 -4.52 119.74 114.74 1z9p s LYS 24 Ca 0.00 -0.22 -0.28 0.00 -1.00 0.00 0.00 55.97 54.47 1z9p s LYS 24 Cb 0.00 -0.15 -0.03 0.00 -2.06 0.00 0.00 37.83 35.59 1z9p s LYS 24 CO 0.00 0.03 0.90 0.42 0.10 0.00 0.00 175.35 176.81 1z9p s ILE 25 N -0.38 4.90 -0.40 3.79 1.01 -0.02 -4.87 121.20 125.24 1z9p s ILE 25 Ca -0.03 1.88 -0.14 0.00 0.00 0.00 0.00 60.65 62.37 1z9p s ILE 25 Cb -0.03 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.23 1z9p s ILE 25 CO -0.00 0.15 0.27 -0.69 0.00 0.00 0.00 174.94 174.67 1z9p s VAL 26 N 1.16 5.01 -0.36 2.92 1.01 -1.26 -0.82 120.40 128.05 1z9p s VAL 26 Ca 0.47 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1z9p s VAL 26 Cb -0.20 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 1z9p s VAL 26 CO 0.23 -0.29 0.33 -0.69 0.00 0.00 0.00 175.10 174.69 1z9p s VAL 27 N 1.63 5.20 0.16 2.92 1.01 0.41 -4.90 120.40 126.83 1z9p s VAL 27 Ca 0.04 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1z9p s VAL 27 Cb -0.19 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 1z9p s VAL 27 CO 0.09 -0.15 1.27 -2.84 0.00 0.00 0.00 175.10 173.46 1z9p s PRO 28 N 1.91 4.42 -0.02 2.72 0.02 -1.26 -1.16 135.00 141.64 1z9p s PRO 28 Ca 0.09 1.95 0.08 0.00 0.02 0.00 0.00 61.00 63.14 1z9p s PRO 28 Cb -0.17 -3.24 -0.02 0.00 0.02 0.00 0.00 34.50 31.09 1z9p s PRO 28 CO 0.11 -0.22 -0.26 0.08 -0.33 0.00 0.00 177.00 176.38 1z9p s VAL 29 N 0.35 2.02 0.07 3.83 1.01 -0.07 -4.21 120.40 123.40 1z9p s VAL 29 Ca 0.57 -1.10 0.09 0.00 0.00 0.00 0.00 61.98 61.54 1z9p s VAL 29 Cb -0.34 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1z9p s VAL 29 CO 0.35 0.56 -0.26 -1.10 0.00 0.00 0.00 175.10 174.65 1z9p s GLN 30 N -0.63 1.62 0.15 2.72 -0.21 -0.48 -1.75 119.66 121.09 1z9p s GLN 30 Ca 0.10 -1.15 -0.30 0.00 0.02 0.00 0.00 55.36 54.02 1z9p s GLN 30 Cb -0.10 -1.88 -0.07 0.00 1.00 0.00 0.00 33.01 31.96 1z9p s GLN 30 CO -0.01 0.47 1.18 -1.14 -2.12 0.00 0.00 175.29 173.68 1z9p s GLN 31 N -1.47 4.49 -0.14 2.91 0.74 0.64 -0.93 119.66 125.89 1z9p s GLN 31 Ca 0.12 1.82 -0.19 0.00 0.05 0.00 0.00 55.36 57.16 1z9p s GLN 31 Cb -0.10 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.70 1z9p s GLN 31 CO 0.03 -0.11 0.53 -0.51 -0.55 0.00 0.00 175.29 174.68 1z9p s LEU 32 N 0.10 4.24 -0.31 3.68 1.43 0.00 -1.37 118.68 126.45 1z9p s LEU 32 Ca 0.54 0.83 -0.00 0.00 -1.03 0.00 0.00 54.13 54.47 1z9p s LEU 32 Cb -0.31 -2.76 0.14 0.00 0.03 0.00 0.00 46.19 43.28 1z9p s LEU 32 CO 0.34 -0.08 0.29 -0.62 0.23 0.00 0.00 176.35 176.51 1z9p s ASP 33 N 0.82 1.91 0.52 2.29 -1.08 -1.26 -4.95 116.67 114.92 1z9p s ASP 33 Ca 0.27 -1.14 0.26 0.00 -0.52 0.00 0.00 52.55 51.43 1z9p s ASP 33 Cb -0.16 0.33 1.43 0.00 -1.46 0.00 0.00 42.92 43.06 1z9p s ASP 33 CO 0.11 -0.36 2.07 -0.65 0.52 0.00 0.00 175.17 176.86 1z9p h PRO 34 N 7.90 0.00 0.00 4.34 0.11 -1.93 0.19 132.00 142.62 1z9p h PRO 34 Ca -0.08 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 1z9p h PRO 34 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1z9p h PRO 34 CO 0.31 0.12 -0.20 1.96 -0.21 0.00 0.00 178.00 179.98 1z9p h GLN 35 N 0.00 0.00 -0.00 1.05 1.08 -1.96 -3.40 115.11 111.88 1z9p h GLN 35 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1z9p h GLN 35 Cb 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1z9p h GLN 35 CO 0.02 0.98 -0.69 0.09 -0.95 0.00 0.00 178.83 178.27 1z9p n ASN 36 N -4.59 0.95 0.00 1.46 3.02 -1.19 -5.08 115.26 109.84 1z9p n ASN 36 Ca -0.13 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1z9p n ASN 36 Cb 0.50 0.90 0.00 0.00 -0.61 0.00 0.00 39.78 40.57 1z9p n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1z9p n GLY 37 N 1.35 2.34 3.59 7.41 0.00 0.67 -5.03 105.19 115.52 1z9p n GLY 37 Ca 0.04 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 1z9p n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1z9p n ASN 38 N 0.00 -0.11 -4.19 1.61 3.02 -1.23 -4.35 115.26 110.02 1z9p n ASN 38 Ca 0.00 0.52 -0.29 0.00 -0.03 0.00 0.00 54.58 54.78 1z9p n ASN 38 Cb 0.00 -1.39 -0.16 0.00 -0.61 0.00 0.00 39.78 37.62 1z9p n ASN 38 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1z9p s LYS 39 N -3.77 2.38 0.27 3.52 2.20 -0.47 -4.95 119.74 118.93 1z9p s LYS 39 Ca 0.68 -0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 55.22 1z9p s LYS 39 Cb -0.28 -1.95 -0.12 0.00 -1.51 0.00 0.00 37.83 33.97 1z9p s LYS 39 CO 0.56 0.25 1.64 -0.51 -0.36 0.00 0.00 175.35 176.93 1z9p s ASP 40 N 0.12 6.36 -0.07 1.43 1.01 -1.26 -0.26 116.67 123.99 1z9p s ASP 40 Ca -0.09 2.95 0.10 0.00 0.71 0.00 0.00 52.55 56.21 1z9p s ASP 40 Cb -0.15 -2.63 0.15 0.00 1.01 0.00 0.00 42.92 41.31 1z9p s ASP 40 CO 0.05 -0.94 1.04 1.33 0.21 0.00 0.00 175.17 176.85 1z9p n VAL 41 N 2.66 1.14 0.00 -1.27 0.24 -0.71 -4.81 118.33 115.58 1z9p n VAL 41 Ca 0.10 -1.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 1z9p n VAL 41 Cb 0.37 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1z9p n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1z9p n GLY 42 N -0.83 0.09 3.22 7.63 0.00 -1.23 -0.77 105.19 113.32 1z9p n GLY 42 Ca 0.08 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 1z9p n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1z9p s THR 43 N 0.00 0.63 -0.09 2.61 -4.23 -0.71 -0.89 115.64 112.96 1z9p s THR 43 Ca 0.00 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 58.58 1z9p s THR 43 Cb 0.00 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.80 1z9p s THR 43 CO 0.00 -0.54 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.64 1z9p s VAL 44 N -3.68 1.80 -0.15 2.29 1.01 -0.31 0.11 120.40 121.47 1z9p s VAL 44 Ca 0.22 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1z9p s VAL 44 Cb 0.06 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1z9p s VAL 44 CO 0.02 0.50 0.25 -1.61 0.00 0.00 0.00 175.10 174.27 1z9p s GLU 45 N 0.40 4.13 -0.18 2.72 2.02 -0.07 -0.44 118.70 127.28 1z9p s GLU 45 Ca -0.17 0.03 -0.02 0.00 0.02 0.00 0.00 54.97 54.83 1z9p s GLU 45 Cb -0.17 -3.38 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 1z9p s GLU 45 CO 0.07 0.34 -0.10 0.42 0.02 0.00 0.00 175.26 176.02 1z9p s ILE 46 N 0.17 3.08 0.26 -1.63 1.01 -0.00 -0.45 121.20 123.62 1z9p s ILE 46 Ca 0.15 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.26 1z9p s ILE 46 Cb -0.13 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 1z9p s ILE 46 CO 0.03 0.48 -0.10 0.42 0.00 0.00 0.00 174.94 175.78 1z9p s THR 47 N 1.00 1.74 -0.19 2.92 -4.23 -0.54 -0.84 115.64 115.50 1z9p s THR 47 Ca -0.01 -2.17 -0.13 0.00 -1.18 0.00 0.00 61.69 58.20 1z9p s THR 47 Cb -0.15 -2.31 -0.05 0.00 1.34 0.00 0.00 72.50 71.33 1z9p s THR 47 CO -0.01 -0.40 0.26 -1.61 -0.54 0.00 0.00 174.62 172.32 1z9p s GLU 48 N -3.68 4.19 0.46 3.99 2.02 -1.26 -0.49 118.70 123.93 1z9p s GLU 48 Ca 0.27 -0.01 0.06 0.00 0.02 0.00 0.00 54.97 55.31 1z9p s GLU 48 Cb 0.02 -3.47 -0.01 0.00 0.10 0.00 0.00 34.13 30.76 1z9p s GLU 48 CO 0.11 0.15 0.28 -1.54 0.02 0.00 0.00 175.26 174.27 1z9p s SER 49 N 0.70 4.59 0.00 -0.19 1.04 -0.46 -4.94 113.70 114.45 1z9p s SER 49 Ca 0.14 -1.11 0.14 0.00 0.48 0.00 0.00 55.95 55.59 1z9p s SER 49 Cb -0.13 -0.14 0.63 0.00 0.10 0.00 0.00 66.02 66.47 1z9p s SER 49 CO 0.04 -0.76 1.40 0.00 0.98 0.00 0.00 173.24 174.90 1z9p n ALA 50 N -1.46 1.69 -0.29 5.32 0.00 -1.26 -2.69 120.51 121.82 1z9p n ALA 50 Ca -0.02 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.39 1z9p n ALA 50 Cb 0.64 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.90 1z9p n ALA 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1z9p n TYR 51 N -1.41 0.00 0.00 0.00 4.02 -1.26 -5.11 117.16 113.40 1z9p n TYR 51 Ca 0.05 -0.56 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 1z9p n TYR 51 Cb 0.14 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 1z9p n TYR 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1z9p n GLY 52 N -0.64 0.74 3.73 2.72 0.00 -1.10 -4.28 105.19 106.36 1z9p n GLY 52 Ca 0.03 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.39 1z9p n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1z9p s LEU 53 N 0.00 4.47 -0.15 0.99 1.43 -0.18 -1.35 118.68 123.89 1z9p s LEU 53 Ca 0.00 1.99 -0.06 0.00 -1.03 0.00 0.00 54.13 55.03 1z9p s LEU 53 Cb 0.00 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1z9p s LEU 53 CO 0.00 -0.21 0.04 -0.69 0.23 0.00 0.00 176.35 175.72 1z9p s VAL 54 N 0.03 4.65 -0.35 -1.59 1.01 0.36 -0.67 120.40 123.82 1z9p s VAL 54 Ca 0.50 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.33 1z9p s VAL 54 Cb -0.28 -3.05 0.06 0.00 0.00 0.00 0.00 36.38 33.11 1z9p s VAL 54 CO 0.33 0.51 0.12 -0.36 0.00 0.00 0.00 175.10 175.69 1z9p s PHE 55 N -0.01 3.32 -0.41 5.22 0.40 0.18 -1.46 117.98 125.22 1z9p s PHE 55 Ca 0.05 -1.69 -0.07 0.00 -0.60 0.00 0.00 56.93 54.62 1z9p s PHE 55 Cb -0.12 -2.47 0.08 0.00 0.51 0.00 0.00 43.02 41.02 1z9p s PHE 55 CO 0.01 -0.80 0.23 0.99 0.70 0.00 0.00 175.22 176.35 1z9p s THR 56 N 1.33 3.93 0.47 0.64 2.01 0.40 -1.18 115.64 123.25 1z9p s THR 56 Ca -0.00 -1.55 -0.21 0.00 0.31 0.00 0.00 61.69 60.24 1z9p s THR 56 Cb -0.21 -3.46 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 1z9p s THR 56 CO 0.01 -0.52 1.06 -2.84 -0.69 0.00 0.00 174.62 171.63 1z9p s PRO 57 N 1.35 3.82 -0.43 4.92 0.02 -1.26 -0.89 135.00 142.54 1z9p s PRO 57 Ca 0.03 1.44 0.08 0.00 0.02 0.00 0.00 61.00 62.57 1z9p s PRO 57 Cb -0.23 -2.19 0.26 0.00 0.02 0.00 0.00 34.50 32.37 1z9p s PRO 57 CO 0.00 -0.42 0.58 1.63 -0.33 0.00 0.00 177.00 178.46 1z9p n LYS 58 N -0.80 1.03 -4.30 5.54 5.02 0.12 -4.04 118.16 120.73 1z9p n LYS 58 Ca 0.09 -3.47 -0.25 0.00 -2.02 0.00 0.00 58.31 52.66 1z9p n LYS 58 Cb 0.52 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 34.03 1z9p n LYS 58 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1z9p s LEU 59 N -1.51 3.07 0.06 -0.35 1.43 -0.75 -1.74 118.68 118.90 1z9p s LEU 59 Ca 0.36 -0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1z9p s LEU 59 Cb 0.18 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 1z9p s LEU 59 CO -0.09 0.05 0.08 -1.38 0.23 0.00 0.00 176.35 175.23 1z9p s HIS 60 N -2.05 0.31 -1.36 0.29 -3.43 0.05 -1.58 115.29 107.53 1z9p s HIS 60 Ca 0.28 -0.76 0.00 0.00 -0.80 0.00 0.00 55.06 53.78 1z9p s HIS 60 Cb -0.07 -0.21 0.00 0.00 -1.43 0.00 0.00 32.58 30.86 1z9p s HIS 60 CO 0.18 -0.44 0.00 -0.25 -2.00 0.00 0.00 174.74 172.23 1z9p n ASP 61 N 0.20 -4.71 -4.90 7.38 8.00 -0.78 -4.67 116.55 117.07 1z9p n ASP 61 Ca -0.16 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.14 1z9p n ASP 61 Cb 0.61 -3.83 -0.03 0.00 -0.02 0.00 0.00 41.12 37.85 1z9p n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1z9p s LEU 62 N -4.48 3.96 0.09 0.64 1.43 -0.29 -5.05 118.68 114.99 1z9p s LEU 62 Ca 0.00 -0.18 -0.31 0.00 -1.03 0.00 0.00 54.13 52.61 1z9p s LEU 62 Cb 0.00 -2.55 -0.08 0.00 0.03 0.00 0.00 46.19 43.59 1z9p s LEU 62 CO 0.00 -0.17 1.45 0.00 0.23 0.00 0.00 176.35 177.85 1z9p s ALA 63 N -2.12 3.62 0.49 4.21 0.00 -1.26 -4.22 121.76 122.47 1z9p s ALA 63 Ca 0.37 1.11 -0.23 0.00 0.00 0.00 0.00 51.96 53.21 1z9p s ALA 63 Cb -0.08 -3.58 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 1z9p s ALA 63 CO 0.28 -0.75 1.32 1.58 0.00 0.00 0.00 175.76 178.18 1z9p n HIS 64 N 4.44 2.23 0.00 0.00 -0.00 -1.26 -4.74 115.22 115.89 1z9p n HIS 64 Ca 0.13 0.45 0.00 0.00 0.46 0.00 0.00 57.72 58.76 1z9p n HIS 64 Cb 0.42 -2.37 0.00 0.00 -0.12 0.00 0.00 29.99 27.92 1z9p n HIS 64 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1z9p n GLY 65 N 0.77 0.83 3.63 1.57 0.00 -0.16 -4.94 105.19 106.89 1z9p n GLY 65 Ca 0.08 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.62 1z9p n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1z9p s LEU 66 N 0.00 3.98 -0.04 0.99 2.96 -1.26 -0.11 118.68 125.20 1z9p s LEU 66 Ca 0.00 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.04 1z9p s LEU 66 Cb 0.00 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 1z9p s LEU 66 CO 0.00 0.08 -0.23 -1.00 -1.32 0.00 0.00 176.35 173.88 1z9p s HIS 67 N 0.96 2.16 0.25 5.38 3.76 0.12 -3.84 115.29 124.09 1z9p s HIS 67 Ca 0.06 -0.52 -0.31 0.00 -0.15 0.00 0.00 55.06 54.14 1z9p s HIS 67 Cb -0.13 -1.41 -0.13 0.00 1.11 0.00 0.00 32.58 32.01 1z9p s HIS 67 CO 0.03 -0.12 1.38 0.41 -0.85 0.00 0.00 174.74 175.60 1z9p n GLY 68 N 2.75 0.71 2.62 -2.22 0.00 0.27 -0.82 105.19 108.51 1z9p n GLY 68 Ca -0.17 0.47 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 1z9p n GLY 68 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1z9p s PHE 69 N -0.20 0.26 0.04 1.61 5.36 -1.26 -0.53 117.98 123.26 1z9p s PHE 69 Ca 0.67 -0.33 -0.02 0.00 -0.96 0.00 0.00 56.93 56.28 1z9p s PHE 69 Cb -0.65 -0.71 -0.02 0.00 -0.34 0.00 0.00 43.02 41.30 1z9p s PHE 69 CO 0.51 -0.50 0.02 -1.01 -1.46 0.00 0.00 175.22 172.78 1z9p s HIS 70 N 2.12 0.32 -0.18 10.12 3.76 -0.41 -2.65 115.29 128.36 1z9p s HIS 70 Ca 0.02 -0.68 -0.20 0.00 -0.15 0.00 0.00 55.06 54.04 1z9p s HIS 70 Cb -0.16 -0.23 -0.03 0.00 1.11 0.00 0.00 32.58 33.27 1z9p s HIS 70 CO -0.09 -0.31 0.60 0.42 -0.85 0.00 0.00 174.74 174.51 1z9p s ILE 71 N -2.64 5.06 0.31 0.60 1.01 0.11 -0.35 121.20 125.30 1z9p s ILE 71 Ca -0.05 1.14 0.07 0.00 0.00 0.00 0.00 60.65 61.81 1z9p s ILE 71 Cb -0.01 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 1z9p s ILE 71 CO -0.05 0.15 0.35 -1.00 0.00 0.00 0.00 174.94 174.40 1z9p s HIS 72 N 1.65 3.09 0.02 3.97 3.76 0.41 -0.94 115.29 127.26 1z9p s HIS 72 Ca 0.28 -0.20 -0.22 0.00 -0.15 0.00 0.00 55.06 54.76 1z9p s HIS 72 Cb -0.16 -1.78 -0.16 0.00 1.11 0.00 0.00 32.58 31.59 1z9p s HIS 72 CO 0.11 0.20 1.34 1.49 -0.85 0.00 0.00 174.74 177.03 1z9p h GLU 73 N 1.14 0.22 -6.21 1.40 4.81 -0.84 -2.40 114.58 112.70 1z9p h GLU 73 Ca -0.47 -0.11 -0.58 0.00 -0.13 0.00 0.00 59.36 58.08 1z9p h GLU 73 Cb 1.25 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 1z9p h GLU 73 CO 0.57 0.61 -0.18 0.15 -0.73 0.00 0.00 179.01 179.43 1z9p s LYS 74 N -4.41 3.83 -1.52 1.92 1.02 -0.19 -4.51 119.74 115.89 1z9p s LYS 74 Ca -0.15 0.28 -0.12 0.00 0.02 0.00 0.00 55.97 56.00 1z9p s LYS 74 Cb 0.04 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.40 1z9p s LYS 74 CO 0.72 0.51 2.55 -0.35 -0.92 0.00 0.00 175.35 177.86 1z9p n PRO 75 N 0.74 3.34 -3.69 -1.68 -0.04 -1.25 -3.19 135.00 129.23 1z9p n PRO 75 Ca -0.06 -2.50 -0.14 0.00 -0.04 0.00 0.00 63.50 60.76 1z9p n PRO 75 Cb 0.52 -3.03 -0.09 0.00 -0.04 0.00 0.00 33.50 30.86 1z9p n PRO 75 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1z9p s SER 76 N 2.53 -0.48 -0.12 3.54 0.15 -1.26 -4.98 113.70 113.08 1z9p s SER 76 Ca 0.57 0.84 0.15 0.00 0.70 0.00 0.00 55.95 58.21 1z9p s SER 76 Cb 0.16 0.86 0.32 0.00 -1.71 0.00 0.00 66.02 65.65 1z9p s SER 76 CO -0.07 -0.26 1.22 0.00 1.20 0.00 0.00 173.24 175.33 1z9p s GLU 78 N -2.45 3.02 0.73 0.00 0.41 -1.26 -4.05 118.70 115.11 1z9p s GLU 78 Ca 0.30 1.08 -0.10 0.00 -0.41 0.00 0.00 54.97 55.84 1z9p s GLU 78 Cb 0.25 -2.00 0.05 0.00 -1.78 0.00 0.00 34.13 30.65 1z9p s GLU 78 CO 0.05 -1.04 1.09 -1.25 -0.49 0.00 0.00 175.26 173.63 1z9p s PRO 79 N -4.63 2.39 0.01 0.39 0.04 -1.26 0.12 135.00 132.06 1z9p s PRO 79 Ca 0.61 0.14 -0.02 0.00 0.04 0.00 0.00 61.00 61.77 1z9p s PRO 79 Cb -0.15 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1z9p s PRO 79 CO 0.48 -1.26 0.01 0.15 0.04 0.00 0.00 177.00 176.41 1z9p s LYS 80 N -5.39 0.31 0.19 4.56 1.02 -0.98 -4.28 119.74 115.17 1z9p s LYS 80 Ca 0.60 -0.48 -0.30 0.00 0.02 0.00 0.00 55.97 55.80 1z9p s LYS 80 Cb -0.11 0.12 -0.08 0.00 -0.52 0.00 0.00 37.83 37.24 1z9p s LYS 80 CO 0.49 -0.06 1.05 -1.21 -0.92 0.00 0.00 175.35 174.70 1z9p s GLU 81 N -1.25 4.66 -0.08 1.68 2.02 -1.25 -0.50 118.70 123.98 1z9p s GLU 81 Ca -0.14 1.64 -0.07 0.00 0.02 0.00 0.00 54.97 56.43 1z9p s GLU 81 Cb -0.08 -3.29 0.02 0.00 0.10 0.00 0.00 34.13 30.88 1z9p s GLU 81 CO -0.00 0.18 0.21 0.21 0.02 0.00 0.00 175.26 175.88 1z9p s LYS 82 N -0.54 0.24 -1.50 1.61 2.20 0.31 -4.88 119.74 117.18 1z9p s LYS 82 Ca 0.47 0.31 -0.04 0.00 -0.36 0.00 0.00 55.97 56.35 1z9p s LYS 82 Cb -0.28 0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.14 1z9p s LYS 82 CO 0.34 -0.04 0.11 -0.25 -0.36 0.00 0.00 175.35 175.15 1z9p n ASP 83 N 3.10 0.29 0.00 1.43 8.00 -1.26 0.17 116.55 128.29 1z9p n ASP 83 Ca -0.14 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1z9p n ASP 83 Cb 0.58 -1.71 0.00 0.00 -0.02 0.00 0.00 41.12 39.97 1z9p n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1z9p n GLY 84 N -2.49 0.72 3.42 0.44 0.00 -1.26 -5.01 105.19 101.01 1z9p n GLY 84 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1z9p n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1z9p s LYS 85 N -0.24 2.78 -0.60 1.61 1.02 0.13 -5.08 119.74 119.37 1z9p s LYS 85 Ca 0.00 -0.72 -0.28 0.00 0.02 0.00 0.00 55.97 54.99 1z9p s LYS 85 Cb 0.00 -2.43 0.03 0.00 -0.52 0.00 0.00 37.83 34.91 1z9p s LYS 85 CO 0.00 0.47 1.20 -1.17 -0.92 0.00 0.00 175.35 174.93 1z9p s LEU 86 N -0.33 3.42 -0.19 3.17 2.96 -1.26 0.12 118.68 126.57 1z9p s LEU 86 Ca 0.03 0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.93 1z9p s LEU 86 Cb -0.13 -3.09 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 1z9p s LEU 86 CO 0.02 -1.52 -0.02 -0.69 -1.32 0.00 0.00 176.35 172.82 1z9p s VAL 87 N 5.04 3.79 0.13 1.68 1.01 0.35 -4.91 120.40 127.48 1z9p s VAL 87 Ca 0.42 -0.37 -0.34 0.00 0.00 0.00 0.00 61.98 61.68 1z9p s VAL 87 Cb -0.08 -2.70 -0.14 0.00 0.00 0.00 0.00 36.38 33.46 1z9p s VAL 87 CO 0.24 0.45 1.57 0.00 0.00 0.00 0.00 175.10 177.36 1z9p n ALA 88 N 4.14 1.01 -0.84 5.51 0.00 -1.26 -2.31 120.51 126.76 1z9p n ALA 88 Ca -0.17 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1z9p n ALA 88 Cb 0.52 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1z9p n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1z9p n GLY 89 N 3.39 1.17 0.26 0.00 0.00 -1.22 -4.48 105.19 104.31 1z9p n GLY 89 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1z9p n GLY 89 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1z9p h LEU 90 N 0.00 0.00 -2.31 0.99 3.38 -1.45 -2.04 115.31 113.88 1z9p h LEU 90 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1z9p h LEU 90 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1z9p h LEU 90 CO 0.00 0.11 0.23 1.23 0.09 0.00 0.00 178.44 180.10 1z9p h GLY 91 N 0.77 0.00 2.00 0.83 0.00 -0.50 -1.45 103.07 104.71 1z9p h GLY 91 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1z9p h GLY 91 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1z9p n ALA 92 N -1.97 1.78 -0.46 3.60 0.00 -0.77 -4.62 120.51 118.07 1z9p n ALA 92 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1z9p n ALA 92 Cb 0.29 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1z9p n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1z9p n GLY 93 N 0.26 -0.56 1.24 0.00 0.00 -0.55 -1.02 105.19 104.57 1z9p n GLY 93 Ca 0.03 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 1z9p n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z9p n GLY 94 N 0.00 -0.47 3.77 -0.02 0.00 -1.26 -4.66 105.19 102.55 1z9p n GLY 94 Ca 0.00 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 1z9p n GLY 94 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1z9p s HIS 95 N -1.50 2.73 -0.01 1.61 3.76 -1.26 -0.78 115.29 119.83 1z9p s HIS 95 Ca 0.23 1.37 -0.30 0.00 -0.15 0.00 0.00 55.06 56.21 1z9p s HIS 95 Cb -0.01 -3.74 -0.06 0.00 1.11 0.00 0.00 32.58 29.89 1z9p s HIS 95 CO 0.16 -2.31 1.50 -0.46 -0.85 0.00 0.00 174.74 172.77 1z9p s TRP 96 N -1.24 2.57 -0.41 1.40 -0.00 -0.11 -4.51 118.94 116.64 1z9p s TRP 96 Ca 0.58 0.59 0.09 0.00 -0.00 0.00 0.00 56.10 57.37 1z9p s TRP 96 Cb -0.40 -3.77 0.32 0.00 -0.00 0.00 0.00 33.47 29.63 1z9p s TRP 96 CO 0.51 -2.99 0.83 -3.47 -0.00 0.00 0.00 176.95 171.83 1z9p n ASP 97 N 5.89 -0.45 0.19 5.86 2.03 -1.26 -1.63 116.55 127.18 1z9p n ASP 97 Ca 0.15 -3.19 0.05 0.00 0.52 0.00 0.00 54.79 52.32 1z9p n ASP 97 Cb 0.43 0.30 0.51 0.00 -0.72 0.00 0.00 41.12 41.64 1z9p n ASP 97 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1z9p h PRO 98 N 3.21 0.11 -0.05 -0.67 0.13 -1.98 -1.66 132.00 131.09 1z9p h PRO 98 Ca 0.02 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1z9p h PRO 98 Cb 1.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1z9p h PRO 98 CO 0.38 0.18 0.00 1.63 -0.23 0.00 0.00 178.00 179.96 1z9p n LYS 99 N -4.40 1.54 -3.69 0.86 5.02 -1.26 -4.96 118.16 111.27 1z9p n LYS 99 Ca -0.02 -0.79 -0.24 0.00 -2.02 0.00 0.00 58.31 55.25 1z9p n LYS 99 Cb 0.18 -1.45 0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1z9p n LYS 99 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1z9p n GLN 100 N -0.03 -3.59 0.17 1.97 1.13 -0.63 -4.91 117.38 111.50 1z9p n GLN 100 Ca 0.19 0.57 0.05 0.00 -1.94 0.00 0.00 57.00 55.87 1z9p n GLN 100 Cb 0.29 -4.89 0.19 0.00 0.11 0.00 0.00 30.24 25.94 1z9p n GLN 100 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1z9p h THR 101 N -1.80 0.75 -5.21 5.09 1.35 -1.88 -3.47 112.91 107.73 1z9p h THR 101 Ca -0.63 -1.78 -0.39 0.00 -0.55 0.00 0.00 66.41 63.07 1z9p h THR 101 Cb 1.36 2.16 -0.04 0.00 -1.73 0.00 0.00 68.15 69.90 1z9p h THR 101 CO 0.54 0.38 -0.57 0.00 -0.25 0.00 0.00 175.52 175.62 1z9p n GLN 102 N -3.31 -3.84 -3.71 4.72 3.00 -1.26 -4.95 117.38 108.02 1z9p n GLN 102 Ca 0.01 0.59 -0.14 0.00 -0.01 0.00 0.00 57.00 57.45 1z9p n GLN 102 Cb 0.61 -5.34 -0.14 0.00 0.00 0.00 0.00 30.24 25.37 1z9p n GLN 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1z9p s LYS 103 N -5.94 0.10 0.20 -1.09 2.20 -1.26 -5.08 119.74 108.86 1z9p s LYS 103 Ca 0.38 0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 56.19 1z9p s LYS 103 Cb -0.19 -0.18 -0.08 0.00 -1.51 0.00 0.00 37.83 35.86 1z9p s LYS 103 CO 0.47 -0.22 0.96 -1.58 -0.36 0.00 0.00 175.35 174.62 1z9p s HIS 104 N 1.67 3.89 0.00 4.03 5.65 -1.26 -1.24 115.29 128.03 1z9p s HIS 104 Ca -0.04 1.85 0.00 0.00 0.25 0.00 0.00 55.06 57.12 1z9p s HIS 104 Cb -0.12 -3.03 0.00 0.00 -1.18 0.00 0.00 32.58 28.25 1z9p s HIS 104 CO -0.07 0.27 0.00 0.41 -0.65 0.00 0.00 174.74 174.71 1z9p n GLY 105 N 1.76 3.04 3.85 1.59 0.00 -1.26 -4.06 105.19 110.11 1z9p n GLY 105 Ca -0.00 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 1z9p n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1z9p s TYR 106 N -1.87 3.39 0.54 1.61 1.51 -1.26 -4.63 117.35 116.65 1z9p s TYR 106 Ca 0.00 1.33 0.36 0.00 -1.01 0.00 0.00 57.07 57.76 1z9p s TYR 106 Cb 0.00 -2.65 1.97 0.00 -0.11 0.00 0.00 41.96 41.17 1z9p s TYR 106 CO 0.00 -0.10 2.24 -1.35 -1.11 0.00 0.00 175.55 175.23 1z9p h PRO 107 N 1.66 0.00 -0.53 -1.71 0.11 -1.87 -1.98 132.00 127.68 1z9p h PRO 107 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1z9p h PRO 107 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1z9p h PRO 107 CO 0.63 0.02 0.00 -2.67 -0.21 0.00 0.00 178.00 175.77 1z9p n TRP 108 N -3.40 1.04 -4.11 0.65 2.14 -1.26 -4.27 117.44 108.22 1z9p n TRP 108 Ca -0.02 -0.59 -0.34 0.00 2.07 0.00 0.00 57.50 58.61 1z9p n TRP 108 Cb 0.13 -0.15 -0.11 0.00 -0.81 0.00 0.00 31.31 30.37 1z9p n TRP 108 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1z9p s SER 109 N -1.09 5.23 0.00 -0.67 0.15 -0.74 -4.98 113.70 111.60 1z9p s SER 109 Ca 0.42 -0.05 0.26 0.00 0.70 0.00 0.00 55.95 57.29 1z9p s SER 109 Cb 0.26 -1.89 1.48 0.00 -1.71 0.00 0.00 66.02 64.16 1z9p s SER 109 CO 0.22 0.14 1.91 0.47 1.20 0.00 0.00 173.24 177.17 1z9p n ASP 110 N 3.76 0.00 -0.64 5.45 8.00 -1.26 -2.69 116.55 129.16 1z9p n ASP 110 Ca -0.17 -0.57 0.12 0.00 0.71 0.00 0.00 54.79 54.89 1z9p n ASP 110 Cb 0.52 -0.10 0.38 0.00 -0.02 0.00 0.00 41.12 41.90 1z9p n ASP 110 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1z9p n ASP 111 N -1.10 1.97 -4.72 -2.24 8.00 -1.26 -4.96 116.55 112.23 1z9p n ASP 111 Ca 0.17 -1.70 -0.23 0.00 0.71 0.00 0.00 54.79 53.75 1z9p n ASP 111 Cb 0.13 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 1z9p n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1z9p s ALA 112 N -1.86 3.39 0.33 2.24 0.00 -1.10 -4.46 121.76 120.30 1z9p s ALA 112 Ca 0.35 -1.65 -0.28 0.00 0.00 0.00 0.00 51.96 50.37 1z9p s ALA 112 Cb 0.20 -0.90 -0.13 0.00 0.00 0.00 0.00 23.12 22.29 1z9p s ALA 112 CO 0.30 0.19 1.27 0.72 0.00 0.00 0.00 175.76 178.24 1z9p n HIS 113 N -1.05 2.17 0.26 0.00 8.25 -0.38 -4.84 115.22 119.63 1z9p n HIS 113 Ca -0.06 0.56 0.14 0.00 -0.26 0.00 0.00 57.72 58.10 1z9p n HIS 113 Cb 0.59 -2.40 0.83 0.00 1.12 0.00 0.00 29.99 30.13 1z9p n HIS 113 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1z9p h MET 114 N 2.64 0.00 0.00 -0.41 4.05 -1.87 -1.93 114.93 117.41 1z9p h MET 114 Ca -0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1z9p h MET 114 Cb 1.29 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1z9p h MET 114 CO 0.63 0.00 0.00 0.41 0.23 0.00 0.00 176.91 178.18 1z9p n GLY 115 N -1.40 -0.89 3.60 1.39 0.00 -0.64 -4.82 105.19 102.43 1z9p n GLY 115 Ca -0.02 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1z9p n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1z9p s ASP 116 N -2.03 6.66 0.30 1.61 1.01 -0.73 -0.71 116.67 122.78 1z9p s ASP 116 Ca 0.41 0.52 0.08 0.00 0.71 0.00 0.00 52.55 54.26 1z9p s ASP 116 Cb 0.19 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 1z9p s ASP 116 CO 0.33 -1.13 0.18 -0.76 0.21 0.00 0.00 175.17 174.00 1z9p s LEU 117 N 4.14 3.53 0.56 1.23 1.43 -1.09 -4.10 118.68 124.38 1z9p s LEU 117 Ca 0.45 -0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 52.84 1z9p s LEU 117 Cb -0.09 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1z9p s LEU 117 CO 0.27 -0.19 1.29 -2.65 0.23 0.00 0.00 176.35 175.31 1z9p n PRO 118 N -1.19 1.51 -1.71 1.29 -0.02 -1.26 -4.62 135.00 128.99 1z9p n PRO 118 Ca -0.05 0.56 -0.35 0.00 -2.02 0.00 0.00 63.50 61.64 1z9p n PRO 118 Cb 0.59 -2.50 0.06 0.00 -0.02 0.00 0.00 33.50 31.63 1z9p n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1z9p s ALA 119 N -1.32 2.34 -0.20 3.55 0.00 -1.26 -4.56 121.76 120.31 1z9p s ALA 119 Ca 0.73 0.93 -0.08 0.00 0.00 0.00 0.00 51.96 53.54 1z9p s ALA 119 Cb -0.42 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 1z9p s ALA 119 CO 0.48 -1.53 0.08 -1.17 0.00 0.00 0.00 175.76 173.62 1z9p s LEU 120 N -4.65 3.86 -0.21 0.00 0.20 -0.00 -4.85 118.68 113.02 1z9p s LEU 120 Ca 0.76 0.08 -0.14 0.00 0.69 0.00 0.00 54.13 55.51 1z9p s LEU 120 Cb -0.29 -1.99 -0.04 0.00 -0.43 0.00 0.00 46.19 43.43 1z9p s LEU 120 CO 0.40 0.15 0.31 0.12 -0.29 0.00 0.00 176.35 177.04 1z9p s PHE 121 N 0.54 3.35 -0.20 5.38 5.36 -1.26 -0.70 117.98 130.46 1z9p s PHE 121 Ca 0.04 0.48 -0.04 0.00 -0.96 0.00 0.00 56.93 56.45 1z9p s PHE 121 Cb -0.13 -2.43 -0.02 0.00 -0.34 0.00 0.00 43.02 40.10 1z9p s PHE 121 CO 0.01 0.02 -0.02 0.08 -1.46 0.00 0.00 175.22 173.85 1z9p s VAL 122 N 1.21 3.80 1.06 3.12 1.01 0.85 -4.44 120.40 127.01 1z9p s VAL 122 Ca 0.15 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 1z9p s VAL 122 Cb -0.14 -2.71 0.22 0.00 0.00 0.00 0.00 36.38 33.75 1z9p s VAL 122 CO 0.07 0.44 1.16 -0.04 0.00 0.00 0.00 175.10 176.73 1z9p s MET 123 N 0.98 -0.06 0.35 2.72 1.00 0.61 -0.99 119.30 123.91 1z9p s MET 123 Ca 0.01 -0.00 0.06 0.00 0.00 0.00 0.00 55.69 55.76 1z9p s MET 123 Cb -0.14 -1.73 0.74 0.00 0.00 0.00 0.00 34.83 33.70 1z9p s MET 123 CO 0.01 -2.95 1.90 1.12 0.00 0.00 0.00 175.02 175.10 1z9p h HIS 124 N -2.04 0.85 -0.04 -0.03 2.07 -1.97 -0.35 115.15 113.64 1z9p h HIS 124 Ca -0.47 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1z9p h HIS 124 Cb 1.29 -0.27 0.00 0.00 2.57 0.00 0.00 27.41 31.00 1z9p h HIS 124 CO -1.07 0.38 0.00 -0.40 -3.07 0.00 0.00 177.93 173.77 1z9p n ASP 125 N -4.52 0.51 0.00 3.10 5.68 -1.26 -4.84 116.55 115.22 1z9p n ASP 125 Ca 0.15 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 53.02 1z9p n ASP 125 Cb 0.35 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1z9p n ASP 125 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1z9p n GLY 126 N 0.94 0.74 3.88 6.12 0.00 -0.14 -4.58 105.19 112.15 1z9p n GLY 126 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1z9p n GLY 126 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1z9p s SER 127 N -2.60 6.57 -0.11 1.61 1.04 -1.26 -1.14 113.70 117.81 1z9p s SER 127 Ca 0.00 0.82 -0.00 0.00 0.48 0.00 0.00 55.95 57.25 1z9p s SER 127 Cb 0.00 -2.19 0.02 0.00 0.10 0.00 0.00 66.02 63.96 1z9p s SER 127 CO 0.00 -0.07 -0.07 0.00 0.98 0.00 0.00 173.24 174.08 1z9p s ALA 128 N -1.83 1.26 -0.00 5.32 0.00 -0.61 -0.28 121.76 125.62 1z9p s ALA 128 Ca 0.46 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1z9p s ALA 128 Cb -0.11 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1z9p s ALA 128 CO 0.23 -0.40 0.56 0.25 0.00 0.00 0.00 175.76 176.41 1z9p n THR 129 N 4.92 0.01 -3.26 0.00 -2.24 -1.26 -1.81 114.28 110.64 1z9p n THR 129 Ca -0.12 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 1z9p n THR 129 Cb 0.50 0.93 -0.08 0.00 -2.10 0.00 0.00 70.33 69.59 1z9p n THR 129 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1z9p s THR 130 N -0.01 5.06 0.54 4.28 2.01 -1.26 -4.66 115.64 121.58 1z9p s THR 130 Ca 0.00 0.54 -0.19 0.00 0.31 0.00 0.00 61.69 62.35 1z9p s THR 130 Cb 0.00 -3.88 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 1z9p s THR 130 CO 0.00 -0.07 1.08 -2.16 -0.69 0.00 0.00 174.62 172.78 1z9p s PRO 131 N 2.32 3.49 0.04 4.92 0.04 -1.26 -4.48 135.00 140.07 1z9p s PRO 131 Ca 0.19 1.43 0.02 0.00 0.04 0.00 0.00 61.00 62.68 1z9p s PRO 131 Cb -0.16 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1z9p s PRO 131 CO 0.11 -0.70 -0.07 0.14 0.04 0.00 0.00 177.00 176.53 1z9p s VAL 132 N -2.00 0.44 -0.11 -0.36 -7.23 -0.32 -4.97 120.40 105.85 1z9p s VAL 132 Ca 0.69 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.80 1z9p s VAL 132 Cb -0.19 -0.52 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 1z9p s VAL 132 CO 0.27 -0.39 0.04 -0.22 -0.31 0.00 0.00 175.10 174.49 1z9p s LEU 133 N -1.51 3.81 -0.61 1.32 2.96 -1.26 -0.64 118.68 122.75 1z9p s LEU 133 Ca -0.11 0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1z9p s LEU 133 Cb -0.10 -1.90 0.16 0.00 0.50 0.00 0.00 46.19 44.85 1z9p s LEU 133 CO 0.00 0.35 0.43 0.00 -1.32 0.00 0.00 176.35 175.81 1z9p s ALA 134 N -0.67 3.56 0.20 5.97 0.00 0.15 -4.52 121.76 126.44 1z9p s ALA 134 Ca 0.11 -3.14 0.36 0.00 0.00 0.00 0.00 51.96 49.29 1z9p s ALA 134 Cb -0.12 -2.70 1.59 0.00 0.00 0.00 0.00 23.12 21.89 1z9p s ALA 134 CO 0.02 -2.07 2.06 -1.00 0.00 0.00 0.00 175.76 174.77 1z9p h PRO 135 N 7.27 0.00 -0.00 0.00 0.13 -1.77 -2.40 132.00 135.23 1z9p h PRO 135 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1z9p h PRO 135 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1z9p h PRO 135 CO 0.72 0.00 -0.21 0.54 -0.23 0.00 0.00 178.00 178.82 1z9p n ARG 136 N -3.03 0.19 -4.04 0.86 1.74 -1.26 -4.58 116.66 106.54 1z9p n ARG 136 Ca -0.00 -0.07 -0.35 0.00 -0.77 0.00 0.00 57.85 56.66 1z9p n ARG 136 Cb 0.24 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.09 1z9p n ARG 136 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1z9p s LEU 137 N -2.86 3.80 -0.01 0.55 1.43 -0.92 -5.00 118.68 115.67 1z9p s LEU 137 Ca 0.17 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1z9p s LEU 137 Cb 0.19 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1z9p s LEU 137 CO 0.58 0.19 0.03 0.29 0.23 0.00 0.00 176.35 177.67 1z9p n LYS 138 N 3.41 1.44 -4.19 1.70 4.76 -1.26 -1.01 118.16 123.01 1z9p n LYS 138 Ca -0.17 -0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.10 1z9p n LYS 138 Cb 0.52 -1.05 -0.14 0.00 -1.84 0.00 0.00 35.03 32.52 1z9p n LYS 138 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1z9p s LYS 139 N -2.10 0.49 0.37 1.97 -0.14 -1.26 -4.73 119.74 114.35 1z9p s LYS 139 Ca -0.01 -0.25 0.11 0.00 -1.36 0.00 0.00 55.97 54.46 1z9p s LYS 139 Cb 0.01 -0.46 0.88 0.00 -1.68 0.00 0.00 37.83 36.58 1z9p s LYS 139 CO 0.08 0.13 1.88 -0.07 -0.76 0.00 0.00 175.35 176.60 1z9p h LEU 140 N 5.90 0.59 -1.40 3.17 3.38 -1.96 -2.27 115.31 122.72 1z9p h LEU 140 Ca -0.29 0.04 0.12 0.00 0.09 0.00 0.00 57.88 57.84 1z9p h LEU 140 Cb 1.19 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 1z9p h LEU 140 CO 0.49 0.29 0.52 0.00 0.09 0.00 0.00 178.44 179.84 1z9p h ALA 141 N 1.61 1.88 0.00 1.53 0.00 -1.99 -3.13 119.26 119.16 1z9p h ALA 141 Ca 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 1z9p h ALA 141 Cb 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1z9p h ALA 141 CO -0.19 -0.07 -0.24 1.05 0.00 0.00 0.00 179.25 179.80 1z9p h GLU 142 N 0.62 0.00 -0.01 0.00 4.11 -1.84 -2.88 114.58 114.59 1z9p h GLU 142 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 1z9p h GLU 142 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1z9p h GLU 142 CO -0.15 0.24 -0.28 1.33 0.07 0.00 0.00 179.01 180.22 1z9p n VAL 143 N -3.33 0.00 -2.25 -1.06 0.24 -1.18 -4.95 118.33 105.80 1z9p n VAL 143 Ca 0.01 -0.10 -0.34 0.00 -2.04 0.00 0.00 64.34 61.87 1z9p n VAL 143 Cb 0.48 0.32 -0.00 0.00 -1.47 0.00 0.00 33.84 33.17 1z9p n VAL 143 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1z9p s LYS 144 N -2.58 3.42 -0.19 7.34 1.02 -1.09 -3.44 119.74 124.21 1z9p s LYS 144 Ca 0.23 1.44 0.00 0.00 0.02 0.00 0.00 55.97 57.66 1z9p s LYS 144 Cb 0.19 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.47 1z9p s LYS 144 CO 0.54 -0.77 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 1z9p n GLY 145 N -0.23 0.41 3.39 -3.33 0.00 0.01 -5.01 105.19 100.42 1z9p n GLY 145 Ca 0.10 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 1z9p n GLY 145 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1z9p s HIS 146 N -2.09 1.72 0.14 1.61 3.76 -1.22 -3.78 115.29 115.44 1z9p s HIS 146 Ca 0.00 -1.45 0.09 0.00 -0.15 0.00 0.00 55.06 53.56 1z9p s HIS 146 Cb 0.00 -0.92 -0.04 0.00 1.11 0.00 0.00 32.58 32.73 1z9p s HIS 146 CO 0.00 -0.56 -0.17 -1.54 -0.85 0.00 0.00 174.74 171.62 1z9p s SER 147 N -3.46 3.93 -0.23 1.40 1.04 -0.90 -0.36 113.70 115.12 1z9p s SER 147 Ca 0.33 -0.60 -0.04 0.00 0.48 0.00 0.00 55.95 56.11 1z9p s SER 147 Cb 0.03 -0.56 -0.01 0.00 0.10 0.00 0.00 66.02 65.59 1z9p s SER 147 CO 0.20 0.15 -0.03 -0.22 0.98 0.00 0.00 173.24 174.32 1z9p s LEU 148 N -2.38 2.98 -0.05 2.42 2.96 0.60 -0.44 118.68 124.78 1z9p s LEU 148 Ca 0.20 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 1z9p s LEU 148 Cb -0.10 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1z9p s LEU 148 CO 0.11 -0.03 -0.24 -0.32 -1.32 0.00 0.00 176.35 174.55 1z9p s MET 149 N 1.49 2.45 -0.17 1.98 -2.45 0.53 -1.37 119.30 121.75 1z9p s MET 149 Ca 0.06 -0.89 -0.00 0.00 -1.25 0.00 0.00 55.69 53.60 1z9p s MET 149 Cb -0.14 -2.16 0.00 0.00 1.25 0.00 0.00 34.83 33.78 1z9p s MET 149 CO -0.03 0.45 -0.15 0.42 1.05 0.00 0.00 175.02 176.76 1z9p s ILE 150 N -0.32 2.61 0.35 10.11 1.01 0.21 -1.29 121.20 133.88 1z9p s ILE 150 Ca 0.01 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1z9p s ILE 150 Cb -0.13 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1z9p s ILE 150 CO 0.02 0.51 0.52 -1.00 0.00 0.00 0.00 174.94 174.99 1z9p s HIS 151 N 1.00 3.32 0.16 3.97 3.76 0.31 -1.08 115.29 126.74 1z9p s HIS 151 Ca -0.02 0.10 -0.10 0.00 -0.15 0.00 0.00 55.06 54.89 1z9p s HIS 151 Cb -0.15 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.59 1z9p s HIS 151 CO -0.03 0.03 1.55 0.00 -0.85 0.00 0.00 174.74 175.44 1z9p h ALA 152 N 0.78 0.69 -4.43 -1.40 0.00 -1.06 -3.38 119.26 110.47 1z9p h ALA 152 Ca -0.48 -0.39 -0.22 0.00 0.00 0.00 0.00 54.91 53.82 1z9p h ALA 152 Cb 1.24 -0.17 0.05 0.00 0.00 0.00 0.00 17.79 18.90 1z9p h ALA 152 CO 0.58 0.67 0.07 0.41 0.00 0.00 0.00 179.25 180.98 1z9p n GLY 153 N -0.13 0.48 0.00 0.00 0.00 0.28 -4.87 105.19 100.96 1z9p n GLY 153 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1z9p n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z9p n GLY 154 N 1.25 1.49 3.10 -0.02 0.00 -1.24 -0.56 105.19 109.21 1z9p n GLY 154 Ca 0.08 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1z9p n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1z9p s ASP 155 N -1.00 -0.96 -0.00 1.61 -1.08 -1.24 -2.88 116.67 111.12 1z9p s ASP 155 Ca 0.00 0.73 0.12 0.00 -0.52 0.00 0.00 52.55 52.88 1z9p s ASP 155 Cb 0.00 1.90 0.34 0.00 -1.46 0.00 0.00 42.92 43.70 1z9p s ASP 155 CO 0.00 -0.27 1.28 -0.46 0.52 0.00 0.00 175.17 176.24 1z9p n ASN 156 N 5.41 2.06 -3.97 -0.34 6.94 -0.65 -4.93 115.26 119.78 1z9p n ASN 156 Ca -0.02 -2.01 -0.31 0.00 -0.02 0.00 0.00 54.58 52.22 1z9p n ASN 156 Cb 0.51 -0.26 0.02 0.00 -2.36 0.00 0.00 39.78 37.68 1z9p n ASN 156 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1z9p n HIS 157 N 0.60 -2.16 -3.68 -2.53 8.25 -1.26 -4.94 115.22 109.50 1z9p n HIS 157 Ca 0.13 0.88 -0.11 0.00 -0.26 0.00 0.00 57.72 58.36 1z9p n HIS 157 Cb 0.33 -3.80 -0.06 0.00 1.12 0.00 0.00 29.99 27.59 1z9p n HIS 157 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1z9p s SER 158 N -3.38 -0.20 0.00 0.41 0.15 -1.26 -4.04 113.70 105.38 1z9p s SER 158 Ca 0.63 -0.23 0.30 0.00 0.70 0.00 0.00 55.95 57.35 1z9p s SER 158 Cb -0.32 0.43 1.38 0.00 -1.71 0.00 0.00 66.02 65.79 1z9p s SER 158 CO 0.85 -0.74 1.93 0.47 1.20 0.00 0.00 173.24 176.95 1z9p n ASP 159 N 0.15 0.83 -4.48 5.45 8.00 -1.26 -0.86 116.55 124.38 1z9p n ASP 159 Ca -0.17 -1.21 -0.33 0.00 0.71 0.00 0.00 54.79 53.78 1z9p n ASP 159 Cb 0.62 -0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.59 1z9p n ASP 159 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1z9p s HIS 160 N -2.05 2.95 -0.85 1.24 2.46 -1.26 -3.40 115.29 114.37 1z9p s HIS 160 Ca 0.41 -0.31 0.24 0.00 0.47 0.00 0.00 55.06 55.86 1z9p s HIS 160 Cb 0.21 -1.88 0.23 0.00 -0.13 0.00 0.00 32.58 31.02 1z9p s HIS 160 CO 0.37 -0.00 1.21 -0.35 -2.47 0.00 0.00 174.74 173.49 1z9p n PRO 161 N 3.26 0.11 -4.20 2.88 -0.04 -1.26 -5.01 135.00 130.74 1z9p n PRO 161 Ca -0.18 0.01 -0.36 0.00 -0.04 0.00 0.00 63.50 62.94 1z9p n PRO 161 Cb 0.53 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 1z9p n PRO 161 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1z9p s ALA 162 N -3.07 3.47 0.28 0.55 0.00 -1.22 -5.07 121.76 116.69 1z9p s ALA 162 Ca 0.08 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 1z9p s ALA 162 Cb 0.16 -1.66 -0.13 0.00 0.00 0.00 0.00 23.12 21.49 1z9p s ALA 162 CO 0.76 0.57 1.39 -0.35 0.00 0.00 0.00 175.76 178.13 1z9p n PRO 163 N 2.20 2.13 -3.19 0.00 -0.04 -1.24 -3.12 135.00 131.74 1z9p n PRO 163 Ca -0.19 0.75 -0.17 0.00 -0.04 0.00 0.00 63.50 63.86 1z9p n PRO 163 Cb 0.54 -2.40 0.05 0.00 -0.04 0.00 0.00 33.50 31.65 1z9p n PRO 163 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1z9p n LEU 164 N 1.73 -2.88 0.00 1.53 4.77 -1.26 -2.42 117.00 118.47 1z9p n LEU 164 Ca 0.09 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1z9p n LEU 164 Cb 0.33 -2.27 0.00 0.00 -2.33 0.00 0.00 43.42 39.15 1z9p n LEU 164 CO 0.63 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1z9p n GLY 165 N -1.52 0.46 2.04 -0.72 0.00 -0.04 -3.10 105.19 102.31 1z9p n GLY 165 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1z9p n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z9p n GLY 166 N -1.71 0.44 0.35 -0.02 0.00 -1.02 -1.64 105.19 101.59 1z9p n GLY 166 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 45.11 1z9p n GLY 166 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1z9p h GLY 167 N 0.00 1.06 0.00 -0.02 0.00 -1.46 -3.30 103.07 99.36 1z9p h GLY 167 Ca -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1z9p h GLY 167 CO 0.05 0.31 0.00 0.61 0.00 0.00 0.00 176.54 177.50 1z9p n GLY 168 N -1.43 2.43 3.61 4.60 0.00 -1.26 -0.55 105.19 112.59 1z9p n GLY 168 Ca 0.10 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 1z9p n GLY 168 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1z9p n PRO 169 N 12.07 0.77 -2.99 1.61 -0.02 -1.26 -4.72 135.00 140.46 1z9p n PRO 169 Ca 0.00 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.37 1z9p n PRO 169 Cb 0.00 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.24 1z9p n PRO 169 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1z9p s ARG 170 N -2.94 3.56 -0.20 -0.52 0.52 -1.26 -0.98 118.95 117.13 1z9p s ARG 170 Ca 0.76 0.05 -0.11 0.00 -0.52 0.00 0.00 55.73 55.91 1z9p s ARG 170 Cb -0.39 -3.87 -0.20 0.00 0.52 0.00 0.00 34.95 31.00 1z9p s ARG 170 CO 0.47 -0.96 0.10 -0.12 0.02 0.00 0.00 175.30 174.81 1z9p n MET 171 N 6.49 0.65 -3.88 3.54 0.00 -0.24 -4.73 117.12 118.96 1z9p n MET 171 Ca 0.02 0.34 -0.10 0.00 -0.00 0.00 0.00 57.70 57.96 1z9p n MET 171 Cb 0.48 -1.65 -0.09 0.00 0.00 0.00 0.00 33.22 31.96 1z9p n MET 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1z9p s ALA 172 N -2.48 -0.23 -0.09 -5.12 0.00 -0.75 -0.82 121.76 112.27 1z9p s ALA 172 Ca -0.29 -0.39 -0.31 0.00 0.00 0.00 0.00 51.96 50.97 1z9p s ALA 172 Cb 0.08 0.26 0.09 0.00 0.00 0.00 0.00 23.12 23.56 1z9p s ALA 172 CO 0.64 -0.34 0.79 0.00 0.00 0.00 0.00 175.76 176.85 1z9p s GLY 174 N -1.16 -0.08 -0.02 0.00 0.00 -0.47 -1.38 107.32 104.22 1z9p s GLY 174 Ca -0.08 0.08 -0.21 0.00 0.00 0.00 0.00 44.72 44.51 1z9p s GLY 174 CO 0.07 -0.12 0.60 0.14 0.00 0.00 0.00 173.10 173.80 1z9p s VAL 175 N -1.81 4.94 -0.32 1.40 1.01 -1.26 -0.29 120.40 124.07 1z9p s VAL 175 Ca -0.11 1.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.91 1z9p s VAL 175 Cb -0.04 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 1z9p s VAL 175 CO 0.01 0.39 0.68 -0.63 0.00 0.00 0.00 175.10 175.56 1z9p s ILE 176 N -0.03 4.87 0.00 2.22 1.01 0.52 -4.70 121.20 125.09 1z9p s ILE 176 Ca 0.31 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.84 1z9p s ILE 176 Cb -0.18 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1z9p s ILE 176 CO 0.17 -0.24 0.43 1.17 0.00 0.00 0.00 174.94 176.47