#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ohj n GLY 2 N 0.00 0.76 3.72 7.55 0.00 -1.26 -4.58 105.19 111.37 1ohj n GLY 2 Ca 0.00 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1ohj n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ohj s SER 3 N -4.00 7.21 -0.26 1.61 0.15 -1.23 -4.96 113.70 112.23 1ohj s SER 3 Ca 0.00 1.93 0.02 0.00 0.70 0.00 0.00 55.95 58.60 1ohj s SER 3 Cb 0.00 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 61.79 1ohj s SER 3 CO 0.00 -0.35 -0.06 -0.22 1.20 0.00 0.00 173.24 173.81 1ohj s LEU 4 N 0.71 3.07 0.07 3.45 2.96 -1.26 0.17 118.68 127.85 1ohj s LEU 4 Ca 0.55 -1.36 0.09 0.00 -0.22 0.00 0.00 54.13 53.19 1ohj s LEU 4 Cb -0.27 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1ohj s LEU 4 CO 0.30 -0.24 -0.24 0.20 -1.32 0.00 0.00 176.35 175.05 1ohj s ASN 5 N 1.25 2.95 -0.10 3.68 0.01 -0.40 -2.53 114.94 119.81 1ohj s ASN 5 Ca -0.05 -0.63 0.04 0.00 -0.71 0.00 0.00 52.86 51.51 1ohj s ASN 5 Cb -0.19 -0.23 -0.01 0.00 0.41 0.00 0.00 41.25 41.23 1ohj s ASN 5 CO -0.07 0.19 -0.22 0.00 -1.51 0.00 0.00 177.10 175.50 1ohj s ILE 7 N 0.21 1.59 0.18 0.00 2.07 -0.96 -1.49 121.20 122.81 1ohj s ILE 7 Ca -0.13 -0.68 0.08 0.00 -1.41 0.00 0.00 60.65 58.50 1ohj s ILE 7 Cb -0.17 -1.46 -0.04 0.00 0.13 0.00 0.00 42.46 40.92 1ohj s ILE 7 CO 0.07 0.46 -0.15 0.54 -1.91 0.00 0.00 174.94 173.95 1ohj s VAL 8 N 1.16 1.68 -0.19 4.00 0.11 0.30 -4.65 120.40 122.81 1ohj s VAL 8 Ca -0.02 -2.09 -0.02 0.00 -2.93 0.00 0.00 61.98 56.92 1ohj s VAL 8 Cb -0.14 -1.94 0.06 0.00 -1.53 0.00 0.00 36.38 32.83 1ohj s VAL 8 CO -0.05 -0.53 0.00 0.00 -3.33 0.00 0.00 175.10 171.19 1ohj s ALA 9 N -2.72 1.26 -0.02 1.54 0.00 -1.26 -1.11 121.76 119.46 1ohj s ALA 9 Ca 0.19 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.39 1ohj s ALA 9 Cb -0.02 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1ohj s ALA 9 CO 0.06 -1.08 -0.21 0.54 0.00 0.00 0.00 175.76 175.07 1ohj s VAL 10 N 1.73 1.66 0.83 0.00 0.11 -0.46 -4.68 120.40 119.59 1ohj s VAL 10 Ca -0.01 -0.90 -0.11 0.00 -2.93 0.00 0.00 61.98 58.03 1ohj s VAL 10 Cb -0.17 -1.38 0.09 0.00 -1.53 0.00 0.00 36.38 33.39 1ohj s VAL 10 CO -0.07 0.47 1.09 -0.94 -3.33 0.00 0.00 175.10 172.32 1ohj s SER 11 N -0.47 4.00 0.49 3.54 1.04 -0.73 -1.20 113.70 120.36 1ohj s SER 11 Ca 0.07 1.68 0.25 0.00 0.48 0.00 0.00 55.95 58.43 1ohj s SER 11 Cb -0.08 -2.36 1.31 0.00 0.10 0.00 0.00 66.02 64.98 1ohj s SER 11 CO -0.01 -2.33 1.91 -0.61 0.98 0.00 0.00 173.24 173.18 1ohj h GLN 12 N -1.34 0.16 -0.89 4.02 4.15 0.74 0.22 115.11 122.17 1ohj h GLN 12 Ca -0.46 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 58.72 1ohj h GLN 12 Cb 1.26 -0.04 -0.14 0.00 0.21 0.00 0.00 27.48 28.77 1ohj h GLN 12 CO 0.53 0.10 0.29 0.27 -1.93 0.00 0.00 178.83 178.09 1ohj n ASN 13 N -4.39 3.84 -0.48 -0.69 6.94 -1.26 -4.93 115.26 114.30 1ohj n ASN 13 Ca 0.16 -2.95 -0.06 0.00 -0.02 0.00 0.00 54.58 51.71 1ohj n ASN 13 Cb 0.77 -0.70 -0.03 0.00 -2.36 0.00 0.00 39.78 37.46 1ohj n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1ohj n MET 14 N -0.24 -1.36 -2.84 -3.83 2.81 0.77 -4.99 117.12 107.44 1ohj n MET 14 Ca 0.34 0.65 -0.41 0.00 -1.81 0.00 0.00 57.70 56.46 1ohj n MET 14 Cb 1.18 -4.80 -0.04 0.00 -0.71 0.00 0.00 33.22 28.85 1ohj n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ohj s GLY 15 N -2.32 2.77 -0.07 3.03 0.00 -1.26 -1.23 107.32 108.23 1ohj s GLY 15 Ca 0.00 0.38 0.13 0.00 0.00 0.00 0.00 44.72 45.23 1ohj s GLY 15 CO 0.00 1.51 0.19 0.29 0.00 0.00 0.00 173.10 175.09 1ohj n ILE 16 N 3.89 0.43 -3.91 0.90 -5.35 -0.82 -1.78 119.36 112.73 1ohj n ILE 16 Ca 0.03 -0.44 -0.09 0.00 -0.27 0.00 0.00 62.75 61.98 1ohj n ILE 16 Cb 0.51 -0.21 -0.05 0.00 -1.74 0.00 0.00 39.64 38.15 1ohj n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ohj s GLY 17 N -4.14 0.31 -0.30 3.28 0.00 -1.10 -4.56 107.32 100.82 1ohj s GLY 17 Ca -0.06 -0.66 -0.07 0.00 0.00 0.00 0.00 44.72 43.94 1ohj s GLY 17 CO 0.58 -0.53 0.75 1.25 0.00 0.00 0.00 173.10 175.15 1ohj s LYS 18 N -3.96 0.46 -0.51 2.90 2.20 0.58 -0.71 119.74 120.69 1ohj s LYS 18 Ca 0.17 0.92 -0.02 0.00 -0.36 0.00 0.00 55.97 56.67 1ohj s LYS 18 Cb -0.00 0.53 0.00 0.00 -1.51 0.00 0.00 37.83 36.85 1ohj s LYS 18 CO 0.04 -0.39 0.28 0.09 -0.36 0.00 0.00 175.35 175.00 1ohj n ASN 19 N 5.39 -3.24 -1.36 1.43 4.13 -1.26 -2.50 115.26 117.84 1ohj n ASN 19 Ca -0.05 -0.13 -0.13 0.00 1.68 0.00 0.00 54.58 55.95 1ohj n ASN 19 Cb 0.51 -2.04 -0.01 0.00 -1.54 0.00 0.00 39.78 36.71 1ohj n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ohj n GLY 20 N -1.01 0.08 3.59 7.41 0.00 -1.26 -4.94 105.19 109.05 1ohj n GLY 20 Ca -0.02 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 1ohj n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ohj s ASP 21 N -2.50 0.47 0.11 1.61 -1.08 -1.04 -4.90 116.67 109.35 1ohj s ASP 21 Ca 0.00 -1.28 -0.27 0.00 -0.52 0.00 0.00 52.55 50.49 1ohj s ASP 21 Cb 0.00 0.70 -0.07 0.00 -1.46 0.00 0.00 42.92 42.09 1ohj s ASP 21 CO 0.00 -1.36 0.83 -0.22 0.52 0.00 0.00 175.17 174.93 1ohj s LEU 22 N -3.15 4.52 0.40 -1.34 2.96 -1.26 0.21 118.68 121.02 1ohj s LEU 22 Ca 0.25 1.62 0.22 0.00 -0.22 0.00 0.00 54.13 56.00 1ohj s LEU 22 Cb -0.02 -3.36 0.46 0.00 0.50 0.00 0.00 46.19 43.77 1ohj s LEU 22 CO 0.16 0.06 1.63 1.55 -1.32 0.00 0.00 176.35 178.43 1ohj h PRO 23 N 5.15 0.00 -6.18 0.98 0.13 -1.83 -3.43 132.00 126.81 1ohj h PRO 23 Ca -0.45 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.14 1ohj h PRO 23 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1ohj h PRO 23 CO 0.69 0.21 -0.59 1.67 -0.23 0.00 0.00 178.00 179.75 1ohj s TRP 24 N -3.25 2.80 0.51 1.56 -2.14 -1.26 -4.75 118.94 112.41 1ohj s TRP 24 Ca 0.04 -0.22 -0.22 0.00 2.66 0.00 0.00 56.10 58.36 1ohj s TRP 24 Cb 0.07 -1.33 -0.06 0.00 -3.10 0.00 0.00 33.47 29.06 1ohj s TRP 24 CO 0.68 0.54 1.28 -2.14 -2.66 0.00 0.00 176.95 174.65 1ohj s PRO 25 N -3.75 3.39 0.01 3.25 0.02 -1.26 -4.86 135.00 131.80 1ohj s PRO 25 Ca 0.33 2.05 -0.36 0.00 0.02 0.00 0.00 61.00 63.03 1ohj s PRO 25 Cb -0.06 -2.31 -0.15 0.00 0.02 0.00 0.00 34.50 32.00 1ohj s PRO 25 CO 0.22 -0.93 1.57 -0.35 -0.33 0.00 0.00 177.00 177.18 1ohj n PRO 26 N -0.82 1.61 -3.73 5.54 -0.04 -1.26 -4.98 135.00 131.33 1ohj n PRO 26 Ca 0.09 0.58 -0.37 0.00 -0.04 0.00 0.00 63.50 63.76 1ohj n PRO 26 Cb 0.46 -2.31 -0.11 0.00 -0.04 0.00 0.00 33.50 31.51 1ohj n PRO 26 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ohj s LEU 27 N 1.77 5.25 0.23 1.53 1.43 -1.26 -5.01 118.68 122.63 1ohj s LEU 27 Ca 0.87 -1.92 -0.06 0.00 -1.03 0.00 0.00 54.13 51.99 1ohj s LEU 27 Cb -0.85 -1.87 0.33 0.00 0.03 0.00 0.00 46.19 43.82 1ohj s LEU 27 CO 0.48 -0.56 1.82 0.03 0.23 0.00 0.00 176.35 178.36 1ohj h ARG 28 N 8.16 0.80 0.00 1.70 3.08 -1.97 -2.06 114.38 124.08 1ohj h ARG 28 Ca -0.16 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1ohj h ARG 28 Cb 1.06 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1ohj h ARG 28 CO 0.73 0.53 0.00 -0.91 -1.07 0.00 0.00 179.97 179.24 1ohj h ASN 29 N 0.82 0.00 0.00 7.04 2.35 -1.96 0.86 115.58 124.69 1ohj h ASN 29 Ca 0.36 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.09 1ohj h ASN 29 Cb 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1ohj h ASN 29 CO -0.20 0.00 -0.10 -0.08 -1.65 0.00 0.00 177.43 175.40 1ohj h GLU 30 N 0.00 0.00 0.00 0.81 4.22 -1.81 -2.95 114.58 114.85 1ohj h GLU 30 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1ohj h GLU 30 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ohj h GLU 30 CO 0.00 0.97 -0.07 0.74 -2.18 0.00 0.00 179.01 178.47 1ohj h PHE 31 N -1.00 0.00 -0.00 0.92 0.04 -0.96 1.72 116.94 117.65 1ohj h PHE 31 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1ohj h PHE 31 Cb 0.99 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.14 1ohj h PHE 31 CO 0.26 0.07 -0.34 0.54 -0.60 0.00 0.00 178.31 178.23 1ohj n ARG 32 N -3.74 0.46 -0.12 1.51 1.74 0.29 -3.07 116.66 113.74 1ohj n ARG 32 Ca -0.02 -0.26 -0.23 0.00 -0.77 0.00 0.00 57.85 56.57 1ohj n ARG 32 Cb 0.17 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.00 1ohj n ARG 32 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1ohj n TYR 33 N -1.04 0.13 -0.12 -1.55 9.36 0.85 -3.21 117.16 121.59 1ohj n TYR 33 Ca 0.09 0.04 -0.07 0.00 3.32 0.00 0.00 57.90 61.28 1ohj n TYR 33 Cb 0.34 -1.02 0.01 0.00 -0.63 0.00 0.00 39.34 38.05 1ohj n TYR 33 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 1ohj h PHE 34 N -0.40 0.37 -0.45 2.98 3.57 0.23 -0.42 116.94 122.81 1ohj h PHE 34 Ca -0.61 0.02 0.04 0.00 3.53 0.00 0.00 57.97 60.95 1ohj h PHE 34 Cb 1.78 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 40.37 1ohj h PHE 34 CO -0.01 0.20 0.22 0.37 -2.23 0.00 0.00 178.31 176.86 1ohj h GLN 35 N 0.41 0.43 0.11 1.11 4.15 -1.71 -1.94 115.11 117.66 1ohj h GLN 35 Ca 0.16 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1ohj h GLN 35 Cb 0.05 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1ohj h GLN 35 CO -0.10 0.28 -0.05 -0.09 -1.93 0.00 0.00 178.83 176.94 1ohj h ARG 36 N 0.44 -0.14 -0.77 1.69 2.43 -1.50 -2.80 114.38 113.72 1ohj h ARG 36 Ca 0.20 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.42 1ohj h ARG 36 Cb 0.11 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1ohj h ARG 36 CO -0.14 0.34 0.47 0.52 -1.51 0.00 0.00 179.97 179.65 1ohj h MET 37 N -0.76 0.86 -0.05 0.20 2.86 -1.05 -0.95 114.93 116.04 1ohj h MET 37 Ca -0.02 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 1ohj h MET 37 Cb 0.55 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1ohj h MET 37 CO 0.03 0.57 -0.48 1.79 1.06 0.00 0.00 176.91 179.88 1ohj h THR 38 N 0.89 1.34 0.19 2.22 1.35 -1.42 -3.28 112.91 114.20 1ohj h THR 38 Ca 0.33 -1.67 -0.28 0.00 -0.55 0.00 0.00 66.41 64.24 1ohj h THR 38 Cb 0.11 1.84 0.02 0.00 -1.73 0.00 0.00 68.15 68.39 1ohj h THR 38 CO -0.15 0.49 -1.29 0.74 -0.25 0.00 0.00 175.52 175.06 1ohj h THR 39 N 0.10 1.27 -2.73 6.82 2.02 -1.35 -3.42 112.91 115.62 1ohj h THR 39 Ca 0.00 -2.57 -0.57 0.00 0.77 0.00 0.00 66.41 64.04 1ohj h THR 39 Cb 0.88 3.01 -0.03 0.00 -1.74 0.00 0.00 68.15 70.28 1ohj h THR 39 CO 0.07 0.77 1.19 -0.89 0.37 0.00 0.00 175.52 177.03 1ohj s THR 40 N -2.52 3.59 0.10 3.16 2.01 -0.38 -4.60 115.64 117.01 1ohj s THR 40 Ca -0.13 0.65 -0.10 0.00 0.31 0.00 0.00 61.69 62.42 1ohj s THR 40 Cb 0.03 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 68.81 1ohj s THR 40 CO 0.87 -0.34 0.42 -0.55 -0.69 0.00 0.00 174.62 174.33 1ohj s SER 41 N 4.96 6.65 0.00 3.53 0.15 -1.26 -4.96 113.70 122.77 1ohj s SER 41 Ca 0.75 0.81 0.00 0.00 0.70 0.00 0.00 55.95 58.21 1ohj s SER 41 Cb -0.24 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1ohj s SER 41 CO 0.31 0.15 0.07 -1.54 1.20 0.00 0.00 173.24 173.43 1ohj n SER 42 N 0.79 0.00 -4.71 5.45 3.41 -1.26 -4.85 113.62 112.44 1ohj n SER 42 Ca -0.07 0.07 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1ohj n SER 42 Cb 0.52 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1ohj n SER 42 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1ohj n VAL 43 N -0.25 0.56 -1.71 -3.33 3.14 -1.26 -4.94 118.33 110.53 1ohj n VAL 43 Ca 0.00 -0.14 -0.43 0.00 -2.96 0.00 0.00 64.34 60.81 1ohj n VAL 43 Cb 0.00 -1.83 -0.02 0.00 -1.06 0.00 0.00 33.84 30.92 1ohj n VAL 43 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1ohj n GLU 44 N 2.86 2.46 0.00 1.45 0.28 -1.26 -3.20 120.64 123.23 1ohj n GLU 44 Ca 0.12 0.88 0.00 0.00 -0.16 0.00 0.00 57.16 58.00 1ohj n GLU 44 Cb 0.34 -2.63 0.00 0.00 1.43 0.00 0.00 31.44 30.58 1ohj n GLU 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ohj n GLY 45 N 2.46 3.00 3.84 -1.84 0.00 -1.26 -5.05 105.19 106.34 1ohj n GLY 45 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1ohj n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ohj s LYS 46 N -0.09 3.95 0.38 1.61 1.02 -1.19 -5.03 119.74 120.39 1ohj s LYS 46 Ca 0.00 0.93 0.08 0.00 0.02 0.00 0.00 55.97 57.00 1ohj s LYS 46 Cb 0.00 -2.15 -0.06 0.00 -0.52 0.00 0.00 37.83 35.10 1ohj s LYS 46 CO 0.00 -0.25 0.06 -1.14 -0.92 0.00 0.00 175.35 173.11 1ohj s GLN 47 N -4.02 2.09 -0.08 1.68 0.74 -0.83 -4.81 119.66 114.43 1ohj s GLN 47 Ca 0.59 -1.87 -0.05 0.00 0.05 0.00 0.00 55.36 54.08 1ohj s GLN 47 Cb -0.10 -1.87 -0.04 0.00 1.10 0.00 0.00 33.01 32.10 1ohj s GLN 47 CO 0.30 0.01 0.13 -0.80 -0.55 0.00 0.00 175.29 174.39 1ohj s ASN 48 N -3.77 6.23 -0.26 6.67 0.01 -1.26 -0.61 114.94 121.95 1ohj s ASN 48 Ca 0.37 0.39 -0.08 0.00 -0.71 0.00 0.00 52.86 52.82 1ohj s ASN 48 Cb 0.04 -1.97 -0.03 0.00 0.41 0.00 0.00 41.25 39.69 1ohj s ASN 48 CO 0.20 0.37 0.10 -0.22 -1.51 0.00 0.00 177.10 176.04 1ohj s LEU 49 N -1.26 3.61 -0.14 0.60 2.96 -0.29 0.14 118.68 124.29 1ohj s LEU 49 Ca 0.18 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1ohj s LEU 49 Cb -0.12 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 1ohj s LEU 49 CO 0.08 -0.03 -0.10 0.68 -1.32 0.00 0.00 176.35 175.65 1ohj s VAL 50 N 1.61 3.27 -0.13 1.68 -7.23 -0.12 -1.10 120.40 118.38 1ohj s VAL 50 Ca 0.06 -0.58 0.02 0.00 -1.81 0.00 0.00 61.98 59.67 1ohj s VAL 50 Cb -0.15 -2.40 -0.00 0.00 0.56 0.00 0.00 36.38 34.39 1ohj s VAL 50 CO 0.06 0.51 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.54 1ohj s ILE 51 N 0.40 2.40 0.05 -0.62 1.01 -0.93 -1.42 121.20 122.10 1ohj s ILE 51 Ca -0.09 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 1ohj s ILE 51 Cb -0.15 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1ohj s ILE 51 CO 0.05 0.54 -0.02 0.00 0.00 0.00 0.00 174.94 175.51 1ohj s MET 52 N 0.58 0.61 1.07 2.79 0.23 -0.87 -1.88 119.30 121.83 1ohj s MET 52 Ca -0.11 -1.18 -0.17 0.00 -1.03 0.00 0.00 55.69 53.20 1ohj s MET 52 Cb -0.16 0.21 0.23 0.00 -1.53 0.00 0.00 34.83 33.58 1ohj s MET 52 CO 0.04 -0.12 1.17 0.20 -2.03 0.00 0.00 175.02 174.28 1ohj s GLY 53 N -2.85 1.63 -0.01 3.16 0.00 -0.49 -1.16 107.32 107.60 1ohj s GLY 53 Ca 0.06 -0.90 -0.25 0.00 0.00 0.00 0.00 44.72 43.63 1ohj s GLY 53 CO -0.10 -0.12 1.27 1.70 0.00 0.00 0.00 173.10 175.85 1ohj h LYS 54 N -2.10 -0.06 -0.73 2.90 3.64 -1.89 -3.05 116.57 115.28 1ohj h LYS 54 Ca -0.46 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1ohj h LYS 54 Cb 1.29 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 1ohj h LYS 54 CO 0.42 0.38 0.43 0.87 -2.27 0.00 0.00 179.45 179.28 1ohj h LYS 55 N -0.51 0.99 -0.38 1.90 1.57 -1.94 -1.88 116.57 116.31 1ohj h LYS 55 Ca -0.01 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ohj h LYS 55 Cb 0.46 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1ohj h LYS 55 CO 0.01 0.70 0.25 1.15 -0.57 0.00 0.00 179.45 180.98 1ohj h THR 56 N 1.00 1.11 0.29 -0.16 2.02 -1.93 -2.84 112.91 112.40 1ohj h THR 56 Ca 0.26 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1ohj h THR 56 Cb -0.03 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1ohj h THR 56 CO -0.05 0.10 -0.28 -0.25 0.37 0.00 0.00 175.52 175.42 1ohj h TRP 57 N 0.51 -0.74 0.00 3.16 2.91 -1.32 -1.08 115.95 119.39 1ohj h TRP 57 Ca 0.14 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1ohj h TRP 57 Cb -0.04 0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.89 1ohj h TRP 57 CO -0.05 -0.40 0.00 1.19 -1.03 0.00 0.00 178.44 178.15 1ohj n PHE 58 N -5.40 0.00 1.06 2.65 3.72 -0.75 -2.60 117.46 116.13 1ohj n PHE 58 Ca -0.09 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 1ohj n PHE 58 Cb 0.30 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.98 1ohj n PHE 58 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1ohj n SER 59 N -0.79 2.70 -4.73 4.37 3.41 -0.41 -4.83 113.62 113.33 1ohj n SER 59 Ca 0.07 -1.87 -0.40 0.00 -0.26 0.00 0.00 58.87 56.41 1ohj n SER 59 Cb 0.03 0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1ohj n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ohj s ILE 60 N -2.06 4.92 -0.10 -1.33 -1.09 -1.07 -4.95 121.20 115.51 1ohj s ILE 60 Ca 0.28 1.48 -0.32 0.00 -2.23 0.00 0.00 60.65 59.85 1ohj s ILE 60 Cb 0.20 -4.05 -0.10 0.00 -1.58 0.00 0.00 42.46 36.93 1ohj s ILE 60 CO 0.34 0.32 1.99 -2.65 -1.23 0.00 0.00 174.94 173.70 1ohj n PRO 61 N 3.28 2.21 -0.07 2.79 -0.02 -1.26 -4.70 135.00 137.23 1ohj n PRO 61 Ca -0.03 0.77 0.05 0.00 -2.02 0.00 0.00 63.50 62.28 1ohj n PRO 61 Cb 0.51 -2.81 0.08 0.00 -0.02 0.00 0.00 33.50 31.26 1ohj n PRO 61 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ohj n GLU 62 N 7.36 -0.00 -0.09 -0.52 4.71 -1.26 0.19 120.64 131.02 1ohj n GLU 62 Ca 0.25 0.12 -0.06 0.00 -0.01 0.00 0.00 57.16 57.46 1ohj n GLU 62 Cb 0.34 -0.26 0.01 0.00 -1.01 0.00 0.00 31.44 30.52 1ohj n GLU 62 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1ohj h LYS 63 N 0.00 0.11 -0.11 3.49 3.11 -2.01 -3.23 116.57 117.92 1ohj h LYS 63 Ca 0.10 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.93 1ohj h LYS 63 Cb 0.37 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 1ohj h LYS 63 CO -0.02 0.07 0.00 0.09 -2.81 0.00 0.00 179.45 176.79 1ohj n ASN 64 N -5.16 1.25 -4.46 4.20 3.02 0.49 -4.96 115.26 109.65 1ohj n ASN 64 Ca 0.01 -1.60 -0.33 0.00 -0.03 0.00 0.00 54.58 52.63 1ohj n ASN 64 Cb 0.17 -0.07 -0.13 0.00 -0.61 0.00 0.00 39.78 39.14 1ohj n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ohj s ARG 65 N -1.86 2.85 0.95 3.52 0.52 -1.22 -3.44 118.95 120.26 1ohj s ARG 65 Ca 0.32 -0.67 -0.12 0.00 -0.52 0.00 0.00 55.73 54.75 1ohj s ARG 65 Cb 0.17 -2.50 0.16 0.00 0.52 0.00 0.00 34.95 33.30 1ohj s ARG 65 CO 0.26 0.49 1.11 -1.25 0.02 0.00 0.00 175.30 175.94 1ohj s PRO 66 N -0.37 0.82 -0.61 3.54 0.04 -1.26 -4.90 135.00 132.26 1ohj s PRO 66 Ca 0.04 0.43 -0.27 0.00 0.04 0.00 0.00 61.00 61.24 1ohj s PRO 66 Cb -0.12 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1ohj s PRO 66 CO 0.02 -2.45 1.56 -0.51 0.04 0.00 0.00 177.00 175.67 1ohj s LEU 67 N -6.25 3.31 0.28 -3.56 1.43 -1.22 -4.95 118.68 107.72 1ohj s LEU 67 Ca 0.64 0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 53.67 1ohj s LEU 67 Cb -0.17 -2.79 -0.15 0.00 0.03 0.00 0.00 46.19 43.11 1ohj s LEU 67 CO 0.56 -1.97 0.64 1.17 0.23 0.00 0.00 176.35 176.98 1ohj n LYS 68 N 8.99 0.51 -2.57 1.70 4.81 -1.26 -3.22 118.16 127.12 1ohj n LYS 68 Ca 0.14 0.18 -0.15 0.00 -0.87 0.00 0.00 58.31 57.61 1ohj n LYS 68 Cb 0.50 -1.34 0.01 0.00 0.02 0.00 0.00 35.03 34.22 1ohj n LYS 68 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ohj n GLY 69 N 1.75 -0.15 3.46 3.14 0.00 -1.26 -4.96 105.19 107.16 1ohj n GLY 69 Ca 0.14 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 1ohj n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ohj s ARG 70 N -5.06 1.18 -0.19 1.61 0.52 -1.20 -4.22 118.95 111.58 1ohj s ARG 70 Ca 0.12 -0.22 -0.20 0.00 -0.52 0.00 0.00 55.73 54.91 1ohj s ARG 70 Cb -0.05 0.55 -0.03 0.00 0.52 0.00 0.00 34.95 35.94 1ohj s ARG 70 CO 0.15 -0.47 0.59 0.42 0.02 0.00 0.00 175.30 176.00 1ohj s ILE 71 N -2.87 5.06 -0.39 1.52 1.09 0.12 -4.78 121.20 120.94 1ohj s ILE 71 Ca -0.03 1.10 -0.19 0.00 -1.10 0.00 0.00 60.65 60.43 1ohj s ILE 71 Cb -0.01 -3.91 0.01 0.00 -1.06 0.00 0.00 42.46 37.50 1ohj s ILE 71 CO -0.05 0.14 0.57 0.20 -0.10 0.00 0.00 174.94 175.69 1ohj s ASN 72 N 1.17 6.32 -0.08 3.58 0.02 -1.26 -0.94 114.94 123.74 1ohj s ASN 72 Ca 0.27 -0.20 0.05 0.00 -1.02 0.00 0.00 52.86 51.96 1ohj s ASN 72 Cb -0.16 -2.29 -0.00 0.00 0.02 0.00 0.00 41.25 38.82 1ohj s ASN 72 CO 0.10 -0.61 -0.24 -0.22 0.02 0.00 0.00 177.10 176.15 1ohj s LEU 73 N 2.55 2.06 -0.05 0.60 0.20 -0.50 -1.15 118.68 122.39 1ohj s LEU 73 Ca 0.20 -0.53 0.03 0.00 0.69 0.00 0.00 54.13 54.52 1ohj s LEU 73 Cb -0.15 -1.37 0.01 0.00 -0.43 0.00 0.00 46.19 44.25 1ohj s LEU 73 CO 0.16 0.19 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.58 1ohj s VAL 74 N 0.13 1.18 -0.04 1.68 1.01 0.05 -2.04 120.40 122.37 1ohj s VAL 74 Ca -0.12 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1ohj s VAL 74 Cb -0.16 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1ohj s VAL 74 CO 0.06 0.36 0.21 -0.76 0.00 0.00 0.00 175.10 174.97 1ohj s LEU 75 N 0.36 4.39 -0.23 3.92 1.43 -0.31 -0.65 118.68 127.59 1ohj s LEU 75 Ca -0.09 0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 53.26 1ohj s LEU 75 Cb -0.13 -2.44 0.09 0.00 0.03 0.00 0.00 46.19 43.74 1ohj s LEU 75 CO 0.03 0.32 0.80 -0.55 0.23 0.00 0.00 176.35 177.18 1ohj s SER 76 N -1.46 -0.64 -0.10 2.29 0.15 -0.88 -2.76 113.70 110.29 1ohj s SER 76 Ca 0.23 1.12 0.04 0.00 0.70 0.00 0.00 55.95 58.03 1ohj s SER 76 Cb -0.13 1.09 -0.24 0.00 -1.71 0.00 0.00 66.02 65.03 1ohj s SER 76 CO 0.12 -0.30 0.43 0.54 1.20 0.00 0.00 173.24 175.24 1ohj n ARG 77 N 2.13 0.69 0.08 5.44 1.74 -1.26 -4.05 116.66 121.43 1ohj n ARG 77 Ca -0.14 0.25 -0.23 0.00 -0.77 0.00 0.00 57.85 56.96 1ohj n ARG 77 Cb 0.56 -1.72 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 1ohj n ARG 77 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1ohj h GLU 78 N 0.03 0.40 -7.33 5.56 5.08 -1.97 -3.49 114.58 112.86 1ohj h GLU 78 Ca -0.38 -0.68 -0.51 0.00 -1.00 0.00 0.00 59.36 56.78 1ohj h GLU 78 Cb 2.03 0.25 0.10 0.00 0.50 0.00 0.00 28.75 31.64 1ohj h GLU 78 CO 0.07 1.32 0.36 -0.51 -1.00 0.00 0.00 179.01 179.25 1ohj s LEU 79 N -7.30 3.13 0.00 1.33 1.43 -1.26 -5.01 118.68 111.00 1ohj s LEU 79 Ca -0.15 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 1ohj s LEU 79 Cb 0.05 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.77 1ohj s LEU 79 CO 0.86 -1.51 0.00 0.29 0.23 0.00 0.00 176.35 176.22 1ohj n LYS 80 N -3.16 4.72 -3.92 1.70 5.02 -1.26 -4.99 118.16 116.27 1ohj n LYS 80 Ca 0.08 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.20 1ohj n LYS 80 Cb 0.53 -0.59 -0.16 0.00 -0.02 0.00 0.00 35.03 34.79 1ohj n LYS 80 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ohj s GLU 81 N -1.16 0.29 0.53 1.97 2.56 -1.26 -5.13 118.70 116.50 1ohj s GLU 81 Ca 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 54.97 54.86 1ohj s GLU 81 Cb 0.00 -0.48 -0.10 0.00 2.00 0.00 0.00 34.13 35.55 1ohj s GLU 81 CO 0.00 -0.14 0.52 -2.30 -0.56 0.00 0.00 175.26 172.78 1ohj n PRO 82 N 4.16 0.54 -0.65 4.30 -0.02 -1.26 -4.90 135.00 137.17 1ohj n PRO 82 Ca -0.26 0.21 -0.30 0.00 -2.02 0.00 0.00 63.50 61.12 1ohj n PRO 82 Cb 0.50 -1.64 0.19 0.00 -0.02 0.00 0.00 33.50 32.53 1ohj n PRO 82 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ohj s PRO 83 N -1.93 0.44 -0.40 0.52 0.04 -1.26 -4.84 135.00 127.57 1ohj s PRO 83 Ca 0.67 1.36 -0.28 0.00 0.04 0.00 0.00 61.00 62.79 1ohj s PRO 83 Cb -0.48 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1ohj s PRO 83 CO 0.56 -2.96 1.91 -1.14 0.04 0.00 0.00 177.00 175.41 1ohj s GLN 84 N -4.59 3.03 0.00 4.56 0.74 -1.26 -1.95 119.66 120.19 1ohj s GLN 84 Ca 0.67 1.30 0.00 0.00 0.05 0.00 0.00 55.36 57.38 1ohj s GLN 84 Cb -0.23 -4.30 0.00 0.00 1.10 0.00 0.00 33.01 29.58 1ohj s GLN 84 CO 0.60 -2.22 0.00 0.41 -0.55 0.00 0.00 175.29 173.53 1ohj n GLY 85 N 5.58 2.50 3.65 2.59 0.00 -1.26 -4.90 105.19 113.35 1ohj n GLY 85 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1ohj n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ohj s ALA 86 N -2.44 1.11 -0.11 4.61 0.00 -0.82 -4.22 121.76 119.89 1ohj s ALA 86 Ca 0.00 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.23 1ohj s ALA 86 Cb 0.00 -3.31 -0.12 0.00 0.00 0.00 0.00 23.12 19.69 1ohj s ALA 86 CO 0.00 -2.79 0.01 0.72 0.00 0.00 0.00 175.76 173.70 1ohj n HIS 87 N -4.22 0.00 -4.00 0.00 -0.00 -0.30 -4.84 115.22 101.86 1ohj n HIS 87 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.68 1ohj n HIS 87 Cb 0.54 -0.52 -0.13 0.00 -0.00 0.00 0.00 29.99 29.88 1ohj n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1ohj s PHE 88 N -2.26 0.30 -0.11 4.41 0.08 -1.04 -5.03 117.98 114.33 1ohj s PHE 88 Ca -0.07 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 56.69 1ohj s PHE 88 Cb 0.03 -0.20 0.03 0.00 -0.57 0.00 0.00 43.02 42.31 1ohj s PHE 88 CO 0.41 -0.08 -0.06 -1.17 -0.10 0.00 0.00 175.22 174.23 1ohj s LEU 89 N -0.79 1.09 0.17 -0.37 2.96 -1.26 -0.77 118.68 119.72 1ohj s LEU 89 Ca -0.07 -0.29 0.10 0.00 -0.22 0.00 0.00 54.13 53.65 1ohj s LEU 89 Cb -0.05 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.83 1ohj s LEU 89 CO -0.00 -0.14 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.23 1ohj s SER 90 N 1.76 3.01 0.30 3.68 0.01 0.18 -4.93 113.70 117.71 1ohj s SER 90 Ca 0.05 -0.85 0.22 0.00 1.31 0.00 0.00 55.95 56.68 1ohj s SER 90 Cb -0.13 -0.20 0.13 0.00 0.21 0.00 0.00 66.02 66.04 1ohj s SER 90 CO -0.08 0.05 1.28 0.03 0.41 0.00 0.00 173.24 174.93 1ohj h ARG 91 N 3.31 0.00 -3.72 12.44 3.08 -1.86 -2.34 114.38 125.29 1ohj h ARG 91 Ca -0.45 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.50 1ohj h ARG 91 Cb 1.20 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.10 1ohj h ARG 91 CO 0.48 0.02 -0.41 0.45 -1.07 0.00 0.00 179.97 179.45 1ohj s SER 92 N -5.75 0.11 0.10 7.04 0.15 -1.26 -4.57 113.70 109.51 1ohj s SER 92 Ca 0.03 -0.54 -0.23 0.00 0.70 0.00 0.00 55.95 55.91 1ohj s SER 92 Cb 0.08 0.30 -0.11 0.00 -1.71 0.00 0.00 66.02 64.58 1ohj s SER 92 CO 0.74 -0.63 1.72 0.25 1.20 0.00 0.00 173.24 176.52 1ohj h LEU 93 N 3.15 -0.11 -2.48 3.45 5.85 -2.00 -2.98 115.31 120.19 1ohj h LEU 93 Ca -0.33 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.43 1ohj h LEU 93 Cb 1.19 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1ohj h LEU 93 CO 0.53 -0.05 0.14 -0.78 -0.34 0.00 0.00 178.44 177.93 1ohj h ASP 94 N -0.05 0.00 0.14 1.25 1.82 -1.99 0.33 116.42 117.93 1ohj h ASP 94 Ca 0.03 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.36 1ohj h ASP 94 Cb 0.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1ohj h ASP 94 CO -0.06 0.00 -1.55 0.44 -1.61 0.00 0.00 179.24 176.45 1ohj h ASP 95 N 0.00 0.47 0.01 2.28 5.19 -1.95 -2.33 116.42 120.10 1ohj h ASP 95 Ca 0.03 -0.89 0.02 0.00 -0.62 0.00 0.00 57.03 55.57 1ohj h ASP 95 Cb 0.31 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 1ohj h ASP 95 CO -0.00 1.69 -0.14 0.00 -3.12 0.00 0.00 179.24 177.67 1ohj h ALA 96 N 0.02 -0.17 0.07 3.45 0.00 -0.24 0.22 119.26 122.60 1ohj h ALA 96 Ca -0.32 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ohj h ALA 96 Cb 1.90 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.92 1ohj h ALA 96 CO 0.11 -0.64 -0.04 -0.07 0.00 0.00 0.00 179.25 178.61 1ohj h LEU 97 N -0.24 -0.10 -1.84 0.00 3.38 -1.33 -1.87 115.31 113.31 1ohj h LEU 97 Ca 0.04 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1ohj h LEU 97 Cb 0.29 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1ohj h LEU 97 CO -0.13 -0.07 0.52 0.50 0.09 0.00 0.00 178.44 179.35 1ohj h LYS 98 N -0.11 0.00 -0.21 1.13 3.64 -0.83 0.23 116.57 120.43 1ohj h LYS 98 Ca -0.01 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1ohj h LYS 98 Cb 0.09 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1ohj h LYS 98 CO 0.01 0.00 -0.13 1.25 -2.27 0.00 0.00 179.45 178.30 1ohj h LEU 99 N 0.00 0.48 -0.19 5.20 5.85 0.28 -3.12 115.31 123.81 1ohj h LEU 99 Ca 0.18 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1ohj h LEU 99 Cb 1.21 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1ohj h LEU 99 CO -0.00 0.81 0.00 0.35 -0.34 0.00 0.00 178.44 179.26 1ohj n THR 100 N -4.51 0.72 0.08 1.05 -2.24 0.79 -2.47 114.28 107.70 1ohj n THR 100 Ca -0.05 0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.81 1ohj n THR 100 Cb 0.35 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.65 1ohj n THR 100 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ohj h GLU 101 N 0.00 0.04 -6.09 -0.78 4.39 -1.46 -1.79 114.58 108.89 1ohj h GLU 101 Ca 0.00 -0.05 -0.64 0.00 0.34 0.00 0.00 59.36 59.01 1ohj h GLU 101 Cb 0.38 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1ohj h GLU 101 CO 0.00 0.91 1.29 1.04 -1.16 0.00 0.00 179.01 181.09 1ohj n GLN 102 N -3.51 1.63 0.15 2.33 1.13 -1.03 -4.68 117.38 113.38 1ohj n GLN 102 Ca -0.01 0.52 0.02 0.00 -1.94 0.00 0.00 57.00 55.59 1ohj n GLN 102 Cb 0.84 -2.65 0.12 0.00 0.11 0.00 0.00 30.24 28.66 1ohj n GLN 102 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1ohj n PRO 103 N 7.61 0.04 0.00 -1.09 -0.02 -1.26 0.16 135.00 140.44 1ohj n PRO 103 Ca 0.32 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 1ohj n PRO 103 Cb 0.29 -2.18 0.25 0.00 -0.02 0.00 0.00 33.50 31.84 1ohj n PRO 103 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ohj n GLU 104 N -1.78 0.40 0.00 -0.52 -0.58 -1.26 -3.42 120.64 113.48 1ohj n GLU 104 Ca -0.00 -0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.48 1ohj n GLU 104 Cb 0.57 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 1ohj n GLU 104 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1ohj n LEU 105 N -1.08 0.40 0.01 -4.62 7.94 0.41 -4.56 117.00 115.51 1ohj n LEU 105 Ca 0.08 -0.52 -0.16 0.00 -1.11 0.00 0.00 56.01 54.31 1ohj n LEU 105 Cb 0.35 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.25 1ohj n LEU 105 CO 0.32 0.10 0.26 0.00 -1.11 0.00 0.00 177.39 176.96 1ohj h ALA 106 N 0.00 0.36 0.00 1.96 0.00 -0.27 -3.08 119.26 118.23 1ohj h ALA 106 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ohj h ALA 106 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ohj h ALA 106 CO 0.00 0.71 -0.69 0.09 0.00 0.00 0.00 179.25 179.36 1ohj n ASN 107 N -3.89 0.65 -0.00 0.00 3.02 -1.25 -3.98 115.26 109.81 1ohj n ASN 107 Ca -0.07 -0.44 0.06 0.00 -0.03 0.00 0.00 54.58 54.10 1ohj n ASN 107 Cb 0.76 0.50 -0.07 0.00 -0.61 0.00 0.00 39.78 40.36 1ohj n ASN 107 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1ohj n LYS 108 N -1.56 2.71 -4.26 3.52 2.85 -1.23 -4.87 118.16 115.33 1ohj n LYS 108 Ca 0.05 -0.02 -0.34 0.00 -1.05 0.00 0.00 58.31 56.95 1ohj n LYS 108 Cb 0.35 -1.09 -0.08 0.00 -0.65 0.00 0.00 35.03 33.55 1ohj n LYS 108 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1ohj s VAL 109 N -2.22 4.41 0.00 0.58 0.11 -1.16 -1.96 120.40 120.15 1ohj s VAL 109 Ca 0.03 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 1ohj s VAL 109 Cb 0.09 -2.93 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 1ohj s VAL 109 CO 0.49 0.46 0.00 -0.67 -3.33 0.00 0.00 175.10 172.05 1ohj n ASP 110 N 1.64 0.00 -4.90 3.54 2.03 0.22 -4.67 116.55 114.41 1ohj n ASP 110 Ca -0.16 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.81 1ohj n ASP 110 Cb 0.53 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.88 1ohj n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1ohj s MET 111 N 0.00 3.44 -0.11 -0.67 -1.94 -1.26 -3.54 119.30 115.21 1ohj s MET 111 Ca 0.00 -0.30 -0.02 0.00 -1.71 0.00 0.00 55.69 53.66 1ohj s MET 111 Cb 0.00 -3.10 -0.03 0.00 2.01 0.00 0.00 34.83 33.71 1ohj s MET 111 CO 0.00 0.69 -0.04 0.14 -0.01 0.00 0.00 175.02 175.79 1ohj s VAL 112 N -1.30 3.90 -0.14 -6.03 -7.23 0.13 -1.14 120.40 108.58 1ohj s VAL 112 Ca 0.26 -0.38 0.02 0.00 -1.81 0.00 0.00 61.98 60.07 1ohj s VAL 112 Cb -0.13 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.17 1ohj s VAL 112 CO 0.17 0.55 -0.21 0.26 -0.31 0.00 0.00 175.10 175.56 1ohj s TRP 113 N -0.24 2.69 -0.59 2.82 0.52 -0.26 -1.27 118.94 122.62 1ohj s TRP 113 Ca 0.04 -1.31 -0.20 0.00 0.02 0.00 0.00 56.10 54.65 1ohj s TRP 113 Cb -0.13 -1.83 0.08 0.00 -1.15 0.00 0.00 33.47 30.44 1ohj s TRP 113 CO 0.02 -0.60 0.77 0.42 0.02 0.00 0.00 176.95 177.59 1ohj s ILE 114 N 0.82 4.66 -1.50 2.03 1.01 0.37 -2.18 121.20 126.41 1ohj s ILE 114 Ca -0.07 -0.60 0.12 0.00 0.00 0.00 0.00 60.65 60.10 1ohj s ILE 114 Cb -0.15 -4.50 0.43 0.00 0.01 0.00 0.00 42.46 38.24 1ohj s ILE 114 CO -0.02 -1.14 1.30 1.33 0.00 0.00 0.00 174.94 176.42 1ohj n VAL 115 N 5.72 0.96 0.00 2.92 0.24 -0.79 -2.27 118.33 125.11 1ohj n VAL 115 Ca -0.06 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 1ohj n VAL 115 Cb 0.44 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1ohj n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ohj n GLY 116 N 0.93 1.17 0.00 7.63 0.00 -1.25 -4.93 105.19 108.73 1ohj n GLY 116 Ca 0.16 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1ohj n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ohj n GLY 117 N -0.11 0.91 0.33 -0.02 0.00 -1.26 -1.39 105.19 103.65 1ohj n GLY 117 Ca 0.00 -1.43 0.18 0.00 0.00 0.00 0.00 46.02 44.76 1ohj n GLY 117 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ohj h SER 118 N 0.00 0.00 0.00 1.61 0.87 -1.96 -2.20 113.55 111.86 1ohj h SER 118 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 1ohj h SER 118 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1ohj h SER 118 CO 0.00 0.00 -1.67 -1.54 -0.53 0.00 0.00 176.83 173.09 1ohj n SER 119 N -3.53 2.62 -0.31 6.23 3.41 -1.26 -4.13 113.62 116.65 1ohj n SER 119 Ca -0.01 -0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.56 1ohj n SER 119 Cb 0.24 0.72 0.08 0.00 -0.26 0.00 0.00 64.21 64.99 1ohj n SER 119 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1ohj h VAL 120 N 0.00 1.23 0.15 -3.33 2.07 -1.87 -2.57 116.25 111.94 1ohj h VAL 120 Ca -0.26 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1ohj h VAL 120 Cb 1.59 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1ohj h VAL 120 CO 0.01 0.24 -0.46 1.88 0.02 0.00 0.00 177.57 179.27 1ohj h TYR 121 N 1.16 -1.29 -0.50 1.57 0.05 -1.59 -1.96 116.97 114.41 1ohj h TYR 121 Ca 0.30 0.03 0.13 0.00 0.05 0.00 0.00 58.73 59.24 1ohj h TYR 121 Cb -0.05 0.54 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 1ohj h TYR 121 CO -0.00 -0.55 0.35 -0.22 -1.05 0.00 0.00 178.16 176.69 1ohj h LYS 122 N -0.71 0.08 0.00 4.88 3.64 -1.66 0.13 116.57 122.92 1ohj h LYS 122 Ca 0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ohj h LYS 122 Cb 0.72 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1ohj h LYS 122 CO -0.24 0.05 -1.22 -0.85 -2.27 0.00 0.00 179.45 174.92 1ohj n GLU 123 N -4.41 0.22 0.16 1.90 0.28 -0.99 -3.42 120.64 114.37 1ohj n GLU 123 Ca 0.09 -0.05 0.06 0.00 -0.16 0.00 0.00 57.16 57.10 1ohj n GLU 123 Cb 0.52 -1.52 0.07 0.00 1.43 0.00 0.00 31.44 31.93 1ohj n GLU 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ohj h ALA 124 N 2.66 0.77 0.00 -1.84 0.00 -0.91 -3.12 119.26 116.83 1ohj h ALA 124 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ohj h ALA 124 Cb 0.67 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ohj h ALA 124 CO 0.00 0.39 -1.57 -1.33 0.00 0.00 0.00 179.25 176.74 1ohj n MET 125 N -3.12 0.64 0.00 0.00 2.81 0.40 -4.25 117.12 113.60 1ohj n MET 125 Ca 0.02 -0.06 0.11 0.00 -1.81 0.00 0.00 57.70 55.96 1ohj n MET 125 Cb 0.66 -1.65 0.08 0.00 -0.71 0.00 0.00 33.22 31.60 1ohj n MET 125 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ohj n ASN 126 N -2.44 0.99 -4.70 7.83 3.02 -1.22 -4.89 115.26 113.85 1ohj n ASN 126 Ca -0.02 -0.82 -0.42 0.00 -0.03 0.00 0.00 54.58 53.29 1ohj n ASN 126 Cb 0.57 0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 40.27 1ohj n ASN 126 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1ohj s HIS 127 N -2.86 3.37 1.38 3.10 2.46 -1.18 -5.03 115.29 116.54 1ohj s HIS 127 Ca 0.13 1.35 -0.20 0.00 0.47 0.00 0.00 55.06 56.80 1ohj s HIS 127 Cb 0.17 -3.36 0.36 0.00 -0.13 0.00 0.00 32.58 29.62 1ohj s HIS 127 CO 0.73 -1.01 0.94 -1.25 -2.47 0.00 0.00 174.74 171.67 1ohj s PRO 128 N 1.62 -2.61 3.02 2.88 0.04 -1.26 -4.88 135.00 133.81 1ohj s PRO 128 Ca 0.56 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1ohj s PRO 128 Cb -0.25 -1.40 0.00 0.00 0.04 0.00 0.00 34.50 32.89 1ohj s PRO 128 CO 0.25 -4.72 0.00 0.41 0.04 0.00 0.00 177.00 172.98 1ohj n GLY 129 N 1.50 -0.36 3.79 0.56 0.00 -1.26 -4.84 105.19 104.59 1ohj n GLY 129 Ca 0.09 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 1ohj n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ohj s HIS 130 N 0.00 3.75 -0.15 1.61 5.65 -1.26 -3.24 115.29 121.65 1ohj s HIS 130 Ca 0.00 1.24 -0.10 0.00 0.25 0.00 0.00 55.06 56.45 1ohj s HIS 130 Cb 0.00 -2.55 0.05 0.00 -1.18 0.00 0.00 32.58 28.89 1ohj s HIS 130 CO 0.00 0.47 0.37 -1.17 -0.65 0.00 0.00 174.74 173.76 1ohj s LEU 131 N -0.67 0.26 0.04 8.88 2.96 -1.09 -4.71 118.68 124.35 1ohj s LEU 131 Ca 0.30 0.78 0.05 0.00 -0.22 0.00 0.00 54.13 55.03 1ohj s LEU 131 Cb -0.19 1.22 -0.04 0.00 0.50 0.00 0.00 46.19 47.68 1ohj s LEU 131 CO 0.18 -0.16 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.43 1ohj s LYS 132 N 0.91 2.42 -0.10 1.98 1.02 -1.05 -2.89 119.74 122.02 1ohj s LYS 132 Ca -0.06 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 55.15 1ohj s LYS 132 Cb -0.06 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 1ohj s LYS 132 CO -0.07 0.57 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.20 1ohj s LEU 133 N -1.66 2.02 -0.54 3.17 1.02 0.18 -1.52 118.68 121.34 1ohj s LEU 133 Ca 0.18 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.81 1ohj s LEU 133 Cb -0.11 -1.33 0.14 0.00 0.02 0.00 0.00 46.19 44.91 1ohj s LEU 133 CO 0.09 0.13 0.32 -0.36 0.02 0.00 0.00 176.35 176.56 1ohj s PHE 134 N 0.46 3.38 -0.35 0.29 0.40 -0.55 0.38 117.98 121.99 1ohj s PHE 134 Ca -0.17 -2.87 -0.12 0.00 -0.60 0.00 0.00 56.93 53.17 1ohj s PHE 134 Cb -0.17 -3.05 -0.00 0.00 0.51 0.00 0.00 43.02 40.30 1ohj s PHE 134 CO 0.07 -0.83 0.23 0.08 0.70 0.00 0.00 175.22 175.46 1ohj s VAL 135 N 0.05 5.04 -0.13 -0.44 1.01 -0.97 -0.54 120.40 124.42 1ohj s VAL 135 Ca 0.16 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.51 1ohj s VAL 135 Cb -0.22 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1ohj s VAL 135 CO -0.03 -0.07 0.57 -0.89 0.00 0.00 0.00 175.10 174.68 1ohj s THR 136 N 1.67 5.11 -0.37 3.92 2.01 -0.27 -1.24 115.64 126.47 1ohj s THR 136 Ca 0.05 1.13 -0.06 0.00 0.31 0.00 0.00 61.69 63.11 1ohj s THR 136 Cb -0.18 -3.90 0.06 0.00 0.01 0.00 0.00 72.50 68.49 1ohj s THR 136 CO 0.09 0.24 0.15 -0.13 -0.69 0.00 0.00 174.62 174.29 1ohj s ARG 137 N 1.06 2.52 0.01 4.92 1.81 -0.20 -1.36 118.95 127.72 1ohj s ARG 137 Ca 0.29 -1.34 -0.30 0.00 -1.72 0.00 0.00 55.73 52.66 1ohj s ARG 137 Cb -0.16 -3.54 -0.04 0.00 -0.45 0.00 0.00 34.95 30.76 1ohj s ARG 137 CO 0.12 -0.79 1.11 0.42 -0.68 0.00 0.00 175.30 175.47 1ohj s ILE 138 N 1.36 4.42 -1.16 1.52 1.09 -0.34 -2.11 121.20 125.98 1ohj s ILE 138 Ca 0.01 1.74 -0.05 0.00 -1.10 0.00 0.00 60.65 61.24 1ohj s ILE 138 Cb -0.21 -4.11 0.24 0.00 -1.06 0.00 0.00 42.46 37.32 1ohj s ILE 138 CO 0.01 0.11 1.85 0.23 -0.10 0.00 0.00 174.94 177.05 1ohj n MET 139 N 4.14 4.59 -3.63 2.79 2.81 0.95 -2.69 117.12 126.08 1ohj n MET 139 Ca 0.08 -4.14 -0.01 0.00 -1.81 0.00 0.00 57.70 51.82 1ohj n MET 139 Cb 0.48 -2.61 -0.01 0.00 -0.71 0.00 0.00 33.22 30.37 1ohj n MET 139 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1ohj s GLN 140 N -2.19 0.52 -0.12 0.03 -2.07 -1.26 -4.63 119.66 109.95 1ohj s GLN 140 Ca 0.40 -0.27 -0.03 0.00 -1.82 0.00 0.00 55.36 53.64 1ohj s GLN 140 Cb 0.13 0.19 -0.03 0.00 -1.09 0.00 0.00 33.01 32.20 1ohj s GLN 140 CO -0.02 -0.24 -0.00 -0.51 -1.32 0.00 0.00 175.29 173.20 1ohj s ASP 141 N -2.77 5.16 0.11 12.60 1.11 -1.26 0.39 116.67 132.01 1ohj s ASP 141 Ca 0.12 0.06 0.06 0.00 0.18 0.00 0.00 52.55 52.97 1ohj s ASP 141 Cb 0.02 -1.61 -0.04 0.00 1.07 0.00 0.00 42.92 42.37 1ohj s ASP 141 CO -0.03 0.30 -0.14 -0.36 1.18 0.00 0.00 175.17 176.11 1ohj s PHE 142 N -0.40 1.39 -0.57 4.23 0.40 -1.26 -4.95 117.98 116.82 1ohj s PHE 142 Ca 0.07 -0.53 -0.23 0.00 -0.60 0.00 0.00 56.93 55.65 1ohj s PHE 142 Cb -0.12 -0.74 0.05 0.00 0.51 0.00 0.00 43.02 42.72 1ohj s PHE 142 CO 0.02 0.13 0.89 -2.00 0.70 0.00 0.00 175.22 174.96 1ohj s GLU 143 N -2.46 3.24 0.13 0.44 2.12 -1.26 -4.79 118.70 116.13 1ohj s GLU 143 Ca 0.07 -0.51 0.07 0.00 0.36 0.00 0.00 54.97 54.96 1ohj s GLU 143 Cb -0.06 -4.10 -0.04 0.00 0.26 0.00 0.00 34.13 30.19 1ohj s GLU 143 CO 0.03 -1.51 -0.17 -1.12 -0.54 0.00 0.00 175.26 171.94 1ohj s SER 144 N 3.01 2.39 0.00 -1.70 0.01 -1.26 -4.68 113.70 111.47 1ohj s SER 144 Ca 0.26 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.72 1ohj s SER 144 Cb -0.15 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1ohj s SER 144 CO 0.16 -0.05 0.75 -0.90 0.41 0.00 0.00 173.24 173.61 1ohj n ASP 145 N 0.60 1.11 -3.69 2.44 5.68 0.11 -4.96 116.55 117.85 1ohj n ASP 145 Ca -0.16 -1.53 -0.14 0.00 -0.50 0.00 0.00 54.79 52.46 1ohj n ASP 145 Cb 0.56 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.40 1ohj n ASP 145 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1ohj s THR 146 N -0.53 -0.27 0.11 2.12 -1.32 -1.23 -5.02 115.64 109.50 1ohj s THR 146 Ca 0.00 0.26 0.07 0.00 -1.21 0.00 0.00 61.69 60.81 1ohj s THR 146 Cb 0.00 -0.38 -0.04 0.00 -1.51 0.00 0.00 72.50 70.57 1ohj s THR 146 CO 0.00 0.11 -0.18 -0.36 -2.21 0.00 0.00 174.62 171.98 1ohj s PHE 147 N 2.02 1.61 0.01 9.09 0.08 -1.26 -1.95 117.98 127.59 1ohj s PHE 147 Ca -0.02 -0.46 -0.30 0.00 0.12 0.00 0.00 56.93 56.28 1ohj s PHE 147 Cb -0.12 -0.87 -0.03 0.00 -0.57 0.00 0.00 43.02 41.43 1ohj s PHE 147 CO -0.08 0.18 1.01 0.12 -0.10 0.00 0.00 175.22 176.35 1ohj s PHE 148 N -1.48 3.64 0.18 0.36 5.36 -0.37 -4.88 117.98 120.79 1ohj s PHE 148 Ca 0.06 1.65 -0.33 0.00 -0.96 0.00 0.00 56.93 57.36 1ohj s PHE 148 Cb -0.09 -3.16 -0.14 0.00 -0.34 0.00 0.00 43.02 39.30 1ohj s PHE 148 CO 0.04 -0.17 1.51 -0.35 -1.46 0.00 0.00 175.22 174.80 1ohj n PRO 149 N 3.87 2.08 -1.59 10.12 -0.04 -1.26 -4.85 135.00 143.32 1ohj n PRO 149 Ca 0.06 0.75 -0.42 0.00 -0.04 0.00 0.00 63.50 63.84 1ohj n PRO 149 Cb 0.50 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1ohj n PRO 149 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ohj n GLU 150 N 2.93 1.26 -3.03 0.54 0.28 -1.26 -4.94 120.64 116.43 1ohj n GLU 150 Ca 0.15 0.45 -0.40 0.00 -0.16 0.00 0.00 57.16 57.21 1ohj n GLU 150 Cb 0.29 -1.92 -0.05 0.00 1.43 0.00 0.00 31.44 31.20 1ohj n GLU 150 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1ohj s ILE 151 N -1.23 5.01 -1.14 3.84 1.01 -1.26 -4.96 121.20 122.47 1ohj s ILE 151 Ca 0.62 1.48 -0.15 0.00 0.00 0.00 0.00 60.65 62.59 1ohj s ILE 151 Cb -0.61 -4.05 0.15 0.00 0.01 0.00 0.00 42.46 37.96 1ohj s ILE 151 CO 0.58 0.26 1.38 -0.62 0.00 0.00 0.00 174.94 176.54 1ohj s ASP 152 N 0.71 6.93 0.00 3.58 2.15 -1.26 -4.85 116.67 123.93 1ohj s ASP 152 Ca 0.38 -2.69 0.00 0.00 0.43 0.00 0.00 52.55 50.67 1ohj s ASP 152 Cb -0.18 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1ohj s ASP 152 CO 0.19 -0.87 0.23 0.00 -0.17 0.00 0.00 175.17 174.55 1ohj n LEU 153 N 6.15 0.00 0.00 -1.34 -0.00 -1.26 0.87 117.00 121.42 1ohj n LEU 153 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.35 1ohj n LEU 153 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1ohj n LEU 153 CO 0.61 0.00 0.48 -1.84 -0.00 0.00 0.00 177.39 176.64 1ohj n GLU 154 N -0.70 2.74 0.00 1.47 0.28 -1.26 -4.38 120.64 118.79 1ohj n GLU 154 Ca 0.00 -1.43 0.00 0.00 -0.16 0.00 0.00 57.16 55.57 1ohj n GLU 154 Cb 0.00 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 31.89 1ohj n GLU 154 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1ohj n LYS 155 N -0.46 1.92 -3.95 3.44 3.00 0.15 -5.00 118.16 117.26 1ohj n LYS 155 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1ohj n LYS 155 Cb 0.25 -0.92 -0.13 0.00 0.00 0.00 0.00 35.03 34.23 1ohj n LYS 155 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1ohj s TYR 156 N -1.83 3.00 -0.40 5.64 2.02 0.25 -4.42 117.35 121.60 1ohj s TYR 156 Ca 0.00 -0.71 -0.13 0.00 -0.37 0.00 0.00 57.07 55.86 1ohj s TYR 156 Cb 0.00 -2.12 0.03 0.00 -0.40 0.00 0.00 41.96 39.48 1ohj s TYR 156 CO 0.00 -0.42 0.27 0.21 -1.57 0.00 0.00 175.55 174.04 1ohj s LYS 157 N 1.34 2.89 -0.42 -0.62 2.47 0.25 -4.29 119.74 121.37 1ohj s LYS 157 Ca 0.04 -1.10 -0.28 0.00 -1.56 0.00 0.00 55.97 53.07 1ohj s LYS 157 Cb -0.14 -3.89 0.00 0.00 -1.46 0.00 0.00 37.83 32.33 1ohj s LYS 157 CO -0.00 -0.77 1.53 -1.17 0.16 0.00 0.00 175.35 175.09 1ohj s LEU 158 N 1.61 3.53 -0.17 5.43 2.96 -1.26 -0.64 118.68 130.14 1ohj s LEU 158 Ca 0.04 0.84 -0.29 0.00 -0.22 0.00 0.00 54.13 54.50 1ohj s LEU 158 Cb -0.20 -3.42 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 1ohj s LEU 158 CO 0.08 -1.59 1.30 -0.76 -1.32 0.00 0.00 176.35 174.07 1ohj s LEU 159 N 6.05 4.15 -0.28 -0.68 1.43 0.08 -4.98 118.68 124.45 1ohj s LEU 159 Ca 0.65 1.67 -0.29 0.00 -1.03 0.00 0.00 54.13 55.13 1ohj s LEU 159 Cb -0.15 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.54 1ohj s LEU 159 CO 0.31 -0.82 1.10 -2.16 0.23 0.00 0.00 176.35 175.01 1ohj s PRO 160 N 3.64 4.12 -0.31 1.29 0.04 -1.26 -4.51 135.00 138.00 1ohj s PRO 160 Ca 0.56 1.21 -0.10 0.00 0.04 0.00 0.00 61.00 62.71 1ohj s PRO 160 Cb -0.22 -3.73 0.01 0.00 0.04 0.00 0.00 34.50 30.61 1ohj s PRO 160 CO 0.17 -0.83 0.26 -0.85 0.04 0.00 0.00 177.00 175.78 1ohj n GLU 161 N 6.75 -2.43 -3.61 4.56 0.00 -1.26 -5.06 120.64 119.58 1ohj n GLU 161 Ca 0.12 2.08 -0.31 0.00 0.00 0.00 0.00 57.16 59.06 1ohj n GLU 161 Cb 0.47 -4.30 -0.04 0.00 0.00 0.00 0.00 31.44 27.56 1ohj n GLU 161 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1ohj s TYR 162 N -1.79 3.47 0.04 -1.84 5.04 -1.26 -5.06 117.35 115.95 1ohj s TYR 162 Ca 0.12 0.58 -0.30 0.00 -2.44 0.00 0.00 57.07 55.03 1ohj s TYR 162 Cb -0.03 -2.03 -0.09 0.00 0.35 0.00 0.00 41.96 40.17 1ohj s TYR 162 CO 0.66 0.38 1.85 -1.25 -1.34 0.00 0.00 175.55 175.85 1ohj s PRO 163 N -2.84 4.15 0.00 4.97 0.04 -1.26 -2.74 135.00 137.32 1ohj s PRO 163 Ca 0.42 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.97 1ohj s PRO 163 Cb -0.12 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1ohj s PRO 163 CO 0.25 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.81 1ohj n GLY 164 N 4.35 0.41 2.89 0.56 0.00 -1.26 -5.03 105.19 107.11 1ohj n GLY 164 Ca 0.19 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1ohj n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ohj s VAL 165 N -2.00 1.28 -0.49 1.61 1.01 -1.11 -5.07 120.40 115.63 1ohj s VAL 165 Ca 0.00 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 1ohj s VAL 165 Cb 0.00 -1.57 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 1ohj s VAL 165 CO 0.00 -0.08 2.36 -0.22 0.00 0.00 0.00 175.10 177.16 1ohj s LEU 166 N 1.52 3.40 0.00 3.92 2.96 -1.26 -4.63 118.68 124.59 1ohj s LEU 166 Ca -0.04 1.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.96 1ohj s LEU 166 Cb -0.18 -2.54 0.23 0.00 0.50 0.00 0.00 46.19 44.20 1ohj s LEU 166 CO -0.07 -2.82 0.88 -1.20 -1.32 0.00 0.00 176.35 171.83 1ohj n SER 167 N 15.57 0.00 -4.91 3.68 7.64 -1.26 -4.37 113.62 129.96 1ohj n SER 167 Ca 0.35 0.10 -0.20 0.00 1.01 0.00 0.00 58.87 60.13 1ohj n SER 167 Cb 0.54 -0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.54 1ohj n SER 167 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1ohj s ASP 168 N -2.37 5.17 0.17 6.43 -4.77 -1.26 -4.81 116.67 115.23 1ohj s ASP 168 Ca 0.05 -0.70 -0.30 0.00 -3.30 0.00 0.00 52.55 48.29 1ohj s ASP 168 Cb 0.03 -0.51 -0.08 0.00 -1.09 0.00 0.00 42.92 41.27 1ohj s ASP 168 CO 0.06 -0.73 1.29 -0.69 0.70 0.00 0.00 175.17 175.80 1ohj s VAL 169 N -2.47 3.38 0.25 2.11 1.01 -1.26 -4.50 120.40 118.92 1ohj s VAL 169 Ca 0.50 1.09 0.11 0.00 0.00 0.00 0.00 61.98 63.68 1ohj s VAL 169 Cb -0.05 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1ohj s VAL 169 CO 0.29 0.14 -0.20 -1.10 0.00 0.00 0.00 175.10 174.23 1ohj s GLN 170 N 0.22 1.61 -0.16 2.72 -1.52 -0.76 -4.95 119.66 116.81 1ohj s GLN 170 Ca 0.58 -1.70 -0.12 0.00 -1.95 0.00 0.00 55.36 52.17 1ohj s GLN 170 Cb -0.35 -1.71 0.05 0.00 -0.22 0.00 0.00 33.01 30.77 1ohj s GLN 170 CO 0.35 0.33 0.40 -2.00 -0.25 0.00 0.00 175.29 174.12 1ohj s GLU 171 N -3.35 0.43 -0.02 2.91 2.12 -1.26 -0.69 118.70 118.84 1ohj s GLU 171 Ca 0.27 0.64 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1ohj s GLU 171 Cb -0.05 0.12 0.03 0.00 0.26 0.00 0.00 34.13 34.49 1ohj s GLU 171 CO 0.13 -0.10 0.02 -2.00 -0.54 0.00 0.00 175.26 172.78 1ohj s GLU 172 N 0.69 0.04 -1.62 4.30 2.12 -0.92 -4.89 118.70 118.42 1ohj s GLU 172 Ca -0.04 0.16 -0.13 0.00 0.36 0.00 0.00 54.97 55.32 1ohj s GLU 172 Cb -0.05 -0.29 0.13 0.00 0.26 0.00 0.00 34.13 34.17 1ohj s GLU 172 CO -0.05 -0.16 0.32 1.63 -0.54 0.00 0.00 175.26 176.46 1ohj n LYS 173 N 4.15 -0.82 -0.93 4.30 5.02 -1.26 -0.89 118.16 127.73 1ohj n LYS 173 Ca -0.27 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1ohj n LYS 173 Cb 0.50 -3.93 0.00 0.00 -0.02 0.00 0.00 35.03 31.58 1ohj n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ohj n GLY 174 N -1.65 0.62 3.58 0.72 0.00 -1.26 -5.00 105.19 102.20 1ohj n GLY 174 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1ohj n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ohj s ILE 175 N -2.70 4.92 -0.05 -0.61 1.01 -0.06 -5.09 121.20 118.62 1ohj s ILE 175 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 1ohj s ILE 175 Cb 0.00 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1ohj s ILE 175 CO 0.00 0.35 0.25 -0.54 0.00 0.00 0.00 174.94 175.00 1ohj s LYS 176 N 1.20 3.60 -0.08 2.79 -0.14 -1.25 -2.15 119.74 123.70 1ohj s LYS 176 Ca 0.06 0.03 -0.31 0.00 -1.36 0.00 0.00 55.97 54.39 1ohj s LYS 176 Cb -0.14 -3.17 0.09 0.00 -1.68 0.00 0.00 37.83 32.93 1ohj s LYS 176 CO 0.05 0.72 0.77 1.52 -0.76 0.00 0.00 175.35 177.65 1ohj s TYR 177 N -1.12 -0.58 0.12 3.18 -0.85 0.13 -0.03 117.35 118.20 1ohj s TYR 177 Ca 0.21 1.00 0.04 0.00 -0.52 0.00 0.00 57.07 57.79 1ohj s TYR 177 Cb -0.14 0.42 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 1ohj s TYR 177 CO 0.10 -0.53 -0.10 -1.59 -1.52 0.00 0.00 175.55 171.90 1ohj s LYS 178 N -1.16 0.94 -0.30 -3.49 0.00 -0.90 -1.83 119.74 113.01 1ohj s LYS 178 Ca -0.08 -1.27 -0.22 0.00 0.00 0.00 0.00 55.97 54.40 1ohj s LYS 178 Cb -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 37.83 37.23 1ohj s LYS 178 CO 0.08 0.09 0.71 -0.06 0.00 0.00 0.00 175.35 176.16 1ohj s PHE 179 N -2.73 3.22 0.30 1.78 0.08 -1.26 -1.04 117.98 118.33 1ohj s PHE 179 Ca 0.10 0.74 0.11 0.00 0.12 0.00 0.00 56.93 57.99 1ohj s PHE 179 Cb -0.01 -3.07 -0.05 0.00 -0.57 0.00 0.00 43.02 39.31 1ohj s PHE 179 CO 0.00 -0.49 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.32 1ohj s GLU 180 N 2.76 1.90 -0.21 0.44 2.02 -0.38 -4.66 118.70 120.58 1ohj s GLU 180 Ca 0.29 -1.72 -0.04 0.00 0.02 0.00 0.00 54.97 53.52 1ohj s GLU 180 Cb -0.15 -1.87 0.11 0.00 0.10 0.00 0.00 34.13 32.32 1ohj s GLU 180 CO 0.11 0.27 0.35 0.14 0.02 0.00 0.00 175.26 176.16 1ohj s VAL 181 N -2.49 -0.56 -0.03 2.63 -7.23 -1.25 -2.30 120.40 109.17 1ohj s VAL 181 Ca 0.32 0.04 -0.00 0.00 -1.81 0.00 0.00 61.98 60.53 1ohj s VAL 181 Cb -0.03 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.17 1ohj s VAL 181 CO 0.17 -0.04 0.02 -0.31 -0.31 0.00 0.00 175.10 174.63 1ohj s TYR 182 N 2.52 3.17 0.10 2.82 1.51 0.16 -0.74 117.35 126.88 1ohj s TYR 182 Ca 0.06 0.16 0.05 0.00 -1.01 0.00 0.00 57.07 56.33 1ohj s TYR 182 Cb -0.14 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 1ohj s TYR 182 CO -0.13 0.49 -0.12 -2.00 -1.11 0.00 0.00 175.55 172.68 1ohj s GLU 183 N -1.36 0.90 -0.02 -0.62 2.12 0.19 0.51 118.70 120.41 1ohj s GLU 183 Ca 0.18 -1.14 -0.02 0.00 0.36 0.00 0.00 54.97 54.35 1ohj s GLU 183 Cb -0.12 -0.72 0.01 0.00 0.26 0.00 0.00 34.13 33.56 1ohj s GLU 183 CO 0.08 0.13 0.06 0.21 -0.54 0.00 0.00 175.26 175.20 1ohj s LYS 184 N -2.52 0.07 -0.47 4.30 2.20 -1.14 0.87 119.74 123.06 1ohj s LYS 184 Ca 0.05 0.09 0.06 0.00 -0.36 0.00 0.00 55.97 55.81 1ohj s LYS 184 Cb -0.05 0.02 0.25 0.00 -1.51 0.00 0.00 37.83 36.54 1ohj s LYS 184 CO 0.02 -0.01 0.81 -1.71 -0.36 0.00 0.00 175.35 174.10 1ohj n ASN 185 N 3.09 -2.18 0.00 1.43 4.05 -1.26 -2.66 115.26 117.72 1ohj n ASN 185 Ca -0.13 -3.18 0.00 0.00 0.45 0.00 0.00 54.58 51.72 1ohj n ASN 185 Cb 0.59 1.27 0.00 0.00 1.23 0.00 0.00 39.78 42.88 1ohj n ASN 185 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31