#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfq n GLY 2 N 0.00 1.14 3.79 7.63 0.00 -1.18 -5.07 105.19 111.50 1hfq n GLY 2 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1hfq n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hfq s SER 3 N -0.14 7.27 -0.21 1.61 0.01 -1.26 -4.93 113.70 116.05 1hfq s SER 3 Ca 0.00 1.69 -0.03 0.00 1.31 0.00 0.00 55.95 58.92 1hfq s SER 3 Cb 0.00 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 1hfq s SER 3 CO 0.00 -0.01 -0.06 -0.22 0.41 0.00 0.00 173.24 173.36 1hfq s LEU 4 N -1.93 2.84 0.06 2.44 2.96 -1.26 -0.96 118.68 122.82 1hfq s LEU 4 Ca 0.46 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1hfq s LEU 4 Cb -0.19 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 1hfq s LEU 4 CO 0.23 0.00 -0.10 0.20 -1.32 0.00 0.00 176.35 175.36 1hfq s ASN 5 N 1.34 1.21 0.02 3.68 0.01 0.20 -2.64 114.94 118.77 1hfq s ASN 5 Ca 0.04 -0.61 0.06 0.00 -0.71 0.00 0.00 52.86 51.64 1hfq s ASN 5 Cb -0.14 0.00 -0.03 0.00 0.41 0.00 0.00 41.25 41.49 1hfq s ASN 5 CO -0.03 -0.17 -0.17 0.00 -1.51 0.00 0.00 177.10 175.22 1hfq s ILE 7 N -0.90 -0.04 -0.10 0.00 2.07 -0.90 -1.02 121.20 120.31 1hfq s ILE 7 Ca 0.14 0.22 -0.24 0.00 -1.41 0.00 0.00 60.65 59.36 1hfq s ILE 7 Cb -0.11 -0.11 0.06 0.00 0.13 0.00 0.00 42.46 42.43 1hfq s ILE 7 CO 0.05 0.10 0.57 0.54 -1.91 0.00 0.00 174.94 174.29 1hfq s VAL 8 N 1.14 0.01 -0.20 4.00 0.11 -0.99 -4.51 120.40 119.96 1hfq s VAL 8 Ca -0.08 -0.10 -0.06 0.00 -2.93 0.00 0.00 61.98 58.81 1hfq s VAL 8 Cb -0.13 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1hfq s VAL 8 CO -0.03 -0.06 0.02 0.00 -3.33 0.00 0.00 175.10 171.71 1hfq s ALA 9 N -0.70 3.13 -0.00 1.54 0.00 -1.26 -0.83 121.76 123.64 1hfq s ALA 9 Ca -0.08 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1hfq s ALA 9 Cb -0.03 -1.84 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 1hfq s ALA 9 CO 0.06 -0.11 -0.14 0.54 0.00 0.00 0.00 175.76 176.10 1hfq s VAL 10 N 0.93 1.13 0.85 0.00 0.11 -0.72 -4.68 120.40 118.02 1hfq s VAL 10 Ca 0.02 -0.67 -0.12 0.00 -2.93 0.00 0.00 61.98 58.28 1hfq s VAL 10 Cb -0.14 -0.95 0.13 0.00 -1.53 0.00 0.00 36.38 33.89 1hfq s VAL 10 CO 0.02 0.27 1.21 -0.94 -3.33 0.00 0.00 175.10 172.33 1hfq s SER 11 N -0.46 3.96 0.35 3.54 1.04 -0.67 -0.01 113.70 121.45 1hfq s SER 11 Ca 0.05 0.46 0.16 0.00 0.48 0.00 0.00 55.95 57.10 1hfq s SER 11 Cb -0.06 -0.78 0.60 0.00 0.10 0.00 0.00 66.02 65.89 1hfq s SER 11 CO -0.00 -2.21 1.71 -0.61 0.98 0.00 0.00 173.24 173.11 1hfq h GLN 12 N -1.21 0.00 -0.88 4.02 4.15 -0.86 -1.76 115.11 118.57 1hfq h GLN 12 Ca -0.45 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 58.80 1hfq h GLN 12 Cb 1.28 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.87 1hfq h GLN 12 CO 0.52 0.44 0.22 0.27 -1.93 0.00 0.00 178.83 178.35 1hfq n ASN 13 N -3.65 3.72 -2.78 -0.69 6.94 -1.26 -4.89 115.26 112.65 1hfq n ASN 13 Ca -0.01 -2.81 -0.22 0.00 -0.02 0.00 0.00 54.58 51.53 1hfq n ASN 13 Cb 0.53 -0.67 0.02 0.00 -2.36 0.00 0.00 39.78 37.30 1hfq n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1hfq n MET 14 N -0.09 -3.88 -3.26 -3.83 2.81 -0.66 -5.00 117.12 103.20 1hfq n MET 14 Ca 0.28 0.93 -0.39 0.00 -1.81 0.00 0.00 57.70 56.72 1hfq n MET 14 Cb 1.06 -5.71 -0.06 0.00 -0.71 0.00 0.00 33.22 27.80 1hfq n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1hfq s GLY 15 N -2.52 2.60 -0.00 3.03 0.00 -1.26 -1.27 107.32 107.91 1hfq s GLY 15 Ca 0.21 -0.00 0.01 0.00 0.00 0.00 0.00 44.72 44.93 1hfq s GLY 15 CO 0.26 0.61 0.01 0.29 0.00 0.00 0.00 173.10 174.28 1hfq n ILE 16 N 2.40 0.00 -3.50 0.90 -5.35 -0.34 -1.66 119.36 111.81 1hfq n ILE 16 Ca -0.09 -0.02 -0.14 0.00 -0.27 0.00 0.00 62.75 62.24 1hfq n ILE 16 Cb 0.51 0.49 -0.04 0.00 -1.74 0.00 0.00 39.64 38.86 1hfq n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1hfq s GLY 17 N -2.07 -0.54 -0.09 3.28 0.00 -1.19 -4.49 107.32 102.21 1hfq s GLY 17 Ca -0.00 0.74 -0.04 0.00 0.00 0.00 0.00 44.72 45.42 1hfq s GLY 17 CO 0.03 0.41 0.19 1.25 0.00 0.00 0.00 173.10 174.97 1hfq s LYS 18 N -2.67 0.09 -1.51 2.90 2.20 -0.13 -1.54 119.74 119.08 1hfq s LYS 18 Ca -0.04 0.55 -0.05 0.00 -0.36 0.00 0.00 55.97 56.07 1hfq s LYS 18 Cb -0.01 -0.18 0.04 0.00 -1.51 0.00 0.00 37.83 36.17 1hfq s LYS 18 CO -0.03 -0.25 0.43 0.09 -0.36 0.00 0.00 175.35 175.23 1hfq n ASN 19 N 4.92 -0.81 0.00 1.43 3.02 -1.26 -2.07 115.26 120.50 1hfq n ASN 19 Ca -0.13 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 1hfq n ASN 19 Cb 0.51 -2.71 0.00 0.00 -0.61 0.00 0.00 39.78 36.97 1hfq n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hfq n GLY 20 N -1.94 0.95 2.14 7.41 0.00 -1.26 -4.97 105.19 107.52 1hfq n GLY 20 Ca -0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 1hfq n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hfq n ASP 21 N 0.00 -0.48 -4.79 1.61 -0.08 -0.88 -4.56 116.55 107.38 1hfq n ASP 21 Ca 0.00 -2.46 -0.36 0.00 -1.51 0.00 0.00 54.79 50.46 1hfq n ASP 21 Cb 0.00 1.12 -0.04 0.00 2.34 0.00 0.00 41.12 44.54 1hfq n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1hfq s LEU 22 N 0.00 4.06 0.51 -2.67 2.01 -1.26 -0.95 118.68 120.38 1hfq s LEU 22 Ca 0.27 2.02 0.33 0.00 0.01 0.00 0.00 54.13 56.76 1hfq s LEU 22 Cb 0.01 -4.28 1.50 0.00 0.01 0.00 0.00 46.19 43.43 1hfq s LEU 22 CO 0.19 -0.57 2.00 -0.65 1.01 0.00 0.00 176.35 178.32 1hfq h PRO 23 N 2.26 0.00 -6.07 1.29 0.11 -1.84 -3.42 132.00 124.33 1hfq h PRO 23 Ca -0.49 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.04 1hfq h PRO 23 Cb 1.22 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 1hfq h PRO 23 CO 0.61 0.00 -0.64 1.67 -0.21 0.00 0.00 178.00 179.43 1hfq s TRP 24 N -3.69 2.53 0.68 0.65 -2.14 -1.26 -4.87 118.94 110.83 1hfq s TRP 24 Ca 0.00 -0.39 -0.16 0.00 2.66 0.00 0.00 56.10 58.21 1hfq s TRP 24 Cb 0.10 -1.38 0.01 0.00 -3.10 0.00 0.00 33.47 29.10 1hfq s TRP 24 CO 0.48 0.54 1.21 -1.25 -2.66 0.00 0.00 176.95 175.26 1hfq s PRO 25 N -3.68 2.47 0.26 3.25 0.04 -1.26 -4.89 135.00 131.19 1hfq s PRO 25 Ca 0.34 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 1hfq s PRO 25 Cb -0.02 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.54 1hfq s PRO 25 CO 0.19 -1.59 1.57 -2.14 0.04 0.00 0.00 177.00 175.07 1hfq s PRO 26 N -3.72 4.16 -0.49 0.56 0.02 -1.26 -4.98 135.00 129.29 1hfq s PRO 26 Ca 0.75 2.51 -0.04 0.00 0.02 0.00 0.00 61.00 64.24 1hfq s PRO 26 Cb -0.30 -3.06 0.13 0.00 0.02 0.00 0.00 34.50 31.30 1hfq s PRO 26 CO 0.41 -0.60 0.31 -0.51 -0.33 0.00 0.00 177.00 176.28 1hfq s LEU 27 N -0.17 5.35 0.42 -5.54 1.43 -1.26 -4.96 118.68 113.95 1hfq s LEU 27 Ca 0.64 -2.29 0.10 0.00 -1.03 0.00 0.00 54.13 51.56 1hfq s LEU 27 Cb -0.46 -1.87 0.94 0.00 0.03 0.00 0.00 46.19 44.82 1hfq s LEU 27 CO 0.44 -0.51 2.02 -0.09 0.23 0.00 0.00 176.35 178.43 1hfq h ARG 28 N 7.79 0.48 0.12 1.70 2.43 -2.00 -2.17 114.38 122.74 1hfq h ARG 28 Ca -0.10 -0.03 -0.28 0.00 -0.81 0.00 0.00 59.98 58.76 1hfq h ARG 28 Cb 1.02 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1hfq h ARG 28 CO 0.73 0.32 -1.26 -0.91 -1.51 0.00 0.00 179.97 177.33 1hfq h ASN 29 N 0.49 0.41 0.05 -3.80 2.35 -1.99 -0.39 115.58 112.70 1hfq h ASN 29 Ca 0.22 -0.45 -0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1hfq h ASN 29 Cb 0.24 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1hfq h ASN 29 CO -0.06 1.35 -0.02 -0.08 -1.65 0.00 0.00 177.43 176.97 1hfq h GLU 30 N 0.07 -0.06 -0.72 0.81 4.22 -1.95 -2.65 114.58 114.30 1hfq h GLU 30 Ca -0.14 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.33 1hfq h GLU 30 Cb 1.97 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 31.19 1hfq h GLU 30 CO 0.20 0.03 0.45 0.77 -2.18 0.00 0.00 179.01 178.28 1hfq h SER 31 N -0.14 0.75 -0.44 1.04 0.02 -1.30 -1.79 113.55 111.69 1hfq h SER 31 Ca -0.01 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1hfq h SER 31 Cb 0.12 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1hfq h SER 31 CO 0.01 0.52 0.18 0.03 -1.14 0.00 0.00 176.83 176.43 1hfq h ARG 32 N 0.89 0.36 -0.61 3.45 3.08 -1.01 -1.78 114.38 118.76 1hfq h ARG 32 Ca 0.28 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 1hfq h ARG 32 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1hfq h ARG 32 CO -0.10 0.24 0.35 -0.92 -1.07 0.00 0.00 179.97 178.47 1hfq h TYR 33 N 0.37 0.82 -0.92 3.04 3.20 -1.35 -0.86 116.97 121.28 1hfq h TYR 33 Ca 0.20 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1hfq h TYR 33 Cb 0.16 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 1hfq h TYR 33 CO -0.13 0.57 0.58 0.35 -1.64 0.00 0.00 178.16 177.89 1hfq h PHE 34 N 0.82 1.18 -0.27 -3.82 3.04 -0.97 -1.28 116.94 115.64 1hfq h PHE 34 Ca 0.22 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 1hfq h PHE 34 Cb 0.01 -0.39 -0.01 0.00 2.56 0.00 0.00 35.95 38.11 1hfq h PHE 34 CO -0.02 0.77 0.08 0.37 -2.02 0.00 0.00 178.31 177.49 1hfq h GLN 35 N 1.25 0.43 -0.38 1.11 4.15 -1.13 -2.15 115.11 118.40 1hfq h GLN 35 Ca 0.33 -0.10 -0.07 0.00 0.77 0.00 0.00 58.65 59.59 1hfq h GLN 35 Cb -0.10 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1hfq h GLN 35 CO -0.07 0.50 -0.02 -0.09 -1.93 0.00 0.00 178.83 177.22 1hfq h ARG 36 N 0.28 0.68 0.09 1.69 2.43 -0.80 -1.10 114.38 117.65 1hfq h ARG 36 Ca 0.09 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1hfq h ARG 36 Cb 0.25 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1hfq h ARG 36 CO -0.00 0.79 -0.05 0.52 -1.51 0.00 0.00 179.97 179.72 1hfq h MET 37 N 0.49 -0.12 -0.08 0.20 2.86 -1.16 -2.08 114.93 115.05 1hfq h MET 37 Ca 0.10 0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 1hfq h MET 37 Cb 0.50 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1hfq h MET 37 CO 0.02 0.11 -0.54 1.79 1.06 0.00 0.00 176.91 179.35 1hfq h THR 38 N -0.35 1.36 0.16 2.22 1.35 -1.44 -3.30 112.91 112.92 1hfq h THR 38 Ca -0.01 -1.84 -0.29 0.00 -0.55 0.00 0.00 66.41 63.71 1hfq h THR 38 Cb 0.29 1.91 0.02 0.00 -1.73 0.00 0.00 68.15 68.63 1hfq h THR 38 CO 0.02 0.55 -1.29 0.74 -0.25 0.00 0.00 175.52 175.28 1hfq h THR 39 N 0.18 1.41 -2.70 6.82 2.02 -1.20 -3.43 112.91 116.01 1hfq h THR 39 Ca 0.00 -2.87 -0.54 0.00 0.77 0.00 0.00 66.41 63.77 1hfq h THR 39 Cb 1.02 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 70.35 1hfq h THR 39 CO 0.08 0.85 1.00 -0.89 0.37 0.00 0.00 175.52 176.94 1hfq s THR 40 N -2.71 3.40 -0.16 3.16 2.01 -0.78 -4.65 115.64 115.90 1hfq s THR 40 Ca -0.06 0.69 -0.05 0.00 0.31 0.00 0.00 61.69 62.58 1hfq s THR 40 Cb 0.06 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1hfq s THR 40 CO 0.91 -0.03 0.01 -0.55 -0.69 0.00 0.00 174.62 174.27 1hfq s SER 41 N 2.70 5.21 0.55 3.53 0.15 -1.26 -4.95 113.70 119.64 1hfq s SER 41 Ca 0.72 -0.01 0.34 0.00 0.70 0.00 0.00 55.95 57.69 1hfq s SER 41 Cb -0.35 -1.85 1.41 0.00 -1.71 0.00 0.00 66.02 63.51 1hfq s SER 41 CO 0.30 0.18 2.00 0.77 1.20 0.00 0.00 173.24 177.70 1hfq h SER 42 N 6.61 0.00 -2.23 5.45 4.64 -1.93 -3.46 113.55 122.63 1hfq h SER 42 Ca -0.35 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.40 1hfq h SER 42 Cb 1.18 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.16 1hfq h SER 42 CO 0.66 0.01 -0.68 -0.69 -0.87 0.00 0.00 176.83 175.26 1hfq s VAL 43 N -3.70 3.19 -0.01 0.95 1.01 -1.26 -5.14 120.40 115.43 1hfq s VAL 43 Ca 0.01 -2.03 -0.26 0.00 0.00 0.00 0.00 61.98 59.70 1hfq s VAL 43 Cb 0.09 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1hfq s VAL 43 CO 0.54 -0.37 0.79 -1.61 0.00 0.00 0.00 175.10 174.45 1hfq s GLU 44 N -3.60 4.49 0.00 2.72 0.41 -1.26 -3.32 118.70 118.14 1hfq s GLU 44 Ca 0.31 1.08 0.00 0.00 -0.41 0.00 0.00 54.97 55.95 1hfq s GLU 44 Cb -0.06 -3.42 0.00 0.00 -1.78 0.00 0.00 34.13 28.87 1hfq s GLU 44 CO 0.18 0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.47 1hfq n GLY 45 N 2.81 0.50 3.35 -1.39 0.00 -1.26 -5.03 105.19 104.17 1hfq n GLY 45 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1hfq n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hfq s LYS 46 N -0.01 1.29 0.18 1.61 1.02 -1.21 -4.87 119.74 117.75 1hfq s LYS 46 Ca 0.00 -1.28 0.11 0.00 0.02 0.00 0.00 55.97 54.83 1hfq s LYS 46 Cb 0.00 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.59 1hfq s LYS 46 CO 0.00 0.39 -0.23 -0.65 -0.92 0.00 0.00 175.35 173.94 1hfq s GLN 47 N -2.01 1.55 0.25 1.68 -0.21 -0.91 -4.78 119.66 115.23 1hfq s GLN 47 Ca 0.11 -1.48 -0.17 0.00 0.02 0.00 0.00 55.36 53.84 1hfq s GLN 47 Cb -0.10 -1.88 -0.08 0.00 1.00 0.00 0.00 33.01 31.95 1hfq s GLN 47 CO 0.05 0.41 0.70 -0.80 -2.12 0.00 0.00 175.29 173.53 1hfq s ASN 48 N -2.61 6.91 -0.10 5.90 0.01 -1.26 -1.40 114.94 122.39 1hfq s ASN 48 Ca 0.20 1.30 -0.15 0.00 -0.71 0.00 0.00 52.86 53.51 1hfq s ASN 48 Cb -0.08 -2.38 -0.05 0.00 0.41 0.00 0.00 41.25 39.15 1hfq s ASN 48 CO 0.10 -0.04 0.37 -0.22 -1.51 0.00 0.00 177.10 175.79 1hfq s LEU 49 N -2.35 4.32 -0.19 0.60 2.96 0.26 -1.65 118.68 122.63 1hfq s LEU 49 Ca 0.46 0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 55.07 1hfq s LEU 49 Cb -0.14 -2.51 -0.00 0.00 0.50 0.00 0.00 46.19 44.04 1hfq s LEU 49 CO 0.20 0.14 -0.10 0.68 -1.32 0.00 0.00 176.35 175.95 1hfq s VAL 50 N 0.04 2.97 -0.19 1.68 -7.23 0.22 -1.06 120.40 116.83 1hfq s VAL 50 Ca 0.21 -0.65 -0.03 0.00 -1.81 0.00 0.00 61.98 59.71 1hfq s VAL 50 Cb -0.14 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 1hfq s VAL 50 CO 0.08 0.48 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.64 1hfq s ILE 51 N 1.13 3.26 0.03 -0.62 1.01 -0.63 -1.05 121.20 124.33 1hfq s ILE 51 Ca 0.01 -0.55 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 1hfq s ILE 51 Cb -0.14 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 1hfq s ILE 51 CO -0.03 0.46 0.02 0.00 0.00 0.00 0.00 174.94 175.40 1hfq s MET 52 N 1.05 0.45 0.78 2.79 0.23 -0.84 -1.16 119.30 122.60 1hfq s MET 52 Ca 0.00 -0.71 -0.11 0.00 -1.03 0.00 0.00 55.69 53.84 1hfq s MET 52 Cb -0.15 0.17 0.06 0.00 -1.53 0.00 0.00 34.83 33.38 1hfq s MET 52 CO -0.01 -0.09 1.09 0.20 -2.03 0.00 0.00 175.02 174.18 1hfq s GLY 53 N -1.84 1.64 0.30 3.16 0.00 -0.41 -1.20 107.32 108.97 1hfq s GLY 53 Ca -0.10 -0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.56 1hfq s GLY 53 CO -0.03 0.32 1.82 1.70 0.00 0.00 0.00 173.10 176.91 1hfq h LYS 54 N -1.05 0.64 0.00 2.90 3.64 -1.89 -2.09 116.57 118.72 1hfq h LYS 54 Ca -0.46 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 58.65 1hfq h LYS 54 Cb 1.25 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1hfq h LYS 54 CO 0.57 0.67 -0.52 -0.22 -2.27 0.00 0.00 179.45 177.68 1hfq h LYS 55 N 0.60 0.00 -0.47 1.90 3.64 -1.94 -2.53 116.57 117.77 1hfq h LYS 55 Ca 0.12 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1hfq h LYS 55 Cb 0.40 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1hfq h LYS 55 CO 0.02 0.52 0.13 1.15 -2.27 0.00 0.00 179.45 178.99 1hfq h THR 56 N 0.00 1.23 -0.14 1.00 2.02 -1.84 -2.15 112.91 113.04 1hfq h THR 56 Ca -0.01 -0.80 0.05 0.00 0.77 0.00 0.00 66.41 66.43 1hfq h THR 56 Cb 0.96 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1hfq h THR 56 CO 0.07 0.29 -0.29 -0.25 0.37 0.00 0.00 175.52 175.70 1hfq h TRP 57 N 0.63 -0.80 0.00 3.16 2.91 -1.16 -1.00 115.95 119.69 1hfq h TRP 57 Ca 0.15 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.21 1hfq h TRP 57 Cb 0.30 0.38 0.00 0.00 -0.51 0.00 0.00 29.16 29.33 1hfq h TRP 57 CO 0.02 -0.37 0.00 0.74 -1.03 0.00 0.00 178.44 177.79 1hfq h PHE 58 N -0.36 0.00 -0.01 2.65 0.04 -1.39 -2.67 116.94 115.21 1hfq h PHE 58 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1hfq h PHE 58 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1hfq h PHE 58 CO -0.39 0.00 -0.08 -1.13 -0.60 0.00 0.00 178.31 176.11 1hfq n SER 59 N -2.74 0.85 -4.72 2.17 3.41 -0.38 -4.80 113.62 107.40 1hfq n SER 59 Ca -0.00 -1.01 -0.40 0.00 -0.26 0.00 0.00 58.87 57.19 1hfq n SER 59 Cb 0.18 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 1hfq n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1hfq s ILE 60 N -2.24 4.98 0.33 -1.33 1.01 -1.01 -4.98 121.20 117.95 1hfq s ILE 60 Ca 0.34 1.56 -0.28 0.00 0.00 0.00 0.00 60.65 62.27 1hfq s ILE 60 Cb 0.21 -4.09 -0.13 0.00 0.01 0.00 0.00 42.46 38.46 1hfq s ILE 60 CO 0.42 0.25 1.28 -2.65 0.00 0.00 0.00 174.94 174.25 1hfq n PRO 61 N 3.65 2.07 -0.27 2.79 -0.02 -1.26 -4.83 135.00 137.13 1hfq n PRO 61 Ca -0.00 0.73 0.19 0.00 -2.02 0.00 0.00 63.50 62.40 1hfq n PRO 61 Cb 0.51 -2.30 0.50 0.00 -0.02 0.00 0.00 33.50 32.19 1hfq n PRO 61 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1hfq h GLU 62 N 2.67 0.42 0.00 -0.52 5.08 -1.93 0.16 114.58 120.46 1hfq h GLU 62 Ca -0.45 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 1hfq h GLU 62 Cb 1.29 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1hfq h GLU 62 CO 0.64 0.28 -0.12 1.57 -1.00 0.00 0.00 179.01 180.37 1hfq h LYS 63 N 0.43 0.00 -0.63 2.33 2.10 -2.01 -2.72 116.57 116.07 1hfq h LYS 63 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 1hfq h LYS 63 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1hfq h LYS 63 CO -0.21 0.12 0.00 0.09 -2.00 0.00 0.00 179.45 177.45 1hfq n ASN 64 N -3.31 3.57 -4.58 7.07 3.02 0.57 -4.94 115.26 116.65 1hfq n ASN 64 Ca -0.00 -2.09 -0.35 0.00 -0.03 0.00 0.00 54.58 52.10 1hfq n ASN 64 Cb 0.34 -0.45 -0.11 0.00 -0.61 0.00 0.00 39.78 38.96 1hfq n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1hfq s ARG 65 N -1.31 3.88 0.62 3.52 0.52 -1.03 -3.30 118.95 121.85 1hfq s ARG 65 Ca 0.43 -0.38 -0.14 0.00 -0.52 0.00 0.00 55.73 55.12 1hfq s ARG 65 Cb 0.24 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 1hfq s ARG 65 CO 0.27 0.11 1.04 -1.25 0.02 0.00 0.00 175.30 175.49 1hfq s PRO 66 N 0.83 3.33 0.02 3.54 0.04 -1.26 -4.94 135.00 136.55 1hfq s PRO 66 Ca 0.04 1.03 -0.31 0.00 0.04 0.00 0.00 61.00 61.80 1hfq s PRO 66 Cb -0.13 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 1hfq s PRO 66 CO 0.02 -0.79 1.94 1.28 0.04 0.00 0.00 177.00 179.49 1hfq n LEU 67 N -2.41 3.97 -4.77 -3.56 4.77 -1.21 -4.91 117.00 108.89 1hfq n LEU 67 Ca 0.08 0.93 -0.41 0.00 -0.03 0.00 0.00 56.01 56.58 1hfq n LEU 67 Cb 0.53 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.11 1hfq n LEU 67 CO 0.51 0.13 0.99 -1.59 -1.33 0.00 0.00 177.39 176.10 1hfq s LYS 68 N 4.16 4.35 0.00 3.23 -2.85 -1.26 -3.38 119.74 123.99 1hfq s LYS 68 Ca 0.89 2.22 0.00 0.00 -1.00 0.00 0.00 55.97 58.08 1hfq s LYS 68 Cb -0.51 -3.08 0.00 0.00 -2.06 0.00 0.00 37.83 32.19 1hfq s LYS 68 CO 0.44 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 176.09 1hfq n GLY 69 N 0.92 0.48 3.37 0.59 0.00 -1.26 -4.96 105.19 104.32 1hfq n GLY 69 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1hfq n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hfq s ARG 70 N -0.20 1.75 -0.22 1.61 0.52 -1.22 -4.57 118.95 116.62 1hfq s ARG 70 Ca 0.00 -1.14 -0.26 0.00 -0.52 0.00 0.00 55.73 53.81 1hfq s ARG 70 Cb 0.00 -1.99 -0.00 0.00 0.52 0.00 0.00 34.95 33.48 1hfq s ARG 70 CO 0.00 0.50 0.87 0.42 0.02 0.00 0.00 175.30 177.11 1hfq s ILE 71 N -0.87 4.82 -0.33 1.52 1.01 -0.66 -4.85 121.20 121.84 1hfq s ILE 71 Ca 0.13 1.67 -0.12 0.00 0.00 0.00 0.00 60.65 62.33 1hfq s ILE 71 Cb -0.10 -4.16 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 1hfq s ILE 71 CO 0.03 -0.07 0.22 0.20 0.00 0.00 0.00 174.94 175.32 1hfq s ASN 72 N 1.28 5.93 -0.07 3.58 0.02 -1.26 0.69 114.94 125.11 1hfq s ASN 72 Ca 0.37 -0.43 0.05 0.00 -1.02 0.00 0.00 52.86 51.83 1hfq s ASN 72 Cb -0.15 -2.10 -0.01 0.00 0.02 0.00 0.00 41.25 39.00 1hfq s ASN 72 CO 0.08 -0.22 -0.22 -0.22 0.02 0.00 0.00 177.10 176.54 1hfq s LEU 73 N 1.70 2.23 -0.10 0.60 0.20 -0.22 -1.57 118.68 121.52 1hfq s LEU 73 Ca 0.06 -0.45 -0.01 0.00 0.69 0.00 0.00 54.13 54.41 1hfq s LEU 73 Cb -0.17 -1.43 -0.03 0.00 -0.43 0.00 0.00 46.19 44.13 1hfq s LEU 73 CO 0.09 0.24 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.66 1hfq s VAL 74 N -0.14 3.82 -0.18 1.68 1.01 -0.66 -1.98 120.40 123.95 1hfq s VAL 74 Ca -0.03 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1hfq s VAL 74 Cb -0.14 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1hfq s VAL 74 CO 0.04 0.56 0.09 -0.76 0.00 0.00 0.00 175.10 175.02 1hfq s LEU 75 N -0.35 3.97 -0.26 3.92 1.43 -0.34 -0.82 118.68 126.22 1hfq s LEU 75 Ca 0.06 0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 53.03 1hfq s LEU 75 Cb -0.12 -2.01 0.16 0.00 0.03 0.00 0.00 46.19 44.25 1hfq s LEU 75 CO 0.02 0.19 1.23 -0.55 0.23 0.00 0.00 176.35 177.47 1hfq s SER 76 N 0.29 -0.22 0.00 2.29 0.15 -0.15 -2.97 113.70 113.09 1hfq s SER 76 Ca 0.05 0.36 0.22 0.00 0.70 0.00 0.00 55.95 57.28 1hfq s SER 76 Cb -0.12 0.34 -0.10 0.00 -1.71 0.00 0.00 66.02 64.43 1hfq s SER 76 CO -0.00 -0.12 0.97 0.54 1.20 0.00 0.00 173.24 175.83 1hfq n ARG 77 N 1.37 0.03 -0.05 5.44 1.74 -1.26 -4.21 116.66 119.72 1hfq n ARG 77 Ca -0.09 -0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 56.84 1hfq n ARG 77 Cb 0.57 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.37 1hfq n ARG 77 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1hfq n GLU 78 N -1.54 0.69 -2.28 5.56 2.13 -1.26 -4.98 120.64 118.95 1hfq n GLU 78 Ca 0.04 0.19 -0.40 0.00 0.66 0.00 0.00 57.16 57.64 1hfq n GLU 78 Cb 0.34 -1.65 -0.03 0.00 0.27 0.00 0.00 31.44 30.37 1hfq n GLU 78 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1hfq s LEU 79 N -6.35 4.49 0.04 4.31 1.43 -1.26 -4.95 118.68 116.39 1hfq s LEU 79 Ca -0.18 2.49 0.10 0.00 -1.03 0.00 0.00 54.13 55.51 1hfq s LEU 79 Cb 0.07 -3.64 -0.22 0.00 0.03 0.00 0.00 46.19 42.44 1hfq s LEU 79 CO 0.76 -0.35 0.98 0.11 0.23 0.00 0.00 176.35 178.08 1hfq h LYS 80 N 3.61 0.00 -3.87 1.70 1.79 -1.96 -3.48 116.57 114.36 1hfq h LYS 80 Ca -0.48 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.90 1hfq h LYS 80 Cb 1.22 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.73 1hfq h LYS 80 CO 0.66 0.75 -0.42 -1.83 -1.08 0.00 0.00 179.45 177.53 1hfq s GLU 81 N -2.66 0.79 0.45 3.15 -1.05 -1.26 -5.12 118.70 113.00 1hfq s GLU 81 Ca -0.02 -0.98 -0.25 0.00 -0.15 0.00 0.00 54.97 53.57 1hfq s GLU 81 Cb 0.09 0.32 -0.09 0.00 -0.44 0.00 0.00 34.13 34.01 1hfq s GLU 81 CO 0.82 -0.24 1.36 -2.30 0.95 0.00 0.00 175.26 175.85 1hfq n PRO 82 N 0.02 2.06 -0.50 -4.83 -0.02 -1.26 -4.96 135.00 125.52 1hfq n PRO 82 Ca -0.15 0.74 -0.29 0.00 -2.02 0.00 0.00 63.50 61.78 1hfq n PRO 82 Cb 0.62 -2.52 0.25 0.00 -0.02 0.00 0.00 33.50 31.82 1hfq n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1hfq n PRO 83 N -0.18 -2.42 -1.91 0.52 -0.02 -1.26 -4.82 135.00 124.91 1hfq n PRO 83 Ca 0.06 -0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 60.44 1hfq n PRO 83 Cb 0.41 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1hfq n PRO 83 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1hfq s GLN 84 N -4.21 4.20 0.00 -0.52 0.74 -1.26 -1.93 119.66 116.68 1hfq s GLN 84 Ca 0.66 2.39 0.00 0.00 0.05 0.00 0.00 55.36 58.47 1hfq s GLN 84 Cb -0.23 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.74 1hfq s GLN 84 CO 0.66 -0.61 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 1hfq n GLY 85 N 3.59 3.12 3.77 2.59 0.00 -1.26 -4.90 105.19 112.10 1hfq n GLY 85 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1hfq n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfq s ALA 86 N -2.02 3.26 -0.06 4.61 0.00 -0.81 -4.03 121.76 122.71 1hfq s ALA 86 Ca 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.74 1hfq s ALA 86 Cb 0.00 -3.31 -0.27 0.00 0.00 0.00 0.00 23.12 19.54 1hfq s ALA 86 CO 0.00 -0.20 0.63 0.45 0.00 0.00 0.00 175.76 176.63 1hfq h HIS 87 N 3.22 0.47 -3.90 0.00 -0.00 -1.60 -3.45 115.15 109.89 1hfq h HIS 87 Ca -0.47 -0.34 -0.11 0.00 -0.00 0.00 0.00 60.37 59.45 1hfq h HIS 87 Cb 1.21 -0.02 -0.15 0.00 -0.00 0.00 0.00 27.41 28.45 1hfq h HIS 87 CO 0.58 1.53 -0.49 -0.06 -0.00 0.00 0.00 177.93 179.50 1hfq s PHE 88 N -2.59 0.25 -0.07 2.45 0.08 -1.06 -4.99 117.98 112.05 1hfq s PHE 88 Ca -0.14 -0.67 0.03 0.00 0.12 0.00 0.00 56.93 56.27 1hfq s PHE 88 Cb 0.07 -0.16 0.00 0.00 -0.57 0.00 0.00 43.02 42.36 1hfq s PHE 88 CO 0.82 -0.45 -0.17 -1.17 -0.10 0.00 0.00 175.22 174.15 1hfq s LEU 89 N -2.63 1.85 0.07 -0.37 2.96 -1.26 -1.65 118.68 117.65 1hfq s LEU 89 Ca 0.02 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.59 1hfq s LEU 89 Cb 0.04 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 1hfq s LEU 89 CO -0.09 0.11 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.48 1hfq s SER 90 N 0.37 1.55 0.05 3.68 0.01 0.00 -4.94 113.70 114.42 1hfq s SER 90 Ca -0.12 -0.60 0.25 0.00 1.31 0.00 0.00 55.95 56.79 1hfq s SER 90 Cb -0.15 -0.04 0.56 0.00 0.21 0.00 0.00 66.02 66.60 1hfq s SER 90 CO 0.05 -0.09 1.46 0.54 0.41 0.00 0.00 173.24 175.61 1hfq n ARG 91 N 1.33 0.12 -3.74 12.44 1.74 -1.26 -0.97 116.66 126.32 1hfq n ARG 91 Ca -0.21 0.04 -0.07 0.00 -0.77 0.00 0.00 57.85 56.84 1hfq n ARG 91 Cb 0.54 -1.58 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 1hfq n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1hfq s SER 92 N -3.51 -0.29 0.25 0.55 1.04 -1.26 -4.66 113.70 105.80 1hfq s SER 92 Ca 0.10 -0.41 0.09 0.00 0.48 0.00 0.00 55.95 56.20 1hfq s SER 92 Cb 0.16 0.62 0.26 0.00 0.10 0.00 0.00 66.02 67.16 1hfq s SER 92 CO 0.68 -1.11 1.56 0.25 0.98 0.00 0.00 173.24 175.60 1hfq h LEU 93 N 2.00 0.06 -1.43 2.42 5.85 -1.99 -1.81 115.31 120.40 1hfq h LEU 93 Ca -0.23 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 1hfq h LEU 93 Cb 1.25 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1hfq h LEU 93 CO 0.27 0.71 -0.07 0.44 -0.34 0.00 0.00 178.44 179.45 1hfq h ASP 94 N 0.04 0.27 -0.01 1.25 3.32 -1.99 -1.30 116.42 117.99 1hfq h ASP 94 Ca -0.01 -0.05 -0.20 0.00 0.02 0.00 0.00 57.03 56.80 1hfq h ASP 94 Cb 1.18 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1hfq h ASP 94 CO 0.09 0.38 -0.70 0.44 -1.72 0.00 0.00 179.24 177.73 1hfq h ASP 95 N 0.28 0.76 -0.16 6.45 3.32 -1.93 0.49 116.42 125.62 1hfq h ASP 95 Ca 0.06 -0.47 -0.08 0.00 0.02 0.00 0.00 57.03 56.56 1hfq h ASP 95 Cb 0.30 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1hfq h ASP 95 CO 0.01 1.24 -0.16 0.00 -1.72 0.00 0.00 179.24 178.61 1hfq h ALA 96 N 0.76 1.14 0.05 3.45 0.00 -0.61 -2.18 119.26 121.87 1hfq h ALA 96 Ca -0.03 -0.31 -0.23 0.00 0.00 0.00 0.00 54.91 54.34 1hfq h ALA 96 Cb 1.30 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1hfq h ALA 96 CO 0.14 0.54 -1.04 -0.07 0.00 0.00 0.00 179.25 178.82 1hfq h LEU 97 N 0.51 0.35 -2.36 0.00 3.38 -1.12 -2.90 115.31 113.17 1hfq h LEU 97 Ca 0.09 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1hfq h LEU 97 Cb 0.57 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1hfq h LEU 97 CO 0.04 1.18 -0.01 0.50 0.09 0.00 0.00 178.44 180.24 1hfq h LYS 98 N 0.11 0.00 0.00 1.13 3.64 0.18 -3.00 116.57 118.62 1hfq h LYS 98 Ca -0.08 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 1hfq h LYS 98 Cb 1.72 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.52 1hfq h LYS 98 CO 0.17 0.01 -0.64 1.25 -2.27 0.00 0.00 179.45 177.97 1hfq h LEU 99 N 0.00 0.00 -0.62 5.20 6.46 -1.18 -3.15 115.31 122.03 1hfq h LEU 99 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1hfq h LEU 99 Cb 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1hfq h LEU 99 CO 0.00 0.64 0.00 0.71 -0.62 0.00 0.00 178.44 179.17 1hfq h THR 100 N 0.00 0.00 -0.47 1.05 1.35 -1.58 -2.98 112.91 110.28 1hfq h THR 100 Ca -0.01 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1hfq h THR 100 Cb 1.14 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1hfq h THR 100 CO 0.08 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.73 1hfq n GLU 101 N -2.36 2.17 -3.40 4.72 -0.58 -1.19 -2.24 120.64 117.76 1hfq n GLU 101 Ca 0.03 -1.73 -0.38 0.00 -0.42 0.00 0.00 57.16 54.66 1hfq n GLU 101 Cb 0.29 -1.40 -0.06 0.00 -0.57 0.00 0.00 31.44 29.70 1hfq n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1hfq s GLN 102 N -1.39 4.22 0.64 3.49 -1.52 -1.13 -4.88 119.66 119.09 1hfq s GLN 102 Ca 0.32 0.38 0.25 0.00 -1.95 0.00 0.00 55.36 54.36 1hfq s GLN 102 Cb 0.17 -3.38 1.28 0.00 -0.22 0.00 0.00 33.01 30.86 1hfq s GLN 102 CO 0.21 0.31 1.72 -1.00 -0.25 0.00 0.00 175.29 176.28 1hfq h PRO 103 N 6.19 0.00 0.00 2.91 0.13 -1.89 0.31 132.00 139.64 1hfq h PRO 103 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1hfq h PRO 103 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1hfq h PRO 103 CO 0.72 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.88 1hfq n GLU 104 N -3.08 0.00 0.13 0.86 1.02 -1.26 -3.84 120.64 114.47 1hfq n GLU 104 Ca 0.03 0.63 0.09 0.00 -0.02 0.00 0.00 57.16 57.89 1hfq n GLU 104 Cb 0.64 -1.46 0.04 0.00 -0.02 0.00 0.00 31.44 30.64 1hfq n GLU 104 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1hfq h LEU 105 N 0.00 0.00 -0.71 -4.62 3.38 -1.58 -3.41 115.31 108.36 1hfq h LEU 105 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1hfq h LEU 105 Cb 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 1hfq h LEU 105 CO 0.00 0.15 0.09 0.00 0.09 0.00 0.00 178.44 178.77 1hfq h ALA 106 N 1.85 0.83 0.00 1.53 0.00 0.04 -0.32 119.26 123.18 1hfq h ALA 106 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1hfq h ALA 106 Cb 1.14 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1hfq h ALA 106 CO 0.02 -0.38 -0.12 0.27 0.00 0.00 0.00 179.25 179.04 1hfq n ASN 107 N -5.24 0.38 0.02 0.00 6.94 -1.26 -4.27 115.26 111.82 1hfq n ASN 107 Ca 0.13 0.40 -0.11 0.00 -0.02 0.00 0.00 54.58 54.98 1hfq n ASN 107 Cb 0.44 -0.45 -0.14 0.00 -2.36 0.00 0.00 39.78 37.28 1hfq n ASN 107 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1hfq h LYS 108 N 0.00 0.07 -5.20 -3.83 1.57 -1.34 -3.47 116.57 104.37 1hfq h LYS 108 Ca 0.00 -0.12 -0.61 0.00 -1.87 0.00 0.00 60.65 58.05 1hfq h LYS 108 Cb 0.60 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 32.81 1hfq h LYS 108 CO 0.00 0.78 -0.51 0.08 -0.57 0.00 0.00 179.45 179.23 1hfq s VAL 109 N -2.62 5.23 0.00 0.50 1.01 -0.85 -2.13 120.40 121.54 1hfq s VAL 109 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1hfq s VAL 109 Cb 0.08 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1hfq s VAL 109 CO 0.82 0.41 0.00 -0.67 0.00 0.00 0.00 175.10 175.66 1hfq n ASP 110 N 3.83 0.00 -4.89 3.32 2.03 -0.49 -4.68 116.55 115.67 1hfq n ASP 110 Ca -0.16 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.86 1hfq n ASP 110 Cb 0.52 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.90 1hfq n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1hfq s MET 111 N 0.31 3.69 -0.24 -0.67 -1.94 -1.26 -3.09 119.30 116.08 1hfq s MET 111 Ca 0.00 0.28 -0.03 0.00 -1.71 0.00 0.00 55.69 54.23 1hfq s MET 111 Cb 0.00 -2.46 0.01 0.00 2.01 0.00 0.00 34.83 34.40 1hfq s MET 111 CO 0.00 -0.01 -0.04 0.08 -0.01 0.00 0.00 175.02 175.04 1hfq s VAL 112 N -2.38 3.11 -0.33 -6.03 1.01 -0.14 -0.58 120.40 115.07 1hfq s VAL 112 Ca 0.48 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1hfq s VAL 112 Cb -0.10 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1hfq s VAL 112 CO 0.34 0.26 0.12 0.26 0.00 0.00 0.00 175.10 176.08 1hfq s TRP 113 N 1.39 3.21 -0.29 5.22 0.52 -0.23 -0.63 118.94 128.13 1hfq s TRP 113 Ca 0.02 -1.10 -0.29 0.00 0.02 0.00 0.00 56.10 54.75 1hfq s TRP 113 Cb -0.16 -2.31 0.01 0.00 -1.15 0.00 0.00 33.47 29.87 1hfq s TRP 113 CO -0.04 -0.64 1.11 0.42 0.02 0.00 0.00 176.95 177.82 1hfq s ILE 114 N 1.49 4.48 -0.90 2.03 1.01 0.20 -1.60 121.20 127.90 1hfq s ILE 114 Ca 0.01 1.72 0.13 0.00 0.00 0.00 0.00 60.65 62.51 1hfq s ILE 114 Cb -0.18 -4.35 0.38 0.00 0.01 0.00 0.00 42.46 38.32 1hfq s ILE 114 CO 0.04 -0.41 1.31 1.33 0.00 0.00 0.00 174.94 177.21 1hfq n VAL 115 N 5.79 1.21 0.00 2.92 0.24 -0.31 -2.12 118.33 126.07 1hfq n VAL 115 Ca 0.12 -1.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 1hfq n VAL 115 Cb 0.47 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 1hfq n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hfq n GLY 116 N 0.47 -1.30 0.00 7.63 0.00 -1.26 -4.94 105.19 105.80 1hfq n GLY 116 Ca 0.14 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1hfq n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfq n GLY 117 N -0.30 0.99 0.33 -0.02 0.00 -1.26 -1.28 105.19 103.64 1hfq n GLY 117 Ca 0.00 -1.76 0.02 0.00 0.00 0.00 0.00 46.02 44.28 1hfq n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1hfq h SER 118 N 0.00 -0.93 -0.97 1.61 0.02 -1.98 -1.88 113.55 109.42 1hfq h SER 118 Ca 0.00 0.27 0.10 0.00 -0.84 0.00 0.00 61.79 61.32 1hfq h SER 118 Cb 0.00 0.57 -0.07 0.00 0.14 0.00 0.00 62.40 63.04 1hfq h SER 118 CO 0.00 -0.29 0.62 0.77 -1.14 0.00 0.00 176.83 176.79 1hfq h SER 119 N -0.02 0.90 0.02 3.07 4.64 -1.97 0.54 113.55 120.74 1hfq h SER 119 Ca 0.39 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1hfq h SER 119 Cb 0.63 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1hfq h SER 119 CO -0.89 0.51 -0.01 0.58 -0.87 0.00 0.00 176.83 176.15 1hfq h VAL 120 N 0.99 1.45 0.08 0.95 2.07 -1.71 -3.10 116.25 116.98 1hfq h VAL 120 Ca 0.46 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1hfq h VAL 120 Cb 0.41 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1hfq h VAL 120 CO -0.22 0.38 -0.16 1.88 0.02 0.00 0.00 177.57 179.47 1hfq h TYR 121 N -0.67 -0.41 -0.62 1.57 0.05 -0.90 -1.19 116.97 114.80 1hfq h TYR 121 Ca -0.00 0.01 0.12 0.00 0.05 0.00 0.00 58.73 58.91 1hfq h TYR 121 Cb 0.63 0.17 -0.12 0.00 1.01 0.00 0.00 36.73 38.43 1hfq h TYR 121 CO 0.15 -0.24 -0.13 -0.22 -1.05 0.00 0.00 178.16 176.67 1hfq h LYS 122 N -0.30 0.01 0.19 4.88 3.64 -0.91 -0.67 116.57 123.41 1hfq h LYS 122 Ca 0.03 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1hfq h LYS 122 Cb 0.33 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1hfq h LYS 122 CO -0.10 0.01 -0.09 1.49 -2.27 0.00 0.00 179.45 178.49 1hfq h GLU 123 N 0.01 -0.24 -1.00 1.90 4.57 -1.52 -3.15 114.58 115.16 1hfq h GLU 123 Ca 0.30 0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.71 1hfq h GLU 123 Cb 0.47 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 29.01 1hfq h GLU 123 CO -0.62 0.09 0.62 0.00 -1.18 0.00 0.00 179.01 177.92 1hfq h ALA 124 N 0.10 1.82 0.00 2.92 0.00 -0.84 -1.80 119.26 121.46 1hfq h ALA 124 Ca -0.03 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1hfq h ALA 124 Cb 0.45 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1hfq h ALA 124 CO 0.04 -0.21 -0.07 0.52 0.00 0.00 0.00 179.25 179.54 1hfq h MET 125 N 0.65 0.00 0.00 0.00 2.86 -1.09 -2.76 114.93 114.59 1hfq h MET 125 Ca 0.58 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.22 1hfq h MET 125 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1hfq h MET 125 CO -0.37 0.07 -1.17 -1.71 1.06 0.00 0.00 176.91 174.79 1hfq n ASN 126 N -3.37 0.87 -4.76 1.22 5.15 -0.70 -4.97 115.26 108.71 1hfq n ASN 126 Ca -0.01 -0.57 -0.41 0.00 -0.60 0.00 0.00 54.58 52.99 1hfq n ASN 126 Cb 0.23 1.29 -0.00 0.00 -0.53 0.00 0.00 39.78 40.77 1hfq n ASN 126 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1hfq n HIS 127 N -1.66 2.89 -3.15 1.20 -0.00 -1.04 -4.92 115.22 108.54 1hfq n HIS 127 Ca 0.01 0.44 -0.39 0.00 0.46 0.00 0.00 57.72 58.24 1hfq n HIS 127 Cb 0.33 -2.52 -0.06 0.00 -0.12 0.00 0.00 29.99 27.62 1hfq n HIS 127 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1hfq s PRO 128 N -1.95 4.35 0.00 1.57 0.04 -1.26 -4.91 135.00 132.85 1hfq s PRO 128 Ca 0.54 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1hfq s PRO 128 Cb -0.49 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1hfq s PRO 128 CO 0.62 0.50 0.00 0.41 0.04 0.00 0.00 177.00 178.58 1hfq n GLY 129 N 1.99 0.73 3.72 0.56 0.00 -1.25 -5.01 105.19 105.92 1hfq n GLY 129 Ca -0.07 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1hfq n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1hfq s HIS 130 N -0.99 3.67 -0.04 1.61 5.65 -1.26 -3.65 115.29 120.29 1hfq s HIS 130 Ca 0.00 1.59 -0.13 0.00 0.25 0.00 0.00 55.06 56.78 1hfq s HIS 130 Cb 0.00 -3.01 0.02 0.00 -1.18 0.00 0.00 32.58 28.41 1hfq s HIS 130 CO 0.00 0.08 0.29 -1.17 -0.65 0.00 0.00 174.74 173.28 1hfq s LEU 131 N 0.69 0.94 -0.03 8.88 2.96 -0.97 -4.64 118.68 126.51 1hfq s LEU 131 Ca 0.47 0.18 0.06 0.00 -0.22 0.00 0.00 54.13 54.62 1hfq s LEU 131 Cb -0.21 1.14 -0.02 0.00 0.50 0.00 0.00 46.19 47.60 1hfq s LEU 131 CO 0.26 -0.35 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.18 1hfq s LYS 132 N -0.97 2.24 -0.19 1.98 1.02 -1.08 -1.80 119.74 120.95 1hfq s LYS 132 Ca -0.10 -0.85 -0.07 0.00 0.02 0.00 0.00 55.97 54.96 1hfq s LYS 132 Cb -0.05 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1hfq s LYS 132 CO 0.03 0.58 0.06 -0.51 -0.92 0.00 0.00 175.35 174.59 1hfq s LEU 133 N -0.68 3.75 -0.47 3.17 1.02 -0.29 -1.51 118.68 123.68 1hfq s LEU 133 Ca 0.11 0.04 -0.09 0.00 0.02 0.00 0.00 54.13 54.20 1hfq s LEU 133 Cb -0.10 -1.95 0.12 0.00 0.02 0.00 0.00 46.19 44.27 1hfq s LEU 133 CO -0.00 0.15 0.35 -0.36 0.02 0.00 0.00 176.35 176.51 1hfq s PHE 134 N 0.51 3.42 -0.18 0.29 0.40 -0.19 -0.79 117.98 121.43 1hfq s PHE 134 Ca 0.03 -1.84 -0.02 0.00 -0.60 0.00 0.00 56.93 54.50 1hfq s PHE 134 Cb -0.13 -3.49 -0.00 0.00 0.51 0.00 0.00 43.02 39.91 1hfq s PHE 134 CO 0.01 -0.99 -0.11 0.08 0.70 0.00 0.00 175.22 174.91 1hfq s VAL 135 N 1.37 2.96 -0.37 -0.44 1.01 0.55 -2.35 120.40 123.14 1hfq s VAL 135 Ca 0.06 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 1hfq s VAL 135 Cb -0.26 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1hfq s VAL 135 CO -0.01 0.48 0.70 -0.89 0.00 0.00 0.00 175.10 175.38 1hfq s THR 136 N 1.09 4.82 -0.50 3.92 2.01 -0.01 0.13 115.64 127.09 1hfq s THR 136 Ca 0.00 0.65 -0.26 0.00 0.31 0.00 0.00 61.69 62.40 1hfq s THR 136 Cb -0.15 -4.15 0.03 0.00 0.01 0.00 0.00 72.50 68.25 1hfq s THR 136 CO -0.03 -0.40 0.98 -0.13 -0.69 0.00 0.00 174.62 174.36 1hfq s ARG 137 N 2.89 3.49 -0.33 4.92 1.81 0.92 -1.76 118.95 130.89 1hfq s ARG 137 Ca 0.27 0.08 -0.18 0.00 -1.72 0.00 0.00 55.73 54.19 1hfq s ARG 137 Cb -0.14 -3.97 -0.01 0.00 -0.45 0.00 0.00 34.95 30.38 1hfq s ARG 137 CO 0.16 -1.37 0.49 0.42 -0.68 0.00 0.00 175.30 174.33 1hfq s ILE 138 N 4.02 5.05 -1.35 1.52 -1.09 0.98 -1.38 121.20 128.94 1hfq s ILE 138 Ca 0.37 0.44 -0.07 0.00 -2.23 0.00 0.00 60.65 59.16 1hfq s ILE 138 Cb -0.10 -3.91 0.11 0.00 -1.58 0.00 0.00 42.46 36.98 1hfq s ILE 138 CO 0.25 -0.12 2.31 0.23 -1.23 0.00 0.00 174.94 176.38 1hfq n MET 139 N 5.65 4.19 -3.63 2.79 2.81 0.13 -2.45 117.12 126.62 1hfq n MET 139 Ca -0.05 -3.31 -0.07 0.00 -1.81 0.00 0.00 57.70 52.46 1hfq n MET 139 Cb 0.49 -2.75 -0.02 0.00 -0.71 0.00 0.00 33.22 30.24 1hfq n MET 139 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1hfq s GLN 140 N -0.26 1.11 0.07 0.03 -2.07 -1.26 -4.76 119.66 112.52 1hfq s GLN 140 Ca 0.52 -0.53 -0.22 0.00 -1.82 0.00 0.00 55.36 53.31 1hfq s GLN 140 Cb 0.16 0.44 -0.06 0.00 -1.09 0.00 0.00 33.01 32.45 1hfq s GLN 140 CO -0.06 -0.50 0.66 -0.51 -1.32 0.00 0.00 175.29 173.55 1hfq s ASP 141 N -2.74 7.14 -0.03 12.60 1.11 -1.26 -1.33 116.67 132.17 1hfq s ASP 141 Ca 0.08 1.36 0.00 0.00 0.18 0.00 0.00 52.55 54.17 1hfq s ASP 141 Cb -0.02 -2.41 0.03 0.00 1.07 0.00 0.00 42.92 41.59 1hfq s ASP 141 CO -0.04 0.17 0.00 -0.36 1.18 0.00 0.00 175.17 176.13 1hfq s PHE 142 N -0.68 0.25 0.13 4.23 0.08 -1.26 -4.98 117.98 115.75 1hfq s PHE 142 Ca 0.33 0.02 -0.32 0.00 0.12 0.00 0.00 56.93 57.08 1hfq s PHE 142 Cb -0.20 -0.36 -0.11 0.00 -0.57 0.00 0.00 43.02 41.78 1hfq s PHE 142 CO 0.21 -0.11 1.80 -1.91 -0.10 0.00 0.00 175.22 175.10 1hfq n GLU 143 N 4.08 2.71 -4.24 0.44 2.13 -1.26 -4.84 120.64 119.65 1hfq n GLU 143 Ca -0.27 0.98 -0.14 0.00 0.66 0.00 0.00 57.16 58.40 1hfq n GLU 143 Cb 0.51 -2.86 -0.10 0.00 0.27 0.00 0.00 31.44 29.26 1hfq n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1hfq s SER 144 N 2.32 1.47 0.00 4.31 0.01 -1.26 -4.78 113.70 115.76 1hfq s SER 144 Ca 0.81 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1hfq s SER 144 Cb -0.51 0.06 0.00 0.00 0.21 0.00 0.00 66.02 65.77 1hfq s SER 144 CO 0.37 -0.47 0.18 -0.90 0.41 0.00 0.00 173.24 172.83 1hfq n ASP 145 N -0.22 0.37 -3.96 2.44 5.75 -0.59 -4.97 116.55 115.37 1hfq n ASP 145 Ca -0.08 -0.81 -0.17 0.00 -0.01 0.00 0.00 54.79 53.71 1hfq n ASP 145 Cb 0.62 0.12 -0.15 0.00 -1.03 0.00 0.00 41.12 40.69 1hfq n ASP 145 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1hfq s THR 146 N -0.12 0.51 0.03 2.12 2.01 -1.14 -5.01 115.64 114.03 1hfq s THR 146 Ca 0.00 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.81 1hfq s THR 146 Cb 0.00 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 1hfq s THR 146 CO 0.00 0.16 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.57 1hfq s PHE 147 N 0.07 1.42 0.27 4.92 0.08 -1.26 -1.20 117.98 122.28 1hfq s PHE 147 Ca -0.00 -0.34 -0.29 0.00 0.12 0.00 0.00 56.93 56.41 1hfq s PHE 147 Cb -0.05 -0.86 -0.09 0.00 -0.57 0.00 0.00 43.02 41.45 1hfq s PHE 147 CO -0.00 0.04 1.17 0.12 -0.10 0.00 0.00 175.22 176.44 1hfq s PHE 148 N -0.73 3.43 0.70 0.36 5.36 -0.40 -4.69 117.98 122.02 1hfq s PHE 148 Ca 0.04 1.58 -0.16 0.00 -0.96 0.00 0.00 56.93 57.44 1hfq s PHE 148 Cb -0.08 -3.40 0.02 0.00 -0.34 0.00 0.00 43.02 39.22 1hfq s PHE 148 CO 0.01 -0.97 1.19 -2.14 -1.46 0.00 0.00 175.22 171.85 1hfq s PRO 149 N -1.27 2.36 0.31 10.12 0.02 -1.26 -4.97 135.00 140.31 1hfq s PRO 149 Ca 0.47 1.72 -0.29 0.00 0.02 0.00 0.00 61.00 62.92 1hfq s PRO 149 Cb -0.34 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.21 1hfq s PRO 149 CO 0.43 -1.66 1.49 -1.21 -0.33 0.00 0.00 177.00 175.72 1hfq s GLU 150 N -3.84 4.18 -0.24 5.54 2.02 -1.26 -4.97 118.70 120.13 1hfq s GLU 150 Ca 0.74 2.47 -0.18 0.00 0.02 0.00 0.00 54.97 58.01 1hfq s GLU 150 Cb -0.28 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 1hfq s GLU 150 CO 0.43 -0.50 0.53 0.42 0.02 0.00 0.00 175.26 176.16 1hfq s ILE 151 N -0.42 5.07 -0.48 -1.63 1.01 -1.26 -5.02 121.20 118.47 1hfq s ILE 151 Ca 0.58 0.94 -0.23 0.00 0.00 0.00 0.00 60.65 61.94 1hfq s ILE 151 Cb -0.45 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.20 1hfq s ILE 151 CO 0.51 0.10 0.79 -0.62 0.00 0.00 0.00 174.94 175.72 1hfq s ASP 152 N 1.42 6.37 0.00 3.58 2.15 -1.26 -4.91 116.67 124.02 1hfq s ASP 152 Ca 0.23 -0.26 0.23 0.00 0.43 0.00 0.00 52.55 53.18 1hfq s ASP 152 Cb -0.16 -2.38 1.13 0.00 -0.30 0.00 0.00 42.92 41.22 1hfq s ASP 152 CO 0.09 -0.96 1.76 0.18 -0.17 0.00 0.00 175.17 176.07 1hfq n LEU 153 N 6.77 0.00 0.17 -1.34 4.77 -1.26 -1.25 117.00 124.86 1hfq n LEU 153 Ca 0.01 0.34 0.06 0.00 -0.03 0.00 0.00 56.01 56.39 1hfq n LEU 153 Cb 0.48 -0.34 0.15 0.00 -2.33 0.00 0.00 43.42 41.38 1hfq n LEU 153 CO 0.59 -0.08 0.61 -0.33 -1.33 0.00 0.00 177.39 176.86 1hfq h GLU 154 N 0.00 0.00 0.00 3.23 5.08 -2.04 -3.37 114.58 117.48 1hfq h GLU 154 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1hfq h GLU 154 Cb 0.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1hfq h GLU 154 CO 0.00 0.35 -2.08 1.63 -1.00 0.00 0.00 179.01 177.90 1hfq n LYS 155 N -3.24 0.56 -3.59 2.33 5.02 -0.67 -4.99 118.16 113.58 1hfq n LYS 155 Ca 0.02 0.10 -0.36 0.00 -2.02 0.00 0.00 58.31 56.05 1hfq n LYS 155 Cb 0.63 -1.38 -0.07 0.00 -0.02 0.00 0.00 35.03 34.18 1hfq n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1hfq s TYR 156 N -2.38 3.48 -0.11 2.13 2.02 -0.38 -4.50 117.35 117.61 1hfq s TYR 156 Ca -0.24 0.58 -0.03 0.00 -0.37 0.00 0.00 57.07 57.01 1hfq s TYR 156 Cb 0.06 -2.28 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 1hfq s TYR 156 CO 0.45 0.32 0.00 0.15 -1.57 0.00 0.00 175.55 174.90 1hfq s LYS 157 N 0.22 3.18 0.03 -0.62 1.02 -0.28 -4.54 119.74 118.76 1hfq s LYS 157 Ca 0.16 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.42 1hfq s LYS 157 Cb -0.13 -2.85 -0.06 0.00 -0.52 0.00 0.00 37.83 34.27 1hfq s LYS 157 CO 0.04 0.59 1.35 -1.17 -0.92 0.00 0.00 175.35 175.24 1hfq s LEU 158 N -0.56 4.33 0.21 3.17 2.96 -1.26 -0.99 118.68 126.54 1hfq s LEU 158 Ca 0.09 2.12 -0.18 0.00 -0.22 0.00 0.00 54.13 55.94 1hfq s LEU 158 Cb -0.12 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 1hfq s LEU 158 CO 0.02 -0.66 0.68 -0.76 -1.32 0.00 0.00 176.35 174.31 1hfq s LEU 159 N 1.95 4.31 0.48 -0.68 1.43 0.47 -4.97 118.68 121.67 1hfq s LEU 159 Ca 0.63 1.31 0.29 0.00 -1.03 0.00 0.00 54.13 55.33 1hfq s LEU 159 Cb -0.32 -3.56 1.00 0.00 0.03 0.00 0.00 46.19 43.34 1hfq s LEU 159 CO 0.27 0.02 1.84 1.55 0.23 0.00 0.00 176.35 180.26 1hfq h PRO 160 N 3.31 0.00 -1.87 1.29 0.13 -1.95 -3.43 132.00 129.48 1hfq h PRO 160 Ca -0.48 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.78 1hfq h PRO 160 Cb 1.19 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 1hfq h PRO 160 CO 0.65 0.00 0.58 -1.83 -0.23 0.00 0.00 178.00 177.18 1hfq s GLU 161 N -3.48 0.63 -0.12 0.86 -1.05 -1.26 -5.06 118.70 109.22 1hfq s GLU 161 Ca 0.04 -0.12 -0.10 0.00 -0.15 0.00 0.00 54.97 54.64 1hfq s GLU 161 Cb 0.08 0.29 0.04 0.00 -0.44 0.00 0.00 34.13 34.10 1hfq s GLU 161 CO 0.57 -0.25 0.32 -0.47 0.95 0.00 0.00 175.26 176.38 1hfq s TYR 162 N -2.32 -0.38 0.02 4.83 5.04 -1.26 -5.04 117.35 118.23 1hfq s TYR 162 Ca 0.04 0.90 -0.31 0.00 -2.44 0.00 0.00 57.07 55.26 1hfq s TYR 162 Cb -0.01 0.13 -0.10 0.00 0.35 0.00 0.00 41.96 42.33 1hfq s TYR 162 CO -0.05 -0.20 1.93 -0.35 -1.34 0.00 0.00 175.55 175.54 1hfq n PRO 163 N 3.32 2.68 -0.85 4.97 -0.04 -1.26 -1.89 135.00 141.93 1hfq n PRO 163 Ca -0.16 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1hfq n PRO 163 Cb 0.57 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 1hfq n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hfq n GLY 164 N 4.46 0.70 3.29 0.55 0.00 -1.26 -5.04 105.19 107.90 1hfq n GLY 164 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1hfq n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hfq s VAL 165 N -2.60 3.24 0.25 1.61 1.01 -0.79 -5.09 120.40 118.03 1hfq s VAL 165 Ca 0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 1hfq s VAL 165 Cb 0.00 -2.46 -0.12 0.00 0.00 0.00 0.00 36.38 33.80 1hfq s VAL 165 CO 0.00 0.44 1.67 0.18 0.00 0.00 0.00 175.10 177.39 1hfq n LEU 166 N 4.73 4.19 0.16 3.92 4.32 -1.26 -4.60 117.00 128.46 1hfq n LEU 166 Ca -0.18 1.10 0.12 0.00 -0.02 0.00 0.00 56.01 57.03 1hfq n LEU 166 Cb 0.51 -1.59 0.11 0.00 -1.62 0.00 0.00 43.42 40.83 1hfq n LEU 166 CO 0.29 0.18 0.47 0.28 -1.22 0.00 0.00 177.39 177.39 1hfq h SER 167 N 5.83 0.00 -3.36 -1.43 0.02 -1.95 -3.39 113.55 109.27 1hfq h SER 167 Ca -0.45 -0.01 -0.48 0.00 -0.84 0.00 0.00 61.79 60.01 1hfq h SER 167 Cb 1.21 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.78 1hfq h SER 167 CO 0.88 0.01 0.05 1.51 -1.14 0.00 0.00 176.83 178.13 1hfq s ASP 168 N -5.68 6.12 0.15 3.07 -4.77 -1.26 -4.89 116.67 109.42 1hfq s ASP 168 Ca 0.04 0.74 -0.31 0.00 -3.30 0.00 0.00 52.55 49.72 1hfq s ASP 168 Cb 0.08 -2.05 -0.10 0.00 -1.09 0.00 0.00 42.92 39.76 1hfq s ASP 168 CO 0.72 -0.62 1.52 -0.69 0.70 0.00 0.00 175.17 176.80 1hfq s VAL 169 N -2.69 2.80 0.33 2.11 1.01 -1.26 -4.72 120.40 117.99 1hfq s VAL 169 Ca 0.47 0.57 0.06 0.00 0.00 0.00 0.00 61.98 63.09 1hfq s VAL 169 Cb -0.10 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1hfq s VAL 169 CO 0.43 0.05 0.47 -1.10 0.00 0.00 0.00 175.10 174.94 1hfq s GLN 170 N 1.08 3.13 -0.15 2.72 -1.52 0.16 -4.96 119.66 120.13 1hfq s GLN 170 Ca 0.68 -0.99 -0.08 0.00 -1.95 0.00 0.00 55.36 53.03 1hfq s GLN 170 Cb -0.42 -2.82 0.06 0.00 -0.22 0.00 0.00 33.01 29.61 1hfq s GLN 170 CO 0.31 0.07 0.36 -2.00 -0.25 0.00 0.00 175.29 173.78 1hfq s GLU 171 N -4.18 0.32 -0.12 2.91 2.12 -1.26 -1.88 118.70 116.62 1hfq s GLU 171 Ca 0.45 0.75 -0.09 0.00 0.36 0.00 0.00 54.97 56.44 1hfq s GLU 171 Cb -0.10 -0.01 0.04 0.00 0.26 0.00 0.00 34.13 34.33 1hfq s GLU 171 CO 0.31 -0.18 0.31 -2.00 -0.54 0.00 0.00 175.26 173.16 1hfq s GLU 172 N 1.59 0.33 -1.03 4.30 2.12 -0.26 -4.86 118.70 120.89 1hfq s GLU 172 Ca -0.08 0.50 -0.05 0.00 0.36 0.00 0.00 54.97 55.70 1hfq s GLU 172 Cb -0.10 0.08 0.04 0.00 0.26 0.00 0.00 34.13 34.42 1hfq s GLU 172 CO -0.11 -0.08 0.25 1.63 -0.54 0.00 0.00 175.26 176.40 1hfq n LYS 173 N 3.39 -2.84 -1.12 4.30 5.02 -1.26 0.72 118.16 126.36 1hfq n LYS 173 Ca -0.17 0.43 -0.04 0.00 -2.02 0.00 0.00 58.31 56.51 1hfq n LYS 173 Cb 0.56 -5.07 -0.02 0.00 -0.02 0.00 0.00 35.03 30.49 1hfq n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hfq n GLY 174 N -0.94 0.68 3.49 0.72 0.00 -1.26 -5.02 105.19 102.87 1hfq n GLY 174 Ca -0.05 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1hfq n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hfq s ILE 175 N -2.06 3.34 -0.03 -0.61 1.01 0.22 -5.11 121.20 117.97 1hfq s ILE 175 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 1hfq s ILE 175 Cb 0.00 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1hfq s ILE 175 CO 0.00 0.57 0.16 -0.54 0.00 0.00 0.00 174.94 175.14 1hfq s LYS 176 N -0.47 3.40 0.16 2.79 1.02 -1.26 -1.10 119.74 124.27 1hfq s LYS 176 Ca 0.06 -0.31 -0.13 0.00 0.02 0.00 0.00 55.97 55.61 1hfq s LYS 176 Cb -0.12 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1hfq s LYS 176 CO 0.02 0.69 0.38 1.52 -0.92 0.00 0.00 175.35 177.04 1hfq s TYR 177 N -1.26 0.09 0.04 3.18 1.13 -0.78 0.17 117.35 119.92 1hfq s TYR 177 Ca 0.25 -0.44 -0.00 0.00 -1.41 0.00 0.00 57.07 55.46 1hfq s TYR 177 Cb -0.12 0.16 -0.03 0.00 -1.10 0.00 0.00 41.96 40.86 1hfq s TYR 177 CO 0.16 -0.77 -0.04 -1.59 -2.51 0.00 0.00 175.55 170.80 1hfq s LYS 178 N -3.90 0.50 -0.22 -3.49 -2.85 -0.48 0.40 119.74 109.71 1hfq s LYS 178 Ca 0.11 -0.94 -0.20 0.00 -1.00 0.00 0.00 55.97 53.94 1hfq s LYS 178 Cb 0.02 0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 1hfq s LYS 178 CO -0.04 -0.06 0.59 -0.06 0.10 0.00 0.00 175.35 175.88 1hfq s PHE 179 N -2.68 3.34 0.16 1.78 0.08 -1.26 -0.06 117.98 119.34 1hfq s PHE 179 Ca -0.03 0.83 0.11 0.00 0.12 0.00 0.00 56.93 57.96 1hfq s PHE 179 Cb -0.01 -2.77 -0.04 0.00 -0.57 0.00 0.00 43.02 39.63 1hfq s PHE 179 CO -0.05 -0.20 -0.25 -1.21 -0.10 0.00 0.00 175.22 173.40 1hfq s GLU 180 N 2.03 1.44 -0.11 0.44 2.02 0.12 -4.86 118.70 119.78 1hfq s GLU 180 Ca 0.26 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.82 1hfq s GLU 180 Cb -0.16 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.26 1hfq s GLU 180 CO 0.10 0.42 -0.10 0.08 0.02 0.00 0.00 175.26 175.77 1hfq s VAL 181 N -1.39 1.16 -0.03 2.63 1.01 -1.26 -0.33 120.40 122.18 1hfq s VAL 181 Ca 0.17 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1hfq s VAL 181 Cb -0.09 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1hfq s VAL 181 CO 0.08 0.38 -0.14 -0.31 0.00 0.00 0.00 175.10 175.11 1hfq s TYR 182 N 1.47 2.71 -0.03 5.22 1.51 0.03 -0.40 117.35 127.85 1hfq s TYR 182 Ca 0.01 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 1hfq s TYR 182 Cb -0.13 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1hfq s TYR 182 CO -0.06 0.22 -0.11 -2.00 -1.11 0.00 0.00 175.55 172.48 1hfq s GLU 183 N -0.88 1.21 0.24 -0.62 2.12 -0.16 -1.13 118.70 119.47 1hfq s GLU 183 Ca 0.12 -0.37 0.11 0.00 0.36 0.00 0.00 54.97 55.20 1hfq s GLU 183 Cb -0.11 -1.09 -0.05 0.00 0.26 0.00 0.00 34.13 33.14 1hfq s GLU 183 CO 0.02 0.12 -0.21 0.21 -0.54 0.00 0.00 175.26 174.86 1hfq s LYS 184 N 0.25 1.57 -0.29 4.30 2.20 -0.74 -1.12 119.74 125.91 1hfq s LYS 184 Ca -0.05 -1.65 -0.00 0.00 -0.36 0.00 0.00 55.97 53.91 1hfq s LYS 184 Cb -0.10 -1.72 0.19 0.00 -1.51 0.00 0.00 37.83 34.69 1hfq s LYS 184 CO 0.01 0.34 0.73 1.21 -0.36 0.00 0.00 175.35 177.29 1hfq s ASN 185 N -3.16 -1.23 0.00 1.43 3.04 -1.26 -2.29 114.94 111.48 1hfq s ASN 185 Ca 0.25 0.24 0.00 0.00 0.04 0.00 0.00 52.86 53.40 1hfq s ASN 185 Cb -0.06 1.82 0.00 0.00 -1.54 0.00 0.00 41.25 41.47 1hfq s ASN 185 CO 0.12 -0.23 0.00 -0.90 -3.04 0.00 0.00 177.10 173.06