#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fqc s LEU 2 N 0.00 4.00 0.06 -4.42 2.96 -1.26 -0.69 118.68 119.33 3fqc s LEU 2 Ca 0.00 -1.15 0.10 0.00 -0.22 0.00 0.00 54.13 52.86 3fqc s LEU 2 Cb 0.00 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 3fqc s LEU 2 CO 0.00 -0.27 -0.26 -0.44 -1.32 0.00 0.00 176.35 174.05 3fqc s SER 3 N 1.33 3.18 0.17 3.68 0.01 -0.06 -0.04 113.70 121.96 3fqc s SER 3 Ca -0.03 -0.62 -0.20 0.00 1.31 0.00 0.00 55.95 56.41 3fqc s SER 3 Cb -0.19 -0.27 -0.08 0.00 0.21 0.00 0.00 66.02 65.69 3fqc s SER 3 CO 0.00 0.24 0.68 -0.63 0.41 0.00 0.00 173.24 173.95 3fqc s ILE 4 N -0.86 4.59 -0.19 1.44 1.01 -0.20 0.76 121.20 127.76 3fqc s ILE 4 Ca 0.12 1.31 -0.01 0.00 0.00 0.00 0.00 60.65 62.07 3fqc s ILE 4 Cb -0.10 -3.92 0.05 0.00 0.01 0.00 0.00 42.46 38.51 3fqc s ILE 4 CO 0.03 0.36 -0.02 -0.22 0.00 0.00 0.00 174.94 175.09 3fqc s LEU 5 N -1.59 1.69 -0.07 2.97 2.96 0.24 -0.19 118.68 124.68 3fqc s LEU 5 Ca 0.38 -0.83 -0.14 0.00 -0.22 0.00 0.00 54.13 53.32 3fqc s LEU 5 Cb -0.19 -0.86 0.03 0.00 0.50 0.00 0.00 46.19 45.67 3fqc s LEU 5 CO 0.21 -0.24 0.34 0.54 -1.32 0.00 0.00 176.35 175.89 3fqc s VAL 6 N 1.65 0.03 -0.24 1.68 0.11 -0.70 -4.48 120.40 118.46 3fqc s VAL 6 Ca -0.01 -0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 58.76 3fqc s VAL 6 Cb -0.17 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.13 3fqc s VAL 6 CO -0.07 -0.13 -0.04 0.00 -3.33 0.00 0.00 175.10 171.52 3fqc s ALA 7 N -0.62 2.76 0.11 1.54 0.00 -1.26 -0.65 121.76 123.64 3fqc s ALA 7 Ca -0.07 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 50.57 3fqc s ALA 7 Cb -0.04 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 3fqc s ALA 7 CO 0.03 -0.70 -0.13 -3.38 0.00 0.00 0.00 175.76 171.58 3fqc s HIS 8 N 1.39 1.29 0.18 0.00 -3.43 -0.37 -4.58 115.29 109.77 3fqc s HIS 8 Ca 0.02 -0.56 -0.01 0.00 -0.80 0.00 0.00 55.06 53.71 3fqc s HIS 8 Cb -0.16 -0.69 0.04 0.00 -1.43 0.00 0.00 32.58 30.34 3fqc s HIS 8 CO -0.04 0.09 0.25 -0.40 -2.00 0.00 0.00 174.74 172.65 3fqc n ASP 9 N 0.68 0.23 0.33 7.38 5.75 -0.72 0.39 116.55 130.59 3fqc n ASP 9 Ca -0.17 -1.22 0.22 0.00 -0.01 0.00 0.00 54.79 53.61 3fqc n ASP 9 Cb 0.57 -0.17 1.14 0.00 -1.03 0.00 0.00 41.12 41.62 3fqc n ASP 9 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3fqc h LEU 10 N 0.00 0.00 -3.00 -2.12 3.38 -0.99 0.03 115.31 112.61 3fqc h LEU 10 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3fqc h LEU 10 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3fqc h LEU 10 CO 0.08 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3fqc n GLN 11 N -3.09 2.94 -1.36 1.13 6.02 -1.26 -4.97 117.38 116.78 3fqc n GLN 11 Ca -0.02 -2.33 -0.11 0.00 -0.01 0.00 0.00 57.00 54.52 3fqc n GLN 11 Cb 0.11 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 29.85 3fqc n GLN 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3fqc n ARG 12 N 0.27 -0.78 -1.88 -1.09 1.74 -0.00 -4.91 116.66 110.02 3fqc n ARG 12 Ca 0.15 0.88 -0.42 0.00 -0.77 0.00 0.00 57.85 57.69 3fqc n ARG 12 Cb 0.59 -4.85 -0.03 0.00 -1.02 0.00 0.00 32.46 27.15 3fqc n ARG 12 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fqc s VAL 13 N -2.42 2.44 -0.02 1.55 1.01 -1.26 -0.23 120.40 121.47 3fqc s VAL 13 Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.34 3fqc s VAL 13 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 3fqc s VAL 13 CO 0.00 0.03 0.08 2.30 0.00 0.00 0.00 175.10 177.51 3fqc n ILE 14 N 3.68 0.00 -3.46 2.22 -5.35 0.13 -1.75 119.36 114.82 3fqc n ILE 14 Ca 0.13 -0.12 -0.12 0.00 -0.27 0.00 0.00 62.75 62.37 3fqc n ILE 14 Cb 0.38 0.51 -0.02 0.00 -1.74 0.00 0.00 39.64 38.76 3fqc n ILE 14 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fqc s GLY 15 N -2.22 -0.56 -0.05 3.28 0.00 -1.16 -4.58 107.32 102.03 3fqc s GLY 15 Ca -0.01 0.39 -0.02 0.00 0.00 0.00 0.00 44.72 45.08 3fqc s GLY 15 CO 0.13 0.10 0.08 -0.12 0.00 0.00 0.00 173.10 173.29 3fqc s PHE 16 N -3.76 -0.02 -1.33 1.90 2.19 0.17 -0.43 117.98 116.68 3fqc s PHE 16 Ca 0.02 0.32 -0.01 0.00 0.33 0.00 0.00 56.93 57.59 3fqc s PHE 16 Cb -0.01 -0.33 -0.00 0.00 -1.31 0.00 0.00 43.02 41.37 3fqc s PHE 16 CO -0.12 -0.18 0.60 0.39 1.83 0.00 0.00 175.22 177.75 3fqc n GLU 17 N 4.89 -4.23 -1.54 10.12 1.02 -1.26 -1.52 120.64 128.12 3fqc n GLU 17 Ca -0.12 0.54 -0.19 0.00 -0.02 0.00 0.00 57.16 57.37 3fqc n GLU 17 Cb 0.50 -4.93 -0.08 0.00 -0.02 0.00 0.00 31.44 26.91 3fqc n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fqc n ASN 18 N -3.02 -5.55 -4.30 1.62 3.02 -1.26 -4.98 115.26 100.79 3fqc n ASN 18 Ca -0.30 0.46 -0.17 0.00 -0.03 0.00 0.00 54.58 54.54 3fqc n ASN 18 Cb 0.68 -4.68 -0.10 0.00 -0.61 0.00 0.00 39.78 35.07 3fqc n ASN 18 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3fqc s GLN 19 N -3.57 1.20 0.23 3.52 -0.21 -0.57 -4.79 119.66 115.47 3fqc s GLN 19 Ca 0.00 -1.52 -0.30 0.00 0.02 0.00 0.00 55.36 53.56 3fqc s GLN 19 Cb 0.00 -0.89 -0.10 0.00 1.00 0.00 0.00 33.01 33.02 3fqc s GLN 19 CO 0.00 0.14 1.47 -0.51 -2.12 0.00 0.00 175.29 174.26 3fqc s LEU 20 N -3.23 4.38 0.00 2.90 1.43 -1.26 -0.66 118.68 122.24 3fqc s LEU 20 Ca 0.20 2.65 0.22 0.00 -1.03 0.00 0.00 54.13 56.16 3fqc s LEU 20 Cb 0.01 -3.62 1.32 0.00 0.03 0.00 0.00 46.19 43.93 3fqc s LEU 20 CO 0.04 -0.73 1.79 -2.65 0.23 0.00 0.00 176.35 175.03 3fqc n PRO 21 N 2.73 0.91 -4.02 1.29 -0.02 -1.26 -4.84 135.00 129.79 3fqc n PRO 21 Ca 0.08 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 3fqc n PRO 21 Cb 0.40 -1.38 -0.06 0.00 -0.02 0.00 0.00 33.50 32.44 3fqc n PRO 21 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3fqc s TRP 22 N -2.00 0.49 -0.11 6.00 -2.14 -1.26 -5.00 118.94 114.92 3fqc s TRP 22 Ca 0.33 -0.83 -0.01 0.00 2.66 0.00 0.00 56.10 58.25 3fqc s TRP 22 Cb 0.15 0.10 0.03 0.00 -3.10 0.00 0.00 33.47 30.65 3fqc s TRP 22 CO 0.25 -0.97 -0.03 -1.58 -2.66 0.00 0.00 176.95 171.96 3fqc s HIS 23 N -3.95 1.15 -0.34 1.66 2.46 -1.26 -5.10 115.29 109.91 3fqc s HIS 23 Ca 0.25 -0.58 -0.01 0.00 0.47 0.00 0.00 55.06 55.19 3fqc s HIS 23 Cb 0.00 -1.06 0.12 0.00 -0.13 0.00 0.00 32.58 31.51 3fqc s HIS 23 CO 0.10 -0.47 0.16 -1.17 -2.47 0.00 0.00 174.74 170.89 3fqc s LEU 24 N 1.82 1.60 0.25 8.88 2.96 -1.26 -4.86 118.68 128.07 3fqc s LEU 24 Ca 0.04 -1.86 -0.03 0.00 -0.22 0.00 0.00 54.13 52.05 3fqc s LEU 24 Cb -0.13 -0.66 0.51 0.00 0.50 0.00 0.00 46.19 46.41 3fqc s LEU 24 CO -0.07 -0.37 1.70 -0.65 -1.32 0.00 0.00 176.35 175.64 3fqc h PRO 25 N 7.66 0.33 0.00 0.98 0.11 -1.99 -1.62 132.00 137.47 3fqc h PRO 25 Ca -0.08 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3fqc h PRO 25 Cb 0.99 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3fqc h PRO 25 CO 0.42 0.22 -0.03 -0.91 -0.21 0.00 0.00 178.00 177.48 3fqc h ASN 26 N 0.34 0.00 0.74 -2.05 2.35 -1.95 -1.70 115.58 113.31 3fqc h ASN 26 Ca 0.44 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.94 3fqc h ASN 26 Cb 0.75 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 3fqc h ASN 26 CO -0.49 0.03 -1.17 -0.78 -1.65 0.00 0.00 177.43 173.38 3fqc h ASP 27 N 0.00 0.30 -0.75 5.81 1.82 -1.74 -2.20 116.42 119.66 3fqc h ASP 27 Ca -0.00 -0.32 -0.03 0.00 -0.39 0.00 0.00 57.03 56.30 3fqc h ASP 27 Cb 0.06 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 39.93 3fqc h ASP 27 CO 0.00 1.25 0.37 -0.07 -1.61 0.00 0.00 179.24 179.18 3fqc h LEU 28 N 0.05 0.98 -0.61 2.28 3.38 -1.04 -1.24 115.31 119.12 3fqc h LEU 28 Ca -0.10 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 3fqc h LEU 28 Cb 1.91 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 3fqc h LEU 28 CO 0.18 0.83 -0.10 0.50 0.09 0.00 0.00 178.44 179.94 3fqc h LYS 29 N 1.08 1.00 -0.73 1.13 3.64 -1.32 -1.25 116.57 120.13 3fqc h LYS 29 Ca 0.26 -0.36 0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3fqc h LYS 29 Cb 0.11 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 3fqc h LYS 29 CO -0.03 1.04 0.40 1.25 -2.27 0.00 0.00 179.45 179.84 3fqc h HIS 30 N 0.90 0.73 -0.20 1.91 2.76 -1.07 0.45 115.15 120.62 3fqc h HIS 30 Ca 0.14 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 3fqc h HIS 30 Cb 0.65 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 3fqc h HIS 30 CO 0.04 0.32 0.04 0.28 -1.30 0.00 0.00 177.93 177.31 3fqc h VAL 31 N 0.71 1.21 0.18 5.26 2.07 -0.93 -2.43 116.25 122.32 3fqc h VAL 31 Ca 0.34 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3fqc h VAL 31 Cb 0.27 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 3fqc h VAL 31 CO -0.22 0.22 -0.34 0.50 0.02 0.00 0.00 177.57 177.75 3fqc h LYS 32 N 0.14 -0.58 -0.93 1.57 3.64 -0.99 -1.73 116.57 117.70 3fqc h LYS 32 Ca 0.06 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.61 3fqc h LYS 32 Cb 0.29 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 3fqc h LYS 32 CO 0.00 -0.39 0.59 -0.22 -2.27 0.00 0.00 179.45 177.17 3fqc h LYS 33 N -0.60 0.81 0.09 1.90 3.11 -0.92 -1.92 116.57 119.04 3fqc h LYS 33 Ca 0.02 -0.05 -0.32 0.00 -2.81 0.00 0.00 60.65 57.49 3fqc h LYS 33 Cb 0.60 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.63 3fqc h LYS 33 CO -0.16 0.53 -1.69 1.25 -2.81 0.00 0.00 179.45 176.57 3fqc h LEU 34 N 0.83 0.29 0.00 5.20 5.85 -1.28 -3.40 115.31 122.81 3fqc h LEU 34 Ca 0.46 -0.51 -0.13 0.00 0.84 0.00 0.00 57.88 58.54 3fqc h LEU 34 Cb 0.57 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3fqc h LEU 34 CO -0.22 1.44 -1.89 -1.54 -0.34 0.00 0.00 178.44 175.89 3fqc n SER 35 N -3.36 1.24 -4.67 1.25 3.41 -0.66 -4.93 113.62 105.90 3fqc n SER 35 Ca -0.20 0.00 -0.53 0.00 -0.26 0.00 0.00 58.87 57.87 3fqc n SER 35 Cb 1.04 1.34 -0.06 0.00 -0.26 0.00 0.00 64.21 66.28 3fqc n SER 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3fqc n THR 36 N -2.30 0.24 -0.48 6.66 -1.04 -0.73 -1.19 114.28 115.45 3fqc n THR 36 Ca -0.13 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 3fqc n THR 36 Cb 0.70 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 3fqc n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fqc n GLY 37 N 3.70 0.76 0.00 3.41 0.00 0.11 -5.00 105.19 108.17 3fqc n GLY 37 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3fqc n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fqc n HIS 38 N -2.43 0.00 -4.95 1.61 -0.00 -0.33 -4.94 115.22 104.18 3fqc n HIS 38 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.43 3fqc n HIS 38 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.82 3fqc n HIS 38 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3fqc s THR 39 N 1.43 1.65 -0.22 1.59 2.01 -0.98 -0.65 115.64 120.48 3fqc s THR 39 Ca 0.00 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 3fqc s THR 39 Cb 0.00 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 3fqc s THR 39 CO 0.00 0.47 0.08 -0.76 -0.69 0.00 0.00 174.62 173.72 3fqc s LEU 40 N 0.35 3.72 -0.16 4.42 1.43 0.25 -0.05 118.68 128.63 3fqc s LEU 40 Ca -0.14 -0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 52.88 3fqc s LEU 40 Cb -0.16 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 3fqc s LEU 40 CO 0.06 0.07 0.02 -0.69 0.23 0.00 0.00 176.35 176.03 3fqc s VAL 41 N 1.01 4.39 0.06 -1.59 1.01 0.24 -0.64 120.40 124.88 3fqc s VAL 41 Ca 0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 3fqc s VAL 41 Cb -0.14 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 3fqc s VAL 41 CO 0.03 0.49 0.08 0.00 0.00 0.00 0.00 175.10 175.71 3fqc s MET 42 N 0.21 0.70 0.65 2.72 0.00 -0.57 -0.12 119.30 122.88 3fqc s MET 42 Ca 0.01 -1.02 -0.11 0.00 0.00 0.00 0.00 55.69 54.58 3fqc s MET 42 Cb -0.13 0.27 -0.02 0.00 0.00 0.00 0.00 34.83 34.95 3fqc s MET 42 CO 0.01 -0.18 1.04 0.20 0.00 0.00 0.00 175.02 176.10 3fqc s GLY 43 N -2.72 1.64 0.15 3.16 0.00 0.51 -0.12 107.32 109.94 3fqc s GLY 43 Ca 0.04 -0.22 -0.17 0.00 0.00 0.00 0.00 44.72 44.36 3fqc s GLY 43 CO -0.09 0.08 1.70 -0.09 0.00 0.00 0.00 173.10 174.70 3fqc h ARG 44 N -0.42 0.07 -0.74 2.90 1.12 -1.68 -1.58 114.38 114.04 3fqc h ARG 44 Ca -0.44 -0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.36 3fqc h ARG 44 Cb 1.22 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 31.13 3fqc h ARG 44 CO 0.63 0.04 0.23 0.87 -3.11 0.00 0.00 179.97 178.63 3fqc h LYS 45 N 0.07 1.16 -0.22 0.20 1.57 -1.94 -0.85 116.57 116.56 3fqc h LYS 45 Ca 0.16 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3fqc h LYS 45 Cb 0.23 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3fqc h LYS 45 CO -0.29 0.99 0.09 1.15 -0.57 0.00 0.00 179.45 180.81 3fqc h THR 46 N 1.11 0.97 -0.40 -0.16 2.02 -1.80 -2.55 112.91 112.09 3fqc h THR 46 Ca 0.24 -0.07 0.06 0.00 0.77 0.00 0.00 66.41 67.41 3fqc h THR 46 Cb 0.31 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 3fqc h THR 46 CO -0.01 0.04 0.09 0.15 0.37 0.00 0.00 175.52 176.15 3fqc h PHE 47 N 0.20 0.14 0.00 3.16 3.04 -0.83 -2.35 116.94 120.29 3fqc h PHE 47 Ca 0.09 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 3fqc h PHE 47 Cb 0.04 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.55 3fqc h PHE 47 CO -0.11 0.02 -0.00 0.93 -2.02 0.00 0.00 178.31 177.13 3fqc h GLU 48 N 0.22 0.00 -0.01 1.11 5.08 -0.96 0.83 114.58 120.85 3fqc h GLU 48 Ca 0.19 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 3fqc h GLU 48 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3fqc h GLU 48 CO -0.25 0.00 -0.62 0.66 -1.00 0.00 0.00 179.01 177.80 3fqc h SER 49 N 0.00 0.05 0.00 1.42 4.64 -1.01 -3.32 113.55 115.33 3fqc h SER 49 Ca -0.00 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.17 3fqc h SER 49 Cb 0.00 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 3fqc h SER 49 CO 0.00 0.65 -0.79 0.40 -0.87 0.00 0.00 176.83 176.22 3fqc h ILE 50 N 0.03 0.71 0.00 0.95 2.04 -0.74 -3.49 117.51 117.01 3fqc h ILE 50 Ca -0.01 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.06 3fqc h ILE 50 Cb 1.10 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3fqc h ILE 50 CO 0.08 0.24 0.00 0.61 0.00 0.00 0.00 178.15 179.08 3fqc n GLY 51 N 1.53 2.36 3.51 5.37 0.00 0.26 -4.95 105.19 113.28 3fqc n GLY 51 Ca -0.20 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 3fqc n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fqc s LYS 52 N 0.00 2.05 0.89 1.61 3.01 -1.26 -4.98 119.74 121.06 3fqc s LYS 52 Ca 0.00 -1.02 -0.10 0.00 -1.01 0.00 0.00 55.97 53.83 3fqc s LYS 52 Cb 0.00 -2.23 0.13 0.00 -1.01 0.00 0.00 37.83 34.72 3fqc s LYS 52 CO 0.00 0.52 1.12 -1.25 0.51 0.00 0.00 175.35 176.25 3fqc s PRO 53 N -1.83 1.24 0.04 -1.68 0.04 -1.26 -4.99 135.00 126.56 3fqc s PRO 53 Ca 0.17 1.36 -0.21 0.00 0.04 0.00 0.00 61.00 62.37 3fqc s PRO 53 Cb -0.11 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 3fqc s PRO 53 CO 0.09 -2.41 0.61 -0.51 0.04 0.00 0.00 177.00 174.82 3fqc s LEU 54 N -6.44 4.48 0.60 -3.56 1.43 -1.26 -5.04 118.68 108.88 3fqc s LEU 54 Ca 0.65 1.26 -0.20 0.00 -1.03 0.00 0.00 54.13 54.82 3fqc s LEU 54 Cb -0.21 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 3fqc s LEU 54 CO 0.58 0.17 1.26 -2.65 0.23 0.00 0.00 176.35 175.94 3fqc n PRO 55 N 2.25 1.30 -2.11 1.29 -0.02 -1.26 -4.04 135.00 132.41 3fqc n PRO 55 Ca -0.08 0.49 -0.15 0.00 -2.02 0.00 0.00 63.50 61.75 3fqc n PRO 55 Cb 0.51 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 3fqc n PRO 55 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fqc n ASN 56 N -1.35 -4.52 -3.51 2.55 4.13 -1.26 -4.88 115.26 106.43 3fqc n ASN 56 Ca 0.13 0.06 -0.11 0.00 1.68 0.00 0.00 54.58 56.34 3fqc n ASN 56 Cb 0.46 -3.60 -0.02 0.00 -1.54 0.00 0.00 39.78 35.09 3fqc n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fqc s ARG 57 N -4.44 1.37 -0.05 3.52 1.70 -1.26 0.08 118.95 119.87 3fqc s ARG 57 Ca 0.00 -0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 54.38 3fqc s ARG 57 Cb 0.00 0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 34.93 3fqc s ARG 57 CO 0.00 -0.60 1.23 0.50 -1.08 0.00 0.00 175.30 175.35 3fqc s ARG 58 N -3.79 4.33 -0.31 3.89 3.52 0.17 -4.89 118.95 121.89 3fqc s ARG 58 Ca 0.03 1.72 -0.11 0.00 -0.13 0.00 0.00 55.73 57.24 3fqc s ARG 58 Cb -0.02 -3.57 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 3fqc s ARG 58 CO -0.09 -0.48 0.18 -0.80 -0.81 0.00 0.00 175.30 173.30 3fqc s ASN 59 N 1.57 5.72 -0.13 -2.12 0.02 -1.26 -0.58 114.94 118.16 3fqc s ASN 59 Ca 0.57 -0.41 -0.01 0.00 -1.02 0.00 0.00 52.86 51.99 3fqc s ASN 59 Cb -0.25 -2.05 -0.02 0.00 0.02 0.00 0.00 41.25 38.94 3fqc s ASN 59 CO 0.22 -0.18 -0.10 -0.69 0.02 0.00 0.00 177.10 176.38 3fqc s VAL 60 N 1.66 3.35 -0.12 1.60 1.01 0.18 -0.22 120.40 127.87 3fqc s VAL 60 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3fqc s VAL 60 Cb -0.17 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 3fqc s VAL 60 CO 0.08 0.52 -0.13 -0.69 0.00 0.00 0.00 175.10 174.88 3fqc s VAL 61 N 0.22 3.06 -0.22 2.92 1.01 0.95 -1.52 120.40 126.82 3fqc s VAL 61 Ca -0.06 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 3fqc s VAL 61 Cb -0.15 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 3fqc s VAL 61 CO 0.04 0.54 0.18 -0.22 0.00 0.00 0.00 175.10 175.64 3fqc s LEU 62 N 0.17 4.16 -0.09 3.92 2.96 0.83 -1.30 118.68 129.33 3fqc s LEU 62 Ca -0.07 0.21 -0.31 0.00 -0.22 0.00 0.00 54.13 53.74 3fqc s LEU 62 Cb -0.15 -2.15 0.09 0.00 0.50 0.00 0.00 46.19 44.48 3fqc s LEU 62 CO 0.05 0.10 0.78 0.28 -1.32 0.00 0.00 176.35 176.24 3fqc s THR 63 N 0.80 0.00 -1.15 3.68 -1.32 -1.02 -1.73 115.64 114.90 3fqc s THR 63 Ca 0.09 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.84 3fqc s THR 63 Cb -0.13 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.01 3fqc s THR 63 CO 0.02 0.00 1.61 -1.54 -2.21 0.00 0.00 174.62 172.51 3fqc n SER 64 N 0.92 0.41 -4.58 8.08 3.41 -1.26 -4.10 113.62 116.51 3fqc n SER 64 Ca -0.16 -0.16 -0.41 0.00 -0.26 0.00 0.00 58.87 57.88 3fqc n SER 64 Cb 0.57 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 3fqc n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fqc s ASP 65 N -2.89 5.73 0.16 4.04 3.68 -1.26 -4.87 116.67 121.26 3fqc s ASP 65 Ca 0.15 0.75 0.25 0.00 2.13 0.00 0.00 52.55 55.82 3fqc s ASP 65 Cb 0.18 -2.53 0.91 0.00 -1.45 0.00 0.00 42.92 40.04 3fqc s ASP 65 CO 0.61 -1.94 1.75 1.07 0.13 0.00 0.00 175.17 176.79 3fqc n THR 66 N 7.23 0.61 1.13 1.71 5.66 -1.26 -2.50 114.28 126.86 3fqc n THR 66 Ca 0.20 -0.02 0.13 0.00 -3.05 0.00 0.00 64.05 61.31 3fqc n THR 66 Cb 0.49 -0.79 0.37 0.00 -1.55 0.00 0.00 70.33 68.85 3fqc n THR 66 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3fqc n SER 67 N -2.04 0.62 -4.68 1.09 3.41 -1.26 -4.94 113.62 105.82 3fqc n SER 67 Ca 0.05 -0.44 -0.46 0.00 -0.26 0.00 0.00 58.87 57.75 3fqc n SER 67 Cb 0.32 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.34 3fqc n SER 67 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3fqc n PHE 68 N -1.15 2.37 -3.31 7.33 7.35 -1.04 -4.94 117.46 124.06 3fqc n PHE 68 Ca 0.09 0.02 -0.07 0.00 -0.76 0.00 0.00 57.45 56.72 3fqc n PHE 68 Cb 0.33 -2.65 -0.06 0.00 0.35 0.00 0.00 39.48 37.44 3fqc n PHE 68 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3fqc s ASN 69 N 3.11 0.06 -0.03 -2.13 3.84 -1.26 -4.99 114.94 113.54 3fqc s ASN 69 Ca 0.87 0.13 -0.01 0.00 0.21 0.00 0.00 52.86 54.07 3fqc s ASN 69 Cb -0.64 1.25 0.03 0.00 -0.55 0.00 0.00 41.25 41.33 3fqc s ASN 69 CO 0.45 -0.31 0.06 -0.69 -2.79 0.00 0.00 177.10 173.82 3fqc s VAL 70 N 2.59 -0.04 0.12 -5.21 1.01 -1.26 -5.13 120.40 112.47 3fqc s VAL 70 Ca 0.13 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 3fqc s VAL 70 Cb -0.14 -0.11 -0.07 0.00 0.00 0.00 0.00 36.38 36.06 3fqc s VAL 70 CO -0.20 0.07 1.16 -1.61 0.00 0.00 0.00 175.10 174.51 3fqc s GLU 71 N 0.88 4.50 0.00 2.72 2.02 -1.26 -2.21 118.70 125.35 3fqc s GLU 71 Ca -0.07 1.76 0.00 0.00 0.02 0.00 0.00 54.97 56.67 3fqc s GLU 71 Cb -0.10 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.82 3fqc s GLU 71 CO -0.03 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.56 3fqc n GLY 72 N 2.62 0.72 3.14 -1.39 0.00 -1.26 -4.77 105.19 104.24 3fqc n GLY 72 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3fqc n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fqc s VAL 73 N -2.67 1.95 0.32 1.61 1.01 -0.94 -4.29 120.40 117.40 3fqc s VAL 73 Ca 0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 3fqc s VAL 73 Cb 0.00 -1.74 -0.07 0.00 0.00 0.00 0.00 36.38 34.57 3fqc s VAL 73 CO 0.00 0.53 0.68 -1.81 0.00 0.00 0.00 175.10 174.49 3fqc s ASP 74 N 0.93 6.61 -0.05 3.32 1.01 0.69 -4.63 116.67 124.56 3fqc s ASP 74 Ca -0.05 1.07 0.04 0.00 0.71 0.00 0.00 52.55 54.31 3fqc s ASP 74 Cb -0.15 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.49 3fqc s ASP 74 CO -0.04 -0.24 -0.15 -0.69 0.21 0.00 0.00 175.17 174.26 3fqc s VAL 75 N -2.09 1.30 0.24 -1.27 1.01 -1.26 -0.03 120.40 118.29 3fqc s VAL 75 Ca 0.50 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.90 3fqc s VAL 75 Cb -0.11 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 3fqc s VAL 75 CO 0.25 0.38 -0.05 0.27 0.00 0.00 0.00 175.10 175.95 3fqc s ILE 76 N 0.18 1.35 0.00 2.22 -4.36 -0.42 -4.93 121.20 115.24 3fqc s ILE 76 Ca -0.06 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.24 3fqc s ILE 76 Cb -0.12 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.28 3fqc s ILE 76 CO 0.02 -0.38 0.00 1.41 0.24 0.00 0.00 174.94 176.23 3fqc n HIS 77 N -0.46 0.00 -4.25 1.37 8.25 -1.26 -2.44 115.22 116.44 3fqc n HIS 77 Ca -0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.20 3fqc n HIS 77 Cb 0.63 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.62 3fqc n HIS 77 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3fqc s SER 78 N -0.87 2.15 0.37 0.41 1.04 -1.26 -4.72 113.70 110.81 3fqc s SER 78 Ca 0.00 -0.73 0.07 0.00 0.48 0.00 0.00 55.95 55.77 3fqc s SER 78 Cb 0.00 -0.09 0.77 0.00 0.10 0.00 0.00 66.02 66.80 3fqc s SER 78 CO 0.00 -0.06 1.95 0.40 0.98 0.00 0.00 173.24 176.51 3fqc h ILE 79 N 3.85 0.98 -0.31 -1.02 1.08 -2.01 -2.74 117.51 117.35 3fqc h ILE 79 Ca -0.42 -0.25 0.09 0.00 -0.39 0.00 0.00 64.86 63.89 3fqc h ILE 79 Cb 1.19 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 3fqc h ILE 79 CO 0.45 0.13 0.30 -0.33 -0.69 0.00 0.00 178.15 178.01 3fqc h GLU 80 N 0.72 0.00 0.00 2.37 4.39 -2.03 -1.63 114.58 118.40 3fqc h GLU 80 Ca 0.33 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.99 3fqc h GLU 80 Cb 0.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3fqc h GLU 80 CO -0.12 0.00 -0.18 -0.44 -1.16 0.00 0.00 179.01 177.11 3fqc h ASP 81 N 0.00 0.00 -0.72 1.42 3.32 -1.91 -3.09 116.42 115.44 3fqc h ASP 81 Ca 0.15 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.23 3fqc h ASP 81 Cb 0.74 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 3fqc h ASP 81 CO -0.00 0.18 0.47 0.40 -1.72 0.00 0.00 179.24 178.58 3fqc h ILE 82 N 0.00 1.11 0.00 0.35 2.04 -1.46 -2.58 117.51 116.97 3fqc h ILE 82 Ca -0.00 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3fqc h ILE 82 Cb 0.70 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3fqc h ILE 82 CO 0.02 0.16 0.00 -1.22 0.00 0.00 0.00 178.15 177.11 3fqc n TYR 83 N -4.45 0.00 -0.02 1.37 4.01 -1.17 -2.23 117.16 114.67 3fqc n TYR 83 Ca 0.09 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.89 3fqc n TYR 83 Cb 0.12 -0.31 0.13 0.00 -0.31 0.00 0.00 39.34 38.97 3fqc n TYR 83 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3fqc n GLN 84 N -1.31 2.30 -2.94 -0.72 1.13 -0.97 -4.95 117.38 109.92 3fqc n GLN 84 Ca 0.10 -1.83 -0.40 0.00 -1.94 0.00 0.00 57.00 52.93 3fqc n GLN 84 Cb 0.18 -1.25 -0.06 0.00 0.11 0.00 0.00 30.24 29.22 3fqc n GLN 84 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3fqc s LEU 85 N -0.98 4.55 0.26 1.08 1.43 -0.95 -5.06 118.68 119.02 3fqc s LEU 85 Ca 0.21 1.62 -0.10 0.00 -1.03 0.00 0.00 54.13 54.83 3fqc s LEU 85 Cb 0.11 -3.32 -0.07 0.00 0.03 0.00 0.00 46.19 42.94 3fqc s LEU 85 CO 0.15 0.13 0.59 -2.16 0.23 0.00 0.00 176.35 175.29 3fqc s PRO 86 N -0.73 3.80 1.99 1.29 0.04 -1.26 -4.95 135.00 135.18 3fqc s PRO 86 Ca 0.38 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.71 3fqc s PRO 86 Cb -0.23 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.72 3fqc s PRO 86 CO 0.26 0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.96 3fqc n GLY 87 N -0.38 -0.90 3.58 0.56 0.00 -1.26 -4.71 105.19 102.08 3fqc n GLY 87 Ca 0.01 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 3fqc n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fqc s HIS 88 N 0.00 2.88 -0.23 1.61 5.65 -1.26 -3.02 115.29 120.92 3fqc s HIS 88 Ca 0.00 0.55 -0.09 0.00 0.25 0.00 0.00 55.06 55.77 3fqc s HIS 88 Cb 0.00 -4.17 -0.04 0.00 -1.18 0.00 0.00 32.58 27.19 3fqc s HIS 88 CO 0.00 -1.17 0.11 0.08 -0.65 0.00 0.00 174.74 173.12 3fqc s VAL 89 N 4.06 4.96 -0.30 0.89 1.01 0.13 -2.31 120.40 128.84 3fqc s VAL 89 Ca 0.42 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 3fqc s VAL 89 Cb -0.09 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 3fqc s VAL 89 CO 0.28 0.37 0.15 -0.36 0.00 0.00 0.00 175.10 175.55 3fqc s PHE 90 N 1.00 3.18 -0.26 5.22 0.08 0.93 -0.89 117.98 127.24 3fqc s PHE 90 Ca 0.06 -0.45 -0.29 0.00 0.12 0.00 0.00 56.93 56.37 3fqc s PHE 90 Cb -0.14 -2.35 -0.01 0.00 -0.57 0.00 0.00 43.02 39.95 3fqc s PHE 90 CO 0.04 -0.40 1.47 0.42 -0.10 0.00 0.00 175.22 176.64 3fqc s ILE 91 N 1.64 3.90 -0.71 0.64 -1.09 0.23 -0.59 121.20 125.22 3fqc s ILE 91 Ca 0.05 1.01 0.17 0.00 -2.23 0.00 0.00 60.65 59.66 3fqc s ILE 91 Cb -0.17 -3.92 -0.20 0.00 -1.58 0.00 0.00 42.46 36.59 3fqc s ILE 91 CO 0.07 -0.39 0.69 0.33 -1.23 0.00 0.00 174.94 174.41 3fqc n PHE 92 N 8.10 0.00 0.00 3.97 -0.00 0.83 -0.59 117.46 129.76 3fqc n PHE 92 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 3fqc n PHE 92 Cb 0.46 -0.06 0.00 0.00 -0.00 0.00 0.00 39.48 39.88 3fqc n PHE 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3fqc n GLY 93 N 1.42 0.72 0.00 7.13 0.00 -1.25 -4.87 105.19 108.34 3fqc n GLY 93 Ca 0.02 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.79 3fqc n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fqc n GLY 94 N -0.77 1.39 0.31 -0.02 0.00 -1.26 -0.36 105.19 104.47 3fqc n GLY 94 Ca 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 46.02 44.82 3fqc n GLY 94 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3fqc h GLN 95 N 0.00 -0.23 -0.50 1.61 4.15 -1.97 0.86 115.11 119.03 3fqc h GLN 95 Ca 0.00 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.35 3fqc h GLN 95 Cb 0.00 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 3fqc h GLN 95 CO 0.00 -0.15 -0.02 0.00 -1.93 0.00 0.00 178.83 176.73 3fqc h THR 96 N -0.24 1.25 -0.34 2.39 1.03 -1.93 0.95 112.91 116.03 3fqc h THR 96 Ca 0.17 -1.07 -0.17 0.00 -0.01 0.00 0.00 66.41 65.33 3fqc h THR 96 Cb 0.51 0.89 -0.00 0.00 -1.07 0.00 0.00 68.15 68.48 3fqc h THR 96 CO -0.49 0.38 -0.45 0.25 -0.01 0.00 0.00 175.52 175.19 3fqc h LEU 97 N 0.78 0.95 -0.73 0.00 5.85 -1.71 -1.81 115.31 118.65 3fqc h LEU 97 Ca 0.15 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.46 3fqc h LEU 97 Cb 0.50 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3fqc h LEU 97 CO 0.03 1.26 0.43 -0.26 -0.34 0.00 0.00 178.44 179.55 3fqc h PHE 98 N 0.70 0.79 -0.67 1.25 0.04 -0.36 -1.19 116.94 117.52 3fqc h PHE 98 Ca 0.04 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 3fqc h PHE 98 Cb 1.04 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.91 3fqc h PHE 98 CO 0.06 0.40 0.33 0.93 -0.60 0.00 0.00 178.31 179.44 3fqc h GLU 99 N 0.80 0.95 -0.04 1.51 5.08 -0.62 -1.33 114.58 120.93 3fqc h GLU 99 Ca 0.32 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 3fqc h GLU 99 Cb 0.15 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3fqc h GLU 99 CO -0.17 0.74 -0.44 0.93 -1.00 0.00 0.00 179.01 179.08 3fqc h GLU 100 N 0.92 0.09 0.00 2.33 5.08 -1.09 -3.36 114.58 118.55 3fqc h GLU 100 Ca 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3fqc h GLU 100 Cb 0.09 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3fqc h GLU 100 CO -0.03 0.52 -1.27 -1.33 -1.00 0.00 0.00 179.01 175.89 3fqc n MET 101 N -4.01 1.07 -0.30 2.33 2.81 -0.47 -4.61 117.12 113.94 3fqc n MET 101 Ca -0.02 -0.08 0.03 0.00 -1.81 0.00 0.00 57.70 55.83 3fqc n MET 101 Cb 0.48 -1.33 0.23 0.00 -0.71 0.00 0.00 33.22 31.89 3fqc n MET 101 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3fqc h ILE 102 N 0.00 1.09 0.00 2.02 2.10 -1.39 0.81 117.51 122.15 3fqc h ILE 102 Ca 0.00 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.58 3fqc h ILE 102 Cb 0.58 -0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.25 3fqc h ILE 102 CO 0.00 0.19 0.00 0.47 -1.08 0.00 0.00 178.15 177.73 3fqc n ASP 103 N -4.47 0.00 -0.00 2.19 10.43 -1.26 -3.91 116.55 119.52 3fqc n ASP 103 Ca 0.13 -0.94 0.01 0.00 2.57 0.00 0.00 54.79 56.56 3fqc n ASP 103 Cb 0.17 -0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.10 3fqc n ASP 103 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3fqc n LYS 104 N -1.00 1.18 -1.82 -1.24 5.02 0.20 -5.05 118.16 115.44 3fqc n LYS 104 Ca 0.23 -0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 56.17 3fqc n LYS 104 Cb 0.10 -1.06 0.04 0.00 -0.02 0.00 0.00 35.03 34.09 3fqc n LYS 104 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3fqc s VAL 105 N -2.15 3.53 0.07 -0.18 -7.23 -0.69 -4.96 120.40 108.78 3fqc s VAL 105 Ca -0.01 0.68 -0.10 0.00 -1.81 0.00 0.00 61.98 60.74 3fqc s VAL 105 Cb 0.01 -3.22 -0.29 0.00 0.56 0.00 0.00 36.38 33.44 3fqc s VAL 105 CO 0.11 -0.47 1.12 0.44 -0.31 0.00 0.00 175.10 175.99 3fqc h ASP 106 N 0.05 0.67 -5.20 4.85 3.32 -0.83 -3.46 116.42 115.83 3fqc h ASP 106 Ca -0.46 -0.67 -0.08 0.00 0.02 0.00 0.00 57.03 55.84 3fqc h ASP 106 Cb 1.23 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.52 3fqc h ASP 106 CO 0.55 1.50 0.05 1.51 -1.72 0.00 0.00 179.24 181.13 3fqc s ASP 107 N -7.33 0.17 -0.03 6.45 3.84 -1.19 -1.91 116.67 116.66 3fqc s ASP 107 Ca -0.07 -1.09 -0.01 0.00 -0.00 0.00 0.00 52.55 51.39 3fqc s ASP 107 Cb 0.06 0.72 0.03 0.00 -1.38 0.00 0.00 42.92 42.34 3fqc s ASP 107 CO 0.91 -1.39 0.05 -0.04 -0.00 0.00 0.00 175.17 174.70 3fqc s MET 108 N -3.21 -0.00 -0.45 2.11 -1.94 0.00 -1.03 119.30 114.78 3fqc s MET 108 Ca 0.20 0.20 -0.12 0.00 -1.71 0.00 0.00 55.69 54.26 3fqc s MET 108 Cb -0.03 -0.19 0.08 0.00 2.01 0.00 0.00 34.83 36.71 3fqc s MET 108 CO 0.12 -0.14 0.33 0.71 -0.01 0.00 0.00 175.02 176.04 3fqc s TYR 109 N 0.89 3.30 -0.20 -0.03 1.51 0.73 -0.71 117.35 122.84 3fqc s TYR 109 Ca -0.07 -1.32 -0.03 0.00 -1.01 0.00 0.00 57.07 54.63 3fqc s TYR 109 Cb -0.10 -3.13 -0.01 0.00 -0.11 0.00 0.00 41.96 38.60 3fqc s TYR 109 CO -0.03 -0.85 -0.05 0.42 -1.11 0.00 0.00 175.55 173.93 3fqc s ILE 110 N 1.51 3.45 -0.42 2.71 1.01 0.34 -1.72 121.20 128.08 3fqc s ILE 110 Ca 0.04 -0.48 -0.20 0.00 0.00 0.00 0.00 60.65 60.00 3fqc s ILE 110 Cb -0.24 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.70 3fqc s ILE 110 CO 0.04 0.45 0.62 -0.89 0.00 0.00 0.00 174.94 175.15 3fqc s THR 111 N 1.12 4.87 -0.33 2.92 2.01 0.18 0.66 115.64 127.07 3fqc s THR 111 Ca 0.02 0.13 -0.26 0.00 0.31 0.00 0.00 61.69 61.88 3fqc s THR 111 Cb -0.15 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.21 3fqc s THR 111 CO -0.01 -0.53 0.95 -0.69 -0.69 0.00 0.00 174.62 173.65 3fqc s VAL 112 N 2.72 4.62 -0.36 3.82 1.01 0.35 -1.24 120.40 131.32 3fqc s VAL 112 Ca 0.22 1.43 -0.26 0.00 0.00 0.00 0.00 61.98 63.37 3fqc s VAL 112 Cb -0.14 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.94 3fqc s VAL 112 CO 0.18 -0.42 0.93 -0.63 0.00 0.00 0.00 175.10 175.16 3fqc s ILE 113 N 3.38 4.60 -1.01 2.22 -1.09 0.16 -0.91 121.20 128.55 3fqc s ILE 113 Ca 0.39 1.25 -0.07 0.00 -2.23 0.00 0.00 60.65 59.99 3fqc s ILE 113 Cb -0.13 -4.32 -0.07 0.00 -1.58 0.00 0.00 42.46 36.36 3fqc s ILE 113 CO 0.15 -0.50 2.98 -0.62 -1.23 0.00 0.00 174.94 175.73 3fqc n GLU 114 N 6.72 3.32 -3.98 2.79 -0.58 -0.33 -2.52 120.64 126.05 3fqc n GLU 114 Ca 0.07 -2.20 -0.11 0.00 -0.42 0.00 0.00 57.16 54.51 3fqc n GLU 114 Cb 0.48 -2.48 -0.03 0.00 -0.57 0.00 0.00 31.44 28.84 3fqc n GLU 114 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3fqc s GLY 115 N 1.50 0.78 -0.24 0.62 0.00 -1.26 -4.71 107.32 104.01 3fqc s GLY 115 Ca 0.64 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 44.36 3fqc s GLY 115 CO -0.07 -0.64 -0.13 0.54 0.00 0.00 0.00 173.10 172.79 3fqc s LYS 116 N -3.29 2.46 0.22 2.90 1.02 -1.26 -1.58 119.74 120.20 3fqc s LYS 116 Ca 0.23 -1.20 0.09 0.00 0.02 0.00 0.00 55.97 55.11 3fqc s LYS 116 Cb -0.02 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.43 3fqc s LYS 116 CO 0.13 -0.47 -0.05 -0.06 -0.92 0.00 0.00 175.35 173.98 3fqc s PHE 117 N 1.16 2.67 0.04 3.18 0.08 -1.26 -5.09 117.98 118.76 3fqc s PHE 117 Ca -0.05 -0.22 -0.30 0.00 0.12 0.00 0.00 56.93 56.48 3fqc s PHE 117 Cb -0.18 -1.25 -0.06 0.00 -0.57 0.00 0.00 43.02 40.96 3fqc s PHE 117 CO -0.07 0.56 1.27 0.50 -0.10 0.00 0.00 175.22 177.38 3fqc s ARG 118 N -3.20 4.37 0.17 0.44 3.52 -1.26 -4.95 118.95 118.05 3fqc s ARG 118 Ca 0.28 1.84 -0.07 0.00 -0.13 0.00 0.00 55.73 57.66 3fqc s ARG 118 Cb -0.08 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 3fqc s ARG 118 CO 0.17 -0.37 0.24 0.20 -0.81 0.00 0.00 175.30 174.73 3fqc s GLY 119 N 1.28 0.74 0.00 8.12 0.00 -1.26 -4.66 107.32 111.54 3fqc s GLY 119 Ca 0.60 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3fqc s GLY 119 CO 0.28 -1.00 0.17 2.09 0.00 0.00 0.00 173.10 174.63 3fqc n ASP 120 N -0.22 0.33 -4.12 1.64 3.85 0.42 -4.95 116.55 113.50 3fqc n ASP 120 Ca -0.05 -0.79 -0.17 0.00 -0.71 0.00 0.00 54.79 53.07 3fqc n ASP 120 Cb 0.63 0.12 -0.12 0.00 -1.35 0.00 0.00 41.12 40.41 3fqc n ASP 120 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3fqc s THR 121 N -0.12 0.91 0.03 2.12 -4.23 -0.96 -5.01 115.64 108.37 3fqc s THR 121 Ca 0.00 -1.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.43 3fqc s THR 121 Cb 0.00 -0.88 -0.02 0.00 1.34 0.00 0.00 72.50 72.94 3fqc s THR 121 CO 0.00 -0.19 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.48 3fqc s PHE 122 N -1.12 0.45 0.14 3.99 0.08 -1.26 -0.69 117.98 119.57 3fqc s PHE 122 Ca -0.03 -0.43 -0.24 0.00 0.12 0.00 0.00 56.93 56.34 3fqc s PHE 122 Cb -0.09 -0.28 -0.08 0.00 -0.57 0.00 0.00 43.02 42.00 3fqc s PHE 122 CO 0.01 -0.11 0.75 0.12 -0.10 0.00 0.00 175.22 175.89 3fqc s PHE 123 N -1.17 3.88 0.61 0.36 5.36 0.68 -4.56 117.98 123.14 3fqc s PHE 123 Ca -0.10 1.57 -0.19 0.00 -0.96 0.00 0.00 56.93 57.25 3fqc s PHE 123 Cb -0.08 -2.73 -0.03 0.00 -0.34 0.00 0.00 43.02 39.84 3fqc s PHE 123 CO -0.00 0.51 1.32 -1.25 -1.46 0.00 0.00 175.22 174.34 3fqc s PRO 124 N -1.06 2.79 0.51 10.12 0.04 -1.26 -4.88 135.00 141.26 3fqc s PRO 124 Ca 0.35 2.13 -0.22 0.00 0.04 0.00 0.00 61.00 63.30 3fqc s PRO 124 Cb -0.22 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 3fqc s PRO 124 CO 0.25 -1.43 1.15 -2.30 0.04 0.00 0.00 177.00 174.71 3fqc n PRO 125 N -1.56 1.46 -3.84 0.56 -0.02 -1.26 -5.04 135.00 125.31 3fqc n PRO 125 Ca 0.14 0.53 -0.11 0.00 -2.02 0.00 0.00 63.50 62.04 3fqc n PRO 125 Cb 0.47 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 3fqc n PRO 125 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3fqc s TYR 126 N -1.33 0.01 0.06 6.00 -0.85 -1.26 -5.15 117.35 114.84 3fqc s TYR 126 Ca 0.68 -0.16 0.07 0.00 -0.52 0.00 0.00 57.07 57.15 3fqc s TYR 126 Cb -0.47 -0.01 -0.03 0.00 0.38 0.00 0.00 41.96 41.83 3fqc s TYR 126 CO 0.52 -0.40 -0.16 -0.08 -1.52 0.00 0.00 175.55 173.91 3fqc s THR 127 N -2.14 2.93 -2.00 -3.49 -1.32 -1.26 -4.99 115.64 103.36 3fqc s THR 127 Ca -0.08 -1.24 0.18 0.00 -1.21 0.00 0.00 61.69 59.34 3fqc s THR 127 Cb -0.03 -2.28 0.51 0.00 -1.51 0.00 0.00 72.50 69.20 3fqc s THR 127 CO -0.02 0.26 1.52 0.49 -2.21 0.00 0.00 174.62 174.67 3fqc n PHE 128 N 1.29 0.00 0.02 9.09 3.72 -1.26 -2.08 117.46 128.23 3fqc n PHE 128 Ca -0.16 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.15 3fqc n PHE 128 Cb 0.52 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.12 3fqc n PHE 128 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3fqc h GLU 129 N 0.00 0.52 -0.01 -1.08 4.57 -2.03 -3.27 114.58 113.28 3fqc h GLU 129 Ca 0.00 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 3fqc h GLU 129 Cb 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 3fqc h GLU 129 CO 0.00 0.96 -0.51 -0.25 -1.18 0.00 0.00 179.01 178.03 3fqc n ASP 130 N -3.94 1.36 -3.93 1.04 10.43 -0.89 -4.92 116.55 115.71 3fqc n ASP 130 Ca -0.03 -1.09 -0.23 0.00 2.57 0.00 0.00 54.79 56.01 3fqc n ASP 130 Cb 0.62 0.45 -0.17 0.00 1.84 0.00 0.00 41.12 43.86 3fqc n ASP 130 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3fqc s TRP 131 N -2.64 1.09 0.02 1.24 0.52 -1.21 -2.03 118.94 115.93 3fqc s TRP 131 Ca 0.17 -0.39 -0.24 0.00 0.02 0.00 0.00 56.10 55.67 3fqc s TRP 131 Cb 0.18 -0.90 -0.05 0.00 -1.15 0.00 0.00 33.47 31.55 3fqc s TRP 131 CO 0.63 -0.28 0.71 -2.00 0.02 0.00 0.00 176.95 176.03 3fqc s GLU 132 N 1.03 4.44 -0.86 4.98 2.56 0.11 -4.68 118.70 126.27 3fqc s GLU 132 Ca -0.09 0.96 -0.25 0.00 0.00 0.00 0.00 54.97 55.59 3fqc s GLU 132 Cb -0.14 -3.36 0.04 0.00 2.00 0.00 0.00 34.13 32.67 3fqc s GLU 132 CO -0.00 0.29 1.33 0.08 -0.56 0.00 0.00 175.26 176.40 3fqc s VAL 133 N -0.04 3.88 0.12 3.70 1.01 -1.26 -0.53 120.40 127.28 3fqc s VAL 133 Ca 0.36 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 3fqc s VAL 133 Cb -0.20 -4.96 -0.02 0.00 0.00 0.00 0.00 36.38 31.20 3fqc s VAL 133 CO 0.21 -1.86 1.62 0.00 0.00 0.00 0.00 175.10 175.07 3fqc h ALA 134 N 9.86 0.50 -2.41 5.51 0.00 -1.30 -3.46 119.26 127.96 3fqc h ALA 134 Ca -0.06 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3fqc h ALA 134 Cb 1.03 -0.14 -0.19 0.00 0.00 0.00 0.00 17.79 18.49 3fqc h ALA 134 CO 1.33 0.18 -0.14 -1.54 0.00 0.00 0.00 179.25 179.08 3fqc s SER 135 N -5.98 -0.30 -0.14 0.00 1.04 -1.10 -5.00 113.70 102.21 3fqc s SER 135 Ca -0.13 0.18 -0.04 0.00 0.48 0.00 0.00 55.95 56.43 3fqc s SER 135 Cb 0.10 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.66 3fqc s SER 135 CO 0.76 -0.54 0.10 -0.55 0.98 0.00 0.00 173.24 174.00 3fqc s SER 136 N -1.50 1.87 -0.12 7.02 0.15 -1.26 -1.39 113.70 118.46 3fqc s SER 136 Ca -0.11 -0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.21 3fqc s SER 136 Cb -0.03 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.18 3fqc s SER 136 CO 0.03 -0.32 -0.18 -0.69 1.20 0.00 0.00 173.24 173.29 3fqc s VAL 137 N 2.18 1.72 0.04 4.45 1.01 -0.16 -4.97 120.40 124.66 3fqc s VAL 137 Ca 0.03 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 3fqc s VAL 137 Cb -0.15 -1.55 -0.06 0.00 0.00 0.00 0.00 36.38 34.62 3fqc s VAL 137 CO -0.08 0.48 1.37 -0.70 0.00 0.00 0.00 175.10 176.18 3fqc s GLU 138 N 0.94 4.31 0.53 2.72 2.12 -1.26 -0.08 118.70 127.98 3fqc s GLU 138 Ca -0.06 1.97 -0.20 0.00 0.36 0.00 0.00 54.97 57.03 3fqc s GLU 138 Cb -0.15 -3.46 -0.06 0.00 0.26 0.00 0.00 34.13 30.72 3fqc s GLU 138 CO -0.02 -0.50 1.14 0.20 -0.54 0.00 0.00 175.26 175.54 3fqc s GLY 139 N 1.58 2.67 -0.23 -1.50 0.00 0.58 -4.91 107.32 105.51 3fqc s GLY 139 Ca 0.63 0.85 -0.18 0.00 0.00 0.00 0.00 44.72 46.02 3fqc s GLY 139 CO 0.28 1.23 0.52 0.54 0.00 0.00 0.00 173.10 175.67 3fqc s LYS 140 N -3.16 4.13 -0.08 2.90 -0.14 -1.26 -4.74 119.74 117.40 3fqc s LYS 140 Ca 0.71 0.38 -0.24 0.00 -1.36 0.00 0.00 55.97 55.46 3fqc s LYS 140 Cb -0.25 -3.60 -0.03 0.00 -1.68 0.00 0.00 37.83 32.26 3fqc s LYS 140 CO 0.29 -0.25 0.73 -0.51 -0.76 0.00 0.00 175.35 174.85 3fqc s LEU 141 N 1.96 4.30 0.00 3.17 1.43 -1.26 -4.87 118.68 123.41 3fqc s LEU 141 Ca 0.23 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 3fqc s LEU 141 Cb -0.15 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 42.94 3fqc s LEU 141 CO 0.09 -0.16 0.00 -0.90 0.23 0.00 0.00 176.35 175.62 3fqc n ASP 142 N 3.96 0.14 0.11 2.29 3.85 -0.86 -4.99 116.55 121.05 3fqc n ASP 142 Ca -0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 54.79 54.05 3fqc n ASP 142 Cb 0.51 0.00 0.06 0.00 -1.35 0.00 0.00 41.12 40.34 3fqc n ASP 142 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3fqc h GLU 143 N 0.00 0.00 0.00 0.11 5.08 -2.02 -3.23 114.58 114.52 3fqc h GLU 143 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fqc h GLU 143 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fqc h GLU 143 CO 0.00 0.74 -0.73 1.63 -1.00 0.00 0.00 179.01 179.65 3fqc n LYS 144 N -3.55 0.15 -3.80 2.33 4.76 -1.26 -4.72 118.16 112.07 3fqc n LYS 144 Ca -0.00 0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.15 3fqc n LYS 144 Cb 0.75 -1.57 -0.15 0.00 -1.84 0.00 0.00 35.03 32.22 3fqc n LYS 144 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3fqc s ASN 145 N -3.54 4.11 -0.01 4.39 0.01 -1.22 -4.50 114.94 114.17 3fqc s ASN 145 Ca 0.07 -2.02 0.11 0.00 -0.71 0.00 0.00 52.86 50.31 3fqc s ASN 145 Cb 0.16 -1.09 -0.15 0.00 0.41 0.00 0.00 41.25 40.57 3fqc s ASN 145 CO 0.75 -0.37 0.27 0.35 -1.51 0.00 0.00 177.10 176.60 3fqc n THR 146 N 4.36 0.00 -3.36 1.60 -2.24 -1.26 -2.03 114.28 111.35 3fqc n THR 146 Ca 0.02 -0.25 -0.38 0.00 -2.27 0.00 0.00 64.05 61.18 3fqc n THR 146 Cb 0.40 0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 68.97 3fqc n THR 146 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3fqc s ILE 147 N -2.58 5.21 0.57 2.28 1.10 -1.26 -5.04 121.20 121.46 3fqc s ILE 147 Ca -0.02 0.83 -0.20 0.00 -0.51 0.00 0.00 60.65 60.74 3fqc s ILE 147 Cb 0.07 -3.77 -0.05 0.00 0.15 0.00 0.00 42.46 38.86 3fqc s ILE 147 CO 0.44 0.31 1.19 -2.65 -2.11 0.00 0.00 174.94 172.12 3fqc n PRO 148 N 3.89 1.33 -3.54 3.50 -0.02 -1.26 -4.89 135.00 134.01 3fqc n PRO 148 Ca -0.08 0.50 -0.18 0.00 -2.02 0.00 0.00 63.50 61.72 3fqc n PRO 148 Cb 0.51 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 3fqc n PRO 148 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3fqc s HIS 149 N -1.37 -0.62 -0.08 6.00 -3.43 -1.26 -1.18 115.29 113.34 3fqc s HIS 149 Ca 0.74 1.05 0.01 0.00 -0.80 0.00 0.00 55.06 56.05 3fqc s HIS 149 Cb -0.43 0.39 0.02 0.00 -1.43 0.00 0.00 32.58 31.13 3fqc s HIS 149 CO 0.48 -0.60 -0.10 0.99 -2.00 0.00 0.00 174.74 173.51 3fqc s THR 150 N -1.26 1.04 -0.43 -5.38 2.01 -0.09 -0.31 115.64 111.22 3fqc s THR 150 Ca -0.11 -0.37 -0.27 0.00 0.31 0.00 0.00 61.69 61.26 3fqc s THR 150 Cb -0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 3fqc s THR 150 CO 0.09 0.35 0.98 -0.36 -0.69 0.00 0.00 174.62 174.99 3fqc s PHE 151 N 1.12 2.96 -0.16 4.92 0.08 0.89 -0.50 117.98 127.30 3fqc s PHE 151 Ca -0.06 0.63 -0.06 0.00 0.12 0.00 0.00 56.93 57.56 3fqc s PHE 151 Cb -0.14 -3.96 -0.04 0.00 -0.57 0.00 0.00 43.02 38.31 3fqc s PHE 151 CO -0.02 -1.03 0.03 -0.51 -0.10 0.00 0.00 175.22 173.59 3fqc s LEU 152 N 3.82 3.66 -0.27 -0.37 1.43 0.21 -0.99 118.68 126.18 3fqc s LEU 152 Ca 0.40 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.53 3fqc s LEU 152 Cb -0.10 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.25 3fqc s LEU 152 CO 0.25 0.21 -0.02 -2.28 0.23 0.00 0.00 176.35 174.73 3fqc s HIS 153 N 0.14 3.13 -0.10 0.29 5.65 -0.49 -0.51 115.29 123.41 3fqc s HIS 153 Ca 0.03 -1.57 -0.01 0.00 0.25 0.00 0.00 55.06 53.76 3fqc s HIS 153 Cb -0.13 -2.10 -0.03 0.00 -1.18 0.00 0.00 32.58 29.15 3fqc s HIS 153 CO 0.01 -0.73 -0.07 -0.51 -0.65 0.00 0.00 174.74 172.79 3fqc s LEU 154 N 1.33 3.13 -0.09 8.88 1.02 0.11 -0.75 118.68 132.30 3fqc s LEU 154 Ca -0.01 -0.10 0.04 0.00 0.02 0.00 0.00 54.13 54.08 3fqc s LEU 154 Cb -0.18 -1.70 0.00 0.00 0.02 0.00 0.00 46.19 44.33 3fqc s LEU 154 CO -0.03 0.28 -0.21 -0.63 0.02 0.00 0.00 176.35 175.78 3fqc s ILE 155 N -0.30 1.85 0.14 -0.59 1.01 0.31 -0.82 121.20 122.80 3fqc s ILE 155 Ca 0.04 -0.90 -0.31 0.00 0.00 0.00 0.00 60.65 59.48 3fqc s ILE 155 Cb -0.13 -1.62 -0.10 0.00 0.01 0.00 0.00 42.46 40.62 3fqc s ILE 155 CO 0.02 0.51 1.79 -0.60 0.00 0.00 0.00 174.94 176.67 3fqc s ARG 156 N 0.44 4.14 0.00 2.79 3.52 -0.80 0.05 118.95 129.09 3fqc s ARG 156 Ca -0.17 2.57 0.13 0.00 -0.13 0.00 0.00 55.73 58.13 3fqc s ARG 156 Cb -0.17 -3.49 0.78 0.00 -1.56 0.00 0.00 34.95 30.51 3fqc s ARG 156 CO 0.07 -0.81 1.21 1.63 -0.81 0.00 0.00 175.30 176.59