#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fqy s GLU 2 N 0.00 3.76 -0.22 0.00 2.02 -1.26 -4.95 118.70 118.05 3fqy s GLU 2 Ca 0.00 1.19 0.15 0.00 0.02 0.00 0.00 54.97 56.33 3fqy s GLU 2 Cb 0.00 -2.10 0.46 0.00 0.10 0.00 0.00 34.13 32.59 3fqy s GLU 2 CO 0.00 -0.44 1.18 0.00 0.02 0.00 0.00 175.26 176.01 3fqy s SER 4 N -3.30 -0.26 -0.05 0.00 1.04 -1.26 -1.26 113.70 108.60 3fqy s SER 4 Ca 0.39 -0.42 -0.10 0.00 0.48 0.00 0.00 55.95 56.31 3fqy s SER 4 Cb 0.38 0.55 0.02 0.00 0.10 0.00 0.00 66.02 67.06 3fqy s SER 4 CO -0.04 -0.98 0.24 0.54 0.98 0.00 0.00 173.24 173.97 3fqy s VAL 5 N -3.85 0.04 -0.22 5.02 0.11 -0.64 -4.94 120.40 115.91 3fqy s VAL 5 Ca 0.07 -0.31 -0.08 0.00 -2.93 0.00 0.00 61.98 58.73 3fqy s VAL 5 Cb -0.00 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 3fqy s VAL 5 CO -0.06 -0.17 0.09 -1.81 -3.33 0.00 0.00 175.10 169.82 3fqy s ASP 6 N -0.66 5.56 -0.03 3.54 1.01 -1.26 -0.78 116.67 124.04 3fqy s ASP 6 Ca -0.08 -0.02 0.05 0.00 0.71 0.00 0.00 52.55 53.22 3fqy s ASP 6 Cb -0.04 -1.98 -0.01 0.00 1.01 0.00 0.00 42.92 41.90 3fqy s ASP 6 CO 0.02 0.08 -0.18 -0.63 0.21 0.00 0.00 175.17 174.66 3fqy s ILE 7 N 0.97 1.50 0.00 0.77 -1.09 0.40 -4.95 121.20 118.79 3fqy s ILE 7 Ca 0.05 -0.78 0.08 0.00 -2.23 0.00 0.00 60.65 57.77 3fqy s ILE 7 Cb -0.14 -1.27 -0.02 0.00 -1.58 0.00 0.00 42.46 39.45 3fqy s ILE 7 CO 0.03 0.43 -0.24 -1.10 -1.23 0.00 0.00 174.94 172.82 3fqy s GLN 8 N -0.16 1.87 -0.10 2.79 -0.21 -1.26 -0.95 119.66 121.64 3fqy s GLN 8 Ca 0.01 -0.92 0.04 0.00 0.02 0.00 0.00 55.36 54.50 3fqy s GLN 8 Cb -0.10 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.04 3fqy s GLN 8 CO 0.01 0.50 -0.22 0.20 -2.12 0.00 0.00 175.29 173.67 3fqy s GLY 9 N -0.77 1.23 0.30 3.09 0.00 -0.49 -1.41 107.32 109.27 3fqy s GLY 9 Ca 0.10 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.98 3fqy s GLY 9 CO -0.00 -0.22 0.28 1.16 0.00 0.00 0.00 173.10 174.32 3fqy n ASN 10 N 3.62 1.72 0.00 1.64 0.23 -0.39 -3.42 115.26 118.66 3fqy n ASN 10 Ca -0.20 -1.96 0.08 0.00 -0.53 0.00 0.00 54.58 51.96 3fqy n ASN 10 Cb 0.53 -0.08 0.33 0.00 -2.08 0.00 0.00 39.78 38.48 3fqy n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3fqy n ASP 11 N -2.11 0.01 -0.77 0.53 8.00 -1.22 -2.37 116.55 118.62 3fqy n ASP 11 Ca 0.02 0.50 0.08 0.00 0.71 0.00 0.00 54.79 56.10 3fqy n ASP 11 Cb 0.33 -0.51 0.24 0.00 -0.02 0.00 0.00 41.12 41.17 3fqy n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fqy n GLN 12 N -1.51 1.98 -3.32 -1.24 3.00 -1.26 -4.92 117.38 110.10 3fqy n GLN 12 Ca 0.04 -1.51 -0.22 0.00 -0.01 0.00 0.00 57.00 55.29 3fqy n GLN 12 Cb 0.18 -1.37 0.06 0.00 0.00 0.00 0.00 30.24 29.11 3fqy n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 3fqy n MET 13 N 0.72 -6.48 -5.03 -1.09 1.56 -1.00 -5.01 117.12 100.79 3fqy n MET 13 Ca 0.15 0.83 -0.32 0.00 -0.27 0.00 0.00 57.70 58.09 3fqy n MET 13 Cb 0.38 -5.71 -0.14 0.00 2.15 0.00 0.00 33.22 29.89 3fqy n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3fqy s GLN 14 N -6.02 2.43 0.35 2.12 -0.21 -1.26 -4.38 119.66 112.70 3fqy s GLN 14 Ca 0.45 -0.78 -0.10 0.00 0.02 0.00 0.00 55.36 54.96 3fqy s GLN 14 Cb -0.20 -2.28 -0.07 0.00 1.00 0.00 0.00 33.01 31.47 3fqy s GLN 14 CO 0.56 0.57 0.70 -0.06 -2.12 0.00 0.00 175.29 174.94 3fqy s PHE 15 N -0.60 3.45 -0.84 0.91 0.08 -1.26 -1.27 117.98 118.46 3fqy s PHE 15 Ca 0.09 0.97 0.18 0.00 0.12 0.00 0.00 56.93 58.30 3fqy s PHE 15 Cb -0.11 -2.37 0.77 0.00 -0.57 0.00 0.00 43.02 40.74 3fqy s PHE 15 CO 0.01 0.02 1.58 0.27 -0.10 0.00 0.00 175.22 176.99 3fqy n ASN 16 N -0.97 0.22 -3.65 1.36 6.94 -0.50 -4.82 115.26 113.84 3fqy n ASN 16 Ca 0.02 0.55 -0.14 0.00 -0.02 0.00 0.00 54.58 54.99 3fqy n ASN 16 Cb 0.54 -0.60 -0.07 0.00 -2.36 0.00 0.00 39.78 37.29 3fqy n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3fqy s THR 17 N -3.10 0.04 -0.15 5.53 -1.32 -1.26 -5.03 115.64 110.35 3fqy s THR 17 Ca 0.07 -0.35 0.18 0.00 -1.21 0.00 0.00 61.69 60.37 3fqy s THR 17 Cb 0.10 -0.88 0.36 0.00 -1.51 0.00 0.00 72.50 70.58 3fqy s THR 17 CO 0.33 -0.19 1.23 -0.46 -2.21 0.00 0.00 174.62 173.32 3fqy n ASN 18 N 0.76 2.68 -3.67 8.08 0.23 -1.26 -4.82 115.26 117.25 3fqy n ASN 18 Ca -0.19 -3.15 -0.08 0.00 -0.53 0.00 0.00 54.58 50.62 3fqy n ASN 18 Cb 0.58 -0.47 -0.09 0.00 -2.08 0.00 0.00 39.78 37.72 3fqy n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fqy s ALA 19 N -2.91 -1.44 -0.02 -2.53 0.00 -1.26 -1.78 121.76 111.83 3fqy s ALA 19 Ca 0.35 1.93 0.07 0.00 0.00 0.00 0.00 51.96 54.31 3fqy s ALA 19 Cb 0.31 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 3fqy s ALA 19 CO 0.04 -0.38 -0.22 0.42 0.00 0.00 0.00 175.76 175.62 3fqy s ILE 20 N 1.66 1.71 -0.04 0.00 1.01 -0.38 -4.96 121.20 120.20 3fqy s ILE 20 Ca -0.09 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 59.70 3fqy s ILE 20 Cb -0.08 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 3fqy s ILE 20 CO -0.16 0.48 -0.24 0.42 0.00 0.00 0.00 174.94 175.44 3fqy s THR 21 N -0.51 1.93 -0.21 2.92 -4.23 -1.26 -0.91 115.64 113.37 3fqy s THR 21 Ca 0.08 -1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 59.55 3fqy s THR 21 Cb -0.08 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.14 3fqy s THR 21 CO -0.01 0.54 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.84 3fqy s VAL 22 N -0.36 3.01 0.09 2.29 1.01 0.28 -4.93 120.40 121.80 3fqy s VAL 22 Ca 0.03 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 3fqy s VAL 22 Cb -0.11 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 3fqy s VAL 22 CO 0.01 0.45 1.06 -0.62 0.00 0.00 0.00 175.10 175.99 3fqy s ASP 23 N 1.42 7.31 0.30 3.32 -1.08 -1.26 -1.02 116.67 125.66 3fqy s ASP 23 Ca 0.05 1.89 0.04 0.00 -0.52 0.00 0.00 52.55 54.02 3fqy s ASP 23 Cb -0.14 -2.59 0.78 0.00 -1.46 0.00 0.00 42.92 39.52 3fqy s ASP 23 CO -0.06 -0.24 1.64 0.11 0.52 0.00 0.00 175.17 177.14 3fqy h LYS 24 N 6.00 0.20 0.00 4.34 1.57 -1.28 -0.60 116.57 126.79 3fqy h LYS 24 Ca -0.43 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3fqy h LYS 24 Cb 1.21 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3fqy h LYS 24 CO 0.75 0.13 0.00 -1.13 -0.57 0.00 0.00 179.45 178.63 3fqy n SER 25 N -5.22 0.00 -4.70 0.86 3.41 -1.26 -4.47 113.62 102.23 3fqy n SER 25 Ca 0.23 0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 58.66 3fqy n SER 25 Cb 0.75 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 3fqy n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fqy h LYS 27 N 7.18 0.19 -5.66 0.00 1.79 -1.88 -3.43 116.57 114.76 3fqy h LYS 27 Ca -0.40 -0.32 -0.47 0.00 -2.18 0.00 0.00 60.65 57.28 3fqy h LYS 27 Cb 1.20 0.12 -0.15 0.00 -1.58 0.00 0.00 32.23 31.82 3fqy h LYS 27 CO 0.86 1.06 -0.74 -0.65 -1.08 0.00 0.00 179.45 178.91 3fqy s GLN 28 N -2.64 1.36 -0.00 3.15 -0.21 -1.26 -0.81 119.66 119.24 3fqy s GLN 28 Ca -0.05 -1.59 0.00 0.00 0.02 0.00 0.00 55.36 53.74 3fqy s GLN 28 Cb 0.08 -1.21 -0.00 0.00 1.00 0.00 0.00 33.01 32.88 3fqy s GLN 28 CO 0.85 0.21 -0.02 0.12 -2.12 0.00 0.00 175.29 174.34 3fqy s PHE 29 N -2.83 0.15 -0.06 0.91 5.36 -0.42 -4.85 117.98 116.24 3fqy s PHE 29 Ca 0.22 -0.02 0.06 0.00 -0.96 0.00 0.00 56.93 56.23 3fqy s PHE 29 Cb -0.02 -0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 42.55 3fqy s PHE 29 CO 0.08 -0.01 -0.24 0.99 -1.46 0.00 0.00 175.22 174.58 3fqy s THR 30 N 0.00 1.98 -0.18 0.12 2.01 -0.39 -1.42 115.64 117.76 3fqy s THR 30 Ca 0.00 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 60.95 3fqy s THR 30 Cb -0.01 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.80 3fqy s THR 30 CO -0.00 0.55 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.73 3fqy s VAL 31 N -0.12 3.51 -0.37 3.82 1.01 0.15 -1.63 120.40 126.77 3fqy s VAL 31 Ca -0.04 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 3fqy s VAL 31 Cb -0.14 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.73 3fqy s VAL 31 CO 0.04 0.47 0.19 0.20 0.00 0.00 0.00 175.10 176.00 3fqy s ASN 32 N 0.81 5.65 -0.14 3.32 0.02 0.04 -1.13 114.94 123.50 3fqy s ASN 32 Ca -0.02 -1.08 -0.06 0.00 -1.02 0.00 0.00 52.86 50.68 3fqy s ASN 32 Cb -0.15 -1.99 -0.04 0.00 0.02 0.00 0.00 41.25 39.09 3fqy s ASN 32 CO 0.02 -0.39 0.06 -0.22 0.02 0.00 0.00 177.10 176.58 3fqy s LEU 33 N 1.51 3.87 0.23 0.60 2.96 0.49 -0.46 118.68 127.88 3fqy s LEU 33 Ca 0.01 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 3fqy s LEU 33 Cb -0.20 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 3fqy s LEU 33 CO 0.06 0.28 0.03 -0.94 -1.32 0.00 0.00 176.35 174.46 3fqy s SER 34 N -0.27 1.45 -0.45 3.68 1.04 -0.13 -1.02 113.70 118.00 3fqy s SER 34 Ca 0.08 -1.27 0.02 0.00 0.48 0.00 0.00 55.95 55.27 3fqy s SER 34 Cb -0.12 0.09 0.15 0.00 0.10 0.00 0.00 66.02 66.24 3fqy s SER 34 CO 0.02 -0.61 0.28 -2.28 0.98 0.00 0.00 173.24 171.63 3fqy s HIS 35 N -3.60 1.79 0.57 5.02 2.46 -1.19 -1.40 115.29 118.94 3fqy s HIS 35 Ca 0.31 -2.38 -0.21 0.00 0.47 0.00 0.00 55.06 53.25 3fqy s HIS 35 Cb 0.07 -1.64 -0.04 0.00 -0.13 0.00 0.00 32.58 30.84 3fqy s HIS 35 CO 0.09 -0.77 1.30 -1.25 -2.47 0.00 0.00 174.74 171.64 3fqy s PRO 36 N 0.21 3.05 0.00 2.88 0.04 -1.22 -1.40 135.00 138.56 3fqy s PRO 36 Ca 0.21 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.35 3fqy s PRO 36 Cb -0.16 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.24 3fqy s PRO 36 CO -0.05 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.18 3fqy n GLY 37 N 0.70 0.66 0.00 0.56 0.00 -1.26 -3.46 105.19 102.39 3fqy n GLY 37 Ca 0.12 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.04 3fqy n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fqy n ASN 38 N 1.62 0.19 -4.76 1.61 4.13 -1.26 -4.46 115.26 112.34 3fqy n ASN 38 Ca 0.00 -0.21 -0.40 0.00 1.68 0.00 0.00 54.58 55.65 3fqy n ASN 38 Cb 0.00 0.45 -0.06 0.00 -1.54 0.00 0.00 39.78 38.64 3fqy n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3fqy s LEU 39 N -0.95 4.59 0.79 3.41 1.43 -1.26 -4.83 118.68 121.87 3fqy s LEU 39 Ca 0.00 1.77 -0.12 0.00 -1.03 0.00 0.00 54.13 54.76 3fqy s LEU 39 Cb 0.00 -3.46 0.07 0.00 0.03 0.00 0.00 46.19 42.83 3fqy s LEU 39 CO 0.00 0.13 1.14 -2.16 0.23 0.00 0.00 176.35 175.69 3fqy s PRO 40 N -0.87 2.11 0.35 1.29 0.04 -1.26 -1.24 135.00 135.41 3fqy s PRO 40 Ca 0.40 0.29 0.08 0.00 0.04 0.00 0.00 61.00 61.81 3fqy s PRO 40 Cb -0.24 -1.95 0.78 0.00 0.04 0.00 0.00 34.50 33.13 3fqy s PRO 40 CO 0.29 -1.53 1.87 -0.22 0.04 0.00 0.00 177.00 177.44 3fqy h LYS 41 N -1.01 0.71 0.00 4.56 3.64 -1.85 -1.48 116.57 121.14 3fqy h LYS 41 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3fqy h LYS 41 Cb 1.30 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3fqy h LYS 41 CO 0.64 0.47 0.00 0.27 -2.27 0.00 0.00 179.45 178.56 3fqy n ASN 42 N -4.57 0.37 -0.01 4.20 6.94 -1.26 -1.05 115.26 119.88 3fqy n ASN 42 Ca 0.17 0.56 -0.01 0.00 -0.02 0.00 0.00 54.58 55.29 3fqy n ASN 42 Cb 0.45 -0.65 -0.03 0.00 -2.36 0.00 0.00 39.78 37.19 3fqy n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3fqy n VAL 43 N -1.88 0.18 -2.70 3.53 0.31 -0.89 -4.82 118.33 112.06 3fqy n VAL 43 Ca 0.04 -0.14 -0.01 0.00 -0.01 0.00 0.00 64.34 64.23 3fqy n VAL 43 Cb 0.28 -0.46 0.06 0.00 -0.91 0.00 0.00 33.84 32.81 3fqy n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3fqy n MET 44 N -1.98 1.31 -2.14 5.55 0.00 -0.61 -5.02 117.12 114.24 3fqy n MET 44 Ca -0.04 -2.52 -0.41 0.00 0.00 0.00 0.00 57.70 54.73 3fqy n MET 44 Cb 0.45 -0.70 -0.02 0.00 0.00 0.00 0.00 33.22 32.95 3fqy n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3fqy s GLY 45 N -2.65 2.93 0.07 -5.12 0.00 -0.21 -4.73 107.32 97.61 3fqy s GLY 45 Ca 0.21 1.23 0.06 0.00 0.00 0.00 0.00 44.72 46.22 3fqy s GLY 45 CO -0.08 1.91 -0.15 0.30 0.00 0.00 0.00 173.10 175.08 3fqy s HIS 46 N -1.00 1.32 0.21 1.90 3.76 0.19 -4.65 115.29 117.02 3fqy s HIS 46 Ca 0.50 -0.44 -0.01 0.00 -0.15 0.00 0.00 55.06 54.96 3fqy s HIS 46 Cb -0.39 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.52 3fqy s HIS 46 CO 0.51 0.08 0.13 0.54 -0.85 0.00 0.00 174.74 175.15 3fqy s ASN 47 N -1.66 0.23 -0.17 1.40 2.20 -1.26 -0.01 114.94 115.67 3fqy s ASN 47 Ca 0.00 -1.40 0.01 0.00 -0.94 0.00 0.00 52.86 50.53 3fqy s ASN 47 Cb -0.10 0.38 0.02 0.00 -2.00 0.00 0.00 41.25 39.55 3fqy s ASN 47 CO 0.02 -0.84 -0.18 0.86 -2.94 0.00 0.00 177.10 174.02 3fqy s TRP 48 N -4.12 2.54 -0.03 1.54 -0.00 -1.26 -3.92 118.94 113.69 3fqy s TRP 48 Ca 0.39 -1.49 0.03 0.00 -0.00 0.00 0.00 56.10 55.04 3fqy s TRP 48 Cb 0.07 -1.79 -0.00 0.00 -0.00 0.00 0.00 33.47 31.75 3fqy s TRP 48 CO 0.13 -0.76 -0.13 0.08 -0.00 0.00 0.00 176.95 176.27 3fqy s VAL 49 N 1.37 1.08 -0.16 5.86 1.01 0.43 -1.17 120.40 128.82 3fqy s VAL 49 Ca 0.05 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 3fqy s VAL 49 Cb -0.13 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 3fqy s VAL 49 CO -0.12 0.32 -0.13 -0.22 0.00 0.00 0.00 175.10 174.95 3fqy s LEU 50 N 0.07 2.62 0.32 3.92 2.96 -0.55 -0.60 118.68 127.41 3fqy s LEU 50 Ca -0.02 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3fqy s LEU 50 Cb -0.09 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 3fqy s LEU 50 CO 0.01 0.10 0.37 -0.94 -1.32 0.00 0.00 176.35 174.57 3fqy s SER 51 N 0.76 1.09 0.80 3.68 1.04 -0.84 -0.26 113.70 119.97 3fqy s SER 51 Ca -0.05 -1.56 -0.14 0.00 0.48 0.00 0.00 55.95 54.68 3fqy s SER 51 Cb -0.15 0.59 0.08 0.00 0.10 0.00 0.00 66.02 66.64 3fqy s SER 51 CO 0.01 -1.16 1.21 0.42 0.98 0.00 0.00 173.24 174.70 3fqy s THR 52 N -3.34 2.03 0.24 2.02 -4.23 -1.26 -0.76 115.64 110.33 3fqy s THR 52 Ca 0.35 0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.81 3fqy s THR 52 Cb 0.01 -2.46 0.20 0.00 1.34 0.00 0.00 72.50 71.60 3fqy s THR 52 CO 0.22 -0.01 1.84 0.00 -0.54 0.00 0.00 174.62 176.13 3fqy h ALA 53 N -0.81 1.14 -0.57 3.99 0.00 -1.42 -2.27 119.26 119.31 3fqy h ALA 53 Ca -0.47 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.56 3fqy h ALA 53 Cb 1.30 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3fqy h ALA 53 CO 0.46 0.21 0.39 0.00 0.00 0.00 0.00 179.25 180.32 3fqy h ALA 54 N 1.41 2.18 -0.00 0.00 0.00 -1.91 -2.41 119.26 118.52 3fqy h ALA 54 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3fqy h ALA 54 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3fqy h ALA 54 CO -0.19 -0.32 -0.68 -0.25 0.00 0.00 0.00 179.25 177.81 3fqy n ASP 55 N -4.45 0.95 -0.08 0.00 8.00 -0.88 -4.38 116.55 115.71 3fqy n ASP 55 Ca 0.10 -0.79 -0.07 0.00 0.71 0.00 0.00 54.79 54.74 3fqy n ASP 55 Cb 0.45 0.58 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 3fqy n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3fqy h MET 56 N 0.42 0.14 -0.61 -1.24 4.05 -1.18 -2.19 114.93 114.33 3fqy h MET 56 Ca 0.00 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 3fqy h MET 56 Cb 0.53 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.25 3fqy h MET 56 CO 0.00 0.09 0.34 0.37 0.23 0.00 0.00 176.91 177.94 3fqy h GLN 57 N 0.14 0.64 -0.84 0.39 4.15 -1.76 -1.68 115.11 116.15 3fqy h GLN 57 Ca 0.14 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 3fqy h GLN 57 Cb 0.17 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 3fqy h GLN 57 CO -0.20 0.42 0.42 0.78 -1.93 0.00 0.00 178.83 178.31 3fqy h GLY 58 N 0.65 1.27 0.92 2.39 0.00 -1.76 -0.16 103.07 106.39 3fqy h GLY 58 Ca 0.26 -0.61 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 3fqy h GLY 58 CO -0.15 0.59 -0.10 -2.08 0.00 0.00 0.00 176.54 174.80 3fqy h VAL 59 N 1.18 1.28 -0.36 4.60 2.07 -0.92 -0.10 116.25 124.00 3fqy h VAL 59 Ca 0.29 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 3fqy h VAL 59 Cb 0.09 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3fqy h VAL 59 CO -0.04 0.38 0.04 0.58 0.02 0.00 0.00 177.57 178.55 3fqy h VAL 60 N 0.40 1.24 0.23 2.57 2.07 -1.17 0.19 116.25 121.79 3fqy h VAL 60 Ca 0.08 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3fqy h VAL 60 Cb 0.60 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3fqy h VAL 60 CO 0.04 0.30 -0.11 0.74 0.02 0.00 0.00 177.57 178.55 3fqy h THR 61 N 0.44 0.83 -0.93 2.57 2.02 -0.85 -0.77 112.91 116.22 3fqy h THR 61 Ca 0.11 -0.62 0.05 0.00 0.77 0.00 0.00 66.41 66.72 3fqy h THR 61 Cb 0.38 1.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 3fqy h THR 61 CO 0.01 0.13 0.61 0.44 0.37 0.00 0.00 175.52 177.08 3fqy h ASP 62 N -0.64 0.97 -0.09 4.18 3.32 -1.06 -2.25 116.42 120.85 3fqy h ASP 62 Ca -0.03 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3fqy h ASP 62 Cb 0.46 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3fqy h ASP 62 CO 0.05 0.64 0.02 1.23 -1.72 0.00 0.00 179.24 179.47 3fqy h GLY 63 N 1.11 0.16 0.65 2.75 0.00 -0.50 -1.92 103.07 105.33 3fqy h GLY 63 Ca 0.38 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.67 3fqy h GLY 63 CO -0.13 0.09 0.24 -0.33 0.00 0.00 0.00 176.54 176.41 3fqy h MET 64 N -0.06 0.45 0.00 4.80 2.86 -1.08 -1.85 114.93 120.06 3fqy h MET 64 Ca 0.03 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fqy h MET 64 Cb 0.25 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 3fqy h MET 64 CO 0.00 0.30 -0.00 0.00 1.06 0.00 0.00 176.91 178.27 3fqy h ALA 65 N 1.30 1.49 0.00 6.32 0.00 -1.22 -3.07 119.26 124.07 3fqy h ALA 65 Ca 0.24 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3fqy h ALA 65 Cb 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3fqy h ALA 65 CO -0.19 0.00 -0.36 0.77 0.00 0.00 0.00 179.25 179.48 3fqy h SER 66 N 0.00 0.00 -4.73 0.00 0.02 -0.51 -3.50 113.55 104.82 3fqy h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fqy h SER 66 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3fqy h SER 66 CO 0.00 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.66 3fqy n GLY 67 N 0.75 0.46 0.21 -3.77 0.00 -1.16 -4.31 105.19 97.37 3fqy n GLY 67 Ca 0.01 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.21 3fqy n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fqy h LEU 68 N 0.00 0.00 -0.37 0.99 5.85 -1.92 0.60 115.31 120.46 3fqy h LEU 68 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3fqy h LEU 68 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3fqy h LEU 68 CO 0.00 0.27 0.00 0.44 -0.34 0.00 0.00 178.44 178.81 3fqy h ASP 69 N 0.00 0.00 -0.50 1.25 3.32 -2.01 -0.96 116.42 117.51 3fqy h ASP 69 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fqy h ASP 69 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3fqy h ASP 69 CO 0.04 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.85 3fqy n LYS 70 N -2.89 2.50 -2.35 3.56 5.02 -1.09 -4.94 118.16 117.98 3fqy n LYS 70 Ca 0.03 -1.94 -0.14 0.00 -2.02 0.00 0.00 58.31 54.24 3fqy n LYS 70 Cb 0.44 -1.53 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 3fqy n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3fqy n ASP 71 N 0.91 -4.29 -3.68 4.39 9.92 -0.37 -2.49 116.55 120.94 3fqy n ASP 71 Ca 0.18 0.17 -0.25 0.00 -0.53 0.00 0.00 54.79 54.36 3fqy n ASP 71 Cb 0.53 -3.65 0.06 0.00 -0.64 0.00 0.00 41.12 37.42 3fqy n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3fqy n TYR 72 N -3.39 -2.52 -4.17 1.24 4.01 0.18 -4.78 117.16 107.72 3fqy n TYR 72 Ca -0.17 0.96 -0.18 0.00 -0.16 0.00 0.00 57.90 58.35 3fqy n TYR 72 Cb 0.61 -4.68 -0.15 0.00 -0.31 0.00 0.00 39.34 34.82 3fqy n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fqy s LEU 73 N -7.11 1.67 0.19 7.72 1.43 -1.04 -4.13 118.68 117.42 3fqy s LEU 73 Ca 0.47 -0.11 -0.32 0.00 -1.03 0.00 0.00 54.13 53.14 3fqy s LEU 73 Cb -0.22 -0.36 -0.11 0.00 0.03 0.00 0.00 46.19 45.52 3fqy s LEU 73 CO 0.77 0.01 1.72 -0.75 0.23 0.00 0.00 176.35 178.33 3fqy s LYS 74 N 0.37 4.14 0.29 1.70 2.20 -1.26 -4.85 119.74 122.33 3fqy s LYS 74 Ca -0.04 2.58 -0.28 0.00 -0.36 0.00 0.00 55.97 57.86 3fqy s LYS 74 Cb -0.08 -3.15 -0.14 0.00 -1.51 0.00 0.00 37.83 32.95 3fqy s LYS 74 CO -0.00 -0.75 1.03 -2.30 -0.36 0.00 0.00 175.35 172.96 3fqy n PRO 75 N 4.21 1.39 -3.68 4.03 -0.02 -1.26 -3.00 135.00 136.68 3fqy n PRO 75 Ca 0.16 0.49 -0.22 0.00 -2.02 0.00 0.00 63.50 61.91 3fqy n PRO 75 Cb 0.36 -1.87 0.04 0.00 -0.02 0.00 0.00 33.50 32.01 3fqy n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fqy n ASP 76 N 1.20 -2.07 -4.47 2.55 8.00 -1.26 -4.93 116.55 115.57 3fqy n ASP 76 Ca 0.09 -0.77 -0.43 0.00 0.71 0.00 0.00 54.79 54.39 3fqy n ASP 76 Cb 0.32 -4.27 -0.07 0.00 -0.02 0.00 0.00 41.12 37.08 3fqy n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fqy s ASP 77 N -4.17 6.25 0.00 -2.24 -1.08 -1.16 -4.88 116.67 109.39 3fqy s ASP 77 Ca 0.12 -0.71 0.30 0.00 -0.52 0.00 0.00 52.55 51.74 3fqy s ASP 77 Cb -0.06 -2.29 1.43 0.00 -1.46 0.00 0.00 42.92 40.54 3fqy s ASP 77 CO 0.80 -0.83 1.97 -1.54 0.52 0.00 0.00 175.17 176.08 3fqy n SER 78 N 6.17 0.53 0.13 -0.34 3.41 -1.26 -2.13 113.62 120.12 3fqy n SER 78 Ca -0.05 -0.91 0.13 0.00 -0.26 0.00 0.00 58.87 57.77 3fqy n SER 78 Cb 0.46 -0.04 0.36 0.00 -0.26 0.00 0.00 64.21 64.74 3fqy n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3fqy h ARG 79 N 0.76 0.00 -6.39 4.33 3.08 -1.97 -3.43 114.38 110.76 3fqy h ARG 79 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3fqy h ARG 79 Cb 0.27 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 3fqy h ARG 79 CO 0.00 0.00 0.90 0.08 -1.07 0.00 0.00 179.97 179.88 3fqy s VAL 80 N -3.14 4.33 0.01 2.04 1.01 -0.91 -4.52 120.40 119.23 3fqy s VAL 80 Ca 0.10 1.50 -0.18 0.00 0.00 0.00 0.00 61.98 63.39 3fqy s VAL 80 Cb 0.11 -4.35 -0.28 0.00 0.00 0.00 0.00 36.38 31.86 3fqy s VAL 80 CO 0.60 -0.56 1.05 0.40 0.00 0.00 0.00 175.10 176.60 3fqy h ILE 81 N 5.89 1.39 -2.52 2.22 2.04 -0.92 -3.48 117.51 122.13 3fqy h ILE 81 Ca -0.23 -2.35 -0.03 0.00 1.00 0.00 0.00 64.86 63.25 3fqy h ILE 81 Cb 1.07 2.78 -0.15 0.00 -0.74 0.00 0.00 36.82 39.79 3fqy h ILE 81 CO 1.05 0.69 0.22 0.00 0.00 0.00 0.00 178.15 180.11 3fqy s ALA 82 N -2.92 -1.69 0.15 1.87 0.00 -1.23 -5.01 121.76 112.94 3fqy s ALA 82 Ca -0.12 0.88 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 3fqy s ALA 82 Cb 0.04 0.46 0.07 0.00 0.00 0.00 0.00 23.12 23.69 3fqy s ALA 82 CO 0.87 -0.59 0.63 -3.38 0.00 0.00 0.00 175.76 173.29 3fqy s HIS 83 N -2.61 -0.51 0.70 0.00 -3.43 -1.26 -1.48 115.29 106.71 3fqy s HIS 83 Ca -0.04 0.29 -0.04 0.00 -0.80 0.00 0.00 55.06 54.48 3fqy s HIS 83 Cb -0.01 0.57 0.10 0.00 -1.43 0.00 0.00 32.58 31.81 3fqy s HIS 83 CO -0.03 -0.85 0.99 0.95 -2.00 0.00 0.00 174.74 173.80 3fqy s THR 84 N -3.71 2.28 0.97 -5.38 -4.23 -0.32 -4.79 115.64 100.45 3fqy s THR 84 Ca 0.02 -0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.95 3fqy s THR 84 Cb -0.01 -2.82 0.17 0.00 1.34 0.00 0.00 72.50 71.18 3fqy s THR 84 CO -0.12 0.00 1.10 -0.54 -0.54 0.00 0.00 174.62 174.52 3fqy s LYS 85 N -5.17 0.68 -0.09 3.99 1.02 -1.26 -4.57 119.74 114.35 3fqy s LYS 85 Ca 0.63 0.54 -0.27 0.00 0.02 0.00 0.00 55.97 56.90 3fqy s LYS 85 Cb -0.08 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.44 3fqy s LYS 85 CO 0.44 -2.57 0.86 -1.17 -0.92 0.00 0.00 175.35 171.99 3fqy s LEU 86 N -6.36 4.27 0.12 3.17 2.96 -1.26 -4.43 118.68 117.16 3fqy s LEU 86 Ca 0.65 1.35 0.09 0.00 -0.22 0.00 0.00 54.13 56.00 3fqy s LEU 86 Cb -0.18 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 3fqy s LEU 86 CO 0.57 -0.29 -0.23 0.27 -1.32 0.00 0.00 176.35 175.35 3fqy s ILE 87 N 1.47 1.92 0.47 6.68 -4.36 0.99 -4.87 121.20 123.51 3fqy s ILE 87 Ca 0.43 -1.67 0.08 0.00 -0.26 0.00 0.00 60.65 59.23 3fqy s ILE 87 Cb -0.18 -1.75 0.03 0.00 1.25 0.00 0.00 42.46 41.81 3fqy s ILE 87 CO 0.19 -0.04 0.58 -0.83 0.24 0.00 0.00 174.94 175.07 3fqy s GLY 88 N -2.07 1.96 0.33 6.27 0.00 -1.26 -0.64 107.32 111.92 3fqy s GLY 88 Ca 0.10 -1.82 -0.26 0.00 0.00 0.00 0.00 44.72 42.75 3fqy s GLY 88 CO 0.05 -1.63 0.71 -1.14 0.00 0.00 0.00 173.10 171.10 3fqy n SER 89 N -1.89 -0.14 0.00 1.64 3.41 -0.37 -1.49 113.62 114.79 3fqy n SER 89 Ca 0.08 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 3fqy n SER 89 Cb 0.61 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 3fqy n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fqy n GLY 90 N 1.61 2.53 3.98 5.00 0.00 -0.49 -4.93 105.19 112.89 3fqy n GLY 90 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3fqy n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fqy s GLU 91 N 0.00 2.16 0.00 1.61 2.02 -0.55 -4.91 118.70 119.03 3fqy s GLU 91 Ca 0.00 -0.97 -0.19 0.00 0.02 0.00 0.00 54.97 53.83 3fqy s GLU 91 Cb 0.00 -2.43 0.04 0.00 0.10 0.00 0.00 34.13 31.84 3fqy s GLU 91 CO 0.00 -1.04 0.42 -1.59 0.02 0.00 0.00 175.26 173.07 3fqy s LYS 92 N -4.92 0.85 -0.11 1.61 -2.85 -1.26 -3.16 119.74 109.89 3fqy s LYS 92 Ca 0.61 -0.19 -0.17 0.00 -1.00 0.00 0.00 55.97 55.22 3fqy s LYS 92 Cb -0.08 0.38 0.04 0.00 -2.06 0.00 0.00 37.83 36.11 3fqy s LYS 92 CO 0.41 -0.27 0.43 0.34 0.10 0.00 0.00 175.35 176.37 3fqy s ASP 93 N -1.60 -0.41 0.08 0.03 2.15 -0.19 -5.01 116.67 111.72 3fqy s ASP 93 Ca -0.10 0.62 0.09 0.00 0.43 0.00 0.00 52.55 53.60 3fqy s ASP 93 Cb -0.02 0.68 -0.03 0.00 -0.30 0.00 0.00 42.92 43.24 3fqy s ASP 93 CO 0.02 -0.30 -0.25 -0.44 -0.17 0.00 0.00 175.17 174.03 3fqy s SER 94 N -0.44 3.38 0.02 -0.34 0.01 -1.26 -0.38 113.70 114.70 3fqy s SER 94 Ca -0.06 -0.61 0.07 0.00 1.31 0.00 0.00 55.95 56.66 3fqy s SER 94 Cb -0.03 -0.34 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 3fqy s SER 94 CO 0.03 0.23 -0.21 0.54 0.41 0.00 0.00 173.24 174.23 3fqy s VAL 95 N -0.94 1.69 -0.04 3.43 0.11 -0.28 -4.93 120.40 119.44 3fqy s VAL 95 Ca 0.13 -1.10 0.05 0.00 -2.93 0.00 0.00 61.98 58.14 3fqy s VAL 95 Cb -0.10 -1.44 -0.01 0.00 -1.53 0.00 0.00 36.38 33.30 3fqy s VAL 95 CO 0.05 0.31 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.05 3fqy s THR 96 N -0.68 1.60 0.13 5.04 2.01 -1.26 -0.67 115.64 121.81 3fqy s THR 96 Ca 0.08 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.27 3fqy s THR 96 Cb -0.09 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 3fqy s THR 96 CO 0.01 0.45 0.01 0.72 -0.69 0.00 0.00 174.62 175.12 3fqy s PHE 97 N -0.06 0.97 -0.18 4.92 -0.12 -0.51 -4.93 117.98 118.07 3fqy s PHE 97 Ca -0.03 -1.09 -0.28 0.00 -0.05 0.00 0.00 56.93 55.48 3fqy s PHE 97 Cb -0.12 -0.56 -0.00 0.00 -0.63 0.00 0.00 43.02 41.71 3fqy s PHE 97 CO 0.02 -0.33 0.99 -0.51 -0.05 0.00 0.00 175.22 175.34 3fqy s ASP 98 N -3.08 7.11 0.49 1.98 1.01 -1.26 -1.30 116.67 121.61 3fqy s ASP 98 Ca 0.20 1.38 0.32 0.00 0.71 0.00 0.00 52.55 55.17 3fqy s ASP 98 Cb 0.07 -2.53 1.39 0.00 1.01 0.00 0.00 42.92 42.86 3fqy s ASP 98 CO 0.00 -0.55 1.95 0.58 0.21 0.00 0.00 175.17 177.37 3fqy h VAL 99 N 5.30 0.00 0.00 -1.27 2.07 -1.24 -1.89 116.25 119.23 3fqy h VAL 99 Ca -0.25 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3fqy h VAL 99 Cb 1.10 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3fqy h VAL 99 CO 0.91 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.27 3fqy h SER 100 N 0.00 0.00 0.49 0.57 4.64 -1.88 -1.04 113.55 116.34 3fqy h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fqy h SER 100 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3fqy h SER 100 CO 0.00 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.07 3fqy h LYS 101 N 0.00 0.00 -5.72 4.77 1.57 -1.73 -3.43 116.57 112.02 3fqy h LYS 101 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 3fqy h LYS 101 Cb 0.35 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.56 3fqy h LYS 101 CO 0.00 0.00 -0.53 -0.51 -0.57 0.00 0.00 179.45 177.84 3fqy s LEU 102 N -5.30 4.07 0.10 2.94 1.43 -0.39 -5.10 118.68 116.43 3fqy s LEU 102 Ca -0.00 0.33 0.10 0.00 -1.03 0.00 0.00 54.13 53.53 3fqy s LEU 102 Cb 0.09 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3fqy s LEU 102 CO 0.39 0.38 -0.27 -1.59 0.23 0.00 0.00 176.35 175.49 3fqy s LYS 103 N -0.85 1.53 0.66 1.70 -2.85 -1.26 -5.06 119.74 113.62 3fqy s LYS 103 Ca 0.13 -1.26 -0.17 0.00 -1.00 0.00 0.00 55.97 53.67 3fqy s LYS 103 Cb -0.12 -1.91 -0.02 0.00 -2.06 0.00 0.00 37.83 33.72 3fqy s LYS 103 CO 0.03 0.47 0.95 0.39 0.10 0.00 0.00 175.35 177.29 3fqy n GLU 104 N 1.22 0.70 -0.79 1.78 1.02 -1.26 -2.70 120.64 120.61 3fqy n GLU 104 Ca -0.18 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3fqy n GLU 104 Cb 0.53 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 3fqy n GLU 104 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fqy n GLY 105 N 1.22 0.50 3.91 0.62 0.00 -1.26 -4.99 105.19 105.19 3fqy n GLY 105 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3fqy n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fqy s GLU 106 N -0.53 3.55 -0.23 1.61 2.56 -1.10 -5.08 118.70 119.48 3fqy s GLU 106 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 54.97 54.62 3fqy s GLU 106 Cb 0.00 -2.89 -0.05 0.00 2.00 0.00 0.00 34.13 33.19 3fqy s GLU 106 CO 0.00 0.48 0.15 -1.14 -0.56 0.00 0.00 175.26 174.19 3fqy s GLN 107 N -2.82 4.11 0.05 4.30 0.74 -1.26 -4.93 119.66 119.84 3fqy s GLN 107 Ca 0.39 -0.26 0.08 0.00 0.05 0.00 0.00 55.36 55.62 3fqy s GLN 107 Cb -0.12 -3.49 -0.03 0.00 1.10 0.00 0.00 33.01 30.47 3fqy s GLN 107 CO 0.27 0.14 -0.20 0.71 -0.55 0.00 0.00 175.29 175.66 3fqy s TYR 108 N 0.81 2.49 0.01 1.67 2.02 -1.24 -1.17 117.35 121.94 3fqy s TYR 108 Ca 0.08 -0.30 0.08 0.00 -0.37 0.00 0.00 57.07 56.56 3fqy s TYR 108 Cb -0.13 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.98 3fqy s TYR 108 CO 0.02 0.23 -0.24 -1.64 -1.57 0.00 0.00 175.55 172.36 3fqy s MET 109 N -1.43 1.78 0.10 -0.62 -1.94 0.06 -1.74 119.30 115.52 3fqy s MET 109 Ca 0.14 -0.92 0.05 0.00 -1.71 0.00 0.00 55.69 53.25 3fqy s MET 109 Cb -0.10 -1.81 -0.04 0.00 2.01 0.00 0.00 34.83 34.89 3fqy s MET 109 CO 0.05 0.48 0.01 -0.59 -0.01 0.00 0.00 175.02 174.96 3fqy s PHE 110 N -0.65 2.99 0.13 -0.03 -0.12 -0.23 -1.98 117.98 118.09 3fqy s PHE 110 Ca 0.09 -0.03 -0.26 0.00 -0.05 0.00 0.00 56.93 56.68 3fqy s PHE 110 Cb -0.09 -1.53 0.07 0.00 -0.63 0.00 0.00 43.02 40.84 3fqy s PHE 110 CO 0.00 0.49 0.98 -0.59 -0.05 0.00 0.00 175.22 176.05 3fqy s PHE 111 N -1.37 -0.14 -0.13 3.49 -0.12 0.23 -0.85 117.98 119.09 3fqy s PHE 111 Ca 0.26 -0.14 -0.05 0.00 -0.05 0.00 0.00 56.93 56.96 3fqy s PHE 111 Cb -0.11 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 3fqy s PHE 111 CO 0.19 -0.76 0.05 0.34 -0.05 0.00 0.00 175.22 174.99 3fqy s ASP 112 N -2.91 5.60 0.00 1.98 -1.08 -0.82 -0.43 116.67 119.01 3fqy s ASP 112 Ca 0.12 0.19 0.18 0.00 -0.52 0.00 0.00 52.55 52.52 3fqy s ASP 112 Cb -0.01 -1.78 0.42 0.00 -1.46 0.00 0.00 42.92 40.10 3fqy s ASP 112 CO 0.01 0.31 1.34 0.35 0.52 0.00 0.00 175.17 177.71 3fqy n THR 113 N 2.60 0.76 -2.11 1.71 -2.24 -1.26 -3.44 114.28 110.30 3fqy n THR 113 Ca -0.18 -0.88 -0.41 0.00 -2.27 0.00 0.00 64.05 60.31 3fqy n THR 113 Cb 0.53 0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 69.46 3fqy n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3fqy s PHE 114 N -1.13 3.03 -0.23 4.78 5.36 -1.26 -4.17 117.98 124.37 3fqy s PHE 114 Ca 0.35 1.41 -0.40 0.00 -0.96 0.00 0.00 56.93 57.32 3fqy s PHE 114 Cb 0.19 -3.69 -0.16 0.00 -0.34 0.00 0.00 43.02 39.02 3fqy s PHE 114 CO 0.25 -1.89 1.63 -2.30 -1.46 0.00 0.00 175.22 171.46 3fqy n PRO 115 N 0.79 0.99 0.00 10.12 -0.02 -1.26 -1.40 135.00 144.21 3fqy n PRO 115 Ca -0.00 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3fqy n PRO 115 Cb 0.42 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3fqy n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fqy n GLY 116 N 3.79 2.99 0.19 -1.23 0.00 -1.26 -4.90 105.19 104.77 3fqy n GLY 116 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 3fqy n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3fqy h HIS 117 N 0.00 0.25 0.00 1.61 3.86 -1.52 -2.94 115.15 116.41 3fqy h HIS 117 Ca 0.00 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3fqy h HIS 117 Cb 0.00 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.41 3fqy h HIS 117 CO 0.00 0.59 0.00 0.66 0.86 0.00 0.00 177.93 180.04 3fqy h SER 118 N 0.18 0.00 -0.86 2.45 4.64 -1.74 0.24 113.55 118.45 3fqy h SER 118 Ca 0.02 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.53 3fqy h SER 118 Cb 0.80 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.78 3fqy h SER 118 CO 0.06 0.00 0.37 0.00 -0.87 0.00 0.00 176.83 176.39 3fqy h ALA 119 N 2.02 1.33 0.00 5.18 0.00 -1.87 -3.29 119.26 122.63 3fqy h ALA 119 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3fqy h ALA 119 Cb 0.06 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3fqy h ALA 119 CO 0.00 -0.28 -1.22 1.28 0.00 0.00 0.00 179.25 179.02 3fqy n LEU 120 N -5.02 0.00 -4.12 0.00 4.77 -0.79 -4.89 117.00 106.95 3fqy n LEU 120 Ca 0.20 -0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.74 3fqy n LEU 120 Cb 0.58 0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.75 3fqy n LEU 120 CO 0.15 0.08 1.15 0.23 -1.33 0.00 0.00 177.39 177.67 3fqy n MET 121 N -2.12 4.04 -3.62 3.23 2.81 0.76 -4.69 117.12 117.53 3fqy n MET 121 Ca -0.05 -4.36 -0.11 0.00 -1.81 0.00 0.00 57.70 51.37 3fqy n MET 121 Cb 0.61 -2.61 -0.04 0.00 -0.71 0.00 0.00 33.22 30.47 3fqy n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3fqy s LYS 122 N -1.68 1.19 0.16 0.03 -2.85 -1.26 -1.94 119.74 113.39 3fqy s LYS 122 Ca 0.33 -0.70 -0.24 0.00 -1.00 0.00 0.00 55.97 54.36 3fqy s LYS 122 Cb 0.01 0.51 0.07 0.00 -2.06 0.00 0.00 37.83 36.36 3fqy s LYS 122 CO 0.03 -0.49 1.03 0.20 0.10 0.00 0.00 175.35 176.22 3fqy s GLY 123 N -2.81 -0.05 0.14 0.59 0.00 -0.03 -4.69 107.32 100.46 3fqy s GLY 123 Ca 0.04 -0.10 -0.09 0.00 0.00 0.00 0.00 44.72 44.57 3fqy s GLY 123 CO -0.10 1.40 0.44 -0.51 0.00 0.00 0.00 173.10 174.33 3fqy s THR 124 N -2.59 5.05 -0.14 0.90 -4.23 -0.73 -1.07 115.64 112.84 3fqy s THR 124 Ca 0.18 0.39 0.02 0.00 -1.18 0.00 0.00 61.69 61.10 3fqy s THR 124 Cb -0.02 -3.64 0.01 0.00 1.34 0.00 0.00 72.50 70.19 3fqy s THR 124 CO 0.04 0.14 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.83 3fqy s LEU 125 N -2.31 2.02 -0.06 4.79 0.20 -0.71 -1.25 118.68 121.36 3fqy s LEU 125 Ca 0.39 -0.57 0.05 0.00 0.69 0.00 0.00 54.13 54.69 3fqy s LEU 125 Cb -0.13 -1.37 -0.01 0.00 -0.43 0.00 0.00 46.19 44.26 3fqy s LEU 125 CO 0.21 0.06 -0.22 0.42 -0.29 0.00 0.00 176.35 176.52 3fqy s THR 126 N 0.91 1.84 0.15 3.68 -4.23 -0.09 -3.72 115.64 114.18 3fqy s THR 126 Ca -0.06 -0.93 -0.30 0.00 -1.18 0.00 0.00 61.69 59.22 3fqy s THR 126 Cb -0.15 -1.57 -0.07 0.00 1.34 0.00 0.00 72.50 72.05 3fqy s THR 126 CO -0.03 0.51 0.96 -0.22 -0.54 0.00 0.00 174.62 175.30 3fqy s LEU 127 N 0.01 4.54 0.00 4.79 2.96 -1.26 1.00 118.68 130.72 3fqy s LEU 127 Ca -0.07 1.85 0.00 0.00 -0.22 0.00 0.00 54.13 55.69 3fqy s LEU 127 Cb -0.14 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.96 3fqy s LEU 127 CO 0.04 -0.00 0.20 1.17 -1.32 0.00 0.00 176.35 176.44