#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fgr s LYS 7 N 0.00 3.96 -0.20 0.00 1.02 -1.25 0.18 119.74 123.44 1fgr s LYS 7 Ca 0.00 0.29 0.02 0.00 0.02 0.00 0.00 55.97 56.30 1fgr s LYS 7 Cb 0.00 -3.27 0.03 0.00 -0.52 0.00 0.00 37.83 34.07 1fgr s LYS 7 CO 0.00 0.57 -0.17 0.42 -0.92 0.00 0.00 175.35 175.25 1fgr s ILE 8 N -0.63 2.06 -0.08 2.17 1.01 -0.50 -4.91 121.20 120.31 1fgr s ILE 8 Ca 0.22 -1.14 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 1fgr s ILE 8 Cb -0.15 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 1fgr s ILE 8 CO 0.10 0.36 1.12 -0.75 0.00 0.00 0.00 174.94 175.77 1fgr s LYS 9 N 1.25 4.38 0.18 2.79 2.20 -1.26 -1.81 119.74 127.46 1fgr s LYS 9 Ca 0.01 1.56 0.06 0.00 -0.36 0.00 0.00 55.97 57.24 1fgr s LYS 9 Cb -0.15 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 1fgr s LYS 9 CO -0.10 -0.40 -0.13 0.20 -0.36 0.00 0.00 175.35 174.55 1fgr s GLY 10 N 1.33 1.26 -0.08 5.54 0.00 0.10 -2.11 107.32 113.37 1fgr s GLY 10 Ca 0.53 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.70 1fgr s GLY 10 CO 0.20 -1.65 -0.09 -1.59 0.00 0.00 0.00 173.10 169.97 1fgr s THR 11 N -3.00 0.98 -0.18 0.90 2.01 -0.32 -1.89 115.64 114.14 1fgr s THR 11 Ca 0.19 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 1fgr s THR 11 Cb -0.00 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 1fgr s THR 11 CO 0.04 0.34 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.62 1fgr s VAL 12 N 1.13 4.03 -0.15 3.82 1.01 0.13 -1.42 120.40 128.95 1fgr s VAL 12 Ca -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1fgr s VAL 12 Cb -0.14 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1fgr s VAL 12 CO -0.01 0.45 -0.07 -0.69 0.00 0.00 0.00 175.10 174.78 1fgr s VAL 13 N 0.73 3.59 0.16 2.92 1.01 -0.19 0.44 120.40 129.05 1fgr s VAL 13 Ca -0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1fgr s VAL 13 Cb -0.14 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1fgr s VAL 13 CO 0.02 0.50 0.27 -1.48 0.00 0.00 0.00 175.10 174.42 1fgr s LEU 14 N 0.36 1.02 -0.12 3.92 0.05 -0.46 -0.52 118.68 122.92 1fgr s LEU 14 Ca -0.07 -0.87 0.01 0.00 0.05 0.00 0.00 54.13 53.25 1fgr s LEU 14 Cb -0.15 1.15 0.02 0.00 -2.05 0.00 0.00 46.19 45.16 1fgr s LEU 14 CO 0.04 -0.88 -0.14 -0.04 -0.55 0.00 0.00 176.35 174.78 1fgr s MET 15 N -3.96 2.15 0.53 1.48 -1.94 0.78 -0.97 119.30 117.36 1fgr s MET 15 Ca 0.17 -0.52 -0.21 0.00 -1.71 0.00 0.00 55.69 53.42 1fgr s MET 15 Cb 0.04 -1.92 -0.05 0.00 2.01 0.00 0.00 34.83 34.91 1fgr s MET 15 CO -0.01 -0.15 1.22 -2.14 -0.01 0.00 0.00 175.02 173.93 1fgr s PRO 16 N 1.25 3.33 0.31 2.03 0.02 -1.26 -0.21 135.00 140.47 1fgr s PRO 16 Ca -0.01 1.88 0.08 0.00 0.02 0.00 0.00 61.00 62.96 1fgr s PRO 16 Cb -0.14 -2.18 0.87 0.00 0.02 0.00 0.00 34.50 33.07 1fgr s PRO 16 CO -0.06 -0.93 1.67 -0.22 -0.33 0.00 0.00 177.00 177.12 1fgr h LYS 17 N 1.46 0.30 -0.14 5.54 3.64 -1.93 -0.87 116.57 124.56 1fgr h LYS 17 Ca -0.50 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1fgr h LYS 17 Cb 1.28 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1fgr h LYS 17 CO 0.58 0.20 0.00 0.27 -2.27 0.00 0.00 179.45 178.22 1fgr n ASN 18 N -5.11 0.14 -0.08 4.20 6.94 -1.26 -2.75 115.26 117.34 1fgr n ASN 18 Ca 0.26 -0.56 -0.12 0.00 -0.02 0.00 0.00 54.58 54.14 1fgr n ASN 18 Cb 0.80 -0.07 -0.07 0.00 -2.36 0.00 0.00 39.78 38.08 1fgr n ASN 18 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1fgr n GLU 19 N -0.07 0.40 -0.10 -3.83 -0.58 -0.33 -4.64 120.64 111.49 1fgr n GLU 19 Ca 0.00 0.10 0.12 0.00 -0.42 0.00 0.00 57.16 56.96 1fgr n GLU 19 Cb 0.03 -1.29 0.28 0.00 -0.57 0.00 0.00 31.44 29.90 1fgr n GLU 19 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1fgr n LEU 20 N -3.10 2.56 0.04 -4.62 4.32 -1.11 -4.40 117.00 110.69 1fgr n LEU 20 Ca -0.29 -1.03 0.00 0.00 -0.02 0.00 0.00 56.01 54.67 1fgr n LEU 20 Cb 0.79 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.46 1fgr n LEU 20 CO 0.14 0.51 -0.13 -1.84 -1.22 0.00 0.00 177.39 174.86 1fgr n GLU 21 N 0.93 0.00 -4.48 3.23 0.28 -1.20 -2.05 120.64 117.34 1fgr n GLU 21 Ca 0.17 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.90 1fgr n GLU 21 Cb 0.48 -0.19 -0.07 0.00 1.43 0.00 0.00 31.44 33.09 1fgr n GLU 21 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1fgr n ASN 31 N -2.96 1.79 0.00 -1.84 4.13 -1.26 -4.84 115.26 110.28 1fgr n ASN 31 Ca 0.00 -3.20 0.00 0.00 1.68 0.00 0.00 54.58 53.06 1fgr n ASN 31 Cb 0.13 0.87 0.00 0.00 -1.54 0.00 0.00 39.78 39.23 1fgr n ASN 31 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1fgr n LEU 32 N 0.00 0.00 0.08 3.41 4.77 -1.26 0.83 117.00 124.83 1fgr n LEU 32 Ca -0.10 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.09 1fgr n LEU 32 Cb 0.62 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.41 1fgr n LEU 32 CO 0.33 0.00 1.18 0.78 -1.33 0.00 0.00 177.39 178.35 1fgr h ASN 33 N 0.00 0.00 0.71 -1.43 2.35 -2.02 0.22 115.58 115.42 1fgr h ASN 33 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1fgr h ASN 33 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1fgr h ASN 33 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1fgr h ALA 34 N 1.32 1.00 0.00 -0.83 0.00 -0.07 -2.12 119.26 118.56 1fgr h ALA 34 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1fgr h ALA 34 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1fgr h ALA 34 CO -0.00 0.00 -0.18 1.19 0.00 0.00 0.00 179.25 180.25 1fgr n PHE 35 N -2.59 0.09 -0.37 0.00 3.72 0.78 -4.74 117.46 114.36 1fgr n PHE 35 Ca 0.01 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1fgr n PHE 35 Cb 0.23 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 1fgr n PHE 35 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1fgr n LEU 36 N -1.58 0.00 0.00 4.37 4.77 -0.80 -4.03 117.00 119.73 1fgr n LEU 36 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1fgr n LEU 36 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1fgr n LEU 36 CO 0.30 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1fgr n GLY 37 N 5.00 3.20 2.02 -0.72 0.00 -1.26 -2.09 105.19 111.34 1fgr n GLY 37 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 1fgr n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fgr n ARG 38 N 13.92 2.54 0.10 1.61 1.74 -1.26 -4.46 116.66 130.84 1fgr n ARG 38 Ca 0.00 -3.33 -0.18 0.00 -0.77 0.00 0.00 57.85 53.57 1fgr n ARG 38 Cb 0.00 -2.16 -0.11 0.00 -1.02 0.00 0.00 32.46 29.17 1fgr n ARG 38 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1fgr h SER 39 N 1.56 0.62 -3.38 0.55 0.02 -1.62 -3.44 113.55 107.85 1fgr h SER 39 Ca 0.50 -0.58 -0.36 0.00 -0.84 0.00 0.00 61.79 60.51 1fgr h SER 39 Cb 1.64 -0.20 -0.37 0.00 0.14 0.00 0.00 62.40 63.62 1fgr h SER 39 CO 1.10 1.42 -0.74 -0.69 -1.14 0.00 0.00 176.83 176.78 1fgr s VAL 40 N -2.92 0.00 0.05 2.27 1.01 -1.26 -0.23 120.40 119.34 1fgr s VAL 40 Ca -0.06 0.29 0.09 0.00 0.00 0.00 0.00 61.98 62.30 1fgr s VAL 40 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 1fgr s VAL 40 CO 0.90 0.16 -0.26 -0.94 0.00 0.00 0.00 175.10 174.96 1fgr s SER 41 N 1.73 3.21 0.10 3.32 1.04 -0.70 -2.70 113.70 119.70 1fgr s SER 41 Ca -0.00 -0.60 0.09 0.00 0.48 0.00 0.00 55.95 55.91 1fgr s SER 41 Cb -0.12 -0.30 -0.03 0.00 0.10 0.00 0.00 66.02 65.66 1fgr s SER 41 CO -0.03 0.25 -0.22 -0.76 0.98 0.00 0.00 173.24 173.46 1fgr s LEU 42 N -1.32 2.29 -0.08 2.42 1.02 0.94 -1.07 118.68 122.87 1fgr s LEU 42 Ca 0.12 -0.68 -0.00 0.00 0.02 0.00 0.00 54.13 53.59 1fgr s LEU 42 Cb -0.10 -0.95 0.02 0.00 0.02 0.00 0.00 46.19 45.19 1fgr s LEU 42 CO 0.03 0.09 -0.04 -1.10 0.02 0.00 0.00 176.35 175.34 1fgr s GLN 43 N -1.85 1.03 0.45 1.70 -0.21 -0.29 -0.93 119.66 119.55 1fgr s GLN 43 Ca 0.08 -0.10 -0.21 0.00 0.02 0.00 0.00 55.36 55.15 1fgr s GLN 43 Cb -0.10 -1.15 -0.10 0.00 1.00 0.00 0.00 33.01 32.66 1fgr s GLN 43 CO 0.04 -0.20 0.98 -0.51 -2.12 0.00 0.00 175.29 173.48 1fgr s LEU 44 N 1.48 3.91 -0.06 2.90 1.43 -1.26 -0.13 118.68 126.95 1fgr s LEU 44 Ca -0.01 1.77 0.04 0.00 -1.03 0.00 0.00 54.13 54.90 1fgr s LEU 44 Cb -0.13 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.54 1fgr s LEU 44 CO -0.04 -0.50 -0.18 -0.63 0.23 0.00 0.00 176.35 175.23 1fgr s ILE 45 N -2.11 1.51 0.19 -0.59 1.01 0.56 -0.58 121.20 121.19 1fgr s ILE 45 Ca 0.64 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 60.27 1fgr s ILE 45 Cb -0.12 -1.32 -0.08 0.00 0.01 0.00 0.00 42.46 40.95 1fgr s ILE 45 CO 0.15 0.44 0.90 -0.55 0.00 0.00 0.00 174.94 175.88 1fgr s SER 46 N 0.29 7.54 0.00 3.58 0.15 -0.11 -1.26 113.70 123.89 1fgr s SER 46 Ca -0.11 1.83 0.22 0.00 0.70 0.00 0.00 55.95 58.59 1fgr s SER 46 Cb -0.14 -2.57 -0.07 0.00 -1.71 0.00 0.00 66.02 61.52 1fgr s SER 46 CO 0.04 0.13 1.01 0.00 1.20 0.00 0.00 173.24 175.62 1fgr n ALA 47 N 1.78 4.50 -0.00 5.45 0.00 0.95 -4.22 120.51 128.95 1fgr n ALA 47 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1fgr n ALA 47 Cb 0.48 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 1fgr n ALA 47 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1fgr n THR 48 N -1.47 0.05 -3.95 0.00 -2.24 -1.23 -4.19 114.28 101.24 1fgr n THR 48 Ca 0.04 -0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.42 1fgr n THR 48 Cb 0.33 -0.09 -0.14 0.00 -2.10 0.00 0.00 70.33 68.33 1fgr n THR 48 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1fgr s LYS 49 N -2.11 3.21 0.28 -0.78 2.47 -1.26 -4.93 119.74 116.62 1fgr s LYS 49 Ca -0.01 -0.73 0.09 0.00 -1.56 0.00 0.00 55.97 53.76 1fgr s LYS 49 Cb 0.01 -2.94 -0.04 0.00 -1.46 0.00 0.00 37.83 33.40 1fgr s LYS 49 CO 0.08 -0.24 0.09 0.00 0.16 0.00 0.00 175.35 175.45 1fgr s ALA 50 N 1.42 3.38 0.80 3.13 0.00 -1.26 -1.20 121.76 128.03 1fgr s ALA 50 Ca 0.05 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1fgr s ALA 50 Cb -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1fgr s ALA 50 CO -0.05 0.20 0.00 -0.40 0.00 0.00 0.00 175.76 175.51 1fgr n ASP 51 N -1.05 0.00 0.04 0.00 5.68 0.56 -4.77 116.55 117.00 1fgr n ASP 51 Ca -0.06 -0.41 0.08 0.00 -0.50 0.00 0.00 54.79 53.90 1fgr n ASP 51 Cb 0.59 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.92 1fgr n ASP 51 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1fgr n ALA 52 N -3.00 1.62 -0.34 2.12 0.00 -1.26 -2.46 120.51 117.20 1fgr n ALA 52 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.49 1fgr n ALA 52 Cb 0.00 -1.26 0.17 0.00 0.00 0.00 0.00 19.45 18.36 1fgr n ALA 52 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fgr n HIS 53 N -1.70 0.54 -0.97 0.00 8.25 -1.26 -4.96 115.22 115.12 1fgr n HIS 53 Ca 0.03 -0.58 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 1fgr n HIS 53 Cb 0.17 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1fgr n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fgr n GLY 54 N 0.27 0.87 3.80 -1.41 0.00 -1.03 -5.02 105.19 102.68 1fgr n GLY 54 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1fgr n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fgr s LYS 55 N -0.03 4.03 0.23 1.61 1.02 -1.26 -4.03 119.74 121.31 1fgr s LYS 55 Ca 0.00 0.37 -0.31 0.00 0.02 0.00 0.00 55.97 56.05 1fgr s LYS 55 Cb 0.00 -3.29 -0.14 0.00 -0.52 0.00 0.00 37.83 33.88 1fgr s LYS 55 CO 0.00 0.54 1.18 0.41 -0.92 0.00 0.00 175.35 176.55 1fgr n GLY 56 N 2.29 0.14 3.76 -3.33 0.00 0.31 -0.33 105.19 108.04 1fgr n GLY 56 Ca -0.12 0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 1fgr n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fgr s LYS 57 N -0.81 3.56 -0.09 1.61 1.02 -0.34 -4.57 119.74 120.12 1fgr s LYS 57 Ca 0.67 2.10 0.00 0.00 0.02 0.00 0.00 55.97 58.75 1fgr s LYS 57 Cb -0.75 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 1fgr s LYS 57 CO 0.54 -0.81 -0.08 0.08 -0.92 0.00 0.00 175.35 174.16 1fgr s VAL 58 N -1.36 3.54 0.25 3.17 1.01 -1.26 -0.94 120.40 124.81 1fgr s VAL 58 Ca 0.65 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1fgr s VAL 58 Cb -0.37 -2.47 0.06 0.00 0.00 0.00 0.00 36.38 33.61 1fgr s VAL 58 CO 0.45 0.56 0.33 0.61 0.00 0.00 0.00 175.10 177.06 1fgr n GLY 59 N 2.71 -1.22 3.83 4.51 0.00 0.25 -4.98 105.19 110.29 1fgr n GLY 59 Ca -0.18 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 1fgr n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fgr s LYS 60 N -3.73 4.06 0.02 1.61 1.02 -1.26 -4.70 119.74 116.76 1fgr s LYS 60 Ca 0.19 1.07 -0.30 0.00 0.02 0.00 0.00 55.97 56.95 1fgr s LYS 60 Cb -0.00 -2.15 -0.08 0.00 -0.52 0.00 0.00 37.83 35.07 1fgr s LYS 60 CO 0.13 -0.18 1.87 -0.51 -0.92 0.00 0.00 175.35 175.75 1fgr s ASP 61 N -2.53 6.51 -0.11 2.83 1.01 -1.26 -4.53 116.67 118.58 1fgr s ASP 61 Ca 0.61 2.55 0.02 0.00 0.71 0.00 0.00 52.55 56.45 1fgr s ASP 61 Cb -0.10 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 1fgr s ASP 61 CO 0.21 -1.01 -0.20 -0.89 0.21 0.00 0.00 175.17 173.49 1fgr s THR 62 N 4.23 2.45 0.26 -1.27 2.01 -0.11 -4.90 115.64 118.31 1fgr s THR 62 Ca 0.84 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 62.01 1fgr s THR 62 Cb -0.40 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1fgr s THR 62 CO 0.38 0.55 0.37 -0.36 -0.69 0.00 0.00 174.62 174.87 1fgr s PHE 63 N 0.35 3.36 0.25 4.92 0.40 -1.26 -0.04 117.98 125.95 1fgr s PHE 63 Ca -0.16 -0.07 -0.31 0.00 -0.60 0.00 0.00 56.93 55.80 1fgr s PHE 63 Cb -0.17 -1.65 -0.11 0.00 0.51 0.00 0.00 43.02 41.60 1fgr s PHE 63 CO 0.08 0.35 1.58 -0.51 0.70 0.00 0.00 175.22 177.41 1fgr s LEU 64 N -4.01 4.36 -0.19 -0.37 1.43 -1.10 -4.77 118.68 114.04 1fgr s LEU 64 Ca 0.36 2.82 -0.13 0.00 -1.03 0.00 0.00 54.13 56.16 1fgr s LEU 64 Cb -0.09 -3.62 -0.21 0.00 0.03 0.00 0.00 46.19 42.30 1fgr s LEU 64 CO 0.29 -0.86 0.17 -0.62 0.23 0.00 0.00 176.35 175.56 1fgr n GLU 65 N 2.79 0.65 -3.80 1.70 1.02 -0.12 -4.09 120.64 118.81 1fgr n GLU 65 Ca 0.10 0.38 -0.04 0.00 -0.02 0.00 0.00 57.16 57.57 1fgr n GLU 65 Cb 0.38 -1.68 -0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1fgr n GLU 65 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1fgr s GLY 66 N -5.38 -0.09 -0.01 0.62 0.00 -1.21 -4.88 107.32 96.37 1fgr s GLY 66 Ca -0.28 -0.10 -0.25 0.00 0.00 0.00 0.00 44.72 44.09 1fgr s GLY 66 CO 0.65 0.42 0.75 -0.42 0.00 0.00 0.00 173.10 174.51 1fgr s ILE 67 N -3.06 4.88 -0.31 0.90 1.09 -1.26 -0.25 121.20 123.20 1fgr s ILE 67 Ca 0.14 1.58 -0.13 0.00 -1.10 0.00 0.00 60.65 61.14 1fgr s ILE 67 Cb -0.03 -4.09 -0.03 0.00 -1.06 0.00 0.00 42.46 37.25 1fgr s ILE 67 CO 0.04 0.30 0.29 0.21 -0.10 0.00 0.00 174.94 175.68 1fgr s ASN 68 N 0.38 6.12 -0.49 3.58 3.84 0.59 -4.82 114.94 124.15 1fgr s ASN 68 Ca 0.39 -0.09 0.06 0.00 0.21 0.00 0.00 52.86 53.43 1fgr s ASN 68 Cb -0.19 -2.16 0.39 0.00 -0.55 0.00 0.00 41.25 38.73 1fgr s ASN 68 CO 0.21 -0.20 1.03 1.07 -2.79 0.00 0.00 177.10 176.43 1fgr n THR 69 N 5.13 2.50 -0.07 -5.21 5.66 -1.26 -4.33 114.28 116.70 1fgr n THR 69 Ca -0.11 -5.09 -0.14 0.00 -3.05 0.00 0.00 64.05 55.66 1fgr n THR 69 Cb 0.51 -1.20 -0.05 0.00 -1.55 0.00 0.00 70.33 68.04 1fgr n THR 69 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1fgr n SER 70 N -0.35 1.02 -4.69 1.09 7.64 -1.26 -5.02 113.62 112.06 1fgr n SER 70 Ca 0.34 0.15 -0.39 0.00 1.01 0.00 0.00 58.87 59.98 1fgr n SER 70 Cb 0.56 -0.38 -0.06 0.00 -1.01 0.00 0.00 64.21 63.32 1fgr n SER 70 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1fgr s LEU 71 N -6.67 4.20 0.13 -3.43 2.96 -1.26 -4.97 118.68 109.64 1fgr s LEU 71 Ca -0.18 0.76 -0.17 0.00 -0.22 0.00 0.00 54.13 54.32 1fgr s LEU 71 Cb 0.07 -2.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 1fgr s LEU 71 CO 0.23 -0.12 1.71 -0.65 -1.32 0.00 0.00 176.35 176.20 1fgr h PRO 72 N 7.17 0.50 -5.24 0.98 0.11 -2.01 -3.37 132.00 130.15 1fgr h PRO 72 Ca -0.36 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 1fgr h PRO 72 Cb 1.16 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1fgr h PRO 72 CO 0.75 0.44 0.16 0.99 -0.21 0.00 0.00 178.00 180.13 1fgr s THR 73 N -5.75 3.08 -0.33 -1.15 2.01 -1.26 -4.53 115.64 107.72 1fgr s THR 73 Ca -0.13 -0.12 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 1fgr s THR 73 Cb 0.10 -3.76 0.19 0.00 0.01 0.00 0.00 72.50 69.03 1fgr s THR 73 CO 0.73 -0.16 1.00 -0.22 -0.69 0.00 0.00 174.62 175.28 1fgr s LEU 74 N 15.64 -0.47 0.00 4.42 2.96 -1.26 -5.17 118.68 134.80 1fgr s LEU 74 Ca 0.83 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.54 1fgr s LEU 74 Cb -0.07 0.69 0.00 0.00 0.50 0.00 0.00 46.19 47.31 1fgr s LEU 74 CO 0.14 -0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.72 1fgr n GLY 75 N 3.96 3.68 4.23 7.98 0.00 -1.26 -4.77 105.19 119.00 1fgr n GLY 75 Ca 0.07 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 1fgr n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fgr n ALA 76 N -3.00 -1.84 -3.54 4.61 0.00 -1.26 -0.16 120.51 115.32 1fgr n ALA 76 Ca 0.00 -0.31 -0.25 0.00 0.00 0.00 0.00 53.44 52.88 1fgr n ALA 76 Cb 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 17.96 1fgr n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fgr n GLY 77 N -2.11 -0.47 3.92 0.00 0.00 -1.26 -4.92 105.19 100.35 1fgr n GLY 77 Ca -0.23 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1fgr n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fgr s GLU 78 N -6.18 3.56 -0.02 1.61 2.02 0.77 -4.52 118.70 115.93 1fgr s GLU 78 Ca 0.46 -0.23 0.02 0.00 0.02 0.00 0.00 54.97 55.23 1fgr s GLU 78 Cb -0.25 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1fgr s GLU 78 CO 0.56 0.39 -0.07 -1.12 0.02 0.00 0.00 175.26 175.04 1fgr s SER 79 N -3.00 0.95 -0.11 -0.19 0.01 -0.15 -4.83 113.70 106.39 1fgr s SER 79 Ca 0.40 -0.14 -0.06 0.00 1.31 0.00 0.00 55.95 57.46 1fgr s SER 79 Cb -0.11 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 1fgr s SER 79 CO 0.28 0.05 0.11 0.00 0.41 0.00 0.00 173.24 174.10 1fgr s ALA 80 N 0.16 3.77 -0.04 1.44 0.00 -1.26 -1.36 121.76 124.48 1fgr s ALA 80 Ca -0.02 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1fgr s ALA 80 Cb -0.07 -1.88 -0.00 0.00 0.00 0.00 0.00 23.12 21.17 1fgr s ALA 80 CO 0.00 0.62 -0.15 -0.06 0.00 0.00 0.00 175.76 176.16 1fgr s PHE 81 N -1.01 1.53 0.32 0.00 0.08 0.17 -0.30 117.98 118.78 1fgr s PHE 81 Ca 0.15 -0.43 -0.20 0.00 0.12 0.00 0.00 56.93 56.57 1fgr s PHE 81 Cb -0.12 -1.04 -0.10 0.00 -0.57 0.00 0.00 43.02 41.20 1fgr s PHE 81 CO 0.04 -0.15 0.84 -0.80 -0.10 0.00 0.00 175.22 175.05 1fgr s ASN 82 N 0.07 7.02 -0.21 1.36 0.01 0.66 -0.70 114.94 123.15 1fgr s ASN 82 Ca -0.03 1.55 -0.26 0.00 -0.71 0.00 0.00 52.86 53.41 1fgr s ASN 82 Cb -0.11 -2.48 0.07 0.00 0.41 0.00 0.00 41.25 39.15 1fgr s ASN 82 CO 0.02 -0.15 0.70 -0.51 -1.51 0.00 0.00 177.10 175.65 1fgr s ILE 83 N -1.83 0.00 -0.07 0.60 2.07 -0.79 -0.94 121.20 120.24 1fgr s ILE 83 Ca 0.52 -0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.79 1fgr s ILE 83 Cb -0.14 -0.99 0.01 0.00 0.13 0.00 0.00 42.46 41.47 1fgr s ILE 83 CO 0.19 -0.00 -0.16 -1.00 -1.91 0.00 0.00 174.94 172.05 1fgr s HIS 84 N -0.02 1.84 -0.06 3.50 3.76 -1.26 0.01 115.29 123.04 1fgr s HIS 84 Ca -0.03 -0.70 -0.01 0.00 -0.15 0.00 0.00 55.06 54.17 1fgr s HIS 84 Cb -0.04 -1.28 -0.03 0.00 1.11 0.00 0.00 32.58 32.34 1fgr s HIS 84 CO 0.03 -0.31 0.00 -0.06 -0.85 0.00 0.00 174.74 173.55 1fgr s PHE 85 N 0.51 3.14 -0.75 1.40 0.40 -0.75 -4.89 117.98 117.04 1fgr s PHE 85 Ca -0.15 0.16 -0.27 0.00 -0.60 0.00 0.00 56.93 56.08 1fgr s PHE 85 Cb -0.16 -1.76 0.03 0.00 0.51 0.00 0.00 43.02 41.64 1fgr s PHE 85 CO 0.05 0.46 1.27 -2.00 0.70 0.00 0.00 175.22 175.70 1fgr s GLU 86 N -1.05 3.20 -0.21 0.44 2.12 -1.26 -1.41 118.70 120.54 1fgr s GLU 86 Ca 0.15 -0.32 -0.05 0.00 0.36 0.00 0.00 54.97 55.11 1fgr s GLU 86 Cb -0.11 -4.24 0.07 0.00 0.26 0.00 0.00 34.13 30.11 1fgr s GLU 86 CO 0.04 -2.13 0.12 -0.46 -0.54 0.00 0.00 175.26 172.29 1fgr s TRP 87 N 5.59 0.16 0.43 5.30 -0.11 0.48 -4.75 118.94 126.03 1fgr s TRP 87 Ca 0.35 -0.39 -0.11 0.00 1.22 0.00 0.00 56.10 57.17 1fgr s TRP 87 Cb -0.08 -0.70 -0.06 0.00 -1.50 0.00 0.00 33.47 31.12 1fgr s TRP 87 CO 0.14 -0.61 0.80 0.16 -4.62 0.00 0.00 176.95 172.81 1fgr s ASP 88 N 2.15 6.50 0.61 5.86 1.47 -1.26 -4.35 116.67 127.65 1fgr s ASP 88 Ca 0.04 1.16 0.29 0.00 1.18 0.00 0.00 52.55 55.22 1fgr s ASP 88 Cb -0.16 -2.34 1.49 0.00 -0.34 0.00 0.00 42.92 41.58 1fgr s ASP 88 CO -0.17 -0.44 1.89 1.23 0.68 0.00 0.00 175.17 178.36 1fgr h GLY 89 N 1.09 0.00 2.00 2.12 0.00 -1.94 0.25 103.07 106.60 1fgr h GLY 89 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1fgr h GLY 89 CO 0.63 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.65 1fgr h SER 90 N 0.00 0.00 -0.11 0.19 4.64 -2.04 -2.42 113.55 113.81 1fgr h SER 90 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1fgr h SER 90 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1fgr h SER 90 CO -0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 1fgr n MET 91 N -2.37 1.46 0.00 4.77 2.81 0.88 -4.94 117.12 119.74 1fgr n MET 91 Ca 0.02 -0.69 0.00 0.00 -1.81 0.00 0.00 57.70 55.22 1fgr n MET 91 Cb 0.26 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1fgr n MET 91 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fgr n GLY 92 N 1.00 -0.62 3.56 3.03 0.00 -0.91 -4.36 105.19 106.88 1fgr n GLY 92 Ca 0.15 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 1fgr n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fgr s ILE 93 N 0.00 4.49 0.16 -0.61 -1.09 -1.26 -4.85 121.20 118.04 1fgr s ILE 93 Ca 0.00 -0.13 -0.31 0.00 -2.23 0.00 0.00 60.65 57.98 1fgr s ILE 93 Cb 0.00 -3.03 -0.09 0.00 -1.58 0.00 0.00 42.46 37.76 1fgr s ILE 93 CO 0.00 0.43 1.42 -2.16 -1.23 0.00 0.00 174.94 173.41 1fgr s PRO 94 N 0.70 4.30 0.00 2.79 0.04 -1.26 -0.04 135.00 141.53 1fgr s PRO 94 Ca 0.02 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1fgr s PRO 94 Cb -0.14 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1fgr s PRO 94 CO 0.02 -0.44 0.45 0.41 0.04 0.00 0.00 177.00 177.47 1fgr n GLY 95 N 3.18 -0.65 3.80 0.56 0.00 -0.39 -4.73 105.19 106.96 1fgr n GLY 95 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1fgr n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fgr s ALA 96 N -0.09 -1.72 0.04 4.61 0.00 -1.15 -1.01 121.76 122.44 1fgr s ALA 96 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 51.71 1fgr s ALA 96 Cb 0.00 0.67 0.06 0.00 0.00 0.00 0.00 23.12 23.84 1fgr s ALA 96 CO 0.00 -1.06 0.55 -0.59 0.00 0.00 0.00 175.76 174.67 1fgr s PHE 97 N -2.66 -0.47 0.08 0.00 -0.12 0.03 -0.33 117.98 114.52 1fgr s PHE 97 Ca 0.17 0.56 0.02 0.00 -0.05 0.00 0.00 56.93 57.63 1fgr s PHE 97 Cb -0.01 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1fgr s PHE 97 CO 0.03 -0.66 0.17 0.71 -0.05 0.00 0.00 175.22 175.42 1fgr s TYR 98 N -2.38 3.37 -0.03 3.49 2.02 0.82 -0.95 117.35 123.69 1fgr s TYR 98 Ca -0.06 0.16 -0.02 0.00 -0.37 0.00 0.00 57.07 56.78 1fgr s TYR 98 Cb -0.01 -1.68 0.02 0.00 -0.40 0.00 0.00 41.96 39.89 1fgr s TYR 98 CO -0.01 0.55 0.08 -1.50 -1.57 0.00 0.00 175.55 173.10 1fgr s ILE 99 N -1.51 -0.02 -0.07 2.71 2.07 -0.65 -1.14 121.20 122.60 1fgr s ILE 99 Ca 0.33 0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.66 1fgr s ILE 99 Cb -0.12 -0.13 0.01 0.00 0.13 0.00 0.00 42.46 42.35 1fgr s ILE 99 CO 0.26 0.03 -0.15 -0.54 -1.91 0.00 0.00 174.94 172.62 1fgr s LYS 100 N 0.39 1.93 -0.34 3.50 1.02 -0.24 -3.87 119.74 122.14 1fgr s LYS 100 Ca -0.03 -0.52 -0.10 0.00 0.02 0.00 0.00 55.97 55.35 1fgr s LYS 100 Cb -0.04 -1.57 0.01 0.00 -0.52 0.00 0.00 37.83 35.71 1fgr s LYS 100 CO -0.01 0.08 0.16 1.21 -0.92 0.00 0.00 175.35 175.87 1fgr s ASN 101 N 0.52 5.56 0.00 2.83 2.47 -1.26 -1.73 114.94 123.33 1fgr s ASN 101 Ca -0.14 -0.78 0.26 0.00 0.42 0.00 0.00 52.86 52.62 1fgr s ASN 101 Cb -0.16 -1.99 0.73 0.00 -1.45 0.00 0.00 41.25 38.39 1fgr s ASN 101 CO 0.04 -0.28 1.55 -1.22 -3.72 0.00 0.00 177.10 173.47 1fgr n TYR 102 N 4.96 0.00 -1.72 0.43 4.01 0.69 -0.56 117.16 124.96 1fgr n TYR 102 Ca -0.13 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.30 1fgr n TYR 102 Cb 0.47 -0.12 0.03 0.00 -0.31 0.00 0.00 39.34 39.42 1fgr n TYR 102 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1fgr s MET 103 N -2.50 3.21 0.06 -0.72 -1.94 -1.23 -4.94 119.30 111.24 1fgr s MET 103 Ca 0.24 0.91 -0.17 0.00 -1.71 0.00 0.00 55.69 54.96 1fgr s MET 103 Cb 0.19 -2.03 -0.14 0.00 2.01 0.00 0.00 34.83 34.86 1fgr s MET 103 CO 0.52 -0.88 1.31 1.96 -0.01 0.00 0.00 175.02 177.92 1fgr h GLN 104 N -0.46 0.56 -6.25 2.03 1.08 -1.97 -3.39 115.11 106.71 1fgr h GLN 104 Ca -0.44 -0.37 -0.57 0.00 -1.45 0.00 0.00 58.65 55.82 1fgr h GLN 104 Cb 1.20 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.64 1fgr h GLN 104 CO 0.59 0.99 -0.05 0.08 -0.95 0.00 0.00 178.83 179.48 1fgr s VAL 105 N -3.99 4.78 0.61 -0.54 1.01 -1.26 -4.47 120.40 116.54 1fgr s VAL 105 Ca -0.13 1.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.80 1fgr s VAL 105 Cb 0.07 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1fgr s VAL 105 CO 0.82 0.48 1.08 -1.83 0.00 0.00 0.00 175.10 175.64 1fgr s GLU 106 N -1.32 3.14 0.16 2.72 1.03 -1.26 -4.79 118.70 118.38 1fgr s GLU 106 Ca 0.31 1.29 0.03 0.00 0.03 0.00 0.00 54.97 56.63 1fgr s GLU 106 Cb -0.18 -2.00 -0.05 0.00 -0.80 0.00 0.00 34.13 31.10 1fgr s GLU 106 CO 0.19 -0.97 -0.05 -0.59 -1.33 0.00 0.00 175.26 172.50 1fgr s PHE 107 N -2.38 1.27 -0.39 4.83 -0.12 -1.11 -3.82 117.98 116.27 1fgr s PHE 107 Ca 0.65 -0.87 -0.16 0.00 -0.05 0.00 0.00 56.93 56.51 1fgr s PHE 107 Cb -0.18 -0.69 0.01 0.00 -0.63 0.00 0.00 43.02 41.53 1fgr s PHE 107 CO 0.38 -0.03 0.36 0.12 -0.05 0.00 0.00 175.22 175.99 1fgr s PHE 108 N -3.45 3.21 -0.24 3.49 5.36 0.71 -1.35 117.98 125.70 1fgr s PHE 108 Ca 0.20 -0.35 -0.29 0.00 -0.96 0.00 0.00 56.93 55.53 1fgr s PHE 108 Cb 0.04 -2.71 0.01 0.00 -0.34 0.00 0.00 43.02 40.03 1fgr s PHE 108 CO 0.02 -0.57 1.04 -1.17 -1.46 0.00 0.00 175.22 173.08 1fgr s LEU 109 N 1.92 4.07 -0.17 6.12 2.96 0.26 -0.15 118.68 133.69 1fgr s LEU 109 Ca 0.09 1.33 -0.16 0.00 -0.22 0.00 0.00 54.13 55.17 1fgr s LEU 109 Cb -0.18 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.86 1fgr s LEU 109 CO 0.12 -0.70 0.09 0.11 -1.32 0.00 0.00 176.35 174.65 1fgr h LYS 110 N 7.55 0.00 -2.35 1.98 1.79 -1.10 0.47 116.57 124.90 1fgr h LYS 110 Ca -0.19 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.44 1fgr h LYS 110 Cb 1.06 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.62 1fgr h LYS 110 CO 0.99 0.54 0.48 -1.54 -1.08 0.00 0.00 179.45 178.83 1fgr s SER 111 N -6.27 -0.21 -0.02 0.86 1.04 -0.91 -1.30 113.70 106.89 1fgr s SER 111 Ca -0.20 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 55.90 1fgr s SER 111 Cb 0.03 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1fgr s SER 111 CO 0.41 -0.87 -0.06 -0.22 0.98 0.00 0.00 173.24 173.47 1fgr s LEU 112 N -2.87 1.76 -0.07 2.42 2.96 -0.86 -1.02 118.68 121.00 1fgr s LEU 112 Ca 0.11 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1fgr s LEU 112 Cb -0.01 -0.41 0.02 0.00 0.50 0.00 0.00 46.19 46.29 1fgr s LEU 112 CO 0.01 0.04 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.11 1fgr s THR 113 N 0.23 0.81 -0.09 3.68 2.01 -0.51 -0.68 115.64 121.09 1fgr s THR 113 Ca -0.03 -0.23 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 1fgr s THR 113 Cb -0.07 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 1fgr s THR 113 CO -0.00 0.31 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.42 1fgr s LEU 114 N 1.23 3.19 0.00 4.42 1.43 0.45 -1.17 118.68 128.23 1fgr s LEU 114 Ca -0.05 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1fgr s LEU 114 Cb -0.14 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1fgr s LEU 114 CO -0.02 0.31 0.00 -0.62 0.23 0.00 0.00 176.35 176.25 1fgr n GLU 115 N 2.57 2.91 -0.01 1.70 1.02 -0.90 -0.49 120.64 127.45 1fgr n GLU 115 Ca -0.18 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1fgr n GLU 115 Cb 0.53 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.95 1fgr n GLU 115 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fgr n ALA 116 N -3.00 0.01 0.00 0.62 0.00 -1.26 -4.45 120.51 112.43 1fgr n ALA 116 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1fgr n ALA 116 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1fgr n ALA 116 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1fgr n ILE 117 N 0.03 0.00 -2.10 0.00 3.06 -1.26 -4.97 119.36 114.12 1fgr n ILE 117 Ca 0.00 0.00 -0.38 0.00 -2.50 0.00 0.00 62.75 59.87 1fgr n ILE 117 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1fgr n ILE 117 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1fgr s THR 122 N 0.00 2.74 -0.16 9.51 2.01 -1.26 -5.11 115.64 123.37 1fgr s THR 122 Ca 0.00 0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.60 1fgr s THR 122 Cb 0.00 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.21 1fgr s THR 122 CO 0.00 0.03 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.13 1fgr s ILE 123 N -1.40 1.93 -0.02 1.82 1.01 0.36 -4.99 121.20 119.92 1fgr s ILE 123 Ca 0.63 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 60.44 1fgr s ILE 123 Cb -0.34 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 1fgr s ILE 123 CO 0.42 0.52 -0.10 -0.13 0.00 0.00 0.00 174.94 175.65 1fgr s ARG 124 N 1.17 2.50 -0.14 2.79 0.52 -1.26 -0.41 118.95 124.11 1fgr s ARG 124 Ca 0.01 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1fgr s ARG 124 Cb -0.14 -2.44 0.03 0.00 0.52 0.00 0.00 34.95 32.92 1fgr s ARG 124 CO -0.09 0.61 -0.11 -0.06 0.02 0.00 0.00 175.30 175.68 1fgr s PHE 125 N -0.89 1.94 -0.35 -0.53 0.40 0.14 -1.16 117.98 117.52 1fgr s PHE 125 Ca 0.14 -1.10 -0.12 0.00 -0.60 0.00 0.00 56.93 55.26 1fgr s PHE 125 Cb -0.11 -1.46 0.00 0.00 0.51 0.00 0.00 43.02 41.96 1fgr s PHE 125 CO 0.04 -0.62 0.21 0.14 0.70 0.00 0.00 175.22 175.69 1fgr s VAL 126 N 1.56 4.90 -0.15 -0.44 -7.23 -1.26 -2.02 120.40 115.75 1fgr s VAL 126 Ca 0.04 -0.49 -0.11 0.00 -1.81 0.00 0.00 61.98 59.60 1fgr s VAL 126 Cb -0.13 -3.59 -0.07 0.00 0.56 0.00 0.00 36.38 33.15 1fgr s VAL 126 CO -0.09 -0.08 -0.26 0.00 -0.31 0.00 0.00 175.10 174.36 1fgr n ASN 128 N -4.04 -4.39 -3.79 0.00 3.02 0.03 -4.96 115.26 101.14 1fgr n ASN 128 Ca -0.25 -1.21 -0.13 0.00 -0.03 0.00 0.00 54.58 52.96 1fgr n ASN 128 Cb 0.58 -1.75 -0.11 0.00 -0.61 0.00 0.00 39.78 37.89 1fgr n ASN 128 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1fgr s SER 129 N -3.39 -0.25 0.15 6.41 0.15 -0.46 -4.97 113.70 111.34 1fgr s SER 129 Ca 0.37 0.43 -0.30 0.00 0.70 0.00 0.00 55.95 57.16 1fgr s SER 129 Cb -0.20 0.50 -0.07 0.00 -1.71 0.00 0.00 66.02 64.53 1fgr s SER 129 CO 0.95 -0.15 1.14 0.26 1.20 0.00 0.00 173.24 176.63 1fgr s TRP 130 N -0.14 3.53 -0.29 3.44 0.52 -1.26 -0.58 118.94 124.16 1fgr s TRP 130 Ca -0.03 1.50 0.03 0.00 0.02 0.00 0.00 56.10 57.62 1fgr s TRP 130 Cb -0.03 -3.33 0.07 0.00 -1.15 0.00 0.00 33.47 29.03 1fgr s TRP 130 CO 0.01 -0.86 -0.05 0.08 0.02 0.00 0.00 176.95 176.15 1fgr s VAL 131 N 0.14 2.30 0.87 4.03 1.01 -0.46 -4.93 120.40 123.36 1fgr s VAL 131 Ca 0.52 -1.80 -0.12 0.00 0.00 0.00 0.00 61.98 60.58 1fgr s VAL 131 Cb -0.30 -2.45 0.15 0.00 0.00 0.00 0.00 36.38 33.79 1fgr s VAL 131 CO 0.34 -0.19 1.21 -0.31 0.00 0.00 0.00 175.10 176.14 1fgr s TYR 132 N 1.07 1.95 0.28 5.22 1.51 -1.26 -2.73 117.35 123.39 1fgr s TYR 132 Ca -0.03 0.29 -0.30 0.00 -1.01 0.00 0.00 57.07 56.02 1fgr s TYR 132 Cb -0.20 -3.72 -0.12 0.00 -0.11 0.00 0.00 41.96 37.81 1fgr s TYR 132 CO -0.05 -2.21 1.51 -1.71 -1.11 0.00 0.00 175.55 171.98 1fgr n ASN 133 N -3.44 3.43 -0.21 2.29 2.85 -1.26 -4.39 115.26 114.54 1fgr n ASN 133 Ca 0.13 1.15 0.30 0.00 -0.11 0.00 0.00 54.58 56.06 1fgr n ASN 133 Cb 0.60 -1.53 0.73 0.00 1.24 0.00 0.00 39.78 40.81 1fgr n ASN 133 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1fgr h THR 134 N 3.19 0.46 0.00 -0.44 1.03 -1.12 -0.33 112.91 115.69 1fgr h THR 134 Ca -0.46 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 1fgr h THR 134 Cb 1.25 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 1fgr h THR 134 CO 0.76 0.00 0.00 0.11 -0.01 0.00 0.00 175.52 176.38 1fgr h LYS 135 N 0.00 0.00 0.00 0.00 1.57 -1.89 -2.85 116.57 113.40 1fgr h LYS 135 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1fgr h LYS 135 Cb 1.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.20 1fgr h LYS 135 CO -0.00 0.00 -0.27 1.28 -0.57 0.00 0.00 179.45 179.88 1fgr n LEU 136 N -2.63 0.51 -4.77 2.94 4.77 -0.13 -4.85 117.00 112.83 1fgr n LEU 136 Ca 0.01 0.35 -0.36 0.00 -0.03 0.00 0.00 56.01 55.98 1fgr n LEU 136 Cb 0.26 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 40.96 1fgr n LEU 136 CO 0.23 -0.04 -0.19 -0.31 -1.33 0.00 0.00 177.39 175.76 1fgr s TYR 137 N -3.07 3.45 0.20 -1.77 2.02 -1.08 -4.98 117.35 112.12 1fgr s TYR 137 Ca 0.10 0.37 -0.06 0.00 -0.37 0.00 0.00 57.07 57.11 1fgr s TYR 137 Cb 0.15 -2.07 0.14 0.00 -0.40 0.00 0.00 41.96 39.78 1fgr s TYR 137 CO 0.63 0.43 1.64 -0.22 -1.57 0.00 0.00 175.55 176.46 1fgr h LYS 138 N 6.09 0.92 -4.85 -0.62 3.64 -1.88 -3.44 116.57 116.42 1fgr h LYS 138 Ca -0.45 -0.33 -0.31 0.00 -1.27 0.00 0.00 60.65 58.29 1fgr h LYS 138 Cb 1.18 -0.06 -0.20 0.00 -0.41 0.00 0.00 32.23 32.73 1fgr h LYS 138 CO 0.69 0.98 -0.74 -1.54 -2.27 0.00 0.00 179.45 176.57 1fgr s SER 139 N -6.68 1.21 0.31 4.20 1.04 -1.26 -5.13 113.70 107.39 1fgr s SER 139 Ca -0.10 -0.66 -0.29 0.00 0.48 0.00 0.00 55.95 55.37 1fgr s SER 139 Cb 0.13 0.01 -0.11 0.00 0.10 0.00 0.00 66.02 66.16 1fgr s SER 139 CO 0.85 -0.21 1.49 -0.69 0.98 0.00 0.00 173.24 175.66 1fgr s VAL 140 N -1.76 2.30 0.22 5.02 1.01 -1.26 -4.93 120.40 121.00 1fgr s VAL 140 Ca -0.03 0.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 1fgr s VAL 140 Cb -0.07 -3.17 -0.11 0.00 0.00 0.00 0.00 36.38 33.02 1fgr s VAL 140 CO 0.00 0.05 1.62 -0.13 0.00 0.00 0.00 175.10 176.64 1fgr s ARG 141 N -1.09 4.17 -0.01 2.72 1.81 -1.25 -4.90 118.95 120.40 1fgr s ARG 141 Ca 0.57 2.49 0.07 0.00 -1.72 0.00 0.00 55.73 57.14 1fgr s ARG 141 Cb -0.45 -3.09 -0.02 0.00 -0.45 0.00 0.00 34.95 30.94 1fgr s ARG 141 CO 0.52 -0.65 -0.22 -1.50 -0.68 0.00 0.00 175.30 172.77 1fgr s ILE 142 N 0.78 1.77 -0.00 1.52 2.07 -1.26 -1.63 121.20 124.44 1fgr s ILE 142 Ca 0.69 -1.00 0.04 0.00 -1.41 0.00 0.00 60.65 58.97 1fgr s ILE 142 Cb -0.47 -1.48 -0.01 0.00 0.13 0.00 0.00 42.46 40.64 1fgr s ILE 142 CO 0.36 0.46 -0.13 -0.36 -1.91 0.00 0.00 174.94 173.36 1fgr s PHE 143 N -0.57 1.15 0.19 3.50 0.08 -0.13 -4.98 117.98 117.21 1fgr s PHE 143 Ca 0.09 -0.23 0.05 0.00 0.12 0.00 0.00 56.93 56.95 1fgr s PHE 143 Cb -0.09 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.60 1fgr s PHE 143 CO -0.00 -0.01 0.23 -0.06 -0.10 0.00 0.00 175.22 175.27 1fgr s PHE 144 N -0.36 3.29 0.86 0.36 0.40 -1.26 -0.79 117.98 120.48 1fgr s PHE 144 Ca 0.04 0.01 -0.11 0.00 -0.60 0.00 0.00 56.93 56.27 1fgr s PHE 144 Cb -0.05 -1.55 0.11 0.00 0.51 0.00 0.00 43.02 42.04 1fgr s PHE 144 CO -0.00 0.51 1.09 0.00 0.70 0.00 0.00 175.22 177.52 1fgr s ALA 145 N -1.86 1.76 -0.55 5.36 0.00 -0.18 -4.46 121.76 121.83 1fgr s ALA 145 Ca 0.33 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1fgr s ALA 145 Cb -0.10 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1fgr s ALA 145 CO 0.26 -2.19 0.48 0.27 0.00 0.00 0.00 175.76 174.58 1fgr n ASN 146 N -3.80 1.27 -4.83 0.00 6.94 -0.31 -4.86 115.26 109.66 1fgr n ASN 146 Ca 0.08 -1.33 -0.33 0.00 -0.02 0.00 0.00 54.58 52.98 1fgr n ASN 146 Cb 0.54 -0.33 -0.06 0.00 -2.36 0.00 0.00 39.78 37.57 1fgr n ASN 146 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1fgr s HIS 147 N -0.40 3.35 -0.15 -2.53 3.76 -1.26 -1.55 115.29 116.51 1fgr s HIS 147 Ca 0.00 1.46 -0.03 0.00 -0.15 0.00 0.00 55.06 56.34 1fgr s HIS 147 Cb 0.00 -2.74 -0.02 0.00 1.11 0.00 0.00 32.58 30.93 1fgr s HIS 147 CO 0.00 -0.08 -0.06 0.99 -0.85 0.00 0.00 174.74 174.74 1fgr s THR 148 N -2.18 3.72 -0.07 1.30 2.01 -1.26 -4.79 115.64 114.37 1fgr s THR 148 Ca 0.59 -0.42 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 1fgr s THR 148 Cb -0.09 -2.62 0.04 0.00 0.01 0.00 0.00 72.50 69.84 1fgr s THR 148 CO 0.17 0.50 0.15 -0.31 -0.69 0.00 0.00 174.62 174.44 1fgr s TYR 149 N 0.34 -0.17 0.87 4.92 2.02 -0.08 -4.95 117.35 120.30 1fgr s TYR 149 Ca -0.05 0.55 -0.11 0.00 -0.37 0.00 0.00 57.07 57.08 1fgr s TYR 149 Cb -0.15 -0.19 0.12 0.00 -0.40 0.00 0.00 41.96 41.34 1fgr s TYR 149 CO 0.04 -0.22 1.10 0.14 -1.57 0.00 0.00 175.55 175.03 1fgr s VAL 150 N 1.82 2.71 0.19 0.71 -7.23 -1.26 -3.85 120.40 113.48 1fgr s VAL 150 Ca -0.02 0.23 -0.21 0.00 -1.81 0.00 0.00 61.98 60.17 1fgr s VAL 150 Cb -0.12 -2.55 0.12 0.00 0.56 0.00 0.00 36.38 34.40 1fgr s VAL 150 CO -0.06 -0.30 1.59 -0.65 -0.31 0.00 0.00 175.10 175.37 1fgr h PRO 151 N -1.55 -0.16 0.00 4.82 0.11 -1.96 -0.83 132.00 132.43 1fgr h PRO 151 Ca -0.46 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1fgr h PRO 151 Cb 1.26 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1fgr h PRO 151 CO 0.49 -0.11 0.00 -1.13 -0.21 0.00 0.00 178.00 177.04 1fgr n SER 152 N -5.43 0.00 -0.43 -2.05 3.41 -1.26 -1.84 113.62 106.01 1fgr n SER 152 Ca 0.04 0.15 0.06 0.00 -0.26 0.00 0.00 58.87 58.86 1fgr n SER 152 Cb 0.35 -0.24 0.04 0.00 -0.26 0.00 0.00 64.21 64.10 1fgr n SER 152 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fgr n GLU 153 N -1.24 1.00 -1.99 4.33 -0.58 -0.33 -5.00 120.64 116.83 1fgr n GLU 153 Ca 0.03 -1.09 -0.42 0.00 -0.42 0.00 0.00 57.16 55.26 1fgr n GLU 153 Cb 0.04 -1.21 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 1fgr n GLU 153 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1fgr s THR 154 N -1.13 2.78 0.26 2.62 2.01 -0.77 -4.89 115.64 116.52 1fgr s THR 154 Ca 0.13 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.39 1fgr s THR 154 Cb 0.10 -3.36 -0.13 0.00 0.01 0.00 0.00 72.50 69.12 1fgr s THR 154 CO 0.19 0.05 1.37 -2.65 -0.69 0.00 0.00 174.62 172.89 1fgr n PRO 155 N 3.85 2.04 -0.34 4.92 -0.02 -1.26 -4.77 135.00 139.41 1fgr n PRO 155 Ca 0.13 0.72 0.20 0.00 -2.02 0.00 0.00 63.50 62.53 1fgr n PRO 155 Cb 0.39 -2.36 0.42 0.00 -0.02 0.00 0.00 33.50 31.94 1fgr n PRO 155 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fgr h ALA 156 N 3.81 1.87 0.00 3.55 0.00 -1.91 0.55 119.26 127.14 1fgr h ALA 156 Ca -0.45 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1fgr h ALA 156 Cb 1.28 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1fgr h ALA 156 CO 0.73 -0.40 0.00 -2.30 0.00 0.00 0.00 179.25 177.28 1fgr n PRO 157 N -4.93 0.08 0.00 0.00 -0.02 -1.26 -2.85 135.00 126.02 1fgr n PRO 157 Ca 0.29 0.21 0.05 0.00 -2.02 0.00 0.00 63.50 62.02 1fgr n PRO 157 Cb 0.84 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.80 1fgr n PRO 157 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1fgr n LEU 158 N -1.42 0.88 -0.12 2.45 4.77 0.17 -0.53 117.00 123.21 1fgr n LEU 158 Ca 0.05 -0.66 -0.05 0.00 -0.03 0.00 0.00 56.01 55.33 1fgr n LEU 158 Cb 0.15 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1fgr n LEU 158 CO 0.13 0.19 0.79 0.58 -1.33 0.00 0.00 177.39 177.74 1fgr h VAL 159 N 0.64 0.61 -0.35 4.08 2.07 -1.36 0.10 116.25 122.03 1fgr h VAL 159 Ca 0.00 -0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 1fgr h VAL 159 Cb 0.29 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1fgr h VAL 159 CO 0.00 0.00 -0.39 -1.28 0.02 0.00 0.00 177.57 175.92 1fgr h SER 160 N 0.00 0.89 -0.38 0.57 0.87 -1.84 -2.31 113.55 111.35 1fgr h SER 160 Ca 0.19 -0.41 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 1fgr h SER 160 Cb 0.29 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1fgr h SER 160 CO -0.41 1.17 0.12 1.88 -0.53 0.00 0.00 176.83 179.07 1fgr h TYR 161 N 0.69 0.67 -0.22 2.24 0.05 -1.73 0.55 116.97 119.21 1fgr h TYR 161 Ca 0.06 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 1fgr h TYR 161 Cb 0.96 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 1fgr h TYR 161 CO 0.06 0.57 0.01 -0.09 -1.05 0.00 0.00 178.16 177.65 1fgr h ARG 162 N 0.65 0.38 -0.29 4.88 2.43 -0.79 -1.93 114.38 119.70 1fgr h ARG 162 Ca 0.15 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 59.06 1fgr h ARG 162 Cb 0.22 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1fgr h ARG 162 CO -0.01 0.55 -0.39 1.49 -1.51 0.00 0.00 179.97 180.11 1fgr h GLU 163 N 0.16 0.69 -0.44 0.20 4.57 -1.09 -2.87 114.58 115.79 1fgr h GLU 163 Ca 0.06 -0.35 -0.08 0.00 -1.18 0.00 0.00 59.36 57.82 1fgr h GLU 163 Cb 0.38 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1fgr h GLU 163 CO 0.01 0.96 -0.04 0.93 -1.18 0.00 0.00 179.01 179.70 1fgr h GLU 164 N 0.57 0.74 -0.58 1.92 4.39 -0.85 -1.14 114.58 119.64 1fgr h GLU 164 Ca 0.05 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.46 1fgr h GLU 164 Cb 0.92 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1fgr h GLU 164 CO 0.08 0.78 0.05 1.49 -1.16 0.00 0.00 179.01 180.26 1fgr h GLU 165 N 0.69 0.96 -0.49 2.33 4.57 -1.26 -0.78 114.58 120.60 1fgr h GLU 165 Ca 0.13 -0.26 -0.08 0.00 -1.18 0.00 0.00 59.36 57.97 1fgr h GLU 165 Cb 0.48 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1fgr h GLU 165 CO 0.02 0.92 0.00 -0.07 -1.18 0.00 0.00 179.01 178.70 1fgr h LEU 166 N 0.90 0.84 -1.15 1.64 3.38 -1.23 -1.38 115.31 118.31 1fgr h LEU 166 Ca 0.18 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1fgr h LEU 166 Cb 0.45 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1fgr h LEU 166 CO 0.02 0.94 0.22 0.11 0.09 0.00 0.00 178.44 179.82 1fgr h LYS 167 N 0.72 0.82 -0.49 1.13 1.57 -0.96 -1.72 116.57 117.64 1fgr h LYS 167 Ca 0.14 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1fgr h LYS 167 Cb 0.51 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1fgr h LYS 167 CO 0.02 0.68 0.20 1.03 -0.57 0.00 0.00 179.45 180.81 1fgr h SER 168 N 0.81 0.66 0.35 0.86 0.87 -0.74 -2.58 113.55 113.78 1fgr h SER 168 Ca 0.19 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1fgr h SER 168 Cb 0.17 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1fgr h SER 168 CO -0.02 0.64 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.71 1fgr h LEU 169 N 0.64 0.00 0.00 2.23 3.38 -0.71 -2.89 115.31 117.95 1fgr h LEU 169 Ca 0.16 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1fgr h LEU 169 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1fgr h LEU 169 CO -0.01 0.15 -0.73 0.03 0.09 0.00 0.00 178.44 177.97 1fgr h ARG 170 N 0.00 0.00 0.00 1.13 3.08 -0.95 0.18 114.38 117.82 1fgr h ARG 170 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fgr h ARG 170 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1fgr h ARG 170 CO 0.02 0.49 0.00 0.41 -1.07 0.00 0.00 179.97 179.82 1fgr n GLY 171 N 1.27 0.05 0.02 0.04 0.00 -1.05 -4.38 105.19 101.14 1fgr n GLY 171 Ca -0.01 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 45.07 1fgr n GLY 171 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1fgr n ASN 172 N -2.41 2.01 -0.00 1.61 0.23 -1.26 -4.97 115.26 110.47 1fgr n ASN 172 Ca 0.00 -2.19 -0.00 0.00 -0.53 0.00 0.00 54.58 51.86 1fgr n ASN 172 Cb 0.00 -0.09 -0.00 0.00 -2.08 0.00 0.00 39.78 37.61 1fgr n ASN 172 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1fgr n GLY 173 N -0.67 0.47 3.22 4.83 0.00 -1.26 -5.03 105.19 106.75 1fgr n GLY 173 Ca 0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1fgr n GLY 173 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fgr s THR 174 N -1.95 0.66 0.00 2.61 -4.23 -1.26 -5.11 115.64 106.36 1fgr s THR 174 Ca 0.00 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1fgr s THR 174 Cb 0.00 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1fgr s THR 174 CO 0.00 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 1fgr n GLY 175 N -0.18 0.76 3.67 3.99 0.00 -1.26 -4.94 105.19 107.23 1fgr n GLY 175 Ca -0.08 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 1fgr n GLY 175 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fgr s GLU 176 N -3.87 4.31 0.32 1.61 2.12 -1.22 -4.43 118.70 117.54 1fgr s GLU 176 Ca 0.00 1.38 -0.28 0.00 0.36 0.00 0.00 54.97 56.43 1fgr s GLU 176 Cb 0.00 -3.61 -0.10 0.00 0.26 0.00 0.00 34.13 30.68 1fgr s GLU 176 CO 0.00 -0.53 1.16 1.03 -0.54 0.00 0.00 175.26 176.38 1fgr s ARG 177 N 2.82 4.44 0.27 4.30 1.81 -0.65 -5.03 118.95 126.92 1fgr s ARG 177 Ca 0.46 1.90 0.09 0.00 -1.72 0.00 0.00 55.73 56.45 1fgr s ARG 177 Cb -0.16 -3.04 -0.04 0.00 -0.45 0.00 0.00 34.95 31.26 1fgr s ARG 177 CO 0.10 0.00 0.08 0.15 -0.68 0.00 0.00 175.30 174.96 1fgr s LYS 178 N -1.74 2.51 0.27 3.54 -0.14 -1.26 -4.90 119.74 118.02 1fgr s LYS 178 Ca 0.48 -1.31 -0.03 0.00 -1.36 0.00 0.00 55.97 53.75 1fgr s LYS 178 Cb -0.33 -2.30 0.56 0.00 -1.68 0.00 0.00 37.83 34.08 1fgr s LYS 178 CO 0.43 0.34 1.63 1.49 -0.76 0.00 0.00 175.35 178.47 1fgr h GLU 179 N 1.70 0.11 -0.00 1.68 4.81 -1.96 -0.25 114.58 120.67 1fgr h GLU 179 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1fgr h GLU 179 Cb 1.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1fgr h GLU 179 CO 0.61 0.07 -0.07 2.48 -0.73 0.00 0.00 179.01 181.37 1fgr n TYR 180 N -5.34 0.00 -2.11 0.92 0.18 -1.26 -4.12 117.16 105.43 1fgr n TYR 180 Ca 0.17 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.60 1fgr n TYR 180 Cb 0.58 -0.14 0.02 0.00 -0.38 0.00 0.00 39.34 39.42 1fgr n TYR 180 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1fgr s ASP 181 N -2.35 5.43 -0.39 9.48 1.01 -0.11 -4.73 116.67 125.01 1fgr s ASP 181 Ca 0.33 2.26 0.11 0.00 0.71 0.00 0.00 52.55 55.96 1fgr s ASP 181 Cb 0.20 -2.59 0.43 0.00 1.01 0.00 0.00 42.92 41.98 1fgr s ASP 181 CO 0.44 -1.42 1.03 0.54 0.21 0.00 0.00 175.17 175.97 1fgr n ARG 182 N -1.52 2.43 -3.95 8.23 1.74 -1.26 -1.18 116.66 121.15 1fgr n ARG 182 Ca 0.12 -3.97 -0.35 0.00 -0.77 0.00 0.00 57.85 52.88 1fgr n ARG 182 Cb 0.50 -1.82 -0.12 0.00 -1.02 0.00 0.00 32.46 30.00 1fgr n ARG 182 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1fgr s ILE 183 N -4.45 4.11 -0.24 0.55 1.01 -1.26 -4.44 121.20 116.49 1fgr s ILE 183 Ca 0.39 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.72 1fgr s ILE 183 Cb 0.42 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 1fgr s ILE 183 CO -0.09 0.40 0.07 -0.31 0.00 0.00 0.00 174.94 175.01 1fgr s TYR 184 N 1.18 3.10 0.31 3.97 1.51 0.63 -4.62 117.35 123.43 1fgr s TYR 184 Ca 0.04 -0.36 -0.13 0.00 -1.01 0.00 0.00 57.07 55.61 1fgr s TYR 184 Cb -0.14 -2.21 0.02 0.00 -0.11 0.00 0.00 41.96 39.51 1fgr s TYR 184 CO 0.02 -0.29 0.60 0.34 -1.11 0.00 0.00 175.55 175.11 1fgr s ASP 185 N 1.45 0.10 0.24 2.29 -1.08 -1.26 -4.52 116.67 113.88 1fgr s ASP 185 Ca 0.06 -1.03 0.07 0.00 -0.52 0.00 0.00 52.55 51.13 1fgr s ASP 185 Cb -0.15 0.70 -0.04 0.00 -1.46 0.00 0.00 42.92 41.97 1fgr s ASP 185 CO 0.04 -1.35 0.13 -0.31 0.52 0.00 0.00 175.17 174.20 1fgr s TYR 186 N -3.39 3.01 0.11 -5.34 1.51 -1.26 -1.06 117.35 110.93 1fgr s TYR 186 Ca 0.20 -0.12 -0.25 0.00 -1.01 0.00 0.00 57.07 55.88 1fgr s TYR 186 Cb -0.03 -1.37 0.08 0.00 -0.11 0.00 0.00 41.96 40.53 1fgr s TYR 186 CO 0.11 0.54 0.77 0.34 -1.11 0.00 0.00 175.55 176.21 1fgr s ASP 187 N -3.64 -0.41 0.73 2.29 -1.08 -0.52 -4.44 116.67 109.60 1fgr s ASP 187 Ca 0.32 -0.11 -0.08 0.00 -0.52 0.00 0.00 52.55 52.16 1fgr s ASP 187 Cb -0.08 0.51 0.07 0.00 -1.46 0.00 0.00 42.92 41.97 1fgr s ASP 187 CO 0.23 -0.86 1.05 0.68 0.52 0.00 0.00 175.17 176.79 1fgr s VAL 188 N -3.46 2.22 -1.27 1.11 -7.23 -1.26 -1.01 120.40 109.50 1fgr s VAL 188 Ca 0.05 -0.24 -0.15 0.00 -1.81 0.00 0.00 61.98 59.84 1fgr s VAL 188 Cb -0.02 -2.98 0.12 0.00 0.56 0.00 0.00 36.38 34.07 1fgr s VAL 188 CO -0.07 0.00 1.66 -1.22 -0.31 0.00 0.00 175.10 175.16 1fgr n TYR 189 N -3.02 4.50 -0.64 2.82 4.02 -0.49 -4.56 117.16 119.79 1fgr n TYR 189 Ca 0.09 -3.08 0.07 0.00 -0.01 0.00 0.00 57.90 54.96 1fgr n TYR 189 Cb 0.60 -2.35 0.15 0.00 -0.02 0.00 0.00 39.34 37.73 1fgr n TYR 189 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1fgr n ASN 190 N 6.41 2.90 -0.51 7.72 6.94 -1.26 -1.99 115.26 135.46 1fgr n ASN 190 Ca 0.43 -2.61 0.06 0.00 -0.02 0.00 0.00 54.58 52.43 1fgr n ASN 190 Cb 0.43 -0.34 0.15 0.00 -2.36 0.00 0.00 39.78 37.66 1fgr n ASN 190 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1fgr n ASP 191 N -0.53 2.93 -0.01 0.53 5.75 -1.26 -0.97 116.55 122.99 1fgr n ASP 191 Ca 0.14 -2.42 -0.14 0.00 -0.01 0.00 0.00 54.79 52.35 1fgr n ASP 191 Cb 0.60 -0.30 -0.14 0.00 -1.03 0.00 0.00 41.12 40.25 1fgr n ASP 191 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1fgr n LEU 192 N -0.22 1.67 -4.87 -2.12 4.77 -1.26 -4.92 117.00 110.04 1fgr n LEU 192 Ca 0.13 0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 56.13 1fgr n LEU 192 Cb 0.55 -0.41 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1fgr n LEU 192 CO 0.07 0.60 0.75 -0.83 -1.33 0.00 0.00 177.39 176.66 1fgr s GLY 193 N -5.33 1.62 -0.41 -0.72 0.00 -1.26 -1.09 107.32 100.13 1fgr s GLY 193 Ca -0.13 -0.39 0.11 0.00 0.00 0.00 0.00 44.72 44.31 1fgr s GLY 193 CO 0.80 0.02 0.76 -2.01 0.00 0.00 0.00 173.10 172.67 1fgr n ASN 194 N -3.17 1.47 0.09 1.64 2.85 -0.04 -4.89 115.26 113.20 1fgr n ASN 194 Ca 0.07 -3.12 0.16 0.00 -0.11 0.00 0.00 54.58 51.58 1fgr n ASN 194 Cb 0.58 -0.61 0.67 0.00 1.24 0.00 0.00 39.78 41.66 1fgr n ASN 194 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1fgr h PRO 195 N 3.04 0.00 0.00 1.20 0.13 -1.71 -1.76 132.00 132.90 1fgr h PRO 195 Ca 0.10 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.19 1fgr h PRO 195 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1fgr h PRO 195 CO 0.56 0.00 -0.20 -0.44 -0.23 0.00 0.00 178.00 177.68 1fgr h ASP 196 N 0.00 0.00 0.40 1.44 5.19 -1.95 -2.83 116.42 118.67 1fgr h ASP 196 Ca 0.16 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.26 1fgr h ASP 196 Cb 0.65 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 1fgr h ASP 196 CO -0.00 0.20 -1.61 0.50 -3.12 0.00 0.00 179.24 175.21 1fgr h LYS 197 N 0.00 0.25 -1.45 3.56 3.64 -1.76 -3.49 116.57 117.32 1fgr h LYS 197 Ca -0.00 -0.42 0.10 0.00 -1.27 0.00 0.00 60.65 59.06 1fgr h LYS 197 Cb 0.52 0.16 -0.27 0.00 -0.41 0.00 0.00 32.23 32.23 1fgr h LYS 197 CO 0.03 1.10 0.59 0.45 -2.27 0.00 0.00 179.45 179.34 1fgr s SER 198 N -6.95 -0.33 0.55 4.20 0.15 -1.07 -5.00 113.70 105.26 1fgr s SER 198 Ca -0.11 0.56 0.28 0.00 0.70 0.00 0.00 55.95 57.38 1fgr s SER 198 Cb 0.07 0.54 1.59 0.00 -1.71 0.00 0.00 66.02 66.50 1fgr s SER 198 CO 0.84 -0.16 2.14 -0.33 1.20 0.00 0.00 173.24 176.93 1fgr h GLU 199 N 3.48 0.00 0.00 5.44 5.08 -1.87 -0.54 114.58 126.17 1fgr h GLU 199 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1fgr h GLU 199 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1fgr h GLU 199 CO 0.18 0.07 0.00 0.87 -1.00 0.00 0.00 179.01 179.13 1fgr h LYS 200 N 0.00 0.00 -0.64 2.33 1.57 -1.93 -2.36 116.57 115.54 1fgr h LYS 200 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1fgr h LYS 200 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1fgr h LYS 200 CO 0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.17 1fgr n LEU 201 N -2.84 3.67 -4.76 2.94 4.77 -0.21 -4.93 117.00 115.64 1fgr n LEU 201 Ca 0.01 -1.79 -0.39 0.00 -0.03 0.00 0.00 56.01 53.81 1fgr n LEU 201 Cb 0.27 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1fgr n LEU 201 CO 0.25 0.90 0.76 0.00 -1.33 0.00 0.00 177.39 177.96 1fgr s ALA 202 N -1.15 3.31 0.03 -1.18 0.00 -0.89 -0.86 121.76 121.01 1fgr s ALA 202 Ca 0.45 0.81 0.02 0.00 0.00 0.00 0.00 51.96 53.24 1fgr s ALA 202 Cb 0.24 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 1fgr s ALA 202 CO 0.32 -0.13 -0.06 1.03 0.00 0.00 0.00 175.76 176.92 1fgr s ARG 203 N -1.71 0.45 0.45 0.00 1.81 -1.26 -4.94 118.95 113.75 1fgr s ARG 203 Ca 0.48 -0.62 -0.24 0.00 -1.72 0.00 0.00 55.73 53.63 1fgr s ARG 203 Cb -0.28 -0.22 -0.07 0.00 -0.45 0.00 0.00 34.95 33.92 1fgr s ARG 203 CO 0.36 0.04 1.27 -1.25 -0.68 0.00 0.00 175.30 175.04 1fgr s PRO 204 N -1.28 3.74 0.04 3.54 0.04 -1.26 -4.76 135.00 135.06 1fgr s PRO 204 Ca -0.09 2.06 -0.31 0.00 0.04 0.00 0.00 61.00 62.70 1fgr s PRO 204 Cb -0.08 -2.55 -0.06 0.00 0.04 0.00 0.00 34.50 31.85 1fgr s PRO 204 CO 0.00 -0.65 1.31 0.08 0.04 0.00 0.00 177.00 177.78 1fgr s VAL 205 N -1.35 3.76 -0.30 -0.36 1.01 -1.26 -4.92 120.40 116.97 1fgr s VAL 205 Ca 0.62 1.22 -0.11 0.00 0.00 0.00 0.00 61.98 63.70 1fgr s VAL 205 Cb -0.36 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1fgr s VAL 205 CO 0.44 0.05 0.19 -0.76 0.00 0.00 0.00 175.10 175.03 1fgr s LEU 206 N 1.60 4.15 0.00 3.92 1.43 -0.84 -4.82 118.68 124.12 1fgr s LEU 206 Ca 0.62 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1fgr s LEU 206 Cb -0.32 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1fgr s LEU 206 CO 0.28 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1fgr n GLY 207 N 5.05 3.05 1.72 -3.19 0.00 0.15 -1.40 105.19 110.57 1fgr n GLY 207 Ca -0.14 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1fgr n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fgr n GLY 208 N 0.12 0.70 3.17 -0.02 0.00 -1.26 -4.85 105.19 103.05 1fgr n GLY 208 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1fgr n GLY 208 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fgr s SER 209 N -2.30 0.26 0.32 1.61 1.04 -1.26 -5.03 113.70 108.34 1fgr s SER 209 Ca 0.00 -0.82 0.16 0.00 0.48 0.00 0.00 55.95 55.77 1fgr s SER 209 Cb 0.00 0.29 0.39 0.00 0.10 0.00 0.00 66.02 66.80 1fgr s SER 209 CO 0.00 -0.69 1.59 0.77 0.98 0.00 0.00 173.24 175.89 1fgr h SER 210 N 2.89 0.00 -0.15 7.02 4.64 -1.97 -2.81 113.55 123.17 1fgr h SER 210 Ca -0.34 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.91 1fgr h SER 210 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1fgr h SER 210 CO 0.59 0.47 -0.18 0.74 -0.87 0.00 0.00 176.83 177.58 1fgr h THR 211 N 0.00 1.35 -2.50 2.95 2.02 -2.00 -3.38 112.91 111.35 1fgr h THR 211 Ca -0.00 -1.37 -0.60 0.00 0.77 0.00 0.00 66.41 65.20 1fgr h THR 211 Cb 1.14 1.90 -0.41 0.00 -1.74 0.00 0.00 68.15 69.04 1fgr h THR 211 CO 0.06 0.41 -0.72 0.49 0.37 0.00 0.00 175.52 176.12 1fgr n PHE 212 N -4.51 2.19 -2.23 3.16 3.72 -1.19 -4.88 117.46 113.73 1fgr n PHE 212 Ca -0.06 -3.99 -0.34 0.00 -0.05 0.00 0.00 57.45 53.01 1fgr n PHE 212 Cb 0.39 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1fgr n PHE 212 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1fgr s PRO 213 N -1.54 3.37 -0.19 -1.08 0.04 -1.06 0.30 135.00 134.84 1fgr s PRO 213 Ca 0.33 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 1fgr s PRO 213 Cb 0.07 -2.02 0.14 0.00 0.04 0.00 0.00 34.50 32.73 1fgr s PRO 213 CO -0.11 -0.81 1.07 -0.47 0.04 0.00 0.00 177.00 176.72 1fgr s TYR 214 N -1.98 -0.31 0.65 0.56 5.04 -1.26 -4.44 117.35 115.61 1fgr s TYR 214 Ca 0.70 0.54 -0.17 0.00 -2.44 0.00 0.00 57.07 55.69 1fgr s TYR 214 Cb -0.21 0.46 -0.01 0.00 0.35 0.00 0.00 41.96 42.55 1fgr s TYR 214 CO 0.29 -0.28 1.22 -2.14 -1.34 0.00 0.00 175.55 173.30 1fgr s PRO 215 N -1.04 2.62 0.66 4.97 0.02 -1.26 -4.64 135.00 136.32 1fgr s PRO 215 Ca 0.00 1.83 -0.09 0.00 0.02 0.00 0.00 61.00 62.76 1fgr s PRO 215 Cb -0.01 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.64 1fgr s PRO 215 CO -0.00 -1.48 1.02 1.03 -0.33 0.00 0.00 177.00 177.23 1fgr s ARG 216 N -3.56 2.92 0.43 5.54 1.81 -0.30 -4.75 118.95 121.04 1fgr s ARG 216 Ca 0.77 0.29 0.03 0.00 -1.72 0.00 0.00 55.73 55.10 1fgr s ARG 216 Cb -0.31 -2.12 -0.03 0.00 -0.45 0.00 0.00 34.95 32.04 1fgr s ARG 216 CO 0.39 -0.88 0.08 -0.98 -0.68 0.00 0.00 175.30 173.23 1fgr s ARG 217 N -5.20 1.98 0.13 3.54 1.04 -0.18 -4.11 118.95 116.14 1fgr s ARG 217 Ca 0.56 -2.21 -0.31 0.00 -1.04 0.00 0.00 55.73 52.74 1fgr s ARG 217 Cb -0.11 -0.94 -0.07 0.00 -2.04 0.00 0.00 34.95 31.79 1fgr s ARG 217 CO 0.49 -0.40 1.30 0.20 -0.04 0.00 0.00 175.30 176.85 1fgr s GLY 218 N -3.67 2.27 0.23 3.88 0.00 -1.26 -1.43 107.32 107.33 1fgr s GLY 218 Ca 0.21 1.02 -0.30 0.00 0.00 0.00 0.00 44.72 45.65 1fgr s GLY 218 CO 0.12 2.15 1.32 -1.60 0.00 0.00 0.00 173.10 175.09 1fgr s ARG 219 N 0.69 4.38 -0.04 2.90 3.52 -0.22 -4.72 118.95 125.45 1fgr s ARG 219 Ca 0.60 2.10 0.03 0.00 -0.13 0.00 0.00 55.73 58.34 1fgr s ARG 219 Cb -0.34 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 1fgr s ARG 219 CO 0.32 -0.25 0.01 0.25 -0.81 0.00 0.00 175.30 174.82 1fgr n THR 220 N 2.31 0.27 -2.73 4.11 -2.24 -1.26 -4.80 114.28 109.94 1fgr n THR 220 Ca 0.05 -0.16 -0.19 0.00 -2.27 0.00 0.00 64.05 61.48 1fgr n THR 220 Cb 0.42 -0.89 0.02 0.00 -2.10 0.00 0.00 70.33 67.78 1fgr n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fgr n GLY 221 N 2.77 -0.38 0.06 3.38 0.00 -1.26 -1.63 105.19 108.12 1fgr n GLY 221 Ca -0.06 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.03 1fgr n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fgr n ARG 222 N -3.34 0.09 0.00 1.61 1.74 -1.26 -3.45 116.66 112.05 1fgr n ARG 222 Ca -0.14 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1fgr n ARG 222 Cb 0.63 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1fgr n ARG 222 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fgr n GLY 223 N 0.32 0.07 3.77 -0.13 0.00 -1.26 -4.73 105.19 103.23 1fgr n GLY 223 Ca 0.04 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 1fgr n GLY 223 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fgr s PRO 224 N -2.17 2.57 0.91 1.61 0.04 -1.26 -0.70 135.00 136.00 1fgr s PRO 224 Ca 0.00 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.24 1fgr s PRO 224 Cb 0.00 -1.93 0.14 0.00 0.04 0.00 0.00 34.50 32.75 1fgr s PRO 224 CO 0.00 -1.42 1.16 0.95 0.04 0.00 0.00 177.00 177.73 1fgr s THR 225 N -2.53 1.98 0.19 1.26 -4.23 -0.16 -4.28 115.64 107.87 1fgr s THR 225 Ca 0.65 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.23 1fgr s THR 225 Cb -0.20 -2.80 -0.13 0.00 1.34 0.00 0.00 72.50 70.72 1fgr s THR 225 CO 0.47 0.00 1.42 0.58 -0.54 0.00 0.00 174.62 176.55 1fgr h VAL 226 N -1.49 1.55 0.00 2.29 2.07 -1.97 -3.33 116.25 115.37 1fgr h VAL 226 Ca -0.49 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 64.31 1fgr h VAL 226 Cb 1.32 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1fgr h VAL 226 CO 0.60 0.78 -1.45 0.35 0.02 0.00 0.00 177.57 177.87 1fgr n THR 227 N -3.61 0.09 -3.57 2.57 -2.24 -1.26 -4.88 114.28 101.39 1fgr n THR 227 Ca -0.02 -0.32 -0.21 0.00 -2.27 0.00 0.00 64.05 61.24 1fgr n THR 227 Cb 0.79 0.27 -0.15 0.00 -2.10 0.00 0.00 70.33 69.13 1fgr n THR 227 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fgr s ASP 228 N -4.07 1.57 0.47 3.42 2.15 -1.25 -5.01 116.67 113.94 1fgr s ASP 228 Ca -0.01 -0.24 0.32 0.00 0.43 0.00 0.00 52.55 53.05 1fgr s ASP 228 Cb 0.14 0.15 1.55 0.00 -0.30 0.00 0.00 42.92 44.46 1fgr s ASP 228 CO 0.86 -0.32 1.96 1.55 -0.17 0.00 0.00 175.17 179.06 1fgr h PRO 229 N 8.36 0.00 -0.01 4.34 0.13 -1.90 -2.42 132.00 140.51 1fgr h PRO 229 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1fgr h PRO 229 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1fgr h PRO 229 CO 0.26 0.00 -0.43 0.09 -0.23 0.00 0.00 178.00 177.68 1fgr n ASN 230 N -2.70 0.96 -4.52 1.44 5.03 -1.26 -4.72 115.26 109.49 1fgr n ASN 230 Ca -0.01 -0.76 -0.34 0.00 0.87 0.00 0.00 54.58 54.35 1fgr n ASN 230 Cb 0.15 0.29 -0.12 0.00 -1.02 0.00 0.00 39.78 39.09 1fgr n ASN 230 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1fgr s THR 231 N -2.71 3.64 0.09 3.41 2.01 -0.92 -4.83 115.64 116.33 1fgr s THR 231 Ca 0.18 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 1fgr s THR 231 Cb 0.18 -2.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 1fgr s THR 231 CO 0.62 0.56 1.01 -0.70 -0.69 0.00 0.00 174.62 175.41 1fgr s GLU 232 N -0.31 4.63 0.89 4.92 2.12 -0.14 -0.98 118.70 129.83 1fgr s GLU 232 Ca 0.04 1.51 -0.10 0.00 0.36 0.00 0.00 54.97 56.78 1fgr s GLU 232 Cb -0.13 -3.38 0.13 0.00 0.26 0.00 0.00 34.13 31.02 1fgr s GLU 232 CO 0.02 0.09 1.15 -1.59 -0.54 0.00 0.00 175.26 174.40 1fgr s LYS 233 N 0.25 1.15 0.80 4.30 -2.85 0.12 -4.70 119.74 118.82 1fgr s LYS 233 Ca 0.49 1.55 -0.11 0.00 -1.00 0.00 0.00 55.97 56.91 1fgr s LYS 233 Cb -0.24 -1.74 0.08 0.00 -2.06 0.00 0.00 37.83 33.86 1fgr s LYS 233 CO 0.30 -2.54 1.12 -0.65 0.10 0.00 0.00 175.35 173.68 1fgr s GLN 234 N -4.61 1.93 -0.08 1.78 -1.52 -1.26 -4.90 119.66 111.00 1fgr s GLN 234 Ca 0.67 1.35 -0.17 0.00 -1.95 0.00 0.00 55.36 55.27 1fgr s GLN 234 Cb -0.23 -1.85 0.04 0.00 -0.22 0.00 0.00 33.01 30.75 1fgr s GLN 234 CO 0.57 -1.92 0.40 0.20 -0.25 0.00 0.00 175.29 174.29 1fgr s GLY 235 N -2.99 -0.27 0.35 3.09 0.00 -1.26 -5.03 107.32 101.21 1fgr s GLY 235 Ca 0.64 0.79 0.15 0.00 0.00 0.00 0.00 44.72 46.31 1fgr s GLY 235 CO 0.54 0.59 1.75 0.83 0.00 0.00 0.00 173.10 176.81 1fgr h GLU 236 N 4.41 0.00 -4.06 2.90 4.39 -2.05 -3.42 114.58 116.76 1fgr h GLU 236 Ca -0.28 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 58.95 1fgr h GLU 236 Cb 1.17 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 29.46 1fgr h GLU 236 CO 0.33 0.43 -0.79 0.08 -1.16 0.00 0.00 179.01 177.91 1fgr s VAL 237 N -3.82 0.72 -0.40 3.13 1.01 -1.26 -5.10 120.40 114.67 1fgr s VAL 237 Ca -0.01 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 1fgr s VAL 237 Cb 0.13 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1fgr s VAL 237 CO 0.71 0.30 0.72 -0.36 0.00 0.00 0.00 175.10 176.47 1fgr s PHE 238 N 1.45 3.08 0.49 5.22 0.40 -1.26 -5.02 117.98 122.34 1fgr s PHE 238 Ca -0.02 0.27 -0.23 0.00 -0.60 0.00 0.00 56.93 56.35 1fgr s PHE 238 Cb -0.13 -3.39 -0.06 0.00 0.51 0.00 0.00 43.02 39.94 1fgr s PHE 238 CO -0.04 -0.80 1.33 -0.47 0.70 0.00 0.00 175.22 175.94 1fgr s TYR 239 N 2.99 2.49 0.03 0.36 6.14 -1.26 -4.87 117.35 123.23 1fgr s TYR 239 Ca 0.27 1.38 0.01 0.00 0.64 0.00 0.00 57.07 59.38 1fgr s TYR 239 Cb -0.13 -3.74 -0.02 0.00 0.42 0.00 0.00 41.96 38.49 1fgr s TYR 239 CO 0.18 -2.56 -0.05 0.14 0.64 0.00 0.00 175.55 173.90 1fgr s VAL 240 N -1.32 0.33 0.22 3.14 -7.23 -1.26 -4.84 120.40 109.44 1fgr s VAL 240 Ca 0.66 -0.89 -0.30 0.00 -1.81 0.00 0.00 61.98 59.64 1fgr s VAL 240 Cb -0.39 -0.42 -0.15 0.00 0.56 0.00 0.00 36.38 35.98 1fgr s VAL 240 CO 0.47 -0.37 0.97 -2.65 -0.31 0.00 0.00 175.10 173.21 1fgr n PRO 241 N 1.71 0.98 -0.30 4.82 -0.02 -1.26 -4.79 135.00 136.14 1fgr n PRO 241 Ca -0.22 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.68 1fgr n PRO 241 Cb 0.55 -1.69 0.18 0.00 -0.02 0.00 0.00 33.50 32.52 1fgr n PRO 241 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1fgr h ARG 242 N 2.30 0.04 0.00 -0.52 9.65 -1.30 0.62 114.38 125.17 1fgr h ARG 242 Ca -0.39 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1fgr h ARG 242 Cb 1.36 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.93 1fgr h ARG 242 CO 0.63 0.03 0.00 -0.25 2.80 0.00 0.00 179.97 183.18 1fgr n ASP 243 N -5.46 0.00 0.17 -3.80 8.00 -1.26 -1.89 116.55 112.31 1fgr n ASP 243 Ca 0.16 -0.40 0.12 0.00 0.71 0.00 0.00 54.79 55.38 1fgr n ASP 243 Cb 0.54 -0.14 0.14 0.00 -0.02 0.00 0.00 41.12 41.63 1fgr n ASP 243 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1fgr h GLU 244 N 0.00 0.00 -5.22 -1.24 4.39 -1.18 -3.41 114.58 107.91 1fgr h GLU 244 Ca 0.00 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.05 1fgr h GLU 244 Cb 0.11 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.60 1fgr h GLU 244 CO 0.00 0.00 0.51 1.21 -1.16 0.00 0.00 179.01 179.57 1fgr s ASN 245 N -5.71 6.26 -0.13 1.42 3.84 -0.79 -4.35 114.94 115.48 1fgr s ASN 245 Ca 0.05 -1.26 -0.29 0.00 0.21 0.00 0.00 52.86 51.56 1fgr s ASN 245 Cb 0.07 -2.39 -0.03 0.00 -0.55 0.00 0.00 41.25 38.35 1fgr s ASN 245 CO 0.70 -1.31 1.37 -0.76 -2.79 0.00 0.00 177.10 174.31 1fgr s LEU 246 N 3.55 4.23 0.72 3.21 1.43 -1.26 -5.03 118.68 125.53 1fgr s LEU 246 Ca 0.22 1.86 -0.11 0.00 -1.03 0.00 0.00 54.13 55.07 1fgr s LEU 246 Cb -0.16 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.56 1fgr s LEU 246 CO 0.06 -0.80 1.09 -0.83 0.23 0.00 0.00 176.35 176.10 1fgr s GLY 247 N 2.34 1.62 -0.01 -3.19 0.00 -1.26 -5.04 107.32 101.78 1fgr s GLY 247 Ca 0.60 -0.51 -0.02 0.00 0.00 0.00 0.00 44.72 44.79 1fgr s GLY 247 CO 0.19 -0.12 0.04 0.30 0.00 0.00 0.00 173.10 173.52 1fgr s HIS 248 N -3.37 0.02 0.29 1.90 0.09 -0.87 -5.03 115.29 108.32 1fgr s HIS 248 Ca 0.59 -0.03 0.10 0.00 -0.00 0.00 0.00 55.06 55.72 1fgr s HIS 248 Cb -0.11 -0.03 0.42 0.00 -0.00 0.00 0.00 32.58 32.86 1fgr s HIS 248 CO 0.50 -0.09 1.65 -0.07 -0.00 0.00 0.00 174.74 176.73 1fgr h LEU 249 N 5.57 0.02 -8.54 0.89 3.38 -1.83 -3.37 115.31 111.43 1fgr h LEU 249 Ca -0.27 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.03 1fgr h LEU 249 Cb 1.21 -0.01 -0.27 0.00 0.09 0.00 0.00 40.66 41.68 1fgr h LEU 249 CO 0.45 0.59 -0.75 -0.54 0.09 0.00 0.00 178.44 178.28 1fgr s LYS 250 N -3.74 3.39 0.53 1.13 1.02 -1.26 -4.93 119.74 115.87 1fgr s LYS 250 Ca -0.02 -0.66 0.18 0.00 0.02 0.00 0.00 55.97 55.49 1fgr s LYS 250 Cb 0.13 -2.76 1.32 0.00 -0.52 0.00 0.00 37.83 35.99 1fgr s LYS 250 CO 0.76 0.08 2.13 1.03 -0.92 0.00 0.00 175.35 178.43 1fgr h SER 251 N 7.17 0.00 0.66 2.83 0.87 -1.98 -0.29 113.55 122.81 1fgr h SER 251 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1fgr h SER 251 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1fgr h SER 251 CO 0.58 0.00 0.00 0.07 -0.53 0.00 0.00 176.83 176.95 1fgr h LYS 252 N 0.00 0.00 -0.01 2.24 2.10 -1.96 -2.31 116.57 116.62 1fgr h LYS 252 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1fgr h LYS 252 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1fgr h LYS 252 CO -0.00 0.00 -0.11 -0.25 -2.00 0.00 0.00 179.45 177.09 1fgr n ASP 253 N -2.53 1.15 -2.99 7.07 8.00 -0.12 -4.33 116.55 122.80 1fgr n ASP 253 Ca 0.01 -1.16 -0.33 0.00 0.71 0.00 0.00 54.79 54.02 1fgr n ASP 253 Cb 0.21 0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 1fgr n ASP 253 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fgr n ALA 254 N -0.30 6.76 -0.25 2.24 0.00 -0.87 -4.72 120.51 123.37 1fgr n ALA 254 Ca 0.16 -3.44 0.19 0.00 0.00 0.00 0.00 53.44 50.34 1fgr n ALA 254 Cb 0.33 -2.61 0.49 0.00 0.00 0.00 0.00 19.45 17.67 1fgr n ALA 254 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1fgr h LEU 255 N 5.19 0.44 -2.49 0.00 3.38 -1.84 -2.15 115.31 117.84 1fgr h LEU 255 Ca 0.58 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.59 1fgr h LEU 255 Cb 0.56 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1fgr h LEU 255 CO 1.20 0.17 -0.02 1.05 0.09 0.00 0.00 178.44 180.93 1fgr h GLU 256 N 0.44 0.00 0.00 1.13 9.09 -1.90 -1.29 114.58 122.05 1fgr h GLU 256 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 1fgr h GLU 256 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.25 1fgr h GLU 256 CO -0.20 0.02 0.00 0.44 0.05 0.00 0.00 179.01 179.33 1fgr n ILE 257 N -3.54 0.52 -0.33 -1.06 -5.35 -0.81 -3.85 119.36 104.94 1fgr n ILE 257 Ca -0.03 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1fgr n ILE 257 Cb 0.12 -0.66 0.14 0.00 -1.74 0.00 0.00 39.64 37.49 1fgr n ILE 257 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1fgr h GLY 258 N 4.24 1.34 1.05 3.28 0.00 -1.38 -2.79 103.07 108.82 1fgr h GLY 258 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1fgr h GLY 258 CO 0.00 0.32 0.40 -0.91 0.00 0.00 0.00 176.54 176.35 1fgr h THR 259 N 1.07 1.26 -0.28 4.70 1.35 -1.76 0.52 112.91 119.76 1fgr h THR 259 Ca 0.38 -0.74 -0.02 0.00 -0.55 0.00 0.00 66.41 65.48 1fgr h THR 259 Cb 0.10 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 66.69 1fgr h THR 259 CO -0.15 0.32 0.12 0.50 -0.25 0.00 0.00 175.52 176.05 1fgr h LYS 260 N 1.21 0.42 -0.64 4.72 3.64 -1.75 -0.27 116.57 123.90 1fgr h LYS 260 Ca 0.29 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1fgr h LYS 260 Cb 0.13 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1fgr h LYS 260 CO -0.04 0.44 0.24 0.77 -2.27 0.00 0.00 179.45 178.60 1fgr h SER 261 N 0.31 0.90 -0.12 4.20 0.02 -1.23 -0.47 113.55 117.17 1fgr h SER 261 Ca 0.10 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1fgr h SER 261 Cb 0.17 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1fgr h SER 261 CO -0.01 0.84 0.07 0.25 -1.14 0.00 0.00 176.83 176.84 1fgr h LEU 262 N 0.91 0.14 -0.25 5.07 5.85 -0.66 0.22 115.31 126.59 1fgr h LEU 262 Ca 0.21 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1fgr h LEU 262 Cb 0.23 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1fgr h LEU 262 CO -0.01 0.17 -0.13 -1.28 -0.34 0.00 0.00 178.44 176.85 1fgr h SER 263 N 0.10 0.55 0.80 1.25 0.87 -0.89 0.34 113.55 116.57 1fgr h SER 263 Ca 0.04 -0.41 -0.22 0.00 -1.23 0.00 0.00 61.79 59.97 1fgr h SER 263 Cb 0.06 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 1fgr h SER 263 CO -0.01 0.84 -1.30 1.56 -0.53 0.00 0.00 176.83 177.39 1fgr h GLN 264 N 0.25 0.00 0.00 2.24 4.20 -1.10 -3.39 115.11 117.32 1fgr h GLN 264 Ca 0.06 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 1fgr h GLN 264 Cb 0.64 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1fgr h GLN 264 CO 0.04 0.58 -1.20 -0.89 -0.67 0.00 0.00 178.83 176.69 1fgr n ILE 265 N -3.11 0.68 -0.04 2.54 5.41 0.66 -4.69 119.36 120.80 1fgr n ILE 265 Ca -0.08 -0.01 -0.13 0.00 1.00 0.00 0.00 62.75 63.52 1fgr n ILE 265 Cb 0.93 -1.67 -0.08 0.00 -0.71 0.00 0.00 39.64 38.11 1fgr n ILE 265 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1fgr h VAL 266 N -0.31 1.36 -0.49 1.39 2.07 -1.15 -3.05 116.25 116.06 1fgr h VAL 266 Ca -0.17 -1.24 0.08 0.00 0.82 0.00 0.00 66.70 66.19 1fgr h VAL 266 Cb 0.98 1.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.63 1fgr h VAL 266 CO -0.10 0.35 0.12 -0.61 0.02 0.00 0.00 177.57 177.36 1fgr h GLN 267 N -0.15 0.26 -0.59 1.57 4.15 -0.51 -0.26 115.11 119.57 1fgr h GLN 267 Ca 0.02 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1fgr h GLN 267 Cb 0.61 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1fgr h GLN 267 CO 0.02 0.17 0.28 -1.35 -1.93 0.00 0.00 178.83 176.03 1fgr h PRO 268 N 0.27 0.84 -0.51 -2.39 0.11 -1.77 -0.63 132.00 127.92 1fgr h PRO 268 Ca 0.24 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 66.20 1fgr h PRO 268 Cb 0.31 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 1fgr h PRO 268 CO -0.30 0.65 0.14 0.00 -0.21 0.00 0.00 178.00 178.28 1fgr h ALA 269 N 1.48 0.67 -0.46 -0.75 0.00 -1.13 -2.03 119.26 117.04 1fgr h ALA 269 Ca 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1fgr h ALA 269 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1fgr h ALA 269 CO -0.03 0.35 0.16 0.74 0.00 0.00 0.00 179.25 180.47 1fgr h PHE 270 N 0.70 0.73 -0.96 0.00 0.04 -0.57 -2.99 116.94 113.88 1fgr h PHE 270 Ca 0.16 -0.07 0.06 0.00 2.80 0.00 0.00 57.97 60.92 1fgr h PHE 270 Cb 0.31 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 1fgr h PHE 270 CO 0.02 0.64 0.62 0.93 -0.60 0.00 0.00 178.31 179.92 1fgr h GLU 271 N 0.61 1.11 -0.74 1.51 5.08 -0.88 -2.04 114.58 119.22 1fgr h GLU 271 Ca 0.15 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1fgr h GLU 271 Cb 0.24 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1fgr h GLU 271 CO -0.01 0.73 0.36 0.66 -1.00 0.00 0.00 179.01 179.76 1fgr h SER 272 N 1.14 0.96 -0.21 1.42 4.64 -1.23 0.13 113.55 120.40 1fgr h SER 272 Ca 0.41 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 1fgr h SER 272 Cb 0.14 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1fgr h SER 272 CO -0.16 0.80 0.09 0.00 -0.87 0.00 0.00 176.83 176.69 1fgr h ALA 273 N 1.34 1.66 0.19 5.18 0.00 -1.29 0.00 119.26 126.34 1fgr h ALA 273 Ca 0.26 -0.09 -0.32 0.00 0.00 0.00 0.00 54.91 54.76 1fgr h ALA 273 Cb 0.10 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.79 1fgr h ALA 273 CO -0.03 0.27 -1.48 0.74 0.00 0.00 0.00 179.25 178.75 1fgr h PHE 274 N 0.37 0.72 -0.27 0.00 -1.00 -0.99 -0.89 116.94 114.88 1fgr h PHE 274 Ca 0.09 -0.52 -0.10 0.00 2.81 0.00 0.00 57.97 60.25 1fgr h PHE 274 Cb 0.11 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1fgr h PHE 274 CO 0.00 1.48 -0.24 -0.44 -1.61 0.00 0.00 178.31 177.50 1fgr h ASP 275 N 0.11 0.51 0.66 2.17 3.32 -0.41 -2.16 116.42 120.62 1fgr h ASP 275 Ca -0.24 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1fgr h ASP 275 Cb 2.08 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.49 1fgr h ASP 275 CO 0.22 0.75 -0.08 0.18 -1.72 0.00 0.00 179.24 178.60 1fgr n LEU 276 N -4.12 0.16 -3.31 1.55 4.77 -0.05 -4.93 117.00 111.07 1fgr n LEU 276 Ca -0.00 0.26 -0.19 0.00 -0.03 0.00 0.00 56.01 56.05 1fgr n LEU 276 Cb 0.40 -0.33 0.08 0.00 -2.33 0.00 0.00 43.42 41.24 1fgr n LEU 276 CO 0.42 0.03 0.17 0.29 -1.33 0.00 0.00 177.39 176.98 1fgr n LYS 277 N -1.30 -6.82 0.00 3.23 5.02 -0.81 -4.90 118.16 112.57 1fgr n LYS 277 Ca 0.11 0.77 0.12 0.00 -2.02 0.00 0.00 58.31 57.29 1fgr n LYS 277 Cb 0.29 -5.62 0.25 0.00 -0.02 0.00 0.00 35.03 29.93 1fgr n LYS 277 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1fgr n SER 278 N -2.81 0.54 -3.86 4.39 7.64 -0.35 -4.86 113.62 114.31 1fgr n SER 278 Ca -0.12 -0.30 -0.11 0.00 1.01 0.00 0.00 58.87 59.35 1fgr n SER 278 Cb 0.60 0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.95 1fgr n SER 278 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1fgr s THR 279 N -2.97 0.07 0.35 0.44 -1.32 -1.24 -4.90 115.64 106.08 1fgr s THR 279 Ca 0.12 -0.58 -0.28 0.00 -1.21 0.00 0.00 61.69 59.73 1fgr s THR 279 Cb 0.18 -0.41 -0.12 0.00 -1.51 0.00 0.00 72.50 70.64 1fgr s THR 279 CO 0.69 -0.32 1.34 -2.65 -2.21 0.00 0.00 174.62 171.47 1fgr n PRO 280 N 1.68 2.27 0.13 7.08 -0.02 -1.26 -4.83 135.00 140.04 1fgr n PRO 280 Ca -0.21 0.80 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 1fgr n PRO 280 Cb 0.56 -2.42 0.22 0.00 -0.02 0.00 0.00 33.50 31.84 1fgr n PRO 280 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1fgr h ILE 281 N 2.64 1.36 -3.11 4.25 1.08 -1.97 -3.45 117.51 118.30 1fgr h ILE 281 Ca -0.47 -1.76 -0.54 0.00 -0.39 0.00 0.00 64.86 61.70 1fgr h ILE 281 Cb 1.27 1.90 -0.17 0.00 -3.07 0.00 0.00 36.82 36.76 1fgr h ILE 281 CO 0.63 0.51 -0.78 -1.61 -0.69 0.00 0.00 178.15 176.21 1fgr s GLU 282 N -3.90 1.35 0.28 2.37 0.41 -1.26 -4.20 118.70 113.75 1fgr s GLU 282 Ca -0.03 -1.48 -0.29 0.00 -0.41 0.00 0.00 54.97 52.76 1fgr s GLU 282 Cb 0.13 -1.40 -0.09 0.00 -1.78 0.00 0.00 34.13 30.98 1fgr s GLU 282 CO 0.76 0.28 1.03 -0.06 -0.49 0.00 0.00 175.26 176.78 1fgr s PHE 283 N -2.19 3.71 -0.39 1.61 0.08 -1.26 -4.95 117.98 114.59 1fgr s PHE 283 Ca 0.19 1.78 0.10 0.00 0.12 0.00 0.00 56.93 59.12 1fgr s PHE 283 Cb -0.05 -3.14 -0.12 0.00 -0.57 0.00 0.00 43.02 39.14 1fgr s PHE 283 CO 0.08 -0.14 0.40 0.72 -0.10 0.00 0.00 175.22 176.18 1fgr n HIS 284 N 1.16 0.00 -3.71 0.36 8.25 -1.26 -4.86 115.22 115.16 1fgr n HIS 284 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 1fgr n HIS 284 Cb 0.46 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 1fgr n HIS 284 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1fgr s SER 285 N -2.25 -0.26 0.38 0.41 1.04 -1.26 -4.40 113.70 107.36 1fgr s SER 285 Ca 0.02 -0.44 0.07 0.00 0.48 0.00 0.00 55.95 56.09 1fgr s SER 285 Cb 0.08 0.55 0.76 0.00 0.10 0.00 0.00 66.02 67.51 1fgr s SER 285 CO 0.43 -1.00 1.96 -0.26 0.98 0.00 0.00 173.24 175.35 1fgr h PHE 286 N 2.23 0.45 0.00 5.02 0.04 -1.96 -1.67 116.94 121.06 1fgr h PHE 286 Ca -0.30 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.43 1fgr h PHE 286 Cb 1.26 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 1fgr h PHE 286 CO 0.34 0.40 -0.09 0.37 -0.60 0.00 0.00 178.31 178.73 1fgr h GLN 287 N 0.45 0.00 -0.13 1.51 5.75 -1.99 -0.40 115.11 120.30 1fgr h GLN 287 Ca 0.11 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 1fgr h GLN 287 Cb 0.18 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1fgr h GLN 287 CO -0.00 0.09 -0.08 -0.44 -2.65 0.00 0.00 178.83 175.75 1fgr h ASP 288 N 0.00 0.18 0.03 -0.69 3.32 -1.70 0.80 116.42 118.36 1fgr h ASP 288 Ca -0.00 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 1fgr h ASP 288 Cb 0.16 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1fgr h ASP 288 CO 0.01 0.29 -0.41 0.58 -1.72 0.00 0.00 179.24 177.99 1fgr h VAL 289 N 0.19 1.55 -0.38 -1.35 2.07 -1.15 -3.26 116.25 113.93 1fgr h VAL 289 Ca 0.04 -2.16 0.07 0.00 0.82 0.00 0.00 66.70 65.47 1fgr h VAL 289 Cb 0.27 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1fgr h VAL 289 CO 0.01 0.60 0.26 0.45 0.02 0.00 0.00 177.57 178.91 1fgr h HIS 290 N -0.46 0.20 -0.34 1.57 3.86 -0.94 -1.33 115.15 117.70 1fgr h HIS 290 Ca -0.06 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.24 1fgr h HIS 290 Cb 1.21 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.60 1fgr h HIS 290 CO 0.19 0.10 0.24 -0.44 0.86 0.00 0.00 177.93 178.88 1fgr h ASP 291 N 0.19 0.07 -0.56 2.45 3.32 -0.89 -2.43 116.42 118.59 1fgr h ASP 291 Ca 0.17 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.34 1fgr h ASP 291 Cb 0.43 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1fgr h ASP 291 CO -0.03 0.05 0.38 -0.07 -1.72 0.00 0.00 179.24 177.85 1fgr h LEU 292 N 0.08 0.22 -2.91 1.55 3.38 -1.36 0.38 115.31 116.66 1fgr h LEU 292 Ca 0.16 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1fgr h LEU 292 Cb 0.53 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1fgr h LEU 292 CO -0.01 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1fgr n TYR 293 N -4.44 0.51 0.00 1.13 0.18 -0.92 -0.81 117.16 112.80 1fgr n TYR 293 Ca 0.10 -0.52 0.00 0.00 1.88 0.00 0.00 57.90 59.35 1fgr n TYR 293 Cb 0.46 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.37 1fgr n TYR 293 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1fgr n GLU 294 N 0.48 0.00 0.23 -3.48 1.02 -0.60 -4.55 120.64 113.74 1fgr n GLU 294 Ca 0.13 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.38 1fgr n GLU 294 Cb 0.46 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 32.35 1fgr n GLU 294 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1fgr h GLY 295 N 0.00 0.00 0.00 0.62 0.00 -1.84 -3.49 103.07 98.36 1fgr h GLY 295 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1fgr h GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1fgr n GLY 296 N 0.24 -1.76 3.31 4.60 0.00 0.13 -4.87 105.19 106.84 1fgr n GLY 296 Ca 0.01 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 1fgr n GLY 296 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1fgr s ILE 297 N -0.02 2.21 -0.17 -0.61 2.07 0.00 -4.40 121.20 120.28 1fgr s ILE 297 Ca 0.00 -1.02 -0.17 0.00 -1.41 0.00 0.00 60.65 58.04 1fgr s ILE 297 Cb 0.00 -1.80 -0.04 0.00 0.13 0.00 0.00 42.46 40.75 1fgr s ILE 297 CO 0.00 0.57 0.46 -0.54 -1.91 0.00 0.00 174.94 173.53 1fgr s LYS 298 N -0.37 4.23 0.23 3.50 1.02 -1.26 -1.53 119.74 125.57 1fgr s LYS 298 Ca 0.03 0.35 0.06 0.00 0.02 0.00 0.00 55.97 56.43 1fgr s LYS 298 Cb -0.12 -3.51 -0.05 0.00 -0.52 0.00 0.00 37.83 33.63 1fgr s LYS 298 CO 0.02 -0.01 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.85 1fgr s LEU 299 N 1.19 2.45 0.53 3.17 1.43 0.14 -4.85 118.68 122.75 1fgr s LEU 299 Ca 0.23 -1.12 -0.21 0.00 -1.03 0.00 0.00 54.13 51.99 1fgr s LEU 299 Cb -0.15 -0.54 -0.06 0.00 0.03 0.00 0.00 46.19 45.47 1fgr s LEU 299 CO 0.09 -0.32 1.18 -2.65 0.23 0.00 0.00 176.35 174.88 1fgr n PRO 300 N -0.44 1.42 -0.13 1.29 -0.02 -1.26 -4.56 135.00 131.29 1fgr n PRO 300 Ca -0.07 0.52 -0.05 0.00 -2.02 0.00 0.00 63.50 61.89 1fgr n PRO 300 Cb 0.62 -2.35 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 1fgr n PRO 300 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fgr h ARG 301 N 1.21 -0.08 0.00 -0.52 3.08 -1.93 0.12 114.38 116.27 1fgr h ARG 301 Ca -0.49 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 1fgr h ARG 301 Cb 1.33 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.39 1fgr h ARG 301 CO 0.55 -0.05 -0.06 0.38 -1.07 0.00 0.00 179.97 179.72 1fgr h ASP 302 N -0.08 0.00 -0.06 7.04 2.03 -1.90 0.13 116.42 123.58 1fgr h ASP 302 Ca 0.21 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.35 1fgr h ASP 302 Cb 0.40 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.91 1fgr h ASP 302 CO -0.49 0.06 -0.58 0.58 -1.03 0.00 0.00 179.24 177.78 1fgr h VAL 303 N 0.00 1.38 -0.60 4.15 2.07 -1.35 -2.17 116.25 119.73 1fgr h VAL 303 Ca -0.00 -1.94 -0.07 0.00 0.82 0.00 0.00 66.70 65.51 1fgr h VAL 303 Cb 0.24 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1fgr h VAL 303 CO 0.01 0.58 0.10 0.40 0.02 0.00 0.00 177.57 178.68 1fgr h ILE 304 N 0.08 1.26 0.00 4.57 1.08 -0.50 -2.68 117.51 121.32 1fgr h ILE 304 Ca -0.05 -0.99 -0.02 0.00 -0.39 0.00 0.00 64.86 63.40 1fgr h ILE 304 Cb 1.25 0.73 -0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1fgr h ILE 304 CO 0.12 0.37 -0.11 0.28 -0.69 0.00 0.00 178.15 178.12 1fgr h SER 305 N 0.90 0.00 0.61 1.72 0.02 -0.76 -0.72 113.55 115.33 1fgr h SER 305 Ca 0.18 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.91 1fgr h SER 305 Cb 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1fgr h SER 305 CO 0.01 0.11 -0.99 0.74 -1.14 0.00 0.00 176.83 175.56 1fgr h THR 306 N 0.00 1.51 0.03 -2.27 2.02 -1.06 -3.39 112.91 109.75 1fgr h THR 306 Ca -0.00 -2.81 -0.19 0.00 0.77 0.00 0.00 66.41 64.18 1fgr h THR 306 Cb 0.38 2.63 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 1fgr h THR 306 CO 0.01 0.82 -1.03 0.40 0.37 0.00 0.00 175.52 176.09 1fgr h ILE 307 N 0.10 1.12 -1.21 3.11 2.04 -1.25 -3.41 117.51 118.02 1fgr h ILE 307 Ca -0.07 -2.26 0.36 0.00 1.00 0.00 0.00 64.86 63.89 1fgr h ILE 307 Cb 1.66 2.58 -0.10 0.00 -0.74 0.00 0.00 36.82 40.23 1fgr h ILE 307 CO 0.15 0.47 0.80 0.40 0.00 0.00 0.00 178.15 179.97 1fgr h ILE 308 N -0.84 0.33 0.00 -0.67 1.08 -1.33 -2.43 117.51 113.65 1fgr h ILE 308 Ca -0.27 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1fgr h ILE 308 Cb 1.34 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1fgr h ILE 308 CO -0.11 0.04 -0.39 -0.81 -0.69 0.00 0.00 178.15 176.19 1fgr n PRO 309 N -4.56 0.01 -2.42 2.37 -0.04 -1.26 -4.65 135.00 124.45 1fgr n PRO 309 Ca 0.31 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.35 1fgr n PRO 309 Cb 1.19 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 33.11 1fgr n PRO 309 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fgr s LEU 310 N -3.06 4.38 0.57 1.53 1.43 -0.92 -4.95 118.68 117.66 1fgr s LEU 310 Ca 0.11 2.03 -0.20 0.00 -1.03 0.00 0.00 54.13 55.04 1fgr s LEU 310 Cb 0.18 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1fgr s LEU 310 CO 0.66 -0.45 1.29 -2.16 0.23 0.00 0.00 176.35 175.91 1fgr s PRO 311 N 0.93 3.07 0.00 1.29 0.04 -1.26 -0.96 135.00 138.10 1fgr s PRO 311 Ca 0.58 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1fgr s PRO 311 Cb -0.30 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1fgr s PRO 311 CO 0.30 -1.19 0.00 0.28 0.04 0.00 0.00 177.00 176.43 1fgr n VAL 312 N -1.26 0.00 -0.25 -0.36 0.31 -1.26 -4.46 118.33 111.06 1fgr n VAL 312 Ca 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.42 1fgr n VAL 312 Cb 0.47 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.49 1fgr n VAL 312 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1fgr h ILE 313 N 0.00 1.07 0.00 2.52 1.08 -1.90 -1.29 117.51 118.99 1fgr h ILE 313 Ca 0.00 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1fgr h ILE 313 Cb 0.00 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 33.91 1fgr h ILE 313 CO 0.00 0.15 0.00 0.07 -0.69 0.00 0.00 178.15 177.68 1fgr h LYS 314 N 0.83 0.00 0.00 2.37 2.10 -1.23 -0.78 116.57 119.86 1fgr h LYS 314 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 1fgr h LYS 314 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1fgr h LYS 314 CO -0.13 0.00 -0.23 0.39 -2.00 0.00 0.00 179.45 177.49 1fgr n GLU 315 N -2.63 0.12 0.23 0.07 -0.58 -0.49 -3.92 120.64 113.44 1fgr n GLU 315 Ca -0.01 0.07 0.12 0.00 -0.42 0.00 0.00 57.16 56.92 1fgr n GLU 315 Cb 0.10 -1.61 0.23 0.00 -0.57 0.00 0.00 31.44 29.59 1fgr n GLU 315 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1fgr h LEU 316 N 0.00 0.00 -8.03 -4.62 3.38 -1.16 -3.46 115.31 101.42 1fgr h LEU 316 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1fgr h LEU 316 Cb 0.61 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.15 1fgr h LEU 316 CO 0.00 0.01 -0.70 -0.31 0.09 0.00 0.00 178.44 177.53 1fgr s TYR 317 N -3.26 0.34 0.15 1.13 1.51 -1.25 -4.46 117.35 111.51 1fgr s TYR 317 Ca 0.06 -0.58 -0.08 0.00 -1.01 0.00 0.00 57.07 55.47 1fgr s TYR 317 Cb 0.06 -0.24 -0.06 0.00 -0.11 0.00 0.00 41.96 41.61 1fgr s TYR 317 CO 0.66 -0.19 0.44 1.03 -1.11 0.00 0.00 175.55 176.37 1fgr s ARG 318 N -1.70 3.71 0.08 -0.62 0.52 -0.19 -4.84 118.95 115.91 1fgr s ARG 318 Ca -0.13 0.09 -0.07 0.00 -0.52 0.00 0.00 55.73 55.10 1fgr s ARG 318 Cb -0.08 -2.82 -0.01 0.00 0.52 0.00 0.00 34.95 32.55 1fgr s ARG 318 CO -0.02 0.44 0.15 -0.08 0.02 0.00 0.00 175.30 175.82 1fgr s THR 319 N -1.64 0.15 -2.52 0.02 -1.32 -1.26 -0.68 115.64 108.39 1fgr s THR 319 Ca 0.41 -1.26 0.24 0.00 -1.21 0.00 0.00 61.69 59.87 1fgr s THR 319 Cb -0.12 -1.31 0.42 0.00 -1.51 0.00 0.00 72.50 69.97 1fgr s THR 319 CO 0.22 -0.70 1.51 -0.90 -2.21 0.00 0.00 174.62 172.54 1fgr n ASP 320 N 0.07 2.29 0.00 8.08 5.75 -1.24 -4.91 116.55 126.58 1fgr n ASP 320 Ca -0.15 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 1fgr n ASP 320 Cb 0.62 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1fgr n ASP 320 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fgr n GLY 321 N 1.27 1.14 1.20 6.12 0.00 -1.26 -4.82 105.19 108.84 1fgr n GLY 321 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1fgr n GLY 321 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fgr n GLN 322 N -2.00 0.00 0.00 1.61 6.02 -1.26 -4.88 117.38 116.87 1fgr n GLN 322 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1fgr n GLN 322 Cb 0.00 -0.42 0.00 0.00 1.02 0.00 0.00 30.24 30.84 1fgr n GLN 322 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1fgr n HIS 323 N -3.41 0.00 -4.21 1.08 8.25 -1.26 -4.18 115.22 111.48 1fgr n HIS 323 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1fgr n HIS 323 Cb 0.06 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.09 1fgr n HIS 323 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1fgr s ILE 324 N -0.28 4.67 -0.09 1.59 1.01 -1.26 0.27 121.20 127.10 1fgr s ILE 324 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.57 1fgr s ILE 324 Cb 0.00 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.48 1fgr s ILE 324 CO 0.00 0.60 -0.16 -0.76 0.00 0.00 0.00 174.94 174.62 1fgr s LEU 325 N -0.83 1.77 -0.13 2.97 1.43 -0.58 -3.72 118.68 119.59 1fgr s LEU 325 Ca 0.13 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1fgr s LEU 325 Cb -0.12 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.04 1fgr s LEU 325 CO 0.03 0.05 -0.18 -0.75 0.23 0.00 0.00 176.35 175.73 1fgr s LYS 326 N 0.77 2.53 0.55 1.70 2.20 0.14 -0.82 119.74 126.81 1fgr s LYS 326 Ca -0.11 -0.67 -0.09 0.00 -0.36 0.00 0.00 55.97 54.74 1fgr s LYS 326 Cb -0.16 -2.12 -0.04 0.00 -1.51 0.00 0.00 37.83 34.00 1fgr s LYS 326 CO 0.02 -0.07 0.91 -0.06 -0.36 0.00 0.00 175.35 175.79 1fgr s PHE 327 N 0.99 3.59 0.52 4.03 0.40 0.01 -1.02 117.98 126.50 1fgr s PHE 327 Ca -0.05 1.08 -0.19 0.00 -0.60 0.00 0.00 56.93 57.17 1fgr s PHE 327 Cb -0.15 -2.53 -0.07 0.00 0.51 0.00 0.00 43.02 40.78 1fgr s PHE 327 CO -0.03 -0.47 1.03 -1.25 0.70 0.00 0.00 175.22 175.20 1fgr s PRO 328 N -4.88 3.70 -0.09 0.24 0.04 -1.26 -4.18 135.00 128.57 1fgr s PRO 328 Ca 0.52 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 1fgr s PRO 328 Cb -0.11 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1fgr s PRO 328 CO 0.48 -0.50 1.65 -1.14 0.04 0.00 0.00 177.00 177.52 1fgr s GLN 329 N -3.55 4.09 0.45 4.56 0.74 -1.26 -4.84 119.66 119.85 1fgr s GLN 329 Ca 0.65 2.07 -0.25 0.00 0.05 0.00 0.00 55.36 57.89 1fgr s GLN 329 Cb -0.15 -4.00 -0.08 0.00 1.10 0.00 0.00 33.01 29.89 1fgr s GLN 329 CO 0.25 -0.95 1.34 -2.14 -0.55 0.00 0.00 175.29 173.25 1fgr s PRO 330 N 4.18 3.71 0.33 1.67 0.02 -1.26 -4.89 135.00 138.76 1fgr s PRO 330 Ca 0.73 2.23 0.09 0.00 0.02 0.00 0.00 61.00 64.06 1fgr s PRO 330 Cb -0.31 -2.61 0.81 0.00 0.02 0.00 0.00 34.50 32.41 1fgr s PRO 330 CO 0.29 -0.73 1.81 0.45 -0.33 0.00 0.00 177.00 178.49 1fgr h HIS 331 N 2.29 0.93 0.00 6.54 3.86 -1.80 -2.11 115.15 124.87 1fgr h HIS 331 Ca -0.50 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1fgr h HIS 331 Cb 1.26 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1fgr h HIS 331 CO 0.51 0.25 0.00 -0.24 0.86 0.00 0.00 177.93 179.30 1fgr h VAL 332 N 0.70 0.00 -0.12 2.45 3.04 -1.36 -2.20 116.25 118.76 1fgr h VAL 332 Ca 0.53 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 66.20 1fgr h VAL 332 Cb 0.91 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1fgr h VAL 332 CO -0.30 0.00 0.00 1.33 -1.01 0.00 0.00 177.57 177.59 1fgr n VAL 333 N -2.80 0.53 0.28 1.51 0.24 -0.80 -4.65 118.33 112.64 1fgr n VAL 333 Ca -0.02 -0.76 0.14 0.00 -2.04 0.00 0.00 64.34 61.65 1fgr n VAL 333 Cb 0.07 0.81 0.81 0.00 -1.47 0.00 0.00 33.84 34.06 1fgr n VAL 333 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1fgr h GLN 334 N 1.37 0.00 0.00 7.34 4.20 -1.33 -3.27 115.11 123.41 1fgr h GLN 334 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1fgr h GLN 334 Cb 0.49 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1fgr h GLN 334 CO 0.00 0.07 -1.67 0.28 -0.67 0.00 0.00 178.83 176.84 1fgr n VAL 335 N -3.75 0.67 -3.74 -0.54 0.31 -1.26 -4.99 118.33 105.02 1fgr n VAL 335 Ca -0.02 -0.24 -0.22 0.00 -0.01 0.00 0.00 64.34 63.84 1fgr n VAL 335 Cb 0.16 -1.05 -0.18 0.00 -0.91 0.00 0.00 33.84 31.87 1fgr n VAL 335 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1fgr s SER 336 N -5.31 1.50 0.00 4.52 0.15 -1.23 -5.02 113.70 108.31 1fgr s SER 336 Ca -0.16 -0.06 0.29 0.00 0.70 0.00 0.00 55.95 56.72 1fgr s SER 336 Cb 0.05 -0.36 1.34 0.00 -1.71 0.00 0.00 66.02 65.33 1fgr s SER 336 CO 0.26 -0.21 1.97 0.00 1.20 0.00 0.00 173.24 176.45 1fgr n GLN 337 N 5.19 0.19 -0.00 5.44 10.64 -1.25 -3.60 117.38 133.99 1fgr n GLN 337 Ca -0.06 0.01 0.05 0.00 -1.83 0.00 0.00 57.00 55.17 1fgr n GLN 337 Cb 0.50 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.32 1fgr n GLN 337 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1fgr n SER 338 N -1.40 0.66 0.18 2.61 3.41 -1.26 -4.66 113.62 113.16 1fgr n SER 338 Ca 0.10 -0.69 0.12 0.00 -0.26 0.00 0.00 58.87 58.15 1fgr n SER 338 Cb 0.29 1.04 0.68 0.00 -0.26 0.00 0.00 64.21 65.96 1fgr n SER 338 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fgr h ALA 339 N 1.46 2.12 -0.14 7.33 0.00 -1.88 -1.63 119.26 126.51 1fgr h ALA 339 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1fgr h ALA 339 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1fgr h ALA 339 CO 0.00 -0.21 0.15 0.11 0.00 0.00 0.00 179.25 179.29 1fgr h TRP 340 N 0.00 0.00 0.00 0.00 5.08 -1.83 -1.81 115.95 117.39 1fgr h TRP 340 Ca 0.08 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.05 1fgr h TRP 340 Cb 0.33 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.49 1fgr h TRP 340 CO 0.00 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.83 1fgr n MET 341 N -3.94 0.03 -2.54 0.12 2.81 -0.61 -4.45 117.12 108.55 1fgr n MET 341 Ca 0.01 0.07 -0.37 0.00 -1.81 0.00 0.00 57.70 55.60 1fgr n MET 341 Cb 0.26 -1.54 -0.04 0.00 -0.71 0.00 0.00 33.22 31.19 1fgr n MET 341 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1fgr s THR 342 N -3.02 3.70 0.42 2.03 -4.23 -0.68 -4.93 115.64 108.93 1fgr s THR 342 Ca 0.12 1.32 0.08 0.00 -1.18 0.00 0.00 61.69 62.04 1fgr s THR 342 Cb 0.17 -3.69 0.24 0.00 1.34 0.00 0.00 72.50 70.55 1fgr s THR 342 CO 0.49 0.02 2.03 0.44 -0.54 0.00 0.00 174.62 177.07 1fgr h ASP 343 N 2.55 0.36 -0.58 3.99 5.19 -1.88 -1.90 116.42 124.16 1fgr h ASP 343 Ca -0.48 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 55.90 1fgr h ASP 343 Cb 1.22 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.60 1fgr h ASP 343 CO 0.62 0.32 0.36 -0.33 -3.12 0.00 0.00 179.24 177.09 1fgr h GLU 344 N 0.42 0.78 -0.11 3.56 3.07 -1.92 -2.21 114.58 118.16 1fgr h GLU 344 Ca 0.11 -0.06 -0.20 0.00 -0.50 0.00 0.00 59.36 58.70 1fgr h GLU 344 Cb 0.06 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 1fgr h GLU 344 CO -0.01 0.55 -0.75 1.49 -1.40 0.00 0.00 179.01 178.88 1fgr h GLU 345 N 0.78 0.58 -0.30 2.33 4.57 -1.69 -1.11 114.58 119.74 1fgr h GLU 345 Ca 0.21 -0.47 0.06 0.00 -1.18 0.00 0.00 59.36 57.97 1fgr h GLU 345 Cb -0.04 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 1fgr h GLU 345 CO -0.04 1.10 -0.06 0.35 -1.18 0.00 0.00 179.01 179.18 1fgr h PHE 346 N 0.39 -0.13 -0.23 0.92 3.57 -1.17 -1.41 116.94 118.89 1fgr h PHE 346 Ca -0.04 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.31 1fgr h PHE 346 Cb 1.35 0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.20 1fgr h PHE 346 CO 0.06 -0.11 -0.56 0.00 -2.23 0.00 0.00 178.31 175.47 1fgr h ALA 347 N 1.29 0.38 -0.55 2.41 0.00 -1.40 -3.23 119.26 118.15 1fgr h ALA 347 Ca 0.14 -0.52 0.04 0.00 0.00 0.00 0.00 54.91 54.57 1fgr h ALA 347 Cb 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1fgr h ALA 347 CO -0.29 0.60 0.37 -0.09 0.00 0.00 0.00 179.25 179.83 1fgr h ARG 348 N 0.52 0.60 0.00 0.00 2.43 -0.84 -1.27 114.38 115.82 1fgr h ARG 348 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1fgr h ARG 348 Cb 1.17 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1fgr h ARG 348 CO 0.12 0.39 0.00 0.39 -1.51 0.00 0.00 179.97 179.37 1fgr n GLU 349 N -4.47 0.19 0.11 0.20 1.02 -0.56 -0.90 120.64 116.22 1fgr n GLU 349 Ca 0.07 0.42 0.12 0.00 -0.02 0.00 0.00 57.16 57.74 1fgr n GLU 349 Cb 0.16 -1.86 0.46 0.00 -0.02 0.00 0.00 31.44 30.18 1fgr n GLU 349 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1fgr n MET 350 N -2.21 0.20 0.00 3.49 2.81 -0.48 -0.83 117.12 120.10 1fgr n MET 350 Ca 0.02 0.32 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 1fgr n MET 350 Cb 0.23 -1.81 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 1fgr n MET 350 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1fgr n ILE 351 N -2.18 0.00 -1.81 2.02 -5.35 -0.37 -4.34 119.36 107.34 1fgr n ILE 351 Ca 0.04 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 1fgr n ILE 351 Cb 0.31 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 1fgr n ILE 351 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fgr n ALA 352 N -0.50 1.71 -1.94 -1.28 0.00 -0.08 -2.49 120.51 115.93 1fgr n ALA 352 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1fgr n ALA 352 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1fgr n ALA 352 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fgr n GLY 353 N 0.00 1.79 0.21 0.00 0.00 -0.01 -4.87 105.19 102.31 1fgr n GLY 353 Ca 0.00 -1.97 0.08 0.00 0.00 0.00 0.00 46.02 44.12 1fgr n GLY 353 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fgr h VAL 354 N 0.00 0.78 -2.09 1.61 2.07 -1.85 -3.34 116.25 113.43 1fgr h VAL 354 Ca 0.00 -1.19 -0.58 0.00 0.82 0.00 0.00 66.70 65.75 1fgr h VAL 354 Cb 0.00 1.74 -0.40 0.00 -1.52 0.00 0.00 31.29 31.11 1fgr h VAL 354 CO 0.00 0.28 -0.86 -3.20 0.02 0.00 0.00 177.57 173.81 1fgr n ASN 355 N -3.58 1.95 -0.49 0.57 4.05 -1.26 -4.36 115.26 112.13 1fgr n ASN 355 Ca -0.01 -3.07 0.01 0.00 0.45 0.00 0.00 54.58 51.96 1fgr n ASN 355 Cb 0.42 -0.65 0.05 0.00 1.23 0.00 0.00 39.78 40.83 1fgr n ASN 355 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1fgr n PRO 356 N 1.08 1.41 -0.66 1.20 -0.04 -1.25 -4.27 135.00 132.47 1fgr n PRO 356 Ca 0.25 -0.40 0.06 0.00 -0.04 0.00 0.00 63.50 63.38 1fgr n PRO 356 Cb 0.47 -1.40 0.15 0.00 -0.04 0.00 0.00 33.50 32.69 1fgr n PRO 356 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fgr n VAL 358 N -0.82 0.35 -1.63 0.00 0.31 -1.26 -5.04 118.33 110.24 1fgr n VAL 358 Ca 0.15 -0.23 -0.41 0.00 -0.01 0.00 0.00 64.34 63.83 1fgr n VAL 358 Cb 0.76 -0.73 0.01 0.00 -0.91 0.00 0.00 33.84 32.97 1fgr n VAL 358 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fgr n ILE 359 N -2.16 2.47 -4.18 2.52 3.06 -1.26 -4.75 119.36 115.06 1fgr n ILE 359 Ca -0.09 -0.50 -0.14 0.00 -2.50 0.00 0.00 62.75 59.52 1fgr n ILE 359 Cb 0.64 -1.25 -0.11 0.00 0.54 0.00 0.00 39.64 39.45 1fgr n ILE 359 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 1fgr s ARG 360 N -2.05 0.85 0.49 9.51 0.52 -0.21 -4.87 118.95 123.19 1fgr s ARG 360 Ca 0.63 -1.17 -0.21 0.00 -0.52 0.00 0.00 55.73 54.45 1fgr s ARG 360 Cb -0.55 -0.51 -0.08 0.00 0.52 0.00 0.00 34.95 34.34 1fgr s ARG 360 CO 0.57 0.07 1.08 0.20 0.02 0.00 0.00 175.30 177.24 1fgr s GLY 361 N -2.50 2.60 -0.23 -3.53 0.00 0.00 -0.23 107.32 103.43 1fgr s GLY 361 Ca 0.06 0.72 0.01 0.00 0.00 0.00 0.00 44.72 45.51 1fgr s GLY 361 CO -0.00 1.08 -0.13 -2.27 0.00 0.00 0.00 173.10 171.77 1fgr s LEU 362 N -3.45 2.90 0.00 0.66 2.96 0.03 -4.73 118.68 117.05 1fgr s LEU 362 Ca 0.68 -0.99 0.18 0.00 -0.22 0.00 0.00 54.13 53.78 1fgr s LEU 362 Cb -0.21 -1.56 0.11 0.00 0.50 0.00 0.00 46.19 45.04 1fgr s LEU 362 CO 0.24 -0.10 1.04 -0.62 -1.32 0.00 0.00 176.35 175.58 1fgr n GLU 363 N 4.56 1.55 -4.08 1.98 1.02 -1.26 -4.53 120.64 119.88 1fgr n GLU 363 Ca -0.17 -1.42 -0.09 0.00 -0.02 0.00 0.00 57.16 55.46 1fgr n GLU 363 Cb 0.46 -1.34 -0.09 0.00 -0.02 0.00 0.00 31.44 30.45 1fgr n GLU 363 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1fgr s GLU 364 N -1.63 0.90 -0.15 3.49 -1.05 -1.26 -4.97 118.70 114.03 1fgr s GLU 364 Ca 0.20 -1.31 -0.11 0.00 -0.15 0.00 0.00 54.97 53.59 1fgr s GLU 364 Cb 0.15 0.27 0.04 0.00 -0.44 0.00 0.00 34.13 34.15 1fgr s GLU 364 CO 0.28 -0.26 0.37 0.12 0.95 0.00 0.00 175.26 176.72 1fgr s PHE 365 N -3.99 -0.45 0.86 4.83 2.19 -1.26 -4.34 117.98 115.81 1fgr s PHE 365 Ca 0.18 1.06 -0.12 0.00 0.33 0.00 0.00 56.93 58.38 1fgr s PHE 365 Cb 0.07 0.17 0.11 0.00 -1.31 0.00 0.00 43.02 42.05 1fgr s PHE 365 CO -0.02 -0.24 1.09 -1.25 1.83 0.00 0.00 175.22 176.64 1fgr s PRO 366 N 0.59 1.59 0.53 10.12 0.04 -1.26 -5.10 135.00 141.51 1fgr s PRO 366 Ca -0.03 0.74 -0.21 0.00 0.04 0.00 0.00 61.00 61.54 1fgr s PRO 366 Cb -0.05 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1fgr s PRO 366 CO -0.04 -1.99 1.20 -1.25 0.04 0.00 0.00 177.00 174.96 1fgr s PRO 367 N -5.03 3.32 0.25 0.56 0.04 -1.26 -5.00 135.00 127.88 1fgr s PRO 367 Ca 0.62 1.82 0.07 0.00 0.04 0.00 0.00 61.00 63.55 1fgr s PRO 367 Cb -0.16 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1fgr s PRO 367 CO 0.56 -0.92 0.17 0.15 0.04 0.00 0.00 177.00 177.00 1fgr s LYS 368 N -3.07 2.86 0.04 4.56 1.02 -1.26 -4.32 119.74 119.57 1fgr s LYS 368 Ca 0.71 -1.09 0.09 0.00 0.02 0.00 0.00 55.97 55.70 1fgr s LYS 368 Cb -0.30 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1fgr s LYS 368 CO 0.34 0.40 -0.25 0.45 -0.92 0.00 0.00 175.35 175.38 1fgr s SER 369 N -3.79 2.94 0.00 2.83 0.15 -1.26 -5.02 113.70 109.55 1fgr s SER 369 Ca 0.33 -0.56 0.23 0.00 0.70 0.00 0.00 55.95 56.64 1fgr s SER 369 Cb -0.08 -0.27 0.54 0.00 -1.71 0.00 0.00 66.02 64.51 1fgr s SER 369 CO 0.24 0.23 1.47 0.59 1.20 0.00 0.00 173.24 176.98 1fgr n ASN 370 N 1.85 3.73 -4.84 5.45 3.02 -1.26 -4.98 115.26 118.23 1fgr n ASN 370 Ca -0.17 -1.99 -0.32 0.00 -0.03 0.00 0.00 54.58 52.07 1fgr n ASN 370 Cb 0.52 -0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 1fgr n ASN 370 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fgr s LEU 371 N -1.21 3.68 -0.32 3.41 1.43 -1.26 -4.99 118.68 119.42 1fgr s LEU 371 Ca 0.44 1.55 -0.29 0.00 -1.03 0.00 0.00 54.13 54.80 1fgr s LEU 371 Cb 0.24 -4.47 -0.01 0.00 0.03 0.00 0.00 46.19 41.98 1fgr s LEU 371 CO 0.32 -0.54 1.61 -0.62 0.23 0.00 0.00 176.35 177.35 1fgr s ASP 372 N -2.95 6.20 0.56 2.29 -1.08 -1.26 -4.89 116.67 115.54 1fgr s ASP 372 Ca 0.59 1.24 0.32 0.00 -0.52 0.00 0.00 52.55 54.18 1fgr s ASP 372 Cb -0.10 -2.53 1.62 0.00 -1.46 0.00 0.00 42.92 40.45 1fgr s ASP 372 CO 0.29 -1.47 2.11 1.55 0.52 0.00 0.00 175.17 178.17 1fgr h PRO 373 N 11.44 0.00 0.00 4.34 0.13 -1.95 -1.16 132.00 144.81 1fgr h PRO 373 Ca -0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 1fgr h PRO 373 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1fgr h PRO 373 CO 1.04 0.07 -0.12 0.00 -0.23 0.00 0.00 178.00 178.76 1fgr h ALA 374 N 1.93 1.26 0.01 -0.56 0.00 -1.90 0.18 119.26 120.17 1fgr h ALA 374 Ca -0.00 -0.11 -0.41 0.00 0.00 0.00 0.00 54.91 54.39 1fgr h ALA 374 Cb 0.31 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1fgr h ALA 374 CO 0.01 0.15 -2.46 -0.89 0.00 0.00 0.00 179.25 176.06 1fgr n ILE 375 N -3.61 1.51 0.71 0.00 5.41 -0.51 -4.67 119.36 118.20 1fgr n ILE 375 Ca -0.02 -0.52 0.08 0.00 1.00 0.00 0.00 62.75 63.29 1fgr n ILE 375 Cb 0.25 -1.56 0.05 0.00 -0.71 0.00 0.00 39.64 37.67 1fgr n ILE 375 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1fgr n TYR 376 N -3.53 0.00 0.00 1.39 4.01 -0.76 -4.63 117.16 113.64 1fgr n TYR 376 Ca -0.47 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.27 1fgr n TYR 376 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 1fgr n TYR 376 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fgr n GLY 377 N 1.01 -0.41 3.64 2.72 0.00 0.63 -1.26 105.19 111.52 1fgr n GLY 377 Ca 0.09 -1.75 -0.56 0.00 0.00 0.00 0.00 46.02 43.80 1fgr n GLY 377 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1fgr n ASP 378 N -1.20 1.64 -1.22 1.61 -0.08 -1.26 -4.32 116.55 111.71 1fgr n ASP 378 Ca 0.00 1.12 0.10 0.00 -1.51 0.00 0.00 54.79 54.49 1fgr n ASP 378 Cb 0.00 -1.11 0.29 0.00 2.34 0.00 0.00 41.12 42.64 1fgr n ASP 378 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fgr n GLN 379 N 3.53 3.02 -1.97 -0.67 1.13 -1.26 -4.98 117.38 116.18 1fgr n GLN 379 Ca 0.23 -2.58 -0.41 0.00 -1.94 0.00 0.00 57.00 52.29 1fgr n GLN 379 Cb 0.13 -1.59 -0.02 0.00 0.11 0.00 0.00 30.24 28.87 1fgr n GLN 379 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1fgr s SER 380 N -1.02 6.60 0.46 1.08 0.01 -1.26 -4.60 113.70 114.97 1fgr s SER 380 Ca 0.43 2.76 -0.24 0.00 1.31 0.00 0.00 55.95 60.21 1fgr s SER 380 Cb 0.25 -2.64 -0.07 0.00 0.21 0.00 0.00 66.02 63.77 1fgr s SER 380 CO 0.26 -0.72 1.24 -0.55 0.41 0.00 0.00 173.24 173.88 1fgr s SER 381 N 0.15 6.03 0.00 2.44 0.15 -1.26 -4.93 113.70 116.28 1fgr s SER 381 Ca 0.57 2.49 0.23 0.00 0.70 0.00 0.00 55.95 59.94 1fgr s SER 381 Cb -0.43 -2.62 0.41 0.00 -1.71 0.00 0.00 66.02 61.67 1fgr s SER 381 CO 0.48 -1.03 1.39 0.29 1.20 0.00 0.00 173.24 175.58 1fgr n LYS 382 N -0.42 2.51 -2.62 5.44 4.76 -1.26 -4.92 118.16 121.65 1fgr n LYS 382 Ca 0.07 -2.28 -0.42 0.00 -2.87 0.00 0.00 58.31 52.80 1fgr n LYS 382 Cb 0.46 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 1fgr n LYS 382 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1fgr s ILE 383 N -1.52 4.64 -0.15 -0.18 1.01 -1.26 -4.95 121.20 118.78 1fgr s ILE 383 Ca 0.38 1.92 -0.08 0.00 0.00 0.00 0.00 60.65 62.87 1fgr s ILE 383 Cb 0.23 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1fgr s ILE 383 CO 0.32 0.01 0.12 0.42 0.00 0.00 0.00 174.94 175.80 1fgr s THR 384 N 2.04 5.30 0.24 2.92 -4.23 -1.26 -4.87 115.64 115.78 1fgr s THR 384 Ca 0.50 0.14 -0.06 0.00 -1.18 0.00 0.00 61.69 61.10 1fgr s THR 384 Cb -0.20 -3.35 0.20 0.00 1.34 0.00 0.00 72.50 70.49 1fgr s THR 384 CO 0.19 0.54 1.84 0.00 -0.54 0.00 0.00 174.62 176.65 1fgr h ALA 385 N 5.75 1.14 0.00 3.99 0.00 -1.98 -2.22 119.26 125.94 1fgr h ALA 385 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1fgr h ALA 385 Cb 1.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1fgr h ALA 385 CO 0.65 0.21 0.00 -0.25 0.00 0.00 0.00 179.25 179.86 1fgr n ASP 386 N -4.67 0.57 -0.04 0.00 8.00 -1.26 -1.83 116.55 117.33 1fgr n ASP 386 Ca 0.12 0.71 0.13 0.00 0.71 0.00 0.00 54.79 56.46 1fgr n ASP 386 Cb 0.19 -0.81 0.34 0.00 -0.02 0.00 0.00 41.12 40.83 1fgr n ASP 386 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1fgr n SER 387 N -2.21 0.50 -4.82 -2.24 3.41 -0.83 -4.92 113.62 102.51 1fgr n SER 387 Ca 0.00 -0.25 -0.38 0.00 -0.26 0.00 0.00 58.87 57.98 1fgr n SER 387 Cb 0.11 0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1fgr n SER 387 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fgr s LEU 388 N -2.90 4.49 -0.55 1.04 1.43 -0.76 -5.04 118.68 116.39 1fgr s LEU 388 Ca 0.14 1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 54.31 1fgr s LEU 388 Cb 0.18 -2.97 0.12 0.00 0.03 0.00 0.00 46.19 43.55 1fgr s LEU 388 CO 0.64 0.24 0.57 -0.62 0.23 0.00 0.00 176.35 177.41 1fgr s ASP 389 N -1.23 6.19 -0.57 2.29 -1.08 -1.26 -4.91 116.67 116.10 1fgr s ASP 389 Ca 0.31 -1.64 0.00 0.00 -0.52 0.00 0.00 52.55 50.70 1fgr s ASP 389 Cb -0.19 -2.24 0.45 0.00 -1.46 0.00 0.00 42.92 39.48 1fgr s ASP 389 CO 0.19 -0.94 1.80 0.18 0.52 0.00 0.00 175.17 176.92 1fgr n LEU 390 N 5.63 6.94 -3.10 -1.34 4.77 -1.26 -4.89 117.00 123.75 1fgr n LEU 390 Ca -0.12 -4.44 -0.21 0.00 -0.03 0.00 0.00 56.01 51.21 1fgr n LEU 390 Cb 0.41 -0.81 0.01 0.00 -2.33 0.00 0.00 43.42 40.70 1fgr n LEU 390 CO 0.55 1.66 -0.05 0.47 -1.33 0.00 0.00 177.39 178.69 1fgr n ASP 391 N -0.85 -4.49 0.00 -1.43 8.00 -1.26 -1.28 116.55 115.24 1fgr n ASP 391 Ca 0.57 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1fgr n ASP 391 Cb 0.73 -3.69 0.00 0.00 -0.02 0.00 0.00 41.12 38.14 1fgr n ASP 391 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fgr n GLY 392 N -1.21 0.69 3.82 0.44 0.00 -1.26 -5.06 105.19 102.61 1fgr n GLY 392 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1fgr n GLY 392 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fgr s TYR 393 N -2.31 3.36 0.53 1.61 1.51 -0.41 -5.06 117.35 116.59 1fgr s TYR 393 Ca 0.00 1.57 -0.05 0.00 -1.01 0.00 0.00 57.07 57.58 1fgr s TYR 393 Cb 0.00 -2.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.03 1fgr s TYR 393 CO 0.00 -0.04 0.83 0.95 -1.11 0.00 0.00 175.55 176.18 1fgr s THR 394 N -2.08 4.25 0.20 -0.71 -4.23 -1.26 -4.55 115.64 107.25 1fgr s THR 394 Ca 0.59 0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 61.05 1fgr s THR 394 Cb -0.10 -3.64 0.13 0.00 1.34 0.00 0.00 72.50 70.23 1fgr s THR 394 CO 0.15 -0.63 1.84 -0.03 -0.54 0.00 0.00 174.62 175.41 1fgr h MET 395 N 0.05 0.80 -0.40 3.99 4.05 -1.97 -0.41 114.93 121.04 1fgr h MET 395 Ca -0.46 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 58.88 1fgr h MET 395 Cb 1.23 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.83 1fgr h MET 395 CO 0.61 0.53 0.12 -0.44 0.23 0.00 0.00 176.91 177.96 1fgr h ASP 396 N 0.82 0.53 -0.42 1.39 3.32 -1.99 -0.21 116.42 119.86 1fgr h ASP 396 Ca 0.27 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 1fgr h ASP 396 Cb 0.03 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1fgr h ASP 396 CO -0.11 0.51 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.38 1fgr h GLU 397 N 0.57 0.88 -0.32 3.56 5.08 -1.72 -1.31 114.58 121.32 1fgr h GLU 397 Ca 0.14 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1fgr h GLU 397 Cb 0.18 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1fgr h GLU 397 CO -0.01 1.04 0.07 0.00 -1.00 0.00 0.00 179.01 179.11 1fgr h ALA 398 N 0.82 0.43 -0.09 3.43 0.00 -0.66 -1.69 119.26 121.50 1fgr h ALA 398 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1fgr h ALA 398 Cb 0.77 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1fgr h ALA 398 CO 0.06 0.10 0.06 -0.07 0.00 0.00 0.00 179.25 179.41 1fgr h LEU 399 N 0.36 0.11 -1.26 0.00 3.38 -0.98 -0.94 115.31 115.98 1fgr h LEU 399 Ca 0.10 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1fgr h LEU 399 Cb 0.32 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1fgr h LEU 399 CO 0.00 0.09 -0.36 1.23 0.09 0.00 0.00 178.44 179.50 1fgr h GLY 400 N 0.11 0.02 -0.57 0.83 0.00 -1.18 -2.43 103.07 99.85 1fgr h GLY 400 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1fgr h GLY 400 CO -0.01 0.01 0.00 -1.14 0.00 0.00 0.00 176.54 175.41 1fgr n SER 401 N -4.11 1.36 -3.60 0.19 3.41 -0.64 -4.91 113.62 105.32 1fgr n SER 401 Ca -0.02 -1.66 -0.21 0.00 -0.26 0.00 0.00 58.87 56.72 1fgr n SER 401 Cb 0.40 -0.09 0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1fgr n SER 401 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fgr n ARG 402 N 0.12 -6.33 -0.05 4.33 5.12 -0.91 -4.92 116.66 114.02 1fgr n ARG 402 Ca 0.16 0.75 0.08 0.00 -1.93 0.00 0.00 57.85 56.91 1fgr n ARG 402 Cb 0.28 -5.64 0.09 0.00 -1.16 0.00 0.00 32.46 26.03 1fgr n ARG 402 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1fgr n ARG 403 N -4.43 1.52 -4.23 5.56 1.74 -0.38 -4.95 116.66 111.48 1fgr n ARG 403 Ca -0.19 -1.61 -0.34 0.00 -0.77 0.00 0.00 57.85 54.94 1fgr n ARG 403 Cb 0.63 -1.32 -0.11 0.00 -1.02 0.00 0.00 32.46 30.64 1fgr n ARG 403 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1fgr s LEU 404 N -1.28 3.52 0.29 0.55 2.96 -1.24 0.12 118.68 123.60 1fgr s LEU 404 Ca 0.21 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 1fgr s LEU 404 Cb 0.14 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 1fgr s LEU 404 CO 0.21 0.19 0.10 -0.36 -1.32 0.00 0.00 176.35 175.17 1fgr s PHE 405 N 0.23 1.67 -0.15 5.38 0.40 -0.15 -0.79 117.98 124.58 1fgr s PHE 405 Ca 0.00 -1.16 -0.18 0.00 -0.60 0.00 0.00 56.93 54.99 1fgr s PHE 405 Cb -0.13 -1.01 0.05 0.00 0.51 0.00 0.00 43.02 42.44 1fgr s PHE 405 CO 0.02 -0.28 0.48 1.41 0.70 0.00 0.00 175.22 177.55 1fgr s MET 406 N -3.94 0.63 -0.53 0.44 1.75 0.68 -0.69 119.30 117.63 1fgr s MET 406 Ca 0.36 0.52 -0.09 0.00 -1.25 0.00 0.00 55.69 55.22 1fgr s MET 406 Cb 0.07 0.30 0.13 0.00 2.84 0.00 0.00 34.83 38.18 1fgr s MET 406 CO 0.15 -0.11 0.41 -1.17 -0.65 0.00 0.00 175.02 173.65 1fgr s LEU 407 N -0.10 5.79 -0.48 4.11 2.96 -0.31 -1.04 118.68 129.60 1fgr s LEU 407 Ca -0.03 -2.09 -0.13 0.00 -0.22 0.00 0.00 54.13 51.66 1fgr s LEU 407 Cb -0.03 -2.02 0.10 0.00 0.50 0.00 0.00 46.19 44.73 1fgr s LEU 407 CO 0.02 -0.66 0.38 -0.62 -1.32 0.00 0.00 176.35 174.16 1fgr s ASP 408 N 2.45 5.98 -0.04 3.68 2.15 -1.26 -1.44 116.67 128.19 1fgr s ASP 408 Ca 0.08 -1.58 0.12 0.00 0.43 0.00 0.00 52.55 51.60 1fgr s ASP 408 Cb -0.24 -2.12 0.35 0.00 -0.30 0.00 0.00 42.92 40.61 1fgr s ASP 408 CO -0.02 -0.68 1.29 -1.22 -0.17 0.00 0.00 175.17 174.36 1fgr n TYR 409 N 5.11 0.56 0.39 -5.34 4.01 0.11 -4.74 117.16 117.25 1fgr n TYR 409 Ca -0.12 -0.58 -0.17 0.00 -0.16 0.00 0.00 57.90 56.87 1fgr n TYR 409 Cb 0.42 -0.09 -0.09 0.00 -0.31 0.00 0.00 39.34 39.27 1fgr n TYR 409 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1fgr h HIS 410 N 1.93 -0.91 0.00 -0.72 2.76 -1.64 -1.32 115.15 115.25 1fgr h HIS 410 Ca 0.00 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 1fgr h HIS 410 Cb 0.88 0.30 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 1fgr h HIS 410 CO 0.28 -0.54 -0.34 -0.44 -1.30 0.00 0.00 177.93 175.59 1fgr h ASP 411 N -1.11 0.00 -0.20 3.26 5.19 -1.91 -1.90 116.42 119.76 1fgr h ASP 411 Ca -0.10 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.17 1fgr h ASP 411 Cb 0.77 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1fgr h ASP 411 CO 0.16 0.34 -0.41 0.40 -3.12 0.00 0.00 179.24 176.61 1fgr h ILE 412 N 0.00 1.33 0.00 0.35 2.04 -1.84 -3.36 117.51 116.02 1fgr h ILE 412 Ca -0.00 -1.64 -0.16 0.00 1.00 0.00 0.00 64.86 64.06 1fgr h ILE 412 Cb 0.85 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.76 1fgr h ILE 412 CO 0.04 0.51 -1.64 0.49 0.00 0.00 0.00 178.15 177.56 1fgr n PHE 413 N -4.23 0.66 -0.29 1.37 3.01 -0.50 -4.46 117.46 113.02 1fgr n PHE 413 Ca -0.06 0.21 0.07 0.00 1.01 0.00 0.00 57.45 58.69 1fgr n PHE 413 Cb 0.54 -0.96 0.23 0.00 -0.01 0.00 0.00 39.48 39.27 1fgr n PHE 413 CO 0.00 0.00 0.00 1.98 1.01 0.00 0.00 176.76 179.75 1fgr h MET 414 N 0.00 0.52 0.00 -1.08 4.05 -1.49 -0.33 114.93 116.60 1fgr h MET 414 Ca -0.18 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.20 1fgr h MET 414 Cb 1.54 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 32.22 1fgr h MET 414 CO 0.03 0.34 -0.00 -1.35 0.23 0.00 0.00 176.91 176.16 1fgr h PRO 415 N 0.53 0.00 -0.01 0.39 0.11 -1.78 -2.74 132.00 128.51 1fgr h PRO 415 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1fgr h PRO 415 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1fgr h PRO 415 CO -0.40 0.00 -0.38 0.66 -0.21 0.00 0.00 178.00 177.68 1fgr n TYR 416 N -3.23 0.00 -0.16 0.65 4.02 -0.19 -4.68 117.16 113.57 1fgr n TYR 416 Ca -0.03 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.79 1fgr n TYR 416 Cb 0.09 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.43 1fgr n TYR 416 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1fgr h VAL 417 N 1.29 1.13 -0.13 -0.72 2.07 -1.09 -1.03 116.25 117.78 1fgr h VAL 417 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1fgr h VAL 417 Cb 0.46 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1fgr h VAL 417 CO 0.00 0.13 0.07 -0.09 0.02 0.00 0.00 177.57 177.70 1fgr h ARG 418 N 0.66 0.15 -0.16 1.57 2.43 -1.83 0.77 114.38 117.96 1fgr h ARG 418 Ca 0.18 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1fgr h ARG 418 Cb -0.07 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1fgr h ARG 418 CO -0.04 0.10 -0.44 -0.56 -1.51 0.00 0.00 179.97 177.53 1fgr h GLN 419 N 0.15 0.39 -0.23 0.20 3.07 -1.84 -2.42 115.11 114.44 1fgr h GLN 419 Ca 0.05 -0.20 -0.06 0.00 0.09 0.00 0.00 58.65 58.53 1fgr h GLN 419 Cb -0.00 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1fgr h GLN 419 CO -0.02 0.76 -0.08 0.82 0.09 0.00 0.00 178.83 180.39 1fgr h ILE 420 N 0.32 1.30 0.00 1.86 2.04 -0.96 -2.96 117.51 119.10 1fgr h ILE 420 Ca 0.02 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1fgr h ILE 420 Cb 0.90 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1fgr h ILE 420 CO 0.08 0.35 0.00 0.59 0.00 0.00 0.00 178.15 179.16 1fgr n ASN 421 N -4.55 0.52 0.08 1.72 4.13 0.24 -1.25 115.26 116.16 1fgr n ASN 421 Ca -0.04 0.66 0.13 0.00 1.68 0.00 0.00 54.58 57.01 1fgr n ASN 421 Cb 0.32 -0.76 0.46 0.00 -1.54 0.00 0.00 39.78 38.26 1fgr n ASN 421 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fgr n GLN 422 N -2.11 0.18 -2.41 3.52 1.13 -0.93 -4.84 117.38 111.93 1fgr n GLN 422 Ca 0.01 0.17 -0.33 0.00 -1.94 0.00 0.00 57.00 54.92 1fgr n GLN 422 Cb 0.16 -1.72 -0.03 0.00 0.11 0.00 0.00 30.24 28.75 1fgr n GLN 422 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1fgr s LEU 423 N -4.10 3.69 0.34 1.08 1.43 -0.38 -5.02 118.68 115.72 1fgr s LEU 423 Ca 0.11 1.72 -0.27 0.00 -1.03 0.00 0.00 54.13 54.66 1fgr s LEU 423 Cb 0.14 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 1fgr s LEU 423 CO 0.56 -0.73 1.07 0.20 0.23 0.00 0.00 176.35 177.68 1fgr s ASN 424 N -2.65 7.01 -1.88 2.29 0.01 -1.26 -3.31 114.94 115.15 1fgr s ASN 424 Ca 0.62 2.16 0.00 0.00 -0.71 0.00 0.00 52.86 54.93 1fgr s ASN 424 Cb -0.12 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.93 1fgr s ASN 424 CO 0.28 -0.32 0.00 -1.20 -1.51 0.00 0.00 177.10 174.35 1fgr n SER 425 N 0.57 -5.16 -3.82 -1.22 7.64 -1.26 -4.97 113.62 105.40 1fgr n SER 425 Ca 0.02 0.32 -0.21 0.00 1.01 0.00 0.00 58.87 60.01 1fgr n SER 425 Cb 0.47 -4.50 -0.17 0.00 -1.01 0.00 0.00 64.21 59.00 1fgr n SER 425 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fgr s ALA 426 N -2.73 0.60 -0.14 -0.43 0.00 -1.21 -4.41 121.76 113.44 1fgr s ALA 426 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.86 1fgr s ALA 426 Cb 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.63 1fgr s ALA 426 CO 0.00 -0.22 0.32 0.15 0.00 0.00 0.00 175.76 176.01 1fgr s LYS 427 N 1.40 0.29 0.20 0.00 -0.14 -0.64 -4.29 119.74 116.57 1fgr s LYS 427 Ca -0.04 0.65 -0.01 0.00 -1.36 0.00 0.00 55.97 55.21 1fgr s LYS 427 Cb -0.13 -0.07 -0.04 0.00 -1.68 0.00 0.00 37.83 35.91 1fgr s LYS 427 CO -0.03 -0.16 0.15 -0.08 -0.76 0.00 0.00 175.35 174.47 1fgr s THR 428 N 1.36 0.00 0.23 2.17 -1.32 -1.26 -4.00 115.64 112.82 1fgr s THR 428 Ca -0.09 -1.97 0.10 0.00 -1.21 0.00 0.00 61.69 58.51 1fgr s THR 428 Cb -0.10 -2.49 -0.05 0.00 -1.51 0.00 0.00 72.50 68.36 1fgr s THR 428 CO -0.10 0.00 -0.17 -0.31 -2.21 0.00 0.00 174.62 171.82 1fgr s TYR 429 N -4.14 1.97 -0.42 9.09 2.02 -1.26 -4.95 117.35 119.66 1fgr s TYR 429 Ca 0.38 -0.46 -0.19 0.00 -0.37 0.00 0.00 57.07 56.44 1fgr s TYR 429 Cb 0.07 -0.89 0.02 0.00 -0.40 0.00 0.00 41.96 40.75 1fgr s TYR 429 CO 0.12 0.51 0.52 0.00 -1.57 0.00 0.00 175.55 175.13 1fgr s ALA 430 N -2.67 3.40 0.22 3.71 0.00 -0.02 -4.86 121.76 121.54 1fgr s ALA 430 Ca 0.25 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 50.88 1fgr s ALA 430 Cb -0.03 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1fgr s ALA 430 CO 0.10 -1.63 0.37 0.95 0.00 0.00 0.00 175.76 175.55 1fgr s THR 431 N 2.42 5.25 -0.03 0.00 -4.23 -1.26 -1.68 115.64 116.11 1fgr s THR 431 Ca 0.17 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 59.92 1fgr s THR 431 Cb -0.16 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 69.91 1fgr s THR 431 CO 0.16 -0.27 0.06 -0.60 -0.54 0.00 0.00 174.62 173.43 1fgr s ARG 432 N -3.72 -0.01 -0.09 3.99 3.52 -0.61 -0.71 118.95 121.32 1fgr s ARG 432 Ca 0.35 0.25 0.04 0.00 -0.13 0.00 0.00 55.73 56.24 1fgr s ARG 432 Cb -0.10 -0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.04 1fgr s ARG 432 CO 0.30 -0.18 -0.21 0.99 -0.81 0.00 0.00 175.30 175.39 1fgr s THR 433 N 1.16 2.37 -0.16 4.11 2.01 -0.52 -0.40 115.64 124.20 1fgr s THR 433 Ca -0.08 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 60.91 1fgr s THR 433 Cb -0.13 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1fgr s THR 433 CO -0.04 0.56 0.12 -0.63 -0.69 0.00 0.00 174.62 173.94 1fgr s ILE 434 N 0.12 5.30 0.06 1.82 -1.09 -0.18 -1.17 121.20 126.06 1fgr s ILE 434 Ca -0.11 0.14 0.08 0.00 -2.23 0.00 0.00 60.65 58.54 1fgr s ILE 434 Cb -0.16 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 1fgr s ILE 434 CO 0.06 0.51 -0.23 -0.76 -1.23 0.00 0.00 174.94 173.29 1fgr s LEU 435 N -0.18 2.19 -0.07 2.97 1.43 0.13 -0.99 118.68 124.16 1fgr s LEU 435 Ca 0.10 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1fgr s LEU 435 Cb -0.12 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 1fgr s LEU 435 CO 0.01 0.19 -0.24 0.12 0.23 0.00 0.00 176.35 176.66 1fgr s PHE 436 N -0.85 2.49 -0.46 0.29 5.36 0.10 -0.98 117.98 123.92 1fgr s PHE 436 Ca 0.10 -0.75 -0.24 0.00 -0.96 0.00 0.00 56.93 55.07 1fgr s PHE 436 Cb -0.09 -1.63 0.03 0.00 -0.34 0.00 0.00 43.02 40.98 1fgr s PHE 436 CO 0.02 -0.23 0.86 -1.17 -1.46 0.00 0.00 175.22 173.24 1fgr s LEU 437 N -0.08 4.13 0.80 6.12 2.96 0.12 -0.83 118.68 131.90 1fgr s LEU 437 Ca -0.06 -0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 53.71 1fgr s LEU 437 Cb -0.14 -3.06 0.07 0.00 0.50 0.00 0.00 46.19 43.56 1fgr s LEU 437 CO 0.05 -1.00 1.09 -0.13 -1.32 0.00 0.00 176.35 175.03 1fgr s ARG 438 N 3.55 2.06 0.56 1.98 0.52 0.20 -4.89 118.95 122.94 1fgr s ARG 438 Ca 0.33 1.02 0.25 0.00 -0.52 0.00 0.00 55.73 56.81 1fgr s ARG 438 Cb -0.11 -1.89 1.60 0.00 0.52 0.00 0.00 34.95 35.07 1fgr s ARG 438 CO 0.24 -1.74 2.20 0.93 0.02 0.00 0.00 175.30 176.95 1fgr h GLU 439 N -1.19 0.00 0.00 3.54 5.08 -1.96 0.12 114.58 120.17 1fgr h GLU 439 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1fgr h GLU 439 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1fgr h GLU 439 CO 0.53 0.02 0.00 -0.40 -1.00 0.00 0.00 179.01 178.16 1fgr n ASP 440 N -4.05 0.00 0.00 1.42 5.68 -1.26 -4.89 116.55 113.45 1fgr n ASP 440 Ca -0.03 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 1fgr n ASP 440 Cb 0.10 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1fgr n ASP 440 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fgr n GLY 441 N 0.78 0.78 3.93 6.12 0.00 0.03 -5.05 105.19 111.79 1fgr n GLY 441 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1fgr n GLY 441 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fgr s THR 442 N -3.13 5.09 0.09 2.61 -4.23 -1.26 -4.79 115.64 110.02 1fgr s THR 442 Ca 0.00 -0.99 -0.13 0.00 -1.18 0.00 0.00 61.69 59.39 1fgr s THR 442 Cb 0.00 -3.72 -0.06 0.00 1.34 0.00 0.00 72.50 70.06 1fgr s THR 442 CO 0.00 -0.26 0.46 -0.76 -0.54 0.00 0.00 174.62 173.53 1fgr s LEU 443 N -3.71 4.38 -0.01 4.79 1.43 -1.26 -0.62 118.68 123.67 1fgr s LEU 443 Ca 0.34 0.95 0.04 0.00 -1.03 0.00 0.00 54.13 54.43 1fgr s LEU 443 Cb -0.09 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.12 1fgr s LEU 443 CO 0.28 0.18 -0.12 -1.59 0.23 0.00 0.00 176.35 175.33 1fgr s LYS 444 N -1.72 0.99 0.07 1.70 -2.85 -0.01 -4.68 119.74 113.25 1fgr s LYS 444 Ca 0.33 -0.42 -0.30 0.00 -1.00 0.00 0.00 55.97 54.57 1fgr s LYS 444 Cb -0.15 -0.95 -0.05 0.00 -2.06 0.00 0.00 37.83 34.62 1fgr s LYS 444 CO 0.18 0.25 1.02 -1.25 0.10 0.00 0.00 175.35 175.64 1fgr s PRO 445 N -0.23 4.60 -0.00 1.78 0.04 -1.26 -0.72 135.00 139.19 1fgr s PRO 445 Ca 0.04 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.63 1fgr s PRO 445 Cb -0.05 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 1fgr s PRO 445 CO -0.00 0.03 0.09 1.33 0.04 0.00 0.00 177.00 178.49 1fgr n VAL 446 N 3.29 0.00 -3.59 -0.36 0.24 -0.16 -4.84 118.33 112.91 1fgr n VAL 446 Ca 0.05 -0.29 -0.10 0.00 -2.04 0.00 0.00 64.34 61.96 1fgr n VAL 446 Cb 0.49 0.78 -0.05 0.00 -1.47 0.00 0.00 33.84 33.58 1fgr n VAL 446 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fgr s ALA 447 N -1.63 -1.96 -0.07 2.33 0.00 -1.22 -4.47 121.76 114.76 1fgr s ALA 447 Ca 0.00 1.64 0.01 0.00 0.00 0.00 0.00 51.96 53.62 1fgr s ALA 447 Cb 0.02 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.28 1fgr s ALA 447 CO 0.11 -0.29 -0.08 0.42 0.00 0.00 0.00 175.76 175.92 1fgr s ILE 448 N -0.94 0.90 -0.19 0.00 1.01 -0.45 -1.02 121.20 120.52 1fgr s ILE 448 Ca -0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 1fgr s ILE 448 Cb -0.01 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 1fgr s ILE 448 CO -0.00 0.31 0.03 -0.70 0.00 0.00 0.00 174.94 174.58 1fgr s GLU 449 N 1.01 3.80 -0.43 2.79 2.12 0.46 -0.55 118.70 127.89 1fgr s GLU 449 Ca -0.09 -0.43 -0.05 0.00 0.36 0.00 0.00 54.97 54.75 1fgr s GLU 449 Cb -0.15 -3.15 0.11 0.00 0.26 0.00 0.00 34.13 31.21 1fgr s GLU 449 CO -0.00 0.15 0.25 -0.51 -0.54 0.00 0.00 175.26 174.61 1fgr s LEU 450 N 0.68 5.39 0.01 2.70 1.43 0.45 -1.57 118.68 127.76 1fgr s LEU 450 Ca 0.02 -1.95 -0.00 0.00 -1.03 0.00 0.00 54.13 51.16 1fgr s LEU 450 Cb -0.14 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1fgr s LEU 450 CO 0.02 -0.59 0.09 -0.44 0.23 0.00 0.00 176.35 175.66 1fgr s SER 451 N 2.13 5.72 0.07 2.29 0.01 -0.68 -1.03 113.70 122.22 1fgr s SER 451 Ca 0.07 0.15 0.05 0.00 1.31 0.00 0.00 55.95 57.53 1fgr s SER 451 Cb -0.24 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.32 1fgr s SER 451 CO -0.03 0.26 -0.14 -0.76 0.41 0.00 0.00 173.24 172.98 1fgr s LEU 452 N -1.83 2.28 0.48 2.44 1.43 -1.26 -0.84 118.68 121.38 1fgr s LEU 452 Ca 0.24 -0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 52.51 1fgr s LEU 452 Cb -0.12 -0.53 -0.09 0.00 0.03 0.00 0.00 46.19 45.48 1fgr s LEU 452 CO 0.15 -0.07 1.01 -2.84 0.23 0.00 0.00 176.35 174.82 1fgr s PRO 453 N -1.78 3.92 -0.05 1.29 0.02 -1.26 -4.76 135.00 132.38 1fgr s PRO 453 Ca -0.01 1.25 0.01 0.00 0.02 0.00 0.00 61.00 62.26 1fgr s PRO 453 Cb -0.10 -2.12 0.02 0.00 0.02 0.00 0.00 34.50 32.32 1fgr s PRO 453 CO 0.02 -0.31 -0.04 -1.01 -0.33 0.00 0.00 177.00 175.33 1fgr s HIS 454 N -2.12 0.74 0.08 6.54 3.76 -0.39 -5.02 115.29 118.89 1fgr s HIS 454 Ca 0.65 -0.20 -0.03 0.00 -0.15 0.00 0.00 55.06 55.32 1fgr s HIS 454 Cb -0.13 -0.67 -0.03 0.00 1.11 0.00 0.00 32.58 32.86 1fgr s HIS 454 CO 0.19 -0.20 0.06 -1.54 -0.85 0.00 0.00 174.74 172.41 1fgr s SER 455 N 0.95 0.34 0.31 1.40 1.04 -1.26 -2.77 113.70 113.72 1fgr s SER 455 Ca -0.11 -0.97 -0.30 0.00 0.48 0.00 0.00 55.95 55.06 1fgr s SER 455 Cb -0.14 0.27 -0.11 0.00 0.10 0.00 0.00 66.02 66.13 1fgr s SER 455 CO -0.00 -0.68 1.59 0.00 0.98 0.00 0.00 173.24 175.13 1fgr n ALA 456 N 0.00 2.59 -0.81 5.32 0.00 -1.26 -2.35 120.51 124.00 1fgr n ALA 456 Ca -0.12 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1fgr n ALA 456 Cb 0.62 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1fgr n ALA 456 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fgr n GLY 457 N 1.82 0.72 3.69 0.00 0.00 -1.26 -5.00 105.19 105.16 1fgr n GLY 457 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1fgr n GLY 457 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fgr n ASP 458 N 0.00 3.59 0.05 1.61 8.00 -0.99 -4.86 116.55 123.94 1fgr n ASP 458 Ca 0.00 1.05 -0.10 0.00 0.71 0.00 0.00 54.79 56.45 1fgr n ASP 458 Cb 0.00 -1.49 0.03 0.00 -0.02 0.00 0.00 41.12 39.64 1fgr n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1fgr h LEU 459 N 6.94 0.48 -9.75 0.64 3.38 -1.94 -3.45 115.31 111.61 1fgr h LEU 459 Ca -0.45 -0.31 -0.51 0.00 0.09 0.00 0.00 57.88 56.70 1fgr h LEU 459 Cb 1.23 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.85 1fgr h LEU 459 CO 0.93 1.05 0.47 -0.55 0.09 0.00 0.00 178.44 180.43 1fgr s SER 460 N -6.97 7.28 0.00 -0.43 0.15 -1.26 -4.95 113.70 107.52 1fgr s SER 460 Ca -0.06 2.19 0.24 0.00 0.70 0.00 0.00 55.95 59.03 1fgr s SER 460 Cb 0.10 -2.62 0.31 0.00 -1.71 0.00 0.00 66.02 62.11 1fgr s SER 460 CO 0.84 -0.16 1.30 0.00 1.20 0.00 0.00 173.24 176.42 1fgr n ALA 461 N 1.66 3.12 -1.77 5.45 0.00 -1.26 -4.96 120.51 122.74 1fgr n ALA 461 Ca 0.00 -0.58 -0.40 0.00 0.00 0.00 0.00 53.44 52.46 1fgr n ALA 461 Cb 0.45 -0.91 0.01 0.00 0.00 0.00 0.00 19.45 19.00 1fgr n ALA 461 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fgr s ALA 462 N -2.33 3.33 0.25 0.00 0.00 -1.26 -5.01 121.76 116.73 1fgr s ALA 462 Ca 0.24 1.41 0.04 0.00 0.00 0.00 0.00 51.96 53.65 1fgr s ALA 462 Cb 0.19 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 1fgr s ALA 462 CO 0.48 -1.04 -0.00 0.14 0.00 0.00 0.00 175.76 175.34 1fgr s VAL 463 N -1.20 1.15 0.56 0.00 -7.23 -1.26 -5.03 120.40 107.40 1fgr s VAL 463 Ca 0.58 -2.04 -0.19 0.00 -1.81 0.00 0.00 61.98 58.51 1fgr s VAL 463 Cb -0.43 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 1fgr s VAL 463 CO 0.55 -0.26 1.18 -0.44 -0.31 0.00 0.00 175.10 175.82 1fgr s SER 464 N -3.36 5.46 0.10 4.85 0.01 -1.26 -4.86 113.70 114.64 1fgr s SER 464 Ca 0.30 2.33 -0.16 0.00 1.31 0.00 0.00 55.95 59.72 1fgr s SER 464 Cb 0.06 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.73 1fgr s SER 464 CO 0.10 -1.41 0.39 0.00 0.41 0.00 0.00 173.24 172.74 1fgr s GLN 465 N -3.24 1.01 -0.13 12.44 -2.07 -0.19 -5.01 119.66 122.46 1fgr s GLN 465 Ca 0.74 -0.60 -0.03 0.00 -1.82 0.00 0.00 55.36 53.66 1fgr s GLN 465 Cb -0.28 0.44 -0.03 0.00 -1.09 0.00 0.00 33.01 32.05 1fgr s GLN 465 CO 0.32 -0.37 -0.03 0.08 -1.32 0.00 0.00 175.29 173.96 1fgr s VAL 466 N -3.35 4.00 -0.05 3.63 1.01 -1.26 -0.41 120.40 123.97 1fgr s VAL 466 Ca 0.00 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1fgr s VAL 466 Cb 0.01 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1fgr s VAL 466 CO -0.09 0.53 -0.22 -0.69 0.00 0.00 0.00 175.10 174.64 1fgr s VAL 467 N -0.08 1.81 0.21 2.92 1.01 0.28 -4.99 120.40 121.56 1fgr s VAL 467 Ca 0.02 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1fgr s VAL 467 Cb -0.13 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1fgr s VAL 467 CO 0.02 0.51 0.03 -0.76 0.00 0.00 0.00 175.10 174.91 1fgr s LEU 468 N -0.05 3.39 0.44 3.92 1.43 -1.26 -1.34 118.68 125.20 1fgr s LEU 468 Ca -0.05 -0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 52.39 1fgr s LEU 468 Cb -0.13 -1.99 -0.10 0.00 0.03 0.00 0.00 46.19 44.01 1fgr s LEU 468 CO 0.03 0.05 1.11 -2.65 0.23 0.00 0.00 176.35 175.12 1fgr n PRO 469 N -0.47 1.52 -3.66 1.29 -0.02 -1.26 -4.73 135.00 127.66 1fgr n PRO 469 Ca -0.08 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 61.81 1fgr n PRO 469 Cb 0.56 -2.18 -0.08 0.00 -0.02 0.00 0.00 33.50 31.78 1fgr n PRO 469 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fgr s ALA 470 N -1.27 -1.60 -0.22 3.55 0.00 -1.26 -5.03 121.76 115.94 1fgr s ALA 470 Ca 0.64 1.86 0.17 0.00 0.00 0.00 0.00 51.96 54.63 1fgr s ALA 470 Cb -0.52 -1.08 -0.24 0.00 0.00 0.00 0.00 23.12 21.27 1fgr s ALA 470 CO 0.56 -0.31 0.46 1.63 0.00 0.00 0.00 175.76 178.11 1fgr n LYS 471 N 2.94 0.78 -4.36 0.00 5.02 -1.26 -4.25 118.16 117.03 1fgr n LYS 471 Ca -0.15 -0.12 -0.19 0.00 -2.02 0.00 0.00 58.31 55.84 1fgr n LYS 471 Cb 0.56 -1.38 -0.10 0.00 -0.02 0.00 0.00 35.03 34.09 1fgr n LYS 471 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1fgr s GLU 472 N -3.03 1.38 1.16 1.97 2.02 -1.26 -4.82 118.70 116.12 1fgr s GLU 472 Ca -0.03 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 53.30 1fgr s GLU 472 Cb 0.11 -0.99 0.00 0.00 0.10 0.00 0.00 34.13 33.36 1fgr s GLU 472 CO 0.71 0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.46 1fgr n GLY 473 N -0.44 -1.65 0.27 -1.39 0.00 -1.26 -2.53 105.19 98.19 1fgr n GLY 473 Ca -0.07 -1.24 0.12 0.00 0.00 0.00 0.00 46.02 44.84 1fgr n GLY 473 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1fgr h VAL 474 N -0.19 0.65 -0.54 1.61 3.04 -1.93 -1.00 116.25 117.88 1fgr h VAL 474 Ca 0.00 -0.31 -0.03 0.00 -1.01 0.00 0.00 66.70 65.36 1fgr h VAL 474 Cb 0.19 1.19 -0.03 0.00 -2.01 0.00 0.00 31.29 30.63 1fgr h VAL 474 CO 0.00 0.07 0.21 -0.33 -1.01 0.00 0.00 177.57 176.51 1fgr h GLU 475 N 0.00 0.78 -0.06 4.17 3.07 -1.96 -0.34 114.58 120.24 1fgr h GLU 475 Ca -0.00 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.63 1fgr h GLU 475 Cb 0.18 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1fgr h GLU 475 CO 0.01 0.65 -0.46 0.66 -1.40 0.00 0.00 179.01 178.47 1fgr h SER 476 N 0.77 0.15 -0.20 1.42 4.64 -0.88 -1.12 113.55 118.33 1fgr h SER 476 Ca 0.18 -0.07 -0.19 0.00 -0.47 0.00 0.00 61.79 61.25 1fgr h SER 476 Cb 0.17 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1fgr h SER 476 CO -0.02 0.60 -0.60 0.74 -0.87 0.00 0.00 176.83 176.68 1fgr h THR 477 N 0.12 1.28 -0.72 2.95 2.02 -1.17 -1.00 112.91 116.39 1fgr h THR 477 Ca 0.01 -1.80 -0.06 0.00 0.77 0.00 0.00 66.41 65.33 1fgr h THR 477 Cb 0.87 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.98 1fgr h THR 477 CO 0.07 0.58 0.22 0.40 0.37 0.00 0.00 175.52 177.15 1fgr h ILE 478 N 0.60 1.26 -0.61 3.11 2.04 -0.91 -0.32 117.51 122.68 1fgr h ILE 478 Ca -0.00 -0.91 -0.10 0.00 1.00 0.00 0.00 64.86 64.86 1fgr h ILE 478 Cb 1.21 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1fgr h ILE 478 CO 0.13 0.35 0.01 -0.25 0.00 0.00 0.00 178.15 178.39 1fgr h TRP 479 N 1.06 1.17 -0.81 1.37 2.91 -1.09 0.78 115.95 121.34 1fgr h TRP 479 Ca 0.23 -0.20 -0.03 0.00 1.13 0.00 0.00 58.89 60.02 1fgr h TRP 479 Cb 0.31 -0.31 -0.04 0.00 -0.51 0.00 0.00 29.16 28.62 1fgr h TRP 479 CO 0.03 1.03 0.38 1.25 -1.03 0.00 0.00 178.44 180.09 1fgr h LEU 480 N 0.98 1.08 -0.57 0.65 5.85 -0.80 -1.40 115.31 121.09 1fgr h LEU 480 Ca 0.17 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1fgr h LEU 480 Cb 0.55 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1fgr h LEU 480 CO 0.03 0.92 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.93 1fgr h LEU 481 N 1.16 1.03 -1.03 2.25 3.38 -0.77 -1.61 115.31 119.72 1fgr h LEU 481 Ca 0.28 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1fgr h LEU 481 Cb 0.14 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1fgr h LEU 481 CO -0.03 1.11 0.66 0.00 0.09 0.00 0.00 178.44 180.26 1fgr h ALA 482 N 0.95 1.30 -0.61 1.53 0.00 -0.49 -0.14 119.26 121.80 1fgr h ALA 482 Ca 0.15 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1fgr h ALA 482 Cb 0.61 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1fgr h ALA 482 CO 0.04 0.64 0.16 0.87 0.00 0.00 0.00 179.25 180.96 1fgr h LYS 483 N 1.33 0.95 -0.67 0.00 1.57 -0.89 -1.80 116.57 117.06 1fgr h LYS 483 Ca 0.37 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1fgr h LYS 483 Cb -0.13 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 1fgr h LYS 483 CO -0.09 0.84 0.30 0.00 -0.57 0.00 0.00 179.45 179.93 1fgr h ALA 484 N 1.26 0.87 -0.84 3.86 0.00 -0.19 -0.22 119.26 124.00 1fgr h ALA 484 Ca 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1fgr h ALA 484 Cb 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1fgr h ALA 484 CO -0.00 0.46 0.39 1.88 0.00 0.00 0.00 179.25 181.97 1fgr h TYR 485 N 0.94 1.22 -0.15 0.00 0.05 -0.71 -0.14 116.97 118.17 1fgr h TYR 485 Ca 0.23 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 1fgr h TYR 485 Cb 0.16 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 1fgr h TYR 485 CO 0.01 0.89 0.08 0.28 -1.05 0.00 0.00 178.16 178.36 1fgr h VAL 486 N 1.20 1.12 0.00 -2.88 2.07 -0.96 -2.15 116.25 114.64 1fgr h VAL 486 Ca 0.29 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 1fgr h VAL 486 Cb 0.14 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1fgr h VAL 486 CO -0.03 0.11 -0.26 0.40 0.02 0.00 0.00 177.57 177.81 1fgr h ILE 487 N 0.12 0.95 -0.40 4.57 1.08 -0.65 0.36 117.51 123.53 1fgr h ILE 487 Ca 0.05 -0.97 -0.03 0.00 -0.39 0.00 0.00 64.86 63.52 1fgr h ILE 487 Cb 0.11 1.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.40 1fgr h ILE 487 CO -0.01 0.25 0.14 0.58 -0.69 0.00 0.00 178.15 178.42 1fgr h VAL 488 N 0.00 1.21 -0.27 1.67 2.07 -0.80 0.43 116.25 120.56 1fgr h VAL 488 Ca -0.00 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 66.85 1fgr h VAL 488 Cb 0.54 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1fgr h VAL 488 CO 0.03 0.24 0.14 0.78 0.02 0.00 0.00 177.57 178.79 1fgr h ASN 489 N 0.51 0.21 -0.78 0.57 -0.26 -0.72 -1.69 115.58 113.42 1fgr h ASN 489 Ca 0.13 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.84 1fgr h ASN 489 Cb 0.24 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.44 1fgr h ASN 489 CO -0.01 0.16 0.31 -0.78 -1.06 0.00 0.00 177.43 176.05 1fgr h ASP 490 N 0.29 1.08 -0.63 5.81 3.58 -0.56 -0.53 116.42 125.46 1fgr h ASP 490 Ca 0.11 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 1fgr h ASP 490 Cb 0.03 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 1fgr h ASP 490 CO -0.07 0.96 0.15 0.28 -2.88 0.00 0.00 179.24 177.68 1fgr h SER 491 N 1.14 0.96 -0.19 2.28 0.02 0.05 0.30 113.55 118.11 1fgr h SER 491 Ca 0.26 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1fgr h SER 491 Cb 0.22 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1fgr h SER 491 CO -0.02 0.94 0.04 0.00 -1.14 0.00 0.00 176.83 176.65 1fgr h TYR 493 N 0.11 1.11 -0.14 0.00 3.20 -0.90 -1.33 116.97 119.01 1fgr h TYR 493 Ca 0.06 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1fgr h TYR 493 Cb 0.28 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1fgr h TYR 493 CO 0.01 0.86 0.08 1.25 -1.64 0.00 0.00 178.16 178.72 1fgr h HIS 494 N 1.03 0.19 -0.33 -3.82 2.76 -0.27 0.86 115.15 115.58 1fgr h HIS 494 Ca 0.23 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.33 1fgr h HIS 494 Cb 0.24 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 1fgr h HIS 494 CO 0.02 0.21 -0.06 0.37 -1.30 0.00 0.00 177.93 177.17 1fgr h GLN 495 N 0.12 0.61 0.12 5.26 5.75 -0.88 0.99 115.11 127.08 1fgr h GLN 495 Ca 0.05 -0.23 -0.31 0.00 -0.15 0.00 0.00 58.65 58.02 1fgr h GLN 495 Cb 0.08 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1fgr h GLN 495 CO -0.01 0.78 -1.55 -0.07 -2.65 0.00 0.00 178.83 175.34 1fgr h LEU 496 N 0.40 0.38 0.00 -2.39 3.38 -1.27 -1.75 115.31 114.06 1fgr h LEU 496 Ca 0.08 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 1fgr h LEU 496 Cb 0.54 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1fgr h LEU 496 CO 0.03 1.45 -0.71 0.23 0.09 0.00 0.00 178.44 179.53 1fgr n MET 497 N -3.45 0.37 -0.16 1.13 2.81 0.23 -1.03 117.12 117.03 1fgr n MET 497 Ca -0.17 0.15 -0.01 0.00 -1.81 0.00 0.00 57.70 55.86 1fgr n MET 497 Cb 1.04 -1.15 0.24 0.00 -0.71 0.00 0.00 33.22 32.64 1fgr n MET 497 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1fgr h SER 498 N -0.70 0.78 0.00 7.83 0.02 -1.25 -0.41 113.55 119.82 1fgr h SER 498 Ca -0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1fgr h SER 498 Cb 0.71 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1fgr h SER 498 CO -0.00 0.66 0.00 1.57 -1.14 0.00 0.00 176.83 177.92 1fgr n HIS 499 N -4.36 0.00 0.38 3.45 -0.00 0.33 -4.27 115.22 110.75 1fgr n HIS 499 Ca 0.06 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.59 1fgr n HIS 499 Cb 0.12 -0.08 -0.09 0.00 -0.00 0.00 0.00 29.99 29.94 1fgr n HIS 499 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.34 178.69 1fgr h TRP 500 N 0.00 -1.16 0.35 1.57 2.91 -1.42 -2.42 115.95 115.78 1fgr h TRP 500 Ca 0.00 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 1fgr h TRP 500 Cb 0.00 0.42 0.00 0.00 -0.51 0.00 0.00 29.16 29.07 1fgr h TRP 500 CO 0.00 -0.65 -0.17 1.25 -1.03 0.00 0.00 178.44 177.84 1fgr h LEU 501 N -1.06 -0.40 -1.52 0.65 5.85 -1.04 -0.04 115.31 117.75 1fgr h LEU 501 Ca -0.09 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1fgr h LEU 501 Cb 0.86 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1fgr h LEU 501 CO 0.08 -0.07 -0.08 0.78 -0.34 0.00 0.00 178.44 178.81 1fgr h ASN 502 N -0.75 0.00 0.00 1.25 2.35 -1.18 -0.58 115.58 116.66 1fgr h ASN 502 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1fgr h ASN 502 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1fgr h ASN 502 CO 0.08 0.08 0.00 0.35 -1.65 0.00 0.00 177.43 176.29 1fgr n THR 503 N -3.25 0.00 -0.05 2.81 -2.24 -0.91 -4.58 114.28 106.05 1fgr n THR 503 Ca -0.00 0.09 -0.12 0.00 -2.27 0.00 0.00 64.05 61.74 1fgr n THR 503 Cb 0.32 -0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 67.56 1fgr n THR 503 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1fgr h HIS 504 N 0.00 -1.32 -0.15 4.78 3.86 -1.52 -1.37 115.15 119.43 1fgr h HIS 504 Ca 0.00 0.06 -0.20 0.00 -1.16 0.00 0.00 60.37 59.06 1fgr h HIS 504 Cb 0.00 0.61 0.01 0.00 1.06 0.00 0.00 27.41 29.09 1fgr h HIS 504 CO 0.00 -0.48 -0.71 0.00 0.86 0.00 0.00 177.93 177.60 1fgr h ALA 505 N 0.14 0.28 -0.11 2.45 0.00 -1.06 -3.13 119.26 117.82 1fgr h ALA 505 Ca 0.09 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1fgr h ALA 505 Cb 0.62 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1fgr h ALA 505 CO -0.47 0.61 -0.20 0.00 0.00 0.00 0.00 179.25 179.19 1fgr h ALA 506 N 0.53 1.46 0.03 0.00 0.00 -1.01 -3.17 119.26 117.10 1fgr h ALA 506 Ca -0.05 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 1fgr h ALA 506 Cb 1.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1fgr h ALA 506 CO 0.15 0.38 -1.03 1.98 0.00 0.00 0.00 179.25 180.73 1fgr h MET 507 N 0.18 0.06 -0.78 0.00 4.05 -1.27 -3.37 114.93 113.79 1fgr h MET 507 Ca 0.03 -0.10 0.10 0.00 -0.28 0.00 0.00 59.70 59.45 1fgr h MET 507 Cb 0.46 0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 31.22 1fgr h MET 507 CO 0.03 1.03 0.42 1.49 0.23 0.00 0.00 176.91 180.11 1fgr h GLU 508 N 0.02 0.67 -0.51 0.39 4.81 -1.51 -1.02 114.58 117.43 1fgr h GLU 508 Ca -0.04 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1fgr h GLU 508 Cb 1.78 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.98 1fgr h GLU 508 CO 0.14 0.44 0.34 -1.35 -0.73 0.00 0.00 179.01 177.86 1fgr h PRO 509 N 0.69 0.45 -0.05 0.92 0.11 -1.73 -1.18 132.00 131.21 1fgr h PRO 509 Ca 0.39 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.32 1fgr h PRO 509 Cb 0.40 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1fgr h PRO 509 CO -0.27 0.29 -0.65 0.74 -0.21 0.00 0.00 178.00 177.90 1fgr h PHE 510 N 0.46 0.26 -0.12 0.65 0.04 -1.42 -1.74 116.94 115.07 1fgr h PHE 510 Ca 0.22 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1fgr h PHE 510 Cb 0.28 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 1fgr h PHE 510 CO -0.00 0.79 0.02 0.28 -0.60 0.00 0.00 178.31 178.80 1fgr h VAL 511 N 0.14 1.21 0.20 -0.55 2.07 -0.90 -1.81 116.25 116.62 1fgr h VAL 511 Ca -0.01 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1fgr h VAL 511 Cb 1.17 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1fgr h VAL 511 CO 0.10 0.20 -0.13 0.40 0.02 0.00 0.00 177.57 178.15 1fgr h ILE 512 N -0.02 0.71 -0.86 4.57 2.04 -1.31 -2.50 117.51 120.14 1fgr h ILE 512 Ca 0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.00 1fgr h ILE 512 Cb 0.28 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1fgr h ILE 512 CO 0.00 0.00 0.50 0.00 0.00 0.00 0.00 178.15 178.65 1fgr h ALA 513 N 0.45 1.23 -0.38 1.87 0.00 -1.29 -1.14 119.26 120.00 1fgr h ALA 513 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1fgr h ALA 513 Cb 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1fgr h ALA 513 CO 0.01 0.12 0.25 1.15 0.00 0.00 0.00 179.25 180.78 1fgr h THR 514 N 0.83 1.09 0.00 0.00 2.02 -1.09 -0.59 112.91 115.18 1fgr h THR 514 Ca 0.41 -0.17 -0.14 0.00 0.77 0.00 0.00 66.41 67.28 1fgr h THR 514 Cb 0.38 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1fgr h THR 514 CO -0.25 0.09 -0.68 0.45 0.37 0.00 0.00 175.52 175.51 1fgr h HIS 515 N 0.51 0.00 0.00 3.16 3.86 -0.99 -0.93 115.15 120.76 1fgr h HIS 515 Ca 0.14 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.20 1fgr h HIS 515 Cb -0.06 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1fgr h HIS 515 CO -0.05 0.68 -0.69 0.00 0.86 0.00 0.00 177.93 178.72 1fgr h ARG 516 N 0.00 0.00 0.00 2.45 3.08 -0.96 -3.40 114.38 115.55 1fgr h ARG 516 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1fgr h ARG 516 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1fgr h ARG 516 CO 0.09 0.69 -0.33 0.72 -1.07 0.00 0.00 179.97 180.07 1fgr n HIS 517 N -3.58 0.00 -3.89 3.04 8.25 -0.25 -4.78 115.22 114.02 1fgr n HIS 517 Ca -0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1fgr n HIS 517 Cb 0.71 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.69 1fgr n HIS 517 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1fgr s LEU 518 N -1.80 3.17 0.68 2.41 1.43 -0.36 -4.66 118.68 119.55 1fgr s LEU 518 Ca 0.00 -0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 1fgr s LEU 518 Cb 0.00 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1fgr s LEU 518 CO 0.00 -0.01 1.17 -0.55 0.23 0.00 0.00 176.35 177.19 1fgr s SER 519 N 1.43 4.70 0.55 2.29 0.15 -1.26 -4.63 113.70 116.92 1fgr s SER 519 Ca 0.05 2.22 0.31 0.00 0.70 0.00 0.00 55.95 59.23 1fgr s SER 519 Cb -0.15 -2.58 1.68 0.00 -1.71 0.00 0.00 66.02 63.27 1fgr s SER 519 CO 0.00 -1.92 1.93 -0.37 1.20 0.00 0.00 173.24 174.09 1fgr h VAL 520 N 0.02 0.00 0.00 4.45 -1.51 -1.95 0.15 116.25 117.41 1fgr h VAL 520 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1fgr h VAL 520 Cb 1.28 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1fgr h VAL 520 CO 0.52 0.00 -0.06 -0.07 -1.23 0.00 0.00 177.57 176.73 1fgr h LEU 521 N 0.00 0.00 -9.66 4.19 3.38 -1.89 -3.43 115.31 107.90 1fgr h LEU 521 Ca 0.00 -0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1fgr h LEU 521 Cb 0.31 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.09 1fgr h LEU 521 CO 0.00 0.00 0.71 -2.28 0.09 0.00 0.00 178.44 176.96 1fgr s HIS 522 N -3.21 3.18 0.41 1.13 2.46 0.51 -0.91 115.29 118.87 1fgr s HIS 522 Ca 0.07 1.06 0.08 0.00 0.47 0.00 0.00 55.06 56.74 1fgr s HIS 522 Cb 0.06 -3.70 0.89 0.00 -0.13 0.00 0.00 32.58 29.70 1fgr s HIS 522 CO 0.67 -2.32 2.04 -1.00 -2.47 0.00 0.00 174.74 171.67 1fgr h PRO 523 N 5.75 0.51 -0.00 2.88 0.13 -1.88 -1.63 132.00 137.77 1fgr h PRO 523 Ca -0.44 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 1fgr h PRO 523 Cb 1.21 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1fgr h PRO 523 CO 0.81 0.34 -0.79 0.82 -0.23 0.00 0.00 178.00 178.95 1fgr h ILE 524 N 0.53 1.55 -0.21 -3.56 1.08 -1.94 -0.89 117.51 114.08 1fgr h ILE 524 Ca 0.18 -2.65 -0.00 0.00 -0.39 0.00 0.00 64.86 61.99 1fgr h ILE 524 Cb 0.06 2.44 -0.01 0.00 -3.07 0.00 0.00 36.82 36.24 1fgr h ILE 524 CO -0.04 0.76 0.11 0.22 -0.69 0.00 0.00 178.15 178.51 1fgr h TYR 525 N 0.02 0.28 -0.15 1.37 5.03 -1.60 -0.55 116.97 121.37 1fgr h TYR 525 Ca -0.01 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.23 1fgr h TYR 525 Cb 1.39 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.57 1fgr h TYR 525 CO 0.00 0.26 -0.17 0.87 -1.32 0.00 0.00 178.16 177.80 1fgr h LYS 526 N 0.23 0.24 -0.19 1.82 1.57 -1.13 -0.17 116.57 118.94 1fgr h LYS 526 Ca 0.07 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1fgr h LYS 526 Cb 0.06 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1fgr h LYS 526 CO -0.01 0.42 -0.26 1.25 -0.57 0.00 0.00 179.45 180.28 1fgr h LEU 527 N 0.23 0.55 0.06 2.94 5.85 -0.76 -3.38 115.31 120.79 1fgr h LEU 527 Ca 0.04 -0.51 -0.33 0.00 0.84 0.00 0.00 57.88 57.92 1fgr h LEU 527 Cb 0.44 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1fgr h LEU 527 CO 0.03 0.96 -1.84 0.18 -0.34 0.00 0.00 178.44 177.42 1fgr n LEU 528 N -4.39 1.75 0.07 2.25 4.77 -0.25 -4.50 117.00 116.69 1fgr n LEU 528 Ca -0.06 0.32 0.18 0.00 -0.03 0.00 0.00 56.01 56.42 1fgr n LEU 528 Cb 0.45 -0.47 0.70 0.00 -2.33 0.00 0.00 43.42 41.76 1fgr n LEU 528 CO 0.42 0.62 1.16 0.71 -1.33 0.00 0.00 177.39 178.97 1fgr h THR 529 N 0.04 0.74 0.00 -5.08 1.35 -1.21 -0.39 112.91 108.35 1fgr h THR 529 Ca -0.35 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.48 1fgr h THR 529 Cb 2.03 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1fgr h THR 529 CO 0.09 0.00 -0.14 -0.65 -0.25 0.00 0.00 175.52 174.57 1fgr h PRO 530 N 0.00 0.00 -0.01 4.72 0.11 -1.79 -1.46 132.00 133.57 1fgr h PRO 530 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1fgr h PRO 530 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1fgr h PRO 530 CO -0.00 0.14 0.00 0.72 -0.21 0.00 0.00 178.00 178.64 1fgr n HIS 531 N -3.90 0.01 0.41 0.65 8.25 -0.16 -3.22 115.22 117.27 1fgr n HIS 531 Ca -0.02 -0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.48 1fgr n HIS 531 Cb 0.23 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.36 1fgr n HIS 531 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1fgr n TYR 532 N -0.72 0.00 -1.70 4.41 4.01 -0.55 -4.26 117.16 118.35 1fgr n TYR 532 Ca 0.13 0.00 -0.59 0.00 -0.16 0.00 0.00 57.90 57.28 1fgr n TYR 532 Cb 0.07 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.02 1fgr n TYR 532 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1fgr n ARG 533 N 0.21 0.94 -0.65 -0.72 0.63 -1.20 -1.63 116.66 114.25 1fgr n ARG 533 Ca 0.05 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 1fgr n ARG 533 Cb 0.22 -1.99 0.00 0.00 0.45 0.00 0.00 32.46 31.15 1fgr n ARG 533 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1fgr n ASN 534 N 4.75 0.00 0.06 6.15 5.15 -1.26 -4.07 115.26 126.04 1fgr n ASN 534 Ca 0.26 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 54.11 1fgr n ASN 534 Cb 0.10 -1.43 -0.08 0.00 -0.53 0.00 0.00 39.78 37.85 1fgr n ASN 534 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 1fgr h ASN 535 N 0.00 -0.10 -0.26 1.20 -0.00 -1.20 -0.13 115.58 115.09 1fgr h ASN 535 Ca 0.00 -0.16 -0.05 0.00 -0.00 0.00 0.00 56.30 56.09 1fgr h ASN 535 Cb 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 38.33 1fgr h ASN 535 CO 0.00 0.10 0.01 0.24 -0.00 0.00 0.00 177.43 177.78 1fgr h MET 536 N -0.30 0.57 0.44 6.67 2.86 -1.88 -1.13 114.93 122.15 1fgr h MET 536 Ca -0.01 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1fgr h MET 536 Cb 0.25 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1fgr h MET 536 CO 0.02 0.59 -0.21 -0.97 1.06 0.00 0.00 176.91 177.40 1fgr h ASN 537 N 0.55 -0.50 -0.29 1.22 -1.24 -1.71 -0.84 115.58 112.77 1fgr h ASN 537 Ca 0.12 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 1fgr h ASN 537 Cb 0.34 0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 1fgr h ASN 537 CO 0.01 -0.22 0.09 0.16 -1.29 0.00 0.00 177.43 176.18 1fgr h ILE 538 N -0.77 1.17 -0.64 2.57 -0.00 -0.93 -1.67 117.51 117.24 1fgr h ILE 538 Ca -0.06 -0.61 -0.07 0.00 -0.00 0.00 0.00 64.86 64.12 1fgr h ILE 538 Cb 0.54 0.80 -0.03 0.00 -0.00 0.00 0.00 36.82 38.13 1fgr h ILE 538 CO 0.10 0.22 0.12 0.78 -0.00 0.00 0.00 178.15 179.37 1fgr h ASN 539 N 0.53 1.01 -0.51 2.16 4.21 -1.06 -0.09 115.58 121.83 1fgr h ASN 539 Ca 0.12 -0.25 -0.08 0.00 1.21 0.00 0.00 56.30 57.31 1fgr h ASN 539 Cb 0.21 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.12 1fgr h ASN 539 CO -0.00 1.00 0.02 0.00 -1.29 0.00 0.00 177.43 177.16 1fgr h ALA 540 N 1.04 0.68 0.00 -0.83 0.00 -0.70 -0.31 119.26 119.15 1fgr h ALA 540 Ca 0.20 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1fgr h ALA 540 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1fgr h ALA 540 CO 0.01 0.48 -0.22 -0.07 0.00 0.00 0.00 179.25 179.45 1fgr h LEU 541 N 0.76 0.00 -0.14 0.00 3.38 -1.12 -2.39 115.31 115.80 1fgr h LEU 541 Ca 0.15 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 1fgr h LEU 541 Cb 0.49 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.25 1fgr h LEU 541 CO 0.02 0.22 -0.58 0.00 0.09 0.00 0.00 178.44 178.19 1fgr h ALA 542 N 1.78 0.26 0.00 1.53 0.00 -0.33 -1.53 119.26 120.97 1fgr h ALA 542 Ca -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1fgr h ALA 542 Cb 0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1fgr h ALA 542 CO 0.03 0.50 -0.11 0.00 0.00 0.00 0.00 179.25 179.67 1fgr h ARG 543 N 0.31 0.00 0.16 0.00 3.08 -0.74 0.15 114.38 117.33 1fgr h ARG 543 Ca -0.03 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.70 1fgr h ARG 543 Cb 1.21 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.27 1fgr h ARG 543 CO 0.12 0.11 -1.54 0.37 -1.07 0.00 0.00 179.97 177.96 1fgr h GLN 544 N 0.00 0.34 0.00 0.04 4.15 -1.25 -3.34 115.11 115.05 1fgr h GLN 544 Ca -0.00 -0.58 0.00 0.00 0.77 0.00 0.00 58.65 58.84 1fgr h GLN 544 Cb 0.23 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1fgr h GLN 544 CO 0.01 1.23 -0.25 0.43 -1.93 0.00 0.00 178.83 178.33 1fgr n SER 545 N -3.54 1.23 -0.13 -0.69 7.64 -0.59 -4.72 113.62 112.81 1fgr n SER 545 Ca -0.17 -0.12 -0.29 0.00 1.01 0.00 0.00 58.87 59.30 1fgr n SER 545 Cb 1.06 0.48 -0.10 0.00 -1.01 0.00 0.00 64.21 64.64 1fgr n SER 545 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1fgr n LEU 546 N -0.60 1.95 -0.88 -3.43 7.94 0.32 -2.14 117.00 120.15 1fgr n LEU 546 Ca 0.00 0.35 0.08 0.00 -1.11 0.00 0.00 56.01 55.33 1fgr n LEU 546 Cb 0.00 -0.84 0.23 0.00 0.53 0.00 0.00 43.42 43.34 1fgr n LEU 546 CO 0.00 0.54 0.69 2.30 -1.11 0.00 0.00 177.39 179.81 1fgr n ILE 547 N -4.27 1.83 -1.93 1.96 -5.35 -0.04 -1.53 119.36 110.03 1fgr n ILE 547 Ca -0.52 -1.52 -0.30 0.00 -0.27 0.00 0.00 62.75 60.15 1fgr n ILE 547 Cb 0.86 0.03 0.06 0.00 -1.74 0.00 0.00 39.64 38.84 1fgr n ILE 547 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1fgr s ASN 548 N -1.51 5.24 0.09 7.28 4.22 -1.25 -4.92 114.94 124.09 1fgr s ASN 548 Ca 0.37 1.01 -0.31 0.00 -2.14 0.00 0.00 52.86 51.79 1fgr s ASN 548 Cb 0.27 -1.75 -0.10 0.00 1.28 0.00 0.00 41.25 40.95 1fgr s ASN 548 CO 0.12 -1.45 1.85 0.00 -2.04 0.00 0.00 177.10 175.58 1fgr s ALA 549 N -3.38 3.71 -1.23 3.54 0.00 -0.25 -0.61 121.76 123.54 1fgr s ALA 549 Ca 0.59 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1fgr s ALA 549 Cb -0.11 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1fgr s ALA 549 CO 0.51 -1.31 0.00 -1.71 0.00 0.00 0.00 175.76 173.25 1fgr n ASN 550 N 6.16 -4.39 -2.41 0.00 5.15 -1.26 -4.93 115.26 113.57 1fgr n ASN 550 Ca 0.18 0.28 -0.05 0.00 -0.60 0.00 0.00 54.58 54.39 1fgr n ASN 550 Cb 0.39 -2.93 0.04 0.00 -0.53 0.00 0.00 39.78 36.75 1fgr n ASN 550 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1fgr n GLY 551 N -1.55 -1.45 0.08 8.20 0.00 0.22 -4.75 105.19 105.94 1fgr n GLY 551 Ca -0.12 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 1fgr n GLY 551 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1fgr h ILE 552 N -1.25 0.95 -0.40 -0.61 2.04 -1.43 -2.06 117.51 114.74 1fgr h ILE 552 Ca -0.08 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1fgr h ILE 552 Cb 0.21 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1fgr h ILE 552 CO 0.05 0.01 0.14 0.40 0.00 0.00 0.00 178.15 178.76 1fgr h ILE 553 N 0.08 1.21 0.00 -0.67 1.08 -1.56 -1.85 117.51 115.79 1fgr h ILE 553 Ca 0.06 -0.66 -0.05 0.00 -0.39 0.00 0.00 64.86 63.81 1fgr h ILE 553 Cb 0.05 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 1fgr h ILE 553 CO -0.07 0.24 -0.23 -0.33 -0.69 0.00 0.00 178.15 177.06 1fgr h GLU 554 N 0.50 0.00 -0.01 2.37 5.08 -1.74 -0.55 114.58 120.24 1fgr h GLU 554 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1fgr h GLU 554 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1fgr h GLU 554 CO -0.01 0.23 -0.27 0.25 -1.00 0.00 0.00 179.01 178.21 1fgr n THR 555 N -4.27 0.00 0.00 1.13 -2.24 -0.78 -4.15 114.28 103.97 1fgr n THR 555 Ca -0.02 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1fgr n THR 555 Cb 0.28 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1fgr n THR 555 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1fgr n THR 556 N -0.49 0.00 -4.10 4.28 -2.24 -0.72 -4.86 114.28 106.15 1fgr n THR 556 Ca 0.12 -0.05 -0.29 0.00 -2.27 0.00 0.00 64.05 61.56 1fgr n THR 556 Cb 0.37 0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 69.07 1fgr n THR 556 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1fgr s PHE 557 N -1.86 3.07 0.17 4.78 0.40 -0.26 -4.49 117.98 119.80 1fgr s PHE 557 Ca 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 56.93 56.15 1fgr s PHE 557 Cb 0.00 -1.55 0.12 0.00 0.51 0.00 0.00 43.02 42.10 1fgr s PHE 557 CO 0.00 0.50 1.29 -0.11 0.70 0.00 0.00 175.22 177.61 1fgr n LEU 558 N 0.35 -0.65 0.03 -0.37 7.94 -0.58 -2.15 117.00 121.57 1fgr n LEU 558 Ca -0.10 1.47 0.05 0.00 -1.11 0.00 0.00 56.01 56.32 1fgr n LEU 558 Cb 0.52 -0.29 0.24 0.00 0.53 0.00 0.00 43.42 44.42 1fgr n LEU 558 CO 0.41 -1.28 0.66 -2.65 -1.11 0.00 0.00 177.39 173.43 1fgr n PRO 559 N -5.17 0.04 0.00 1.96 -0.02 -1.26 -4.93 135.00 125.62 1fgr n PRO 559 Ca 0.06 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1fgr n PRO 559 Cb 0.30 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1fgr n PRO 559 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1fgr n SER 560 N -1.67 0.00 0.00 2.55 2.88 -0.92 -1.12 113.62 115.34 1fgr n SER 560 Ca 0.01 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.58 1fgr n SER 560 Cb 0.09 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.66 1fgr n SER 560 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1fgr n LYS 561 N 14.00 0.03 0.00 -1.46 2.85 -1.26 -1.60 118.16 130.72 1fgr n LYS 561 Ca 0.00 0.33 0.12 0.00 -1.05 0.00 0.00 58.31 57.71 1fgr n LYS 561 Cb 0.00 -1.50 0.12 0.00 -0.65 0.00 0.00 35.03 33.00 1fgr n LYS 561 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1fgr n TYR 562 N -1.39 0.00 0.19 5.58 4.01 -0.28 -4.65 117.16 120.62 1fgr n TYR 562 Ca 0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.59 1fgr n TYR 562 Cb 0.04 -0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 38.97 1fgr n TYR 562 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1fgr h SER 563 N 3.04 -1.30 -0.52 7.72 0.02 -1.38 -1.79 113.55 119.35 1fgr h SER 563 Ca 0.00 0.13 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 1fgr h SER 563 Cb 0.79 0.46 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 1fgr h SER 563 CO 0.00 -0.56 -0.11 0.58 -1.14 0.00 0.00 176.83 175.60 1fgr h VAL 564 N -0.80 1.27 0.00 2.27 2.07 -1.83 -2.69 116.25 116.55 1fgr h VAL 564 Ca -0.02 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 1fgr h VAL 564 Cb 0.75 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1fgr h VAL 564 CO -0.17 0.45 -0.17 1.05 0.02 0.00 0.00 177.57 178.75 1fgr h GLU 565 N 0.89 0.00 -0.85 1.57 4.11 -1.83 -0.80 114.58 117.68 1fgr h GLU 565 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1fgr h GLU 565 Cb 0.67 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1fgr h GLU 565 CO 0.05 0.17 0.54 0.52 0.07 0.00 0.00 179.01 180.36 1fgr h MET 566 N 0.00 1.14 0.00 1.06 2.86 -0.98 -0.98 114.93 118.03 1fgr h MET 566 Ca -0.00 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1fgr h MET 566 Cb 0.32 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1fgr h MET 566 CO 0.02 0.77 -0.14 0.66 1.06 0.00 0.00 176.91 179.29 1fgr h SER 567 N 1.16 0.00 -0.24 1.22 4.64 -1.06 -1.75 113.55 117.53 1fgr h SER 567 Ca 0.31 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.45 1fgr h SER 567 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1fgr h SER 567 CO -0.06 0.14 -0.55 -1.28 -0.87 0.00 0.00 176.83 174.21 1fgr h SER 568 N 0.00 0.90 -0.72 4.97 0.87 -1.03 -1.39 113.55 117.16 1fgr h SER 568 Ca -0.00 -0.56 -0.03 0.00 -1.23 0.00 0.00 61.79 59.98 1fgr h SER 568 Cb 0.35 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 1fgr h SER 568 CO 0.02 1.29 0.35 0.00 -0.53 0.00 0.00 176.83 177.96 1fgr h ALA 569 N 0.63 1.24 -0.17 6.23 0.00 -0.70 -1.99 119.26 124.50 1fgr h ALA 569 Ca -0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1fgr h ALA 569 Cb 1.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1fgr h ALA 569 CO 0.12 0.59 -0.45 0.28 0.00 0.00 0.00 179.25 179.78 1fgr h VAL 570 N 1.04 1.32 0.00 0.00 2.07 -1.22 -2.87 116.25 116.58 1fgr h VAL 570 Ca 0.25 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1fgr h VAL 570 Cb 0.11 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1fgr h VAL 570 CO -0.03 0.51 -0.03 0.22 0.02 0.00 0.00 177.57 178.25 1fgr h TYR 571 N 0.35 0.00 -0.67 1.57 3.20 -0.49 -1.42 116.97 119.51 1fgr h TYR 571 Ca 0.02 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.09 1fgr h TYR 571 Cb 0.93 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 1fgr h TYR 571 CO 0.03 0.03 0.49 0.87 -1.64 0.00 0.00 178.16 177.93 1fgr h LYS 572 N 0.00 0.00 -0.32 1.82 1.57 -1.26 -0.19 116.57 118.19 1fgr h LYS 572 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1fgr h LYS 572 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1fgr h LYS 572 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 1fgr n ASN 573 N -4.32 3.70 -4.72 0.86 5.03 -0.54 -4.98 115.26 110.29 1fgr n ASN 573 Ca 0.13 -2.65 -0.42 0.00 0.87 0.00 0.00 54.58 52.52 1fgr n ASN 573 Cb 0.75 -0.45 -0.03 0.00 -1.02 0.00 0.00 39.78 39.03 1fgr n ASN 573 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 1fgr s TRP 574 N -2.17 3.49 -0.16 3.10 -0.00 -0.08 -5.02 118.94 118.09 1fgr s TRP 574 Ca 0.37 1.40 -0.00 0.00 -0.00 0.00 0.00 56.10 57.87 1fgr s TRP 574 Cb 0.27 -3.36 0.04 0.00 -0.00 0.00 0.00 33.47 30.41 1fgr s TRP 574 CO 0.12 -1.02 -0.08 0.08 -0.00 0.00 0.00 176.95 176.05 1fgr s VAL 575 N 0.76 1.29 0.19 5.86 1.01 -1.26 -5.04 120.40 123.21 1fgr s VAL 575 Ca 0.56 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 1fgr s VAL 575 Cb -0.29 -1.37 0.14 0.00 0.00 0.00 0.00 36.38 34.86 1fgr s VAL 575 CO 0.30 0.24 1.68 0.15 0.00 0.00 0.00 175.10 177.47 1fgr h PHE 576 N 8.09 -0.06 0.00 5.22 3.57 -1.95 -0.96 116.94 130.85 1fgr h PHE 576 Ca -0.29 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1fgr h PHE 576 Cb 1.12 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1fgr h PHE 576 CO 0.47 -0.13 0.00 1.79 -2.23 0.00 0.00 178.31 178.21 1fgr h THR 577 N 0.10 0.00 -0.01 4.41 1.35 -1.96 -1.97 112.91 114.83 1fgr h THR 577 Ca 0.25 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1fgr h THR 577 Cb 0.39 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1fgr h THR 577 CO -0.43 0.00 -0.03 0.47 -0.25 0.00 0.00 175.52 175.28 1fgr n ASP 578 N -2.33 0.72 0.06 5.36 8.00 -0.37 -3.21 116.55 124.79 1fgr n ASP 578 Ca 0.02 -1.12 0.13 0.00 0.71 0.00 0.00 54.79 54.53 1fgr n ASP 578 Cb 0.26 -0.01 0.34 0.00 -0.02 0.00 0.00 41.12 41.69 1fgr n ASP 578 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fgr n GLN 579 N -0.50 0.21 -2.01 -1.24 1.13 -0.74 -3.64 117.38 110.59 1fgr n GLN 579 Ca 0.20 0.12 -0.41 0.00 -1.94 0.00 0.00 57.00 54.97 1fgr n GLN 579 Cb 0.25 -1.69 -0.02 0.00 0.11 0.00 0.00 30.24 28.88 1fgr n GLN 579 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fgr s ALA 580 N -3.10 3.60 0.17 -1.58 0.00 -1.20 -4.88 121.76 114.78 1fgr s ALA 580 Ca 0.10 1.34 -0.14 0.00 0.00 0.00 0.00 51.96 53.25 1fgr s ALA 580 Cb 0.14 -3.55 0.12 0.00 0.00 0.00 0.00 23.12 19.83 1fgr s ALA 580 CO 0.64 -0.75 1.77 1.25 0.00 0.00 0.00 175.76 178.66 1fgr h LEU 581 N 4.52 0.25 -0.57 0.00 5.85 -1.92 -0.91 115.31 122.53 1fgr h LEU 581 Ca -0.47 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1fgr h LEU 581 Cb 1.22 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 1fgr h LEU 581 CO 0.74 0.18 0.34 -0.65 -0.34 0.00 0.00 178.44 178.71 1fgr h PRO 582 N 0.39 0.78 -0.87 5.25 0.11 -1.95 -1.46 132.00 134.25 1fgr h PRO 582 Ca 0.20 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.25 1fgr h PRO 582 Cb 0.16 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 1fgr h PRO 582 CO -0.18 0.57 0.57 0.00 -0.21 0.00 0.00 178.00 178.75 1fgr h ALA 583 N 1.17 1.11 -0.36 -0.75 0.00 -1.78 -1.56 119.26 117.08 1fgr h ALA 583 Ca 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1fgr h ALA 583 Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1fgr h ALA 583 CO -0.04 0.49 0.15 0.22 0.00 0.00 0.00 179.25 180.07 1fgr h ASP 584 N 1.16 0.49 -0.50 0.00 3.58 -0.74 0.16 116.42 120.58 1fgr h ASP 584 Ca 0.32 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 1fgr h ASP 584 Cb -0.11 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 1fgr h ASP 584 CO -0.08 0.52 0.21 -0.07 -2.88 0.00 0.00 179.24 176.95 1fgr h LEU 585 N 0.43 0.68 -0.38 2.28 3.38 -0.99 -1.32 115.31 119.40 1fgr h LEU 585 Ca 0.12 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1fgr h LEU 585 Cb 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1fgr h LEU 585 CO -0.01 0.65 -0.02 0.40 0.09 0.00 0.00 178.44 179.54 1fgr h ILE 586 N 0.67 1.27 -0.95 1.22 2.04 -1.17 -2.04 117.51 118.54 1fgr h ILE 586 Ca 0.17 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1fgr h ILE 586 Cb 0.17 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1fgr h ILE 586 CO -0.02 0.35 0.60 0.50 0.00 0.00 0.00 178.15 179.58 1fgr h LYS 587 N 0.50 1.28 -0.00 2.37 3.64 -0.75 -1.50 116.57 122.11 1fgr h LYS 587 Ca 0.10 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1fgr h LYS 587 Cb 0.51 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1fgr h LYS 587 CO 0.02 0.87 0.00 0.54 -2.27 0.00 0.00 179.45 178.62 1fgr n ARG 588 N -4.37 1.00 -1.97 1.90 1.74 -0.52 -4.91 116.66 109.55 1fgr n ARG 588 Ca 0.11 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 57.06 1fgr n ARG 588 Cb 0.04 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 1fgr n ARG 588 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fgr n GLY 589 N 0.98 0.30 0.65 -0.13 0.00 -0.57 -0.82 105.19 105.60 1fgr n GLY 589 Ca 0.23 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.90 1fgr n GLY 589 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1fgr n VAL 590 N -3.61 0.56 -3.45 1.61 0.24 -0.80 -3.39 118.33 109.49 1fgr n VAL 590 Ca -0.14 -0.78 -0.12 0.00 -2.04 0.00 0.00 64.34 61.27 1fgr n VAL 590 Cb 0.54 0.84 -0.02 0.00 -1.47 0.00 0.00 33.84 33.73 1fgr n VAL 590 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fgr s ALA 591 N -1.04 -1.67 0.10 2.33 0.00 -1.18 -0.73 121.76 119.57 1fgr s ALA 591 Ca 0.22 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.95 1fgr s ALA 591 Cb 0.13 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 1fgr s ALA 591 CO 0.17 -0.71 -0.17 0.96 0.00 0.00 0.00 175.76 176.02 1fgr s ILE 592 N -3.33 1.41 0.23 0.00 -5.25 -0.08 -4.19 121.20 109.99 1fgr s ILE 592 Ca 0.01 -1.50 -0.30 0.00 -0.99 0.00 0.00 60.65 57.87 1fgr s ILE 592 Cb -0.01 -1.37 -0.10 0.00 2.95 0.00 0.00 42.46 43.93 1fgr s ILE 592 CO -0.10 -0.20 1.41 -0.75 -1.79 0.00 0.00 174.94 173.51 1fgr s LYS 593 N -2.02 4.30 -0.36 0.37 2.20 -1.26 -0.31 119.74 122.67 1fgr s LYS 593 Ca 0.04 2.23 0.03 0.00 -0.36 0.00 0.00 55.97 57.91 1fgr s LYS 593 Cb -0.09 -3.14 0.16 0.00 -1.51 0.00 0.00 37.83 33.25 1fgr s LYS 593 CO 0.03 -0.38 0.42 0.34 -0.36 0.00 0.00 175.35 175.40 1fgr s ASP 594 N 0.40 0.63 0.63 1.43 -1.08 -0.24 -4.79 116.67 113.65 1fgr s ASP 594 Ca 0.59 -1.18 0.28 0.00 -0.52 0.00 0.00 52.55 51.72 1fgr s ASP 594 Cb -0.40 0.88 1.49 0.00 -1.46 0.00 0.00 42.92 43.43 1fgr s ASP 594 CO 0.41 -0.27 1.87 -0.65 0.52 0.00 0.00 175.17 177.05 1fgr h PRO 595 N 7.33 0.00 -0.00 4.34 0.11 -1.94 -1.23 132.00 140.61 1fgr h PRO 595 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1fgr h PRO 595 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1fgr h PRO 595 CO 0.21 0.00 -0.01 -1.13 -0.21 0.00 0.00 178.00 176.86 1fgr n SER 596 N -3.25 0.27 -4.87 -2.05 3.41 -1.26 -4.81 113.62 101.05 1fgr n SER 596 Ca 0.03 -0.98 -0.26 0.00 -0.26 0.00 0.00 58.87 57.40 1fgr n SER 596 Cb 0.54 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1fgr n SER 596 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1fgr s THR 597 N -2.08 4.91 0.22 6.66 -4.23 -0.46 -5.02 115.64 115.63 1fgr s THR 597 Ca 0.44 -0.91 -0.08 0.00 -1.18 0.00 0.00 61.69 59.95 1fgr s THR 597 Cb 0.22 -3.53 0.17 0.00 1.34 0.00 0.00 72.50 70.70 1fgr s THR 597 CO 0.38 -0.12 1.72 -0.65 -0.54 0.00 0.00 174.62 175.40 1fgr h PRO 598 N 2.18 0.32 -0.09 3.99 0.11 -1.88 -2.15 132.00 134.48 1fgr h PRO 598 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1fgr h PRO 598 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1fgr h PRO 598 CO 0.65 0.21 0.00 0.72 -0.21 0.00 0.00 178.00 179.37 1fgr n HIS 599 N -5.08 0.10 -0.99 0.65 8.25 -1.26 -4.93 115.22 111.96 1fgr n HIS 599 Ca 0.10 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1fgr n HIS 599 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1fgr n HIS 599 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fgr n GLY 600 N 1.22 0.87 3.02 -1.41 0.00 -0.81 -5.00 105.19 103.09 1fgr n GLY 600 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1fgr n GLY 600 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fgr s VAL 601 N -3.50 0.07 -0.21 1.61 -7.23 -1.25 -1.08 120.40 108.82 1fgr s VAL 601 Ca 0.00 -0.62 -0.03 0.00 -1.81 0.00 0.00 61.98 59.52 1fgr s VAL 601 Cb 0.00 -0.30 -0.01 0.00 0.56 0.00 0.00 36.38 36.64 1fgr s VAL 601 CO 0.00 -0.34 -0.06 -0.60 -0.31 0.00 0.00 175.10 173.79 1fgr s ARG 602 N -1.09 3.37 0.22 4.82 3.52 0.58 -4.81 118.95 125.57 1fgr s ARG 602 Ca -0.12 -0.63 -0.30 0.00 -0.13 0.00 0.00 55.73 54.55 1fgr s ARG 602 Cb -0.07 -2.96 -0.08 0.00 -1.56 0.00 0.00 34.95 30.28 1fgr s ARG 602 CO 0.00 -0.15 1.11 -0.51 -0.81 0.00 0.00 175.30 174.94 1fgr s LEU 603 N 1.34 4.51 0.15 -0.88 1.43 -1.26 -0.90 118.68 123.07 1fgr s LEU 603 Ca 0.04 2.18 0.26 0.00 -1.03 0.00 0.00 54.13 55.58 1fgr s LEU 603 Cb -0.14 -3.61 0.69 0.00 0.03 0.00 0.00 46.19 43.16 1fgr s LEU 603 CO -0.03 -0.20 1.63 0.18 0.23 0.00 0.00 176.35 178.16 1fgr n LEU 604 N 1.88 0.68 -4.01 1.79 4.77 0.10 -4.16 117.00 118.04 1fgr n LEU 604 Ca 0.01 0.43 -0.31 0.00 -0.03 0.00 0.00 56.01 56.11 1fgr n LEU 604 Cb 0.45 -0.29 -0.15 0.00 -2.33 0.00 0.00 43.42 41.10 1fgr n LEU 604 CO 0.54 -0.11 -0.31 -0.63 -1.33 0.00 0.00 177.39 175.55 1fgr s ILE 605 N -3.10 2.31 0.21 -0.08 1.01 -1.26 -4.99 121.20 115.31 1fgr s ILE 605 Ca 0.10 -2.47 -0.09 0.00 0.00 0.00 0.00 60.65 58.19 1fgr s ILE 605 Cb 0.14 -2.70 0.16 0.00 0.01 0.00 0.00 42.46 40.06 1fgr s ILE 605 CO 0.63 -0.62 1.74 -0.08 0.00 0.00 0.00 174.94 176.61 1fgr h GLU 606 N 7.47 0.40 -2.67 2.79 4.81 -1.92 -3.08 114.58 122.39 1fgr h GLU 606 Ca -0.05 -0.02 -0.80 0.00 -0.13 0.00 0.00 59.36 58.36 1fgr h GLU 606 Cb 1.00 -0.09 -0.29 0.00 0.63 0.00 0.00 28.75 30.01 1fgr h GLU 606 CO 0.54 0.27 0.78 -3.47 -0.73 0.00 0.00 179.01 176.39 1fgr n ASP 607 N -5.00 6.57 -4.24 1.04 2.03 -1.26 -4.90 116.55 110.79 1fgr n ASP 607 Ca 0.10 -3.51 -0.43 0.00 0.52 0.00 0.00 54.79 51.47 1fgr n ASP 607 Cb 0.30 -1.20 -0.07 0.00 -0.72 0.00 0.00 41.12 39.43 1fgr n ASP 607 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1fgr s TYR 608 N -3.27 3.46 0.18 -0.67 6.14 -1.17 -4.82 117.35 117.20 1fgr s TYR 608 Ca 0.34 -1.91 -0.17 0.00 0.64 0.00 0.00 57.07 55.98 1fgr s TYR 608 Cb 0.10 -3.59 0.13 0.00 0.42 0.00 0.00 41.96 39.03 1fgr s TYR 608 CO 0.03 -0.98 1.65 -1.35 0.64 0.00 0.00 175.55 175.54 1fgr h PRO 609 N 8.19 -0.04 -0.38 4.97 0.11 -1.88 0.12 132.00 143.10 1fgr h PRO 609 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1fgr h PRO 609 Cb 1.05 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1fgr h PRO 609 CO 0.85 -0.02 0.24 -0.92 -0.21 0.00 0.00 178.00 177.94 1fgr h TYR 610 N -0.04 0.48 -0.30 0.65 3.20 -1.86 -1.30 116.97 117.80 1fgr h TYR 610 Ca 0.22 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.99 1fgr h TYR 610 Cb 0.38 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1fgr h TYR 610 CO -0.42 0.32 -0.24 0.00 -1.64 0.00 0.00 178.16 176.18 1fgr h ALA 611 N 1.12 0.44 -0.34 1.82 0.00 -1.69 0.13 119.26 120.75 1fgr h ALA 611 Ca 0.14 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1fgr h ALA 611 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1fgr h ALA 611 CO -0.03 0.41 0.01 0.00 0.00 0.00 0.00 179.25 179.64 1fgr h ALA 612 N 0.73 0.45 -0.21 0.00 0.00 -0.71 -0.60 119.26 118.93 1fgr h ALA 612 Ca 0.06 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 1fgr h ALA 612 Cb 0.79 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1fgr h ALA 612 CO 0.06 0.21 -0.54 -0.44 0.00 0.00 0.00 179.25 178.54 1fgr h ASP 613 N 0.40 0.69 -0.75 0.00 5.19 -1.27 -3.19 116.42 117.49 1fgr h ASP 613 Ca 0.10 -0.37 -0.02 0.00 -0.62 0.00 0.00 57.03 56.12 1fgr h ASP 613 Cb 0.44 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.71 1fgr h ASP 613 CO 0.02 1.10 0.41 1.23 -3.12 0.00 0.00 179.24 178.87 1fgr h GLY 614 N 0.99 1.13 1.72 2.75 0.00 -0.51 -2.03 103.07 107.12 1fgr h GLY 614 Ca 0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1fgr h GLY 614 CO 0.11 0.49 -0.10 1.41 0.00 0.00 0.00 176.54 178.44 1fgr h LEU 615 N 1.07 0.33 -0.28 3.11 3.38 -1.10 0.14 115.31 121.96 1fgr h LEU 615 Ca 0.27 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1fgr h LEU 615 Cb 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1fgr h LEU 615 CO -0.04 0.47 0.02 -0.33 0.09 0.00 0.00 178.44 178.65 1fgr h GLU 616 N 0.33 0.47 -0.41 1.13 4.39 -1.38 -1.18 114.58 117.93 1fgr h GLU 616 Ca 0.07 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 1fgr h GLU 616 Cb 0.39 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1fgr h GLU 616 CO 0.02 0.61 -0.05 0.82 -1.16 0.00 0.00 179.01 179.25 1fgr h ILE 617 N 0.27 1.27 -0.68 3.13 1.08 -1.12 -2.24 117.51 119.22 1fgr h ILE 617 Ca 0.08 -1.11 0.06 0.00 -0.39 0.00 0.00 64.86 63.51 1fgr h ILE 617 Cb 0.38 1.16 -0.06 0.00 -3.07 0.00 0.00 36.82 35.23 1fgr h ILE 617 CO 0.01 0.37 0.38 -0.25 -0.69 0.00 0.00 178.15 177.97 1fgr h TRP 618 N 0.58 0.69 -0.56 1.37 2.91 -0.68 -1.36 115.95 118.89 1fgr h TRP 618 Ca 0.11 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.14 1fgr h TRP 618 Cb 0.55 -0.21 -0.03 0.00 -0.51 0.00 0.00 29.16 28.97 1fgr h TRP 618 CO 0.04 0.32 0.28 0.00 -1.03 0.00 0.00 178.44 178.06 1fgr h ALA 619 N 1.36 0.72 -0.68 2.65 0.00 -1.04 -1.03 119.26 121.25 1fgr h ALA 619 Ca 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1fgr h ALA 619 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1fgr h ALA 619 CO -0.19 0.27 0.29 0.00 0.00 0.00 0.00 179.25 179.62 1fgr h ALA 620 N 1.12 0.88 -0.43 0.00 0.00 -0.89 -1.45 119.26 118.48 1fgr h ALA 620 Ca 0.19 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1fgr h ALA 620 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1fgr h ALA 620 CO -0.03 0.48 0.01 0.82 0.00 0.00 0.00 179.25 180.53 1fgr h ILE 621 N 0.95 1.26 -0.39 0.00 2.04 -1.03 -2.47 117.51 117.87 1fgr h ILE 621 Ca 0.23 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1fgr h ILE 621 Cb 0.17 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1fgr h ILE 621 CO -0.02 0.35 0.22 0.50 0.00 0.00 0.00 178.15 179.20 1fgr h LYS 622 N 0.60 0.43 -0.67 2.37 3.64 -0.95 -0.49 116.57 121.51 1fgr h LYS 622 Ca 0.12 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1fgr h LYS 622 Cb 0.48 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1fgr h LYS 622 CO 0.02 0.29 0.40 1.15 -2.27 0.00 0.00 179.45 179.04 1fgr h THR 623 N 0.45 1.06 0.14 1.00 2.02 -1.18 0.95 112.91 117.35 1fgr h THR 623 Ca 0.16 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1fgr h THR 623 Cb 0.03 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1fgr h THR 623 CO -0.09 0.14 -0.07 -0.25 0.37 0.00 0.00 175.52 175.63 1fgr h TRP 624 N 0.78 -0.18 -0.67 3.16 -0.00 -0.94 -0.56 115.95 117.54 1fgr h TRP 624 Ca 0.27 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 59.13 1fgr h TRP 624 Cb 0.06 0.06 -0.03 0.00 -0.00 0.00 0.00 29.16 29.24 1fgr h TRP 624 CO -0.05 -0.08 0.29 0.28 -0.00 0.00 0.00 178.44 178.87 1fgr h VAL 625 N -0.22 1.24 0.00 2.65 2.07 -0.79 -0.66 116.25 120.54 1fgr h VAL 625 Ca -0.02 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1fgr h VAL 625 Cb 0.17 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1fgr h VAL 625 CO 0.03 0.29 -0.09 1.56 0.02 0.00 0.00 177.57 179.38 1fgr h GLN 626 N 0.95 0.00 0.00 1.57 4.20 -0.60 -1.63 115.11 119.60 1fgr h GLN 626 Ca 0.23 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.71 1fgr h GLN 626 Cb 0.18 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1fgr h GLN 626 CO -0.02 0.09 -1.62 -1.91 -0.67 0.00 0.00 178.83 174.69 1fgr n GLU 627 N -3.48 0.63 0.00 1.46 2.13 -0.24 -4.30 120.64 116.85 1fgr n GLU 627 Ca -0.02 0.21 -0.10 0.00 0.66 0.00 0.00 57.16 57.92 1fgr n GLU 627 Cb 0.23 -1.77 -0.08 0.00 0.27 0.00 0.00 31.44 30.09 1fgr n GLU 627 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 1fgr h TYR 628 N 0.00 -0.10 -0.65 4.31 3.20 -0.71 -3.37 116.97 119.64 1fgr h TYR 628 Ca -0.24 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 61.77 1fgr h TYR 628 Cb 1.77 0.03 -0.11 0.00 1.54 0.00 0.00 36.73 39.97 1fgr h TYR 628 CO 0.00 0.42 0.02 0.28 -1.64 0.00 0.00 178.16 177.24 1fgr h VAL 629 N -0.90 0.47 -0.18 1.81 2.07 -1.53 -1.17 116.25 116.82 1fgr h VAL 629 Ca -0.01 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1fgr h VAL 629 Cb 0.57 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1fgr h VAL 629 CO 0.02 0.02 0.19 -0.65 0.02 0.00 0.00 177.57 177.18 1fgr h PRO 630 N 0.13 0.00 0.00 1.57 0.11 -1.74 -0.27 132.00 131.79 1fgr h PRO 630 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1fgr h PRO 630 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1fgr h PRO 630 CO -0.55 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.17 1fgr h LEU 631 N 0.00 0.00 0.00 2.35 3.38 -1.36 -3.30 115.31 116.38 1fgr h LEU 631 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1fgr h LEU 631 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1fgr h LEU 631 CO -0.00 0.00 -0.34 -1.22 0.09 0.00 0.00 178.44 176.96 1fgr n TYR 632 N -2.83 0.00 -3.76 1.13 4.01 -0.25 -4.98 117.16 110.49 1fgr n TYR 632 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 1fgr n TYR 632 Cb 0.23 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.10 1fgr n TYR 632 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1fgr s TYR 633 N -1.09 1.05 0.06 -0.72 1.51 -0.43 -4.94 117.35 112.80 1fgr s TYR 633 Ca 0.00 -0.79 -0.03 0.00 -1.01 0.00 0.00 57.07 55.24 1fgr s TYR 633 Cb 0.00 -1.03 -0.28 0.00 -0.11 0.00 0.00 41.96 40.55 1fgr s TYR 633 CO 0.00 -0.57 1.08 0.00 -1.11 0.00 0.00 175.55 174.95 1fgr h ALA 634 N 8.24 0.16 -2.59 3.71 0.00 -1.86 -3.37 119.26 123.55 1fgr h ALA 634 Ca -0.17 -0.94 -0.23 0.00 0.00 0.00 0.00 54.91 53.56 1fgr h ALA 634 Cb 1.12 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 1fgr h ALA 634 CO 0.33 1.04 -0.61 1.03 0.00 0.00 0.00 179.25 181.04 1fgr s ARG 635 N -2.65 1.20 0.45 0.00 0.52 -1.26 -5.05 118.95 112.16 1fgr s ARG 635 Ca -0.05 -1.62 0.10 0.00 -0.52 0.00 0.00 55.73 53.65 1fgr s ARG 635 Cb 0.07 0.27 1.00 0.00 0.52 0.00 0.00 34.95 36.81 1fgr s ARG 635 CO 0.87 -0.39 2.08 -0.44 0.02 0.00 0.00 175.30 177.45 1fgr h ASP 636 N 2.62 0.30 0.12 0.23 3.32 -1.93 -1.90 116.42 119.19 1fgr h ASP 636 Ca -0.36 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.63 1fgr h ASP 636 Cb 1.25 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1fgr h ASP 636 CO 0.53 0.23 -0.17 0.44 -1.72 0.00 0.00 179.24 178.54 1fgr h ASP 637 N 0.35 0.11 0.50 6.45 5.19 -1.97 -1.92 116.42 125.13 1fgr h ASP 637 Ca 0.09 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.45 1fgr h ASP 637 Cb -0.02 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 1fgr h ASP 637 CO -0.02 0.29 -0.18 0.44 -3.12 0.00 0.00 179.24 176.65 1fgr h ASP 638 N 0.11 0.00 0.16 6.45 3.32 -1.73 -0.40 116.42 124.33 1fgr h ASP 638 Ca 0.02 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.79 1fgr h ASP 638 Cb 0.38 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.94 1fgr h ASP 638 CO 0.03 0.18 -1.35 0.58 -1.72 0.00 0.00 179.24 176.95 1fgr h VAL 639 N 0.00 1.17 -0.40 -1.35 2.07 -1.43 -3.23 116.25 113.09 1fgr h VAL 639 Ca -0.00 -2.51 -0.02 0.00 0.82 0.00 0.00 66.70 64.98 1fgr h VAL 639 Cb 0.48 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 1fgr h VAL 639 CO 0.02 0.76 0.15 0.50 0.02 0.00 0.00 177.57 179.02 1fgr h LYS 640 N -0.15 0.56 -0.37 1.57 3.64 -1.07 -2.83 116.57 117.92 1fgr h LYS 640 Ca -0.27 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1fgr h LYS 640 Cb 1.88 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.59 1fgr h LYS 640 CO 0.15 0.48 0.00 0.09 -2.27 0.00 0.00 179.45 177.89 1fgr n ASN 641 N -4.37 2.38 -4.53 4.20 5.03 -0.19 -4.78 115.26 113.00 1fgr n ASN 641 Ca 0.03 -1.91 -0.43 0.00 0.87 0.00 0.00 54.58 53.13 1fgr n ASN 641 Cb 0.15 -0.24 -0.04 0.00 -1.02 0.00 0.00 39.78 38.63 1fgr n ASN 641 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1fgr s ASP 642 N -1.23 6.38 0.23 6.41 -1.08 -1.07 -4.90 116.67 121.41 1fgr s ASP 642 Ca 0.32 -0.22 -0.07 0.00 -0.52 0.00 0.00 52.55 52.07 1fgr s ASP 642 Cb 0.17 -2.44 0.21 0.00 -1.46 0.00 0.00 42.92 39.40 1fgr s ASP 642 CO 0.24 -1.19 1.85 -1.28 0.52 0.00 0.00 175.17 175.31 1fgr h SER 643 N 9.26 1.12 -0.05 -0.34 0.87 -1.89 -1.17 113.55 121.36 1fgr h SER 643 Ca -0.26 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1fgr h SER 643 Cb 1.07 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1fgr h SER 643 CO 1.08 0.90 -0.00 -0.33 -0.53 0.00 0.00 176.83 177.94 1fgr h GLU 644 N 1.26 0.08 -0.77 2.24 5.08 -1.91 -1.94 114.58 118.63 1fgr h GLU 644 Ca 0.32 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 1fgr h GLU 644 Cb 0.02 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1fgr h GLU 644 CO -0.05 0.37 0.49 1.25 -1.00 0.00 0.00 179.01 180.07 1fgr h LEU 645 N -0.21 0.81 -0.56 1.33 5.85 -1.80 0.85 115.31 121.58 1fgr h LEU 645 Ca 0.01 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1fgr h LEU 645 Cb 0.33 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1fgr h LEU 645 CO 0.00 0.56 -0.04 1.56 -0.34 0.00 0.00 178.44 180.19 1fgr h GLN 646 N 0.96 1.02 -0.22 1.25 1.08 -1.18 -1.65 115.11 116.37 1fgr h GLN 646 Ca 0.31 -0.34 -0.13 0.00 -1.45 0.00 0.00 58.65 57.04 1fgr h GLN 646 Cb 0.00 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1fgr h GLN 646 CO -0.11 1.03 -0.39 0.45 -0.95 0.00 0.00 178.83 178.86 1fgr h HIS 647 N 0.90 0.60 0.62 2.96 3.86 -0.99 -1.32 115.15 121.78 1fgr h HIS 647 Ca 0.15 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1fgr h HIS 647 Cb 0.59 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 28.94 1fgr h HIS 647 CO 0.04 0.82 -0.30 2.35 0.86 0.00 0.00 177.93 181.71 1fgr h TRP 648 N 0.42 -0.77 -0.46 2.45 7.01 -0.62 -1.40 115.95 122.59 1fgr h TRP 648 Ca 0.04 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 1fgr h TRP 648 Cb 0.87 0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 28.17 1fgr h TRP 648 CO 0.03 -0.46 0.15 2.35 -2.79 0.00 0.00 178.44 177.72 1fgr h TRP 649 N -0.89 0.73 -0.95 2.65 2.91 -1.33 -0.15 115.95 118.93 1fgr h TRP 649 Ca -0.08 -0.07 0.05 0.00 1.13 0.00 0.00 58.89 59.92 1fgr h TRP 649 Cb 0.66 -0.21 -0.06 0.00 -0.51 0.00 0.00 29.16 29.03 1fgr h TRP 649 CO -0.02 0.65 0.62 -0.22 -1.03 0.00 0.00 178.44 178.44 1fgr h LYS 650 N 0.60 1.11 -0.04 2.65 3.64 -1.20 -2.03 116.57 121.30 1fgr h LYS 650 Ca 0.15 -0.07 -0.25 0.00 -1.27 0.00 0.00 60.65 59.21 1fgr h LYS 650 Cb 0.26 -0.25 0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1fgr h LYS 650 CO -0.01 0.73 -0.97 1.49 -2.27 0.00 0.00 179.45 178.43 1fgr h GLU 651 N 1.14 0.73 -0.64 1.90 4.81 -0.96 -0.78 114.58 120.79 1fgr h GLU 651 Ca 0.40 -0.73 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1fgr h GLU 651 Cb 0.11 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 1fgr h GLU 651 CO -0.14 1.31 0.36 0.00 -0.73 0.00 0.00 179.01 179.81 1fgr h ALA 652 N 0.44 0.84 0.05 2.92 0.00 -0.70 -0.15 119.26 122.66 1fgr h ALA 652 Ca -0.11 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1fgr h ALA 652 Cb 1.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1fgr h ALA 652 CO 0.19 0.05 -0.02 0.28 0.00 0.00 0.00 179.25 179.75 1fgr h VAL 653 N 0.68 0.81 0.00 0.00 2.07 -1.42 -0.63 116.25 117.76 1fgr h VAL 653 Ca 0.28 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 1fgr h VAL 653 Cb 0.14 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1fgr h VAL 653 CO -0.16 0.26 -0.14 -0.33 0.02 0.00 0.00 177.57 177.23 1fgr h GLU 654 N -0.98 0.00 0.00 1.57 5.08 -1.17 -2.28 114.58 116.80 1fgr h GLU 654 Ca -0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1fgr h GLU 654 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1fgr h GLU 654 CO 0.01 0.14 -0.88 1.63 -1.00 0.00 0.00 179.01 178.91 1fgr n LYS 655 N -3.26 0.14 -0.11 2.33 4.76 -0.16 -4.05 118.16 117.82 1fgr n LYS 655 Ca 0.01 0.06 -0.07 0.00 -2.87 0.00 0.00 58.31 55.43 1fgr n LYS 655 Cb 0.40 -0.75 0.01 0.00 -1.84 0.00 0.00 35.03 32.85 1fgr n LYS 655 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1fgr h GLY 656 N -0.25 0.48 -3.09 0.72 0.00 -0.82 -2.49 103.07 97.61 1fgr h GLY 656 Ca -0.10 -0.13 -0.42 0.00 0.00 0.00 0.00 47.33 46.68 1fgr h GLY 656 CO -0.06 0.10 -0.63 1.42 0.00 0.00 0.00 176.54 177.37 1fgr n HIS 657 N -4.93 2.11 -0.00 5.60 8.25 -0.29 -1.15 115.22 124.80 1fgr n HIS 657 Ca 0.01 -2.08 0.21 0.00 -0.26 0.00 0.00 57.72 55.60 1fgr n HIS 657 Cb 0.08 -0.38 0.71 0.00 1.12 0.00 0.00 29.99 31.52 1fgr n HIS 657 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1fgr h GLY 658 N 1.86 0.00 2.00 -1.41 0.00 -0.93 -1.52 103.07 103.08 1fgr h GLY 658 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1fgr h GLY 658 CO 0.62 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.38 1fgr n ASP 659 N -4.24 0.12 -0.28 0.19 8.00 -1.26 -1.84 116.55 117.24 1fgr n ASP 659 Ca 0.10 0.53 0.04 0.00 0.71 0.00 0.00 54.79 56.18 1fgr n ASP 659 Cb 0.65 -0.55 0.10 0.00 -0.02 0.00 0.00 41.12 41.29 1fgr n ASP 659 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1fgr n LEU 660 N -1.63 2.54 0.29 0.64 4.77 -0.57 -4.69 117.00 118.35 1fgr n LEU 660 Ca 0.03 -2.35 0.20 0.00 -0.03 0.00 0.00 56.01 53.86 1fgr n LEU 660 Cb 0.17 -0.21 1.01 0.00 -2.33 0.00 0.00 43.42 42.06 1fgr n LEU 660 CO 0.14 0.62 1.09 0.07 -1.33 0.00 0.00 177.39 177.98 1fgr h LYS 661 N 0.73 0.00 -0.00 3.23 2.10 -1.37 -1.86 116.57 119.40 1fgr h LYS 661 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1fgr h LYS 661 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 1fgr h LYS 661 CO 0.03 0.00 -0.03 -0.40 -2.00 0.00 0.00 179.45 177.05 1fgr n ASP 662 N -2.90 0.19 -4.76 7.07 5.75 -1.26 -4.88 116.55 115.76 1fgr n ASP 662 Ca -0.02 -0.57 -0.39 0.00 -0.01 0.00 0.00 54.79 53.80 1fgr n ASP 662 Cb 0.10 -0.13 -0.05 0.00 -1.03 0.00 0.00 41.12 40.00 1fgr n ASP 662 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1fgr s LYS 663 N -2.35 4.66 0.46 0.11 -0.14 -0.70 -4.98 119.74 116.80 1fgr s LYS 663 Ca 0.35 1.52 0.29 0.00 -1.36 0.00 0.00 55.97 56.77 1fgr s LYS 663 Cb 0.21 -3.05 1.02 0.00 -1.68 0.00 0.00 37.83 34.33 1fgr s LYS 663 CO 0.43 0.31 1.84 -1.35 -0.76 0.00 0.00 175.35 175.82 1fgr h PRO 664 N 3.62 0.00 -0.00 -1.68 0.11 -1.90 -3.34 132.00 128.81 1fgr h PRO 664 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1fgr h PRO 664 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1fgr h PRO 664 CO 0.66 0.00 -0.03 -2.67 -0.21 0.00 0.00 178.00 175.76 1fgr n TRP 665 N -2.92 0.00 -1.99 0.65 4.27 -1.26 -4.90 117.44 111.29 1fgr n TRP 665 Ca 0.02 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.21 1fgr n TRP 665 Cb 0.36 -0.22 -0.03 0.00 -1.36 0.00 0.00 31.31 30.06 1fgr n TRP 665 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1fgr s TRP 666 N -2.48 3.03 0.61 -2.67 0.52 -1.26 -4.75 118.94 111.95 1fgr s TRP 666 Ca 0.31 0.90 -0.19 0.00 0.02 0.00 0.00 56.10 57.15 1fgr s TRP 666 Cb 0.20 -3.85 -0.03 0.00 -1.15 0.00 0.00 33.47 28.64 1fgr s TRP 666 CO 0.45 -2.90 1.23 -2.14 0.02 0.00 0.00 176.95 173.61 1fgr s PRO 667 N 0.12 2.86 0.08 4.98 0.02 -1.26 -4.96 135.00 136.85 1fgr s PRO 667 Ca 0.63 1.88 0.09 0.00 0.02 0.00 0.00 61.00 63.62 1fgr s PRO 667 Cb -0.42 -1.91 -0.20 0.00 0.02 0.00 0.00 34.50 31.98 1fgr s PRO 667 CO 0.39 -1.31 1.12 0.87 -0.33 0.00 0.00 177.00 177.75 1fgr h LYS 668 N 0.79 0.00 -4.86 5.54 1.79 -1.95 -3.49 116.57 114.39 1fgr h LYS 668 Ca -0.51 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 57.70 1fgr h LYS 668 Cb 1.31 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 32.09 1fgr h LYS 668 CO 0.55 0.84 -0.59 -0.11 -1.08 0.00 0.00 179.45 179.05 1fgr n LEU 669 N -3.26 -3.53 0.00 2.94 7.94 -1.26 -4.93 117.00 114.90 1fgr n LEU 669 Ca -0.04 -0.48 0.00 0.00 -1.11 0.00 0.00 56.01 54.38 1fgr n LEU 669 Cb 0.96 -2.55 0.00 0.00 0.53 0.00 0.00 43.42 42.36 1fgr n LEU 669 CO 0.46 0.33 0.48 0.00 -1.11 0.00 0.00 177.39 177.55 1fgr n GLN 670 N -3.55 2.72 -3.99 1.96 1.13 -1.26 -4.55 117.38 109.85 1fgr n GLN 670 Ca -0.19 -1.41 -0.08 0.00 -1.94 0.00 0.00 57.00 53.37 1fgr n GLN 670 Cb 0.62 -0.97 -0.09 0.00 0.11 0.00 0.00 30.24 29.92 1fgr n GLN 670 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1fgr s THR 671 N -0.91 0.16 0.28 5.09 -4.23 -1.26 -4.48 115.64 110.28 1fgr s THR 671 Ca 0.00 -1.52 -0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1fgr s THR 671 Cb 0.00 -1.55 0.12 0.00 1.34 0.00 0.00 72.50 72.41 1fgr s THR 671 CO 0.00 -0.71 1.79 -0.07 -0.54 0.00 0.00 174.62 175.08 1fgr h LEU 672 N 2.89 0.68 -0.41 4.79 3.38 -1.86 -2.31 115.31 122.47 1fgr h LEU 672 Ca -0.34 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1fgr h LEU 672 Cb 1.18 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1fgr h LEU 672 CO 0.59 0.76 0.27 -0.08 0.09 0.00 0.00 178.44 180.07 1fgr h GLU 673 N 0.67 0.54 -0.40 1.13 4.81 -1.99 -1.59 114.58 117.75 1fgr h GLU 673 Ca 0.13 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 1fgr h GLU 673 Cb 0.42 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1fgr h GLU 673 CO 0.02 0.36 -0.19 -0.44 -0.73 0.00 0.00 179.01 178.03 1fgr h ASP 674 N 0.56 0.78 -0.39 1.04 5.19 -1.91 -1.43 116.42 120.26 1fgr h ASP 674 Ca 0.15 -0.27 -0.03 0.00 -0.62 0.00 0.00 57.03 56.26 1fgr h ASP 674 Cb -0.06 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.22 1fgr h ASP 674 CO -0.03 0.96 0.11 0.25 -3.12 0.00 0.00 179.24 177.41 1fgr h LEU 675 N 0.69 0.57 -0.38 1.55 5.85 -1.15 -1.02 115.31 121.42 1fgr h LEU 675 Ca 0.10 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1fgr h LEU 675 Cb 0.69 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1fgr h LEU 675 CO 0.05 0.64 0.21 0.58 -0.34 0.00 0.00 178.44 179.59 1fgr h VAL 676 N 0.48 1.14 0.19 1.05 2.07 -1.18 -1.59 116.25 118.41 1fgr h VAL 676 Ca 0.12 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1fgr h VAL 676 Cb 0.29 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1fgr h VAL 676 CO -0.00 0.15 -0.19 -0.08 0.02 0.00 0.00 177.57 177.47 1fgr h GLU 677 N 0.49 -0.39 -0.37 1.57 4.81 -1.04 0.65 114.58 120.31 1fgr h GLU 677 Ca 0.14 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1fgr h GLU 677 Cb 0.05 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1fgr h GLU 677 CO -0.02 -0.26 0.17 0.28 -0.73 0.00 0.00 179.01 178.45 1fgr h VAL 678 N -0.41 0.97 -0.60 0.32 2.07 -1.07 -1.03 116.25 116.51 1fgr h VAL 678 Ca 0.00 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 1fgr h VAL 678 Cb 0.38 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1fgr h VAL 678 CO -0.05 0.07 0.02 0.00 0.02 0.00 0.00 177.57 177.63 1fgr h LEU 680 N 0.94 0.53 -0.41 0.00 5.85 -0.56 -0.83 115.31 120.83 1fgr h LEU 680 Ca 0.17 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1fgr h LEU 680 Cb 0.53 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1fgr h LEU 680 CO 0.03 0.38 -0.03 0.40 -0.34 0.00 0.00 178.44 178.88 1fgr h ILE 681 N 0.63 1.27 -0.39 4.05 2.04 -1.09 -0.68 117.51 123.33 1fgr h ILE 681 Ca 0.18 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1fgr h ILE 681 Cb -0.06 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1fgr h ILE 681 CO -0.05 0.36 0.24 0.40 0.00 0.00 0.00 178.15 179.10 1fgr h ILE 682 N 0.56 1.13 -0.57 -0.67 2.04 -1.16 -1.49 117.51 117.35 1fgr h ILE 682 Ca 0.11 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 1fgr h ILE 682 Cb 0.52 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1fgr h ILE 682 CO 0.03 0.13 0.04 0.40 0.00 0.00 0.00 178.15 178.75 1fgr h ILE 683 N 0.51 1.25 -0.06 -0.67 2.04 -1.05 -2.45 117.51 117.09 1fgr h ILE 683 Ca 0.14 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 1fgr h ILE 683 Cb 0.00 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1fgr h ILE 683 CO -0.03 0.38 0.03 -0.25 0.00 0.00 0.00 178.15 178.28 1fgr h TRP 684 N 0.88 0.08 -0.45 1.37 2.91 -0.83 -1.69 115.95 118.22 1fgr h TRP 684 Ca 0.17 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1fgr h TRP 684 Cb 0.46 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.06 1fgr h TRP 684 CO 0.03 0.15 0.29 0.82 -1.03 0.00 0.00 178.44 178.70 1fgr h ILE 685 N -0.01 1.13 -0.01 2.65 2.04 -1.21 -1.10 117.51 120.99 1fgr h ILE 685 Ca 0.02 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.53 1fgr h ILE 685 Cb 0.09 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1fgr h ILE 685 CO -0.00 0.12 -0.48 0.00 0.00 0.00 0.00 178.15 177.79 1fgr h ALA 686 N 1.15 1.18 -3.00 1.87 0.00 -1.34 -2.55 119.26 116.57 1fgr h ALA 686 Ca 0.16 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1fgr h ALA 686 Cb -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1fgr h ALA 686 CO -0.03 0.61 0.00 -1.13 0.00 0.00 0.00 179.25 178.70 1fgr n SER 687 N -3.97 0.00 -0.21 0.00 3.41 -0.65 -2.72 113.62 109.49 1fgr n SER 687 Ca -0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.53 1fgr n SER 687 Cb 0.50 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.48 1fgr n SER 687 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fgr h ALA 688 N -1.53 0.75 0.00 7.33 0.00 -1.73 -0.35 119.26 123.74 1fgr h ALA 688 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1fgr h ALA 688 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1fgr h ALA 688 CO 0.00 0.28 -0.00 1.25 0.00 0.00 0.00 179.25 180.78 1fgr h LEU 689 N 0.79 -0.01 -0.88 0.00 5.85 -1.35 -0.59 115.31 119.13 1fgr h LEU 689 Ca 0.21 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1fgr h LEU 689 Cb 0.06 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1fgr h LEU 689 CO -0.03 0.13 0.48 -0.74 -0.34 0.00 0.00 178.44 177.94 1fgr h HIS 690 N -0.14 1.20 -0.41 1.25 2.76 -1.37 -2.41 115.15 116.02 1fgr h HIS 690 Ca -0.00 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1fgr h HIS 690 Cb 0.14 -0.39 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 1fgr h HIS 690 CO -0.03 0.83 0.21 0.00 -1.30 0.00 0.00 177.93 177.64 1fgr h ALA 691 N 1.26 0.53 -0.10 5.26 0.00 -0.80 -0.32 119.26 125.10 1fgr h ALA 691 Ca 0.31 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1fgr h ALA 691 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1fgr h ALA 691 CO -0.05 0.08 -0.11 0.00 0.00 0.00 0.00 179.25 179.17 1fgr h ALA 692 N 1.06 1.62 -0.00 0.00 0.00 -0.79 -1.73 119.26 119.41 1fgr h ALA 692 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fgr h ALA 692 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1fgr h ALA 692 CO -0.02 0.28 -0.68 1.33 0.00 0.00 0.00 179.25 180.16 1fgr n VAL 693 N -4.32 0.00 -0.11 0.00 0.24 -0.94 -4.63 118.33 108.57 1fgr n VAL 693 Ca -0.01 -0.08 -0.22 0.00 -2.04 0.00 0.00 64.34 61.99 1fgr n VAL 693 Cb 0.23 0.83 -0.08 0.00 -1.47 0.00 0.00 33.84 33.35 1fgr n VAL 693 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1fgr n ASN 694 N -1.04 1.59 0.00 -1.34 5.15 -0.15 -4.69 115.26 114.78 1fgr n ASN 694 Ca 0.07 0.23 0.11 0.00 -0.60 0.00 0.00 54.58 54.38 1fgr n ASN 694 Cb 0.37 -0.60 0.66 0.00 -0.53 0.00 0.00 39.78 39.68 1fgr n ASN 694 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1fgr n PHE 695 N -3.87 0.00 -0.09 1.20 3.72 -0.69 -1.76 117.46 115.96 1fgr n PHE 695 Ca -0.41 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.10 1fgr n PHE 695 Cb 0.81 -0.01 0.28 0.00 -0.94 0.00 0.00 39.48 39.62 1fgr n PHE 695 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fgr n GLY 696 N 0.40 2.19 0.30 1.37 0.00 -1.26 -4.35 105.19 103.84 1fgr n GLY 696 Ca 0.17 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 1fgr n GLY 696 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fgr h GLU 697 N 4.39 -0.67 0.09 1.61 5.08 -1.63 -1.45 114.58 122.01 1fgr h GLU 697 Ca 0.00 0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 58.14 1fgr h GLU 697 Cb 0.99 0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.41 1fgr h GLU 697 CO 0.00 -0.44 -1.15 -0.92 -1.00 0.00 0.00 179.01 175.50 1fgr h TYR 698 N -0.69 0.67 -0.93 4.33 3.20 -1.83 0.25 116.97 121.97 1fgr h TYR 698 Ca -0.06 -0.43 0.14 0.00 3.14 0.00 0.00 58.73 61.51 1fgr h TYR 698 Cb 0.54 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.69 1fgr h TYR 698 CO -0.06 1.29 0.59 -1.35 -1.64 0.00 0.00 178.16 177.00 1fgr h PRO 699 N 0.18 0.78 0.00 1.82 0.11 -1.79 0.21 132.00 133.30 1fgr h PRO 699 Ca -0.13 -0.05 -0.38 0.00 0.11 0.00 0.00 66.00 65.55 1fgr h PRO 699 Cb 1.83 -0.18 -0.07 0.00 0.11 0.00 0.00 31.00 32.70 1fgr h PRO 699 CO 0.20 0.51 -2.44 0.66 -0.21 0.00 0.00 178.00 176.73 1fgr n TYR 700 N -4.59 0.00 1.27 0.65 4.01 -0.55 -0.92 117.16 117.02 1fgr n TYR 700 Ca 0.18 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.05 1fgr n TYR 700 Cb 0.43 -1.00 0.34 0.00 -0.31 0.00 0.00 39.34 38.81 1fgr n TYR 700 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fgr n GLY 701 N 2.07 -0.16 0.05 2.72 0.00 0.88 -4.10 105.19 106.65 1fgr n GLY 701 Ca -0.41 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.21 1fgr n GLY 701 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fgr n GLY 702 N 1.30 -0.97 3.28 -0.02 0.00 0.73 -3.97 105.19 105.54 1fgr n GLY 702 Ca 0.14 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1fgr n GLY 702 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fgr s LEU 703 N -3.54 4.48 0.54 0.99 2.96 -1.26 -4.85 118.68 118.00 1fgr s LEU 703 Ca 0.04 -1.19 0.20 0.00 -0.22 0.00 0.00 54.13 52.96 1fgr s LEU 703 Cb 0.07 -1.90 1.41 0.00 0.50 0.00 0.00 46.19 46.28 1fgr s LEU 703 CO 0.24 -0.36 2.16 -0.29 -1.32 0.00 0.00 176.35 176.78 1fgr h ILE 704 N 6.14 0.86 0.00 6.68 6.09 -1.88 -1.01 117.51 134.38 1fgr h ILE 704 Ca -0.23 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.20 1fgr h ILE 704 Cb 1.08 0.97 -0.01 0.00 0.47 0.00 0.00 36.82 39.34 1fgr h ILE 704 CO 0.63 0.00 -0.29 0.24 -3.07 0.00 0.00 178.15 175.65 1fgr h MET 705 N 0.00 0.00 0.08 2.19 2.86 -1.94 -1.72 114.93 116.40 1fgr h MET 705 Ca 0.02 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.41 1fgr h MET 705 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1fgr h MET 705 CO -0.00 0.29 -1.15 -0.97 1.06 0.00 0.00 176.91 176.15 1fgr h ASN 706 N 0.00 0.28 -2.05 1.22 -1.24 -1.48 -3.39 115.58 108.91 1fgr h ASN 706 Ca -0.00 -0.29 -0.56 0.00 0.71 0.00 0.00 56.30 56.15 1fgr h ASN 706 Cb 0.58 -0.09 -0.40 0.00 0.73 0.00 0.00 38.32 39.14 1fgr h ASN 706 CO 0.04 1.22 -0.99 0.54 -1.29 0.00 0.00 177.43 176.95 1fgr n ARG 707 N -3.48 1.25 -1.87 6.67 5.12 -1.11 -4.99 116.66 118.25 1fgr n ARG 707 Ca -0.05 -3.63 -0.40 0.00 -1.93 0.00 0.00 57.85 51.83 1fgr n ARG 707 Cb 0.99 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 30.74 1fgr n ARG 707 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1fgr s PRO 708 N -1.72 4.02 0.01 5.56 0.04 -0.66 -4.83 135.00 137.41 1fgr s PRO 708 Ca 0.37 2.45 0.22 0.00 0.04 0.00 0.00 61.00 64.08 1fgr s PRO 708 Cb 0.19 -2.88 -0.07 0.00 0.04 0.00 0.00 34.50 31.79 1fgr s PRO 708 CO -0.09 -0.56 0.96 0.25 0.04 0.00 0.00 177.00 177.61 1fgr n THR 709 N 0.30 0.04 -3.56 1.26 -2.24 -1.26 -3.94 114.28 104.88 1fgr n THR 709 Ca 0.02 -0.11 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 1fgr n THR 709 Cb 0.41 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.19 1fgr n THR 709 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fgr s ALA 710 N -3.10 -1.27 0.02 6.98 0.00 -1.26 -1.52 121.76 121.61 1fgr s ALA 710 Ca 0.06 0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.45 1fgr s ALA 710 Cb 0.16 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1fgr s ALA 710 CO 0.83 -0.60 -0.13 -1.54 0.00 0.00 0.00 175.76 174.32 1fgr s SER 711 N -2.38 1.58 0.00 0.00 1.04 -1.26 -2.21 113.70 110.48 1fgr s SER 711 Ca -0.02 -0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.07 1fgr s SER 711 Cb 0.00 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 1fgr s SER 711 CO -0.07 0.07 0.32 0.54 0.98 0.00 0.00 173.24 175.08 1fgr n ARG 712 N 2.18 3.78 -3.62 4.02 1.74 0.11 -1.62 116.66 123.24 1fgr n ARG 712 Ca -0.17 -0.24 -0.12 0.00 -0.77 0.00 0.00 57.85 56.55 1fgr n ARG 712 Cb 0.55 -0.81 -0.05 0.00 -1.02 0.00 0.00 32.46 31.12 1fgr n ARG 712 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1fgr s ARG 713 N -1.06 1.00 0.72 5.56 1.70 -1.26 -4.19 118.95 121.43 1fgr s ARG 713 Ca 0.03 -0.41 -0.05 0.00 -0.47 0.00 0.00 55.73 54.82 1fgr s ARG 713 Cb 0.03 0.45 0.15 0.00 -0.57 0.00 0.00 34.95 35.01 1fgr s ARG 713 CO 0.13 -0.37 0.98 1.28 -1.08 0.00 0.00 175.30 176.25 1fgr n LEU 714 N 0.27 0.00 -4.77 -1.89 4.77 -1.26 -4.83 117.00 109.28 1fgr n LEU 714 Ca -0.18 -1.70 -0.40 0.00 -0.03 0.00 0.00 56.01 53.70 1fgr n LEU 714 Cb 0.61 -0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 1fgr n LEU 714 CO 0.19 -1.07 0.99 -0.76 -1.33 0.00 0.00 177.39 175.41 1fgr s LEU 715 N 0.00 4.30 0.62 2.23 1.43 -1.26 -5.00 118.68 121.00 1fgr s LEU 715 Ca 0.62 2.72 -0.13 0.00 -1.03 0.00 0.00 54.13 56.30 1fgr s LEU 715 Cb -0.03 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 1fgr s LEU 715 CO 0.42 -0.74 1.04 -2.16 0.23 0.00 0.00 176.35 175.14 1fgr s PRO 716 N -2.06 3.37 0.25 1.29 0.04 -1.26 -5.05 135.00 131.58 1fgr s PRO 716 Ca 0.53 0.99 -0.24 0.00 0.04 0.00 0.00 61.00 62.32 1fgr s PRO 716 Cb -0.40 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 1fgr s PRO 716 CO 0.52 -0.75 0.83 -1.21 0.04 0.00 0.00 177.00 176.43 1fgr s GLU 717 N -4.60 4.49 0.47 4.56 0.41 -1.26 -4.88 118.70 117.90 1fgr s GLU 717 Ca 0.59 1.15 -0.24 0.00 -0.41 0.00 0.00 54.97 56.06 1fgr s GLU 717 Cb -0.13 -2.97 -0.07 0.00 -1.78 0.00 0.00 34.13 29.17 1fgr s GLU 717 CO 0.45 0.40 1.37 0.15 -0.49 0.00 0.00 175.26 177.14 1fgr s LYS 718 N -1.75 3.57 0.00 1.61 1.02 -1.26 -2.79 119.74 120.15 1fgr s LYS 718 Ca 0.44 2.28 0.00 0.00 0.02 0.00 0.00 55.97 58.71 1fgr s LYS 718 Cb -0.20 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1fgr s LYS 718 CO 0.24 -0.86 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 1fgr n GLY 719 N 0.63 0.77 3.58 -3.33 0.00 -1.26 -5.05 105.19 100.52 1fgr n GLY 719 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1fgr n GLY 719 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fgr s THR 720 N -2.27 2.92 0.40 2.61 -4.23 -1.12 -5.03 115.64 108.93 1fgr s THR 720 Ca 0.00 -2.10 0.19 0.00 -1.18 0.00 0.00 61.69 58.60 1fgr s THR 720 Cb 0.00 -2.65 0.20 0.00 1.34 0.00 0.00 72.50 71.39 1fgr s THR 720 CO 0.00 -0.34 1.97 1.55 -0.54 0.00 0.00 174.62 177.26 1fgr h PRO 721 N 2.00 0.00 -0.58 3.99 0.13 -1.98 -1.88 132.00 133.68 1fgr h PRO 721 Ca -0.42 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 1fgr h PRO 721 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1fgr h PRO 721 CO 0.62 0.21 0.09 0.93 -0.23 0.00 0.00 178.00 179.62 1fgr h GLU 722 N 0.00 0.94 -0.42 0.86 3.07 -1.95 0.48 114.58 117.56 1fgr h GLU 722 Ca -0.00 -0.23 -0.09 0.00 -0.50 0.00 0.00 59.36 58.54 1fgr h GLU 722 Cb 0.43 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1fgr h GLU 722 CO 0.03 0.87 -0.08 -0.92 -1.40 0.00 0.00 179.01 177.51 1fgr h TYR 723 N 0.89 0.89 -0.58 4.33 5.03 -1.56 -2.56 116.97 123.40 1fgr h TYR 723 Ca 0.18 -0.18 0.02 0.00 2.58 0.00 0.00 58.73 61.32 1fgr h TYR 723 Cb 0.39 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.42 1fgr h TYR 723 CO 0.02 0.90 0.38 0.93 -1.32 0.00 0.00 178.16 179.08 1fgr h GLU 724 N 0.62 0.72 -0.87 1.82 4.39 -0.78 -1.69 114.58 118.79 1fgr h GLU 724 Ca 0.11 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1fgr h GLU 724 Cb 0.60 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1fgr h GLU 724 CO 0.04 0.48 0.45 1.49 -1.16 0.00 0.00 179.01 180.31 1fgr h GLU 725 N 0.75 1.24 -0.34 2.33 4.81 -0.53 -0.74 114.58 122.09 1fgr h GLU 725 Ca 0.22 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1fgr h GLU 725 Cb -0.03 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 1fgr h GLU 725 CO -0.05 0.92 0.22 0.52 -0.73 0.00 0.00 179.01 179.89 1fgr h MET 726 N 1.23 0.38 0.01 1.92 2.86 -0.97 0.36 114.93 120.71 1fgr h MET 726 Ca 0.30 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.89 1fgr h MET 726 Cb 0.07 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1fgr h MET 726 CO -0.04 0.25 -0.15 0.82 1.06 0.00 0.00 176.91 178.85 1fgr h ILE 727 N 0.39 1.64 0.00 -1.22 2.04 -1.24 -3.33 117.51 115.79 1fgr h ILE 727 Ca 0.13 -2.07 -0.14 0.00 1.00 0.00 0.00 64.86 63.78 1fgr h ILE 727 Cb 0.05 3.01 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 1fgr h ILE 727 CO -0.03 0.55 -1.04 0.78 0.00 0.00 0.00 178.15 178.41 1fgr h ASN 728 N -0.71 0.00 -1.50 1.72 2.35 -0.92 -3.42 115.58 113.10 1fgr h ASN 728 Ca -0.02 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.30 1fgr h ASN 728 Cb 0.98 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 39.06 1fgr h ASN 728 CO 0.03 0.56 -0.84 -3.20 -1.65 0.00 0.00 177.43 172.33 1fgr n ASN 729 N -3.04 -1.26 0.08 5.81 2.85 0.12 -5.00 115.26 114.82 1fgr n ASN 729 Ca -0.05 -2.78 0.04 0.00 -0.11 0.00 0.00 54.58 51.68 1fgr n ASN 729 Cb 0.80 0.31 0.43 0.00 1.24 0.00 0.00 39.78 42.56 1fgr n ASN 729 CO 0.00 0.00 0.00 1.12 -2.11 0.00 0.00 177.26 176.27 1fgr h HIS 730 N 4.59 0.36 -0.49 1.20 2.07 -1.67 -1.77 115.15 119.43 1fgr h HIS 730 Ca 0.07 -0.01 -0.11 0.00 -2.85 0.00 0.00 60.37 57.47 1fgr h HIS 730 Cb 0.96 -0.11 -0.02 0.00 2.57 0.00 0.00 27.41 30.81 1fgr h HIS 730 CO 0.22 0.32 -0.14 0.93 -3.07 0.00 0.00 177.93 176.19 1fgr h GLU 731 N 0.37 0.93 -0.36 5.12 5.08 -1.92 -1.34 114.58 122.46 1fgr h GLU 731 Ca 0.09 -0.35 -0.14 0.00 -1.00 0.00 0.00 59.36 57.97 1fgr h GLU 731 Cb 0.13 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1fgr h GLU 731 CO -0.01 1.01 -0.32 -0.22 -1.00 0.00 0.00 179.01 178.47 1fgr h LYS 732 N 0.83 0.80 -0.73 2.33 1.63 -1.66 -0.36 116.57 119.41 1fgr h LYS 732 Ca 0.13 -0.38 0.02 0.00 -0.85 0.00 0.00 60.65 59.57 1fgr h LYS 732 Cb 0.68 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.26 1fgr h LYS 732 CO 0.05 1.01 0.47 0.00 -3.45 0.00 0.00 179.45 177.53 1fgr h ALA 733 N 0.96 0.95 -0.07 5.00 0.00 -1.03 0.02 119.26 125.09 1fgr h ALA 733 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1fgr h ALA 733 Cb 0.87 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1fgr h ALA 733 CO 0.08 0.28 -0.00 -0.92 0.00 0.00 0.00 179.25 178.69 1fgr h TYR 734 N 0.93 0.13 -0.09 0.00 3.20 -1.00 -2.76 116.97 117.38 1fgr h TYR 734 Ca 0.29 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 1fgr h TYR 734 Cb -0.02 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1fgr h TYR 734 CO -0.03 0.39 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.60 1fgr h LEU 735 N -0.18 0.15 -0.89 2.82 3.38 -0.73 -1.72 115.31 118.14 1fgr h LEU 735 Ca 0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1fgr h LEU 735 Cb 0.34 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1fgr h LEU 735 CO 0.00 0.38 -0.11 -0.09 0.09 0.00 0.00 178.44 178.71 1fgr h ARG 736 N 0.14 0.00 0.19 1.13 9.65 -0.97 -3.20 114.38 121.31 1fgr h ARG 736 Ca 0.03 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.60 1fgr h ARG 736 Cb 0.47 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.07 1fgr h ARG 736 CO 0.03 0.11 -1.48 1.15 2.80 0.00 0.00 179.97 182.59 1fgr h THR 737 N 0.00 1.13 -4.91 0.20 2.02 -1.03 -3.43 112.91 106.89 1fgr h THR 737 Ca -0.00 -2.54 -0.44 0.00 0.77 0.00 0.00 66.41 64.19 1fgr h THR 737 Cb 0.77 2.90 0.11 0.00 -1.74 0.00 0.00 68.15 70.19 1fgr h THR 737 CO 0.01 0.79 0.22 2.30 0.37 0.00 0.00 175.52 179.22 1fgr n ILE 738 N -3.77 0.00 -1.43 3.11 -5.35 -0.80 0.09 119.36 111.21 1fgr n ILE 738 Ca -0.21 -1.34 -0.56 0.00 -0.27 0.00 0.00 62.75 60.36 1fgr n ILE 738 Cb 1.01 -1.12 -0.08 0.00 -1.74 0.00 0.00 39.64 37.72 1fgr n ILE 738 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1fgr n THR 739 N -3.17 0.01 -1.15 7.28 -1.04 -0.94 -4.71 114.28 110.57 1fgr n THR 739 Ca 0.16 -0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.87 1fgr n THR 739 Cb 0.57 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 69.21 1fgr n THR 739 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1fgr s SER 740 N -0.01 3.68 0.19 8.00 0.15 -1.26 -4.79 113.70 119.66 1fgr s SER 740 Ca 0.87 1.67 -0.12 0.00 0.70 0.00 0.00 55.95 59.07 1fgr s SER 740 Cb -1.21 -2.33 0.19 0.00 -1.71 0.00 0.00 66.02 60.96 1fgr s SER 740 CO 0.55 -2.53 1.77 0.50 1.20 0.00 0.00 173.24 174.72 1fgr h LYS 741 N -1.47 0.44 0.54 5.44 3.64 -1.92 -1.46 116.57 121.78 1fgr h LYS 741 Ca -0.47 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1fgr h LYS 741 Cb 1.27 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1fgr h LYS 741 CO 0.52 0.29 -0.26 1.25 -2.27 0.00 0.00 179.45 178.98 1fgr h LEU 742 N 0.45 -0.61 -2.03 5.20 5.85 -1.93 -0.79 115.31 121.45 1fgr h LEU 742 Ca 0.26 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1fgr h LEU 742 Cb 0.23 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1fgr h LEU 742 CO -0.22 -0.41 -0.09 1.55 -0.34 0.00 0.00 178.44 178.93 1fgr h PRO 743 N -0.76 0.00 -0.27 5.25 0.13 -1.88 -1.78 132.00 132.69 1fgr h PRO 743 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1fgr h PRO 743 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1fgr h PRO 743 CO 0.12 0.09 0.07 1.15 -0.23 0.00 0.00 178.00 179.21 1fgr h THR 744 N 0.00 1.21 -0.89 1.56 2.02 -0.74 0.34 112.91 116.40 1fgr h THR 744 Ca -0.00 -0.67 0.05 0.00 0.77 0.00 0.00 66.41 66.55 1fgr h THR 744 Cb 0.23 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1fgr h THR 744 CO 0.01 0.22 0.59 -0.07 0.37 0.00 0.00 175.52 176.64 1fgr h LEU 745 N 0.27 0.94 -0.13 2.58 3.38 -0.28 0.67 115.31 122.74 1fgr h LEU 745 Ca 0.09 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1fgr h LEU 745 Cb 0.27 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1fgr h LEU 745 CO -0.00 0.63 -0.19 0.40 0.09 0.00 0.00 178.44 179.37 1fgr h ILE 746 N 1.08 1.36 -0.53 1.22 2.04 -1.28 -2.81 117.51 118.59 1fgr h ILE 746 Ca 0.37 -1.42 -0.07 0.00 1.00 0.00 0.00 64.86 64.73 1fgr h ILE 746 Cb 0.08 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1fgr h ILE 746 CO -0.12 0.42 0.04 0.77 0.00 0.00 0.00 178.15 179.25 1fgr h SER 747 N -0.03 0.84 -0.53 1.72 4.64 -0.57 -1.83 113.55 117.78 1fgr h SER 747 Ca 0.01 -0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 1fgr h SER 747 Cb 0.76 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 1fgr h SER 747 CO 0.04 0.88 0.15 -0.07 -0.87 0.00 0.00 176.83 176.96 1fgr h LEU 748 N 0.82 0.83 -0.30 5.97 3.38 -0.91 -1.73 115.31 123.37 1fgr h LEU 748 Ca 0.16 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1fgr h LEU 748 Cb 0.44 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1fgr h LEU 748 CO 0.02 0.81 0.07 0.28 0.09 0.00 0.00 178.44 179.70 1fgr h SER 749 N 0.85 0.45 -0.44 -0.43 0.02 -1.18 -1.61 113.55 111.23 1fgr h SER 749 Ca 0.19 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1fgr h SER 749 Cb 0.30 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1fgr h SER 749 CO -0.00 0.57 -0.02 1.62 -1.14 0.00 0.00 176.83 177.86 1fgr h VAL 750 N 0.31 1.26 0.00 2.27 3.04 -1.03 -2.66 116.25 119.46 1fgr h VAL 750 Ca 0.09 -1.07 -0.03 0.00 -1.01 0.00 0.00 66.70 64.69 1fgr h VAL 750 Cb 0.29 1.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.66 1fgr h VAL 750 CO 0.00 0.37 -0.13 0.16 -1.01 0.00 0.00 177.57 176.95 1fgr h ILE 751 N 0.62 0.34 -0.33 3.17 3.07 -1.33 -1.39 117.51 121.66 1fgr h ILE 751 Ca 0.12 -0.86 -0.07 0.00 1.55 0.00 0.00 64.86 65.61 1fgr h ILE 751 Cb 0.52 1.65 -0.01 0.00 -0.27 0.00 0.00 36.82 38.71 1fgr h ILE 751 CO 0.03 0.13 -0.06 -0.08 -1.05 0.00 0.00 178.15 177.12 1fgr h GLU 752 N 0.00 0.61 -0.10 0.16 4.81 -1.02 -1.84 114.58 117.20 1fgr h GLU 752 Ca -0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1fgr h GLU 752 Cb 0.64 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1fgr h GLU 752 CO 0.02 0.78 0.07 0.82 -0.73 0.00 0.00 179.01 179.96 1fgr h ILE 753 N 0.40 1.04 0.00 2.32 2.04 -1.10 -2.90 117.51 119.31 1fgr h ILE 753 Ca 0.09 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1fgr h ILE 753 Cb 0.54 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1fgr h ILE 753 CO 0.03 0.04 -0.07 -0.07 0.00 0.00 0.00 178.15 178.08 1fgr h LEU 754 N 0.13 0.00 -1.19 1.44 3.38 -1.16 -2.08 115.31 115.83 1fgr h LEU 754 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1fgr h LEU 754 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1fgr h LEU 754 CO -0.01 0.07 0.00 -1.20 0.09 0.00 0.00 178.44 177.39 1fgr n SER 755 N -3.44 1.82 -4.79 -0.43 7.64 -0.70 -4.75 113.62 108.96 1fgr n SER 755 Ca -0.02 -1.66 -0.37 0.00 1.01 0.00 0.00 58.87 57.83 1fgr n SER 755 Cb 0.21 -0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.28 1fgr n SER 755 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1fgr s THR 756 N -1.87 5.32 -0.21 0.44 2.01 -0.78 -4.37 115.64 116.18 1fgr s THR 756 Ca 0.35 0.46 -0.18 0.00 0.31 0.00 0.00 61.69 62.63 1fgr s THR 756 Cb 0.19 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1fgr s THR 756 CO 0.30 0.50 0.48 -1.00 -0.69 0.00 0.00 174.62 174.21 1fgr s HIS 757 N -0.30 3.35 0.59 4.92 3.76 -0.04 -4.91 115.29 122.66 1fgr s HIS 757 Ca 0.16 0.70 -0.18 0.00 -0.15 0.00 0.00 55.06 55.59 1fgr s HIS 757 Cb -0.13 -2.64 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 1fgr s HIS 757 CO 0.05 -0.11 1.16 0.00 -0.85 0.00 0.00 174.74 174.99 1fgr s ALA 758 N 1.67 2.56 -0.50 -1.40 0.00 -1.26 -0.90 121.76 121.94 1fgr s ALA 758 Ca 0.22 0.85 0.24 0.00 0.00 0.00 0.00 51.96 53.26 1fgr s ALA 758 Cb -0.15 -3.39 0.97 0.00 0.00 0.00 0.00 23.12 20.55 1fgr s ALA 758 CO 0.09 -1.07 1.72 -1.13 0.00 0.00 0.00 175.76 175.37 1fgr n SER 759 N -1.69 0.69 -1.62 0.00 3.41 -1.26 -2.37 113.62 110.77 1fgr n SER 759 Ca 0.12 0.66 0.08 0.00 -0.26 0.00 0.00 58.87 59.47 1fgr n SER 759 Cb 0.51 -0.81 0.37 0.00 -0.26 0.00 0.00 64.21 64.01 1fgr n SER 759 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1fgr n ASP 760 N -2.25 5.21 -4.74 4.04 5.68 -1.26 -4.93 116.55 118.30 1fgr n ASP 760 Ca 0.02 -2.92 -0.35 0.00 -0.50 0.00 0.00 54.79 51.05 1fgr n ASP 760 Cb 0.25 -0.64 0.06 0.00 -1.14 0.00 0.00 41.12 39.64 1fgr n ASP 760 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1fgr s GLU 761 N -2.71 2.63 -0.24 0.11 2.56 -1.00 -5.01 118.70 115.04 1fgr s GLU 761 Ca 0.51 1.78 -0.01 0.00 0.00 0.00 0.00 54.97 57.25 1fgr s GLU 761 Cb 0.39 -1.89 0.03 0.00 2.00 0.00 0.00 34.13 34.66 1fgr s GLU 761 CO 0.15 -1.46 -0.09 0.08 -0.56 0.00 0.00 175.26 173.37 1fgr s VAL 762 N -1.79 2.66 0.47 3.70 1.01 -1.26 -5.08 120.40 120.11 1fgr s VAL 762 Ca 0.76 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1fgr s VAL 762 Cb -0.30 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1fgr s VAL 762 CO 0.39 0.23 0.72 -0.31 0.00 0.00 0.00 175.10 176.13 1fgr s TYR 763 N 1.29 3.28 0.16 5.22 2.02 -1.26 -1.52 117.35 126.54 1fgr s TYR 763 Ca -0.00 0.38 -0.34 0.00 -0.37 0.00 0.00 57.07 56.74 1fgr s TYR 763 Cb -0.16 -2.37 -0.14 0.00 -0.40 0.00 0.00 41.96 38.89 1fgr s TYR 763 CO -0.06 -0.42 1.58 -0.11 -1.57 0.00 0.00 175.55 174.98 1fgr n LEU 764 N -2.18 3.12 0.00 -1.29 7.94 0.38 -0.71 117.00 124.25 1fgr n LEU 764 Ca 0.02 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 1fgr n LEU 764 Cb 0.57 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.09 1fgr n LEU 764 CO 0.49 -0.28 0.00 0.61 -1.11 0.00 0.00 177.39 177.11 1fgr n GLY 765 N 3.43 0.43 3.42 -3.96 0.00 -1.26 -4.94 105.19 102.31 1fgr n GLY 765 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1fgr n GLY 765 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fgr s GLN 766 N -0.92 1.53 0.06 1.61 -0.21 0.11 -4.63 119.66 117.21 1fgr s GLN 766 Ca 0.00 -1.66 0.01 0.00 0.02 0.00 0.00 55.36 53.73 1fgr s GLN 766 Cb 0.00 -1.57 -0.03 0.00 1.00 0.00 0.00 33.01 32.41 1fgr s GLN 766 CO 0.00 0.29 -0.06 1.03 -2.12 0.00 0.00 175.29 174.43 1fgr s ARG 767 N -3.39 0.60 0.53 2.91 0.52 -1.26 -4.74 118.95 114.11 1fgr s ARG 767 Ca 0.26 -0.95 0.32 0.00 -0.52 0.00 0.00 55.73 54.84 1fgr s ARG 767 Cb -0.04 -0.17 1.25 0.00 0.52 0.00 0.00 34.95 36.50 1fgr s ARG 767 CO 0.12 0.00 1.94 0.38 0.02 0.00 0.00 175.30 177.75 1fgr h ASP 768 N 3.95 0.00 -3.49 0.23 3.04 -1.99 -3.43 116.42 114.73 1fgr h ASP 768 Ca -0.35 0.00 -0.30 0.00 -3.24 0.00 0.00 57.03 53.14 1fgr h ASP 768 Cb 1.19 0.00 -0.34 0.00 -1.04 0.00 0.00 39.33 39.13 1fgr h ASP 768 CO 0.50 0.00 -0.72 0.21 -2.04 0.00 0.00 179.24 177.19 1fgr s ASN 769 N -5.68 0.15 0.00 4.15 3.84 -1.26 -5.02 114.94 111.12 1fgr s ASN 769 Ca 0.02 0.06 0.12 0.00 0.21 0.00 0.00 52.86 53.27 1fgr s ASN 769 Cb 0.09 -0.06 0.63 0.00 -0.55 0.00 0.00 41.25 41.36 1fgr s ASN 769 CO 0.55 -0.14 1.29 -0.81 -2.79 0.00 0.00 177.10 175.20 1fgr n PRO 770 N 4.29 0.19 -0.60 0.43 -0.04 -1.26 -2.92 135.00 135.09 1fgr n PRO 770 Ca -0.26 0.16 0.03 0.00 -0.04 0.00 0.00 63.50 63.39 1fgr n PRO 770 Cb 0.50 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.66 1fgr n PRO 770 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1fgr n HIS 771 N -1.27 0.47 0.29 0.54 8.25 -1.26 -4.77 115.22 117.48 1fgr n HIS 771 Ca 0.06 -1.43 0.18 0.00 -0.26 0.00 0.00 57.72 56.27 1fgr n HIS 771 Cb 0.09 -0.33 0.94 0.00 1.12 0.00 0.00 29.99 31.81 1fgr n HIS 771 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1fgr h TRP 772 N 0.93 0.00 -3.24 4.41 5.08 -1.90 -3.42 115.95 117.81 1fgr h TRP 772 Ca 0.08 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.93 1fgr h TRP 772 Cb 1.28 0.00 -0.19 0.00 -3.00 0.00 0.00 29.16 27.24 1fgr h TRP 772 CO 0.75 0.00 -0.33 -0.08 -1.28 0.00 0.00 178.44 177.50 1fgr s THR 773 N -4.28 0.07 -1.00 0.12 -1.32 -1.26 -4.88 115.64 103.09 1fgr s THR 773 Ca -0.04 -0.61 0.25 0.00 -1.21 0.00 0.00 61.69 60.08 1fgr s THR 773 Cb 0.12 -0.68 -0.00 0.00 -1.51 0.00 0.00 72.50 70.43 1fgr s THR 773 CO 0.40 -0.34 1.40 -1.54 -2.21 0.00 0.00 174.62 172.33 1fgr n SER 774 N 1.10 0.51 -4.58 8.08 3.41 -0.60 -4.83 113.62 116.72 1fgr n SER 774 Ca -0.21 -0.27 -0.41 0.00 -0.26 0.00 0.00 58.87 57.72 1fgr n SER 774 Cb 0.57 0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.76 1fgr n SER 774 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1fgr s ASP 775 N -3.00 5.85 0.41 4.04 1.11 -1.26 -4.88 116.67 118.94 1fgr s ASP 775 Ca 0.11 0.76 0.10 0.00 0.18 0.00 0.00 52.55 53.69 1fgr s ASP 775 Cb 0.17 -2.53 0.92 0.00 1.07 0.00 0.00 42.92 42.55 1fgr s ASP 775 CO 0.70 -1.84 2.01 0.77 1.18 0.00 0.00 175.17 178.00 1fgr h SER 776 N 12.67 0.45 -0.48 0.27 4.64 -1.99 -1.85 113.55 127.26 1fgr h SER 776 Ca -0.29 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.90 1fgr h SER 776 Cb 1.14 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1fgr h SER 776 CO 1.12 0.30 -0.21 0.11 -0.87 0.00 0.00 176.83 177.28 1fgr h LYS 777 N 0.52 1.00 -0.59 4.77 1.57 -1.99 0.13 116.57 121.98 1fgr h LYS 777 Ca 0.23 -0.43 -0.10 0.00 -1.87 0.00 0.00 60.65 58.48 1fgr h LYS 777 Cb 0.24 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1fgr h LYS 777 CO -0.06 1.10 -0.01 0.00 -0.57 0.00 0.00 179.45 179.92 1fgr h ALA 778 N 0.88 0.80 -0.41 3.86 0.00 -1.85 -1.31 119.26 121.23 1fgr h ALA 778 Ca 0.11 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1fgr h ALA 778 Cb 0.79 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1fgr h ALA 778 CO 0.07 0.64 -0.08 -0.07 0.00 0.00 0.00 179.25 179.81 1fgr h LEU 779 N 0.94 0.69 -0.44 0.00 3.38 -1.11 -1.38 115.31 117.40 1fgr h LEU 779 Ca 0.17 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1fgr h LEU 779 Cb 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1fgr h LEU 779 CO 0.03 0.81 -0.13 1.56 0.09 0.00 0.00 178.44 180.80 1fgr h GLN 780 N 0.65 0.86 -0.61 1.13 1.08 -0.40 -1.93 115.11 115.89 1fgr h GLN 780 Ca 0.12 -0.34 -0.03 0.00 -1.45 0.00 0.00 58.65 56.96 1fgr h GLN 780 Cb 0.52 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1fgr h GLN 780 CO 0.03 0.97 0.28 0.00 -0.95 0.00 0.00 178.83 179.17 1fgr h ALA 781 N 0.86 0.79 -0.37 3.87 0.00 -1.03 -1.89 119.26 121.50 1fgr h ALA 781 Ca 0.11 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1fgr h ALA 781 Cb 0.67 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1fgr h ALA 781 CO 0.05 0.37 -0.05 0.35 0.00 0.00 0.00 179.25 179.96 1fgr h PHE 782 N 0.84 0.64 -0.60 0.00 3.57 -1.11 -1.99 116.94 118.28 1fgr h PHE 782 Ca 0.21 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1fgr h PHE 782 Cb 0.14 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1fgr h PHE 782 CO 0.00 0.64 0.23 0.37 -2.23 0.00 0.00 178.31 177.33 1fgr h GLN 783 N 0.56 0.91 -0.53 1.11 5.75 -0.84 -1.80 115.11 120.27 1fgr h GLN 783 Ca 0.11 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 58.38 1fgr h GLN 783 Cb 0.43 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 1fgr h GLN 783 CO 0.02 0.78 0.08 0.87 -2.65 0.00 0.00 178.83 177.94 1fgr h LYS 784 N 0.84 0.85 -0.30 1.69 1.57 -0.95 -1.77 116.57 118.50 1fgr h LYS 784 Ca 0.20 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1fgr h LYS 784 Cb 0.22 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1fgr h LYS 784 CO -0.01 0.80 0.16 0.35 -0.57 0.00 0.00 179.45 180.17 1fgr h PHE 785 N 0.81 0.41 -0.67 -1.35 3.57 -0.97 -0.37 116.94 118.37 1fgr h PHE 785 Ca 0.17 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1fgr h PHE 785 Cb 0.37 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1fgr h PHE 785 CO 0.02 0.35 0.30 0.78 -2.23 0.00 0.00 178.31 177.53 1fgr h GLY 786 N 0.35 1.04 1.14 2.40 0.00 -1.07 -1.35 103.07 105.58 1fgr h GLY 786 Ca 0.10 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1fgr h GLY 786 CO -0.02 0.49 -0.05 3.43 0.00 0.00 0.00 176.54 180.39 1fgr h ASN 787 N 0.96 1.01 -0.70 0.19 2.35 -0.95 -2.34 115.58 116.10 1fgr h ASN 787 Ca 0.23 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1fgr h ASN 787 Cb 0.14 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1fgr h ASN 787 CO -0.03 1.09 0.29 0.50 -1.65 0.00 0.00 177.43 177.63 1fgr h LYS 788 N 0.92 1.04 -0.38 0.81 1.63 -0.61 -1.58 116.57 118.40 1fgr h LYS 788 Ca 0.15 -0.18 -0.06 0.00 -0.85 0.00 0.00 60.65 59.71 1fgr h LYS 788 Cb 0.61 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 1fgr h LYS 788 CO 0.04 0.85 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.81 1fgr h LEU 789 N 0.99 0.58 -0.93 5.20 3.38 -0.98 0.86 115.31 124.42 1fgr h LEU 789 Ca 0.24 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1fgr h LEU 789 Cb 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1fgr h LEU 789 CO -0.02 0.66 -0.26 0.11 0.09 0.00 0.00 178.44 179.02 1fgr h LYS 790 N 0.58 0.48 -0.53 1.13 1.57 -1.07 -0.93 116.57 117.80 1fgr h LYS 790 Ca 0.12 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1fgr h LYS 790 Cb 0.38 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1fgr h LYS 790 CO 0.01 0.70 0.01 1.49 -0.57 0.00 0.00 179.45 181.10 1fgr h GLU 791 N 0.42 0.92 -0.50 3.15 4.81 -0.28 -2.70 114.58 120.40 1fgr h GLU 791 Ca 0.06 -0.29 -0.07 0.00 -0.13 0.00 0.00 59.36 58.93 1fgr h GLU 791 Cb 0.68 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1fgr h GLU 791 CO 0.05 0.93 0.03 0.82 -0.73 0.00 0.00 179.01 180.12 1fgr h ILE 792 N 0.79 1.26 -0.84 2.32 2.04 -0.51 -2.84 117.51 119.73 1fgr h ILE 792 Ca 0.15 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.03 1fgr h ILE 792 Cb 0.51 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1fgr h ILE 792 CO 0.02 0.36 0.53 -0.08 0.00 0.00 0.00 178.15 178.99 1fgr h GLU 793 N 0.73 0.99 -0.86 2.37 4.81 -0.99 -0.64 114.58 121.01 1fgr h GLU 793 Ca 0.15 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1fgr h GLU 793 Cb 0.47 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1fgr h GLU 793 CO 0.02 0.66 0.56 0.93 -0.73 0.00 0.00 179.01 180.45 1fgr h GLU 794 N 1.02 1.06 -0.48 1.92 5.08 -1.28 -0.92 114.58 120.97 1fgr h GLU 794 Ca 0.34 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 1fgr h GLU 794 Cb 0.05 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1fgr h GLU 794 CO -0.13 0.70 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.30 1fgr h LYS 795 N 1.09 0.89 -0.16 2.33 3.64 -1.01 -1.96 116.57 121.39 1fgr h LYS 795 Ca 0.33 -0.32 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1fgr h LYS 795 Cb -0.02 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1fgr h LYS 795 CO -0.09 0.96 -0.29 -0.07 -2.27 0.00 0.00 179.45 177.69 1fgr h LEU 796 N 0.75 0.31 -0.47 5.20 3.38 -0.59 -0.65 115.31 123.23 1fgr h LEU 796 Ca 0.13 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1fgr h LEU 796 Cb 0.60 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1fgr h LEU 796 CO 0.04 0.59 0.12 0.58 0.09 0.00 0.00 178.44 179.86 1fgr h VAL 797 N 0.27 1.24 -0.83 1.22 2.07 -0.97 -1.04 116.25 118.22 1fgr h VAL 797 Ca 0.04 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1fgr h VAL 797 Cb 0.65 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1fgr h VAL 797 CO 0.05 0.29 0.39 0.03 0.02 0.00 0.00 177.57 178.35 1fgr h ARG 798 N 0.63 1.20 -0.51 1.57 3.08 -0.75 -1.38 114.38 118.22 1fgr h ARG 798 Ca 0.15 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1fgr h ARG 798 Cb 0.32 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1fgr h ARG 798 CO 0.00 0.93 0.28 0.00 -1.07 0.00 0.00 179.97 180.11 1fgr h ARG 799 N 1.18 0.71 0.00 0.04 3.08 -0.50 -1.26 114.38 117.62 1fgr h ARG 799 Ca 0.28 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1fgr h ARG 799 Cb 0.13 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1fgr h ARG 799 CO -0.03 0.55 -0.23 -0.91 -1.07 0.00 0.00 179.97 178.27 1fgr h ASN 800 N 0.68 0.00 0.23 7.04 2.35 -0.83 -2.14 115.58 122.91 1fgr h ASN 800 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1fgr h ASN 800 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1fgr h ASN 800 CO -0.03 0.23 -0.19 0.59 -1.65 0.00 0.00 177.43 176.39 1fgr n ASN 801 N -3.94 0.93 -4.60 5.81 3.02 -0.55 -4.81 115.26 111.12 1fgr n ASN 801 Ca -0.02 -0.89 -0.43 0.00 -0.03 0.00 0.00 54.58 53.21 1fgr n ASN 801 Cb 0.31 0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.53 1fgr n ASN 801 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1fgr s ASP 802 N -2.43 6.61 0.54 6.41 -1.08 -0.53 -4.91 116.67 121.28 1fgr s ASP 802 Ca 0.27 0.54 0.27 0.00 -0.52 0.00 0.00 52.55 53.11 1fgr s ASP 802 Cb 0.20 -2.55 1.43 0.00 -1.46 0.00 0.00 42.92 40.54 1fgr s ASP 802 CO 0.48 -1.26 1.96 -0.65 0.52 0.00 0.00 175.17 176.23 1fgr h PRO 803 N 9.34 0.00 0.00 4.34 0.11 -1.87 -1.26 132.00 142.67 1fgr h PRO 803 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1fgr h PRO 803 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1fgr h PRO 803 CO 1.12 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.57 1fgr h SER 804 N 0.00 0.00 -0.41 -2.05 4.64 -1.94 -3.00 113.55 110.79 1fgr h SER 804 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1fgr h SER 804 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1fgr h SER 804 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1fgr n LEU 805 N -2.78 3.37 -0.36 5.97 4.77 -0.48 -4.63 117.00 122.86 1fgr n LEU 805 Ca 0.02 -1.60 0.07 0.00 -0.03 0.00 0.00 56.01 54.48 1fgr n LEU 805 Cb 0.34 -0.26 0.24 0.00 -2.33 0.00 0.00 43.42 41.41 1fgr n LEU 805 CO 0.27 0.75 1.23 -0.61 -1.33 0.00 0.00 177.39 177.71 1fgr h GLN 806 N 4.00 0.97 -0.76 3.23 -0.00 -1.55 -1.35 115.11 119.65 1fgr h GLN 806 Ca 0.00 -0.06 0.11 0.00 -0.00 0.00 0.00 58.65 58.71 1fgr h GLN 806 Cb 0.92 -0.22 -0.08 0.00 0.00 0.00 0.00 27.48 28.10 1fgr h GLN 806 CO 0.00 0.64 0.37 0.78 0.00 0.00 0.00 178.83 180.62 1fgr h GLY 807 N 1.00 1.16 0.00 2.39 0.00 -1.84 -0.08 103.07 105.69 1fgr h GLY 807 Ca 0.50 -0.22 -0.30 0.00 0.00 0.00 0.00 47.33 47.31 1fgr h GLY 807 CO -0.27 0.01 -2.27 0.70 0.00 0.00 0.00 176.54 174.72 1fgr n ASN 808 N -4.89 0.23 0.16 0.19 3.02 -1.10 -3.36 115.26 109.51 1fgr n ASN 808 Ca 0.13 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.80 1fgr n ASN 808 Cb 0.34 1.14 0.13 0.00 -0.61 0.00 0.00 39.78 40.77 1fgr n ASN 808 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1fgr h ARG 809 N 0.00 0.00 0.00 3.52 3.08 -1.24 -3.41 114.38 116.33 1fgr h ARG 809 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1fgr h ARG 809 Cb 1.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.04 1fgr h ARG 809 CO 0.02 0.00 -0.67 1.28 -1.07 0.00 0.00 179.97 179.53 1fgr n LEU 810 N -2.80 1.15 0.00 3.04 4.32 -0.54 -0.81 117.00 121.36 1fgr n LEU 810 Ca 0.03 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.07 1fgr n LEU 810 Cb 0.52 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.31 1fgr n LEU 810 CO 0.36 0.12 -0.08 0.61 -1.22 0.00 0.00 177.39 177.18 1fgr n GLY 811 N 2.70 -1.71 0.27 -0.72 0.00 -0.16 -1.77 105.19 103.80 1fgr n GLY 811 Ca 0.00 -1.24 0.18 0.00 0.00 0.00 0.00 46.02 44.96 1fgr n GLY 811 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fgr h PRO 812 N 0.00 0.00 -0.00 1.61 0.13 -1.90 -0.44 132.00 131.40 1fgr h PRO 812 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1fgr h PRO 812 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 1fgr h PRO 812 CO 0.00 0.00 -0.01 1.33 -0.23 0.00 0.00 178.00 179.10 1fgr n VAL 813 N -2.92 0.00 -3.87 1.56 0.24 -1.26 -4.71 118.33 107.38 1fgr n VAL 813 Ca -0.00 -0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 1fgr n VAL 813 Cb 0.22 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 1fgr n VAL 813 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fgr n GLN 814 N -1.37 -2.65 -3.91 7.34 1.13 -0.18 -4.42 117.38 113.32 1fgr n GLN 814 Ca 0.11 0.41 -0.32 0.00 -1.94 0.00 0.00 57.00 55.26 1fgr n GLN 814 Cb 0.28 -4.35 -0.13 0.00 0.11 0.00 0.00 30.24 26.15 1fgr n GLN 814 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1fgr s LEU 815 N -6.84 4.78 0.14 1.08 2.96 -0.73 -4.90 118.68 115.17 1fgr s LEU 815 Ca 0.15 -2.52 -0.35 0.00 -0.22 0.00 0.00 54.13 51.20 1fgr s LEU 815 Cb -0.06 -1.70 -0.15 0.00 0.50 0.00 0.00 46.19 44.78 1fgr s LEU 815 CO 0.88 -0.36 1.51 -2.65 -1.32 0.00 0.00 176.35 174.41 1fgr n PRO 816 N 3.83 1.84 -2.16 0.98 -0.02 -1.26 -4.17 135.00 134.04 1fgr n PRO 816 Ca 0.04 0.66 -0.39 0.00 -2.02 0.00 0.00 63.50 61.79 1fgr n PRO 816 Cb 0.38 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1fgr n PRO 816 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1fgr s TYR 817 N 0.79 1.80 -0.50 6.00 5.04 0.00 -4.75 117.35 125.73 1fgr s TYR 817 Ca 0.81 0.60 0.06 0.00 -2.44 0.00 0.00 57.07 56.09 1fgr s TYR 817 Cb -0.76 -4.21 0.15 0.00 0.35 0.00 0.00 41.96 37.49 1fgr s TYR 817 CO 0.41 -2.26 1.11 0.25 -1.34 0.00 0.00 175.55 173.71 1fgr n THR 818 N 7.02 0.94 0.32 4.34 -2.24 -1.26 -4.72 114.28 118.68 1fgr n THR 818 Ca 0.16 -0.97 0.19 0.00 -2.27 0.00 0.00 64.05 61.17 1fgr n THR 818 Cb 0.51 0.54 1.07 0.00 -2.10 0.00 0.00 70.33 70.35 1fgr n THR 818 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1fgr h LEU 819 N 1.07 0.00 -3.10 3.22 3.38 -1.83 -1.49 115.31 116.57 1fgr h LEU 819 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fgr h LEU 819 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1fgr h LEU 819 CO 0.00 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.72 1fgr n LEU 820 N -3.39 3.89 -4.71 1.67 4.77 -1.26 -4.29 117.00 113.68 1fgr n LEU 820 Ca -0.03 -2.49 -0.42 0.00 -0.03 0.00 0.00 56.01 53.04 1fgr n LEU 820 Cb 0.09 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1fgr n LEU 820 CO 0.23 0.74 1.20 -0.31 -1.33 0.00 0.00 177.39 177.92 1fgr s TYR 821 N -1.90 3.03 0.28 -1.77 1.51 -0.56 -4.90 117.35 113.04 1fgr s TYR 821 Ca 0.39 0.68 -0.03 0.00 -1.01 0.00 0.00 57.07 57.10 1fgr s TYR 821 Cb 0.27 -3.86 0.38 0.00 -0.11 0.00 0.00 41.96 38.63 1fgr s TYR 821 CO 0.16 -3.19 1.88 -1.35 -1.11 0.00 0.00 175.55 171.95 1fgr h PRO 822 N 6.99 1.00 -6.21 -1.71 0.11 -1.89 -1.31 132.00 128.98 1fgr h PRO 822 Ca -0.42 -0.13 -0.47 0.00 0.11 0.00 0.00 66.00 65.08 1fgr h PRO 822 Cb 1.20 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1fgr h PRO 822 CO 0.90 0.77 -0.44 -1.54 -0.21 0.00 0.00 178.00 177.48 1fgr s SER 823 N -6.42 6.01 -0.08 -2.05 1.04 -1.26 -0.93 113.70 110.00 1fgr s SER 823 Ca -0.11 -0.08 -0.30 0.00 0.48 0.00 0.00 55.95 55.94 1fgr s SER 823 Cb 0.17 -1.61 0.11 0.00 0.10 0.00 0.00 66.02 64.79 1fgr s SER 823 CO 0.80 -0.13 0.93 -0.55 0.98 0.00 0.00 173.24 175.27 1fgr s SER 824 N -3.97 -0.38 0.76 7.02 0.15 -1.26 -3.35 113.70 112.67 1fgr s SER 824 Ca 0.36 0.23 -0.04 0.00 0.70 0.00 0.00 55.95 57.20 1fgr s SER 824 Cb -0.09 0.35 0.14 0.00 -1.71 0.00 0.00 66.02 64.71 1fgr s SER 824 CO 0.28 -0.49 1.06 -1.61 1.20 0.00 0.00 173.24 173.68 1fgr s GLU 825 N -2.06 1.52 0.87 5.44 0.41 -1.26 -5.01 118.70 118.60 1fgr s GLU 825 Ca 0.01 -0.91 -0.11 0.00 -0.41 0.00 0.00 54.97 53.55 1fgr s GLU 825 Cb -0.01 -2.23 0.12 0.00 -1.78 0.00 0.00 34.13 30.23 1fgr s GLU 825 CO -0.03 -1.61 1.09 -1.83 -0.49 0.00 0.00 175.26 172.39 1fgr s GLU 826 N -5.29 1.44 0.00 1.61 -1.05 -1.26 -4.86 118.70 109.29 1fgr s GLU 826 Ca 0.67 0.90 0.00 0.00 -0.15 0.00 0.00 54.97 56.39 1fgr s GLU 826 Cb -0.05 -1.82 0.00 0.00 -0.44 0.00 0.00 34.13 31.81 1fgr s GLU 826 CO 0.46 -2.14 0.00 0.41 0.95 0.00 0.00 175.26 174.94 1fgr n GLY 827 N -1.12 -1.26 3.40 -3.83 0.00 -0.08 -4.77 105.19 97.53 1fgr n GLY 827 Ca 0.07 -2.11 -0.45 0.00 0.00 0.00 0.00 46.02 43.54 1fgr n GLY 827 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fgr s LEU 828 N 0.00 5.73 -0.00 0.99 0.20 -1.26 -0.86 118.68 123.48 1fgr s LEU 828 Ca 0.00 -3.26 0.21 0.00 0.69 0.00 0.00 54.13 51.77 1fgr s LEU 828 Cb 0.00 -2.30 -0.21 0.00 -0.43 0.00 0.00 46.19 43.25 1fgr s LEU 828 CO 0.00 -0.52 0.84 0.35 -0.29 0.00 0.00 176.35 176.73 1fgr n THR 829 N 3.68 0.01 -2.05 3.68 -2.24 -1.26 -4.99 114.28 111.10 1fgr n THR 829 Ca 0.29 -0.11 -0.19 0.00 -2.27 0.00 0.00 64.05 61.78 1fgr n THR 829 Cb 0.41 0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 1fgr n THR 829 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1fgr n PHE 830 N -1.67 -0.56 -3.83 4.78 7.35 -1.26 -4.95 117.46 117.32 1fgr n PHE 830 Ca 0.02 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.64 1fgr n PHE 830 Cb 0.38 -3.47 -0.02 0.00 0.35 0.00 0.00 39.48 36.72 1fgr n PHE 830 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1fgr s ARG 831 N -4.43 1.75 0.00 -4.13 1.70 -1.26 -2.93 118.95 109.65 1fgr s ARG 831 Ca 0.00 -0.95 0.00 0.00 -0.47 0.00 0.00 55.73 54.31 1fgr s ARG 831 Cb 0.00 0.61 0.00 0.00 -0.57 0.00 0.00 34.95 34.99 1fgr s ARG 831 CO 0.00 -0.80 0.00 0.41 -1.08 0.00 0.00 175.30 173.83 1fgr n GLY 832 N -0.45 1.44 3.17 3.88 0.00 -0.50 -4.75 105.19 107.97 1fgr n GLY 832 Ca -0.05 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 1fgr n GLY 832 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fgr s ILE 833 N -0.15 3.42 0.81 -0.61 1.01 -0.11 -4.92 121.20 120.65 1fgr s ILE 833 Ca 0.00 -1.75 -0.11 0.00 0.00 0.00 0.00 60.65 58.80 1fgr s ILE 833 Cb 0.00 -3.20 0.08 0.00 0.01 0.00 0.00 42.46 39.35 1fgr s ILE 833 CO 0.00 -0.51 1.09 -2.84 0.00 0.00 0.00 174.94 172.68 1fgr s PRO 834 N 1.23 1.94 0.42 2.79 0.02 -1.26 -0.47 135.00 139.67 1fgr s PRO 834 Ca 0.04 1.07 0.18 0.00 0.02 0.00 0.00 61.00 62.31 1fgr s PRO 834 Cb -0.22 -1.87 0.95 0.00 0.02 0.00 0.00 34.50 33.39 1fgr s PRO 834 CO -0.02 -1.84 1.91 -0.91 -0.33 0.00 0.00 177.00 175.81 1fgr h ASN 835 N -1.27 0.00 -4.78 2.53 2.35 -1.50 -3.39 115.58 109.51 1fgr h ASN 835 Ca -0.45 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 54.82 1fgr h ASN 835 Cb 1.25 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.49 1fgr h ASN 835 CO 0.52 0.27 -0.45 -1.54 -1.65 0.00 0.00 177.43 174.58 1fgr n SER 836 N -3.94 -0.29 -4.47 5.81 3.41 -1.23 -3.70 113.62 109.20 1fgr n SER 836 Ca -0.02 -3.13 -0.43 0.00 -0.26 0.00 0.00 58.87 55.03 1fgr n SER 836 Cb 0.35 1.50 -0.02 0.00 -0.26 0.00 0.00 64.21 65.77 1fgr n SER 836 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1fgr s ILE 837 N -3.26 4.59 -1.71 -1.33 1.01 -1.10 -4.73 121.20 114.66 1fgr s ILE 837 Ca 0.35 -1.47 0.15 0.00 0.00 0.00 0.00 60.65 59.67 1fgr s ILE 837 Cb 0.02 -4.84 0.20 0.00 0.01 0.00 0.00 42.46 37.85 1fgr s ILE 837 CO 0.25 -1.60 1.08 -1.54 0.00 0.00 0.00 174.94 173.13 1fgr n SER 838 N 6.96 2.54 0.00 3.58 3.41 -1.26 -2.99 113.62 125.86 1fgr n SER 838 Ca 0.26 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 1fgr n SER 838 Cb 0.49 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1fgr n SER 838 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88