#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u5c h PRO 19 N 0.00 0.00 -6.01 0.00 0.11 -2.07 -3.44 132.00 120.60 1u5c h PRO 19 Ca 0.00 0.00 -0.80 0.00 0.11 0.00 0.00 66.00 65.31 1u5c h PRO 19 Cb 0.00 0.00 0.05 0.00 0.11 0.00 0.00 31.00 31.16 1u5c h PRO 19 CO 0.00 0.00 0.13 1.17 -0.21 0.00 0.00 178.00 179.09 1u5c n LYS 20 N -2.10 0.02 -2.13 1.05 4.81 -1.26 -4.90 118.16 113.65 1u5c n LYS 20 Ca -0.00 0.01 -0.39 0.00 -0.87 0.00 0.00 58.31 57.06 1u5c n LYS 20 Cb 0.69 -1.51 -0.01 0.00 0.02 0.00 0.00 35.03 34.22 1u5c n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1u5c s ALA 21 N 0.29 3.15 -0.31 3.14 0.00 -1.26 -4.83 121.76 121.95 1u5c s ALA 21 Ca 0.92 1.12 -0.12 0.00 0.00 0.00 0.00 51.96 53.88 1u5c s ALA 21 Cb -1.28 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 18.35 1u5c s ALA 21 CO 0.59 -0.76 0.22 0.21 0.00 0.00 0.00 175.76 176.02 1u5c s LYS 22 N -2.37 3.75 -0.24 0.00 2.20 -1.26 -1.28 119.74 120.54 1u5c s LYS 22 Ca 0.59 -0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 55.72 1u5c s LYS 22 Cb -0.35 -3.73 0.02 0.00 -1.51 0.00 0.00 37.83 32.27 1u5c s LYS 22 CO 0.44 -0.30 -0.06 0.42 -0.36 0.00 0.00 175.35 175.49 1u5c s ILE 23 N 1.76 2.97 -0.15 5.43 1.01 0.84 -0.93 121.20 132.14 1u5c s ILE 23 Ca 0.07 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 1u5c s ILE 23 Cb -0.17 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 1u5c s ILE 23 CO 0.11 0.25 -0.03 -0.69 0.00 0.00 0.00 174.94 174.58 1u5c s VAL 24 N 1.36 3.98 -0.48 2.92 1.01 -0.62 -1.10 120.40 127.47 1u5c s VAL 24 Ca 0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1u5c s VAL 24 Cb -0.16 -2.73 0.12 0.00 0.00 0.00 0.00 36.38 33.60 1u5c s VAL 24 CO -0.04 0.51 0.37 -0.76 0.00 0.00 0.00 175.10 175.18 1u5c s LEU 25 N 0.17 5.76 -1.02 3.92 1.43 0.08 -1.47 118.68 127.55 1u5c s LEU 25 Ca -0.01 -1.83 -0.20 0.00 -1.03 0.00 0.00 54.13 51.06 1u5c s LEU 25 Cb -0.14 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 44.11 1u5c s LEU 25 CO 0.03 -0.72 1.36 -0.69 0.23 0.00 0.00 176.35 176.56 1u5c s VAL 26 N 1.43 4.29 0.00 -1.59 1.01 -0.70 -0.78 120.40 124.06 1u5c s VAL 26 Ca 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1u5c s VAL 26 Cb -0.27 -4.96 0.00 0.00 0.00 0.00 0.00 36.38 31.15 1u5c s VAL 26 CO 0.01 -1.77 0.00 0.61 0.00 0.00 0.00 175.10 173.94 1u5c n GLY 27 N 6.10 3.08 1.84 4.51 0.00 -0.04 -1.56 105.19 119.12 1u5c n GLY 27 Ca 0.31 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 1u5c n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u5c n SER 28 N 0.00 4.09 0.00 1.61 7.64 -1.14 -4.34 113.62 121.48 1u5c n SER 28 Ca 0.00 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.26 1u5c n SER 28 Cb 0.00 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1u5c n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u5c n GLY 29 N -0.75 1.20 0.31 0.23 0.00 -1.26 -4.55 105.19 100.37 1u5c n GLY 29 Ca 0.37 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 1u5c n GLY 29 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1u5c h MET 30 N 0.00 -0.71 -0.58 1.61 2.86 -1.98 1.00 114.93 117.13 1u5c h MET 30 Ca 0.00 0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.78 1u5c h MET 30 Cb 0.00 0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.75 1u5c h MET 30 CO 0.00 -0.44 0.20 0.82 1.06 0.00 0.00 176.91 178.56 1u5c h ILE 31 N -1.14 0.77 -0.85 -1.22 2.04 -1.94 0.53 117.51 115.70 1u5c h ILE 31 Ca -0.08 -0.13 0.22 0.00 1.00 0.00 0.00 64.86 65.87 1u5c h ILE 31 Cb 0.61 0.36 -0.14 0.00 -0.74 0.00 0.00 36.82 36.91 1u5c h ILE 31 CO 0.12 0.07 0.13 1.23 0.00 0.00 0.00 178.15 179.70 1u5c h GLY 32 N 0.38 1.17 1.44 5.37 0.00 -1.71 -1.59 103.07 108.12 1u5c h GLY 32 Ca 0.29 0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.53 1u5c h GLY 32 CO -0.30 -0.36 -0.33 -1.33 0.00 0.00 0.00 176.54 174.23 1u5c h GLY 34 N 0.15 0.69 0.99 4.60 0.00 0.15 -2.43 103.07 107.22 1u5c h GLY 34 Ca 0.51 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 1u5c h GLY 34 CO -0.69 0.58 -0.08 -2.08 0.00 0.00 0.00 176.54 174.27 1u5c h VAL 35 N 0.54 1.27 -0.20 4.60 2.07 -1.14 -1.81 116.25 121.58 1u5c h VAL 35 Ca 0.06 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1u5c h VAL 35 Cb 0.82 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1u5c h VAL 35 CO 0.07 0.39 0.12 0.24 0.02 0.00 0.00 177.57 178.41 1u5c h MET 36 N 0.61 0.27 -0.40 1.57 2.86 -1.17 -0.27 114.93 118.40 1u5c h MET 36 Ca 0.11 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.80 1u5c h MET 36 Cb 0.60 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.12 1u5c h MET 36 CO 0.04 0.22 -0.11 0.00 1.06 0.00 0.00 176.91 178.12 1u5c h ALA 37 N 1.03 0.24 -0.43 6.32 0.00 -1.30 0.19 119.26 125.31 1u5c h ALA 37 Ca 0.07 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.21 1u5c h ALA 37 Cb 0.03 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1u5c h ALA 37 CO -0.01 -0.47 0.02 1.15 0.00 0.00 0.00 179.25 179.94 1u5c h THR 38 N -0.02 0.69 -0.36 0.00 2.02 -0.90 -2.50 112.91 111.84 1u5c h THR 38 Ca 0.19 -0.04 -0.15 0.00 0.77 0.00 0.00 66.41 67.18 1u5c h THR 38 Cb 0.31 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1u5c h THR 38 CO -0.42 0.02 -0.38 -0.07 0.37 0.00 0.00 175.52 175.04 1u5c h LEU 39 N 0.13 0.92 -0.53 2.58 3.38 0.12 -1.96 115.31 119.95 1u5c h LEU 39 Ca 0.21 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1u5c h LEU 39 Cb 0.30 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1u5c h LEU 39 CO -0.34 1.19 0.33 0.40 0.09 0.00 0.00 178.44 180.11 1u5c h ILE 40 N 0.71 1.15 -0.28 1.22 2.04 -0.53 -1.34 117.51 120.48 1u5c h ILE 40 Ca 0.06 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1u5c h ILE 40 Cb 0.96 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1u5c h ILE 40 CO 0.09 0.15 0.10 0.58 0.00 0.00 0.00 178.15 179.07 1u5c h VAL 41 N 0.71 1.19 -1.00 1.67 2.07 -1.42 -0.34 116.25 119.13 1u5c h VAL 41 Ca 0.19 -0.60 0.25 0.00 0.82 0.00 0.00 66.70 67.35 1u5c h VAL 41 Cb -0.04 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 1u5c h VAL 41 CO -0.04 0.20 0.65 1.56 0.02 0.00 0.00 177.57 179.97 1u5c h GLN 42 N 0.29 0.37 -0.34 1.57 1.08 -0.93 -0.87 115.11 116.28 1u5c h GLN 42 Ca 0.09 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1u5c h GLN 42 Cb 0.22 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1u5c h GLN 42 CO -0.00 0.24 0.00 1.63 -0.95 0.00 0.00 178.83 179.75 1u5c n LYS 43 N -4.56 2.89 -4.26 1.46 5.02 -0.54 -4.98 118.16 113.19 1u5c n LYS 43 Ca 0.23 -2.16 -0.37 0.00 -2.02 0.00 0.00 58.31 54.00 1u5c n LYS 43 Cb 0.83 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 34.46 1u5c n LYS 43 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1u5c n ASN 44 N 0.38 -3.02 0.07 4.39 5.15 -0.28 -4.85 115.26 117.11 1u5c n ASN 44 Ca 0.13 -1.04 -0.06 0.00 -0.60 0.00 0.00 54.58 53.01 1u5c n ASN 44 Cb 0.49 -2.61 0.11 0.00 -0.53 0.00 0.00 39.78 37.23 1u5c n ASN 44 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1u5c h LEU 45 N -1.44 0.33 0.00 1.20 4.07 -1.47 -3.49 115.31 114.52 1u5c h LEU 45 Ca -0.59 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.18 1u5c h LEU 45 Cb 1.38 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.03 1u5c h LEU 45 CO 0.79 0.85 0.00 0.61 -1.08 0.00 0.00 178.44 179.61 1u5c n GLY 46 N 0.27 -0.98 3.76 0.83 0.00 -1.26 -4.53 105.19 103.28 1u5c n GLY 46 Ca -0.03 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 1u5c n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u5c s ASP 47 N 0.00 5.53 -0.02 1.61 1.01 -0.41 -4.62 116.67 119.77 1u5c s ASP 47 Ca 0.00 2.29 0.05 0.00 0.71 0.00 0.00 52.55 55.60 1u5c s ASP 47 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 1u5c s ASP 47 CO 0.00 -1.36 -0.17 -0.69 0.21 0.00 0.00 175.17 173.17 1u5c s VAL 49 N -1.66 1.35 -0.23 -1.27 1.01 0.18 -0.11 120.40 119.67 1u5c s VAL 49 Ca 0.74 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1u5c s VAL 49 Cb -0.27 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 34.99 1u5c s VAL 49 CO 0.31 0.39 -0.10 -0.69 0.00 0.00 0.00 175.10 175.00 1u5c s VAL 50 N -0.24 2.63 -0.93 2.92 1.01 -0.26 -1.70 120.40 123.83 1u5c s VAL 50 Ca 0.03 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 1u5c s VAL 50 Cb -0.08 -2.28 0.10 0.00 0.00 0.00 0.00 36.38 34.12 1u5c s VAL 50 CO 0.00 0.30 1.21 -0.76 0.00 0.00 0.00 175.10 175.86 1u5c s LEU 51 N 1.31 4.54 0.13 3.92 1.43 -0.56 -0.74 118.68 128.71 1u5c s LEU 51 Ca 0.01 -1.78 -0.27 0.00 -1.03 0.00 0.00 54.13 51.07 1u5c s LEU 51 Cb -0.16 -2.45 -0.07 0.00 0.03 0.00 0.00 46.19 43.54 1u5c s LEU 51 CO -0.07 -1.23 0.84 0.12 0.23 0.00 0.00 176.35 176.24 1u5c s PHE 52 N 3.48 3.85 0.17 0.29 5.36 0.04 -1.94 117.98 129.22 1u5c s PHE 52 Ca 0.36 1.66 -0.17 0.00 -0.96 0.00 0.00 56.93 57.82 1u5c s PHE 52 Cb -0.04 -2.88 0.03 0.00 -0.34 0.00 0.00 43.02 39.79 1u5c s PHE 52 CO -0.08 0.37 0.48 0.34 -1.46 0.00 0.00 175.22 174.87 1u5c s ASP 53 N -0.58 -0.27 0.25 6.13 -1.08 -0.76 -0.86 116.67 119.50 1u5c s ASP 53 Ca 0.40 -0.40 0.23 0.00 -0.52 0.00 0.00 52.55 52.26 1u5c s ASP 53 Cb -0.23 0.54 0.11 0.00 -1.46 0.00 0.00 42.92 41.88 1u5c s ASP 53 CO 0.27 -0.97 1.19 0.16 0.52 0.00 0.00 175.17 176.34 1u5c h ILE 54 N 2.25 0.00 -2.82 4.11 3.07 -1.93 -3.38 117.51 118.81 1u5c h ILE 54 Ca -0.31 -0.96 -0.53 0.00 1.55 0.00 0.00 64.86 64.61 1u5c h ILE 54 Cb 1.26 1.57 0.02 0.00 -0.27 0.00 0.00 36.82 39.41 1u5c h ILE 54 CO 0.41 0.00 0.89 -0.69 -1.05 0.00 0.00 178.15 177.71 1u5c s VAL 55 N -3.31 3.08 0.34 0.16 1.01 -1.26 -4.95 120.40 115.46 1u5c s VAL 55 Ca 0.02 0.65 -0.27 0.00 0.00 0.00 0.00 61.98 62.38 1u5c s VAL 55 Cb 0.09 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.96 1u5c s VAL 55 CO 0.76 0.02 1.15 -0.54 0.00 0.00 0.00 175.10 176.49 1u5c s LYS 56 N 1.92 4.35 0.00 2.72 -0.14 -1.26 -4.19 119.74 123.14 1u5c s LYS 56 Ca 0.70 1.85 0.00 0.00 -1.36 0.00 0.00 55.97 57.16 1u5c s LYS 56 Cb -0.39 -2.93 0.00 0.00 -1.68 0.00 0.00 37.83 32.83 1u5c s LYS 56 CO 0.31 -0.06 0.00 0.09 -0.76 0.00 0.00 175.35 174.92 1u5c n ASN 57 N 0.62 0.00 -0.32 2.83 3.02 -1.26 -4.73 115.26 115.43 1u5c n ASN 57 Ca 0.01 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1u5c n ASN 57 Cb 0.45 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.66 1u5c n ASN 57 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1u5c n MET 58 N 0.00 -0.18 -0.35 3.52 1.56 -1.26 0.40 117.12 120.81 1u5c n MET 58 Ca 0.00 1.27 0.10 0.00 -0.27 0.00 0.00 57.70 58.80 1u5c n MET 58 Cb 0.00 -1.88 0.28 0.00 2.15 0.00 0.00 33.22 33.76 1u5c n MET 58 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 1u5c h PRO 59 N 0.00 0.81 -0.75 2.12 0.13 -1.85 0.24 132.00 132.71 1u5c h PRO 59 Ca 0.30 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 1u5c h PRO 59 Cb 0.50 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 31.41 1u5c h PRO 59 CO -0.82 0.54 0.48 0.45 -0.23 0.00 0.00 178.00 178.42 1u5c h HIS 60 N 0.84 0.97 0.60 1.56 3.86 -0.34 -0.33 115.15 122.31 1u5c h HIS 60 Ca 0.53 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.73 1u5c h HIS 60 Cb 0.70 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 1u5c h HIS 60 CO -0.02 0.63 -0.36 0.78 0.86 0.00 0.00 177.93 179.82 1u5c h GLY 61 N 1.02 -0.98 0.65 2.45 0.00 -0.13 -1.31 103.07 104.78 1u5c h GLY 61 Ca 0.27 0.40 0.09 0.00 0.00 0.00 0.00 47.33 48.10 1u5c h GLY 61 CO -0.06 -0.35 0.62 0.50 0.00 0.00 0.00 176.54 177.25 1u5c h LYS 62 N -0.91 0.99 -0.63 4.80 1.57 -1.13 -2.44 116.57 118.82 1u5c h LYS 62 Ca -0.07 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 1u5c h LYS 62 Cb 0.73 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1u5c h LYS 62 CO 0.08 0.65 0.04 0.00 -0.57 0.00 0.00 179.45 179.65 1u5c h ALA 63 N 1.52 0.84 0.48 3.86 0.00 -0.92 -0.41 119.26 124.62 1u5c h ALA 63 Ca 0.45 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1u5c h ALA 63 Cb 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u5c h ALA 63 CO -0.20 0.65 -0.24 1.25 0.00 0.00 0.00 179.25 180.71 1u5c h LEU 64 N 0.99 -0.59 -0.99 0.00 5.85 -0.78 0.32 115.31 120.11 1u5c h LEU 64 Ca 0.18 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1u5c h LEU 64 Cb 0.52 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 1u5c h LEU 64 CO 0.02 -0.41 0.64 -0.78 -0.34 0.00 0.00 178.44 177.57 1u5c h ASP 65 N -0.66 1.01 -0.10 1.25 3.58 -1.36 -2.55 116.42 117.59 1u5c h ASP 65 Ca -0.06 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.27 1u5c h ASP 65 Cb 0.52 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 41.37 1u5c h ASP 65 CO 0.09 0.64 -0.44 0.74 -2.88 0.00 0.00 179.24 177.39 1u5c h THR 66 N 1.14 1.38 -1.05 2.25 2.02 -0.73 -3.26 112.91 114.67 1u5c h THR 66 Ca 0.43 -1.78 0.30 0.00 0.77 0.00 0.00 66.41 66.13 1u5c h THR 66 Cb 0.19 2.20 -0.12 0.00 -1.74 0.00 0.00 68.15 68.68 1u5c h THR 66 CO -0.18 0.53 0.64 0.77 0.37 0.00 0.00 175.52 177.65 1u5c h SER 67 N 0.06 0.51 0.33 4.18 4.64 0.08 -0.19 113.55 123.16 1u5c h SER 67 Ca -0.03 0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 1u5c h SER 67 Cb 1.08 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1u5c h SER 67 CO 0.09 -0.01 -0.14 0.45 -0.87 0.00 0.00 176.83 176.35 1u5c h HIS 68 N 0.39 0.00 0.00 4.77 -0.00 -1.59 -2.66 115.15 116.07 1u5c h HIS 68 Ca 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 61.05 1u5c h HIS 68 Cb 1.61 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.02 1u5c h HIS 68 CO -0.01 0.14 0.00 0.25 -0.00 0.00 0.00 177.93 178.32 1u5c n THR 69 N -3.81 1.25 -0.33 2.45 -2.24 -0.08 -2.11 114.28 109.41 1u5c n THR 69 Ca -0.02 0.35 0.06 0.00 -2.27 0.00 0.00 64.05 62.18 1u5c n THR 69 Cb 0.25 -1.22 0.22 0.00 -2.10 0.00 0.00 70.33 67.48 1u5c n THR 69 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1u5c h ASN 70 N 0.00 0.79 0.92 3.42 2.35 -1.64 0.56 115.58 121.97 1u5c h ASN 70 Ca 0.00 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1u5c h ASN 70 Cb 0.18 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.47 1u5c h ASN 70 CO 0.00 0.40 -0.44 0.58 -1.65 0.00 0.00 177.43 176.32 1u5c h VAL 71 N 0.86 0.09 -0.41 2.81 2.07 -1.68 -0.50 116.25 119.50 1u5c h VAL 71 Ca 0.47 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.03 1u5c h VAL 71 Cb 0.51 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1u5c h VAL 71 CO -0.28 0.00 0.27 0.24 0.02 0.00 0.00 177.57 177.82 1u5c h MET 72 N -1.24 0.38 -0.09 1.57 2.86 -1.59 -2.83 114.93 113.99 1u5c h MET 72 Ca -0.13 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1u5c h MET 72 Cb 0.95 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1u5c h MET 72 CO 0.21 0.25 0.00 0.00 1.06 0.00 0.00 176.91 178.43 1u5c n ALA 73 N -2.51 2.54 -3.40 6.32 0.00 0.15 -4.95 120.51 118.67 1u5c n ALA 73 Ca 0.04 -0.50 -0.25 0.00 0.00 0.00 0.00 53.44 52.74 1u5c n ALA 73 Cb 0.18 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.55 1u5c n ALA 73 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1u5c n TYR 73 N 0.29 -2.21 -4.27 0.00 4.02 -0.89 -4.99 117.16 109.12 1u5c n TYR 73 Ca 0.18 0.70 -0.23 0.00 -0.01 0.00 0.00 57.90 58.54 1u5c n TYR 73 Cb 0.35 -4.21 -0.07 0.00 -0.02 0.00 0.00 39.34 35.39 1u5c n TYR 73 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1u5c s SER 74 N -2.96 4.65 -0.41 7.72 0.01 -0.25 -5.06 113.70 117.40 1u5c s SER 74 Ca 0.46 -0.62 0.08 0.00 1.31 0.00 0.00 55.95 57.18 1u5c s SER 74 Cb -0.22 -0.89 0.25 0.00 0.21 0.00 0.00 66.02 65.37 1u5c s SER 74 CO 0.57 -0.02 0.54 -3.20 0.41 0.00 0.00 173.24 171.54 1u5c n ASN 75 N -0.94 0.46 -4.26 2.44 5.15 -1.26 -4.59 115.26 112.26 1u5c n ASN 75 Ca -0.06 -2.75 -0.35 0.00 -0.60 0.00 0.00 54.58 50.82 1u5c n ASN 75 Cb 0.59 -0.64 -0.14 0.00 -0.53 0.00 0.00 39.78 39.05 1u5c n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u5c s LYS 77 N 1.42 4.22 -0.15 0.00 1.02 -1.26 -4.86 119.74 120.13 1u5c s LYS 77 Ca 0.05 2.40 -0.01 0.00 0.02 0.00 0.00 55.97 58.43 1u5c s LYS 77 Cb -0.15 -3.03 0.04 0.00 -0.52 0.00 0.00 37.83 34.17 1u5c s LYS 77 CO -0.05 -0.40 -0.04 0.08 -0.92 0.00 0.00 175.35 174.02 1u5c s VAL 78 N -0.85 0.94 0.23 3.17 1.01 -1.26 0.47 120.40 124.11 1u5c s VAL 78 Ca 0.53 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1u5c s VAL 78 Cb -0.43 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1u5c s VAL 78 CO 0.55 0.13 -0.10 -0.94 0.00 0.00 0.00 175.10 174.74 1u5c s SER 79 N 1.71 2.55 0.56 3.32 1.04 -0.69 -4.64 113.70 117.55 1u5c s SER 79 Ca 0.02 -1.09 0.06 0.00 0.48 0.00 0.00 55.95 55.41 1u5c s SER 79 Cb -0.15 -0.13 0.06 0.00 0.10 0.00 0.00 66.02 65.91 1u5c s SER 79 CO -0.07 -0.26 0.77 -0.83 0.98 0.00 0.00 173.24 173.83 1u5c s GLY 80 N -3.35 1.82 -0.28 7.32 0.00 -1.26 -1.50 107.32 110.06 1u5c s GLY 80 Ca 0.25 -1.78 -0.20 0.00 0.00 0.00 0.00 44.72 43.00 1u5c s GLY 80 CO 0.08 -1.40 0.94 -0.45 0.00 0.00 0.00 173.10 172.27 1u5c s SER 81 N -4.55 -0.56 -0.22 1.64 0.15 -0.82 -4.80 113.70 104.55 1u5c s SER 81 Ca 0.60 0.96 0.13 0.00 0.70 0.00 0.00 55.95 58.34 1u5c s SER 81 Cb -0.08 1.12 0.44 0.00 -1.71 0.00 0.00 66.02 65.80 1u5c s SER 81 CO 0.38 -0.16 1.33 0.59 1.20 0.00 0.00 173.24 176.59 1u5c n ASN 83 N 3.18 2.54 -3.91 5.45 5.03 -1.26 -1.84 115.26 124.46 1u5c n ASN 83 Ca -0.16 -3.51 -0.29 0.00 0.87 0.00 0.00 54.58 51.49 1u5c n ASN 83 Cb 0.57 -0.55 -0.16 0.00 -1.02 0.00 0.00 39.78 38.62 1u5c n ASN 83 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1u5c s THR 84 N -3.09 1.22 0.44 3.41 2.01 -1.26 -4.96 115.64 113.40 1u5c s THR 84 Ca 0.40 -0.72 0.17 0.00 0.31 0.00 0.00 61.69 61.84 1u5c s THR 84 Cb 0.36 -1.38 0.36 0.00 0.01 0.00 0.00 72.50 71.85 1u5c s THR 84 CO 0.01 0.12 1.92 1.88 -0.69 0.00 0.00 174.62 177.86 1u5c h TYR 85 N 8.09 0.44 0.00 4.92 -1.99 -1.96 -0.53 116.97 125.94 1u5c h TYR 85 Ca -0.24 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.50 1u5c h TYR 85 Cb 1.11 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.70 1u5c h TYR 85 CO 0.46 0.16 0.00 -0.25 -0.00 0.00 0.00 178.16 178.53 1u5c n ASP 86 N -4.47 0.00 0.00 3.88 10.43 -1.26 -1.47 116.55 123.66 1u5c n ASP 86 Ca 0.14 0.27 0.05 0.00 2.57 0.00 0.00 54.79 57.83 1u5c n ASP 86 Cb 0.56 -0.40 0.31 0.00 1.84 0.00 0.00 41.12 43.43 1u5c n ASP 86 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1u5c n ASP 87 N -1.40 0.00 0.21 -2.24 8.00 -0.21 -2.14 116.55 118.77 1u5c n ASP 87 Ca 0.06 -0.34 0.13 0.00 0.71 0.00 0.00 54.79 55.35 1u5c n ASP 87 Cb 0.17 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.60 1u5c n ASP 87 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1u5c h LEU 88 N 0.00 0.00 -9.37 0.64 3.38 -1.48 -3.45 115.31 105.03 1u5c h LEU 88 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1u5c h LEU 88 Cb 0.00 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.80 1u5c h LEU 88 CO 0.00 0.00 0.76 0.00 0.09 0.00 0.00 178.44 179.29 1u5c n ALA 89 N -2.03 0.48 -0.89 1.53 0.00 -0.91 -0.91 120.51 117.78 1u5c n ALA 89 Ca 0.04 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1u5c n ALA 89 Cb 0.45 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1u5c n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u5c n GLY 90 N 3.38 0.58 3.72 0.00 0.00 -1.19 -4.99 105.19 106.69 1u5c n GLY 90 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1u5c n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5c n ALA 91 N 1.00 2.33 0.04 4.61 0.00 -0.09 -4.65 120.51 123.75 1u5c n ALA 91 Ca 0.00 0.39 -0.22 0.00 0.00 0.00 0.00 53.44 53.61 1u5c n ALA 91 Cb 0.05 -2.44 -0.14 0.00 0.00 0.00 0.00 19.45 16.91 1u5c n ALA 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1u5c h ASP 92 N 5.22 0.52 -4.42 0.00 5.19 -1.37 -3.38 116.42 118.17 1u5c h ASP 92 Ca -0.46 -0.93 -0.60 0.00 -0.62 0.00 0.00 57.03 54.42 1u5c h ASP 92 Cb 1.23 -0.17 -0.30 0.00 0.18 0.00 0.00 39.33 40.27 1u5c h ASP 92 CO 0.83 1.79 -0.85 -0.69 -3.12 0.00 0.00 179.24 177.20 1u5c s VAL 93 N -2.56 1.61 -0.04 -1.35 1.01 -0.93 -1.03 120.40 117.11 1u5c s VAL 93 Ca -0.19 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1u5c s VAL 93 Cb 0.06 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1u5c s VAL 93 CO 0.81 0.45 -0.14 -0.69 0.00 0.00 0.00 175.10 175.54 1u5c s VAL 94 N -0.48 1.17 -0.19 2.92 1.01 0.08 -1.58 120.40 123.33 1u5c s VAL 94 Ca 0.08 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1u5c s VAL 94 Cb -0.08 -1.03 0.05 0.00 0.00 0.00 0.00 36.38 35.32 1u5c s VAL 94 CO -0.01 0.35 -0.03 -0.63 0.00 0.00 0.00 175.10 174.78 1u5c s ILE 95 N 0.23 1.05 -0.36 2.22 1.01 -0.54 -1.46 121.20 123.34 1u5c s ILE 95 Ca -0.06 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 1u5c s ILE 95 Cb -0.12 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 1u5c s ILE 95 CO 0.02 -0.01 0.25 -0.69 0.00 0.00 0.00 174.94 174.52 1u5c s VAL 96 N 1.64 5.21 -0.19 2.92 1.01 -0.31 -1.72 120.40 128.95 1u5c s VAL 96 Ca -0.01 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1u5c s VAL 96 Cb -0.16 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 1u5c s VAL 96 CO -0.07 -0.11 0.30 0.35 0.00 0.00 0.00 175.10 175.57 1u5c n THR 97 N 5.11 0.00 -1.59 3.92 -2.24 -0.60 -0.31 114.28 118.57 1u5c n THR 97 Ca -0.12 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 60.77 1u5c n THR 97 Cb 0.49 1.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.75 1u5c n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u5c n ALA 98 N -0.53 -0.02 0.00 6.98 0.00 -0.86 -4.63 120.51 121.46 1u5c n ALA 98 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1u5c n ALA 98 Cb 0.04 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1u5c n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u5c n GLY 99 N 1.26 0.98 0.00 0.00 0.00 -1.26 -4.68 105.19 101.49 1u5c n GLY 99 Ca 0.10 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1u5c n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1u5c n PHE 100 N -1.94 0.00 -3.51 1.61 3.01 -1.26 -5.12 117.46 110.24 1u5c n PHE 100 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1u5c n PHE 100 Cb 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 1u5c n PHE 100 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1u5c s THR 101 N 2.70 -0.20 0.38 4.37 -4.23 -1.26 -4.92 115.64 112.48 1u5c s THR 101 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1u5c s THR 101 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1u5c s THR 101 CO 0.00 0.00 0.00 0.54 -0.54 0.00 0.00 174.62 174.62 1u5c n ARG 109 N 4.19 -2.03 0.00 3.99 1.74 -1.26 -5.06 116.66 118.23 1u5c n ARG 109 Ca -0.14 1.66 0.14 0.00 -0.77 0.00 0.00 57.85 58.74 1u5c n ARG 109 Cb 0.55 -2.37 0.84 0.00 -1.02 0.00 0.00 32.46 30.46 1u5c n ARG 109 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1u5c n ASP 110 N -3.44 0.00 0.08 0.55 8.00 -1.26 -3.05 116.55 117.43 1u5c n ASP 110 Ca -0.06 -0.91 -0.08 0.00 0.71 0.00 0.00 54.79 54.45 1u5c n ASP 110 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1u5c n ASP 110 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1u5c h ASP 111 N 0.00 0.26 0.77 -2.24 3.45 -2.02 -3.26 116.42 113.38 1u5c h ASP 111 Ca 0.00 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.26 1u5c h ASP 111 Cb 0.00 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 1u5c h ASP 111 CO 0.00 0.99 0.00 0.18 -1.57 0.00 0.00 179.24 178.84 1u5c n LEU 112 N -3.68 0.00 0.09 1.55 4.77 -1.17 -4.20 117.00 114.36 1u5c n LEU 112 Ca -0.03 0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 56.27 1u5c n LEU 112 Cb 0.79 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 1u5c n LEU 112 CO 0.47 -0.07 0.69 -0.07 -1.33 0.00 0.00 177.39 177.09 1u5c h LEU 113 N 0.00 -0.18 -1.01 2.23 3.38 -1.74 0.21 115.31 118.21 1u5c h LEU 113 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1u5c h LEU 113 Cb 0.39 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1u5c h LEU 113 CO 0.00 0.08 0.00 -2.65 0.09 0.00 0.00 178.44 175.96 1u5c n PRO 114 N -5.08 0.17 -0.09 1.13 -0.02 -1.26 -0.67 135.00 129.17 1u5c n PRO 114 Ca -0.09 0.52 -0.23 0.00 -2.02 0.00 0.00 63.50 61.68 1u5c n PRO 114 Cb 0.19 -1.90 -0.12 0.00 -0.02 0.00 0.00 33.50 31.65 1u5c n PRO 114 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1u5c n LEU 115 N -2.23 1.99 0.22 2.45 7.94 -1.09 -2.26 117.00 124.02 1u5c n LEU 115 Ca 0.01 0.37 0.07 0.00 -1.11 0.00 0.00 56.01 55.35 1u5c n LEU 115 Cb 0.14 -0.97 0.50 0.00 0.53 0.00 0.00 43.42 43.63 1u5c n LEU 115 CO 0.15 0.40 0.83 0.78 -1.11 0.00 0.00 177.39 178.44 1u5c h ASN 116 N -0.84 0.00 -0.60 1.96 2.35 -0.83 -2.54 115.58 115.08 1u5c h ASN 116 Ca -0.41 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.33 1u5c h ASN 116 Cb 1.45 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.79 1u5c h ASN 116 CO -0.20 0.25 0.33 -1.13 -1.65 0.00 0.00 177.43 175.04 1u5c h ASN 117 N 0.00 0.75 0.26 5.81 -1.24 -1.00 -0.91 115.58 119.25 1u5c h ASN 117 Ca -0.00 -0.09 -0.05 0.00 0.71 0.00 0.00 56.30 56.87 1u5c h ASN 117 Cb 0.53 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 1u5c h ASN 117 CO 0.03 0.63 -0.22 0.11 -1.29 0.00 0.00 177.43 176.69 1u5c h LYS 118 N 0.81 0.00 -0.00 6.67 1.57 -1.05 -1.18 116.57 123.39 1u5c h LYS 118 Ca 0.21 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.75 1u5c h LYS 118 Cb 0.04 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.37 1u5c h LYS 118 CO -0.03 0.22 -0.95 0.82 -0.57 0.00 0.00 179.45 178.93 1u5c h ILE 119 N 0.00 1.31 -0.81 1.86 2.04 -1.11 -2.42 117.51 118.38 1u5c h ILE 119 Ca -0.00 -2.20 -0.04 0.00 1.00 0.00 0.00 64.86 63.62 1u5c h ILE 119 Cb 0.41 2.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 1u5c h ILE 119 CO 0.03 0.68 0.37 0.24 0.00 0.00 0.00 178.15 179.46 1u5c h MET 120 N 0.30 1.17 -0.57 2.37 2.86 -0.97 -1.35 114.93 118.75 1u5c h MET 120 Ca -0.12 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1u5c h MET 120 Cb 1.62 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 33.05 1u5c h MET 120 CO 0.19 0.92 0.30 0.82 1.06 0.00 0.00 176.91 180.20 1u5c h ILE 121 N 1.15 1.19 -0.59 -1.22 2.04 -1.23 -0.16 117.51 118.70 1u5c h ILE 121 Ca 0.27 -0.50 -0.10 0.00 1.00 0.00 0.00 64.86 65.53 1u5c h ILE 121 Cb 0.15 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1u5c h ILE 121 CO -0.03 0.21 -0.04 -0.08 0.00 0.00 0.00 178.15 178.21 1u5c h GLU 122 N 0.77 1.06 -0.22 2.37 4.81 -1.24 -2.78 114.58 119.35 1u5c h GLU 122 Ca 0.20 -0.36 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 1u5c h GLU 122 Cb 0.06 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1u5c h GLU 122 CO -0.03 1.06 -0.16 0.82 -0.73 0.00 0.00 179.01 179.97 1u5c h ILE 123 N 0.96 1.32 -1.01 2.32 2.04 -0.92 -2.94 117.51 119.27 1u5c h ILE 123 Ca 0.16 -1.29 0.02 0.00 1.00 0.00 0.00 64.86 64.76 1u5c h ILE 123 Cb 0.61 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1u5c h ILE 123 CO 0.04 0.39 0.67 1.23 0.00 0.00 0.00 178.15 180.48 1u5c h GLY 124 N 0.19 1.44 0.11 5.37 0.00 -1.07 0.54 103.07 109.66 1u5c h GLY 124 Ca 0.04 -0.52 0.10 0.00 0.00 0.00 0.00 47.33 46.95 1u5c h GLY 124 CO 0.04 0.49 -0.02 -1.33 0.00 0.00 0.00 176.54 175.72 1u5c h GLY 125 N 1.33 0.50 1.95 4.60 0.00 -1.39 0.29 103.07 110.35 1u5c h GLY 125 Ca 0.38 0.08 -0.13 0.00 0.00 0.00 0.00 47.33 47.67 1u5c h GLY 125 CO -0.10 -0.16 -0.58 0.45 0.00 0.00 0.00 176.54 176.15 1u5c h HIS 126 N 0.09 0.06 -0.21 5.60 -0.00 -0.98 -2.04 115.15 117.67 1u5c h HIS 126 Ca 0.26 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.55 1u5c h HIS 126 Cb 0.39 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.79 1u5c h HIS 126 CO -0.34 0.62 -0.08 0.82 -0.00 0.00 0.00 177.93 178.95 1u5c h ILE 127 N 0.04 1.30 -0.53 2.45 2.04 -0.37 0.52 117.51 122.95 1u5c h ILE 127 Ca -0.01 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 1u5c h ILE 127 Cb 1.04 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.68 1u5c h ILE 127 CO 0.08 0.34 0.29 0.50 0.00 0.00 0.00 178.15 179.36 1u5c h LYS 128 N 0.15 0.73 0.00 2.37 3.64 -0.86 0.15 116.57 122.75 1u5c h LYS 128 Ca 0.05 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1u5c h LYS 128 Cb 0.56 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1u5c h LYS 128 CO 0.03 0.54 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.52 1u5c h LYS 129 N 0.74 -0.00 0.00 1.90 3.64 -1.26 -3.39 116.57 118.20 1u5c h LYS 129 Ca 0.19 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.29 1u5c h LYS 129 Cb 0.02 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1u5c h LYS 129 CO -0.03 0.84 -2.10 0.09 -2.27 0.00 0.00 179.45 175.97 1u5c n ASN 130 N -4.69 0.25 -2.85 4.20 3.02 0.16 -4.78 115.26 110.58 1u5c n ASN 130 Ca -0.09 0.12 -0.11 0.00 -0.03 0.00 0.00 54.58 54.46 1u5c n ASN 130 Cb 0.41 0.86 0.06 0.00 -0.61 0.00 0.00 39.78 40.49 1u5c n ASN 130 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u5c h PRO 132 N 3.10 0.00 -0.56 0.00 0.13 -1.62 -2.11 132.00 130.94 1u5c h PRO 132 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1u5c h PRO 132 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1u5c h PRO 132 CO 0.24 0.06 0.00 0.09 -0.23 0.00 0.00 178.00 178.15 1u5c n ASN 132 N -3.66 3.08 -4.78 1.44 4.13 -1.26 -4.74 115.26 109.47 1u5c n ASN 132 Ca -0.02 -2.14 -0.36 0.00 1.68 0.00 0.00 54.58 53.74 1u5c n ASN 132 Cb 0.16 -0.40 -0.01 0.00 -1.54 0.00 0.00 39.78 37.99 1u5c n ASN 132 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u5c s ALA 133 N -1.50 2.80 -0.01 5.41 0.00 -0.80 -4.98 121.76 122.68 1u5c s ALA 133 Ca 0.35 0.83 -0.27 0.00 0.00 0.00 0.00 51.96 52.87 1u5c s ALA 133 Cb 0.20 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1u5c s ALA 133 CO 0.21 -0.68 0.84 0.12 0.00 0.00 0.00 175.76 176.26 1u5c s PHE 134 N -1.72 3.64 -0.03 0.00 5.36 -0.20 -4.92 117.98 120.11 1u5c s PHE 134 Ca 0.69 1.50 0.07 0.00 -0.96 0.00 0.00 56.93 58.24 1u5c s PHE 134 Cb -0.24 -2.96 -0.02 0.00 -0.34 0.00 0.00 43.02 39.46 1u5c s PHE 134 CO 0.28 0.07 -0.24 0.42 -1.46 0.00 0.00 175.22 174.29 1u5c s ILE 135 N 0.75 2.19 -0.10 3.12 -1.09 0.01 -0.74 121.20 125.34 1u5c s ILE 135 Ca 0.44 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 1u5c s ILE 135 Cb -0.20 -1.77 0.02 0.00 -1.58 0.00 0.00 42.46 38.93 1u5c s ILE 135 CO 0.24 0.58 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.81 1u5c s ILE 136 N -0.57 1.04 -0.12 2.92 1.01 -0.54 -1.57 121.20 123.38 1u5c s ILE 136 Ca 0.09 -0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 1u5c s ILE 136 Cb -0.11 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 1u5c s ILE 136 CO -0.00 0.36 0.06 -0.69 0.00 0.00 0.00 174.94 174.67 1u5c s VAL 137 N 1.39 4.81 -0.02 2.92 1.01 0.69 -1.16 120.40 130.03 1u5c s VAL 137 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1u5c s VAL 137 Cb -0.14 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1u5c s VAL 137 CO -0.05 0.58 -0.02 0.52 0.00 0.00 0.00 175.10 176.13 1u5c n VAL 138 N 2.42 0.10 -1.41 2.92 0.31 0.58 -0.01 118.33 123.24 1u5c n VAL 138 Ca -0.19 -0.04 -0.55 0.00 -0.01 0.00 0.00 64.34 63.55 1u5c n VAL 138 Cb 0.54 -0.57 -0.07 0.00 -0.91 0.00 0.00 33.84 32.83 1u5c n VAL 138 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1u5c n THR 139 N -2.55 0.09 -3.47 2.52 -1.04 -1.10 -4.57 114.28 104.16 1u5c n THR 139 Ca -0.03 -0.02 -0.29 0.00 -2.04 0.00 0.00 64.05 61.67 1u5c n THR 139 Cb 0.53 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.01 1u5c n THR 139 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1u5c s ASN 140 N -0.04 6.46 -0.00 8.00 0.02 -1.26 -3.02 114.94 125.09 1u5c s ASN 140 Ca 0.85 0.66 -0.30 0.00 -1.02 0.00 0.00 52.86 53.05 1u5c s ASN 140 Cb -1.18 -2.12 -0.03 0.00 0.02 0.00 0.00 41.25 37.94 1u5c s ASN 140 CO 0.54 -0.11 1.00 -2.16 0.02 0.00 0.00 177.10 176.38 1u5c s PRO 141 N -3.29 4.54 0.24 -0.60 0.04 -1.26 -4.96 135.00 129.71 1u5c s PRO 141 Ca 0.43 1.44 -0.00 0.00 0.04 0.00 0.00 61.00 62.91 1u5c s PRO 141 Cb -0.11 -3.46 0.28 0.00 0.04 0.00 0.00 34.50 31.25 1u5c s PRO 141 CO 0.28 -0.08 1.64 -0.24 0.04 0.00 0.00 177.00 178.64 1u5c h VAL 142 N 4.80 1.29 0.00 -0.36 3.04 -1.78 -0.65 116.25 122.59 1u5c h VAL 142 Ca -0.40 -1.44 -0.12 0.00 -1.01 0.00 0.00 66.70 63.73 1u5c h VAL 142 Cb 1.21 1.45 -0.02 0.00 -2.01 0.00 0.00 31.29 31.92 1u5c h VAL 142 CO 0.76 0.46 -0.57 0.44 -1.01 0.00 0.00 177.57 177.65 1u5c h ASP 143 N 0.47 0.00 0.31 3.17 3.32 -1.90 0.62 116.42 122.41 1u5c h ASP 143 Ca 0.05 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1u5c h ASP 143 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1u5c h ASP 143 CO 0.07 0.57 -0.15 0.58 -1.72 0.00 0.00 179.24 178.59 1u5c h VAL 144 N 0.00 0.34 0.00 -1.35 2.07 -1.82 -3.34 116.25 112.15 1u5c h VAL 144 Ca -0.01 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1u5c h VAL 144 Cb 1.03 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1u5c h VAL 144 CO 0.07 0.08 -0.17 0.24 0.02 0.00 0.00 177.57 177.82 1u5c h MET 145 N -1.02 0.00 -0.38 1.57 2.86 -0.94 -2.05 114.93 114.96 1u5c h MET 145 Ca -0.04 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.44 1u5c h MET 145 Cb 0.46 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1u5c h MET 145 CO 0.07 0.17 -0.37 -0.24 1.06 0.00 0.00 176.91 177.60 1u5c h VAL 146 N 0.00 1.27 -0.27 -2.22 3.04 -1.05 -2.54 116.25 114.49 1u5c h VAL 146 Ca -0.00 -1.54 -0.04 0.00 -1.01 0.00 0.00 66.70 64.11 1u5c h VAL 146 Cb 0.31 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 1u5c h VAL 146 CO 0.02 0.51 0.01 -0.61 -1.01 0.00 0.00 177.57 176.49 1u5c h GLN 147 N 0.73 0.47 -0.75 4.17 4.15 -1.53 -0.54 115.11 121.82 1u5c h GLN 147 Ca 0.06 -0.15 0.17 0.00 0.77 0.00 0.00 58.65 59.51 1u5c h GLN 147 Cb 0.96 -0.05 -0.12 0.00 0.21 0.00 0.00 27.48 28.49 1u5c h GLN 147 CO 0.09 0.63 0.13 -0.07 -1.93 0.00 0.00 178.83 177.68 1u5c h LEU 148 N 0.26 -0.09 -0.20 -2.39 3.38 -1.31 -1.68 115.31 113.28 1u5c h LEU 148 Ca 0.08 0.17 -0.22 0.00 0.09 0.00 0.00 57.88 57.99 1u5c h LEU 148 Cb 0.41 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1u5c h LEU 148 CO 0.01 -0.09 -0.90 0.25 0.09 0.00 0.00 178.44 177.80 1u5c h LEU 149 N 0.21 0.58 -0.49 1.67 5.85 -1.35 -2.72 115.31 119.06 1u5c h LEU 149 Ca 0.43 -0.44 0.09 0.00 0.84 0.00 0.00 57.88 58.80 1u5c h LEU 149 Cb 0.76 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 1u5c h LEU 149 CO -0.57 1.23 0.03 -0.74 -0.34 0.00 0.00 178.44 178.06 1u5c h HIS 150 N 0.27 0.03 -0.12 1.25 2.76 -0.40 -0.21 115.15 118.74 1u5c h HIS 150 Ca -0.07 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 57.98 1u5c h HIS 150 Cb 1.53 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.54 1u5c h HIS 150 CO 0.06 -0.08 -0.57 1.96 -1.30 0.00 0.00 177.93 178.00 1u5c h GLN 151 N 0.15 0.37 0.01 5.26 4.20 -1.28 -2.26 115.11 121.56 1u5c h GLN 151 Ca 0.25 -0.24 -0.28 0.00 0.06 0.00 0.00 58.65 58.44 1u5c h GLN 151 Cb 0.36 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 1u5c h GLN 151 CO -0.38 0.84 -1.61 0.45 -0.67 0.00 0.00 178.83 177.46 1u5c h HIS 152 N 0.28 0.03 0.02 2.96 3.86 -1.29 -3.34 115.15 117.67 1u5c h HIS 152 Ca 0.00 -0.03 -0.21 0.00 -1.16 0.00 0.00 60.37 58.97 1u5c h HIS 152 Cb 1.08 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 1u5c h HIS 152 CO 0.03 1.04 -0.95 0.66 0.86 0.00 0.00 177.93 179.58 1u5c h SER 153 N 0.01 0.26 0.00 2.45 4.64 -1.10 -3.36 113.55 116.44 1u5c h SER 153 Ca -0.25 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1u5c h SER 153 Cb 1.98 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 1u5c h SER 153 CO 0.09 1.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.73 1u5c n GLY 154 N 1.03 0.64 3.77 -0.77 0.00 -0.85 -3.94 105.19 105.07 1u5c n GLY 154 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1u5c n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u5c s VAL 155 N -2.29 3.30 0.73 1.61 -7.23 -1.26 -5.01 120.40 110.25 1u5c s VAL 155 Ca 0.00 0.54 -0.15 0.00 -1.81 0.00 0.00 61.98 60.56 1u5c s VAL 155 Cb 0.00 -3.06 0.04 0.00 0.56 0.00 0.00 36.38 33.92 1u5c s VAL 155 CO 0.00 -0.43 1.21 -2.84 -0.31 0.00 0.00 175.10 172.73 1u5c s PRO 156 N -4.35 2.13 0.45 4.82 0.02 -1.26 -4.90 135.00 131.90 1u5c s PRO 156 Ca 0.65 1.78 0.14 0.00 0.02 0.00 0.00 61.00 63.59 1u5c s PRO 156 Cb -0.19 -1.83 1.01 0.00 0.02 0.00 0.00 34.50 33.51 1u5c s PRO 156 CO 0.46 -1.85 2.00 1.57 -0.33 0.00 0.00 177.00 178.85 1u5c h LYS 157 N -0.28 0.02 -0.00 5.54 2.10 -1.94 -0.07 116.57 121.93 1u5c h LYS 157 Ca -0.48 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1u5c h LYS 157 Cb 1.30 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1u5c h LYS 157 CO 0.50 0.18 -0.01 0.27 -2.00 0.00 0.00 179.45 178.39 1u5c n ASN 158 N -4.34 0.16 -1.05 7.07 6.94 -1.26 -3.61 115.26 119.17 1u5c n ASN 158 Ca -0.02 -0.84 0.08 0.00 -0.02 0.00 0.00 54.58 53.77 1u5c n ASN 158 Cb 0.23 -0.06 0.26 0.00 -2.36 0.00 0.00 39.78 37.85 1u5c n ASN 158 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1u5c n LYS 159 N -0.96 3.23 -3.70 -3.83 4.76 -0.04 -0.75 118.16 116.87 1u5c n LYS 159 Ca 0.21 -2.63 -0.11 0.00 -2.87 0.00 0.00 58.31 52.91 1u5c n LYS 159 Cb 0.17 -1.70 -0.11 0.00 -1.84 0.00 0.00 35.03 31.54 1u5c n LYS 159 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1u5c s ILE 160 N -2.01 -0.03 0.13 -0.18 2.07 -1.24 -0.81 121.20 119.15 1u5c s ILE 160 Ca 0.39 0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.74 1u5c s ILE 160 Cb 0.27 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 42.26 1u5c s ILE 160 CO 0.16 0.04 0.00 0.27 -1.91 0.00 0.00 174.94 173.49 1u5c s ILE 161 N 1.28 0.46 -0.03 2.00 -4.36 -0.61 -4.77 121.20 115.17 1u5c s ILE 161 Ca -0.09 -1.93 0.02 0.00 -0.26 0.00 0.00 60.65 58.40 1u5c s ILE 161 Cb -0.08 -1.94 -0.03 0.00 1.25 0.00 0.00 42.46 41.66 1u5c s ILE 161 CO -0.11 -0.62 -0.09 -0.83 0.24 0.00 0.00 174.94 173.54 1u5c s GLY 162 N -3.08 1.68 0.35 6.27 0.00 -0.59 -0.22 107.32 111.72 1u5c s GLY 162 Ca 0.19 -0.97 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 1u5c s GLY 162 CO -0.00 -0.78 1.51 -2.27 0.00 0.00 0.00 173.10 171.55 1u5c s LEU 163 N -1.04 4.33 0.00 0.66 2.96 0.99 -1.77 118.68 124.80 1u5c s LEU 163 Ca 0.14 3.01 0.00 0.00 -0.22 0.00 0.00 54.13 57.06 1u5c s LEU 163 Cb -0.11 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1u5c s LEU 163 CO 0.04 -0.87 0.00 0.61 -1.32 0.00 0.00 176.35 174.81 1u5c n GLY 164 N 0.95 -2.26 0.27 7.98 0.00 -1.26 -4.81 105.19 106.06 1u5c n GLY 164 Ca 0.03 0.74 0.05 0.00 0.00 0.00 0.00 46.02 46.84 1u5c n GLY 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u5c h GLY 165 N 0.00 1.11 0.96 -0.02 0.00 -1.78 -2.12 103.07 101.22 1u5c h GLY 165 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1u5c h GLY 165 CO 0.00 -0.09 0.21 -2.08 0.00 0.00 0.00 176.54 174.58 1u5c h VAL 166 N 0.43 1.18 0.76 4.60 2.07 -1.77 0.10 116.25 123.62 1u5c h VAL 166 Ca 0.40 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1u5c h VAL 166 Cb 0.61 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1u5c h VAL 166 CO -0.40 0.19 -0.37 0.25 0.02 0.00 0.00 177.57 177.26 1u5c h LEU 167 N 0.55 -0.87 -0.80 2.57 5.85 -1.75 -2.32 115.31 118.55 1u5c h LEU 167 Ca 0.15 0.02 0.19 0.00 0.84 0.00 0.00 57.88 59.08 1u5c h LEU 167 Cb 0.11 0.22 -0.13 0.00 0.37 0.00 0.00 40.66 41.23 1u5c h LEU 167 CO -0.02 -0.50 0.15 0.44 -0.34 0.00 0.00 178.44 178.16 1u5c h ASP 168 N -1.25 -0.10 0.29 1.25 3.45 -1.38 -2.02 116.42 116.66 1u5c h ASP 168 Ca -0.10 0.18 -0.14 0.00 0.43 0.00 0.00 57.03 57.40 1u5c h ASP 168 Cb 0.79 0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.82 1u5c h ASP 168 CO 0.17 -0.12 -0.55 0.71 -1.57 0.00 0.00 179.24 177.88 1u5c h THR 169 N 0.20 1.36 -0.70 0.35 1.35 -0.97 -2.67 112.91 111.83 1u5c h THR 169 Ca 0.47 -1.86 0.15 0.00 -0.55 0.00 0.00 66.41 64.62 1u5c h THR 169 Cb 0.86 1.90 -0.04 0.00 -1.73 0.00 0.00 68.15 69.14 1u5c h THR 169 CO -0.61 0.55 0.48 0.77 -0.25 0.00 0.00 175.52 176.46 1u5c h SER 170 N 0.21 0.27 -0.02 5.36 4.64 -0.78 1.13 113.55 124.37 1u5c h SER 170 Ca 0.00 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 1u5c h SER 170 Cb 1.04 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1u5c h SER 170 CO 0.09 0.14 -0.23 0.03 -0.87 0.00 0.00 176.83 175.98 1u5c h ARG 171 N 0.29 0.19 0.08 4.77 3.08 -1.32 -1.35 114.38 120.12 1u5c h ARG 171 Ca 0.34 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1u5c h ARG 171 Cb 0.93 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1u5c h ARG 171 CO -0.08 0.88 -0.09 1.25 -1.07 0.00 0.00 179.97 180.86 1u5c h LEU 172 N -0.43 -0.23 -0.47 3.04 5.85 -1.06 -1.54 115.31 120.47 1u5c h LEU 172 Ca -0.02 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1u5c h LEU 172 Cb 0.95 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 1u5c h LEU 172 CO 0.05 -0.13 0.14 0.11 -0.34 0.00 0.00 178.44 178.26 1u5c h LYS 173 N -0.19 0.29 0.36 1.25 1.57 0.12 -2.88 116.57 117.10 1u5c h LYS 173 Ca 0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1u5c h LYS 173 Cb 0.19 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1u5c h LYS 173 CO -0.03 0.19 -0.17 -0.92 -0.57 0.00 0.00 179.45 177.95 1u5c h TYR 174 N 0.29 -0.45 -0.53 -1.35 3.20 -0.95 -2.11 116.97 115.08 1u5c h TYR 174 Ca 0.23 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.19 1u5c h TYR 174 Cb 0.26 0.15 -0.09 0.00 1.54 0.00 0.00 36.73 38.59 1u5c h TYR 174 CO -0.18 -0.15 -0.07 1.88 -1.64 0.00 0.00 178.16 177.99 1u5c h TYR 175 N -0.73 -0.17 -0.61 -3.82 0.99 -1.25 0.22 116.97 111.61 1u5c h TYR 175 Ca -0.05 0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.73 1u5c h TYR 175 Cb 0.50 0.16 -0.03 0.00 1.00 0.00 0.00 36.73 38.36 1u5c h TYR 175 CO 0.00 -0.18 0.40 0.82 -0.00 0.00 0.00 178.16 179.20 1u5c h ILE 176 N 0.05 1.15 0.00 -2.88 2.04 -1.45 -2.50 117.51 113.92 1u5c h ILE 176 Ca 0.26 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 1u5c h ILE 176 Cb 0.40 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1u5c h ILE 176 CO -0.50 0.15 -0.42 0.77 0.00 0.00 0.00 178.15 178.15 1u5c h SER 177 N 0.81 0.00 1.34 1.72 4.64 0.12 -1.89 113.55 120.30 1u5c h SER 177 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1u5c h SER 177 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1u5c h SER 177 CO -0.05 0.42 -0.33 1.56 -0.87 0.00 0.00 176.83 177.55 1u5c h GLN 178 N 0.00 0.00 0.14 4.77 1.08 -0.90 -0.20 115.11 120.00 1u5c h GLN 178 Ca -0.00 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.88 1u5c h GLN 178 Cb 0.76 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1u5c h GLN 178 CO 0.05 0.00 -1.56 -0.22 -0.95 0.00 0.00 178.83 176.15 1u5c h LYS 179 N 0.00 0.29 -0.02 1.46 1.63 -1.23 -3.36 116.57 115.35 1u5c h LYS 179 Ca 0.00 -0.50 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1u5c h LYS 179 Cb 0.83 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1u5c h LYS 179 CO 0.00 1.17 -0.12 1.28 -3.45 0.00 0.00 179.45 178.33 1u5c n LEU 180 N -3.49 1.75 -3.89 5.20 4.77 -0.77 -4.96 117.00 115.62 1u5c n LEU 180 Ca -0.18 -0.57 -0.28 0.00 -0.03 0.00 0.00 56.01 54.95 1u5c n LEU 180 Cb 1.05 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1u5c n LEU 180 CO 0.51 0.30 -0.19 0.59 -1.33 0.00 0.00 177.39 177.27 1u5c n ASN 181 N 0.18 -1.80 -4.32 -1.43 3.02 -0.18 -5.01 115.26 105.73 1u5c n ASN 181 Ca 0.15 -1.02 -0.17 0.00 -0.03 0.00 0.00 54.58 53.50 1u5c n ASN 181 Cb 0.42 -3.07 -0.10 0.00 -0.61 0.00 0.00 39.78 36.42 1u5c n ASN 181 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1u5c s VAL 182 N -3.81 1.55 0.03 2.41 -7.23 -0.65 -5.05 120.40 107.65 1u5c s VAL 182 Ca 0.15 -2.16 -0.37 0.00 -1.81 0.00 0.00 61.98 57.79 1u5c s VAL 182 Cb -0.06 -2.01 -0.16 0.00 0.56 0.00 0.00 36.38 34.70 1u5c s VAL 182 CO 0.89 -0.62 1.43 0.00 -0.31 0.00 0.00 175.10 176.49 1u5c h PRO 184 N 5.18 0.57 0.00 0.00 0.11 -1.91 -1.04 132.00 134.92 1u5c h PRO 184 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1u5c h PRO 184 Cb 1.32 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1u5c h PRO 184 CO 0.82 0.38 0.00 -0.09 -0.21 0.00 0.00 178.00 178.90 1u5c h ARG 185 N 0.59 0.00 -0.00 1.05 9.65 -1.93 -2.19 114.38 121.54 1u5c h ARG 185 Ca 0.56 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.44 1u5c h ARG 185 Cb 0.95 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 1u5c h ARG 185 CO -0.44 0.00 -0.07 -0.25 2.80 0.00 0.00 179.97 182.02 1u5c n ASP 186 N -2.61 0.14 -4.69 -3.80 8.00 -0.39 -4.55 116.55 108.65 1u5c n ASP 186 Ca 0.01 -0.03 -0.40 0.00 0.71 0.00 0.00 54.79 55.09 1u5c n ASP 186 Cb 0.25 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 1u5c n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u5c s VAL 187 N -2.73 5.04 0.06 2.53 1.01 -0.83 -4.22 120.40 121.26 1u5c s VAL 187 Ca 0.22 1.28 0.06 0.00 0.00 0.00 0.00 61.98 63.55 1u5c s VAL 187 Cb 0.20 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1u5c s VAL 187 CO 0.51 0.18 -0.11 0.21 0.00 0.00 0.00 175.10 175.89 1u5c s ASN 188 N 0.98 4.34 0.23 3.32 3.84 -0.67 -4.87 114.94 122.12 1u5c s ASN 188 Ca 0.32 -0.33 -0.15 0.00 0.21 0.00 0.00 52.86 52.92 1u5c s ASN 188 Cb -0.16 -0.86 0.01 0.00 -0.55 0.00 0.00 41.25 39.69 1u5c s ASN 188 CO 0.13 0.22 0.50 0.00 -2.79 0.00 0.00 177.10 175.16 1u5c s ALA 189 N -1.10 -0.55 -0.03 1.71 0.00 -1.26 -1.04 121.76 119.49 1u5c s ALA 189 Ca 0.19 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1u5c s ALA 189 Cb -0.11 0.95 0.03 0.00 0.00 0.00 0.00 23.12 23.99 1u5c s ALA 189 CO 0.10 -0.84 0.03 -1.01 0.00 0.00 0.00 175.76 174.04 1u5c s HIS 190 N -3.96 0.20 -0.08 0.00 3.76 -1.26 -4.98 115.29 108.97 1u5c s HIS 190 Ca 0.16 0.09 0.04 0.00 -0.15 0.00 0.00 55.06 55.20 1u5c s HIS 190 Cb -0.01 -0.43 0.00 0.00 1.11 0.00 0.00 32.58 33.25 1u5c s HIS 190 CO 0.04 -0.16 -0.20 0.42 -0.85 0.00 0.00 174.74 173.99 1u5c s ILE 191 N 1.48 1.75 0.37 0.60 1.01 -1.26 -2.35 121.20 122.80 1u5c s ILE 191 Ca -0.04 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.82 1u5c s ILE 191 Cb -0.13 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 1u5c s ILE 191 CO -0.03 0.49 0.17 0.68 0.00 0.00 0.00 174.94 176.25 1u5c s VAL 192 N 0.38 0.39 0.00 2.92 -7.23 -0.56 -4.73 120.40 111.57 1u5c s VAL 192 Ca -0.16 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 1u5c s VAL 192 Cb -0.17 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1u5c s VAL 192 CO 0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1u5c n GLY 193 N -0.77 1.98 3.12 2.32 0.00 -0.50 -1.32 105.19 110.03 1u5c n GLY 193 Ca -0.01 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 1u5c n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5c s ALA 194 N 0.00 0.12 0.86 4.61 0.00 -1.26 -2.05 121.76 124.05 1u5c s ALA 194 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.03 1u5c s ALA 194 Cb 0.00 0.31 0.11 0.00 0.00 0.00 0.00 23.12 23.54 1u5c s ALA 194 CO 0.00 -0.37 1.12 -1.58 0.00 0.00 0.00 175.76 174.93 1u5c s HIS 195 N -3.31 2.65 0.00 0.00 2.46 -1.26 -3.93 115.29 111.89 1u5c s HIS 195 Ca 0.01 0.96 0.00 0.00 0.47 0.00 0.00 55.06 56.51 1u5c s HIS 195 Cb 0.03 -3.29 0.00 0.00 -0.13 0.00 0.00 32.58 29.19 1u5c s HIS 195 CO -0.08 -2.12 0.00 0.41 -2.47 0.00 0.00 174.74 170.48 1u5c n GLY 196 N -2.19 -2.66 0.39 1.59 0.00 -1.26 -4.42 105.19 96.64 1u5c n GLY 196 Ca 0.07 -1.71 0.21 0.00 0.00 0.00 0.00 46.02 44.59 1u5c n GLY 196 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1u5c h ASN 197 N 0.00 0.00 -0.51 1.61 2.35 -1.93 -1.28 115.58 115.82 1u5c h ASN 197 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u5c h ASN 197 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1u5c h ASN 197 CO 0.00 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.07 1u5c n LYS 198 N -3.82 2.23 -1.67 0.81 4.76 -1.26 -4.93 118.16 114.28 1u5c n LYS 198 Ca 0.08 -1.90 -0.39 0.00 -2.87 0.00 0.00 58.31 53.23 1u5c n LYS 198 Cb 0.64 -1.42 0.04 0.00 -1.84 0.00 0.00 35.03 32.45 1u5c n LYS 198 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u5c n MET 199 N 1.05 1.34 -3.77 1.97 0.00 -0.49 -4.42 117.12 112.81 1u5c n MET 199 Ca 0.18 0.50 -0.37 0.00 0.00 0.00 0.00 57.70 58.00 1u5c n MET 199 Cb 0.45 -2.33 -0.13 0.00 0.00 0.00 0.00 33.22 31.22 1u5c n MET 199 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1u5c s VAL 200 N -1.37 3.78 -0.22 3.17 1.01 -0.44 -4.95 120.40 121.39 1u5c s VAL 200 Ca 0.72 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 1u5c s VAL 200 Cb -0.44 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1u5c s VAL 200 CO 0.50 -0.04 0.71 -0.76 0.00 0.00 0.00 175.10 175.51 1u5c s LEU 201 N 1.44 4.11 -0.72 3.92 1.02 -1.26 -1.49 118.68 125.68 1u5c s LEU 201 Ca 0.00 0.90 -0.15 0.00 0.02 0.00 0.00 54.13 54.89 1u5c s LEU 201 Cb -0.18 -3.00 0.17 0.00 0.02 0.00 0.00 46.19 43.20 1u5c s LEU 201 CO 0.02 -0.38 0.71 -0.76 0.02 0.00 0.00 176.35 175.96 1u5c s LEU 202 N 2.36 6.32 0.52 1.79 1.43 -0.99 -4.88 118.68 125.23 1u5c s LEU 202 Ca 0.31 -2.24 0.28 0.00 -1.03 0.00 0.00 54.13 51.45 1u5c s LEU 202 Cb -0.16 -2.23 1.42 0.00 0.03 0.00 0.00 46.19 45.25 1u5c s LEU 202 CO 0.09 -0.75 1.91 0.50 0.23 0.00 0.00 176.35 178.33 1u5c h LYS 203 N 8.34 0.05 0.00 1.70 3.64 -1.95 -2.53 116.57 125.82 1u5c h LYS 203 Ca -0.05 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 1u5c h LYS 203 Cb 1.06 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1u5c h LYS 203 CO 0.90 0.03 -0.40 -0.09 -2.27 0.00 0.00 179.45 177.62 1u5c h ARG 204 N 0.05 0.00 -0.71 1.90 2.43 -1.97 -3.24 114.38 112.84 1u5c h ARG 204 Ca 0.39 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.29 1u5c h ARG 204 Cb 1.48 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.86 1u5c h ARG 204 CO -0.02 0.40 0.30 0.66 -1.51 0.00 0.00 179.97 179.79 1u5c n TYR 205 N -3.60 2.30 -3.68 2.20 4.02 -0.95 -4.94 117.16 112.50 1u5c n TYR 205 Ca -0.00 -1.41 -0.36 0.00 -0.01 0.00 0.00 57.90 56.12 1u5c n TYR 205 Cb 0.51 -0.70 -0.07 0.00 -0.02 0.00 0.00 39.34 39.06 1u5c n TYR 205 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1u5c s ILE 206 N -3.10 5.38 0.17 -0.72 1.01 -1.23 -4.14 121.20 118.57 1u5c s ILE 206 Ca 0.53 0.31 0.04 0.00 0.00 0.00 0.00 60.65 61.54 1u5c s ILE 206 Cb 0.44 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 1u5c s ILE 206 CO 0.10 0.45 -0.07 0.42 0.00 0.00 0.00 174.94 175.84 1u5c s THR 207 N 0.22 1.11 -0.31 2.92 -4.23 -0.20 -2.08 115.64 113.06 1u5c s THR 207 Ca 0.12 -2.05 0.15 0.00 -1.18 0.00 0.00 61.69 58.73 1u5c s THR 207 Cb -0.12 -2.00 0.47 0.00 1.34 0.00 0.00 72.50 72.19 1u5c s THR 207 CO 0.01 -0.61 1.09 0.52 -0.54 0.00 0.00 174.62 175.09 1u5c n VAL 208 N -0.26 1.69 0.00 2.29 0.31 -1.26 -1.67 118.33 119.43 1u5c n VAL 208 Ca -0.09 -3.60 0.00 0.00 -0.01 0.00 0.00 64.34 60.65 1u5c n VAL 208 Cb 0.62 0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.69 1u5c n VAL 208 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u5c n GLY 209 N -0.48 0.00 3.81 2.92 0.00 -1.26 -4.73 105.19 105.44 1u5c n GLY 209 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1u5c n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u5c s ILE 209 N 0.00 5.15 0.27 -0.61 1.01 -1.26 -5.04 121.20 120.72 1u5c s ILE 209 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 1u5c s ILE 209 Cb 0.00 -3.23 -0.13 0.00 0.01 0.00 0.00 42.46 39.11 1u5c s ILE 209 CO 0.00 0.60 1.45 -2.65 0.00 0.00 0.00 174.94 174.34 1u5c n PRO 209 N 2.18 2.27 0.01 2.79 -0.02 -1.26 -4.27 135.00 136.70 1u5c n PRO 209 Ca -0.19 0.81 0.09 0.00 -2.02 0.00 0.00 63.50 62.18 1u5c n PRO 209 Cb 0.54 -2.49 0.51 0.00 -0.02 0.00 0.00 33.50 32.05 1u5c n PRO 209 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1u5c h LEU 210 N 4.11 0.31 -0.78 2.45 5.85 -1.75 -1.98 115.31 123.54 1u5c h LEU 210 Ca -0.46 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.37 1u5c h LEU 210 Cb 1.26 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 1u5c h LEU 210 CO 0.75 0.21 0.40 -0.61 -0.34 0.00 0.00 178.44 178.84 1u5c h GLN 210 N 0.36 0.63 -0.94 1.25 5.75 -1.90 -0.52 115.11 119.73 1u5c h GLN 210 Ca 0.19 -0.04 0.18 0.00 -0.15 0.00 0.00 58.65 58.83 1u5c h GLN 210 Cb 0.28 -0.14 -0.08 0.00 1.07 0.00 0.00 27.48 28.61 1u5c h GLN 210 CO -0.04 0.42 0.60 0.93 -2.65 0.00 0.00 178.83 178.08 1u5c h GLU 211 N 0.65 0.59 0.00 1.69 5.08 -1.73 0.11 114.58 120.97 1u5c h GLU 211 Ca 0.39 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.55 1u5c h GLU 211 Cb 0.45 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1u5c h GLU 211 CO -0.29 0.39 -0.80 0.74 -1.00 0.00 0.00 179.01 178.05 1u5c h PHE 212 N 0.61 0.00 -0.05 4.33 -1.00 -1.25 -2.76 116.94 116.82 1u5c h PHE 212 Ca 0.50 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.28 1u5c h PHE 212 Cb 0.96 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.52 1u5c h PHE 212 CO -0.00 0.80 0.01 0.82 -1.61 0.00 0.00 178.31 178.33 1u5c h ILE 213 N 0.00 1.17 -0.78 -0.55 2.04 -0.15 -1.37 117.51 117.86 1u5c h ILE 213 Ca -0.01 -0.50 0.16 0.00 1.00 0.00 0.00 64.86 65.52 1u5c h ILE 213 Cb 1.54 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.99 1u5c h ILE 213 CO 0.10 0.14 0.52 0.78 0.00 0.00 0.00 178.15 179.70 1u5c h ASN 214 N -0.12 0.38 -0.07 1.72 2.35 -1.04 -1.11 115.58 117.68 1u5c h ASN 214 Ca 0.01 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1u5c h ASN 214 Cb 0.21 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1u5c h ASN 214 CO -0.00 0.18 0.00 0.59 -1.65 0.00 0.00 177.43 176.55 1u5c n ASN 215 N -4.48 0.91 -0.90 5.81 3.02 -1.05 -4.91 115.26 113.67 1u5c n ASN 215 Ca 0.15 -1.50 -0.12 0.00 -0.03 0.00 0.00 54.58 53.09 1u5c n ASN 215 Cb 0.58 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.65 1u5c n ASN 215 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1u5c n LYS 216 N -0.21 -1.19 0.10 3.52 4.76 -0.42 -4.84 118.16 119.87 1u5c n LYS 216 Ca 0.17 0.88 -0.05 0.00 -2.87 0.00 0.00 58.31 56.44 1u5c n LYS 216 Cb 0.22 -5.04 0.06 0.00 -1.84 0.00 0.00 35.03 28.43 1u5c n LYS 216 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1u5c h LEU 218 N 0.00 0.15 -7.53 -0.35 3.38 -1.48 -3.44 115.31 106.05 1u5c h LEU 218 Ca -0.24 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.40 1u5c h LEU 218 Cb 0.95 -0.05 -0.29 0.00 0.09 0.00 0.00 40.66 41.37 1u5c h LEU 218 CO 0.35 0.85 -0.60 -0.51 0.09 0.00 0.00 178.44 178.63 1u5c s ILE 219 N -3.39 -0.02 0.42 1.22 2.07 -1.11 -4.91 121.20 115.48 1u5c s ILE 219 Ca -0.02 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 1u5c s ILE 219 Cb 0.11 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.49 1u5c s ILE 219 CO 0.80 0.04 0.64 -0.94 -1.91 0.00 0.00 174.94 173.57 1u5c s SER 220 N 0.58 5.99 0.25 4.50 1.04 -1.26 -3.80 113.70 121.00 1u5c s SER 220 Ca -0.04 0.37 -0.03 0.00 0.48 0.00 0.00 55.95 56.73 1u5c s SER 220 Cb -0.06 -1.72 0.30 0.00 0.10 0.00 0.00 66.02 64.64 1u5c s SER 220 CO -0.03 -0.58 1.73 0.44 0.98 0.00 0.00 173.24 175.79 1u5c h ASP 221 N 0.49 0.78 -0.73 7.02 3.32 -1.99 -0.49 116.42 124.82 1u5c h ASP 221 Ca -0.47 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.31 1u5c h ASP 221 Cb 1.24 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 1u5c h ASP 221 CO 0.59 0.87 0.20 0.00 -1.72 0.00 0.00 179.24 179.17 1u5c h ALA 222 N 1.22 0.96 0.17 3.45 0.00 -1.99 -0.52 119.26 122.55 1u5c h ALA 222 Ca 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1u5c h ALA 222 Cb 0.50 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1u5c h ALA 222 CO 0.03 0.67 -0.11 0.93 0.00 0.00 0.00 179.25 180.77 1u5c h GLU 223 N 1.10 -0.27 0.00 0.00 5.08 -1.92 -2.30 114.58 116.27 1u5c h GLU 223 Ca 0.23 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 1u5c h GLU 223 Cb 0.35 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1u5c h GLU 223 CO -0.00 -0.18 -0.25 1.25 -1.00 0.00 0.00 179.01 178.83 1u5c h LEU 225 N -0.28 0.00 -0.71 1.33 5.85 -0.56 -1.00 115.31 119.93 1u5c h LEU 225 Ca -0.01 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 1u5c h LEU 225 Cb 0.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1u5c h LEU 225 CO 0.01 0.25 -0.34 -0.08 -0.34 0.00 0.00 178.44 177.94 1u5c h GLU 226 N 0.00 0.60 -0.63 1.25 4.81 -1.05 -0.41 114.58 119.14 1u5c h GLU 226 Ca -0.00 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 1u5c h GLU 226 Cb 0.45 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1u5c h GLU 226 CO 0.03 0.86 0.25 0.00 -0.73 0.00 0.00 179.01 179.43 1u5c h ALA 227 N 1.12 0.82 -0.53 2.92 0.00 -0.76 -2.40 119.26 120.42 1u5c h ALA 227 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1u5c h ALA 227 Cb 0.83 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1u5c h ALA 227 CO 0.07 0.43 0.29 0.82 0.00 0.00 0.00 179.25 180.86 1u5c h ILE 228 N 0.88 1.18 -0.29 0.00 2.04 -0.94 -0.66 117.51 119.73 1u5c h ILE 228 Ca 0.21 -0.46 0.05 0.00 1.00 0.00 0.00 64.86 65.66 1u5c h ILE 228 Cb 0.20 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1u5c h ILE 228 CO -0.02 0.19 0.01 -0.26 0.00 0.00 0.00 178.15 178.07 1u5c h PHE 229 N 0.70 0.00 -0.44 1.37 -1.00 -0.96 0.19 116.94 116.80 1u5c h PHE 229 Ca 0.19 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.89 1u5c h PHE 229 Cb 0.05 0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 1u5c h PHE 229 CO -0.02 -0.04 -0.10 -0.44 -1.61 0.00 0.00 178.31 176.10 1u5c h ASP 230 N 0.10 0.78 -0.51 2.17 3.32 -1.31 -1.04 116.42 119.93 1u5c h ASP 230 Ca 0.14 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 57.00 1u5c h ASP 230 Cb 0.17 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1u5c h ASP 230 CO -0.22 0.91 0.26 -0.09 -1.72 0.00 0.00 179.24 178.38 1u5c h ARG 231 N 0.72 0.50 -0.15 3.56 2.43 -0.67 -1.11 114.38 119.66 1u5c h ARG 231 Ca 0.12 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1u5c h ARG 231 Cb 0.59 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1u5c h ARG 231 CO 0.04 0.33 0.09 1.15 -1.51 0.00 0.00 179.97 180.07 1u5c h THR 232 N 0.51 1.07 -0.27 0.20 2.02 -0.22 -1.21 112.91 115.01 1u5c h THR 232 Ca 0.22 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 1u5c h THR 232 Cb 0.13 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1u5c h THR 232 CO -0.15 0.06 -0.08 0.58 0.37 0.00 0.00 175.52 176.30 1u5c h VAL 233 N 0.17 1.20 -0.69 3.16 2.07 -1.00 -3.10 116.25 118.06 1u5c h VAL 233 Ca 0.05 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1u5c h VAL 233 Cb 0.02 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1u5c h VAL 233 CO -0.01 0.28 0.00 0.59 0.02 0.00 0.00 177.57 178.45 1u5c n ASN 234 N -4.25 4.59 -0.02 0.57 3.02 -0.44 -4.65 115.26 114.08 1u5c n ASN 234 Ca 0.01 -2.31 -0.11 0.00 -0.03 0.00 0.00 54.58 52.13 1u5c n ASN 234 Cb 0.28 -0.56 -0.05 0.00 -0.61 0.00 0.00 39.78 38.83 1u5c n ASN 234 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1u5c h THR 235 N 4.25 1.09 -0.89 3.41 2.02 -1.15 0.79 112.91 122.43 1u5c h THR 235 Ca 0.00 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1u5c h THR 235 Cb 1.33 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.72 1u5c h THR 235 CO 0.17 0.08 0.52 0.00 0.37 0.00 0.00 175.52 176.66 1u5c h ALA 236 N 0.97 1.14 -0.51 6.16 0.00 -1.85 0.13 119.26 125.30 1u5c h ALA 236 Ca 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1u5c h ALA 236 Cb 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1u5c h ALA 236 CO -0.01 0.62 0.15 1.25 0.00 0.00 0.00 179.25 181.26 1u5c h LEU 237 N 1.23 0.75 -1.09 0.00 5.85 -1.81 -1.21 115.31 119.04 1u5c h LEU 237 Ca 0.32 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1u5c h LEU 237 Cb -0.02 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 1u5c h LEU 237 CO -0.06 0.77 0.62 -0.08 -0.34 0.00 0.00 178.44 179.35 1u5c h GLU 238 N 0.70 1.12 -0.07 1.25 4.81 0.80 -1.79 114.58 121.40 1u5c h GLU 238 Ca 0.16 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1u5c h GLU 238 Cb 0.29 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1u5c h GLU 238 CO -0.00 0.74 -0.02 0.82 -0.73 0.00 0.00 179.01 179.81 1u5c h ILE 239 N 1.15 1.30 -0.42 2.32 2.04 -0.39 -2.88 117.51 120.64 1u5c h ILE 239 Ca 0.39 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 65.34 1u5c h ILE 239 Cb 0.07 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 1u5c h ILE 239 CO -0.13 0.27 0.10 0.58 0.00 0.00 0.00 178.15 178.97 1u5c h VAL 240 N -0.21 0.81 0.00 1.67 2.07 -0.97 -1.78 116.25 117.84 1u5c h VAL 240 Ca 0.02 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1u5c h VAL 240 Cb 0.44 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1u5c h VAL 240 CO 0.01 0.04 0.00 0.59 0.02 0.00 0.00 177.57 178.23 1u5c n ASN 241 N -5.07 0.00 -1.07 0.57 3.02 -0.70 -1.39 115.26 110.63 1u5c n ASN 241 Ca 0.03 0.48 0.06 0.00 -0.03 0.00 0.00 54.58 55.13 1u5c n ASN 241 Cb 0.18 -0.49 0.22 0.00 -0.61 0.00 0.00 39.78 39.09 1u5c n ASN 241 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1u5c n LEU 242 N -1.49 3.08 -3.05 3.41 4.77 -0.69 -4.93 117.00 118.11 1u5c n LEU 242 Ca 0.03 -1.55 -0.20 0.00 -0.03 0.00 0.00 56.01 54.26 1u5c n LEU 242 Cb 0.14 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1u5c n LEU 242 CO 0.11 0.56 0.19 1.41 -1.33 0.00 0.00 177.39 178.34 1u5c n HIS 243 N 0.67 -2.36 -4.24 -1.77 8.25 -0.48 -5.03 115.22 110.25 1u5c n HIS 243 Ca 0.16 0.82 -0.12 0.00 -0.26 0.00 0.00 57.72 58.32 1u5c n HIS 243 Cb 0.57 -4.35 -0.04 0.00 1.12 0.00 0.00 29.99 27.30 1u5c n HIS 243 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u5c n ALA 244 N -4.51 0.29 -3.14 -1.41 0.00 -1.12 -5.06 120.51 105.56 1u5c n ALA 244 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 53.44 52.29 1u5c n ALA 244 Cb 0.55 0.70 -0.14 0.00 0.00 0.00 0.00 19.45 20.56 1u5c n ALA 244 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u5c s SER 245 N -2.23 -0.00 -0.49 0.00 0.15 -1.26 -3.77 113.70 106.10 1u5c s SER 245 Ca 0.11 0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.53 1u5c s SER 245 Cb 0.01 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1u5c s SER 245 CO 0.08 -0.04 1.57 -2.16 1.20 0.00 0.00 173.24 173.89 1u5c s PRO 246 N 0.32 3.26 0.00 5.44 0.04 -1.26 -4.70 135.00 138.10 1u5c s PRO 246 Ca -0.03 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1u5c s PRO 246 Cb -0.04 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1u5c s PRO 246 CO -0.01 -1.97 0.00 2.48 0.04 0.00 0.00 177.00 177.54 1u5c n TYR 247 N 10.09 0.00 0.04 0.56 4.11 -1.26 -4.81 117.16 125.89 1u5c n TYR 247 Ca 0.17 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.87 1u5c n TYR 247 Cb 0.49 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.69 1u5c n TYR 247 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1u5c h VAL 248 N 0.00 1.50 0.27 -3.48 2.07 -1.94 -2.88 116.25 111.79 1u5c h VAL 248 Ca 0.00 -2.46 -0.01 0.00 0.82 0.00 0.00 66.70 65.05 1u5c h VAL 248 Cb 0.00 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1u5c h VAL 248 CO 0.00 0.70 -0.13 0.00 0.02 0.00 0.00 177.57 178.16 1u5c h ALA 249 N 0.12 -0.36 -0.76 1.67 0.00 -1.97 -1.40 119.26 116.56 1u5c h ALA 249 Ca -0.13 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.85 1u5c h ALA 249 Cb 1.58 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 19.37 1u5c h ALA 249 CO 0.15 -0.70 -0.16 -1.35 0.00 0.00 0.00 179.25 177.19 1u5c h PRO 250 N -0.37 0.01 0.11 0.00 0.11 -1.88 -0.95 132.00 129.03 1u5c h PRO 250 Ca -0.04 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.09 1u5c h PRO 250 Cb 0.29 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.35 1u5c h PRO 250 CO 0.06 0.01 -0.33 0.00 -0.21 0.00 0.00 178.00 177.53 1u5c h ALA 251 N 1.75 -0.56 -0.60 -0.75 0.00 -1.34 -0.90 119.26 116.87 1u5c h ALA 251 Ca 0.38 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1u5c h ALA 251 Cb 0.59 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1u5c h ALA 251 CO -0.77 -0.87 0.40 0.00 0.00 0.00 0.00 179.25 178.01 1u5c h ALA 252 N 0.10 1.63 -0.04 0.00 0.00 -0.35 -1.41 119.26 119.18 1u5c h ALA 252 Ca 0.03 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1u5c h ALA 252 Cb 0.58 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1u5c h ALA 252 CO -0.20 0.32 -0.35 0.00 0.00 0.00 0.00 179.25 179.02 1u5c h ALA 253 N 1.64 0.10 -0.30 0.00 0.00 -1.01 0.58 119.26 120.27 1u5c h ALA 253 Ca 0.23 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.74 1u5c h ALA 253 Cb -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1u5c h ALA 253 CO -0.06 0.19 -0.17 0.82 0.00 0.00 0.00 179.25 180.04 1u5c h ILE 254 N -0.21 0.51 -0.66 0.00 2.04 -0.83 -0.01 117.51 118.35 1u5c h ILE 254 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1u5c h ILE 254 Cb 1.03 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1u5c h ILE 254 CO 0.07 0.00 0.42 0.40 0.00 0.00 0.00 178.15 179.04 1u5c h ILE 255 N -0.13 1.17 -0.86 -0.67 1.08 -1.22 0.10 117.51 116.99 1u5c h ILE 255 Ca 0.16 -0.34 0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1u5c h ILE 255 Cb 0.37 0.22 -0.05 0.00 -3.07 0.00 0.00 36.82 34.29 1u5c h ILE 255 CO -0.38 0.17 0.56 -0.08 -0.69 0.00 0.00 178.15 177.74 1u5c h GLU 256 N 0.89 1.07 -0.10 2.37 4.81 0.91 0.16 114.58 124.69 1u5c h GLU 256 Ca 0.24 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1u5c h GLU 256 Cb -0.08 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.06 1u5c h GLU 256 CO -0.05 0.71 -0.23 0.52 -0.73 0.00 0.00 179.01 179.23 1u5c h MET 257 N 1.10 0.34 -0.63 1.92 2.86 0.07 -2.42 114.93 118.17 1u5c h MET 257 Ca 0.33 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1u5c h MET 257 Cb -0.03 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1u5c h MET 257 CO -0.09 0.82 0.40 0.00 1.06 0.00 0.00 176.91 179.11 1u5c h ALA 258 N 0.51 0.80 -0.74 6.32 0.00 -0.45 -2.01 119.26 123.70 1u5c h ALA 258 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1u5c h ALA 258 Cb 0.82 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1u5c h ALA 258 CO 0.05 0.19 0.32 1.49 0.00 0.00 0.00 179.25 181.29 1u5c h GLU 259 N 0.81 1.09 -0.44 0.00 4.81 -0.72 -0.38 114.58 119.76 1u5c h GLU 259 Ca 0.24 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1u5c h GLU 259 Cb -0.05 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 1u5c h GLU 259 CO -0.07 0.88 0.24 1.03 -0.73 0.00 0.00 179.01 180.36 1u5c h SER 260 N 1.06 0.53 0.38 1.04 0.87 -0.86 0.47 113.55 117.04 1u5c h SER 260 Ca 0.25 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1u5c h SER 260 Cb 0.18 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1u5c h SER 260 CO -0.02 0.43 -0.18 0.22 -0.53 0.00 0.00 176.83 176.74 1u5c h TYR 261 N 0.61 -0.47 0.04 2.24 3.20 -0.63 -2.10 116.97 119.85 1u5c h TYR 261 Ca 0.16 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1u5c h TYR 261 Cb 0.01 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1u5c h TYR 261 CO 0.00 -0.14 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.30 1u5c h LEU 262 N -0.90 -0.04 0.00 2.82 3.38 -0.98 -2.96 115.31 116.64 1u5c h LEU 262 Ca -0.05 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1u5c h LEU 262 Cb 0.54 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1u5c h LEU 262 CO 0.09 0.11 0.00 0.29 0.09 0.00 0.00 178.44 179.01 1u5c n LYS 263 N -5.05 0.17 -3.25 1.13 5.02 0.15 -4.95 118.16 111.37 1u5c n LYS 263 Ca -0.08 0.04 -0.16 0.00 -2.02 0.00 0.00 58.31 56.09 1u5c n LYS 263 Cb 0.11 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.69 1u5c n LYS 263 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1u5c n ASP 264 N -1.41 -2.93 0.10 4.39 2.03 -0.84 -4.93 116.55 112.97 1u5c n ASP 264 Ca 0.09 -0.50 0.12 0.00 0.52 0.00 0.00 54.79 55.02 1u5c n ASP 264 Cb 0.27 -4.37 0.21 0.00 -0.72 0.00 0.00 41.12 36.51 1u5c n ASP 264 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1u5c h LEU 265 N -1.76 0.00 -1.47 -2.67 3.38 -1.60 -3.46 115.31 107.73 1u5c h LEU 265 Ca -0.49 -0.09 -0.47 0.00 0.09 0.00 0.00 57.88 56.91 1u5c h LEU 265 Cb 1.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1u5c h LEU 265 CO 0.43 0.05 -0.82 0.29 0.09 0.00 0.00 178.44 178.48 1u5c n LYS 266 N -2.38 -4.52 -2.54 1.13 5.02 -0.43 -4.94 118.16 109.49 1u5c n LYS 266 Ca 0.03 0.53 -0.36 0.00 -2.02 0.00 0.00 58.31 56.49 1u5c n LYS 266 Cb 0.47 -5.11 -0.04 0.00 -0.02 0.00 0.00 35.03 30.32 1u5c n LYS 266 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1u5c s LYS 267 N -6.44 4.16 -0.49 1.97 1.02 -1.12 -4.69 119.74 114.15 1u5c s LYS 267 Ca 0.30 1.51 -0.26 0.00 0.02 0.00 0.00 55.97 57.54 1u5c s LYS 267 Cb -0.16 -2.54 0.03 0.00 -0.52 0.00 0.00 37.83 34.65 1u5c s LYS 267 CO 0.85 -0.14 0.98 0.08 -0.92 0.00 0.00 175.35 176.20 1u5c s VAL 268 N -1.66 4.37 -0.04 3.17 1.01 -1.26 -1.74 120.40 124.25 1u5c s VAL 268 Ca 0.58 0.72 0.03 0.00 0.00 0.00 0.00 61.98 63.31 1u5c s VAL 268 Cb -0.22 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.66 1u5c s VAL 268 CO 0.27 -0.97 -0.11 -0.76 0.00 0.00 0.00 175.10 173.53 1u5c s LEU 269 N 4.01 1.77 -0.34 3.92 1.43 0.71 -4.92 118.68 125.26 1u5c s LEU 269 Ca 0.38 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 1u5c s LEU 269 Cb -0.10 -0.70 0.01 0.00 0.03 0.00 0.00 46.19 45.43 1u5c s LEU 269 CO 0.26 0.08 1.17 -0.63 0.23 0.00 0.00 176.35 177.46 1u5c s ILE 270 N 0.26 4.32 0.15 -0.59 1.01 -1.26 -1.15 121.20 123.94 1u5c s ILE 270 Ca -0.06 1.48 0.02 0.00 0.00 0.00 0.00 60.65 62.09 1u5c s ILE 270 Cb -0.11 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 1u5c s ILE 270 CO 0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 174.94 174.38 1u5c s SER 272 N -3.13 7.02 0.28 0.00 0.15 -0.73 -1.27 113.70 116.02 1u5c s SER 272 Ca 0.20 1.79 -0.08 0.00 0.70 0.00 0.00 55.95 58.56 1u5c s SER 272 Cb 0.06 -2.55 -0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1u5c s SER 272 CO 0.01 -0.63 0.45 0.28 1.20 0.00 0.00 173.24 174.55 1u5c s THR 273 N 2.53 0.00 -0.32 6.45 -1.32 -0.91 -1.55 115.64 120.52 1u5c s THR 273 Ca 0.56 -1.52 -0.29 0.00 -1.21 0.00 0.00 61.69 59.22 1u5c s THR 273 Cb -0.24 -2.40 0.02 0.00 -1.51 0.00 0.00 72.50 68.37 1u5c s THR 273 CO 0.20 0.00 1.08 -0.22 -2.21 0.00 0.00 174.62 173.47 1u5c s LEU 274 N -3.10 3.93 -0.06 9.08 2.96 -1.26 -1.71 118.68 128.51 1u5c s LEU 274 Ca 0.27 1.05 -0.30 0.00 -0.22 0.00 0.00 54.13 54.93 1u5c s LEU 274 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 1u5c s LEU 274 CO 0.13 -0.89 0.99 -0.76 -1.32 0.00 0.00 176.35 174.50 1u5c s LEU 275 N 3.68 4.30 -0.44 -0.68 1.43 -0.08 -4.96 118.68 121.94 1u5c s LEU 275 Ca 0.46 1.58 0.09 0.00 -1.03 0.00 0.00 54.13 55.23 1u5c s LEU 275 Cb -0.12 -3.55 0.40 0.00 0.03 0.00 0.00 46.19 42.95 1u5c s LEU 275 CO 0.16 -0.36 0.98 -0.62 0.23 0.00 0.00 176.35 176.74 1u5c n GLU 276 N 4.49 2.53 0.00 1.70 1.02 -1.25 -2.41 120.64 126.71 1u5c n GLU 276 Ca 0.07 -4.16 0.00 0.00 -0.02 0.00 0.00 57.16 53.06 1u5c n GLU 276 Cb 0.50 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1u5c n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u5c n GLY 277 N -0.23 1.53 3.77 0.62 0.00 0.51 -5.00 105.19 106.39 1u5c n GLY 277 Ca 0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 1u5c n GLY 277 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u5c s GLN 278 N -0.16 3.78 -1.00 1.61 1.11 -1.22 -1.85 119.66 121.93 1u5c s GLN 278 Ca 0.00 2.01 0.00 0.00 0.01 0.00 0.00 55.36 57.38 1u5c s GLN 278 Cb 0.00 -2.56 0.00 0.00 -1.01 0.00 0.00 33.01 29.44 1u5c s GLN 278 CO 0.00 -0.60 0.00 0.66 0.01 0.00 0.00 175.29 175.36 1u5c n TYR 279 N -0.25 -0.05 -0.93 0.91 4.01 -1.26 -0.87 117.16 118.72 1u5c n TYR 279 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1u5c n TYR 279 Cb 0.45 -2.54 0.00 0.00 -0.31 0.00 0.00 39.34 36.95 1u5c n TYR 279 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u5c n GLY 280 N 0.27 0.45 3.33 2.72 0.00 -0.77 -5.00 105.19 106.20 1u5c n GLY 280 Ca -0.09 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 1u5c n GLY 280 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u5c s HIS 281 N -2.00 2.31 0.12 1.61 3.76 -0.05 -4.95 115.29 116.09 1u5c s HIS 281 Ca 0.00 -0.42 -0.02 0.00 -0.15 0.00 0.00 55.06 54.47 1u5c s HIS 281 Cb 0.00 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.25 1u5c s HIS 281 CO 0.00 0.09 0.06 -1.12 -0.85 0.00 0.00 174.74 172.92 1u5c s SER 282 N -1.10 0.31 -1.24 1.40 0.01 -1.26 -0.36 113.70 111.45 1u5c s SER 282 Ca 0.11 -1.14 -0.05 0.00 1.31 0.00 0.00 55.95 56.18 1u5c s SER 282 Cb -0.10 0.29 0.03 0.00 0.21 0.00 0.00 66.02 66.46 1u5c s SER 282 CO 0.01 -0.72 0.30 0.47 0.41 0.00 0.00 173.24 173.71 1u5c n ASP 283 N -0.07 -4.21 -3.73 2.44 9.92 -1.01 -4.91 116.55 114.97 1u5c n ASP 283 Ca -0.07 -0.13 -0.10 0.00 -0.53 0.00 0.00 54.79 53.96 1u5c n ASP 283 Cb 0.63 -3.50 -0.05 0.00 -0.64 0.00 0.00 41.12 37.56 1u5c n ASP 283 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1u5c s ILE 285 N -2.84 0.09 -0.09 0.53 1.10 -1.25 -5.07 121.20 113.67 1u5c s ILE 285 Ca 0.21 -0.83 -0.11 0.00 -0.51 0.00 0.00 60.65 59.41 1u5c s ILE 285 Cb -0.11 -1.30 -0.05 0.00 0.15 0.00 0.00 42.46 41.16 1u5c s ILE 285 CO 0.26 -0.40 0.26 -0.36 -2.11 0.00 0.00 174.94 172.60 1u5c s PHE 286 N -3.84 3.62 0.11 3.50 0.40 -1.26 -0.90 117.98 119.61 1u5c s PHE 286 Ca 0.05 0.70 -0.16 0.00 -0.60 0.00 0.00 56.93 56.92 1u5c s PHE 286 Cb 0.03 -2.15 0.03 0.00 0.51 0.00 0.00 43.02 41.44 1u5c s PHE 286 CO -0.10 0.60 0.39 0.20 0.70 0.00 0.00 175.22 177.01 1u5c s GLY 287 N -0.73 -0.25 0.04 4.36 0.00 -0.70 -4.84 107.32 105.20 1u5c s GLY 287 Ca 0.18 -0.04 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 1u5c s GLY 287 CO 0.07 -0.29 1.28 -0.32 0.00 0.00 0.00 173.10 173.83 1u5c s GLY 288 N -2.71 2.17 -0.08 0.20 0.00 -0.87 -2.14 107.32 103.88 1u5c s GLY 288 Ca 0.02 0.87 -0.30 0.00 0.00 0.00 0.00 44.72 45.31 1u5c s GLY 288 CO -0.11 2.22 0.80 -1.08 0.00 0.00 0.00 173.10 174.93 1u5c s THR 289 N 1.52 0.00 0.16 0.90 -1.32 -0.39 -1.40 115.64 115.10 1u5c s THR 289 Ca 0.60 0.00 -0.32 0.00 -1.21 0.00 0.00 61.69 60.76 1u5c s THR 289 Cb -0.30 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.56 1u5c s THR 289 CO 0.28 0.00 1.73 -0.81 -2.21 0.00 0.00 174.62 173.60 1u5c n PRO 290 N 0.76 2.60 -4.57 7.08 -0.04 -1.26 -2.04 135.00 137.53 1u5c n PRO 290 Ca -0.15 0.94 -0.26 0.00 -0.04 0.00 0.00 63.50 63.98 1u5c n PRO 290 Cb 0.58 -2.78 -0.10 0.00 -0.04 0.00 0.00 33.50 31.16 1u5c n PRO 290 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1u5c s VAL 291 N 1.64 1.29 -0.24 0.52 -7.23 -0.30 -1.10 120.40 114.98 1u5c s VAL 291 Ca 0.79 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1u5c s VAL 291 Cb -0.55 -2.63 0.02 0.00 0.56 0.00 0.00 36.38 33.78 1u5c s VAL 291 CO 0.36 0.00 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.38 1u5c s VAL 292 N -3.04 2.79 -0.26 1.32 1.01 -0.74 -0.21 120.40 121.28 1u5c s VAL 292 Ca 0.27 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1u5c s VAL 292 Cb 0.06 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1u5c s VAL 292 CO 0.13 0.26 0.26 -0.76 0.00 0.00 0.00 175.10 175.00 1u5c s LEU 293 N 1.33 4.06 0.00 3.92 1.43 -0.71 -1.04 118.68 127.66 1u5c s LEU 293 Ca 0.01 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1u5c s LEU 293 Cb -0.16 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1u5c s LEU 293 CO -0.06 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1u5c n GLY 294 N 4.65 4.77 0.22 -3.19 0.00 -0.48 -1.32 105.19 109.85 1u5c n GLY 294 Ca -0.12 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 44.93 1u5c n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5c h ALA 295 N 1.30 1.46 -0.21 4.61 0.00 -1.81 0.13 119.26 124.74 1u5c h ALA 295 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1u5c h ALA 295 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1u5c h ALA 295 CO 0.00 0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.72 1u5c n ASN 296 N -4.22 1.65 0.00 0.00 3.02 -1.26 -5.04 115.26 109.42 1u5c n ASN 296 Ca -0.01 -2.10 0.00 0.00 -0.03 0.00 0.00 54.58 52.44 1u5c n ASN 296 Cb 0.32 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1u5c n ASN 296 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u5c n GLY 297 N 0.64 0.31 3.57 7.41 0.00 0.46 -4.55 105.19 113.04 1u5c n GLY 297 Ca 0.08 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1u5c n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u5c s VAL 298 N 0.00 3.30 -0.12 1.61 1.01 0.07 -1.38 120.40 124.89 1u5c s VAL 298 Ca 0.00 0.24 0.17 0.00 0.00 0.00 0.00 61.98 62.40 1u5c s VAL 298 Cb 0.00 -3.58 -0.19 0.00 0.00 0.00 0.00 36.38 32.60 1u5c s VAL 298 CO 0.00 -0.49 0.62 -0.62 0.00 0.00 0.00 175.10 174.60 1u5c n GLU 299 N 8.86 0.64 -3.78 2.72 1.02 -0.21 -4.78 120.64 125.11 1u5c n GLU 299 Ca 0.25 0.14 -0.13 0.00 -0.02 0.00 0.00 57.16 57.40 1u5c n GLU 299 Cb 0.50 -1.72 -0.09 0.00 -0.02 0.00 0.00 31.44 30.11 1u5c n GLU 299 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1u5c s GLN 301 N -2.87 0.57 -0.28 3.49 -0.21 -1.24 -4.98 119.66 114.15 1u5c s GLN 301 Ca -0.05 -0.05 -0.03 0.00 0.02 0.00 0.00 55.36 55.24 1u5c s GLN 301 Cb 0.09 0.25 0.03 0.00 1.00 0.00 0.00 33.01 34.38 1u5c s GLN 301 CO 0.83 -0.14 -0.00 0.08 -2.12 0.00 0.00 175.29 173.94 1u5c s VAL 302 N -0.94 3.24 -0.16 1.09 1.01 -1.26 -1.79 120.40 121.59 1u5c s VAL 302 Ca -0.10 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 60.68 1u5c s VAL 302 Cb -0.05 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1u5c s VAL 302 CO 0.03 0.08 0.49 -0.63 0.00 0.00 0.00 175.10 175.06 1u5c s ILE 303 N 1.36 5.15 -0.24 2.22 1.01 -0.26 -5.02 121.20 125.42 1u5c s ILE 303 Ca -0.00 0.93 -0.09 0.00 0.00 0.00 0.00 60.65 61.49 1u5c s ILE 303 Cb -0.18 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1u5c s ILE 303 CO -0.01 0.26 0.11 -0.70 0.00 0.00 0.00 174.94 174.59 1u5c s GLU 304 N 1.12 3.85 0.22 2.79 2.12 -1.26 -4.08 118.70 123.45 1u5c s GLU 304 Ca 0.24 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 54.89 1u5c s GLU 304 Cb -0.15 -3.41 -0.08 0.00 0.26 0.00 0.00 34.13 30.74 1u5c s GLU 304 CO 0.10 -0.05 0.99 -0.51 -0.54 0.00 0.00 175.26 175.24 1u5c s LEU 305 N 1.31 4.59 -1.32 2.70 1.43 -1.26 -4.93 118.68 121.20 1u5c s LEU 305 Ca 0.06 1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 1u5c s LEU 305 Cb -0.15 -3.61 0.13 0.00 0.03 0.00 0.00 46.19 42.60 1u5c s LEU 305 CO 0.05 0.03 1.93 0.00 0.23 0.00 0.00 176.35 178.60 1u5c n GLN 306 N 1.76 3.38 -2.43 1.70 6.02 -1.26 -4.90 117.38 121.65 1u5c n GLN 306 Ca -0.01 -3.29 -0.38 0.00 -0.01 0.00 0.00 57.00 53.31 1u5c n GLN 306 Cb 0.47 -3.06 -0.03 0.00 1.02 0.00 0.00 30.24 28.64 1u5c n GLN 306 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u5c s LEU 307 N 0.80 4.26 0.85 1.08 1.43 -1.26 -5.04 118.68 120.80 1u5c s LEU 307 Ca 0.42 2.22 -0.13 0.00 -1.03 0.00 0.00 54.13 55.62 1u5c s LEU 307 Cb 0.10 -3.98 0.10 0.00 0.03 0.00 0.00 46.19 42.44 1u5c s LEU 307 CO -0.02 -0.48 1.19 0.54 0.23 0.00 0.00 176.35 177.81 1u5c s ASN 308 N -1.22 4.14 0.39 2.29 2.20 -1.26 -4.79 114.94 116.69 1u5c s ASN 308 Ca 0.54 0.76 0.10 0.00 -0.94 0.00 0.00 52.86 53.32 1u5c s ASN 308 Cb -0.28 -1.22 0.88 0.00 -2.00 0.00 0.00 41.25 38.63 1u5c s ASN 308 CO 0.35 -2.13 1.96 0.77 -2.94 0.00 0.00 177.10 175.11 1u5c h SER 309 N -1.22 0.52 -0.23 3.54 4.64 -1.97 0.31 113.55 119.15 1u5c h SER 309 Ca -0.47 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1u5c h SER 309 Cb 1.32 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1u5c h SER 309 CO 0.62 0.32 0.07 -0.33 -0.87 0.00 0.00 176.83 176.64 1u5c h GLU 310 N 0.59 0.36 0.00 4.77 3.07 -1.99 0.91 114.58 122.29 1u5c h GLU 310 Ca 0.30 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 59.05 1u5c h GLU 310 Cb 0.42 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1u5c h GLU 310 CO -0.10 0.46 -0.15 0.93 -1.40 0.00 0.00 179.01 178.75 1u5c h GLU 311 N 0.20 0.00 0.04 2.33 5.08 -1.76 -2.89 114.58 117.59 1u5c h GLU 311 Ca 0.07 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.21 1u5c h GLU 311 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1u5c h GLU 311 CO -0.00 0.15 -1.01 -0.22 -1.00 0.00 0.00 179.01 176.92 1u5c h LYS 312 N 0.00 0.19 -0.90 2.33 3.64 -0.69 -2.50 116.57 118.64 1u5c h LYS 312 Ca -0.00 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1u5c h LYS 312 Cb 1.00 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 1u5c h LYS 312 CO 0.02 1.05 0.51 0.00 -2.27 0.00 0.00 179.45 178.75 1u5c h ALA 313 N 0.85 1.19 -0.18 5.00 0.00 -0.67 -1.34 119.26 124.11 1u5c h ALA 313 Ca -0.07 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1u5c h ALA 313 Cb 1.70 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1u5c h ALA 313 CO 0.16 0.66 -0.41 0.87 0.00 0.00 0.00 179.25 180.52 1u5c h LYS 314 N 1.26 0.41 -0.67 0.00 1.79 -1.45 -2.70 116.57 115.21 1u5c h LYS 314 Ca 0.32 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.54 1u5c h LYS 314 Cb 0.01 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 1u5c h LYS 314 CO -0.05 0.76 0.26 0.35 -1.08 0.00 0.00 179.45 179.68 1u5c h PHE 315 N 0.34 1.00 -0.38 -1.35 3.57 -0.97 -2.83 116.94 116.33 1u5c h PHE 315 Ca 0.03 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1u5c h PHE 315 Cb 0.87 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1u5c h PHE 315 CO 0.03 0.77 0.06 -0.44 -2.23 0.00 0.00 178.31 176.50 1u5c h ASP 316 N 0.97 0.60 -0.07 0.41 3.32 -0.95 -1.85 116.42 118.84 1u5c h ASP 316 Ca 0.22 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 57.03 1u5c h ASP 316 Cb 0.20 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1u5c h ASP 316 CO -0.02 0.71 0.05 -0.33 -1.72 0.00 0.00 179.24 177.93 1u5c h GLU 317 N 0.48 0.06 -0.03 3.56 5.08 -1.27 -1.28 114.58 121.18 1u5c h GLU 317 Ca 0.12 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1u5c h GLU 317 Cb 0.36 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1u5c h GLU 317 CO 0.01 0.04 -0.30 0.00 -1.00 0.00 0.00 179.01 177.76 1u5c h ALA 318 N 1.96 0.07 0.00 3.43 0.00 -1.20 -2.78 119.26 120.74 1u5c h ALA 318 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1u5c h ALA 318 Cb 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1u5c h ALA 318 CO -0.00 0.13 -0.05 0.82 0.00 0.00 0.00 179.25 180.15 1u5c h ILE 319 N -0.34 0.92 0.01 0.00 1.08 -1.15 -2.42 117.51 115.61 1u5c h ILE 319 Ca -0.03 -0.19 -0.25 0.00 -0.39 0.00 0.00 64.86 64.01 1u5c h ILE 319 Cb 1.00 1.10 0.01 0.00 -3.07 0.00 0.00 36.82 35.86 1u5c h ILE 319 CO 0.06 0.05 -1.00 0.00 -0.69 0.00 0.00 178.15 176.57 1u5c h ALA 320 N 1.95 0.25 -0.21 1.87 0.00 -1.19 -2.14 119.26 119.79 1u5c h ALA 320 Ca -0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 54.10 1u5c h ALA 320 Cb 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1u5c h ALA 320 CO 0.01 0.76 -0.30 1.49 0.00 0.00 0.00 179.25 181.21 1u5c h GLU 321 N 0.30 0.41 -0.25 0.00 4.57 -1.36 -1.77 114.58 116.49 1u5c h GLU 321 Ca -0.10 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 57.87 1u5c h GLU 321 Cb 1.64 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.21 1u5c h GLU 321 CO 0.18 0.68 0.02 1.15 -1.18 0.00 0.00 179.01 179.86 1u5c h THR 322 N 0.36 1.24 -0.38 0.32 2.02 -1.27 -2.26 112.91 112.95 1u5c h THR 322 Ca 0.05 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1u5c h THR 322 Cb 0.71 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1u5c h THR 322 CO 0.05 0.27 0.24 0.11 0.37 0.00 0.00 175.52 176.57 1u5c h LYS 323 N 0.22 0.50 -0.16 6.66 1.57 -1.31 -1.54 116.57 122.51 1u5c h LYS 323 Ca 0.07 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 1u5c h LYS 323 Cb 0.38 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1u5c h LYS 323 CO 0.01 0.34 -0.53 -0.09 -0.57 0.00 0.00 179.45 178.60 1u5c h ARG 324 N 0.52 0.64 0.00 3.15 2.43 -1.13 -2.37 114.38 117.62 1u5c h ARG 324 Ca 0.14 -0.48 -0.02 0.00 -0.81 0.00 0.00 59.98 58.81 1u5c h ARG 324 Cb -0.05 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1u5c h ARG 324 CO -0.03 1.10 -0.07 0.52 -1.51 0.00 0.00 179.97 179.98 1u5c h MET 325 N 0.31 0.00 -0.52 0.20 2.86 -1.25 -3.15 114.93 113.39 1u5c h MET 325 Ca -0.02 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1u5c h MET 325 Cb 1.16 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 1u5c h MET 325 CO 0.11 0.07 -0.06 -0.22 1.06 0.00 0.00 176.91 177.88 1u5c h LYS 326 N 0.00 0.96 -0.34 1.72 3.64 -1.03 -2.95 116.57 118.56 1u5c h LYS 326 Ca -0.00 -0.34 -0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1u5c h LYS 326 Cb 0.93 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1u5c h LYS 326 CO 0.01 1.00 -0.05 0.00 -2.27 0.00 0.00 179.45 178.14 1u5c h ALA 327 N 0.93 1.27 0.00 5.00 0.00 -1.40 -2.71 119.26 122.34 1u5c h ALA 327 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1u5c h ALA 327 Cb 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1u5c h ALA 327 CO 0.04 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.05 1u5c n LEU 328 N -4.24 0.00 0.00 0.00 4.77 -1.12 -2.68 117.00 113.74 1u5c n LEU 328 Ca 0.01 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1u5c n LEU 328 Cb 0.29 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1u5c n LEU 328 CO 0.40 -0.01 0.02 0.00 -1.33 0.00 0.00 177.39 176.46 1u5c n ALA 329 N -1.04 1.54 -0.82 -1.18 0.00 -1.06 -4.21 120.51 113.74 1u5c n ALA 329 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1u5c n ALA 329 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1u5c n ALA 329 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22