#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u5a n PRO 19 N 0.00 1.56 -1.70 0.00 -0.05 -1.26 -4.84 135.00 128.71 1u5a n PRO 19 Ca 0.00 -0.59 -0.39 0.00 -0.05 0.00 0.00 63.50 62.46 1u5a n PRO 19 Cb 0.00 -1.49 0.03 0.00 -0.05 0.00 0.00 33.50 31.99 1u5a n PRO 19 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1u5a n LYS 20 N 0.14 1.65 -1.96 0.54 5.02 -1.26 -4.97 118.16 117.32 1u5a n LYS 20 Ca 0.08 0.60 -0.38 0.00 -2.02 0.00 0.00 58.31 56.59 1u5a n LYS 20 Cb 0.54 -2.41 0.02 0.00 -0.02 0.00 0.00 35.03 33.16 1u5a n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u5a s ALA 21 N -1.29 2.86 -0.18 7.82 0.00 -1.26 -4.83 121.76 124.89 1u5a s ALA 21 Ca 0.68 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.77 1u5a s ALA 21 Cb -0.46 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.14 1u5a s ALA 21 CO 0.53 -1.11 -0.02 0.21 0.00 0.00 0.00 175.76 175.37 1u5a s LYS 22 N -2.85 3.66 -0.21 0.00 2.20 -1.26 -1.09 119.74 120.19 1u5a s LYS 22 Ca 0.69 -0.51 0.01 0.00 -0.36 0.00 0.00 55.97 55.80 1u5a s LYS 22 Cb -0.36 -3.01 0.04 0.00 -1.51 0.00 0.00 37.83 33.00 1u5a s LYS 22 CO 0.42 0.13 -0.11 0.42 -0.36 0.00 0.00 175.35 175.85 1u5a s ILE 23 N 0.67 1.80 -0.22 5.43 1.01 -0.15 -0.90 121.20 128.84 1u5a s ILE 23 Ca -0.01 -1.15 -0.08 0.00 0.00 0.00 0.00 60.65 59.41 1u5a s ILE 23 Cb -0.14 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1u5a s ILE 23 CO 0.02 0.15 0.08 -0.69 0.00 0.00 0.00 174.94 174.51 1u5a s VAL 24 N 1.32 4.66 -0.52 2.92 1.01 -0.16 -1.09 120.40 128.54 1u5a s VAL 24 Ca -0.02 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 1u5a s VAL 24 Cb -0.17 -3.15 0.10 0.00 0.00 0.00 0.00 36.38 33.16 1u5a s VAL 24 CO -0.08 0.38 0.49 -0.76 0.00 0.00 0.00 175.10 175.13 1u5a s LEU 25 N 1.09 5.76 -0.85 3.92 1.43 0.47 -1.28 118.68 129.23 1u5a s LEU 25 Ca 0.05 -1.48 -0.23 0.00 -1.03 0.00 0.00 54.13 51.43 1u5a s LEU 25 Cb -0.14 -2.23 0.07 0.00 0.03 0.00 0.00 46.19 43.92 1u5a s LEU 25 CO 0.03 -0.80 1.22 -0.69 0.23 0.00 0.00 176.35 176.34 1u5a s VAL 26 N 1.83 4.15 0.00 -1.59 1.01 0.32 -1.07 120.40 125.05 1u5a s VAL 26 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1u5a s VAL 26 Cb -0.26 -4.88 0.00 0.00 0.00 0.00 0.00 36.38 31.24 1u5a s VAL 26 CO 0.06 -1.71 0.00 0.61 0.00 0.00 0.00 175.10 174.06 1u5a n GLY 27 N 5.85 3.28 1.68 4.51 0.00 0.11 -0.87 105.19 119.74 1u5a n GLY 27 Ca 0.15 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 1u5a n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u5a n SER 28 N 0.00 3.88 -2.54 1.61 7.64 -1.17 -4.41 113.62 118.63 1u5a n SER 28 Ca 0.00 -3.69 0.00 0.00 1.01 0.00 0.00 58.87 56.19 1u5a n SER 28 Cb 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1u5a n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u5a n GLY 29 N -0.79 0.93 0.25 0.23 0.00 -1.26 -4.57 105.19 99.97 1u5a n GLY 29 Ca 0.35 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 1u5a n GLY 29 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1u5a h MET 30 N 0.00 0.81 -0.44 1.61 2.86 -1.99 -0.64 114.93 117.14 1u5a h MET 30 Ca 0.00 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 1u5a h MET 30 Cb 0.00 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1u5a h MET 30 CO 0.00 0.76 0.10 0.82 1.06 0.00 0.00 176.91 179.65 1u5a h ILE 31 N 0.71 1.24 -0.82 -1.22 2.04 -1.93 -2.08 117.51 115.45 1u5a h ILE 31 Ca 0.16 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 65.25 1u5a h ILE 31 Cb 0.30 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 1u5a h ILE 31 CO -0.00 0.29 0.50 1.23 0.00 0.00 0.00 178.15 180.17 1u5a h GLY 32 N 0.59 1.23 1.28 5.37 0.00 -1.70 -0.90 103.07 108.94 1u5a h GLY 32 Ca 0.14 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 1u5a h GLY 32 CO 0.00 0.25 -0.12 -1.33 0.00 0.00 0.00 176.54 175.34 1u5a h GLY 33 N 0.93 0.91 1.49 4.60 0.00 -0.76 -1.31 103.07 108.93 1u5a h GLY 33 Ca 0.36 -0.71 -0.16 0.00 0.00 0.00 0.00 47.33 46.82 1u5a h GLY 33 CO -0.17 0.65 -0.54 -2.08 0.00 0.00 0.00 176.54 174.40 1u5a h VAL 35 N 0.75 1.32 -0.49 4.60 2.07 -0.82 -2.40 116.25 121.29 1u5a h VAL 35 Ca 0.12 -1.79 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 1u5a h VAL 35 Cb 0.63 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1u5a h VAL 35 CO 0.04 0.56 0.30 0.24 0.02 0.00 0.00 177.57 178.73 1u5a h MET 36 N 0.41 0.66 -0.45 1.57 2.86 -0.95 -1.16 114.93 117.88 1u5a h MET 36 Ca 0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1u5a h MET 36 Cb 1.08 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 1u5a h MET 36 CO 0.10 0.48 0.29 0.00 1.06 0.00 0.00 176.91 178.83 1u5a h ALA 37 N 1.15 0.57 -0.36 6.32 0.00 -1.14 -0.55 119.26 125.25 1u5a h ALA 37 Ca 0.18 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1u5a h ALA 37 Cb -0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 1u5a h ALA 37 CO -0.03 0.03 0.01 1.15 0.00 0.00 0.00 179.25 180.41 1u5a h THR 38 N 0.60 0.74 -0.26 0.00 2.02 -1.09 -2.26 112.91 112.67 1u5a h THR 38 Ca 0.16 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.21 1u5a h THR 38 Cb -0.05 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1u5a h THR 38 CO -0.03 0.02 -0.25 -0.07 0.37 0.00 0.00 175.52 175.56 1u5a h LEU 39 N 0.11 0.50 -0.58 2.58 3.38 -0.86 -0.96 115.31 119.48 1u5a h LEU 39 Ca 0.18 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1u5a h LEU 39 Cb 0.24 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1u5a h LEU 39 CO -0.29 0.74 0.18 0.40 0.09 0.00 0.00 178.44 179.57 1u5a h ILE 40 N 0.44 1.24 -0.27 1.22 2.04 -0.81 -0.58 117.51 120.78 1u5a h ILE 40 Ca 0.06 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 1u5a h ILE 40 Cb 0.67 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1u5a h ILE 40 CO 0.05 0.31 0.02 0.58 0.00 0.00 0.00 178.15 179.11 1u5a h VAL 41 N 0.82 1.25 -0.96 1.67 2.07 -1.16 0.21 116.25 120.14 1u5a h VAL 41 Ca 0.19 -0.86 0.12 0.00 0.82 0.00 0.00 66.70 66.97 1u5a h VAL 41 Cb 0.28 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 1u5a h VAL 41 CO -0.01 0.28 0.59 1.56 0.02 0.00 0.00 177.57 180.01 1u5a h GLN 42 N 0.26 0.89 -0.03 1.57 1.08 -0.89 -1.28 115.11 116.72 1u5a h GLN 42 Ca 0.08 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1u5a h GLN 42 Cb 0.38 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1u5a h GLN 42 CO 0.01 0.59 0.00 1.63 -0.95 0.00 0.00 178.83 180.11 1u5a n LYS 43 N -4.67 1.91 -4.03 1.46 5.02 -0.25 -4.97 118.16 112.63 1u5a n LYS 43 Ca 0.18 -1.32 -0.30 0.00 -2.02 0.00 0.00 58.31 54.85 1u5a n LYS 43 Cb 0.36 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 1u5a n LYS 43 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1u5a n ASN 44 N 0.60 -2.63 0.12 4.39 5.15 0.61 -4.89 115.26 118.62 1u5a n ASN 44 Ca 0.17 -0.94 0.03 0.00 -0.60 0.00 0.00 54.58 53.24 1u5a n ASN 44 Cb 0.44 -3.23 0.01 0.00 -0.53 0.00 0.00 39.78 36.48 1u5a n ASN 44 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1u5a h LEU 45 N -1.78 0.00 0.00 1.20 3.38 -1.49 -3.49 115.31 113.14 1u5a h LEU 45 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1u5a h LEU 45 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1u5a h LEU 45 CO 0.69 0.49 0.00 0.61 0.09 0.00 0.00 178.44 180.32 1u5a n GLY 46 N 1.25 0.68 3.77 0.83 0.00 -1.26 -4.48 105.19 105.98 1u5a n GLY 46 Ca 0.00 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 1u5a n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u5a s ASP 47 N 0.00 6.17 -0.06 1.61 1.01 -0.25 -4.66 116.67 120.49 1u5a s ASP 47 Ca 0.00 2.42 0.06 0.00 0.71 0.00 0.00 52.55 55.74 1u5a s ASP 47 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1u5a s ASP 47 CO 0.00 -0.93 -0.24 -0.69 0.21 0.00 0.00 175.17 173.52 1u5a s VAL 49 N -1.44 2.02 -0.23 -1.27 1.01 0.64 -0.98 120.40 120.16 1u5a s VAL 49 Ca 0.62 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1u5a s VAL 49 Cb -0.32 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1u5a s VAL 49 CO 0.39 0.56 -0.03 -0.69 0.00 0.00 0.00 175.10 175.34 1u5a s VAL 50 N -0.06 3.46 -0.60 2.92 1.01 -0.25 -1.58 120.40 125.30 1u5a s VAL 50 Ca -0.07 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 1u5a s VAL 50 Cb -0.14 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.69 1u5a s VAL 50 CO 0.05 0.38 0.88 -0.76 0.00 0.00 0.00 175.10 175.65 1u5a s LEU 51 N 1.48 4.50 -0.15 3.92 1.43 0.43 -0.40 118.68 129.89 1u5a s LEU 51 Ca 0.05 -0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 52.22 1u5a s LEU 51 Cb -0.15 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1u5a s LEU 51 CO -0.02 -1.27 0.12 0.12 0.23 0.00 0.00 176.35 175.53 1u5a s PHE 52 N 3.69 3.48 0.10 0.29 5.36 -0.23 -0.93 117.98 129.74 1u5a s PHE 52 Ca 0.22 0.40 -0.15 0.00 -0.96 0.00 0.00 56.93 56.44 1u5a s PHE 52 Cb -0.17 -2.02 0.03 0.00 -0.34 0.00 0.00 43.02 40.52 1u5a s PHE 52 CO 0.12 0.51 0.37 0.34 -1.46 0.00 0.00 175.22 175.11 1u5a s ASP 53 N -0.40 -0.19 0.39 6.13 -1.08 -0.48 -0.71 116.67 120.33 1u5a s ASP 53 Ca 0.11 -0.30 0.14 0.00 -0.52 0.00 0.00 52.55 51.99 1u5a s ASP 53 Cb -0.12 0.44 0.81 0.00 -1.46 0.00 0.00 42.92 42.59 1u5a s ASP 53 CO 0.01 -0.79 1.86 0.40 0.52 0.00 0.00 175.17 177.17 1u5a h ILE 54 N 2.57 1.19 -2.99 4.11 5.03 -1.93 -3.39 117.51 122.09 1u5a h ILE 54 Ca -0.33 -1.14 -0.54 0.00 -0.12 0.00 0.00 64.86 62.72 1u5a h ILE 54 Cb 1.24 1.62 -0.00 0.00 -3.03 0.00 0.00 36.82 36.65 1u5a h ILE 54 CO 0.47 0.32 0.76 -0.69 -0.68 0.00 0.00 178.15 178.34 1u5a s VAL 55 N -4.23 3.83 0.26 1.67 1.01 -1.26 -4.96 120.40 116.72 1u5a s VAL 55 Ca -0.03 1.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 1u5a s VAL 55 Cb 0.14 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 1u5a s VAL 55 CO 0.71 0.02 1.45 -0.54 0.00 0.00 0.00 175.10 176.74 1u5a s LYS 56 N 2.08 4.25 0.00 2.72 -0.14 -1.26 -4.14 119.74 123.24 1u5a s LYS 56 Ca 0.62 2.34 0.00 0.00 -1.36 0.00 0.00 55.97 57.56 1u5a s LYS 56 Cb -0.30 -3.09 0.00 0.00 -1.68 0.00 0.00 37.83 32.76 1u5a s LYS 56 CO 0.26 -0.43 0.00 0.09 -0.76 0.00 0.00 175.35 174.51 1u5a n ASN 57 N 2.15 0.00 -0.23 2.83 5.03 -1.26 -4.75 115.26 119.02 1u5a n ASN 57 Ca 0.06 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.54 1u5a n ASN 57 Cb 0.40 0.00 0.11 0.00 -1.02 0.00 0.00 39.78 39.27 1u5a n ASN 57 CO 0.00 0.00 0.00 -0.03 -1.83 0.00 0.00 177.26 175.40 1u5a h MET 58 N 0.00 0.06 -0.58 3.52 4.05 -2.00 -1.29 114.93 118.68 1u5a h MET 58 Ca 0.00 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1u5a h MET 58 Cb 0.00 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 1u5a h MET 58 CO 0.00 0.04 0.36 -1.00 0.23 0.00 0.00 176.91 176.54 1u5a h PRO 59 N 0.06 0.78 -0.98 0.39 0.13 -1.86 -1.65 132.00 128.88 1u5a h PRO 59 Ca 0.36 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.46 1u5a h PRO 59 Cb 0.59 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 31.50 1u5a h PRO 59 CO -0.65 0.54 0.64 0.45 -0.23 0.00 0.00 178.00 178.76 1u5a h HIS 60 N 0.80 1.21 -0.21 1.56 3.86 -1.54 -0.34 115.15 120.49 1u5a h HIS 60 Ca 0.21 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.38 1u5a h HIS 60 Cb -0.05 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.01 1u5a h HIS 60 CO 0.00 0.71 -0.13 0.78 0.86 0.00 0.00 177.93 180.15 1u5a h GLY 61 N 1.26 0.50 1.10 2.45 0.00 -0.88 -1.61 103.07 105.90 1u5a h GLY 61 Ca 0.38 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1u5a h GLY 61 CO -0.11 0.43 0.18 0.50 0.00 0.00 0.00 176.54 177.54 1u5a h LYS 62 N 0.16 1.12 -0.67 4.80 1.57 -1.30 -2.03 116.57 120.22 1u5a h LYS 62 Ca 0.04 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1u5a h LYS 62 Cb 0.64 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1u5a h LYS 62 CO 0.04 0.98 0.39 0.00 -0.57 0.00 0.00 179.45 180.28 1u5a h ALA 63 N 1.13 0.86 0.05 3.86 0.00 -0.99 -0.61 119.26 123.56 1u5a h ALA 63 Ca 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1u5a h ALA 63 Cb 0.35 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1u5a h ALA 63 CO -0.00 0.35 -0.03 1.25 0.00 0.00 0.00 179.25 180.82 1u5a h LEU 64 N 0.92 -0.06 -0.37 0.00 5.85 -1.05 0.65 115.31 121.25 1u5a h LEU 64 Ca 0.24 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1u5a h LEU 64 Cb -0.00 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 1u5a h LEU 64 CO -0.04 0.14 -0.08 -0.78 -0.34 0.00 0.00 178.44 177.34 1u5a h ASP 65 N -0.26 -0.32 -0.44 1.25 3.58 -1.24 -2.43 116.42 116.57 1u5a h ASP 65 Ca -0.01 0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.48 1u5a h ASP 65 Cb 0.23 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 1u5a h ASP 65 CO 0.01 -0.11 0.02 0.74 -2.88 0.00 0.00 179.24 177.02 1u5a h THR 66 N 0.01 1.24 -0.64 2.25 2.02 -0.81 -3.04 112.91 113.94 1u5a h THR 66 Ca 0.18 -1.00 0.06 0.00 0.77 0.00 0.00 66.41 66.42 1u5a h THR 66 Cb 0.27 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1u5a h THR 66 CO -0.37 0.36 0.43 0.77 0.37 0.00 0.00 175.52 177.07 1u5a h SER 67 N 0.78 0.57 0.40 4.18 4.64 -0.36 -1.43 113.55 122.33 1u5a h SER 67 Ca 0.15 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1u5a h SER 67 Cb 0.44 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1u5a h SER 67 CO 0.02 0.37 -0.13 0.45 -0.87 0.00 0.00 176.83 176.67 1u5a h HIS 68 N 0.65 0.00 0.00 4.77 -0.00 -1.48 -2.19 115.15 116.90 1u5a h HIS 68 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 1u5a h HIS 68 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 1u5a h HIS 68 CO -0.00 0.13 0.00 0.25 -0.00 0.00 0.00 177.93 178.31 1u5a n THR 69 N -3.65 1.08 -0.02 2.45 -2.24 -0.54 -2.03 114.28 109.34 1u5a n THR 69 Ca -0.02 0.28 0.15 0.00 -2.27 0.00 0.00 64.05 62.19 1u5a n THR 69 Cb 0.26 -1.07 0.59 0.00 -2.10 0.00 0.00 70.33 68.01 1u5a n THR 69 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1u5a h ASN 70 N 0.00 0.18 0.11 3.42 2.35 -1.55 -1.37 115.58 118.71 1u5a h ASN 70 Ca 0.00 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1u5a h ASN 70 Cb 0.23 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1u5a h ASN 70 CO 0.00 0.10 -0.05 0.58 -1.65 0.00 0.00 177.43 176.41 1u5a h VAL 71 N 0.20 1.11 0.00 2.81 2.07 -1.65 -1.43 116.25 119.35 1u5a h VAL 71 Ca 0.25 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1u5a h VAL 71 Cb 0.71 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1u5a h VAL 71 CO -0.04 0.24 -0.06 0.24 0.02 0.00 0.00 177.57 177.96 1u5a h MET 72 N -0.63 0.00 -0.01 1.57 2.86 -1.65 -3.13 114.93 113.95 1u5a h MET 72 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1u5a h MET 72 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1u5a h MET 72 CO 0.02 0.06 -0.58 0.00 1.06 0.00 0.00 176.91 177.48 1u5a n ALA 73 N -2.50 3.80 -2.78 6.32 0.00 -0.55 -4.95 120.51 119.85 1u5a n ALA 73 Ca -0.03 -0.60 -0.20 0.00 0.00 0.00 0.00 53.44 52.61 1u5a n ALA 73 Cb 0.14 -0.83 0.02 0.00 0.00 0.00 0.00 19.45 18.78 1u5a n ALA 73 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1u5a n TYR 73 N -0.48 -1.54 -3.64 0.00 4.02 -0.70 -4.98 117.16 109.85 1u5a n TYR 73 Ca 0.08 0.34 -0.22 0.00 -0.01 0.00 0.00 57.90 58.09 1u5a n TYR 73 Cb 0.42 -4.06 -0.03 0.00 -0.02 0.00 0.00 39.34 35.65 1u5a n TYR 73 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1u5a s SER 74 N -2.56 4.93 -0.39 7.72 0.01 -0.62 -5.06 113.70 117.72 1u5a s SER 74 Ca 0.20 -0.86 0.08 0.00 1.31 0.00 0.00 55.95 56.68 1u5a s SER 74 Cb -0.09 -0.36 0.26 0.00 0.21 0.00 0.00 66.02 66.04 1u5a s SER 74 CO 0.24 -0.75 0.58 -3.20 0.41 0.00 0.00 173.24 170.52 1u5a n ASN 75 N -1.59 0.02 -4.42 2.44 5.15 -1.26 -4.69 115.26 110.92 1u5a n ASN 75 Ca 0.03 -2.78 -0.34 0.00 -0.60 0.00 0.00 54.58 50.88 1u5a n ASN 75 Cb 0.62 -0.45 -0.13 0.00 -0.53 0.00 0.00 39.78 39.29 1u5a n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u5a s LYS 77 N 0.92 4.23 -0.15 0.00 1.02 -1.26 -4.87 119.74 119.62 1u5a s LYS 77 Ca 0.00 2.21 -0.01 0.00 0.02 0.00 0.00 55.97 58.19 1u5a s LYS 77 Cb -0.15 -2.97 0.04 0.00 -0.52 0.00 0.00 37.83 34.24 1u5a s LYS 77 CO 0.01 -0.29 -0.03 0.08 -0.92 0.00 0.00 175.35 174.19 1u5a s VAL 78 N -1.18 0.92 0.10 3.17 1.01 -1.26 -0.26 120.40 122.90 1u5a s VAL 78 Ca 0.52 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1u5a s VAL 78 Cb -0.39 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1u5a s VAL 78 CO 0.52 0.11 -0.16 -0.94 0.00 0.00 0.00 175.10 174.63 1u5a s SER 79 N 1.71 2.07 0.42 3.32 1.04 -0.62 -4.56 113.70 117.08 1u5a s SER 79 Ca 0.01 -0.70 -0.01 0.00 0.48 0.00 0.00 55.95 55.73 1u5a s SER 79 Cb -0.15 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 1u5a s SER 79 CO -0.07 -0.05 0.65 -0.83 0.98 0.00 0.00 173.24 173.92 1u5a s GLY 80 N -2.03 1.45 -0.22 7.32 0.00 -1.26 -0.43 107.32 112.15 1u5a s GLY 80 Ca 0.04 -0.84 -0.20 0.00 0.00 0.00 0.00 44.72 43.72 1u5a s GLY 80 CO 0.03 -0.72 0.58 -0.45 0.00 0.00 0.00 173.10 172.55 1u5a s SER 81 N -4.11 -0.61 -0.16 1.64 0.15 -0.10 -4.81 113.70 105.69 1u5a s SER 81 Ca 0.44 1.16 0.15 0.00 0.70 0.00 0.00 55.95 58.41 1u5a s SER 81 Cb -0.10 1.18 0.35 0.00 -1.71 0.00 0.00 66.02 65.74 1u5a s SER 81 CO 0.39 -0.21 1.18 0.59 1.20 0.00 0.00 173.24 176.39 1u5a n ASN 83 N 2.72 1.95 -3.95 5.45 5.03 -1.26 -1.38 115.26 123.81 1u5a n ASN 83 Ca -0.14 -3.43 -0.27 0.00 0.87 0.00 0.00 54.58 51.61 1u5a n ASN 83 Cb 0.56 -0.47 -0.17 0.00 -1.02 0.00 0.00 39.78 38.68 1u5a n ASN 83 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1u5a s THR 84 N -2.91 1.17 0.55 3.41 2.01 -1.26 -4.97 115.64 113.65 1u5a s THR 84 Ca 0.34 -0.40 0.23 0.00 0.31 0.00 0.00 61.69 62.17 1u5a s THR 84 Cb 0.32 -1.14 0.31 0.00 0.01 0.00 0.00 72.50 72.00 1u5a s THR 84 CO -0.02 0.39 2.20 1.88 -0.69 0.00 0.00 174.62 178.37 1u5a h TYR 85 N 7.91 0.00 0.00 4.92 -1.99 -1.97 -2.44 116.97 123.40 1u5a h TYR 85 Ca -0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.41 1u5a h TYR 85 Cb 1.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.87 1u5a h TYR 85 CO 0.48 0.00 0.00 -0.25 -0.00 0.00 0.00 178.16 178.39 1u5a n ASP 86 N -4.21 0.54 0.00 3.88 8.00 -1.26 -1.46 116.55 122.04 1u5a n ASP 86 Ca -0.03 0.68 0.06 0.00 0.71 0.00 0.00 54.79 56.21 1u5a n ASP 86 Cb 0.09 -0.77 0.33 0.00 -0.02 0.00 0.00 41.12 40.75 1u5a n ASP 86 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1u5a n ASP 87 N -2.14 0.00 0.31 -2.24 8.00 -0.92 -1.63 116.55 117.93 1u5a n ASP 87 Ca 0.01 0.06 0.21 0.00 0.71 0.00 0.00 54.79 55.77 1u5a n ASP 87 Cb 0.14 -0.26 1.01 0.00 -0.02 0.00 0.00 41.12 41.99 1u5a n ASP 87 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1u5a h LEU 88 N 0.00 0.00 -9.53 0.64 3.38 -1.48 -3.45 115.31 104.86 1u5a h LEU 88 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1u5a h LEU 88 Cb 0.11 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.92 1u5a h LEU 88 CO 0.00 0.00 0.78 0.00 0.09 0.00 0.00 178.44 179.31 1u5a n ALA 89 N -2.08 1.43 -0.97 1.53 0.00 -0.65 -1.60 120.51 118.17 1u5a n ALA 89 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1u5a n ALA 89 Cb 0.16 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1u5a n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u5a n GLY 90 N 3.21 0.65 3.74 0.00 0.00 -1.24 -5.00 105.19 106.55 1u5a n GLY 90 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1u5a n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5a s ALA 91 N -2.70 3.63 -0.05 4.61 0.00 -0.63 -4.61 121.76 122.01 1u5a s ALA 91 Ca 0.00 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.26 1u5a s ALA 91 Cb 0.00 -3.56 -0.26 0.00 0.00 0.00 0.00 23.12 19.31 1u5a s ALA 91 CO 0.00 -0.71 0.63 -0.44 0.00 0.00 0.00 175.76 175.24 1u5a h ASP 92 N 5.50 0.27 -3.75 0.00 5.19 -1.37 -3.37 116.42 118.90 1u5a h ASP 92 Ca -0.45 -0.51 -0.35 0.00 -0.62 0.00 0.00 57.03 55.10 1u5a h ASP 92 Cb 1.21 -0.09 -0.31 0.00 0.18 0.00 0.00 39.33 40.33 1u5a h ASP 92 CO 0.81 1.45 -0.76 -0.69 -3.12 0.00 0.00 179.24 176.92 1u5a s VAL 93 N -2.59 0.43 -0.10 -1.35 1.01 -1.00 -1.13 120.40 115.66 1u5a s VAL 93 Ca -0.12 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1u5a s VAL 93 Cb 0.07 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 36.06 1u5a s VAL 93 CO 0.81 0.15 -0.13 -0.69 0.00 0.00 0.00 175.10 175.25 1u5a s VAL 94 N 0.29 1.32 -0.21 2.92 1.01 -0.24 -0.99 120.40 124.50 1u5a s VAL 94 Ca -0.03 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1u5a s VAL 94 Cb -0.07 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.12 1u5a s VAL 94 CO -0.00 0.41 -0.17 -0.63 0.00 0.00 0.00 175.10 174.71 1u5a s ILE 95 N 1.07 2.09 -0.39 2.22 1.01 -0.41 -0.60 121.20 126.19 1u5a s ILE 95 Ca -0.06 -1.18 -0.11 0.00 0.00 0.00 0.00 60.65 59.30 1u5a s ILE 95 Cb -0.15 -2.00 0.04 0.00 0.01 0.00 0.00 42.46 40.36 1u5a s ILE 95 CO -0.02 0.34 0.24 -0.69 0.00 0.00 0.00 174.94 174.81 1u5a s VAL 96 N 1.23 4.63 -0.55 2.92 1.01 -0.07 -0.52 120.40 129.05 1u5a s VAL 96 Ca 0.00 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.14 1u5a s VAL 96 Cb -0.15 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 1u5a s VAL 96 CO -0.10 -0.31 0.46 0.35 0.00 0.00 0.00 175.10 175.50 1u5a n THR 97 N 5.02 0.00 -1.77 3.92 -2.24 -0.05 -0.99 114.28 118.16 1u5a n THR 97 Ca -0.11 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 61.00 1u5a n THR 97 Cb 0.45 1.02 0.04 0.00 -2.10 0.00 0.00 70.33 69.74 1u5a n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u5a s ALA 98 N -1.90 2.91 0.00 6.98 0.00 -0.89 -4.60 121.76 124.27 1u5a s ALA 98 Ca 0.05 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1u5a s ALA 98 Cb 0.08 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1u5a s ALA 98 CO 0.40 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1u5a n GLY 99 N 0.70 4.00 3.76 0.00 0.00 -1.26 -4.72 105.19 107.65 1u5a n GLY 99 Ca 0.09 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 1u5a n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u5a s PHE 100 N -2.00 3.25 -0.03 1.61 0.40 -1.26 -4.94 117.98 115.00 1u5a s PHE 100 Ca 0.00 1.42 0.00 0.00 -0.60 0.00 0.00 56.93 57.75 1u5a s PHE 100 Cb 0.00 -3.56 -0.00 0.00 0.51 0.00 0.00 43.02 39.97 1u5a s PHE 100 CO 0.00 -1.56 0.21 0.25 0.70 0.00 0.00 175.22 174.82 1u5a n THR 101 N 1.52 0.00 -3.48 0.64 -2.24 -1.26 -4.94 114.28 104.52 1u5a n THR 101 Ca 0.02 -0.49 -0.29 0.00 -2.27 0.00 0.00 64.05 61.01 1u5a n THR 101 Cb 0.43 1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 69.54 1u5a n THR 101 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u5a s LYS 102 N -0.65 0.56 0.00 -0.78 1.02 -1.26 -5.14 119.74 113.48 1u5a s LYS 102 Ca 0.00 -1.30 0.00 0.00 0.02 0.00 0.00 55.97 54.69 1u5a s LYS 102 Cb 0.00 -1.34 0.00 0.00 -0.52 0.00 0.00 37.83 35.97 1u5a s LYS 102 CO 0.01 -1.19 0.00 -2.13 -0.92 0.00 0.00 175.35 171.12 1u5a n ARG 109 N 4.11 0.00 0.26 1.68 0.63 -1.26 -5.07 116.66 117.01 1u5a n ARG 109 Ca 0.11 0.00 0.16 0.00 -0.92 0.00 0.00 57.85 57.20 1u5a n ARG 109 Cb 0.37 0.00 0.89 0.00 0.45 0.00 0.00 32.46 34.17 1u5a n ARG 109 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1u5a h ASP 110 N 0.00 0.00 0.54 6.15 3.32 -2.03 -2.77 116.42 121.63 1u5a h ASP 110 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1u5a h ASP 110 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1u5a h ASP 110 CO 0.00 0.00 -0.17 0.44 -1.72 0.00 0.00 179.24 177.79 1u5a h ASP 111 N 0.00 0.00 1.35 6.45 3.45 -2.03 -2.11 116.42 123.52 1u5a h ASP 111 Ca 0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1u5a h ASP 111 Cb 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1u5a h ASP 111 CO -0.00 0.17 0.00 -0.07 -1.57 0.00 0.00 179.24 177.77 1u5a h LEU 112 N 0.00 0.00 -0.04 1.55 3.38 -1.89 -3.38 115.31 114.93 1u5a h LEU 112 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1u5a h LEU 112 Cb 0.49 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1u5a h LEU 112 CO 0.02 0.00 -0.11 -0.07 0.09 0.00 0.00 178.44 178.37 1u5a h LEU 113 N 0.00 -0.32 -1.13 1.67 3.38 -1.54 -0.10 115.31 117.27 1u5a h LEU 113 Ca 0.00 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1u5a h LEU 113 Cb 0.67 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1u5a h LEU 113 CO 0.00 -0.15 -0.27 1.55 0.09 0.00 0.00 178.44 179.66 1u5a h PRO 114 N -0.17 0.27 -0.22 1.13 0.13 -1.73 -0.61 132.00 130.81 1u5a h PRO 114 Ca 0.05 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1u5a h PRO 114 Cb 0.24 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 1u5a h PRO 114 CO -0.14 0.53 0.05 -0.07 -0.23 0.00 0.00 178.00 178.13 1u5a h LEU 115 N 0.24 0.34 -1.06 1.56 4.07 -1.69 -2.61 115.31 116.17 1u5a h LEU 115 Ca 0.04 -0.24 -0.09 0.00 0.08 0.00 0.00 57.88 57.66 1u5a h LEU 115 Cb 0.61 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1u5a h LEU 115 CO 0.04 0.50 -0.38 0.78 -1.08 0.00 0.00 178.44 178.30 1u5a h ASN 116 N 0.17 0.18 -0.58 -0.43 2.35 -0.86 -2.38 115.58 114.03 1u5a h ASN 116 Ca 0.07 -0.07 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1u5a h ASN 116 Cb 0.29 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.56 1u5a h ASN 116 CO 0.00 0.55 0.26 -1.13 -1.65 0.00 0.00 177.43 175.46 1u5a h ASN 117 N 0.15 0.32 -0.50 5.81 -1.24 -1.02 -0.95 115.58 118.15 1u5a h ASN 117 Ca 0.02 0.05 -0.04 0.00 0.71 0.00 0.00 56.30 57.04 1u5a h ASN 117 Cb 0.74 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.77 1u5a h ASN 117 CO 0.06 0.21 0.17 0.11 -1.29 0.00 0.00 177.43 176.69 1u5a h LYS 118 N 0.48 0.82 -0.41 6.67 1.79 -1.05 0.64 116.57 125.50 1u5a h LYS 118 Ca 0.27 -0.15 -0.06 0.00 -2.18 0.00 0.00 60.65 58.54 1u5a h LYS 118 Cb 0.26 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1u5a h LYS 118 CO -0.23 0.71 0.02 0.82 -1.08 0.00 0.00 179.45 179.69 1u5a h ILE 119 N 0.80 1.25 -0.87 1.86 2.04 -1.03 -1.47 117.51 120.09 1u5a h ILE 119 Ca 0.18 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1u5a h ILE 119 Cb 0.23 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1u5a h ILE 119 CO -0.01 0.33 0.45 0.24 0.00 0.00 0.00 178.15 179.16 1u5a h MET 120 N 0.55 1.23 -0.23 2.37 2.86 -0.47 -1.05 114.93 120.19 1u5a h MET 120 Ca 0.12 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1u5a h MET 120 Cb 0.44 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1u5a h MET 120 CO 0.02 0.93 0.12 0.82 1.06 0.00 0.00 176.91 179.85 1u5a h ILE 121 N 1.23 1.01 -0.38 -1.22 2.04 -0.75 0.12 117.51 119.56 1u5a h ILE 121 Ca 0.30 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 1u5a h ILE 121 Cb 0.08 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1u5a h ILE 121 CO -0.04 0.05 0.18 -0.08 0.00 0.00 0.00 178.15 178.25 1u5a h GLU 122 N 0.26 0.55 -0.46 2.37 4.81 -0.91 -1.87 114.58 119.34 1u5a h GLU 122 Ca 0.09 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1u5a h GLU 122 Cb 0.01 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1u5a h GLU 122 CO -0.05 0.50 -0.01 0.82 -0.73 0.00 0.00 179.01 179.54 1u5a h ILE 123 N 0.47 1.26 -0.74 2.32 2.04 -1.03 -2.78 117.51 119.05 1u5a h ILE 123 Ca 0.13 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 64.96 1u5a h ILE 123 Cb 0.13 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1u5a h ILE 123 CO -0.02 0.37 0.46 1.23 0.00 0.00 0.00 178.15 180.20 1u5a h GLY 124 N 0.66 1.08 0.96 5.37 0.00 -0.54 -0.33 103.07 110.27 1u5a h GLY 124 Ca 0.13 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.13 1u5a h GLY 124 CO 0.02 0.29 0.61 -1.33 0.00 0.00 0.00 176.54 176.13 1u5a h GLY 125 N 0.90 1.33 1.47 4.60 0.00 -1.19 -0.71 103.07 109.46 1u5a h GLY 125 Ca 0.30 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 1u5a h GLY 125 CO -0.12 0.45 -0.49 0.45 0.00 0.00 0.00 176.54 176.83 1u5a h HIS 126 N 1.23 0.70 -0.42 5.60 -0.00 -1.11 -2.29 115.15 118.85 1u5a h HIS 126 Ca 0.35 -0.23 -0.04 0.00 -0.00 0.00 0.00 60.37 60.45 1u5a h HIS 126 Cb -0.09 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.16 1u5a h HIS 126 CO -0.01 0.95 0.12 0.82 -0.00 0.00 0.00 177.93 179.81 1u5a h ILE 127 N 0.45 1.23 -0.88 2.45 2.04 -0.74 0.14 117.51 122.20 1u5a h ILE 127 Ca 0.02 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.13 1u5a h ILE 127 Cb 1.02 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 1u5a h ILE 127 CO 0.09 0.27 0.58 0.50 0.00 0.00 0.00 178.15 179.60 1u5a h LYS 128 N 0.55 1.14 -0.02 2.37 3.64 -1.07 0.01 116.57 123.19 1u5a h LYS 128 Ca 0.13 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1u5a h LYS 128 Cb 0.29 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1u5a h LYS 128 CO -0.00 0.75 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.60 1u5a h LYS 129 N 1.18 0.11 0.01 1.90 3.64 -1.18 -3.38 116.57 118.85 1u5a h LYS 129 Ca 0.33 -0.09 -0.36 0.00 -1.27 0.00 0.00 60.65 59.25 1u5a h LYS 129 Cb -0.11 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.67 1u5a h LYS 129 CO -0.08 0.78 -2.25 0.09 -2.27 0.00 0.00 179.45 175.71 1u5a n ASN 130 N -4.64 0.84 -2.99 4.20 3.02 0.47 -4.76 115.26 111.40 1u5a n ASN 130 Ca -0.09 0.06 -0.14 0.00 -0.03 0.00 0.00 54.58 54.38 1u5a n ASN 130 Cb 0.40 0.29 0.02 0.00 -0.61 0.00 0.00 39.78 39.89 1u5a n ASN 130 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u5a h PRO 132 N 2.99 0.00 -0.58 0.00 0.13 -1.60 -1.67 132.00 131.27 1u5a h PRO 132 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1u5a h PRO 132 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1u5a h PRO 132 CO 0.34 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.20 1u5a n ASN 132 N -2.52 3.74 -4.77 1.44 5.03 -1.26 -4.79 115.26 112.12 1u5a n ASN 132 Ca -0.01 -2.00 -0.36 0.00 0.87 0.00 0.00 54.58 53.09 1u5a n ASN 132 Cb 0.12 -0.38 0.01 0.00 -1.02 0.00 0.00 39.78 38.50 1u5a n ASN 132 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1u5a s ALA 133 N -1.23 2.69 -0.12 5.41 0.00 -0.63 -4.97 121.76 122.91 1u5a s ALA 133 Ca 0.45 0.90 -0.21 0.00 0.00 0.00 0.00 51.96 53.10 1u5a s ALA 133 Cb 0.24 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1u5a s ALA 133 CO 0.33 -0.87 0.60 0.12 0.00 0.00 0.00 175.76 175.93 1u5a s PHE 134 N -1.69 3.49 -0.12 0.00 5.36 -0.29 -4.90 117.98 119.84 1u5a s PHE 134 Ca 0.73 1.02 -0.01 0.00 -0.96 0.00 0.00 56.93 57.71 1u5a s PHE 134 Cb -0.26 -2.71 -0.02 0.00 -0.34 0.00 0.00 43.02 39.69 1u5a s PHE 134 CO 0.30 0.04 -0.10 0.42 -1.46 0.00 0.00 175.22 174.42 1u5a s ILE 135 N 1.06 3.34 -0.16 3.12 -1.09 0.09 -1.08 121.20 126.48 1u5a s ILE 135 Ca 0.31 -0.57 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 1u5a s ILE 135 Cb -0.16 -2.41 0.02 0.00 -1.58 0.00 0.00 42.46 38.33 1u5a s ILE 135 CO 0.13 0.53 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.55 1u5a s ILE 136 N 0.13 1.91 -0.15 2.92 1.01 0.23 -1.34 121.20 125.91 1u5a s ILE 136 Ca -0.05 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.68 1u5a s ILE 136 Cb -0.14 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1u5a s ILE 136 CO 0.04 0.52 0.07 -0.69 0.00 0.00 0.00 174.94 174.88 1u5a s VAL 137 N 1.21 4.92 -0.03 2.92 1.01 -0.25 -0.89 120.40 129.29 1u5a s VAL 137 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1u5a s VAL 137 Cb -0.14 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1u5a s VAL 137 CO -0.09 0.53 -0.01 0.52 0.00 0.00 0.00 175.10 176.05 1u5a n VAL 138 N 2.83 0.19 -1.55 2.92 0.31 -0.17 -1.39 118.33 121.48 1u5a n VAL 138 Ca -0.18 -0.10 -0.53 0.00 -0.01 0.00 0.00 64.34 63.53 1u5a n VAL 138 Cb 0.53 -0.78 -0.06 0.00 -0.91 0.00 0.00 33.84 32.62 1u5a n VAL 138 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1u5a n THR 139 N -2.34 0.38 -3.71 2.52 -1.04 -1.15 -4.56 114.28 104.39 1u5a n THR 139 Ca -0.05 -0.10 -0.30 0.00 -2.04 0.00 0.00 64.05 61.56 1u5a n THR 139 Cb 0.58 -0.55 -0.04 0.00 -1.82 0.00 0.00 70.33 68.50 1u5a n THR 139 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1u5a s ASN 140 N 0.12 6.43 -0.12 8.00 0.01 -1.26 -2.85 114.94 125.27 1u5a s ASN 140 Ca 0.82 0.47 -0.30 0.00 -0.71 0.00 0.00 52.86 53.14 1u5a s ASN 140 Cb -1.01 -2.04 -0.02 0.00 0.41 0.00 0.00 41.25 38.59 1u5a s ASN 140 CO 0.52 0.03 1.15 -2.16 -1.51 0.00 0.00 177.10 175.12 1u5a s PRO 141 N -2.92 4.32 0.38 -0.60 0.04 -1.26 -4.96 135.00 130.01 1u5a s PRO 141 Ca 0.39 1.56 0.06 0.00 0.04 0.00 0.00 61.00 63.05 1u5a s PRO 141 Cb -0.12 -3.62 0.75 0.00 0.04 0.00 0.00 34.50 31.55 1u5a s PRO 141 CO 0.27 -0.51 1.98 -0.24 0.04 0.00 0.00 177.00 178.54 1u5a h VAL 142 N 5.22 1.15 0.00 -0.36 3.04 -1.77 -1.40 116.25 122.12 1u5a h VAL 142 Ca -0.29 -0.44 -0.06 0.00 -1.01 0.00 0.00 66.70 64.90 1u5a h VAL 142 Cb 1.13 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 1u5a h VAL 142 CO 0.91 0.17 -0.27 0.44 -1.01 0.00 0.00 177.57 177.81 1u5a h ASP 143 N 0.54 0.00 0.01 3.17 3.32 -1.90 -0.22 116.42 121.33 1u5a h ASP 143 Ca 0.14 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1u5a h ASP 143 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1u5a h ASP 143 CO -0.02 0.27 -0.00 0.58 -1.72 0.00 0.00 179.24 178.36 1u5a h VAL 144 N 0.00 1.45 -0.25 -1.35 2.07 -1.62 -3.35 116.25 113.21 1u5a h VAL 144 Ca -0.00 -2.04 -0.08 0.00 0.82 0.00 0.00 66.70 65.40 1u5a h VAL 144 Cb 0.85 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 1u5a h VAL 144 CO 0.04 0.48 -0.18 0.24 0.02 0.00 0.00 177.57 178.17 1u5a h MET 145 N -0.98 0.44 -0.68 1.57 2.86 -1.04 -2.05 114.93 115.05 1u5a h MET 145 Ca -0.00 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1u5a h MET 145 Cb 0.80 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 1u5a h MET 145 CO 0.00 0.61 0.26 -0.24 1.06 0.00 0.00 176.91 178.59 1u5a h VAL 146 N 0.40 1.25 -0.32 -2.22 3.04 -1.23 -1.10 116.25 116.07 1u5a h VAL 146 Ca 0.07 -0.79 -0.16 0.00 -1.01 0.00 0.00 66.70 64.81 1u5a h VAL 146 Cb 0.55 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.31 1u5a h VAL 146 CO 0.04 0.31 -0.45 -0.61 -1.01 0.00 0.00 177.57 175.85 1u5a h GLN 147 N 0.97 0.83 -0.43 4.17 4.15 -1.57 -0.71 115.11 122.52 1u5a h GLN 147 Ca 0.22 -0.47 0.02 0.00 0.77 0.00 0.00 58.65 59.20 1u5a h GLN 147 Cb 0.23 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1u5a h GLN 147 CO -0.02 1.10 0.24 -0.07 -1.93 0.00 0.00 178.83 178.16 1u5a h LEU 148 N 0.66 0.38 -0.81 -2.39 3.38 -1.15 -1.07 115.31 114.32 1u5a h LEU 148 Ca 0.04 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1u5a h LEU 148 Cb 1.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1u5a h LEU 148 CO 0.10 0.27 0.05 0.25 0.09 0.00 0.00 178.44 179.20 1u5a h LEU 149 N 0.48 0.91 -0.19 1.67 5.85 -1.09 -1.63 115.31 121.31 1u5a h LEU 149 Ca 0.18 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1u5a h LEU 149 Cb 0.04 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1u5a h LEU 149 CO -0.10 0.94 -0.05 -0.74 -0.34 0.00 0.00 178.44 178.15 1u5a h HIS 150 N 0.89 -0.11 -0.71 1.25 2.76 -0.66 0.69 115.15 119.26 1u5a h HIS 150 Ca 0.17 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 1u5a h HIS 150 Cb 0.45 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 1u5a h HIS 150 CO 0.03 -0.08 0.17 1.96 -1.30 0.00 0.00 177.93 178.70 1u5a h GLN 151 N -0.00 1.14 0.00 5.26 4.20 -0.95 -2.48 115.11 122.28 1u5a h GLN 151 Ca 0.09 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1u5a h GLN 151 Cb 0.14 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1u5a h GLN 151 CO -0.20 1.01 -0.50 0.45 -0.67 0.00 0.00 178.83 178.92 1u5a h HIS 152 N 1.08 0.00 0.00 2.96 3.86 -1.02 -3.30 115.15 118.73 1u5a h HIS 152 Ca 0.22 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 1u5a h HIS 152 Cb 0.38 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1u5a h HIS 152 CO 0.03 0.00 -1.07 0.66 0.86 0.00 0.00 177.93 178.41 1u5a h SER 153 N 0.00 0.00 0.00 2.45 4.64 -0.81 -3.31 113.55 116.52 1u5a h SER 153 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u5a h SER 153 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1u5a h SER 153 CO 0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 1u5a n GLY 154 N 1.29 0.42 3.79 -0.77 0.00 -0.94 -3.87 105.19 105.10 1u5a n GLY 154 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1u5a n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u5a s VAL 155 N -2.05 3.56 0.71 1.61 -7.23 -1.25 -5.00 120.40 110.74 1u5a s VAL 155 Ca 0.00 0.58 -0.16 0.00 -1.81 0.00 0.00 61.98 60.59 1u5a s VAL 155 Cb 0.00 -3.14 0.03 0.00 0.56 0.00 0.00 36.38 33.82 1u5a s VAL 155 CO 0.00 -0.59 1.21 -2.84 -0.31 0.00 0.00 175.10 172.57 1u5a s PRO 156 N -4.66 2.25 0.49 4.82 0.02 -1.26 -4.91 135.00 131.76 1u5a s PRO 156 Ca 0.62 1.79 0.24 0.00 0.02 0.00 0.00 61.00 63.66 1u5a s PRO 156 Cb -0.17 -1.84 1.30 0.00 0.02 0.00 0.00 34.50 33.80 1u5a s PRO 156 CO 0.50 -1.76 2.03 1.57 -0.33 0.00 0.00 177.00 179.02 1u5a h LYS 157 N -0.12 0.00 -0.01 5.54 2.10 -1.94 -1.06 116.57 121.08 1u5a h LYS 157 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1u5a h LYS 157 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1u5a h LYS 157 CO 0.50 0.15 0.00 0.27 -2.00 0.00 0.00 179.45 178.38 1u5a n ASN 158 N -3.81 0.19 -0.35 7.07 6.94 -1.26 -3.84 115.26 120.19 1u5a n ASN 158 Ca -0.02 -1.17 0.03 0.00 -0.02 0.00 0.00 54.58 53.40 1u5a n ASN 158 Cb 0.25 -0.00 0.09 0.00 -2.36 0.00 0.00 39.78 37.76 1u5a n ASN 158 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1u5a n LYS 159 N -0.80 2.89 -3.77 -3.83 4.76 -0.40 -0.64 118.16 116.37 1u5a n LYS 159 Ca 0.21 -1.85 -0.13 0.00 -2.87 0.00 0.00 58.31 53.67 1u5a n LYS 159 Cb 0.13 -1.18 -0.13 0.00 -1.84 0.00 0.00 35.03 32.01 1u5a n LYS 159 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1u5a s ILE 160 N -1.12 -0.03 0.12 -0.18 2.07 -1.25 -0.73 121.20 120.09 1u5a s ILE 160 Ca 0.14 0.11 -0.03 0.00 -1.41 0.00 0.00 60.65 59.46 1u5a s ILE 160 Cb 0.08 -0.27 -0.03 0.00 0.13 0.00 0.00 42.46 42.37 1u5a s ILE 160 CO 0.08 0.04 0.10 0.27 -1.91 0.00 0.00 174.94 173.53 1u5a s ILE 161 N 0.81 0.12 0.03 2.00 -4.36 -0.45 -4.76 121.20 114.59 1u5a s ILE 161 Ca -0.06 -1.73 0.06 0.00 -0.26 0.00 0.00 60.65 58.65 1u5a s ILE 161 Cb -0.08 -1.87 -0.03 0.00 1.25 0.00 0.00 42.46 41.73 1u5a s ILE 161 CO -0.04 -0.53 -0.13 -0.83 0.24 0.00 0.00 174.94 173.65 1u5a s GLY 162 N -3.00 1.66 0.02 6.27 0.00 -0.13 -1.09 107.32 111.05 1u5a s GLY 162 Ca 0.19 -1.13 -0.30 0.00 0.00 0.00 0.00 44.72 43.47 1u5a s GLY 162 CO -0.01 -1.02 1.42 -2.27 0.00 0.00 0.00 173.10 171.22 1u5a s LEU 163 N -1.50 4.33 0.00 0.66 2.96 -0.49 -1.39 118.68 123.25 1u5a s LEU 163 Ca 0.16 2.17 0.00 0.00 -0.22 0.00 0.00 54.13 56.25 1u5a s LEU 163 Cb -0.11 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1u5a s LEU 163 CO 0.07 -0.73 0.00 0.61 -1.32 0.00 0.00 176.35 174.98 1u5a n GLY 164 N 3.66 -1.53 0.30 7.98 0.00 -1.26 -4.85 105.19 109.48 1u5a n GLY 164 Ca 0.13 0.45 -0.00 0.00 0.00 0.00 0.00 46.02 46.60 1u5a n GLY 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u5a h GLY 165 N 0.00 0.76 1.00 -0.02 0.00 -1.73 -1.36 103.07 101.72 1u5a h GLY 165 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1u5a h GLY 165 CO 0.00 0.37 0.37 -2.08 0.00 0.00 0.00 176.54 175.20 1u5a h VAL 166 N 0.70 1.21 0.04 4.60 2.07 -1.72 0.01 116.25 123.15 1u5a h VAL 166 Ca 0.17 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1u5a h VAL 166 Cb 0.18 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1u5a h VAL 166 CO -0.01 0.23 -0.02 0.25 0.02 0.00 0.00 177.57 178.04 1u5a h LEU 167 N 0.92 -0.04 -0.44 2.57 5.85 -1.67 -2.05 115.31 120.45 1u5a h LEU 167 Ca 0.24 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1u5a h LEU 167 Cb 0.04 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1u5a h LEU 167 CO -0.04 0.42 0.22 0.44 -0.34 0.00 0.00 178.44 179.14 1u5a h ASP 168 N -0.52 0.57 0.63 1.25 3.45 -1.22 -2.22 116.42 118.36 1u5a h ASP 168 Ca -0.00 -0.12 -0.04 0.00 0.43 0.00 0.00 57.03 57.29 1u5a h ASP 168 Cb 0.47 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 1u5a h ASP 168 CO 0.01 0.53 -0.21 0.71 -1.57 0.00 0.00 179.24 178.70 1u5a h THR 169 N 0.57 0.66 -0.64 0.35 1.35 -1.06 -2.76 112.91 111.37 1u5a h THR 169 Ca 0.15 -0.94 0.03 0.00 -0.55 0.00 0.00 66.41 65.10 1u5a h THR 169 Cb 0.11 1.60 -0.03 0.00 -1.73 0.00 0.00 68.15 68.09 1u5a h THR 169 CO -0.02 0.21 0.43 0.77 -0.25 0.00 0.00 175.52 176.66 1u5a h SER 170 N 0.00 0.68 -0.08 5.36 4.64 -0.72 0.45 113.55 123.88 1u5a h SER 170 Ca -0.00 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1u5a h SER 170 Cb 0.59 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1u5a h SER 170 CO 0.03 0.48 -0.04 0.03 -0.87 0.00 0.00 176.83 176.46 1u5a h ARG 171 N 0.80 0.18 -0.26 4.77 3.08 -1.47 0.05 114.38 121.53 1u5a h ARG 171 Ca 0.25 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1u5a h ARG 171 Cb 0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1u5a h ARG 171 CO -0.07 0.54 0.06 1.25 -1.07 0.00 0.00 179.97 180.69 1u5a h LEU 172 N -0.19 0.40 -0.37 3.04 5.85 -1.39 -0.26 115.31 122.38 1u5a h LEU 172 Ca 0.02 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1u5a h LEU 172 Cb 0.49 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1u5a h LEU 172 CO 0.01 0.53 0.24 0.11 -0.34 0.00 0.00 178.44 179.00 1u5a h LYS 173 N 0.25 0.48 0.00 1.25 1.57 -0.94 -2.21 116.57 116.97 1u5a h LYS 173 Ca 0.08 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1u5a h LYS 173 Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1u5a h LYS 173 CO 0.00 0.32 -0.00 -0.92 -0.57 0.00 0.00 179.45 178.28 1u5a h TYR 174 N 0.49 -0.00 -0.74 -1.35 3.20 -0.62 -1.36 116.97 116.60 1u5a h TYR 174 Ca 0.14 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1u5a h TYR 174 Cb -0.05 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1u5a h TYR 174 CO -0.05 0.08 0.37 1.88 -1.64 0.00 0.00 178.16 178.80 1u5a h TYR 175 N -0.08 1.05 -0.57 -3.82 0.99 -0.96 -1.66 116.97 111.91 1u5a h TYR 175 Ca -0.00 -0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.65 1u5a h TYR 175 Cb 0.08 -0.33 -0.02 0.00 1.00 0.00 0.00 36.73 37.46 1u5a h TYR 175 CO -0.05 0.76 0.20 0.82 -0.00 0.00 0.00 178.16 179.89 1u5a h ILE 176 N 1.03 1.23 -0.41 -2.88 2.04 -1.35 -2.76 117.51 114.41 1u5a h ILE 176 Ca 0.26 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1u5a h ILE 176 Cb 0.09 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1u5a h ILE 176 CO -0.03 0.29 0.25 0.77 0.00 0.00 0.00 178.15 179.42 1u5a h SER 177 N 0.79 0.48 0.44 1.72 4.64 -0.49 -0.21 113.55 120.93 1u5a h SER 177 Ca 0.19 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.27 1u5a h SER 177 Cb 0.25 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1u5a h SER 177 CO -0.01 0.37 -0.91 1.56 -0.87 0.00 0.00 176.83 176.97 1u5a h GLN 178 N 0.56 0.32 -0.34 4.77 1.08 -1.20 0.11 115.11 120.41 1u5a h GLN 178 Ca 0.15 -0.35 -0.06 0.00 -1.45 0.00 0.00 58.65 56.95 1u5a h GLN 178 Cb -0.02 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1u5a h GLN 178 CO -0.03 1.04 -0.01 -0.22 -0.95 0.00 0.00 178.83 178.67 1u5a h LYS 179 N 0.18 0.60 -0.00 1.46 1.63 -1.16 -3.19 116.57 116.09 1u5a h LYS 179 Ca -0.06 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1u5a h LYS 179 Cb 1.54 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.12 1u5a h LYS 179 CO 0.15 0.73 -0.17 1.28 -3.45 0.00 0.00 179.45 177.99 1u5a n LEU 180 N -4.51 0.48 -3.57 5.20 4.77 -0.13 -4.95 117.00 114.29 1u5a n LEU 180 Ca -0.02 0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.79 1u5a n LEU 180 Cb 0.27 -0.22 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1u5a n LEU 180 CO 0.40 0.09 0.08 0.59 -1.33 0.00 0.00 177.39 177.22 1u5a n ASN 181 N -1.06 -2.69 -4.41 -1.43 3.02 0.30 -5.03 115.26 103.97 1u5a n ASN 181 Ca 0.12 -0.68 -0.20 0.00 -0.03 0.00 0.00 54.58 53.79 1u5a n ASN 181 Cb 0.30 -4.72 -0.10 0.00 -0.61 0.00 0.00 39.78 34.65 1u5a n ASN 181 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1u5a s VAL 182 N -3.44 1.61 0.15 2.41 -7.23 -0.73 -5.06 120.40 108.11 1u5a s VAL 182 Ca 0.14 -2.13 -0.33 0.00 -1.81 0.00 0.00 61.98 57.85 1u5a s VAL 182 Cb -0.07 -2.38 -0.13 0.00 0.56 0.00 0.00 36.38 34.37 1u5a s VAL 182 CO 0.76 -0.35 1.68 0.00 -0.31 0.00 0.00 175.10 176.88 1u5a h PRO 184 N 6.77 0.35 0.00 0.00 0.11 -1.90 -0.64 132.00 136.69 1u5a h PRO 184 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1u5a h PRO 184 Cb 1.24 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1u5a h PRO 184 CO 0.92 0.23 -0.02 -0.09 -0.21 0.00 0.00 178.00 178.83 1u5a h ARG 185 N 0.37 0.00 0.00 1.05 9.65 -1.92 -2.21 114.38 121.31 1u5a h ARG 185 Ca 0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.34 1u5a h ARG 185 Cb 0.79 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1u5a h ARG 185 CO -0.49 0.02 0.00 -0.25 2.80 0.00 0.00 179.97 182.06 1u5a n ASP 186 N -3.96 0.02 -4.74 -3.80 8.00 -0.25 -4.57 116.55 107.26 1u5a n ASP 186 Ca -0.03 0.50 -0.38 0.00 0.71 0.00 0.00 54.79 55.60 1u5a n ASP 186 Cb 0.11 -0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 40.64 1u5a n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u5a s VAL 187 N -3.01 5.19 0.10 2.53 1.01 -0.83 -4.19 120.40 121.20 1u5a s VAL 187 Ca 0.09 0.87 0.10 0.00 0.00 0.00 0.00 61.98 63.04 1u5a s VAL 187 Cb 0.13 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1u5a s VAL 187 CO 0.36 0.37 -0.25 0.21 0.00 0.00 0.00 175.10 175.78 1u5a s ASN 188 N 0.40 3.07 0.14 3.32 3.84 -0.51 -4.85 114.94 120.36 1u5a s ASN 188 Ca 0.24 -0.69 -0.24 0.00 0.21 0.00 0.00 52.86 52.38 1u5a s ASN 188 Cb -0.15 -0.22 0.07 0.00 -0.55 0.00 0.00 41.25 40.41 1u5a s ASN 188 CO 0.09 0.17 0.62 0.00 -2.79 0.00 0.00 177.10 175.19 1u5a s ALA 189 N -1.01 -1.62 -0.09 1.71 0.00 -1.26 -1.51 121.76 117.98 1u5a s ALA 189 Ca 0.12 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.66 1u5a s ALA 189 Cb -0.10 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.84 1u5a s ALA 189 CO 0.05 -0.74 -0.14 -1.01 0.00 0.00 0.00 175.76 173.92 1u5a s HIS 190 N -3.54 1.77 -0.10 0.00 3.76 -1.25 -4.95 115.29 110.99 1u5a s HIS 190 Ca 0.00 -0.77 0.01 0.00 -0.15 0.00 0.00 55.06 54.15 1u5a s HIS 190 Cb -0.01 -1.29 0.02 0.00 1.11 0.00 0.00 32.58 32.41 1u5a s HIS 190 CO -0.11 -0.40 -0.11 0.42 -0.85 0.00 0.00 174.74 173.69 1u5a s ILE 191 N 0.89 1.21 0.44 0.60 1.01 -1.26 -2.02 121.20 122.07 1u5a s ILE 191 Ca -0.09 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.14 1u5a s ILE 191 Cb -0.15 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 1u5a s ILE 191 CO 0.01 0.39 0.13 1.33 0.00 0.00 0.00 174.94 176.79 1u5a n VAL 192 N 4.44 0.00 0.00 2.92 0.24 -0.42 -4.65 118.33 120.87 1u5a n VAL 192 Ca -0.17 -2.46 0.00 0.00 -2.04 0.00 0.00 64.34 59.67 1u5a n VAL 192 Cb 0.51 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 1u5a n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u5a n GLY 193 N -0.95 2.04 3.32 7.63 0.00 -0.23 -1.31 105.19 115.69 1u5a n GLY 193 Ca -0.08 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 1u5a n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5a s ALA 194 N -0.00 -0.95 0.72 4.61 0.00 -1.26 -1.67 121.76 123.20 1u5a s ALA 194 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 1u5a s ALA 194 Cb 0.00 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.78 1u5a s ALA 194 CO 0.00 -0.61 1.09 -1.58 0.00 0.00 0.00 175.76 174.66 1u5a s HIS 195 N -3.60 3.24 0.00 0.00 2.46 -1.26 -3.68 115.29 112.45 1u5a s HIS 195 Ca 0.02 1.10 0.00 0.00 0.47 0.00 0.00 55.06 56.65 1u5a s HIS 195 Cb 0.01 -3.05 0.00 0.00 -0.13 0.00 0.00 32.58 29.42 1u5a s HIS 195 CO -0.11 -1.27 0.00 0.41 -2.47 0.00 0.00 174.74 171.31 1u5a n GLY 196 N -2.76 -1.87 0.22 1.59 0.00 -1.26 -4.51 105.19 96.59 1u5a n GLY 196 Ca 0.07 -1.61 0.15 0.00 0.00 0.00 0.00 46.02 44.63 1u5a n GLY 196 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1u5a h ASN 197 N 0.00 0.00 -0.48 1.61 2.35 -1.91 -1.51 115.58 115.64 1u5a h ASN 197 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u5a h ASN 197 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1u5a h ASN 197 CO 0.00 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.07 1u5a n LYS 198 N -2.77 2.36 -1.66 0.81 4.76 -1.26 -4.98 118.16 115.41 1u5a n LYS 198 Ca 0.02 -1.82 -0.43 0.00 -2.87 0.00 0.00 58.31 53.20 1u5a n LYS 198 Cb 0.30 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.01 1u5a n LYS 198 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u5a n MET 199 N 0.87 1.86 -3.51 1.97 0.00 -0.57 -4.50 117.12 113.23 1u5a n MET 199 Ca 0.17 0.65 -0.42 0.00 0.00 0.00 0.00 57.70 58.10 1u5a n MET 199 Cb 0.48 -2.19 -0.10 0.00 0.00 0.00 0.00 33.22 31.41 1u5a n MET 199 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1u5a s VAL 200 N -1.11 5.00 -0.20 3.17 1.01 -0.42 -4.95 120.40 122.89 1u5a s VAL 200 Ca 0.57 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 1u5a s VAL 200 Cb -0.59 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1u5a s VAL 200 CO 0.61 -0.31 0.51 -0.76 0.00 0.00 0.00 175.10 175.15 1u5a s LEU 201 N 1.63 4.15 -0.62 3.92 1.02 -1.26 -1.30 118.68 126.22 1u5a s LEU 201 Ca 0.04 0.68 -0.07 0.00 0.02 0.00 0.00 54.13 54.79 1u5a s LEU 201 Cb -0.20 -2.70 0.16 0.00 0.02 0.00 0.00 46.19 43.47 1u5a s LEU 201 CO 0.08 -0.17 0.48 -0.76 0.02 0.00 0.00 176.35 176.00 1u5a s LEU 202 N 1.59 5.72 0.32 1.79 1.43 -0.85 -4.93 118.68 123.75 1u5a s LEU 202 Ca 0.24 -2.52 0.06 0.00 -1.03 0.00 0.00 54.13 50.88 1u5a s LEU 202 Cb -0.15 -1.98 0.72 0.00 0.03 0.00 0.00 46.19 44.80 1u5a s LEU 202 CO 0.10 -0.51 1.82 0.50 0.23 0.00 0.00 176.35 178.49 1u5a h LYS 203 N 7.64 0.79 0.00 1.70 3.64 -1.95 -1.70 116.57 126.69 1u5a h LYS 203 Ca -0.05 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1u5a h LYS 203 Cb 1.01 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1u5a h LYS 203 CO 0.76 0.52 -0.04 -0.09 -2.27 0.00 0.00 179.45 178.33 1u5a h ARG 204 N 0.81 0.00 -0.61 1.90 2.43 -1.97 -2.84 114.38 114.09 1u5a h ARG 204 Ca 0.51 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.45 1u5a h ARG 204 Cb 0.73 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.14 1u5a h ARG 204 CO -0.29 0.04 0.21 0.66 -1.51 0.00 0.00 179.97 179.09 1u5a n TYR 205 N -3.48 1.96 -3.60 2.20 4.02 -0.64 -4.94 117.16 112.68 1u5a n TYR 205 Ca -0.02 -1.41 -0.37 0.00 -0.01 0.00 0.00 57.90 56.09 1u5a n TYR 205 Cb 0.15 -0.63 -0.06 0.00 -0.02 0.00 0.00 39.34 38.78 1u5a n TYR 205 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1u5a s ILE 206 N -3.11 5.27 0.11 -0.72 1.01 -1.08 -3.85 121.20 118.83 1u5a s ILE 206 Ca 0.51 0.56 0.03 0.00 0.00 0.00 0.00 60.65 61.74 1u5a s ILE 206 Cb 0.42 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1u5a s ILE 206 CO 0.08 0.50 -0.08 0.42 0.00 0.00 0.00 174.94 175.86 1u5a s THR 207 N -0.35 0.82 -0.26 2.92 -4.23 -0.57 -1.58 115.64 112.39 1u5a s THR 207 Ca 0.18 -1.88 0.18 0.00 -1.18 0.00 0.00 61.69 58.99 1u5a s THR 207 Cb -0.14 -1.62 0.49 0.00 1.34 0.00 0.00 72.50 72.56 1u5a s THR 207 CO 0.07 -0.78 1.14 0.52 -0.54 0.00 0.00 174.62 175.03 1u5a n VAL 208 N 0.08 1.65 0.00 2.29 0.31 -1.26 -1.42 118.33 119.97 1u5a n VAL 208 Ca -0.13 -3.26 0.00 0.00 -0.01 0.00 0.00 64.34 60.94 1u5a n VAL 208 Cb 0.60 0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.98 1u5a n VAL 208 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u5a n GLY 209 N -0.60 0.00 3.86 2.92 0.00 -1.26 -4.76 105.19 105.35 1u5a n GLY 209 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1u5a n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u5a s ILE 209 N -0.07 5.47 0.27 -0.61 1.01 -1.26 -5.05 121.20 120.97 1u5a s ILE 209 Ca 0.00 0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.54 1u5a s ILE 209 Cb 0.00 -3.40 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 1u5a s ILE 209 CO 0.00 0.60 1.56 -2.65 0.00 0.00 0.00 174.94 174.45 1u5a n PRO 209 N 2.18 2.54 -0.13 2.79 -0.02 -1.26 -4.26 135.00 136.84 1u5a n PRO 209 Ca -0.19 0.90 0.15 0.00 -2.02 0.00 0.00 63.50 62.34 1u5a n PRO 209 Cb 0.55 -2.66 0.52 0.00 -0.02 0.00 0.00 33.50 31.89 1u5a n PRO 209 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1u5a h LEU 210 N 4.85 0.34 -2.01 2.45 5.85 -1.62 -1.45 115.31 123.72 1u5a h LEU 210 Ca -0.46 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.43 1u5a h LEU 210 Cb 1.24 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1u5a h LEU 210 CO 0.80 0.19 0.39 -0.61 -0.34 0.00 0.00 178.44 178.86 1u5a h GLN 210 N 0.37 0.00 -0.55 1.25 5.75 -1.88 0.12 115.11 120.16 1u5a h GLN 210 Ca 0.33 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.77 1u5a h GLN 210 Cb 0.79 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.32 1u5a h GLN 210 CO -0.10 0.00 0.06 0.93 -2.65 0.00 0.00 178.83 177.08 1u5a h GLU 211 N 0.00 0.89 0.00 1.69 5.08 -1.62 0.70 114.58 121.33 1u5a h GLU 211 Ca 0.25 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 1u5a h GLU 211 Cb 1.02 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1u5a h GLU 211 CO -0.00 0.85 -0.50 0.74 -1.00 0.00 0.00 179.01 179.09 1u5a h PHE 212 N 0.84 0.00 -0.06 4.33 -1.00 -0.94 -1.76 116.94 118.35 1u5a h PHE 212 Ca 0.17 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.91 1u5a h PHE 212 Cb 0.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.97 1u5a h PHE 212 CO 0.02 0.50 -0.13 0.82 -1.61 0.00 0.00 178.31 177.91 1u5a h ILE 213 N 0.00 1.42 -0.79 -0.55 2.04 -0.97 0.13 117.51 118.78 1u5a h ILE 213 Ca -0.01 -1.45 0.12 0.00 1.00 0.00 0.00 64.86 64.53 1u5a h ILE 213 Cb 0.97 2.22 -0.06 0.00 -0.74 0.00 0.00 36.82 39.22 1u5a h ILE 213 CO 0.07 0.40 0.52 0.78 0.00 0.00 0.00 178.15 179.92 1u5a h ASN 214 N -0.29 0.56 0.45 1.72 2.35 -0.70 -1.60 115.58 118.06 1u5a h ASN 214 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1u5a h ASN 214 Cb 0.72 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1u5a h ASN 214 CO 0.03 0.31 -0.04 0.59 -1.65 0.00 0.00 177.43 176.66 1u5a n ASN 215 N -4.51 0.18 -0.56 5.81 3.02 -0.68 -4.94 115.26 113.58 1u5a n ASN 215 Ca 0.14 -0.37 -0.07 0.00 -0.03 0.00 0.00 54.58 54.25 1u5a n ASN 215 Cb 0.42 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 1u5a n ASN 215 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1u5a n LYS 216 N -1.14 -0.84 0.22 3.52 4.76 -0.60 -4.88 118.16 119.19 1u5a n LYS 216 Ca 0.15 0.68 0.10 0.00 -2.87 0.00 0.00 58.31 56.37 1u5a n LYS 216 Cb 0.24 -4.57 0.40 0.00 -1.84 0.00 0.00 35.03 29.26 1u5a n LYS 216 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1u5a h LEU 218 N 0.00 0.00 -7.41 -0.35 3.38 -1.00 -3.44 115.31 106.49 1u5a h LEU 218 Ca -0.15 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 1u5a h LEU 218 Cb 0.64 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.15 1u5a h LEU 218 CO 0.22 0.20 -0.32 -0.51 0.09 0.00 0.00 178.44 178.12 1u5a s ILE 219 N -3.50 0.01 0.23 1.22 2.07 -1.00 -4.88 121.20 115.34 1u5a s ILE 219 Ca 0.02 -0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.22 1u5a s ILE 219 Cb 0.09 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 1u5a s ILE 219 CO 0.64 -0.03 0.37 -0.94 -1.91 0.00 0.00 174.94 173.07 1u5a s SER 220 N -0.02 6.33 0.25 4.50 1.04 -1.26 -3.92 113.70 120.62 1u5a s SER 220 Ca -0.02 0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.58 1u5a s SER 220 Cb -0.03 -1.92 0.44 0.00 0.10 0.00 0.00 66.02 64.62 1u5a s SER 220 CO 0.01 -0.07 1.81 0.44 0.98 0.00 0.00 173.24 176.41 1u5a h ASP 221 N 1.46 0.72 -0.45 7.02 3.32 -1.99 -1.25 116.42 125.25 1u5a h ASP 221 Ca -0.50 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 1u5a h ASP 221 Cb 1.21 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1u5a h ASP 221 CO 0.64 0.39 -0.05 0.00 -1.72 0.00 0.00 179.24 178.50 1u5a h ALA 222 N 1.48 0.95 -0.46 3.45 0.00 -2.00 -0.83 119.26 121.86 1u5a h ALA 222 Ca 0.42 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1u5a h ALA 222 Cb 0.41 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1u5a h ALA 222 CO -0.26 0.62 0.25 0.93 0.00 0.00 0.00 179.25 180.79 1u5a h GLU 223 N 0.81 0.48 -0.31 0.00 5.08 -1.89 -2.38 114.58 116.37 1u5a h GLU 223 Ca 0.14 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1u5a h GLU 223 Cb 0.56 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1u5a h GLU 223 CO 0.03 0.32 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.25 1u5a h LEU 225 N 0.49 0.46 -0.85 1.33 3.38 -0.33 -1.23 115.31 118.57 1u5a h LEU 225 Ca 0.19 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1u5a h LEU 225 Cb 0.07 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1u5a h LEU 225 CO -0.12 0.56 0.44 -0.08 0.09 0.00 0.00 178.44 179.34 1u5a h GLU 226 N 0.47 1.20 -0.28 1.13 4.81 -0.92 0.12 114.58 121.11 1u5a h GLU 226 Ca 0.10 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1u5a h GLU 226 Cb 0.37 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1u5a h GLU 226 CO 0.02 0.90 0.10 0.00 -0.73 0.00 0.00 179.01 179.30 1u5a h ALA 227 N 1.24 0.36 -0.99 2.92 0.00 -1.23 -1.36 119.26 120.19 1u5a h ALA 227 Ca 0.30 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1u5a h ALA 227 Cb 0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1u5a h ALA 227 CO -0.04 -0.03 0.65 0.82 0.00 0.00 0.00 179.25 180.65 1u5a h ILE 228 N 0.30 1.16 -0.41 0.00 2.04 -0.64 -0.16 117.51 119.80 1u5a h ILE 228 Ca 0.09 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1u5a h ILE 228 Cb 0.20 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 1u5a h ILE 228 CO -0.01 0.23 0.15 -0.26 0.00 0.00 0.00 178.15 178.26 1u5a h PHE 229 N 1.24 0.64 -0.81 1.37 0.05 -0.47 -0.36 116.94 118.61 1u5a h PHE 229 Ca 0.40 -0.06 -0.02 0.00 3.82 0.00 0.00 57.97 62.11 1u5a h PHE 229 Cb 0.02 -0.19 -0.04 0.00 2.00 0.00 0.00 35.95 37.75 1u5a h PHE 229 CO -0.00 0.58 0.42 0.22 -0.18 0.00 0.00 178.31 179.35 1u5a h ASP 230 N 0.52 1.03 -0.34 2.17 3.58 -0.89 -1.41 116.42 121.09 1u5a h ASP 230 Ca 0.13 -0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 1u5a h ASP 230 Cb 0.22 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1u5a h ASP 230 CO -0.01 0.85 -0.02 -0.09 -2.88 0.00 0.00 179.24 177.09 1u5a h ARG 231 N 1.13 0.72 0.11 0.28 2.43 -0.67 -1.89 114.38 116.49 1u5a h ARG 231 Ca 0.28 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1u5a h ARG 231 Cb 0.07 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1u5a h ARG 231 CO -0.04 0.75 -0.05 1.15 -1.51 0.00 0.00 179.97 180.26 1u5a h THR 232 N 0.67 0.97 -1.01 0.20 2.02 -0.55 -0.46 112.91 114.75 1u5a h THR 232 Ca 0.13 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.05 1u5a h THR 232 Cb 0.45 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 1u5a h THR 232 CO 0.02 0.07 0.67 0.58 0.37 0.00 0.00 175.52 177.23 1u5a h VAL 233 N -0.27 1.22 -0.51 3.16 2.07 -1.06 -2.87 116.25 117.99 1u5a h VAL 233 Ca -0.01 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1u5a h VAL 233 Cb 0.22 -0.22 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1u5a h VAL 233 CO 0.02 0.24 0.00 0.59 0.02 0.00 0.00 177.57 178.45 1u5a n ASN 234 N -4.41 4.18 -0.13 0.57 3.02 -0.73 -4.62 115.26 113.15 1u5a n ASN 234 Ca 0.13 -2.46 -0.09 0.00 -0.03 0.00 0.00 54.58 52.13 1u5a n ASN 234 Cb 0.05 -0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 38.66 1u5a n ASN 234 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1u5a h THR 235 N 3.30 1.18 -0.73 3.41 2.02 -0.85 0.83 112.91 122.08 1u5a h THR 235 Ca 0.00 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1u5a h THR 235 Cb 1.35 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 1u5a h THR 235 CO 0.25 0.19 0.45 0.00 0.37 0.00 0.00 175.52 176.78 1u5a h ALA 236 N 1.03 0.93 -0.46 6.16 0.00 -1.84 -0.40 119.26 124.67 1u5a h ALA 236 Ca 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u5a h ALA 236 Cb 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1u5a h ALA 236 CO -0.01 0.39 0.27 1.25 0.00 0.00 0.00 179.25 181.15 1u5a h LEU 237 N 1.00 0.56 -0.75 0.00 5.85 -1.83 -1.17 115.31 118.96 1u5a h LEU 237 Ca 0.26 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1u5a h LEU 237 Cb -0.05 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1u5a h LEU 237 CO -0.05 0.46 0.48 -0.08 -0.34 0.00 0.00 178.44 178.91 1u5a h GLU 238 N 0.61 0.93 -0.35 1.25 4.81 -0.12 0.01 114.58 121.72 1u5a h GLU 238 Ca 0.16 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1u5a h GLU 238 Cb 0.01 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1u5a h GLU 238 CO -0.03 0.61 0.01 0.82 -0.73 0.00 0.00 179.01 179.69 1u5a h ILE 239 N 0.95 1.26 -0.94 2.32 2.04 -0.83 -2.23 117.51 120.08 1u5a h ILE 239 Ca 0.29 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1u5a h ILE 239 Cb -0.03 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1u5a h ILE 239 CO -0.09 0.32 0.55 0.58 0.00 0.00 0.00 178.15 179.51 1u5a h VAL 240 N 0.42 1.26 0.00 1.67 2.07 -0.91 -2.03 116.25 118.72 1u5a h VAL 240 Ca 0.10 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1u5a h VAL 240 Cb 0.44 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1u5a h VAL 240 CO 0.02 0.28 0.00 0.78 0.02 0.00 0.00 177.57 178.67 1u5a h ASN 241 N 1.30 0.00 -0.23 0.57 2.35 -0.86 -1.08 115.58 117.63 1u5a h ASN 241 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1u5a h ASN 241 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1u5a h ASN 241 CO -0.06 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.90 1u5a n LEU 242 N -2.75 1.30 -2.36 1.61 4.77 -0.81 -4.92 117.00 113.84 1u5a n LEU 242 Ca 0.02 -0.64 -0.16 0.00 -0.03 0.00 0.00 56.01 55.19 1u5a n LEU 242 Cb 0.32 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1u5a n LEU 242 CO 0.26 0.32 0.04 1.41 -1.33 0.00 0.00 177.39 178.09 1u5a n HIS 243 N 0.19 -1.58 -4.42 -1.77 8.25 -0.41 -5.03 115.22 110.45 1u5a n HIS 243 Ca 0.09 0.46 -0.20 0.00 -0.26 0.00 0.00 57.72 57.82 1u5a n HIS 243 Cb 0.21 -3.63 -0.05 0.00 1.12 0.00 0.00 29.99 27.64 1u5a n HIS 243 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u5a n ALA 244 N -3.35 0.36 -3.01 -1.41 0.00 -0.91 -5.04 120.51 107.15 1u5a n ALA 244 Ca -0.06 -1.51 -0.11 0.00 0.00 0.00 0.00 53.44 51.76 1u5a n ALA 244 Cb 0.58 0.94 -0.11 0.00 0.00 0.00 0.00 19.45 20.85 1u5a n ALA 244 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u5a s SER 245 N -2.84 0.07 -0.36 0.00 1.04 -1.26 -3.58 113.70 106.77 1u5a s SER 245 Ca 0.09 -0.19 -0.29 0.00 0.48 0.00 0.00 55.95 56.04 1u5a s SER 245 Cb 0.00 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1u5a s SER 245 CO 0.06 -0.23 1.30 -2.84 0.98 0.00 0.00 173.24 172.51 1u5a s PRO 246 N -0.94 3.79 0.00 4.02 0.02 -1.26 -4.73 135.00 135.90 1u5a s PRO 246 Ca -0.10 1.05 0.00 0.00 0.02 0.00 0.00 61.00 61.97 1u5a s PRO 246 Cb -0.06 -3.92 0.00 0.00 0.02 0.00 0.00 34.50 30.54 1u5a s PRO 246 CO 0.00 -1.28 0.00 2.48 -0.33 0.00 0.00 177.00 177.87 1u5a n TYR 247 N 7.99 0.00 0.01 6.54 4.11 -1.26 -4.84 117.16 129.71 1u5a n TYR 247 Ca 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.92 1u5a n TYR 247 Cb 0.47 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.72 1u5a n TYR 247 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1u5a h VAL 248 N 0.00 1.27 -0.36 -3.48 2.07 -1.92 -2.13 116.25 111.70 1u5a h VAL 248 Ca 0.00 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 1u5a h VAL 248 Cb 0.00 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1u5a h VAL 248 CO 0.00 0.28 0.04 0.00 0.02 0.00 0.00 177.57 177.91 1u5a h ALA 249 N 0.33 0.47 -0.68 1.67 0.00 -1.97 -1.18 119.26 117.90 1u5a h ALA 249 Ca -0.01 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.83 1u5a h ALA 249 Cb 0.51 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 1u5a h ALA 249 CO 0.01 0.19 0.14 -1.35 0.00 0.00 0.00 179.25 178.25 1u5a h PRO 250 N 0.43 0.25 -0.18 0.00 0.11 -1.89 0.08 132.00 130.81 1u5a h PRO 250 Ca 0.11 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1u5a h PRO 250 Cb 0.39 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1u5a h PRO 250 CO 0.01 0.16 0.09 0.00 -0.21 0.00 0.00 178.00 178.06 1u5a h ALA 251 N 1.56 0.23 -0.79 -0.75 0.00 -0.94 -1.27 119.26 117.30 1u5a h ALA 251 Ca 0.37 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1u5a h ALA 251 Cb 0.60 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1u5a h ALA 251 CO -0.47 -0.23 0.36 0.00 0.00 0.00 0.00 179.25 178.91 1u5a h ALA 252 N 0.97 1.13 -0.43 0.00 0.00 -0.81 -0.98 119.26 119.15 1u5a h ALA 252 Ca 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1u5a h ALA 252 Cb 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1u5a h ALA 252 CO -0.01 0.64 0.20 0.00 0.00 0.00 0.00 179.25 180.08 1u5a h ALA 253 N 1.25 0.55 -0.44 0.00 0.00 -0.65 -1.22 119.26 118.74 1u5a h ALA 253 Ca 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1u5a h ALA 253 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1u5a h ALA 253 CO -0.03 0.12 0.25 0.82 0.00 0.00 0.00 179.25 180.41 1u5a h ILE 254 N 0.55 1.16 -0.18 0.00 2.04 -0.75 -2.30 117.51 118.03 1u5a h ILE 254 Ca 0.15 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 1u5a h ILE 254 Cb 0.13 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1u5a h ILE 254 CO -0.02 0.16 -0.13 0.40 0.00 0.00 0.00 178.15 178.56 1u5a h ILE 255 N 0.58 1.19 -0.69 -0.67 1.08 -1.01 0.17 117.51 118.16 1u5a h ILE 255 Ca 0.16 -0.85 -0.05 0.00 -0.39 0.00 0.00 64.86 63.73 1u5a h ILE 255 Cb 0.04 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 1u5a h ILE 255 CO -0.03 0.27 0.25 -0.08 -0.69 0.00 0.00 178.15 177.87 1u5a h GLU 256 N 0.28 1.04 0.05 2.37 4.81 -0.85 0.30 114.58 122.59 1u5a h GLU 256 Ca 0.05 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1u5a h GLU 256 Cb 0.41 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1u5a h GLU 256 CO 0.02 0.89 -0.03 0.52 -0.73 0.00 0.00 179.01 179.68 1u5a h MET 257 N 0.99 -0.07 -0.89 1.92 2.86 -0.80 -2.11 114.93 116.84 1u5a h MET 257 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1u5a h MET 257 Cb 0.25 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 1u5a h MET 257 CO -0.01 0.17 0.57 0.00 1.06 0.00 0.00 176.91 178.70 1u5a h ALA 258 N 0.62 1.13 -0.70 6.32 0.00 -0.44 -2.47 119.26 123.71 1u5a h ALA 258 Ca -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1u5a h ALA 258 Cb 0.28 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1u5a h ALA 258 CO 0.01 0.55 0.17 1.49 0.00 0.00 0.00 179.25 181.47 1u5a h GLU 259 N 1.21 1.13 -0.93 0.00 4.81 -0.38 -0.50 114.58 119.92 1u5a h GLU 259 Ca 0.32 -0.27 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1u5a h GLU 259 Cb -0.11 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.08 1u5a h GLU 259 CO -0.07 0.99 0.61 1.03 -0.73 0.00 0.00 179.01 180.84 1u5a h SER 260 N 1.07 1.03 0.47 1.04 0.87 -0.94 0.52 113.55 117.60 1u5a h SER 260 Ca 0.22 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1u5a h SER 260 Cb 0.38 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1u5a h SER 260 CO 0.00 0.73 -0.22 0.22 -0.53 0.00 0.00 176.83 177.03 1u5a h TYR 261 N 1.21 -0.58 -0.64 2.24 3.20 -1.14 -0.61 116.97 120.65 1u5a h TYR 261 Ca 0.35 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 1u5a h TYR 261 Cb -0.08 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1u5a h TYR 261 CO -0.01 -0.26 0.33 -0.07 -1.64 0.00 0.00 178.16 176.51 1u5a h LEU 262 N -0.88 0.80 -2.31 2.82 3.38 -0.82 -2.65 115.31 115.66 1u5a h LEU 262 Ca -0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1u5a h LEU 262 Cb 0.58 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1u5a h LEU 262 CO 0.11 0.66 0.00 0.29 0.09 0.00 0.00 178.44 179.59 1u5a n LYS 263 N -4.36 2.51 -3.86 1.13 5.02 0.15 -4.97 118.16 113.78 1u5a n LYS 263 Ca 0.06 -2.28 -0.25 0.00 -2.02 0.00 0.00 58.31 53.82 1u5a n LYS 263 Cb 0.11 -1.52 0.01 0.00 -0.02 0.00 0.00 35.03 33.62 1u5a n LYS 263 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1u5a n ASP 264 N 1.48 -1.45 0.15 4.39 2.03 -0.76 -4.88 116.55 117.51 1u5a n ASP 264 Ca 0.20 -0.90 0.02 0.00 0.52 0.00 0.00 54.79 54.63 1u5a n ASP 264 Cb 0.60 -3.58 0.18 0.00 -0.72 0.00 0.00 41.12 37.61 1u5a n ASP 264 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1u5a h LEU 265 N -1.86 0.00 -0.05 -2.67 3.38 -1.33 -3.45 115.31 109.32 1u5a h LEU 265 Ca -0.61 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 56.97 1u5a h LEU 265 Cb 1.37 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.22 1u5a h LEU 265 CO 0.61 0.52 -0.62 0.29 0.09 0.00 0.00 178.44 179.33 1u5a n LYS 266 N -3.47 -6.31 -2.11 1.13 5.02 -0.67 -4.98 118.16 106.78 1u5a n LYS 266 Ca 0.00 0.83 -0.38 0.00 -2.02 0.00 0.00 58.31 56.74 1u5a n LYS 266 Cb 0.63 -5.70 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 1u5a n LYS 266 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1u5a s LYS 267 N -5.98 3.74 -0.36 1.97 1.02 -1.21 -4.64 119.74 114.28 1u5a s LYS 267 Ca 0.44 1.99 -0.24 0.00 0.02 0.00 0.00 55.97 58.18 1u5a s LYS 267 Cb -0.19 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1u5a s LYS 267 CO 0.54 -0.63 0.83 0.08 -0.92 0.00 0.00 175.35 175.26 1u5a s VAL 268 N -1.39 4.69 -0.01 3.17 1.01 -1.26 -1.68 120.40 124.92 1u5a s VAL 268 Ca 0.62 0.99 0.01 0.00 0.00 0.00 0.00 61.98 63.60 1u5a s VAL 268 Cb -0.34 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.80 1u5a s VAL 268 CO 0.42 -0.47 -0.02 -0.76 0.00 0.00 0.00 175.10 174.28 1u5a s LEU 269 N 3.22 1.70 -0.27 3.92 1.43 -0.35 -4.94 118.68 123.39 1u5a s LEU 269 Ca 0.34 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 53.16 1u5a s LEU 269 Cb -0.13 -0.17 -0.00 0.00 0.03 0.00 0.00 46.19 45.91 1u5a s LEU 269 CO 0.17 -0.01 0.79 -0.63 0.23 0.00 0.00 176.35 176.90 1u5a s ILE 270 N 0.33 4.84 0.09 -0.59 1.01 -1.26 -1.34 121.20 124.27 1u5a s ILE 270 Ca -0.03 1.35 -0.03 0.00 0.00 0.00 0.00 60.65 61.94 1u5a s ILE 270 Cb -0.06 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1u5a s ILE 270 CO -0.01 -0.14 0.06 0.00 0.00 0.00 0.00 174.94 174.86 1u5a s SER 272 N -2.95 7.18 0.08 0.00 0.15 -0.48 -1.68 113.70 116.00 1u5a s SER 272 Ca 0.12 1.49 -0.10 0.00 0.70 0.00 0.00 55.95 58.17 1u5a s SER 272 Cb 0.07 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1u5a s SER 272 CO -0.06 -0.54 0.21 0.28 1.20 0.00 0.00 173.24 174.33 1u5a s THR 273 N 2.50 0.13 -0.02 6.45 -1.32 -0.85 -0.96 115.64 121.57 1u5a s THR 273 Ca 0.47 -1.08 -0.30 0.00 -1.21 0.00 0.00 61.69 59.57 1u5a s THR 273 Cb -0.17 -1.27 -0.06 0.00 -1.51 0.00 0.00 72.50 69.49 1u5a s THR 273 CO 0.14 -0.60 1.57 -0.22 -2.21 0.00 0.00 174.62 173.29 1u5a s LEU 274 N -2.75 4.32 -0.01 9.08 2.96 -1.26 -2.11 118.68 128.91 1u5a s LEU 274 Ca 0.03 2.23 -0.21 0.00 -0.22 0.00 0.00 54.13 55.96 1u5a s LEU 274 Cb 0.04 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 1u5a s LEU 274 CO -0.10 -0.86 0.62 -0.76 -1.32 0.00 0.00 176.35 173.93 1u5a s LEU 275 N 3.30 4.40 -0.36 -0.68 1.43 -0.23 -4.98 118.68 121.56 1u5a s LEU 275 Ca 0.70 1.17 0.12 0.00 -1.03 0.00 0.00 54.13 55.09 1u5a s LEU 275 Cb -0.34 -2.96 0.45 0.00 0.03 0.00 0.00 46.19 43.37 1u5a s LEU 275 CO 0.28 0.06 1.07 -0.62 0.23 0.00 0.00 176.35 177.37 1u5a n GLU 276 N 2.90 2.50 0.00 1.70 1.02 -1.23 -2.29 120.64 125.24 1u5a n GLU 276 Ca -0.06 -3.93 0.00 0.00 -0.02 0.00 0.00 57.16 53.15 1u5a n GLU 276 Cb 0.51 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1u5a n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u5a n GLY 277 N -0.38 2.24 3.76 0.62 0.00 0.12 -4.93 105.19 106.62 1u5a n GLY 277 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1u5a n GLY 277 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u5a s GLN 278 N -0.13 4.18 -1.15 1.61 1.11 -1.22 -1.50 119.66 122.57 1u5a s GLN 278 Ca 0.00 2.46 0.00 0.00 0.01 0.00 0.00 55.36 57.83 1u5a s GLN 278 Cb 0.00 -3.03 0.00 0.00 -1.01 0.00 0.00 33.01 28.97 1u5a s GLN 278 CO 0.00 -0.48 0.00 0.66 0.01 0.00 0.00 175.29 175.48 1u5a n TYR 279 N 1.37 0.00 -0.79 0.91 4.01 -1.26 -1.58 117.16 119.82 1u5a n TYR 279 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1u5a n TYR 279 Cb 0.39 -2.55 0.00 0.00 -0.31 0.00 0.00 39.34 36.88 1u5a n TYR 279 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u5a n GLY 280 N -0.25 0.59 3.35 2.72 0.00 -0.56 -4.98 105.19 106.06 1u5a n GLY 280 Ca -0.11 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1u5a n GLY 280 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u5a s HIS 281 N -2.00 2.58 0.18 1.61 3.76 -0.61 -4.92 115.29 115.89 1u5a s HIS 281 Ca 0.00 -0.54 0.03 0.00 -0.15 0.00 0.00 55.06 54.40 1u5a s HIS 281 Cb 0.00 -1.65 -0.05 0.00 1.11 0.00 0.00 32.58 31.99 1u5a s HIS 281 CO 0.00 -0.10 -0.01 -1.12 -0.85 0.00 0.00 174.74 172.66 1u5a s SER 282 N -0.24 1.44 -1.56 1.40 0.01 -1.26 0.15 113.70 113.63 1u5a s SER 282 Ca -0.00 -1.17 -0.05 0.00 1.31 0.00 0.00 55.95 56.04 1u5a s SER 282 Cb -0.13 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.18 1u5a s SER 282 CO 0.03 -0.53 0.64 0.47 0.41 0.00 0.00 173.24 174.26 1u5a n ASP 283 N -0.28 -6.16 -3.53 2.44 9.92 -0.97 -4.95 116.55 113.01 1u5a n ASP 283 Ca -0.07 -0.30 -0.11 0.00 -0.53 0.00 0.00 54.79 53.78 1u5a n ASP 283 Cb 0.63 -4.97 -0.03 0.00 -0.64 0.00 0.00 41.12 36.10 1u5a n ASP 283 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1u5a s ILE 285 N -3.19 0.04 -0.01 0.53 1.10 -1.25 -5.04 121.20 113.37 1u5a s ILE 285 Ca 0.32 -0.30 -0.02 0.00 -0.51 0.00 0.00 60.65 60.14 1u5a s ILE 285 Cb -0.14 -1.08 -0.04 0.00 0.15 0.00 0.00 42.46 41.35 1u5a s ILE 285 CO 0.39 -0.16 0.13 -0.36 -2.11 0.00 0.00 174.94 172.83 1u5a s PHE 286 N -3.76 3.42 0.15 3.50 0.40 -1.26 -1.07 117.98 119.36 1u5a s PHE 286 Ca 0.02 0.28 -0.21 0.00 -0.60 0.00 0.00 56.93 56.42 1u5a s PHE 286 Cb 0.00 -1.78 0.06 0.00 0.51 0.00 0.00 43.02 41.81 1u5a s PHE 286 CO -0.12 0.60 0.55 0.20 0.70 0.00 0.00 175.22 177.15 1u5a s GLY 287 N -1.83 -0.53 -0.03 4.36 0.00 -0.90 -4.86 107.32 103.54 1u5a s GLY 287 Ca 0.25 0.36 -0.30 0.00 0.00 0.00 0.00 44.72 45.02 1u5a s GLY 287 CO 0.16 0.04 1.15 -0.32 0.00 0.00 0.00 173.10 174.13 1u5a s GLY 288 N -2.75 2.31 0.01 0.20 0.00 -0.67 -2.01 107.32 104.40 1u5a s GLY 288 Ca 0.01 0.63 -0.27 0.00 0.00 0.00 0.00 44.72 45.09 1u5a s GLY 288 CO -0.13 2.07 0.62 -1.08 0.00 0.00 0.00 173.10 174.59 1u5a s THR 289 N 1.77 0.01 0.23 0.90 -1.32 -0.68 -1.07 115.64 115.49 1u5a s THR 289 Ca 0.55 -0.06 -0.32 0.00 -1.21 0.00 0.00 61.69 60.66 1u5a s THR 289 Cb -0.24 -0.98 -0.12 0.00 -1.51 0.00 0.00 72.50 69.64 1u5a s THR 289 CO 0.24 -0.03 1.64 -0.81 -2.21 0.00 0.00 174.62 173.44 1u5a n PRO 290 N 0.58 2.61 -4.40 7.08 -0.04 -1.26 -2.03 135.00 137.54 1u5a n PRO 290 Ca -0.19 0.93 -0.20 0.00 -0.04 0.00 0.00 63.50 64.01 1u5a n PRO 290 Cb 0.59 -2.73 -0.10 0.00 -0.04 0.00 0.00 33.50 31.21 1u5a n PRO 290 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1u5a s VAL 291 N 0.65 1.21 -0.23 0.52 -7.23 -0.45 -0.81 120.40 114.07 1u5a s VAL 291 Ca 0.71 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.79 1u5a s VAL 291 Cb -0.54 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 33.81 1u5a s VAL 291 CO 0.40 -0.17 0.03 -0.69 -0.31 0.00 0.00 175.10 174.35 1u5a s VAL 292 N -3.29 3.99 -0.28 1.32 1.01 -0.50 -1.21 120.40 121.45 1u5a s VAL 292 Ca 0.32 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 1u5a s VAL 292 Cb 0.07 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1u5a s VAL 292 CO 0.12 0.38 0.09 -0.76 0.00 0.00 0.00 175.10 174.93 1u5a s LEU 293 N 1.46 3.69 0.00 3.92 1.43 -0.68 -0.82 118.68 127.68 1u5a s LEU 293 Ca 0.05 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1u5a s LEU 293 Cb -0.15 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1u5a s LEU 293 CO 0.01 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1u5a n GLY 294 N 4.92 4.93 0.30 -3.19 0.00 -0.51 -1.66 105.19 109.98 1u5a n GLY 294 Ca -0.15 -1.31 0.15 0.00 0.00 0.00 0.00 46.02 44.71 1u5a n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5a h ALA 295 N 1.13 1.53 -0.45 4.61 0.00 -1.79 -0.02 119.26 124.26 1u5a h ALA 295 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1u5a h ALA 295 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u5a h ALA 295 CO 0.00 0.00 0.01 0.09 0.00 0.00 0.00 179.25 179.35 1u5a n ASN 296 N -3.85 4.65 0.00 0.00 3.02 -1.26 -5.04 115.26 112.78 1u5a n ASN 296 Ca -0.03 -2.73 0.00 0.00 -0.03 0.00 0.00 54.58 51.79 1u5a n ASN 296 Cb 0.08 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 1u5a n ASN 296 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u5a n GLY 297 N 0.46 0.29 3.55 7.41 0.00 -0.02 -4.50 105.19 112.38 1u5a n GLY 297 Ca 0.22 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 1u5a n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u5a s VAL 298 N 0.00 3.55 0.05 1.61 1.01 0.19 -1.42 120.40 125.39 1u5a s VAL 298 Ca 0.00 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1u5a s VAL 298 Cb 0.00 -4.42 -0.25 0.00 0.00 0.00 0.00 36.38 31.72 1u5a s VAL 298 CO 0.00 -1.35 1.03 -0.33 0.00 0.00 0.00 175.10 174.45 1u5a h GLU 299 N 12.41 0.12 -3.34 2.72 5.08 -1.21 -3.45 114.58 126.92 1u5a h GLU 299 Ca -0.27 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 57.72 1u5a h GLU 299 Cb 1.11 0.08 -0.24 0.00 0.50 0.00 0.00 28.75 30.19 1u5a h GLU 299 CO 1.24 0.99 -0.49 -0.65 -1.00 0.00 0.00 179.01 179.10 1u5a s GLN 301 N -2.66 0.31 -0.23 2.33 -0.21 -1.23 -4.98 119.66 112.99 1u5a s GLN 301 Ca -0.04 0.05 -0.06 0.00 0.02 0.00 0.00 55.36 55.34 1u5a s GLN 301 Cb 0.08 0.14 -0.02 0.00 1.00 0.00 0.00 33.01 34.21 1u5a s GLN 301 CO 0.84 -0.06 0.01 0.08 -2.12 0.00 0.00 175.29 174.05 1u5a s VAL 302 N -0.38 3.92 -0.22 1.09 1.01 -1.26 -1.41 120.40 123.15 1u5a s VAL 302 Ca -0.05 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 1u5a s VAL 302 Cb -0.03 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1u5a s VAL 302 CO 0.01 0.39 0.25 -0.63 0.00 0.00 0.00 175.10 175.12 1u5a s ILE 303 N 1.38 5.31 -0.33 2.22 -1.09 0.01 -5.01 121.20 123.70 1u5a s ILE 303 Ca 0.05 0.38 -0.11 0.00 -2.23 0.00 0.00 60.65 58.74 1u5a s ILE 303 Cb -0.15 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.14 1u5a s ILE 303 CO 0.01 0.33 0.19 -0.70 -1.23 0.00 0.00 174.94 173.54 1u5a s GLU 304 N 1.04 3.35 0.35 2.79 2.12 -1.26 -4.16 118.70 122.93 1u5a s GLU 304 Ca 0.12 -0.72 -0.27 0.00 0.36 0.00 0.00 54.97 54.45 1u5a s GLU 304 Cb -0.14 -3.68 -0.09 0.00 0.26 0.00 0.00 34.13 30.48 1u5a s GLU 304 CO 0.05 -0.46 1.18 -0.51 -0.54 0.00 0.00 175.26 174.99 1u5a s LEU 305 N 1.65 4.35 -1.34 2.70 1.43 -1.26 -4.92 118.68 121.30 1u5a s LEU 305 Ca 0.05 2.41 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 1u5a s LEU 305 Cb -0.17 -3.82 0.12 0.00 0.03 0.00 0.00 46.19 42.35 1u5a s LEU 305 CO 0.08 -0.49 1.97 0.00 0.23 0.00 0.00 176.35 178.15 1u5a n GLN 306 N 0.57 3.32 -2.00 1.70 6.02 -1.26 -4.94 117.38 120.80 1u5a n GLN 306 Ca 0.02 -3.21 -0.35 0.00 -0.01 0.00 0.00 57.00 53.45 1u5a n GLN 306 Cb 0.45 -3.08 0.03 0.00 1.02 0.00 0.00 30.24 28.66 1u5a n GLN 306 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u5a s LEU 307 N 0.92 3.61 0.80 1.08 1.43 -1.26 -5.06 118.68 120.20 1u5a s LEU 307 Ca 0.43 2.23 -0.04 0.00 -1.03 0.00 0.00 54.13 55.72 1u5a s LEU 307 Cb 0.10 -4.58 0.16 0.00 0.03 0.00 0.00 46.19 41.90 1u5a s LEU 307 CO -0.03 -1.53 1.10 0.54 0.23 0.00 0.00 176.35 176.66 1u5a s ASN 308 N -1.89 3.91 0.36 2.29 2.20 -1.26 -4.83 114.94 115.73 1u5a s ASN 308 Ca 0.73 -0.29 0.08 0.00 -0.94 0.00 0.00 52.86 52.44 1u5a s ASN 308 Cb -0.26 0.07 0.69 0.00 -2.00 0.00 0.00 41.25 39.75 1u5a s ASN 308 CO 0.34 -2.17 1.86 0.77 -2.94 0.00 0.00 177.10 174.96 1u5a h SER 309 N -0.86 0.26 0.13 3.54 4.64 -1.98 -0.02 113.55 119.24 1u5a h SER 309 Ca -0.37 -0.06 -0.18 0.00 -0.47 0.00 0.00 61.79 60.70 1u5a h SER 309 Cb 1.25 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1u5a h SER 309 CO 0.37 0.46 -0.68 -0.33 -0.87 0.00 0.00 176.83 175.78 1u5a h GLU 310 N 0.25 0.51 -0.10 4.77 3.07 -2.00 -1.01 114.58 120.07 1u5a h GLU 310 Ca 0.05 -0.39 -0.20 0.00 -0.50 0.00 0.00 59.36 58.32 1u5a h GLU 310 Cb 0.47 0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1u5a h GLU 310 CO 0.03 1.01 -0.72 0.93 -1.40 0.00 0.00 179.01 178.86 1u5a h GLU 311 N 0.36 0.66 -0.55 2.33 5.08 -1.86 -2.98 114.58 117.62 1u5a h GLU 311 Ca -0.02 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 57.76 1u5a h GLU 311 Cb 1.26 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 1u5a h GLU 311 CO 0.12 1.19 0.34 -0.22 -1.00 0.00 0.00 179.01 179.44 1u5a h LYS 312 N 0.32 0.74 -0.68 2.33 3.64 -0.92 -1.39 116.57 120.60 1u5a h LYS 312 Ca -0.06 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1u5a h LYS 312 Cb 1.37 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1u5a h LYS 312 CO 0.15 0.52 0.44 0.00 -2.27 0.00 0.00 179.45 178.28 1u5a h ALA 313 N 1.61 0.88 -0.08 5.00 0.00 -1.04 0.13 119.26 125.76 1u5a h ALA 313 Ca 0.20 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1u5a h ALA 313 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1u5a h ALA 313 CO -0.04 0.23 -0.52 0.87 0.00 0.00 0.00 179.25 179.79 1u5a h LYS 314 N 0.87 0.23 -0.69 0.00 1.79 -1.25 -2.31 116.57 115.21 1u5a h LYS 314 Ca 0.27 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.57 1u5a h LYS 314 Cb -0.03 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 1u5a h LYS 314 CO -0.09 0.69 0.31 0.35 -1.08 0.00 0.00 179.45 179.63 1u5a h PHE 315 N 0.18 1.01 -0.70 -1.35 3.57 -0.83 -2.47 116.94 116.35 1u5a h PHE 315 Ca 0.00 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1u5a h PHE 315 Cb 0.98 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1u5a h PHE 315 CO 0.02 0.77 0.40 -0.44 -2.23 0.00 0.00 178.31 176.83 1u5a h ASP 316 N 0.96 0.86 -0.54 0.41 3.32 -0.63 -1.95 116.42 118.85 1u5a h ASP 316 Ca 0.23 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1u5a h ASP 316 Cb 0.16 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1u5a h ASP 316 CO -0.03 0.70 0.28 -0.33 -1.72 0.00 0.00 179.24 178.15 1u5a h GLU 317 N 0.96 0.80 -0.21 3.56 5.08 -1.15 -0.91 114.58 122.72 1u5a h GLU 317 Ca 0.25 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1u5a h GLU 317 Cb 0.01 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1u5a h GLU 317 CO -0.04 0.62 0.04 0.00 -1.00 0.00 0.00 179.01 178.62 1u5a h ALA 318 N 1.51 0.28 -0.66 3.43 0.00 -0.95 -2.46 119.26 120.42 1u5a h ALA 318 Ca 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1u5a h ALA 318 Cb 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1u5a h ALA 318 CO -0.03 -0.06 0.29 0.82 0.00 0.00 0.00 179.25 180.27 1u5a h ILE 319 N 0.15 1.23 -0.85 0.00 1.08 -1.17 -2.03 117.51 115.91 1u5a h ILE 319 Ca 0.06 -0.69 0.07 0.00 -0.39 0.00 0.00 64.86 63.91 1u5a h ILE 319 Cb 0.30 0.46 -0.06 0.00 -3.07 0.00 0.00 36.82 34.46 1u5a h ILE 319 CO 0.00 0.28 0.55 0.00 -0.69 0.00 0.00 178.15 178.30 1u5a h ALA 320 N 1.13 1.58 -0.15 1.87 0.00 -1.04 -0.10 119.26 122.55 1u5a h ALA 320 Ca 0.22 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 1u5a h ALA 320 Cb 0.17 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1u5a h ALA 320 CO -0.02 0.28 -0.63 1.49 0.00 0.00 0.00 179.25 180.37 1u5a h GLU 321 N 0.93 0.70 -0.70 0.00 4.57 -1.11 -0.89 114.58 118.08 1u5a h GLU 321 Ca 0.37 -0.55 0.04 0.00 -1.18 0.00 0.00 59.36 58.04 1u5a h GLU 321 Cb 0.24 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.89 1u5a h GLU 321 CO -0.14 1.16 0.43 1.15 -1.18 0.00 0.00 179.01 180.43 1u5a h THR 322 N 0.39 1.07 -0.65 0.32 2.02 -0.69 -1.85 112.91 113.52 1u5a h THR 322 Ca -0.04 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 1u5a h THR 322 Cb 1.26 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1u5a h THR 322 CO 0.13 0.15 0.15 0.11 0.37 0.00 0.00 175.52 176.43 1u5a h LYS 323 N 0.82 1.04 -0.29 6.66 1.57 -0.87 -0.05 116.57 125.45 1u5a h LYS 323 Ca 0.29 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1u5a h LYS 323 Cb 0.06 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1u5a h LYS 323 CO -0.12 0.94 0.15 -0.09 -0.57 0.00 0.00 179.45 179.75 1u5a h ARG 324 N 0.96 0.30 -0.03 3.15 2.43 -0.82 -2.08 114.38 118.28 1u5a h ARG 324 Ca 0.20 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.22 1u5a h ARG 324 Cb 0.37 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1u5a h ARG 324 CO 0.00 0.20 -0.58 0.52 -1.51 0.00 0.00 179.97 178.60 1u5a h MET 325 N 0.31 0.11 -0.50 0.20 2.86 -1.18 -2.89 114.93 113.83 1u5a h MET 325 Ca 0.12 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1u5a h MET 325 Cb 0.04 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1u5a h MET 325 CO -0.08 0.66 -0.01 -0.22 1.06 0.00 0.00 176.91 178.32 1u5a h LYS 326 N 0.08 0.85 -0.56 1.72 3.64 -0.73 -2.10 116.57 119.47 1u5a h LYS 326 Ca -0.00 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.07 1u5a h LYS 326 Cb 1.04 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1u5a h LYS 326 CO 0.08 0.85 0.07 0.00 -2.27 0.00 0.00 179.45 178.19 1u5a h ALA 327 N 1.20 0.75 0.00 5.00 0.00 -1.23 -2.69 119.26 122.29 1u5a h ALA 327 Ca 0.15 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1u5a h ALA 327 Cb 0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1u5a h ALA 327 CO 0.02 0.51 -0.18 -0.07 0.00 0.00 0.00 179.25 179.53 1u5a h LEU 328 N 0.83 0.00 -1.41 0.00 3.38 -1.31 -3.15 115.31 113.66 1u5a h LEU 328 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1u5a h LEU 328 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1u5a h LEU 328 CO 0.01 0.18 -0.24 0.00 0.09 0.00 0.00 178.44 178.48 1u5a h ALA 329 N 1.82 1.19 -0.01 1.53 0.00 -1.02 -3.38 119.26 119.38 1u5a h ALA 329 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1u5a h ALA 329 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1u5a h ALA 329 CO 0.02 0.30 0.00 0.72 0.00 0.00 0.00 179.25 180.30