#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hkc h ASP 17 N 0.00 -0.35 0.28 1.67 3.58 -2.05 0.33 116.42 119.89 1hkc h ASP 17 Ca 0.00 0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 1hkc h ASP 17 Cb 0.00 0.40 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 1hkc h ASP 17 CO 0.00 -0.27 -0.18 1.56 -2.88 0.00 0.00 179.24 177.48 1hkc h GLN 18 N 0.07 -0.43 -0.79 0.28 1.08 -1.99 -0.43 115.11 112.91 1hkc h GLN 18 Ca 0.54 0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.87 1hkc h GLN 18 Cb 1.07 0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 28.52 1hkc h GLN 18 CO -0.80 -0.28 0.42 0.28 -0.95 0.00 0.00 178.83 177.50 1hkc h VAL 19 N -0.44 0.85 -0.21 -0.54 2.07 -0.88 0.34 116.25 117.44 1hkc h VAL 19 Ca -0.03 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1hkc h VAL 19 Cb 0.37 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1hkc h VAL 19 CO 0.03 0.13 -0.12 0.50 0.02 0.00 0.00 177.57 178.13 1hkc h LYS 20 N 0.69 0.35 0.00 1.57 1.63 -0.24 -1.50 116.57 119.07 1hkc h LYS 20 Ca 0.39 -0.09 -0.05 0.00 -0.85 0.00 0.00 60.65 60.06 1hkc h LYS 20 Cb 0.42 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1hkc h LYS 20 CO -0.28 0.47 -0.24 0.87 -3.45 0.00 0.00 179.45 176.82 1hkc h LYS 21 N 0.33 0.00 0.17 1.90 1.57 0.76 -3.02 116.57 118.28 1hkc h LYS 21 Ca 0.07 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.55 1hkc h LYS 21 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.73 1hkc h LYS 21 CO 0.02 0.24 -1.45 0.82 -0.57 0.00 0.00 179.45 178.51 1hkc h ILE 22 N 0.00 1.11 -0.92 1.86 1.08 -0.78 -3.11 117.51 116.75 1hkc h ILE 22 Ca -0.00 -2.51 0.15 0.00 -0.39 0.00 0.00 64.86 62.12 1hkc h ILE 22 Cb 0.73 2.86 -0.10 0.00 -3.07 0.00 0.00 36.82 37.25 1hkc h ILE 22 CO 0.03 0.78 0.52 0.44 -0.69 0.00 0.00 178.15 179.23 1hkc h ASP 23 N -0.10 0.67 0.16 1.72 3.32 -1.21 0.39 116.42 121.37 1hkc h ASP 23 Ca -0.29 0.09 -0.25 0.00 0.02 0.00 0.00 57.03 56.60 1hkc h ASP 23 Cb 1.93 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 41.46 1hkc h ASP 23 CO 0.15 0.28 -1.00 0.11 -1.72 0.00 0.00 179.24 177.06 1hkc h LYS 24 N 0.72 0.57 -0.71 3.56 1.57 -1.66 -0.83 116.57 119.79 1hkc h LYS 24 Ca 0.50 -0.61 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1hkc h LYS 24 Cb 0.70 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 1hkc h LYS 24 CO -0.35 1.23 0.24 -0.92 -0.57 0.00 0.00 179.45 179.07 1hkc h TYR 25 N 0.32 1.12 -0.68 -1.35 3.20 -1.18 -2.77 116.97 115.63 1hkc h TYR 25 Ca -0.11 -0.11 -0.35 0.00 3.14 0.00 0.00 58.73 61.31 1hkc h TYR 25 Cb 1.64 -0.33 -0.21 0.00 1.54 0.00 0.00 36.73 39.38 1hkc h TYR 25 CO 0.08 0.89 0.29 1.28 -1.64 0.00 0.00 178.16 179.06 1hkc n LEU 26 N -4.31 5.47 -0.30 2.82 4.77 0.13 -4.70 117.00 120.87 1hkc n LEU 26 Ca 0.05 -3.69 0.17 0.00 -0.03 0.00 0.00 56.01 52.51 1hkc n LEU 26 Cb 0.21 -0.74 0.42 0.00 -2.33 0.00 0.00 43.42 40.99 1hkc n LEU 26 CO 0.41 1.16 1.21 0.10 -1.33 0.00 0.00 177.39 178.94 1hkc h TYR 27 N 1.03 0.79 0.00 -1.77 -0.00 -0.84 0.64 116.97 116.81 1hkc h TYR 27 Ca 0.43 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 59.19 1hkc h TYR 27 Cb 2.28 -0.24 0.00 0.00 -0.00 0.00 0.00 36.73 38.77 1hkc h TYR 27 CO 1.33 0.18 0.00 0.00 -0.00 0.00 0.00 178.16 179.67 1hkc n ALA 28 N -2.43 1.51 0.74 0.10 0.00 -1.26 -1.56 120.51 117.61 1hkc n ALA 28 Ca 0.22 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.74 1hkc n ALA 28 Cb 0.66 -1.19 0.15 0.00 0.00 0.00 0.00 19.45 19.06 1hkc n ALA 28 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1hkc n MET 29 N -1.53 2.40 -3.49 0.00 2.81 0.21 -4.74 117.12 112.79 1hkc n MET 29 Ca 0.03 -2.07 -0.43 0.00 -1.81 0.00 0.00 57.70 53.42 1hkc n MET 29 Cb 0.13 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.10 1hkc n MET 29 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1hkc s ARG 30 N -1.81 3.01 0.19 0.03 0.52 -0.60 -4.68 118.95 115.62 1hkc s ARG 30 Ca 0.32 -2.26 -0.30 0.00 -0.52 0.00 0.00 55.73 52.97 1hkc s ARG 30 Cb 0.21 -4.11 -0.08 0.00 0.52 0.00 0.00 34.95 31.49 1hkc s ARG 30 CO 0.31 -1.24 1.01 -0.51 0.02 0.00 0.00 175.30 174.88 1hkc s LEU 31 N 0.49 4.56 0.45 2.53 1.43 -1.26 -5.03 118.68 121.84 1hkc s LEU 31 Ca 0.14 1.98 -0.05 0.00 -1.03 0.00 0.00 54.13 55.17 1hkc s LEU 31 Cb -0.18 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1hkc s LEU 31 CO -0.04 -0.04 0.75 -0.94 0.23 0.00 0.00 176.35 176.31 1hkc s SER 32 N -0.55 6.30 0.36 2.29 1.04 -1.26 -4.89 113.70 116.99 1hkc s SER 32 Ca 0.45 0.90 0.03 0.00 0.48 0.00 0.00 55.95 57.81 1hkc s SER 32 Cb -0.27 -2.23 0.67 0.00 0.10 0.00 0.00 66.02 64.29 1hkc s SER 32 CO 0.33 -0.52 2.01 0.44 0.98 0.00 0.00 173.24 176.49 1hkc h ASP 33 N 0.44 0.67 -0.50 7.02 3.32 -1.98 0.20 116.42 125.58 1hkc h ASP 33 Ca -0.47 -0.03 0.07 0.00 0.02 0.00 0.00 57.03 56.62 1hkc h ASP 33 Cb 1.20 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.53 1hkc h ASP 33 CO 0.62 0.50 0.19 -0.33 -1.72 0.00 0.00 179.24 178.50 1hkc h GLU 34 N 0.78 0.36 -0.23 3.56 3.07 -2.00 0.16 114.58 120.29 1hkc h GLU 34 Ca 0.21 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.02 1hkc h GLU 34 Cb -0.06 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 1hkc h GLU 34 CO -0.04 0.24 0.05 1.15 -1.40 0.00 0.00 179.01 179.01 1hkc h THR 35 N 0.37 1.21 -0.31 1.13 2.02 -1.22 -2.55 112.91 113.56 1hkc h THR 35 Ca 0.24 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.76 1hkc h THR 35 Cb 0.25 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 1hkc h THR 35 CO -0.24 0.22 0.15 -0.07 0.37 0.00 0.00 175.52 175.95 1hkc h LEU 36 N 0.18 0.21 -1.06 2.58 3.38 -0.13 -0.55 115.31 119.92 1hkc h LEU 36 Ca 0.07 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1hkc h LEU 36 Cb 0.28 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1hkc h LEU 36 CO 0.00 0.16 0.64 0.40 0.09 0.00 0.00 178.44 179.73 1hkc h ILE 37 N 0.31 1.20 0.14 1.22 2.04 -0.97 0.39 117.51 121.84 1hkc h ILE 37 Ca 0.13 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1hkc h ILE 37 Cb 0.06 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 35.97 1hkc h ILE 37 CO -0.10 0.23 -0.09 -0.78 0.00 0.00 0.00 178.15 177.41 1hkc h ASP 38 N 1.25 -0.24 -0.93 1.72 3.58 -0.96 0.48 116.42 121.33 1hkc h ASP 38 Ca 0.37 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.88 1hkc h ASP 38 Cb -0.05 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.02 1hkc h ASP 38 CO -0.10 -0.15 0.61 0.40 -2.88 0.00 0.00 179.24 177.12 1hkc h ILE 39 N -0.23 1.15 -0.77 2.25 2.04 -0.06 0.86 117.51 122.75 1hkc h ILE 39 Ca -0.01 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1hkc h ILE 39 Cb 0.20 -0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.12 1hkc h ILE 39 CO 0.00 0.21 0.48 -0.03 0.00 0.00 0.00 178.15 178.81 1hkc h MET 40 N 1.16 0.88 -0.52 2.37 4.05 0.50 -1.35 114.93 122.02 1hkc h MET 40 Ca 0.37 -0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 59.62 1hkc h MET 40 Cb 0.03 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 1hkc h MET 40 CO -0.12 0.58 -0.16 1.15 0.23 0.00 0.00 176.91 178.60 1hkc h THR 41 N 0.91 1.27 -0.85 -0.77 2.02 0.81 -2.40 112.91 113.90 1hkc h THR 41 Ca 0.32 -1.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.15 1hkc h THR 41 Cb 0.08 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1hkc h THR 41 CO -0.14 0.46 0.41 0.03 0.37 0.00 0.00 175.52 176.66 1hkc h ARG 42 N 0.89 1.23 -0.44 6.66 3.08 -0.26 -2.48 114.38 123.06 1hkc h ARG 42 Ca 0.13 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1hkc h ARG 42 Cb 0.73 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1hkc h ARG 42 CO 0.06 0.94 -0.18 0.35 -1.07 0.00 0.00 179.97 180.07 1hkc h PHE 43 N 1.21 0.98 -0.95 3.04 3.57 -1.17 -1.85 116.94 121.77 1hkc h PHE 43 Ca 0.29 -0.22 0.09 0.00 3.53 0.00 0.00 57.97 61.66 1hkc h PHE 43 Cb 0.12 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 38.55 1hkc h PHE 43 CO 0.02 0.98 0.61 0.00 -2.23 0.00 0.00 178.31 177.68 1hkc h ARG 44 N 0.76 0.99 -0.19 1.11 3.08 -0.99 0.17 114.38 119.31 1hkc h ARG 44 Ca 0.11 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 1hkc h ARG 44 Cb 0.71 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1hkc h ARG 44 CO 0.05 0.66 -0.50 -0.22 -1.07 0.00 0.00 179.97 178.89 1hkc h LYS 45 N 1.02 0.52 0.00 0.04 3.11 -1.10 -2.26 116.57 117.90 1hkc h LYS 45 Ca 0.43 -0.30 -0.08 0.00 -2.81 0.00 0.00 60.65 57.89 1hkc h LYS 45 Cb 0.31 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 1hkc h LYS 45 CO -0.19 0.90 -0.38 0.93 -2.81 0.00 0.00 179.45 177.91 1hkc h GLU 46 N 0.41 0.00 -0.18 1.90 4.39 -0.21 -1.85 114.58 119.04 1hkc h GLU 46 Ca 0.02 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.55 1hkc h GLU 46 Cb 1.03 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1hkc h GLU 46 CO 0.09 0.38 -0.56 0.52 -1.16 0.00 0.00 179.01 178.28 1hkc h MET 47 N 0.00 0.69 0.18 2.33 2.86 -0.42 -2.46 114.93 118.11 1hkc h MET 47 Ca -0.00 -0.51 -0.01 0.00 -2.06 0.00 0.00 59.70 57.12 1hkc h MET 47 Cb 0.74 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1hkc h MET 47 CO 0.05 1.13 -0.09 -0.22 1.06 0.00 0.00 176.91 178.84 1hkc h LYS 48 N 0.39 -0.23 -0.61 1.72 3.64 -1.19 -2.63 116.57 117.66 1hkc h LYS 48 Ca -0.02 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1hkc h LYS 48 Cb 1.18 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 1hkc h LYS 48 CO 0.12 -0.07 0.31 -0.91 -2.27 0.00 0.00 179.45 176.64 1hkc h ASN 49 N -0.35 0.45 0.06 4.20 2.35 -1.38 -0.59 115.58 120.31 1hkc h ASN 49 Ca -0.02 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1hkc h ASN 49 Cb 0.28 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1hkc h ASN 49 CO 0.04 0.29 -0.14 1.23 -1.65 0.00 0.00 177.43 177.20 1hkc h GLY 50 N 0.59 0.18 1.47 2.83 0.00 -1.39 -2.74 103.07 104.02 1hkc h GLY 50 Ca 0.28 -0.11 -0.29 0.00 0.00 0.00 0.00 47.33 47.21 1hkc h GLY 50 CO -0.19 0.10 -1.29 1.41 0.00 0.00 0.00 176.54 176.57 1hkc h LEU 51 N 0.16 0.61 -9.80 3.11 3.38 -1.00 -3.42 115.31 108.35 1hkc h LEU 51 Ca 0.03 -0.63 -0.52 0.00 0.09 0.00 0.00 57.88 56.85 1hkc h LEU 51 Cb 0.35 -0.20 0.06 0.00 0.09 0.00 0.00 40.66 40.96 1hkc h LEU 51 CO 0.02 1.48 0.69 -0.94 0.09 0.00 0.00 178.44 179.78 1hkc s SER 52 N -7.31 6.73 0.28 -0.43 1.04 -0.29 -3.59 113.70 110.14 1hkc s SER 52 Ca -0.06 2.65 0.25 0.00 0.48 0.00 0.00 55.95 59.27 1hkc s SER 52 Cb 0.06 -2.63 0.95 0.00 0.10 0.00 0.00 66.02 64.49 1hkc s SER 52 CO 0.91 -0.60 1.75 0.08 0.98 0.00 0.00 173.24 176.36 1hkc h ARG 53 N 4.27 0.00 0.21 4.02 0.11 -1.88 -0.75 114.38 120.36 1hkc h ARG 53 Ca -0.47 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.31 1hkc h ARG 53 Cb 1.22 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.33 1hkc h ARG 53 CO 0.72 0.00 -1.35 -0.44 0.10 0.00 0.00 179.97 179.00 1hkc h ASP 54 N 0.00 0.70 -0.00 0.08 3.32 -1.91 -3.38 116.42 115.23 1hkc h ASP 54 Ca 0.00 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.12 1hkc h ASP 54 Cb 0.51 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1hkc h ASP 54 CO 0.00 1.64 -0.84 0.49 -1.72 0.00 0.00 179.24 178.81 1hkc n PHE 55 N -3.82 0.00 -0.25 4.55 3.01 -1.20 -4.52 117.46 115.23 1hkc n PHE 55 Ca -0.18 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.33 1hkc n PHE 55 Cb 1.02 0.00 0.18 0.00 -0.01 0.00 0.00 39.48 40.67 1hkc n PHE 55 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1hkc h ASN 56 N 0.31 0.29 -1.07 4.37 -0.73 -0.84 -2.38 115.58 115.53 1hkc h ASN 56 Ca 0.00 0.10 0.33 0.00 1.87 0.00 0.00 56.30 58.61 1hkc h ASN 56 Cb 0.49 0.08 -0.13 0.00 0.27 0.00 0.00 38.32 39.02 1hkc h ASN 56 CO 0.00 0.12 0.65 -0.65 -0.37 0.00 0.00 177.43 177.18 1hkc h PRO 57 N 0.46 0.29 0.00 6.67 0.11 -1.82 -2.07 132.00 135.64 1hkc h PRO 57 Ca 0.40 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.49 1hkc h PRO 57 Cb 0.59 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1hkc h PRO 57 CO -0.39 0.19 -0.37 0.25 -0.21 0.00 0.00 178.00 177.47 1hkc n THR 58 N -4.89 2.08 -3.41 -1.15 -2.24 -0.93 -5.04 114.28 98.70 1hkc n THR 58 Ca 0.32 -2.94 -0.38 0.00 -2.27 0.00 0.00 64.05 58.78 1hkc n THR 58 Cb 1.05 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 69.00 1hkc n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hkc s ALA 59 N -3.08 3.65 -0.12 6.98 0.00 -0.78 -4.99 121.76 123.42 1hkc s ALA 59 Ca 0.36 -0.12 0.15 0.00 0.00 0.00 0.00 51.96 52.35 1hkc s ALA 59 Cb 0.34 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1hkc s ALA 59 CO -0.04 0.43 1.24 1.79 0.00 0.00 0.00 175.76 179.18 1hkc h THR 60 N 3.67 0.84 -3.21 0.00 1.35 -1.90 -3.39 112.91 110.27 1hkc h THR 60 Ca -0.50 -2.28 -0.75 0.00 -0.55 0.00 0.00 66.41 62.33 1hkc h THR 60 Cb 1.22 2.35 -0.23 0.00 -1.73 0.00 0.00 68.15 69.76 1hkc h THR 60 CO 0.63 0.48 0.05 -0.69 -0.25 0.00 0.00 175.52 175.74 1hkc s VAL 61 N -2.92 5.19 0.54 6.82 1.01 -1.26 -4.58 120.40 125.20 1hkc s VAL 61 Ca 0.02 -1.67 0.25 0.00 0.00 0.00 0.00 61.98 60.57 1hkc s VAL 61 Cb 0.08 -4.46 0.38 0.00 0.00 0.00 0.00 36.38 32.39 1hkc s VAL 61 CO 0.77 -1.04 2.01 0.11 0.00 0.00 0.00 175.10 176.96 1hkc h LYS 62 N 8.62 0.00 -6.67 2.72 1.57 -1.76 -3.37 116.57 117.68 1hkc h LYS 62 Ca -0.14 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.11 1hkc h LYS 62 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1hkc h LYS 62 CO 0.97 0.00 -0.97 -1.33 -0.57 0.00 0.00 179.45 177.55 1hkc n MET 63 N -4.32 -1.02 -2.50 3.15 2.81 -1.06 -4.80 117.12 109.38 1hkc n MET 63 Ca 0.08 0.24 -0.41 0.00 -1.81 0.00 0.00 57.70 55.80 1hkc n MET 63 Cb 0.54 -3.41 -0.04 0.00 -0.71 0.00 0.00 33.22 29.60 1hkc n MET 63 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1hkc s LEU 64 N -7.08 4.53 0.11 4.03 1.43 -0.23 -4.69 118.68 116.77 1hkc s LEU 64 Ca 0.37 2.17 -0.30 0.00 -1.03 0.00 0.00 54.13 55.34 1hkc s LEU 64 Cb -0.17 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.37 1hkc s LEU 64 CO 0.93 -0.17 1.10 -2.16 0.23 0.00 0.00 176.35 176.28 1hkc s PRO 65 N -0.90 4.55 0.02 1.29 0.04 -1.26 0.12 135.00 138.86 1hkc s PRO 65 Ca 0.47 1.67 0.22 0.00 0.04 0.00 0.00 61.00 63.40 1hkc s PRO 65 Cb -0.31 -3.33 -0.08 0.00 0.04 0.00 0.00 34.50 30.82 1hkc s PRO 65 CO 0.38 -0.03 0.91 0.25 0.04 0.00 0.00 177.00 178.55 1hkc n THR 66 N 3.10 0.08 -2.95 1.26 -2.24 -0.60 -4.72 114.28 108.21 1hkc n THR 66 Ca 0.05 -0.21 -0.17 0.00 -2.27 0.00 0.00 64.05 61.45 1hkc n THR 66 Cb 0.47 0.40 0.04 0.00 -2.10 0.00 0.00 70.33 69.14 1hkc n THR 66 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1hkc n PHE 67 N -1.86 -1.65 -4.06 4.78 3.72 -1.26 -4.72 117.46 112.41 1hkc n PHE 67 Ca 0.02 0.48 -0.32 0.00 -0.05 0.00 0.00 57.45 57.58 1hkc n PHE 67 Cb 0.42 -3.75 -0.15 0.00 -0.94 0.00 0.00 39.48 35.07 1hkc n PHE 67 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1hkc s VAL 68 N -3.07 2.12 -2.46 -4.37 1.01 -1.26 -4.72 120.40 107.64 1hkc s VAL 68 Ca 0.28 -1.63 0.25 0.00 0.00 0.00 0.00 61.98 60.88 1hkc s VAL 68 Cb -0.12 -2.25 0.27 0.00 0.00 0.00 0.00 36.38 34.27 1hkc s VAL 68 CO 0.35 -0.06 1.42 0.54 0.00 0.00 0.00 175.10 177.34 1hkc n ARG 69 N 4.44 1.67 -3.54 2.72 1.74 -1.26 -0.64 116.66 121.80 1hkc n ARG 69 Ca -0.13 -1.23 -0.08 0.00 -0.77 0.00 0.00 57.85 55.64 1hkc n ARG 69 Cb 0.42 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 1hkc n ARG 69 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1hkc s SER 70 N -2.18 -0.31 0.50 0.55 0.15 -1.26 -4.41 113.70 106.74 1hkc s SER 70 Ca 0.28 0.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.97 1hkc s SER 70 Cb 0.20 0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 64.80 1hkc s SER 70 CO 0.40 -0.48 0.78 0.27 1.20 0.00 0.00 173.24 175.41 1hkc s ILE 71 N -2.56 4.39 -0.08 6.45 -4.36 -1.26 -4.98 121.20 118.80 1hkc s ILE 71 Ca 0.05 -0.05 -0.40 0.00 -0.26 0.00 0.00 60.65 59.99 1hkc s ILE 71 Cb -0.01 -3.67 -0.18 0.00 1.25 0.00 0.00 42.46 39.84 1hkc s ILE 71 CO -0.06 -0.62 1.33 -2.65 0.24 0.00 0.00 174.94 173.18 1hkc n PRO 72 N -2.28 0.53 -0.32 0.37 -0.02 -1.26 -4.85 135.00 127.18 1hkc n PRO 72 Ca 0.01 0.19 0.11 0.00 -2.02 0.00 0.00 63.50 61.79 1hkc n PRO 72 Cb 0.56 -1.77 0.29 0.00 -0.02 0.00 0.00 33.50 32.56 1hkc n PRO 72 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1hkc n ASP 73 N 2.73 3.46 0.00 2.55 5.68 -1.26 -4.65 116.55 125.07 1hkc n ASP 73 Ca 0.22 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 1hkc n ASP 73 Cb 0.10 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 1hkc n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hkc n GLY 74 N 1.53 2.22 0.00 6.12 0.00 -1.26 -4.80 105.19 109.00 1hkc n GLY 74 Ca 0.22 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1hkc n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hkc n SER 75 N 1.62 0.00 -4.70 1.61 3.41 -1.26 -4.65 113.62 109.64 1hkc n SER 75 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1hkc n SER 75 Cb 0.00 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1hkc n SER 75 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1hkc s GLU 76 N -1.78 4.36 -0.15 4.33 8.01 -1.26 -5.01 118.70 127.20 1hkc s GLU 76 Ca 0.00 1.88 -0.18 0.00 0.01 0.00 0.00 54.97 56.68 1hkc s GLU 76 Cb 0.00 -3.40 0.05 0.00 -4.31 0.00 0.00 34.13 26.46 1hkc s GLU 76 CO 0.00 -0.40 0.48 0.21 0.01 0.00 0.00 175.26 175.56 1hkc s LYS 77 N 1.53 0.63 0.00 1.61 2.47 -1.26 -4.63 119.74 120.10 1hkc s LYS 77 Ca 0.61 0.52 0.00 0.00 -1.56 0.00 0.00 55.97 55.54 1hkc s LYS 77 Cb -0.31 0.30 0.00 0.00 -1.46 0.00 0.00 37.83 36.36 1hkc s LYS 77 CO 0.28 -0.11 0.00 0.41 0.16 0.00 0.00 175.35 176.09 1hkc n GLY 78 N 2.43 -1.12 2.70 5.54 0.00 0.53 -4.98 105.19 110.30 1hkc n GLY 78 Ca -0.15 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 1hkc n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hkc s ASP 79 N -3.56 1.40 0.23 1.61 2.15 -1.26 -1.74 116.67 115.50 1hkc s ASP 79 Ca 0.00 -0.08 -0.06 0.00 0.43 0.00 0.00 52.55 52.84 1hkc s ASP 79 Cb 0.00 -0.01 -0.02 0.00 -0.30 0.00 0.00 42.92 42.59 1hkc s ASP 79 CO 0.00 -0.28 0.30 0.72 -0.17 0.00 0.00 175.17 175.74 1hkc s PHE 80 N 2.21 0.82 0.37 -5.34 -0.12 -0.84 -4.27 117.98 110.80 1hkc s PHE 80 Ca 0.04 -1.09 0.07 0.00 -0.05 0.00 0.00 56.93 55.90 1hkc s PHE 80 Cb -0.13 -0.21 -0.01 0.00 -0.63 0.00 0.00 43.02 42.03 1hkc s PHE 80 CO -0.06 -0.82 0.42 0.42 -0.05 0.00 0.00 175.22 175.13 1hkc s ILE 81 N -4.04 3.43 -0.18 -4.49 -1.09 -0.57 -1.38 121.20 112.89 1hkc s ILE 81 Ca 0.31 -1.17 -0.10 0.00 -2.23 0.00 0.00 60.65 57.47 1hkc s ILE 81 Cb 0.03 -3.18 0.06 0.00 -1.58 0.00 0.00 42.46 37.79 1hkc s ILE 81 CO 0.11 -0.10 0.43 0.00 -1.23 0.00 0.00 174.94 174.16 1hkc s ALA 82 N -2.30 -1.11 0.01 9.38 0.00 0.22 -1.48 121.76 126.47 1hkc s ALA 82 Ca 0.47 1.59 0.01 0.00 0.00 0.00 0.00 51.96 54.03 1hkc s ALA 82 Cb -0.07 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 1hkc s ALA 82 CO 0.30 -0.27 0.03 -0.51 0.00 0.00 0.00 175.76 175.30 1hkc s LEU 83 N 1.38 3.64 -0.28 0.00 1.02 -0.07 -0.28 118.68 124.10 1hkc s LEU 83 Ca -0.09 0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.04 1hkc s LEU 83 Cb -0.08 -2.15 0.09 0.00 0.02 0.00 0.00 46.19 44.08 1hkc s LEU 83 CO -0.13 0.26 0.12 -0.62 0.02 0.00 0.00 176.35 176.00 1hkc s ASP 84 N -1.75 3.48 -0.04 2.29 -1.08 -0.83 -0.28 116.67 118.45 1hkc s ASP 84 Ca 0.22 -1.26 0.05 0.00 -0.52 0.00 0.00 52.55 51.03 1hkc s ASP 84 Cb -0.12 -0.44 -0.01 0.00 -1.46 0.00 0.00 42.92 40.90 1hkc s ASP 84 CO 0.13 -0.42 -0.18 -0.22 0.52 0.00 0.00 175.17 175.00 1hkc s LEU 85 N 2.01 1.95 0.00 -1.34 2.96 -0.45 -2.68 118.68 121.13 1hkc s LEU 85 Ca 0.08 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 1hkc s LEU 85 Cb -0.16 -1.03 0.00 0.00 0.50 0.00 0.00 46.19 45.50 1hkc s LEU 85 CO -0.31 0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 1hkc n GLY 86 N 3.08 1.33 0.00 7.98 0.00 -1.26 -2.78 105.19 113.53 1hkc n GLY 86 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1hkc n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hkc n GLY 87 N 0.00 2.21 0.32 -0.02 0.00 -1.26 -4.83 105.19 101.61 1hkc n GLY 87 Ca 0.00 -1.91 -0.04 0.00 0.00 0.00 0.00 46.02 44.07 1hkc n GLY 87 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1hkc h SER 88 N 0.00 0.99 -4.99 1.61 4.64 -1.99 -3.44 113.55 110.36 1hkc h SER 88 Ca 0.00 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.10 1hkc h SER 88 Cb 0.00 -0.25 -0.21 0.00 -0.31 0.00 0.00 62.40 61.63 1hkc h SER 88 CO 0.00 0.76 -0.59 -0.94 -0.87 0.00 0.00 176.83 175.19 1hkc s SER 89 N -6.05 0.13 -0.48 4.97 1.04 -1.26 -5.11 113.70 106.94 1hkc s SER 89 Ca -0.13 -0.36 -0.21 0.00 0.48 0.00 0.00 55.95 55.73 1hkc s SER 89 Cb 0.16 0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.47 1hkc s SER 89 CO 0.80 -0.34 0.72 0.12 0.98 0.00 0.00 173.24 175.52 1hkc s PHE 90 N -1.47 2.99 0.28 5.02 5.36 -1.26 -4.77 117.98 124.13 1hkc s PHE 90 Ca -0.15 -0.15 0.11 0.00 -0.96 0.00 0.00 56.93 55.79 1hkc s PHE 90 Cb -0.08 -3.60 -0.05 0.00 -0.34 0.00 0.00 43.02 38.95 1hkc s PHE 90 CO 0.00 -1.03 -0.16 -0.98 -1.46 0.00 0.00 175.22 171.59 1hkc s ARG 91 N 3.07 1.80 -0.10 10.12 1.70 -1.09 -0.28 118.95 134.17 1hkc s ARG 91 Ca 0.23 -1.71 0.01 0.00 -0.47 0.00 0.00 55.73 53.79 1hkc s ARG 91 Cb -0.15 -1.84 0.02 0.00 -0.57 0.00 0.00 34.95 32.41 1hkc s ARG 91 CO 0.18 0.33 -0.10 0.42 -1.08 0.00 0.00 175.30 175.04 1hkc s ILE 92 N -2.48 1.17 0.14 4.99 1.01 0.19 -1.97 121.20 124.25 1hkc s ILE 92 Ca 0.30 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.62 1hkc s ILE 92 Cb -0.05 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1hkc s ILE 92 CO 0.16 0.38 -0.14 -0.76 0.00 0.00 0.00 174.94 174.59 1hkc s LEU 93 N 1.32 2.86 -0.34 2.97 1.02 0.62 -0.66 118.68 126.47 1hkc s LEU 93 Ca -0.02 -0.54 0.04 0.00 0.02 0.00 0.00 54.13 53.63 1hkc s LEU 93 Cb -0.14 -1.63 0.10 0.00 0.02 0.00 0.00 46.19 44.54 1hkc s LEU 93 CO -0.05 0.15 0.05 -0.60 0.02 0.00 0.00 176.35 175.93 1hkc s ARG 94 N -2.41 1.43 0.02 1.70 3.52 0.22 0.69 118.95 124.12 1hkc s ARG 94 Ca 0.21 -1.80 -0.10 0.00 -0.13 0.00 0.00 55.73 53.91 1hkc s ARG 94 Cb -0.10 -3.10 -0.05 0.00 -1.56 0.00 0.00 34.95 30.13 1hkc s ARG 94 CO 0.13 -0.94 0.35 0.08 -0.81 0.00 0.00 175.30 174.11 1hkc s VAL 95 N 0.96 5.17 -0.30 7.11 1.01 -0.48 -2.35 120.40 131.53 1hkc s VAL 95 Ca 0.10 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 1hkc s VAL 95 Cb -0.19 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 32.67 1hkc s VAL 95 CO -0.09 0.42 0.09 -1.58 0.00 0.00 0.00 175.10 173.94 1hkc s GLN 96 N -1.55 0.68 -0.42 2.72 0.74 0.89 -1.98 119.66 120.75 1hkc s GLN 96 Ca 0.27 -0.98 -0.14 0.00 0.05 0.00 0.00 55.36 54.56 1hkc s GLN 96 Cb -0.14 -1.94 0.04 0.00 1.10 0.00 0.00 33.01 32.06 1hkc s GLN 96 CO 0.15 -0.95 0.30 0.08 -0.55 0.00 0.00 175.29 174.31 1hkc s VAL 97 N 1.67 5.06 0.46 1.34 1.01 -0.71 -2.62 120.40 126.61 1hkc s VAL 97 Ca 0.09 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1hkc s VAL 97 Cb -0.17 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 1hkc s VAL 97 CO -0.24 -0.37 0.03 -0.46 0.00 0.00 0.00 175.10 174.06 1hkc n ASN 98 N 5.12 2.84 -4.68 3.32 6.94 -1.26 0.20 115.26 127.74 1hkc n ASN 98 Ca -0.11 -3.09 -0.40 0.00 -0.02 0.00 0.00 54.58 50.96 1hkc n ASN 98 Cb 0.46 0.48 -0.05 0.00 -2.36 0.00 0.00 39.78 38.31 1hkc n ASN 98 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1hkc s HIS 99 N -2.79 3.44 0.25 -2.53 -3.43 -1.26 -4.93 115.29 104.04 1hkc s HIS 99 Ca 0.05 1.06 -0.05 0.00 -0.80 0.00 0.00 55.06 55.31 1hkc s HIS 99 Cb 0.00 -2.82 -0.02 0.00 -1.43 0.00 0.00 32.58 28.31 1hkc s HIS 99 CO 0.03 -0.10 0.32 -1.21 -2.00 0.00 0.00 174.74 171.79 1hkc s GLU 100 N 1.59 1.49 -1.17 -0.38 0.41 -1.26 -5.08 118.70 114.30 1hkc s GLU 100 Ca 0.32 -1.55 -0.06 0.00 -0.41 0.00 0.00 54.97 53.28 1hkc s GLU 100 Cb -0.16 0.38 0.24 0.00 -1.78 0.00 0.00 34.13 32.81 1hkc s GLU 100 CO 0.12 -0.57 1.72 1.63 -0.49 0.00 0.00 175.26 177.67 1hkc n LYS 101 N -0.39 4.23 -2.13 1.61 5.02 -1.26 -4.57 118.16 120.68 1hkc n LYS 101 Ca 0.01 -4.10 -0.06 0.00 -2.02 0.00 0.00 58.31 52.14 1hkc n LYS 101 Cb 0.63 -2.68 -0.00 0.00 -0.02 0.00 0.00 35.03 32.97 1hkc n LYS 101 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1hkc n ASN 102 N 2.23 -2.47 -4.50 4.39 4.05 -1.26 -5.05 115.26 112.65 1hkc n ASN 102 Ca 0.35 -0.01 -0.29 0.00 0.45 0.00 0.00 54.58 55.08 1hkc n ASN 102 Cb 0.33 -1.81 -0.11 0.00 1.23 0.00 0.00 39.78 39.42 1hkc n ASN 102 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1hkc s GLN 103 N -4.32 1.81 1.11 1.20 -0.21 -1.26 -5.13 119.66 112.86 1hkc s GLN 103 Ca 0.00 -1.19 -0.16 0.00 0.02 0.00 0.00 55.36 54.04 1hkc s GLN 103 Cb -0.00 -2.12 0.24 0.00 1.00 0.00 0.00 33.01 32.13 1hkc s GLN 103 CO 0.00 0.48 0.55 0.09 -2.12 0.00 0.00 175.29 174.29 1hkc n ASN 104 N 0.72 -3.39 -4.54 5.90 5.03 -1.26 -4.78 115.26 112.94 1hkc n ASN 104 Ca -0.15 -0.56 -0.32 0.00 0.87 0.00 0.00 54.58 54.42 1hkc n ASN 104 Cb 0.53 -0.81 -0.11 0.00 -1.02 0.00 0.00 39.78 38.37 1hkc n ASN 104 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1hkc s VAL 105 N -2.03 3.34 0.04 2.41 1.01 -1.26 -4.90 120.40 119.01 1hkc s VAL 105 Ca 0.42 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1hkc s VAL 105 Cb -0.07 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1hkc s VAL 105 CO 0.36 0.42 0.25 -2.28 0.00 0.00 0.00 175.10 173.84 1hkc s HIS 106 N -0.93 3.53 -0.18 5.22 2.46 -1.08 -4.98 115.29 119.33 1hkc s HIS 106 Ca 0.15 0.41 -0.29 0.00 0.47 0.00 0.00 55.06 55.80 1hkc s HIS 106 Cb -0.11 -1.88 0.13 0.00 -0.13 0.00 0.00 32.58 30.59 1hkc s HIS 106 CO 0.06 0.58 1.02 0.00 -2.47 0.00 0.00 174.74 173.93 1hkc s MET 107 N -2.21 0.56 0.04 2.88 0.23 -1.26 -0.07 119.30 119.47 1hkc s MET 107 Ca 0.32 0.21 0.02 0.00 -1.03 0.00 0.00 55.69 55.21 1hkc s MET 107 Cb -0.13 0.26 -0.02 0.00 -1.53 0.00 0.00 34.83 33.41 1hkc s MET 107 CO 0.22 -0.16 -0.08 -1.83 -2.03 0.00 0.00 175.02 171.15 1hkc s GLU 108 N -0.90 0.52 0.14 3.16 -1.05 -0.99 -4.98 118.70 114.60 1hkc s GLU 108 Ca -0.01 -0.75 0.02 0.00 -0.15 0.00 0.00 54.97 54.08 1hkc s GLU 108 Cb -0.01 -0.28 -0.04 0.00 -0.44 0.00 0.00 34.13 33.36 1hkc s GLU 108 CO 0.00 0.05 -0.04 -1.54 0.95 0.00 0.00 175.26 174.68 1hkc s SER 109 N -1.58 1.27 -0.11 0.83 1.04 -1.26 -0.61 113.70 113.28 1hkc s SER 109 Ca -0.10 -1.09 -0.05 0.00 0.48 0.00 0.00 55.95 55.18 1hkc s SER 109 Cb -0.10 0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.16 1hkc s SER 109 CO 0.00 -0.50 0.25 -1.61 0.98 0.00 0.00 173.24 172.36 1hkc s GLU 110 N -3.86 0.21 -0.17 4.02 2.02 0.16 -4.93 118.70 116.16 1hkc s GLU 110 Ca 0.19 0.53 -0.16 0.00 0.02 0.00 0.00 54.97 55.55 1hkc s GLU 110 Cb 0.05 -0.12 -0.04 0.00 0.10 0.00 0.00 34.13 34.12 1hkc s GLU 110 CO 0.00 -0.16 0.39 0.08 0.02 0.00 0.00 175.26 175.59 1hkc s VAL 111 N 1.24 5.23 -0.17 2.63 1.01 -1.26 0.56 120.40 129.64 1hkc s VAL 111 Ca -0.09 0.72 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 1hkc s VAL 111 Cb -0.10 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1hkc s VAL 111 CO -0.08 0.31 -0.03 -0.31 0.00 0.00 0.00 175.10 174.99 1hkc s TYR 112 N 0.87 3.02 0.18 5.22 1.51 0.62 -4.98 117.35 123.79 1hkc s TYR 112 Ca 0.20 -0.36 -0.31 0.00 -1.01 0.00 0.00 57.07 55.59 1hkc s TYR 112 Cb -0.14 -1.98 -0.10 0.00 -0.11 0.00 0.00 41.96 39.63 1hkc s TYR 112 CO 0.07 -0.10 1.51 0.34 -1.11 0.00 0.00 175.55 176.27 1hkc s ASP 113 N 0.52 6.63 -0.35 2.29 2.15 -1.26 -4.31 116.67 122.34 1hkc s ASP 113 Ca -0.03 2.60 0.03 0.00 0.43 0.00 0.00 52.55 55.58 1hkc s ASP 113 Cb -0.14 -2.60 0.10 0.00 -0.30 0.00 0.00 42.92 39.98 1hkc s ASP 113 CO 0.03 -0.77 0.09 -0.89 -0.17 0.00 0.00 175.17 173.45 1hkc s THR 114 N 0.81 1.88 0.07 1.71 2.01 -1.26 -5.09 115.64 115.77 1hkc s THR 114 Ca 0.66 -2.18 -0.36 0.00 0.31 0.00 0.00 61.69 60.12 1hkc s THR 114 Cb -0.42 -2.39 -0.19 0.00 0.01 0.00 0.00 72.50 69.51 1hkc s THR 114 CO 0.35 -0.65 0.97 -2.65 -0.69 0.00 0.00 174.62 171.94 1hkc n PRO 115 N 4.28 0.21 0.23 4.92 -0.02 -1.26 -4.81 135.00 138.55 1hkc n PRO 115 Ca 0.03 0.08 0.18 0.00 -2.02 0.00 0.00 63.50 61.76 1hkc n PRO 115 Cb 0.41 -1.47 0.86 0.00 -0.02 0.00 0.00 33.50 33.28 1hkc n PRO 115 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1hkc h GLU 116 N 2.68 0.00 -0.40 -0.52 4.57 -2.00 0.57 114.58 119.48 1hkc h GLU 116 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1hkc h GLU 116 Cb 1.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.01 1hkc h GLU 116 CO 0.65 0.00 0.00 0.27 -1.18 0.00 0.00 179.01 178.75 1hkc n ASN 117 N -3.66 1.80 -0.06 1.04 0.23 -1.26 -3.46 115.26 109.89 1hkc n ASN 117 Ca 0.01 -2.07 -0.06 0.00 -0.53 0.00 0.00 54.58 51.93 1hkc n ASN 117 Cb 0.31 -0.27 -0.10 0.00 -2.08 0.00 0.00 39.78 37.64 1hkc n ASN 117 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1hkc n ILE 118 N 0.33 0.87 1.43 1.53 5.41 0.20 -4.07 119.36 125.06 1hkc n ILE 118 Ca 0.10 -0.54 0.11 0.00 1.00 0.00 0.00 62.75 63.42 1hkc n ILE 118 Cb 0.32 -0.64 0.46 0.00 -0.71 0.00 0.00 39.64 39.07 1hkc n ILE 118 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1hkc n VAL 119 N -2.47 0.12 -0.06 1.39 0.24 -1.19 -3.14 118.33 113.22 1hkc n VAL 119 Ca -0.21 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 1hkc n VAL 119 Cb 0.91 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 1hkc n VAL 119 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1hkc n HIS 120 N 0.07 0.00 -0.26 6.34 8.25 -1.25 0.59 115.22 128.96 1hkc n HIS 120 Ca 0.17 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1hkc n HIS 120 Cb 0.29 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1hkc n HIS 120 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hkc n GLY 121 N -0.30 1.48 3.88 -1.41 0.00 -1.19 -4.66 105.19 102.98 1hkc n GLY 121 Ca 0.00 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 1hkc n GLY 121 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hkc s SER 122 N -1.00 6.58 0.25 1.61 1.04 -1.26 -0.79 113.70 120.13 1hkc s SER 122 Ca 0.00 0.82 -0.03 0.00 0.48 0.00 0.00 55.95 57.22 1hkc s SER 122 Cb 0.00 -2.18 0.46 0.00 0.10 0.00 0.00 66.02 64.40 1hkc s SER 122 CO 0.00 -0.05 1.78 1.23 0.98 0.00 0.00 173.24 177.19 1hkc h GLY 123 N 2.56 1.31 0.16 7.32 0.00 0.60 -1.94 103.07 113.09 1hkc h GLY 123 Ca -0.47 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 46.61 1hkc h GLY 123 CO 0.70 0.04 -0.45 1.48 0.00 0.00 0.00 176.54 178.31 1hkc h SER 124 N 0.69 -1.36 -0.69 0.19 4.64 -1.91 -0.72 113.55 114.38 1hkc h SER 124 Ca 0.43 0.16 0.06 0.00 -0.47 0.00 0.00 61.79 61.96 1hkc h SER 124 Cb 0.51 0.52 -0.05 0.00 -0.31 0.00 0.00 62.40 63.07 1hkc h SER 124 CO -0.31 -0.49 0.40 1.56 -0.87 0.00 0.00 176.83 177.11 1hkc h GLN 125 N -0.64 0.71 -0.45 4.77 4.20 -1.85 -1.13 115.11 120.73 1hkc h GLN 125 Ca 0.03 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1hkc h GLN 125 Cb 0.69 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1hkc h GLN 125 CO -0.30 0.47 0.29 1.25 -0.67 0.00 0.00 178.83 179.87 1hkc h LEU 126 N 0.73 0.48 -0.44 1.46 5.85 -0.78 0.06 115.31 122.67 1hkc h LEU 126 Ca 0.31 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 1hkc h LEU 126 Cb 0.17 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1hkc h LEU 126 CO -0.17 0.35 -0.31 -0.26 -0.34 0.00 0.00 178.44 177.70 1hkc h PHE 127 N 0.58 0.00 0.00 1.25 0.04 -0.93 -1.38 116.94 116.49 1hkc h PHE 127 Ca 0.17 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.78 1hkc h PHE 127 Cb -0.04 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 1hkc h PHE 127 CO -0.05 0.31 -0.78 -0.44 -0.60 0.00 0.00 178.31 176.75 1hkc h ASP 128 N 0.00 0.00 -0.14 2.17 3.32 -0.85 -0.36 116.42 120.56 1hkc h ASP 128 Ca -0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1hkc h ASP 128 Cb 1.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1hkc h ASP 128 CO 0.04 0.78 -0.15 -0.74 -1.72 0.00 0.00 179.24 177.45 1hkc h HIS 129 N 0.00 0.41 -0.76 4.55 2.76 -0.68 0.28 115.15 121.71 1hkc h HIS 129 Ca -0.01 -0.13 -0.04 0.00 -2.20 0.00 0.00 60.37 58.00 1hkc h HIS 129 Cb 1.40 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 30.24 1hkc h HIS 129 CO 0.00 0.75 0.32 0.28 -1.30 0.00 0.00 177.93 177.98 1hkc h VAL 130 N -0.04 1.25 -0.08 5.26 2.07 -1.18 0.31 116.25 123.83 1hkc h VAL 130 Ca 0.02 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1hkc h VAL 130 Cb 0.69 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1hkc h VAL 130 CO 0.04 0.31 -0.01 0.00 0.02 0.00 0.00 177.57 177.93 1hkc h ALA 131 N 1.25 0.11 -0.97 1.67 0.00 -0.93 -0.92 119.26 119.47 1hkc h ALA 131 Ca 0.26 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1hkc h ALA 131 Cb 0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1hkc h ALA 131 CO -0.03 -0.18 0.62 1.49 0.00 0.00 0.00 179.25 181.16 1hkc h GLU 132 N -0.16 0.95 -0.04 0.00 4.81 -0.06 -0.60 114.58 119.48 1hkc h GLU 132 Ca 0.02 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 1hkc h GLU 132 Cb 0.39 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1hkc h GLU 132 CO 0.01 0.63 -0.72 0.00 -0.73 0.00 0.00 179.01 178.19 1hkc h LEU 134 N 0.16 -0.77 -0.84 0.00 5.85 0.29 -2.36 115.31 117.63 1hkc h LEU 134 Ca -0.02 0.03 0.19 0.00 0.84 0.00 0.00 57.88 58.91 1hkc h LEU 134 Cb 1.28 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 42.39 1hkc h LEU 134 CO 0.11 -0.44 0.34 1.23 -0.34 0.00 0.00 178.44 179.34 1hkc h GLY 135 N -1.13 1.37 0.94 3.75 0.00 -1.37 -0.36 103.07 106.27 1hkc h GLY 135 Ca -0.09 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.10 1hkc h GLY 135 CO 0.15 -0.21 0.10 -1.80 0.00 0.00 0.00 176.54 174.78 1hkc h ASP 136 N 0.41 0.15 -0.44 0.19 1.82 -1.55 0.13 116.42 117.13 1hkc h ASP 136 Ca 0.50 0.00 0.07 0.00 -0.39 0.00 0.00 57.03 57.21 1hkc h ASP 136 Cb 0.89 -0.03 -0.06 0.00 0.68 0.00 0.00 39.33 40.82 1hkc h ASP 136 CO -0.49 0.11 0.10 0.15 -1.61 0.00 0.00 179.24 177.51 1hkc h PHE 137 N 0.20 0.17 -0.38 0.28 3.04 -0.53 0.35 116.94 120.07 1hkc h PHE 137 Ca 0.07 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 61.89 1hkc h PHE 137 Cb 0.00 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 1hkc h PHE 137 CO -0.09 0.03 -0.39 0.52 -2.02 0.00 0.00 178.31 176.37 1hkc h MET 138 N 0.24 0.94 -0.05 1.11 0.00 -1.12 -2.93 114.93 113.12 1hkc h MET 138 Ca 0.21 -0.50 -0.01 0.00 0.00 0.00 0.00 59.70 59.41 1hkc h MET 138 Cb 0.25 0.02 -0.00 0.00 0.00 0.00 0.00 31.60 31.87 1hkc h MET 138 CO -0.26 1.15 0.01 1.49 0.00 0.00 0.00 176.91 179.30 1hkc h GLU 139 N 0.76 0.09 0.00 1.72 4.81 -0.30 1.49 114.58 123.16 1hkc h GLU 139 Ca 0.06 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1hkc h GLU 139 Cb 0.98 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1hkc h GLU 139 CO 0.10 0.34 0.12 -0.22 -0.73 0.00 0.00 179.01 178.62 1hkc h LYS 140 N -0.17 0.00 -0.06 1.92 3.64 -0.35 1.51 116.57 123.06 1hkc h LYS 140 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1hkc h LYS 140 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1hkc h LYS 140 CO 0.00 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.72 1hkc n ARG 141 N -2.48 0.77 -2.49 1.90 1.74 -0.72 -5.00 116.66 110.39 1hkc n ARG 141 Ca -0.02 -1.14 -0.04 0.00 -0.77 0.00 0.00 57.85 55.88 1hkc n ARG 141 Cb 0.16 -1.13 -0.00 0.00 -1.02 0.00 0.00 32.46 30.47 1hkc n ARG 141 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1hkc n LYS 142 N 0.26 -2.74 -0.75 5.56 4.01 0.52 -4.75 118.16 120.27 1hkc n LYS 142 Ca 0.04 0.20 0.08 0.00 -0.51 0.00 0.00 58.31 58.13 1hkc n LYS 142 Cb 0.21 -4.74 0.38 0.00 -0.51 0.00 0.00 35.03 30.37 1hkc n LYS 142 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1hkc n ILE 143 N -2.81 2.25 0.44 -0.18 -5.35 0.23 -4.39 119.36 109.55 1hkc n ILE 143 Ca -0.05 -1.27 0.06 0.00 -0.27 0.00 0.00 62.75 61.22 1hkc n ILE 143 Cb 0.54 -0.07 0.27 0.00 -1.74 0.00 0.00 39.64 38.64 1hkc n ILE 143 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1hkc n LYS 144 N 0.91 0.02 -0.09 6.28 4.81 -1.24 -3.18 118.16 125.67 1hkc n LYS 144 Ca 0.27 0.27 -0.17 0.00 -0.87 0.00 0.00 58.31 57.81 1hkc n LYS 144 Cb 1.03 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 34.47 1hkc n LYS 144 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1hkc h ASP 145 N 0.00 0.00 -2.69 3.14 2.03 -1.93 -3.44 116.42 113.53 1hkc h ASP 145 Ca 0.00 -0.61 -0.54 0.00 -0.73 0.00 0.00 57.03 55.15 1hkc h ASP 145 Cb 0.20 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.63 1hkc h ASP 145 CO 0.00 1.22 1.09 -0.54 -1.03 0.00 0.00 179.24 179.98 1hkc s LYS 146 N -2.27 3.25 -0.88 4.15 1.02 -1.19 -4.91 119.74 118.92 1hkc s LYS 146 Ca -0.23 0.23 -0.26 0.00 0.02 0.00 0.00 55.97 55.72 1hkc s LYS 146 Cb 0.02 -4.14 -0.17 0.00 -0.52 0.00 0.00 37.83 33.02 1hkc s LYS 146 CO 0.57 -2.02 2.32 0.15 -0.92 0.00 0.00 175.35 175.45 1hkc s LYS 147 N 5.60 1.44 0.41 1.68 1.02 -1.26 -4.91 119.74 123.72 1hkc s LYS 147 Ca 0.47 0.21 -0.24 0.00 0.02 0.00 0.00 55.97 56.43 1hkc s LYS 147 Cb -0.09 -4.84 -0.09 0.00 -0.52 0.00 0.00 37.83 32.28 1hkc s LYS 147 CO 0.22 -4.81 1.06 -0.51 -0.92 0.00 0.00 175.35 170.39 1hkc s LEU 148 N 15.61 4.11 0.57 3.17 1.43 -1.26 -4.92 118.68 137.39 1hkc s LEU 148 Ca 0.89 2.06 -0.20 0.00 -1.03 0.00 0.00 54.13 55.85 1hkc s LEU 148 Cb -0.10 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 1hkc s LEU 148 CO 0.11 -0.55 1.27 -2.84 0.23 0.00 0.00 176.35 174.57 1hkc s PRO 149 N -2.55 3.06 -0.10 1.29 0.02 -1.26 -4.11 135.00 131.35 1hkc s PRO 149 Ca 0.59 2.01 0.04 0.00 0.02 0.00 0.00 61.00 63.66 1hkc s PRO 149 Cb -0.22 -2.09 -0.00 0.00 0.02 0.00 0.00 34.50 32.20 1hkc s PRO 149 CO 0.28 -1.18 -0.24 0.08 -0.33 0.00 0.00 177.00 175.61 1hkc s VAL 150 N -1.45 2.06 0.05 3.83 1.01 0.24 -1.51 120.40 124.63 1hkc s VAL 150 Ca 0.74 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1hkc s VAL 150 Cb -0.35 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1hkc s VAL 150 CO 0.40 0.56 0.10 -0.83 0.00 0.00 0.00 175.10 175.33 1hkc s GLY 151 N 0.33 2.05 -0.13 4.51 0.00 -0.55 -1.22 107.32 112.31 1hkc s GLY 151 Ca -0.19 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.58 1hkc s GLY 151 CO 0.09 -0.88 0.00 -0.12 0.00 0.00 0.00 173.10 172.19 1hkc s PHE 152 N -1.35 0.98 -0.38 1.90 5.36 -0.75 -0.89 117.98 122.86 1hkc s PHE 152 Ca 0.28 -0.59 -0.14 0.00 -0.96 0.00 0.00 56.93 55.52 1hkc s PHE 152 Cb -0.12 -0.98 0.00 0.00 -0.34 0.00 0.00 43.02 41.58 1hkc s PHE 152 CO 0.20 -0.49 0.30 0.99 -1.46 0.00 0.00 175.22 174.76 1hkc s THR 153 N 1.87 5.25 -0.26 0.12 2.01 0.61 -0.32 115.64 124.93 1hkc s THR 153 Ca 0.02 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1hkc s THR 153 Cb -0.15 -3.85 0.06 0.00 0.01 0.00 0.00 72.50 68.57 1hkc s THR 153 CO -0.07 -0.19 -0.08 0.12 -0.69 0.00 0.00 174.62 173.71 1hkc s PHE 154 N 1.77 2.97 -1.25 4.92 5.36 -0.58 -1.34 117.98 129.83 1hkc s PHE 154 Ca 0.07 -2.15 -0.12 0.00 -0.96 0.00 0.00 56.93 53.76 1hkc s PHE 154 Cb -0.18 -1.85 0.16 0.00 -0.34 0.00 0.00 43.02 40.81 1hkc s PHE 154 CO 0.11 -0.85 1.64 -1.13 -1.46 0.00 0.00 175.22 173.53 1hkc n SER 155 N 4.51 5.14 -3.55 6.13 3.41 -1.12 -4.27 113.62 123.87 1hkc n SER 155 Ca -0.12 -3.03 -0.14 0.00 -0.26 0.00 0.00 58.87 55.32 1hkc n SER 155 Cb 0.43 -1.54 -0.05 0.00 -0.26 0.00 0.00 64.21 62.79 1hkc n SER 155 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1hkc s PHE 156 N 1.21 -0.45 -0.14 7.33 0.08 -1.26 -4.90 117.98 119.85 1hkc s PHE 156 Ca 0.42 0.48 -0.29 0.00 0.12 0.00 0.00 56.93 57.66 1hkc s PHE 156 Cb 0.03 0.37 -0.05 0.00 -0.57 0.00 0.00 43.02 42.81 1hkc s PHE 156 CO 0.00 -0.67 1.76 -1.25 -0.10 0.00 0.00 175.22 174.96 1hkc s PRO 157 N -2.59 3.86 0.06 0.24 0.04 -1.26 -4.94 135.00 130.41 1hkc s PRO 157 Ca -0.04 1.99 0.09 0.00 0.04 0.00 0.00 61.00 63.08 1hkc s PRO 157 Cb -0.01 -4.09 -0.03 0.00 0.04 0.00 0.00 34.50 30.42 1hkc s PRO 157 CO -0.03 -1.23 -0.26 0.00 0.04 0.00 0.00 177.00 175.53 1hkc s GLN 159 N -1.34 4.19 -0.13 0.00 -0.44 0.26 -4.84 119.66 117.37 1hkc s GLN 159 Ca 0.11 -0.20 -0.14 0.00 -2.50 0.00 0.00 55.36 52.64 1hkc s GLN 159 Cb -0.10 -3.42 0.04 0.00 -1.64 0.00 0.00 33.01 27.89 1hkc s GLN 159 CO 0.03 0.29 0.38 1.14 0.50 0.00 0.00 175.29 177.63 1hkc s GLN 160 N 0.38 0.49 0.00 1.67 -2.07 -1.26 0.48 119.66 119.34 1hkc s GLN 160 Ca 0.09 0.45 0.09 0.00 -1.82 0.00 0.00 55.36 54.17 1hkc s GLN 160 Cb -0.11 0.23 0.20 0.00 -1.09 0.00 0.00 33.01 32.24 1hkc s GLN 160 CO -0.01 -0.07 1.08 -1.13 -1.32 0.00 0.00 175.29 173.83 1hkc n SER 161 N 2.67 2.46 -3.58 12.60 3.41 -1.26 -4.90 113.62 125.02 1hkc n SER 161 Ca -0.14 -1.81 -0.11 0.00 -0.26 0.00 0.00 58.87 56.55 1hkc n SER 161 Cb 0.57 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1hkc n SER 161 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1hkc s LYS 162 N -0.93 0.64 0.45 4.33 -2.85 -1.26 -5.06 119.74 115.06 1hkc s LYS 162 Ca 0.17 0.24 0.27 0.00 -1.00 0.00 0.00 55.97 55.64 1hkc s LYS 162 Cb 0.09 0.30 1.31 0.00 -2.06 0.00 0.00 37.83 37.48 1hkc s LYS 162 CO 0.13 -0.18 1.75 0.97 0.10 0.00 0.00 175.35 178.12 1hkc h ILE 163 N 2.79 0.41 -0.96 3.79 6.09 -1.84 -2.23 117.51 125.56 1hkc h ILE 163 Ca -0.21 -0.07 -0.56 0.00 -1.37 0.00 0.00 64.86 62.64 1hkc h ILE 163 Cb 1.16 0.18 -0.29 0.00 0.47 0.00 0.00 36.82 38.33 1hkc h ILE 163 CO 0.29 0.04 0.67 -0.90 -3.07 0.00 0.00 178.15 175.17 1hkc n ASP 164 N -4.49 5.19 -3.87 2.19 5.75 -1.26 -1.30 116.55 118.77 1hkc n ASP 164 Ca 0.28 -3.69 -0.12 0.00 -0.01 0.00 0.00 54.79 51.25 1hkc n ASP 164 Cb 1.11 -0.87 -0.14 0.00 -1.03 0.00 0.00 41.12 40.20 1hkc n ASP 164 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1hkc s GLU 165 N -3.50 0.04 -0.34 0.11 2.12 -0.84 -4.93 118.70 111.37 1hkc s GLU 165 Ca 0.59 -0.03 0.04 0.00 0.36 0.00 0.00 54.97 55.93 1hkc s GLU 165 Cb 0.49 0.02 0.17 0.00 0.26 0.00 0.00 34.13 35.06 1hkc s GLU 165 CO 0.06 -0.01 0.48 0.00 -0.54 0.00 0.00 175.26 175.25 1hkc s ALA 166 N -0.12 -1.46 -0.43 6.30 0.00 -1.26 -4.59 121.76 120.20 1hkc s ALA 166 Ca -0.01 0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.76 1hkc s ALA 166 Cb -0.01 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.84 1hkc s ALA 166 CO -0.00 -1.96 0.83 0.42 0.00 0.00 0.00 175.76 175.05 1hkc s ILE 167 N 2.16 4.62 -0.06 0.00 1.09 0.18 -2.00 121.20 127.19 1hkc s ILE 167 Ca 0.13 0.66 -0.30 0.00 -1.10 0.00 0.00 60.65 60.04 1hkc s ILE 167 Cb -0.11 -4.33 -0.08 0.00 -1.06 0.00 0.00 42.46 36.88 1hkc s ILE 167 CO -0.18 -0.67 2.05 -0.11 -0.10 0.00 0.00 174.94 175.92 1hkc n LEU 168 N 6.77 3.78 0.20 2.97 7.94 -0.70 0.93 117.00 138.89 1hkc n LEU 168 Ca 0.04 0.69 -0.11 0.00 -1.11 0.00 0.00 56.01 55.51 1hkc n LEU 168 Cb 0.48 -1.51 -0.06 0.00 0.53 0.00 0.00 43.42 42.86 1hkc n LEU 168 CO 0.59 -0.11 0.34 0.40 -1.11 0.00 0.00 177.39 177.50 1hkc h ILE 169 N 6.11 0.26 -3.08 1.96 2.04 -0.60 0.27 117.51 124.47 1hkc h ILE 169 Ca -0.47 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 64.83 1hkc h ILE 169 Cb 1.25 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 1hkc h ILE 169 CO 0.95 0.06 0.19 0.42 0.00 0.00 0.00 178.15 179.77 1hkc s THR 170 N -3.89 0.00 0.39 -0.27 -4.23 -1.24 -4.33 115.64 102.08 1hkc s THR 170 Ca -0.11 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.30 1hkc s THR 170 Cb 0.01 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 1hkc s THR 170 CO 0.37 0.00 0.68 0.26 -0.54 0.00 0.00 174.62 175.39 1hkc s TRP 171 N -3.88 3.51 0.30 3.99 0.23 -1.26 -4.22 118.94 117.61 1hkc s TRP 171 Ca 0.12 0.73 -0.04 0.00 -2.03 0.00 0.00 56.10 54.89 1hkc s TRP 171 Cb -0.05 -2.20 -0.01 0.00 0.03 0.00 0.00 33.47 31.23 1hkc s TRP 171 CO 0.07 -0.06 0.40 0.95 0.96 0.00 0.00 176.95 179.28 1hkc s THR 172 N -2.42 0.00 0.00 2.01 -4.23 -1.26 -5.03 115.64 104.71 1hkc s THR 172 Ca 0.46 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1hkc s THR 172 Cb -0.10 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1hkc s THR 172 CO 0.37 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.74 1hkc n LYS 173 N -0.48 0.00 -0.31 3.99 5.02 -1.26 -2.94 118.16 122.18 1hkc n LYS 173 Ca 0.01 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.37 1hkc n LYS 173 Cb 0.62 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.85 1hkc n LYS 173 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1hkc n ARG 174 N 14.00 3.00 -3.48 1.97 1.85 -1.26 -4.89 116.66 127.85 1hkc n ARG 174 Ca 0.00 -2.40 -0.32 0.00 -1.00 0.00 0.00 57.85 54.14 1hkc n ARG 174 Cb 0.00 -1.51 -0.05 0.00 -1.05 0.00 0.00 32.46 29.85 1hkc n ARG 174 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1hkc s PHE 175 N -1.56 3.44 -0.29 2.89 0.40 -1.15 -4.77 117.98 116.94 1hkc s PHE 175 Ca 0.33 0.80 0.09 0.00 -0.60 0.00 0.00 56.93 57.55 1hkc s PHE 175 Cb 0.21 -2.20 0.30 0.00 0.51 0.00 0.00 43.02 41.84 1hkc s PHE 175 CO 0.16 0.31 1.27 1.17 0.70 0.00 0.00 175.22 178.84 1hkc n LYS 176 N -0.05 0.97 -2.72 0.44 3.00 0.20 -4.42 118.16 115.57 1hkc n LYS 176 Ca -0.00 -1.08 -0.42 0.00 -0.00 0.00 0.00 58.31 56.80 1hkc n LYS 176 Cb 0.52 0.20 -0.03 0.00 0.00 0.00 0.00 35.03 35.73 1hkc n LYS 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1hkc s ALA 177 N 0.11 3.29 0.71 3.14 0.00 -1.04 -4.39 121.76 123.59 1hkc s ALA 177 Ca 0.10 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 1hkc s ALA 177 Cb 0.32 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 20.10 1hkc s ALA 177 CO -0.09 -0.41 1.07 -1.54 0.00 0.00 0.00 175.76 174.80 1hkc s SER 178 N 1.04 5.27 -0.16 0.00 1.04 0.03 -4.05 113.70 116.87 1hkc s SER 178 Ca 0.49 1.43 0.00 0.00 0.48 0.00 0.00 55.95 58.35 1hkc s SER 178 Cb -0.19 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1hkc s SER 178 CO 0.22 -1.49 0.00 0.61 0.98 0.00 0.00 173.24 173.56 1hkc n GLY 179 N -2.29 0.47 0.36 7.32 0.00 -1.26 0.11 105.19 109.91 1hkc n GLY 179 Ca 0.07 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 1hkc n GLY 179 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1hkc n VAL 180 N -2.72 0.55 -1.59 1.61 0.31 -1.26 -4.78 118.33 110.45 1hkc n VAL 180 Ca -0.01 -0.18 -0.45 0.00 -0.01 0.00 0.00 64.34 63.69 1hkc n VAL 180 Cb 0.17 -1.23 -0.02 0.00 -0.91 0.00 0.00 33.84 31.85 1hkc n VAL 180 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1hkc n GLU 181 N -3.11 1.35 -0.72 5.55 1.02 -1.26 -0.28 120.64 123.19 1hkc n GLU 181 Ca -0.18 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1hkc n GLU 181 Cb 0.66 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1hkc n GLU 181 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hkc n GLY 182 N 1.30 1.30 3.77 0.62 0.00 0.95 -4.97 105.19 108.17 1hkc n GLY 182 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1hkc n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hkc s ALA 183 N -3.43 3.71 -0.51 4.61 0.00 0.62 -4.85 121.76 121.90 1hkc s ALA 183 Ca 0.00 -2.05 -0.19 0.00 0.00 0.00 0.00 51.96 49.71 1hkc s ALA 183 Cb 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 23.12 22.64 1hkc s ALA 183 CO 0.00 -0.18 0.64 0.34 0.00 0.00 0.00 175.76 176.55 1hkc s ASP 184 N -3.96 6.22 0.49 0.00 -1.08 -1.26 -1.73 116.67 115.35 1hkc s ASP 184 Ca 0.43 -0.95 0.22 0.00 -0.52 0.00 0.00 52.55 51.73 1hkc s ASP 184 Cb 0.02 -2.29 1.27 0.00 -1.46 0.00 0.00 42.92 40.46 1hkc s ASP 184 CO 0.24 -0.92 1.96 -0.37 0.52 0.00 0.00 175.17 176.60 1hkc h VAL 185 N 5.87 0.74 -0.21 1.11 -1.51 -1.73 -1.04 116.25 119.48 1hkc h VAL 185 Ca -0.28 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 65.13 1hkc h VAL 185 Cb 1.09 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 1hkc h VAL 185 CO 0.98 0.03 0.08 0.58 -1.23 0.00 0.00 177.57 178.01 1hkc h VAL 186 N 0.16 1.17 -0.65 7.19 2.07 -1.92 0.27 116.25 124.54 1hkc h VAL 186 Ca 0.31 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1hkc h VAL 186 Cb 1.01 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1hkc h VAL 186 CO -0.05 0.17 0.24 0.11 0.02 0.00 0.00 177.57 178.06 1hkc h LYS 187 N 0.18 0.98 -0.52 1.57 1.57 -1.62 0.17 116.57 118.90 1hkc h LYS 187 Ca 0.07 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1hkc h LYS 187 Cb 0.19 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1hkc h LYS 187 CO -0.00 0.84 0.31 -0.07 -0.57 0.00 0.00 179.45 179.96 1hkc h LEU 188 N 0.92 0.61 0.01 2.94 3.38 -0.85 0.39 115.31 122.71 1hkc h LEU 188 Ca 0.21 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1hkc h LEU 188 Cb 0.24 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1hkc h LEU 188 CO -0.01 0.47 -0.13 0.25 0.09 0.00 0.00 178.44 179.11 1hkc h LEU 189 N 0.71 0.10 -1.89 1.67 5.85 -0.01 -2.66 115.31 119.09 1hkc h LEU 189 Ca 0.19 -0.85 0.10 0.00 0.84 0.00 0.00 57.88 58.15 1hkc h LEU 189 Cb -0.02 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1hkc h LEU 189 CO -0.04 0.94 0.30 0.78 -0.34 0.00 0.00 178.44 180.09 1hkc h ASN 190 N -0.73 0.12 -0.40 1.25 2.35 -0.36 0.11 115.58 117.91 1hkc h ASN 190 Ca -0.02 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1hkc h ASN 190 Cb 0.97 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.31 1hkc h ASN 190 CO 0.03 0.07 0.07 0.50 -1.65 0.00 0.00 177.43 176.44 1hkc h LYS 191 N 0.13 0.66 -0.20 0.81 1.63 -0.17 -2.18 116.57 117.25 1hkc h LYS 191 Ca 0.20 -0.18 -0.19 0.00 -0.85 0.00 0.00 60.65 59.63 1hkc h LYS 191 Cb 0.63 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1hkc h LYS 191 CO -0.02 0.71 -0.65 0.00 -3.45 0.00 0.00 179.45 176.03 1hkc h ALA 192 N 0.93 0.47 -0.03 5.00 0.00 -0.59 -2.01 119.26 123.03 1hkc h ALA 192 Ca 0.12 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1hkc h ALA 192 Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1hkc h ALA 192 CO 0.01 0.69 -0.18 0.82 0.00 0.00 0.00 179.25 180.59 1hkc h ILE 193 N 0.54 1.15 0.14 0.00 2.04 -0.86 -2.99 117.51 117.53 1hkc h ILE 193 Ca -0.02 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1hkc h ILE 193 Cb 1.25 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1hkc h ILE 193 CO 0.13 0.20 -0.07 0.50 0.00 0.00 0.00 178.15 178.92 1hkc h LYS 194 N 0.04 -0.18 -0.94 2.37 3.64 -1.27 -1.33 116.57 118.91 1hkc h LYS 194 Ca 0.01 0.01 0.38 0.00 -1.27 0.00 0.00 60.65 59.78 1hkc h LYS 194 Cb 0.35 0.04 -0.17 0.00 -0.41 0.00 0.00 32.23 32.04 1hkc h LYS 194 CO 0.02 0.25 0.47 1.17 -2.27 0.00 0.00 179.45 179.10 1hkc n LYS 195 N -4.88 -0.06 0.04 1.90 0.00 -0.77 0.51 118.16 114.91 1hkc n LYS 195 Ca -0.07 1.30 -0.22 0.00 0.00 0.00 0.00 58.31 59.32 1hkc n LYS 195 Cb 0.25 -2.31 -0.14 0.00 0.00 0.00 0.00 35.03 32.83 1hkc n LYS 195 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 1hkc h ARG 196 N 0.00 0.32 -0.32 1.64 0.11 -1.60 -3.47 114.38 111.05 1hkc h ARG 196 Ca 0.78 -0.55 -0.14 0.00 0.10 0.00 0.00 59.98 60.18 1hkc h ARG 196 Cb 2.05 0.20 -0.05 0.00 1.11 0.00 0.00 29.97 33.28 1hkc h ARG 196 CO -0.73 1.26 -0.12 0.41 0.10 0.00 0.00 179.97 180.89 1hkc n GLY 197 N 1.81 0.63 0.35 0.08 0.00 0.18 -4.80 105.19 103.45 1hkc n GLY 197 Ca -0.25 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 1hkc n GLY 197 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1hkc h ASP 198 N 0.00 0.97 -0.78 1.61 1.82 -1.85 -3.46 116.42 114.73 1hkc h ASP 198 Ca -0.14 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 1hkc h ASP 198 Cb 1.11 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.87 1hkc h ASP 198 CO 0.20 0.77 0.00 0.00 -1.61 0.00 0.00 179.24 178.60 1hkc n TYR 199 N -4.36 0.00 -3.67 0.28 4.11 -1.26 -5.13 117.16 107.13 1hkc n TYR 199 Ca 0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.76 1hkc n TYR 199 Cb 0.08 0.00 -0.18 0.00 -0.00 0.00 0.00 39.34 39.25 1hkc n TYR 199 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1hkc s ASP 200 N 0.26 1.50 0.07 9.48 2.15 -1.26 -4.91 116.67 123.97 1hkc s ASP 200 Ca 0.00 -0.12 0.05 0.00 0.43 0.00 0.00 52.55 52.92 1hkc s ASP 200 Cb 0.00 -0.20 -0.04 0.00 -0.30 0.00 0.00 42.92 42.38 1hkc s ASP 200 CO 0.00 -0.27 -0.06 0.00 -0.17 0.00 0.00 175.17 174.67 1hkc s ALA 201 N 2.14 3.08 -0.75 3.66 0.00 -1.26 -4.78 121.76 123.85 1hkc s ALA 201 Ca 0.04 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1hkc s ALA 201 Cb -0.13 -1.05 0.20 0.00 0.00 0.00 0.00 23.12 22.14 1hkc s ALA 201 CO -0.05 0.65 0.65 -1.71 0.00 0.00 0.00 175.76 175.30 1hkc n ASN 202 N 0.88 3.56 -4.56 0.00 4.05 -1.26 -5.02 115.26 112.91 1hkc n ASN 202 Ca -0.13 -3.25 -0.29 0.00 0.45 0.00 0.00 54.58 51.36 1hkc n ASN 202 Cb 0.52 -0.82 -0.05 0.00 1.23 0.00 0.00 39.78 40.66 1hkc n ASN 202 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1hkc s ILE 203 N -1.71 3.47 -0.13 -1.44 1.01 -1.26 0.83 121.20 121.97 1hkc s ILE 203 Ca 0.29 -0.33 0.15 0.00 0.00 0.00 0.00 60.65 60.76 1hkc s ILE 203 Cb -0.01 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1hkc s ILE 203 CO -0.12 -1.01 1.31 -0.37 0.00 0.00 0.00 174.94 174.76 1hkc h VAL 204 N 7.19 0.87 -3.26 2.92 -1.51 -1.54 -3.48 116.25 117.43 1hkc h VAL 204 Ca 0.06 -2.28 -0.08 0.00 -1.23 0.00 0.00 66.70 63.18 1hkc h VAL 204 Cb 1.02 2.39 -0.16 0.00 -2.13 0.00 0.00 31.29 32.41 1hkc h VAL 204 CO 1.22 0.49 -0.16 0.00 -1.23 0.00 0.00 177.57 177.90 1hkc s ALA 205 N -2.93 -0.82 -0.07 5.19 0.00 -1.24 -3.99 121.76 117.89 1hkc s ALA 205 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1hkc s ALA 205 Cb 0.08 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1hkc s ALA 205 CO 0.76 -0.49 -0.04 0.08 0.00 0.00 0.00 175.76 176.07 1hkc s VAL 206 N -2.93 0.64 0.08 0.00 1.01 -0.42 -1.80 120.40 116.98 1hkc s VAL 206 Ca -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1hkc s VAL 206 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1hkc s VAL 206 CO -0.06 0.28 -0.09 0.68 0.00 0.00 0.00 175.10 175.91 1hkc s VAL 207 N 1.41 0.78 0.61 2.92 -7.23 0.56 -4.86 120.40 114.59 1hkc s VAL 207 Ca -0.03 -1.47 -0.13 0.00 -1.81 0.00 0.00 61.98 58.54 1hkc s VAL 207 Cb -0.13 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 1hkc s VAL 207 CO -0.03 -0.53 1.03 0.21 -0.31 0.00 0.00 175.10 175.47 1hkc s ASN 208 N -2.20 6.08 0.37 4.85 3.84 -1.26 -1.53 114.94 125.10 1hkc s ASN 208 Ca 0.01 1.54 0.09 0.00 0.21 0.00 0.00 52.86 54.70 1hkc s ASN 208 Cb -0.04 -2.49 0.73 0.00 -0.55 0.00 0.00 41.25 38.90 1hkc s ASN 208 CO -0.01 -0.97 1.88 -2.24 -2.79 0.00 0.00 177.10 172.98 1hkc h ASP 209 N -0.07 0.24 -0.65 -4.21 2.03 -1.92 -1.18 116.42 110.66 1hkc h ASP 209 Ca -0.45 -0.05 -0.07 0.00 -0.73 0.00 0.00 57.03 55.73 1hkc h ASP 209 Cb 1.20 -0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 39.61 1hkc h ASP 209 CO 0.60 0.42 0.13 0.71 -1.03 0.00 0.00 179.24 180.08 1hkc h THR 210 N 0.23 1.26 -0.28 1.15 1.35 -1.92 -0.75 112.91 113.95 1hkc h THR 210 Ca 0.05 -0.99 -0.03 0.00 -0.55 0.00 0.00 66.41 64.89 1hkc h THR 210 Cb 0.43 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 1hkc h THR 210 CO 0.03 0.37 0.06 0.58 -0.25 0.00 0.00 175.52 176.31 1hkc h VAL 211 N 1.01 1.22 -0.70 6.82 2.07 -1.70 -1.66 116.25 123.30 1hkc h VAL 211 Ca 0.21 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 67.05 1hkc h VAL 211 Cb 0.40 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1hkc h VAL 211 CO 0.01 0.24 0.41 1.23 0.02 0.00 0.00 177.57 179.48 1hkc h GLY 212 N 0.28 1.03 0.94 2.17 0.00 -0.93 -0.14 103.07 106.42 1hkc h GLY 212 Ca 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1hkc h GLY 212 CO 0.00 0.20 0.16 -0.84 0.00 0.00 0.00 176.54 176.06 1hkc h THR 213 N 0.77 1.16 -0.89 4.70 2.02 -0.84 0.29 112.91 120.12 1hkc h THR 213 Ca 0.30 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1hkc h THR 213 Cb 0.14 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1hkc h THR 213 CO -0.16 0.17 0.52 -0.03 0.37 0.00 0.00 175.52 176.38 1hkc h MET 214 N 0.39 1.21 0.18 6.66 -1.53 -0.90 -1.77 114.93 119.17 1hkc h MET 214 Ca 0.11 -0.12 -0.01 0.00 -3.44 0.00 0.00 59.70 56.24 1hkc h MET 214 Cb 0.12 -0.25 0.00 0.00 -0.55 0.00 0.00 31.60 30.92 1hkc h MET 214 CO -0.01 0.86 -0.09 0.52 0.14 0.00 0.00 176.91 178.33 1hkc h MET 215 N 1.23 -0.23 -0.72 0.39 2.86 -0.60 0.06 114.93 117.92 1hkc h MET 215 Ca 0.32 0.02 0.20 0.00 -2.06 0.00 0.00 59.70 58.17 1hkc h MET 215 Cb -0.02 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1hkc h MET 215 CO -0.06 0.13 0.51 1.15 1.06 0.00 0.00 176.91 179.70 1hkc h THR 216 N -0.65 0.67 0.00 2.22 2.02 -0.27 -1.56 112.91 115.34 1hkc h THR 216 Ca -0.02 -0.03 -0.16 0.00 0.77 0.00 0.00 66.41 66.96 1hkc h THR 216 Cb 0.47 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1hkc h THR 216 CO 0.04 0.01 -1.83 0.00 0.37 0.00 0.00 175.52 174.11 1hkc h GLY 218 N 3.90 0.00 1.01 0.00 0.00 -0.06 -0.85 103.07 107.07 1hkc h GLY 218 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1hkc h GLY 218 CO 0.03 0.00 0.41 -1.82 0.00 0.00 0.00 176.54 175.15 1hkc h TYR 219 N 0.00 1.05 -0.00 5.60 3.20 -1.45 -2.39 116.97 122.97 1hkc h TYR 219 Ca -0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1hkc h TYR 219 Cb 0.76 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1hkc h TYR 219 CO 0.00 0.74 -0.48 -0.25 -1.64 0.00 0.00 178.16 176.53 1hkc n ASP 220 N -4.44 0.59 -3.33 -2.11 8.00 -1.00 -4.74 116.55 109.53 1hkc n ASP 220 Ca 0.07 -0.37 -0.09 0.00 0.71 0.00 0.00 54.79 55.11 1hkc n ASP 220 Cb 0.10 0.26 -0.07 0.00 -0.02 0.00 0.00 41.12 41.39 1hkc n ASP 220 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hkc s ASP 221 N -2.93 0.30 0.00 -2.24 -1.08 -0.36 -5.00 116.67 105.36 1hkc s ASP 221 Ca 0.13 -0.00 0.06 0.00 -0.52 0.00 0.00 52.55 52.21 1hkc s ASP 221 Cb 0.18 1.12 0.35 0.00 -1.46 0.00 0.00 42.92 43.11 1hkc s ASP 221 CO 0.68 -0.32 0.74 0.00 0.52 0.00 0.00 175.17 176.79 1hkc n GLN 222 N 5.36 0.31 -0.03 4.34 1.13 -1.17 -1.96 117.38 125.37 1hkc n GLN 222 Ca -0.02 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.16 1hkc n GLN 222 Cb 0.50 -1.29 0.21 0.00 0.11 0.00 0.00 30.24 29.77 1hkc n GLN 222 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1hkc n HIS 223 N -0.79 0.07 -2.25 1.08 8.25 -1.26 -4.95 115.22 115.37 1hkc n HIS 223 Ca 0.04 -0.04 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 1hkc n HIS 223 Cb 0.02 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 1hkc n HIS 223 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hkc n GLU 225 N 4.24 0.00 -3.79 0.00 1.02 -1.17 -4.92 120.64 116.01 1hkc n GLU 225 Ca 0.11 -0.16 -0.13 0.00 -0.02 0.00 0.00 57.16 56.97 1hkc n GLU 225 Cb 0.44 -0.52 -0.13 0.00 -0.02 0.00 0.00 31.44 31.20 1hkc n GLU 225 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1hkc s VAL 226 N -0.01 -0.02 -0.14 2.62 1.01 -1.25 -0.73 120.40 121.88 1hkc s VAL 226 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1hkc s VAL 226 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 36.16 1hkc s VAL 226 CO 0.00 0.03 -0.17 -0.83 0.00 0.00 0.00 175.10 174.13 1hkc s GLY 227 N 0.50 1.45 -0.12 4.51 0.00 0.31 -0.07 107.32 113.90 1hkc s GLY 227 Ca -0.04 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.68 1hkc s GLY 227 CO -0.02 -0.06 -0.16 -2.27 0.00 0.00 0.00 173.10 170.58 1hkc s LEU 228 N 0.68 1.79 -0.14 0.66 2.96 0.25 -0.98 118.68 123.89 1hkc s LEU 228 Ca -0.08 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 1hkc s LEU 228 Cb -0.16 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.35 1hkc s LEU 228 CO 0.02 0.02 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.35 1hkc s ILE 229 N 1.00 3.44 -0.38 6.68 -1.09 0.15 -1.85 121.20 129.15 1hkc s ILE 229 Ca -0.06 -0.52 0.02 0.00 -2.23 0.00 0.00 60.65 57.86 1hkc s ILE 229 Cb -0.15 -2.47 0.15 0.00 -1.58 0.00 0.00 42.46 38.41 1hkc s ILE 229 CO -0.02 0.51 0.27 -0.63 -1.23 0.00 0.00 174.94 173.83 1hkc s ILE 230 N 0.34 0.28 0.00 2.92 1.01 0.31 -2.04 121.20 124.03 1hkc s ILE 230 Ca -0.08 -2.13 0.00 0.00 0.00 0.00 0.00 60.65 58.44 1hkc s ILE 230 Cb -0.15 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.11 1hkc s ILE 230 CO 0.04 -1.09 0.00 0.61 0.00 0.00 0.00 174.94 174.51 1hkc n GLY 231 N 3.53 4.34 0.28 6.18 0.00 -1.26 -2.56 105.19 115.70 1hkc n GLY 231 Ca 0.19 -0.47 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 1hkc n GLY 231 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1hkc h THR 232 N 0.00 0.34 -5.12 2.61 2.02 -1.93 0.51 112.91 111.34 1hkc h THR 232 Ca 0.00 0.00 -0.45 0.00 0.77 0.00 0.00 66.41 66.73 1hkc h THR 232 Cb 0.00 0.34 -0.06 0.00 -1.74 0.00 0.00 68.15 66.70 1hkc h THR 232 CO 0.00 0.00 -0.26 0.61 0.37 0.00 0.00 175.52 176.24 1hkc n GLY 233 N -1.40 3.19 2.92 2.16 0.00 -1.26 -2.52 105.19 108.28 1hkc n GLY 233 Ca 0.03 -2.29 -0.12 0.00 0.00 0.00 0.00 46.02 43.64 1hkc n GLY 233 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1hkc s THR 234 N -2.13 0.01 -0.05 2.61 -1.32 -1.26 -4.23 115.64 109.27 1hkc s THR 234 Ca 0.13 -0.10 -0.30 0.00 -1.21 0.00 0.00 61.69 60.21 1hkc s THR 234 Cb -0.01 -0.09 0.11 0.00 -1.51 0.00 0.00 72.50 71.00 1hkc s THR 234 CO 0.09 -0.06 0.95 0.21 -2.21 0.00 0.00 174.62 173.59 1hkc s ASN 235 N -0.15 -0.33 -0.06 8.08 2.47 -0.86 -4.09 114.94 119.99 1hkc s ASN 235 Ca -0.02 0.05 -0.05 0.00 0.42 0.00 0.00 52.86 53.26 1hkc s ASN 235 Cb -0.01 0.34 0.01 0.00 -1.45 0.00 0.00 41.25 40.14 1hkc s ASN 235 CO -0.00 -0.53 0.15 0.00 -3.72 0.00 0.00 177.10 173.00 1hkc s ALA 236 N -2.77 -0.38 0.11 1.71 0.00 -1.26 -0.67 121.76 118.50 1hkc s ALA 236 Ca 0.05 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.49 1hkc s ALA 236 Cb -0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1hkc s ALA 236 CO -0.07 -0.08 -0.18 0.00 0.00 0.00 0.00 175.76 175.43 1hkc s TYR 238 N -1.51 1.04 -0.39 0.00 1.13 -0.82 -0.53 117.35 116.26 1hkc s TYR 238 Ca 0.07 -1.25 -0.15 0.00 -1.41 0.00 0.00 57.07 54.33 1hkc s TYR 238 Cb -0.08 -0.20 0.01 0.00 -1.10 0.00 0.00 41.96 40.59 1hkc s TYR 238 CO 0.04 -0.99 0.30 -1.64 -2.51 0.00 0.00 175.55 170.75 1hkc s MET 239 N -3.48 3.11 0.15 -3.49 -1.94 0.09 0.08 119.30 113.82 1hkc s MET 239 Ca 0.32 -0.91 0.07 0.00 -1.71 0.00 0.00 55.69 53.45 1hkc s MET 239 Cb 0.01 -3.94 -0.04 0.00 2.01 0.00 0.00 34.83 32.87 1hkc s MET 239 CO 0.18 -0.68 -0.00 -2.00 -0.01 0.00 0.00 175.02 172.50 1hkc s GLU 240 N 1.72 2.44 -0.01 2.03 2.56 -0.69 -4.94 118.70 121.81 1hkc s GLU 240 Ca 0.06 -1.03 -0.30 0.00 0.00 0.00 0.00 54.97 53.70 1hkc s GLU 240 Cb -0.18 -2.41 -0.05 0.00 2.00 0.00 0.00 34.13 33.49 1hkc s GLU 240 CO 0.10 0.48 1.34 -1.21 -0.56 0.00 0.00 175.26 175.41 1hkc s GLU 241 N -2.75 4.31 0.33 4.30 0.41 -1.26 -1.90 118.70 122.14 1hkc s GLU 241 Ca 0.27 1.88 0.10 0.00 -0.41 0.00 0.00 54.97 56.81 1hkc s GLU 241 Cb -0.10 -3.55 0.86 0.00 -1.78 0.00 0.00 34.13 29.56 1hkc s GLU 241 CO 0.18 -0.53 1.78 1.25 -0.49 0.00 0.00 175.26 177.45 1hkc h LEU 242 N 8.21 0.68 -0.75 1.80 7.12 -1.76 0.54 115.31 131.14 1hkc h LEU 242 Ca -0.37 0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.73 1hkc h LEU 242 Cb 1.18 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.28 1hkc h LEU 242 CO 0.89 0.21 0.00 -2.11 -0.13 0.00 0.00 178.44 177.30 1hkc n ARG 243 N -4.73 0.43 0.00 1.25 1.85 -1.26 -1.25 116.66 112.94 1hkc n ARG 243 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.09 1hkc n ARG 243 Cb 0.66 -1.16 0.00 0.00 -1.05 0.00 0.00 32.46 30.91 1hkc n ARG 243 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1hkc n HIS 244 N 0.09 0.00 -2.51 2.89 8.25 0.19 -4.88 115.22 119.24 1hkc n HIS 244 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1hkc n HIS 244 Cb 0.08 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.20 1hkc n HIS 244 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1hkc n ILE 245 N -0.48 5.07 -0.63 1.59 5.41 -0.38 -4.69 119.36 125.25 1hkc n ILE 245 Ca 0.00 -5.07 0.48 0.00 1.00 0.00 0.00 62.75 59.16 1hkc n ILE 245 Cb 0.00 -2.10 0.75 0.00 -0.71 0.00 0.00 39.64 37.57 1hkc n ILE 245 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1hkc n ASP 246 N 2.12 0.04 -1.20 4.38 8.00 -1.24 -0.64 116.55 128.02 1hkc n ASP 246 Ca 0.41 1.01 0.04 0.00 0.71 0.00 0.00 54.79 56.96 1hkc n ASP 246 Cb 0.32 -0.50 0.22 0.00 -0.02 0.00 0.00 41.12 41.13 1hkc n ASP 246 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1hkc n LEU 247 N -3.95 3.43 -3.66 0.64 4.77 -1.26 -4.69 117.00 112.27 1hkc n LEU 247 Ca 0.41 -1.74 -0.23 0.00 -0.03 0.00 0.00 56.01 54.42 1hkc n LEU 247 Cb 1.82 -0.56 -0.17 0.00 -2.33 0.00 0.00 43.42 42.17 1hkc n LEU 247 CO 0.37 0.47 -0.34 -0.69 -1.33 0.00 0.00 177.39 175.86 1hkc s VAL 248 N -1.90 0.01 0.15 4.08 1.01 0.19 -5.10 120.40 118.84 1hkc s VAL 248 Ca 0.29 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 1hkc s VAL 248 Cb 0.22 -0.45 -0.10 0.00 0.00 0.00 0.00 36.38 36.05 1hkc s VAL 248 CO 0.10 -0.04 1.71 -1.61 0.00 0.00 0.00 175.10 175.26 1hkc s GLU 249 N 2.11 4.16 0.00 2.72 2.02 -1.26 -4.83 118.70 123.62 1hkc s GLU 249 Ca 0.03 2.50 0.00 0.00 0.02 0.00 0.00 54.97 57.52 1hkc s GLU 249 Cb -0.14 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 30.73 1hkc s GLU 249 CO -0.06 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 174.88 1hkc n GLY 250 N 4.02 -0.38 0.00 -1.39 0.00 -1.26 -5.04 105.19 101.14 1hkc n GLY 250 Ca 0.16 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1hkc n GLY 250 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hkc n ASP 251 N 3.00 0.00 -4.59 1.61 5.75 -1.26 -4.66 116.55 116.39 1hkc n ASP 251 Ca 0.00 -0.32 -0.34 0.00 -0.01 0.00 0.00 54.79 54.12 1hkc n ASP 251 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 1hkc n ASP 251 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1hkc s GLU 252 N 0.00 3.90 2.31 0.11 -1.05 -1.26 -4.29 118.70 118.42 1hkc s GLU 252 Ca 0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 1hkc s GLU 252 Cb 0.00 -3.17 0.00 0.00 -0.44 0.00 0.00 34.13 30.52 1hkc s GLU 252 CO 0.00 0.23 0.00 0.41 0.95 0.00 0.00 175.26 176.85 1hkc n GLY 253 N 3.64 -0.99 3.31 -3.83 0.00 -1.26 -4.82 105.19 101.24 1hkc n GLY 253 Ca -0.17 -1.27 -0.17 0.00 0.00 0.00 0.00 46.02 44.42 1hkc n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hkc s ARG 254 N 0.00 1.27 -0.05 1.61 0.52 -1.26 -2.31 118.95 118.73 1hkc s ARG 254 Ca 0.00 -1.62 -0.04 0.00 -0.52 0.00 0.00 55.73 53.55 1hkc s ARG 254 Cb 0.00 -0.67 0.02 0.00 0.52 0.00 0.00 34.95 34.82 1hkc s ARG 254 CO 0.00 -0.03 0.13 1.41 0.02 0.00 0.00 175.30 176.83 1hkc s MET 255 N -3.82 0.14 0.02 3.54 -2.45 -0.80 -4.22 119.30 111.72 1hkc s MET 255 Ca 0.25 0.20 -0.30 0.00 -1.25 0.00 0.00 55.69 54.58 1hkc s MET 255 Cb 0.04 0.04 -0.05 0.00 1.25 0.00 0.00 34.83 36.12 1hkc s MET 255 CO 0.07 -0.04 1.19 0.00 1.05 0.00 0.00 175.02 177.29 1hkc s ILE 257 N 1.49 4.51 -0.72 0.00 -1.09 0.11 -1.56 121.20 123.93 1hkc s ILE 257 Ca 0.58 -0.15 -0.16 0.00 -2.23 0.00 0.00 60.65 58.69 1hkc s ILE 257 Cb -0.27 -2.96 0.17 0.00 -1.58 0.00 0.00 42.46 37.81 1hkc s ILE 257 CO 0.27 0.54 0.71 0.21 -1.23 0.00 0.00 174.94 175.44 1hkc s ASN 258 N -0.23 6.51 0.25 3.58 2.47 0.32 -1.94 114.94 125.90 1hkc s ASN 258 Ca 0.07 -2.20 -0.03 0.00 0.42 0.00 0.00 52.86 51.11 1hkc s ASN 258 Cb -0.12 -2.24 0.43 0.00 -1.45 0.00 0.00 41.25 37.86 1hkc s ASN 258 CO 0.02 -0.77 1.82 0.71 -3.72 0.00 0.00 177.10 175.15 1hkc h THR 259 N 5.35 0.92 -5.06 -5.21 1.35 -1.76 -0.60 112.91 107.90 1hkc h THR 259 Ca -0.06 -0.29 -0.30 0.00 -0.55 0.00 0.00 66.41 65.21 1hkc h THR 259 Cb 1.06 0.00 0.13 0.00 -1.73 0.00 0.00 68.15 67.62 1hkc h THR 259 CO 0.91 0.15 -0.62 -0.62 -0.25 0.00 0.00 175.52 175.10 1hkc n GLU 260 N -4.71 -5.99 0.00 4.72 -0.58 -1.26 -2.55 120.64 110.27 1hkc n GLU 260 Ca 0.15 0.71 0.06 0.00 -0.42 0.00 0.00 57.16 57.66 1hkc n GLU 260 Cb 0.29 -5.33 0.37 0.00 -0.57 0.00 0.00 31.44 26.19 1hkc n GLU 260 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1hkc n TRP 261 N -3.99 0.00 0.23 -0.32 2.14 -1.26 -2.67 117.44 111.56 1hkc n TRP 261 Ca -0.15 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.50 1hkc n TRP 261 Cb 0.61 -0.06 0.54 0.00 -0.81 0.00 0.00 31.31 31.59 1hkc n TRP 261 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 1hkc h GLY 262 N 2.02 0.00 0.34 -1.67 0.00 -1.90 -1.83 103.07 100.03 1hkc h GLY 262 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hkc h GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1hkc n ALA 263 N -2.34 2.62 -1.68 3.60 0.00 -1.09 -2.35 120.51 119.28 1hkc n ALA 263 Ca -0.01 -0.27 -0.46 0.00 0.00 0.00 0.00 53.44 52.69 1hkc n ALA 263 Cb 0.33 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 1hkc n ALA 263 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1hkc n PHE 264 N -0.52 2.34 -0.25 0.00 7.35 -0.69 -0.98 117.46 124.72 1hkc n PHE 264 Ca 0.19 0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 1hkc n PHE 264 Cb 0.18 -2.62 0.00 0.00 0.35 0.00 0.00 39.48 37.39 1hkc n PHE 264 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1hkc n GLY 265 N 3.93 1.01 0.00 7.13 0.00 -1.26 -2.53 105.19 113.47 1hkc n GLY 265 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 1hkc n GLY 265 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hkc n ASP 266 N 0.00 0.00 -0.24 1.61 9.92 -0.16 -1.15 116.55 126.53 1hkc n ASP 266 Ca 0.00 -0.16 0.02 0.00 -0.53 0.00 0.00 54.79 54.13 1hkc n ASP 266 Cb 0.00 -0.01 0.05 0.00 -0.64 0.00 0.00 41.12 40.52 1hkc n ASP 266 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1hkc n ASP 267 N -1.01 2.04 0.00 -2.24 5.75 -1.26 -4.95 116.55 114.88 1hkc n ASP 267 Ca 0.04 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1hkc n ASP 267 Cb 0.02 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1hkc n ASP 267 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hkc n GLY 268 N 0.04 2.43 0.35 6.12 0.00 -0.30 -4.98 105.19 108.84 1hkc n GLY 268 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1hkc n GLY 268 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1hkc h SER 269 N 0.00 0.00 -0.08 1.61 0.02 -1.94 -2.00 113.55 111.16 1hkc h SER 269 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1hkc h SER 269 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1hkc h SER 269 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 1hkc n LEU 270 N -2.87 1.91 0.10 5.07 4.77 -1.26 -4.68 117.00 120.04 1hkc n LEU 270 Ca 0.00 -1.41 0.19 0.00 -0.03 0.00 0.00 56.01 54.76 1hkc n LEU 270 Cb 0.60 -0.05 0.64 0.00 -2.33 0.00 0.00 43.42 42.28 1hkc n LEU 270 CO 0.11 0.44 1.17 -0.33 -1.33 0.00 0.00 177.39 177.46 1hkc h GLU 271 N 1.14 0.00 0.00 3.23 4.39 -1.68 0.28 114.58 121.93 1hkc h GLU 271 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1hkc h GLU 271 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1hkc h GLU 271 CO 0.00 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 177.45 1hkc n ASP 272 N -3.35 0.77 -0.08 1.42 5.75 -1.26 -3.47 116.55 116.32 1hkc n ASP 272 Ca 0.08 0.61 0.02 0.00 -0.01 0.00 0.00 54.79 55.49 1hkc n ASP 272 Cb 0.79 -0.81 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1hkc n ASP 272 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1hkc n ILE 273 N -2.27 0.00 -3.29 2.12 -5.35 0.94 -5.01 119.36 106.51 1hkc n ILE 273 Ca 0.04 -0.47 -0.37 0.00 -0.27 0.00 0.00 62.75 61.68 1hkc n ILE 273 Cb 0.35 1.04 -0.06 0.00 -1.74 0.00 0.00 39.64 39.23 1hkc n ILE 273 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1hkc s ARG 274 N -0.67 4.13 0.55 6.28 0.52 -1.03 -4.95 118.95 123.77 1hkc s ARG 274 Ca 0.03 0.66 0.08 0.00 -0.52 0.00 0.00 55.73 55.98 1hkc s ARG 274 Cb 0.03 -3.10 0.06 0.00 0.52 0.00 0.00 34.95 32.46 1hkc s ARG 274 CO 0.07 0.56 0.64 0.95 0.02 0.00 0.00 175.30 177.54 1hkc s THR 275 N -1.27 2.05 0.48 0.02 -4.23 -1.26 -4.96 115.64 106.48 1hkc s THR 275 Ca 0.33 -1.17 0.27 0.00 -1.18 0.00 0.00 61.69 59.94 1hkc s THR 275 Cb -0.18 -2.23 0.31 0.00 1.34 0.00 0.00 72.50 71.74 1hkc s THR 275 CO 0.19 0.00 2.13 1.05 -0.54 0.00 0.00 174.62 177.46 1hkc h GLU 276 N 0.43 0.00 0.04 3.99 4.11 -1.99 -1.09 114.58 120.07 1hkc h GLU 276 Ca -0.33 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 58.87 1hkc h GLU 276 Cb 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1hkc h GLU 276 CO 0.47 0.08 -1.02 0.74 0.07 0.00 0.00 179.01 179.35 1hkc h PHE 277 N 0.00 0.50 -0.37 2.06 0.04 -1.98 -2.23 116.94 114.97 1hkc h PHE 277 Ca -0.00 -0.30 -0.06 0.00 2.80 0.00 0.00 57.97 60.40 1hkc h PHE 277 Cb 0.21 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1hkc h PHE 277 CO 0.00 1.15 -0.01 -0.44 -0.60 0.00 0.00 178.31 178.41 1hkc h ASP 278 N 0.15 0.65 -0.09 2.17 3.32 -1.60 -1.89 116.42 119.14 1hkc h ASP 278 Ca -0.09 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 56.55 1hkc h ASP 278 Cb 1.68 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 1hkc h ASP 278 CO 0.17 0.81 -0.22 0.03 -1.72 0.00 0.00 179.24 178.31 1hkc h ARG 279 N 0.48 0.50 -0.28 3.56 3.08 -1.35 -2.33 114.38 118.05 1hkc h ARG 279 Ca 0.10 -0.18 -0.16 0.00 0.07 0.00 0.00 59.98 59.81 1hkc h ARG 279 Cb 0.49 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1hkc h ARG 279 CO 0.02 0.70 -0.47 1.49 -1.07 0.00 0.00 179.97 180.64 1hkc h GLU 280 N 0.45 0.76 -0.65 0.04 4.81 -1.29 -1.97 114.58 116.72 1hkc h GLU 280 Ca 0.07 -0.43 0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1hkc h GLU 280 Cb 0.64 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1hkc h GLU 280 CO 0.05 1.06 0.43 0.82 -0.73 0.00 0.00 179.01 180.64 1hkc h ILE 281 N 0.60 1.13 -0.34 2.32 1.08 -1.10 -2.28 117.51 118.92 1hkc h ILE 281 Ca 0.03 -0.28 -0.13 0.00 -0.39 0.00 0.00 64.86 64.09 1hkc h ILE 281 Cb 1.04 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 1hkc h ILE 281 CO 0.10 0.15 -0.30 -0.78 -0.69 0.00 0.00 178.15 176.64 1hkc h ASP 282 N 0.83 0.85 -0.06 1.72 3.58 -1.08 -3.09 116.42 119.17 1hkc h ASP 282 Ca 0.25 -0.46 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 1hkc h ASP 282 Cb -0.02 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 1hkc h ASP 282 CO -0.06 1.13 -0.01 0.03 -2.88 0.00 0.00 179.24 177.44 1hkc h ARG 283 N 0.58 0.20 -0.39 0.28 3.08 -0.81 -1.70 114.38 115.62 1hkc h ARG 283 Ca 0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1hkc h ARG 283 Cb 0.87 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1hkc h ARG 283 CO 0.08 0.23 0.00 0.41 -1.07 0.00 0.00 179.97 179.62 1hkc n GLY 284 N -1.22 1.17 3.92 0.04 0.00 -0.99 -4.96 105.19 103.15 1hkc n GLY 284 Ca -0.01 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1hkc n GLY 284 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hkc s SER 285 N -1.26 5.66 0.18 1.61 1.04 -0.64 -5.01 113.70 115.29 1hkc s SER 285 Ca 0.35 0.67 -0.07 0.00 0.48 0.00 0.00 55.95 57.38 1hkc s SER 285 Cb 0.19 -1.71 0.09 0.00 0.10 0.00 0.00 66.02 64.69 1hkc s SER 285 CO 0.26 -0.99 1.56 0.25 0.98 0.00 0.00 173.24 175.29 1hkc h LEU 286 N -0.08 0.85 -6.24 2.42 5.85 -1.90 -3.34 115.31 112.88 1hkc h LEU 286 Ca -0.46 -0.35 -0.61 0.00 0.84 0.00 0.00 57.88 57.30 1hkc h LEU 286 Cb 1.25 -0.24 -0.41 0.00 0.37 0.00 0.00 40.66 41.63 1hkc h LEU 286 CO 0.60 1.10 -0.50 -0.46 -0.34 0.00 0.00 178.44 178.83 1hkc n ASN 287 N -4.07 3.94 -4.70 1.25 6.94 -1.26 -5.08 115.26 112.28 1hkc n ASN 287 Ca -0.01 -3.45 -0.44 0.00 -0.02 0.00 0.00 54.58 50.67 1hkc n ASN 287 Cb 0.49 -0.71 -0.02 0.00 -2.36 0.00 0.00 39.78 37.18 1hkc n ASN 287 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1hkc n PRO 288 N 0.88 2.27 -0.44 -0.53 -0.04 -1.25 -1.93 135.00 133.95 1hkc n PRO 288 Ca 0.30 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.56 1hkc n PRO 288 Cb 0.40 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1hkc n PRO 288 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hkc n GLY 289 N 2.17 1.38 3.57 0.55 0.00 -1.26 -5.03 105.19 106.57 1hkc n GLY 289 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1hkc n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hkc s LYS 290 N -0.28 2.05 -1.50 1.61 -0.14 -0.81 -4.66 119.74 116.00 1hkc s LYS 290 Ca 0.00 -1.30 -0.13 0.00 -1.36 0.00 0.00 55.97 53.18 1hkc s LYS 290 Cb 0.00 -2.14 0.07 0.00 -1.68 0.00 0.00 37.83 34.08 1hkc s LYS 290 CO 0.00 0.42 1.02 1.04 -0.76 0.00 0.00 175.35 177.07 1hkc n GLN 291 N -0.05 -5.97 -0.14 1.68 1.13 -1.26 -4.86 117.38 107.92 1hkc n GLN 291 Ca -0.10 0.64 0.04 0.00 -1.94 0.00 0.00 57.00 55.64 1hkc n GLN 291 Cb 0.56 -5.56 0.34 0.00 0.11 0.00 0.00 30.24 25.69 1hkc n GLN 291 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1hkc h LEU 292 N -2.20 0.67 -0.07 1.08 3.38 -1.76 -1.14 115.31 115.27 1hkc h LEU 292 Ca -0.58 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 1hkc h LEU 292 Cb 1.37 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1hkc h LEU 292 CO 0.65 0.46 -0.14 0.15 0.09 0.00 0.00 178.44 179.66 1hkc h PHE 293 N 0.78 0.27 -0.98 1.13 3.57 -1.19 -3.18 116.94 117.34 1hkc h PHE 293 Ca 0.25 -0.10 0.14 0.00 3.53 0.00 0.00 57.97 61.79 1hkc h PHE 293 Cb 0.05 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.65 1hkc h PHE 293 CO -0.00 0.73 0.60 1.49 -2.23 0.00 0.00 178.31 178.90 1hkc h GLU 294 N -0.27 0.88 0.00 1.11 4.81 -1.06 0.13 114.58 120.18 1hkc h GLU 294 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1hkc h GLU 294 Cb 0.71 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1hkc h GLU 294 CO 0.03 0.58 0.00 1.63 -0.73 0.00 0.00 179.01 180.52 1hkc n LYS 295 N -4.68 0.45 0.00 1.92 5.02 -0.47 -1.04 118.16 119.36 1hkc n LYS 295 Ca 0.19 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.53 1hkc n LYS 295 Cb 0.40 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.90 1hkc n LYS 295 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1hkc n MET 296 N -1.00 2.46 0.01 1.97 2.81 0.44 -4.84 117.12 118.96 1hkc n MET 296 Ca 0.11 -0.48 0.00 0.00 -1.81 0.00 0.00 57.70 55.52 1hkc n MET 296 Cb 0.05 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 1hkc n MET 296 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1hkc n VAL 297 N -0.44 0.14 -0.95 2.03 0.31 -0.36 -4.38 118.33 114.68 1hkc n VAL 297 Ca 0.04 0.04 -0.31 0.00 -0.01 0.00 0.00 64.34 64.10 1hkc n VAL 297 Cb 0.19 -1.20 0.14 0.00 -0.91 0.00 0.00 33.84 32.05 1hkc n VAL 297 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1hkc s SER 298 N -5.11 3.55 0.48 4.52 1.04 -0.21 -4.79 113.70 113.18 1hkc s SER 298 Ca 0.00 2.09 0.22 0.00 0.48 0.00 0.00 55.95 58.73 1hkc s SER 298 Cb 0.00 -2.55 1.21 0.00 0.10 0.00 0.00 66.02 64.78 1hkc s SER 298 CO 0.00 -2.68 2.01 1.23 0.98 0.00 0.00 173.24 174.78 1hkc h GLY 299 N -1.48 0.00 2.00 7.32 0.00 0.02 -2.48 103.07 108.44 1hkc h GLY 299 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1hkc h GLY 299 CO 0.45 0.00 0.00 1.98 0.00 0.00 0.00 176.54 178.97 1hkc h MET 300 N 0.00 0.00 0.00 4.80 1.85 -1.64 -3.25 114.93 116.69 1hkc h MET 300 Ca -0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.06 1hkc h MET 300 Cb 0.38 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.41 1hkc h MET 300 CO 0.02 0.00 -1.23 0.66 -0.40 0.00 0.00 176.91 175.97 1hkc n TYR 301 N -2.39 0.00 -0.09 1.39 4.01 -0.99 -4.75 117.16 114.34 1hkc n TYR 301 Ca 0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.68 1hkc n TYR 301 Cb 0.18 -0.13 -0.01 0.00 -0.31 0.00 0.00 39.34 39.07 1hkc n TYR 301 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1hkc h LEU 302 N 0.00 -0.84 -0.03 7.72 3.38 -1.49 -1.11 115.31 122.94 1hkc h LEU 302 Ca -0.04 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1hkc h LEU 302 Cb 0.55 0.41 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1hkc h LEU 302 CO 0.00 -0.28 -0.26 1.23 0.09 0.00 0.00 178.44 179.22 1hkc h GLY 303 N -0.22 -0.38 1.70 0.83 0.00 -1.77 -2.44 103.07 100.79 1hkc h GLY 303 Ca 0.17 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 1hkc h GLY 303 CO -0.46 -0.21 0.15 -2.09 0.00 0.00 0.00 176.54 173.93 1hkc h GLU 304 N -0.38 0.40 -0.27 4.80 4.57 -1.44 -1.78 114.58 120.47 1hkc h GLU 304 Ca 0.07 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 1hkc h GLU 304 Cb 0.48 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1hkc h GLU 304 CO -0.25 0.31 -0.15 1.25 -1.18 0.00 0.00 179.01 178.99 1hkc h LEU 305 N 0.40 0.46 -0.12 1.64 5.85 -0.76 -1.86 115.31 120.92 1hkc h LEU 305 Ca 0.10 -0.12 -0.21 0.00 0.84 0.00 0.00 57.88 58.49 1hkc h LEU 305 Cb 0.03 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 40.95 1hkc h LEU 305 CO -0.02 0.63 -0.76 0.58 -0.34 0.00 0.00 178.44 178.54 1hkc h VAL 306 N 0.43 1.29 -0.17 1.05 2.07 -0.93 -2.91 116.25 117.08 1hkc h VAL 306 Ca 0.08 -1.98 0.04 0.00 0.82 0.00 0.00 66.70 65.66 1hkc h VAL 306 Cb 0.52 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 1hkc h VAL 306 CO 0.03 0.62 -0.11 -0.09 0.02 0.00 0.00 177.57 178.04 1hkc h ARG 307 N 0.44 -0.10 -0.98 1.57 2.43 -0.99 -0.31 114.38 116.43 1hkc h ARG 307 Ca -0.06 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.22 1hkc h ARG 307 Cb 1.39 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.89 1hkc h ARG 307 CO 0.16 -0.07 0.62 -0.07 -1.51 0.00 0.00 179.97 179.10 1hkc h LEU 308 N -0.11 0.93 -0.95 3.80 3.38 -1.38 0.16 115.31 121.14 1hkc h LEU 308 Ca 0.10 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1hkc h LEU 308 Cb 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1hkc h LEU 308 CO -0.24 0.53 -0.33 0.40 0.09 0.00 0.00 178.44 178.88 1hkc h ILE 309 N 1.01 1.28 -0.13 1.22 2.04 -1.11 -2.36 117.51 119.47 1hkc h ILE 309 Ca 0.46 -1.38 -0.22 0.00 1.00 0.00 0.00 64.86 64.72 1hkc h ILE 309 Cb 0.40 1.52 0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1hkc h ILE 309 CO -0.22 0.42 -0.80 -0.07 0.00 0.00 0.00 178.15 177.48 1hkc h LEU 310 N 0.30 0.89 -0.52 1.44 3.38 0.78 -2.63 115.31 118.95 1hkc h LEU 310 Ca 0.04 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 1hkc h LEU 310 Cb 0.74 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1hkc h LEU 310 CO 0.06 1.40 0.28 0.58 0.09 0.00 0.00 178.44 180.84 1hkc h VAL 311 N 0.50 1.18 -0.86 1.22 2.07 -0.64 -0.54 116.25 119.18 1hkc h VAL 311 Ca -0.06 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1hkc h VAL 311 Cb 1.43 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1hkc h VAL 311 CO 0.16 0.20 0.51 0.50 0.02 0.00 0.00 177.57 178.96 1hkc h LYS 312 N 0.70 1.18 -0.30 1.57 1.63 -1.43 -1.39 116.57 118.52 1hkc h LYS 312 Ca 0.18 -0.12 -0.15 0.00 -0.85 0.00 0.00 60.65 59.72 1hkc h LYS 312 Cb 0.07 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 31.45 1hkc h LYS 312 CO -0.03 0.84 -0.38 0.52 -3.45 0.00 0.00 179.45 176.95 1hkc h MET 313 N 1.19 0.78 -0.01 1.90 2.86 -1.06 -2.49 114.93 118.11 1hkc h MET 313 Ca 0.31 -0.45 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1hkc h MET 313 Cb -0.02 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1hkc h MET 313 CO -0.06 1.08 0.01 0.00 1.06 0.00 0.00 176.91 179.00 1hkc h ALA 314 N 0.70 0.01 -0.90 6.32 0.00 -0.97 0.18 119.26 124.59 1hkc h ALA 314 Ca 0.04 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.17 1hkc h ALA 314 Cb 0.97 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1hkc h ALA 314 CO 0.09 -0.45 0.69 0.87 0.00 0.00 0.00 179.25 180.45 1hkc h LYS 315 N -0.05 0.00 -0.64 0.00 1.57 -1.21 1.01 116.57 117.25 1hkc h LYS 315 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hkc h LYS 315 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1hkc h LYS 315 CO -0.00 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 1hkc n GLU 316 N -4.13 4.14 -2.33 3.15 1.02 -0.46 -4.91 120.64 117.13 1hkc n GLU 316 Ca 0.19 -3.00 -0.15 0.00 -0.02 0.00 0.00 57.16 54.17 1hkc n GLU 316 Cb 1.00 -2.03 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 1hkc n GLU 316 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hkc n GLY 317 N 1.00 -0.31 0.09 0.62 0.00 0.35 -4.82 105.19 102.13 1hkc n GLY 317 Ca 0.27 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.40 1hkc n GLY 317 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hkc n LEU 318 N -2.79 0.77 -4.02 0.99 4.77 0.50 -4.37 117.00 112.85 1hkc n LEU 318 Ca -0.18 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 1hkc n LEU 318 Cb 0.62 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1hkc n LEU 318 CO 0.21 -0.12 -0.32 -0.76 -1.33 0.00 0.00 177.39 175.06 1hkc s LEU 319 N -4.88 2.27 -0.85 2.23 1.43 -1.21 -4.85 118.68 112.82 1hkc s LEU 319 Ca 0.02 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1hkc s LEU 319 Cb 0.11 0.27 0.00 0.00 0.03 0.00 0.00 46.19 46.61 1hkc s LEU 319 CO 0.77 -0.51 0.00 0.49 0.23 0.00 0.00 176.35 177.33 1hkc n PHE 320 N 0.60 -0.40 -3.43 0.29 3.72 -1.26 -0.58 117.46 116.40 1hkc n PHE 320 Ca -0.17 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 56.99 1hkc n PHE 320 Cb 0.59 -2.01 0.07 0.00 -0.94 0.00 0.00 39.48 37.19 1hkc n PHE 320 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1hkc n GLU 321 N -1.20 -7.06 -0.60 -1.08 1.02 -1.26 -2.11 120.64 108.34 1hkc n GLU 321 Ca -0.08 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 1hkc n GLU 321 Cb 0.32 -5.85 0.00 0.00 -0.02 0.00 0.00 31.44 25.88 1hkc n GLU 321 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hkc n GLY 322 N -1.87 0.97 3.68 0.62 0.00 0.25 -4.91 105.19 103.94 1hkc n GLY 322 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1hkc n GLY 322 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hkc s ARG 323 N -0.27 4.23 -0.08 1.61 6.06 -0.90 -4.66 118.95 124.95 1hkc s ARG 323 Ca 0.00 2.10 0.04 0.00 -2.50 0.00 0.00 55.73 55.38 1hkc s ARG 323 Cb 0.00 -3.67 -0.01 0.00 0.06 0.00 0.00 34.95 31.33 1hkc s ARG 323 CO 0.00 -0.68 -0.23 0.42 -2.50 0.00 0.00 175.30 172.31 1hkc s ILE 324 N 2.86 2.24 0.21 4.11 1.01 -1.26 -4.87 121.20 125.49 1hkc s ILE 324 Ca 0.68 -0.98 0.11 0.00 0.00 0.00 0.00 60.65 60.46 1hkc s ILE 324 Cb -0.34 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1hkc s ILE 324 CO 0.28 0.56 -0.17 0.42 0.00 0.00 0.00 174.94 176.03 1hkc s THR 325 N 0.05 2.73 0.56 2.92 -4.23 -1.26 -5.02 115.64 111.38 1hkc s THR 325 Ca -0.09 -1.96 0.27 0.00 -1.18 0.00 0.00 61.69 58.72 1hkc s THR 325 Cb -0.15 -2.35 0.38 0.00 1.34 0.00 0.00 72.50 71.71 1hkc s THR 325 CO 0.06 -0.18 2.02 -0.65 -0.54 0.00 0.00 174.62 175.33 1hkc h PRO 326 N 2.86 0.00 0.00 3.99 0.11 -1.99 -2.37 132.00 134.60 1hkc h PRO 326 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 1hkc h PRO 326 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1hkc h PRO 326 CO 0.53 0.00 -0.41 0.93 -0.21 0.00 0.00 178.00 178.83 1hkc h GLU 327 N 0.00 0.28 -0.13 1.05 3.07 -1.95 -2.97 114.58 113.93 1hkc h GLU 327 Ca 0.18 -0.30 0.04 0.00 -0.50 0.00 0.00 59.36 58.77 1hkc h GLU 327 Cb 0.81 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1hkc h GLU 327 CO -0.00 1.01 0.12 1.25 -1.40 0.00 0.00 179.01 179.99 1hkc h LEU 328 N -0.33 0.00 -0.22 1.33 5.85 -1.59 -1.44 115.31 118.91 1hkc h LEU 328 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1hkc h LEU 328 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1hkc h LEU 328 CO 0.08 0.00 -0.56 0.18 -0.34 0.00 0.00 178.44 177.80 1hkc n LEU 329 N -3.98 0.91 -4.68 2.25 4.77 -1.13 -4.82 117.00 110.32 1hkc n LEU 329 Ca 0.00 -0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.30 1hkc n LEU 329 Cb 0.24 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1hkc n LEU 329 CO 0.29 0.20 0.67 -0.89 -1.33 0.00 0.00 177.39 176.33 1hkc s THR 330 N -2.83 4.85 0.24 -5.08 2.01 -0.54 -4.99 115.64 109.29 1hkc s THR 330 Ca 0.14 1.76 -0.31 0.00 0.31 0.00 0.00 61.69 63.58 1hkc s THR 330 Cb 0.18 -4.19 -0.12 0.00 0.01 0.00 0.00 72.50 68.37 1hkc s THR 330 CO 0.69 0.01 1.58 -1.14 -0.69 0.00 0.00 174.62 175.07 1hkc n ARG 331 N 5.20 2.48 -0.55 4.92 0.63 -1.26 -2.78 116.66 125.30 1hkc n ARG 331 Ca 0.06 0.89 0.00 0.00 -0.92 0.00 0.00 57.85 57.87 1hkc n ARG 331 Cb 0.49 -2.65 0.00 0.00 0.45 0.00 0.00 32.46 30.74 1hkc n ARG 331 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1hkc n GLY 332 N 2.79 0.75 0.21 5.14 0.00 -1.26 -4.95 105.19 107.88 1hkc n GLY 332 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1hkc n GLY 332 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hkc h LYS 333 N 3.25 0.00 -4.52 1.61 1.79 -1.83 -3.40 116.57 113.48 1hkc h LYS 333 Ca 0.00 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.78 1hkc h LYS 333 Cb 0.00 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 30.30 1hkc h LYS 333 CO 0.00 0.07 -0.58 0.12 -1.08 0.00 0.00 179.45 177.98 1hkc s PHE 334 N -3.20 3.62 0.53 -1.35 2.19 -1.26 -5.08 117.98 113.43 1hkc s PHE 334 Ca 0.06 -2.51 -0.11 0.00 0.33 0.00 0.00 56.93 54.70 1hkc s PHE 334 Cb 0.06 -3.17 -0.05 0.00 -1.31 0.00 0.00 43.02 38.55 1hkc s PHE 334 CO 0.67 -0.97 0.92 -0.80 1.83 0.00 0.00 175.22 176.88 1hkc s ASN 335 N 1.66 6.38 0.64 6.13 0.01 -1.26 -3.13 114.94 125.37 1hkc s ASN 335 Ca 0.09 1.29 0.42 0.00 -0.71 0.00 0.00 52.86 53.95 1hkc s ASN 335 Cb -0.22 -2.40 2.19 0.00 0.41 0.00 0.00 41.25 41.23 1hkc s ASN 335 CO -0.05 -0.66 2.29 0.74 -1.51 0.00 0.00 177.10 177.91 1hkc h THR 336 N 0.33 0.02 0.00 1.60 2.02 -1.87 0.67 112.91 115.67 1hkc h THR 336 Ca -0.46 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1hkc h THR 336 Cb 1.19 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1hkc h THR 336 CO 0.62 0.00 0.00 0.77 0.37 0.00 0.00 175.52 177.28 1hkc h SER 337 N 0.00 0.00 0.95 4.18 4.64 -1.92 -2.52 113.55 118.88 1hkc h SER 337 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1hkc h SER 337 Cb 0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 1hkc h SER 337 CO 0.00 0.00 -1.08 0.44 -0.87 0.00 0.00 176.83 175.32 1hkc h ASP 338 N 0.00 0.00 -0.81 4.97 3.32 -1.23 -2.31 116.42 120.36 1hkc h ASP 338 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1hkc h ASP 338 Cb 0.73 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 1hkc h ASP 338 CO 0.00 0.96 0.33 0.58 -1.72 0.00 0.00 179.24 179.40 1hkc h VAL 339 N 0.00 1.26 -0.02 -1.35 2.07 -1.32 -0.75 116.25 116.14 1hkc h VAL 339 Ca -0.05 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1hkc h VAL 339 Cb 1.78 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1hkc h VAL 339 CO 0.12 0.34 -0.07 0.28 0.02 0.00 0.00 177.57 178.26 1hkc h SER 340 N 1.17 0.10 -0.89 0.57 0.02 -1.49 -2.58 113.55 110.44 1hkc h SER 340 Ca 0.27 -0.61 0.12 0.00 -0.84 0.00 0.00 61.79 60.74 1hkc h SER 340 Cb 0.20 -0.03 -0.09 0.00 0.14 0.00 0.00 62.40 62.63 1hkc h SER 340 CO -0.02 0.69 0.51 0.00 -1.14 0.00 0.00 176.83 176.87 1hkc h ALA 341 N 0.41 1.33 -0.03 3.77 0.00 -1.31 -1.34 119.26 122.09 1hkc h ALA 341 Ca -0.00 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1hkc h ALA 341 Cb 0.68 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1hkc h ALA 341 CO 0.01 0.06 -0.46 0.82 0.00 0.00 0.00 179.25 179.69 1hkc h ILE 342 N 0.79 1.33 -0.37 0.00 2.04 -1.13 -3.08 117.51 117.09 1hkc h ILE 342 Ca 0.46 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1hkc h ILE 342 Cb 0.53 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1hkc h ILE 342 CO -0.30 0.46 0.00 -0.62 0.00 0.00 0.00 178.15 177.69 1hkc n GLU 343 N -3.99 2.03 -2.14 2.37 1.02 -0.52 -4.24 120.64 115.16 1hkc n GLU 343 Ca -0.02 -1.39 -0.38 0.00 -0.02 0.00 0.00 57.16 55.35 1hkc n GLU 343 Cb 0.49 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1hkc n GLU 343 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1hkc s LYS 344 N -1.55 3.66 0.08 3.49 1.02 -1.10 -4.75 119.74 120.59 1hkc s LYS 344 Ca 0.26 1.91 -0.18 0.00 0.02 0.00 0.00 55.97 57.98 1hkc s LYS 344 Cb 0.14 -2.42 -0.09 0.00 -0.52 0.00 0.00 37.83 34.95 1hkc s LYS 344 CO 0.16 -0.67 1.47 -0.91 -0.92 0.00 0.00 175.35 174.47 1hkc h ASN 345 N 2.00 0.53 0.00 2.83 4.21 -1.92 -2.62 115.58 120.61 1hkc h ASN 345 Ca -0.50 -0.38 0.00 0.00 1.21 0.00 0.00 56.30 56.63 1hkc h ASN 345 Cb 1.26 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 1hkc h ASN 345 CO 0.60 0.79 0.00 2.29 -1.29 0.00 0.00 177.43 179.82 1hkc n LYS 346 N -4.51 0.00 -0.77 0.81 2.85 -1.26 -4.35 118.16 110.93 1hkc n LYS 346 Ca -0.04 0.08 -0.13 0.00 -1.05 0.00 0.00 58.31 57.17 1hkc n LYS 346 Cb 0.32 -0.86 0.13 0.00 -0.65 0.00 0.00 35.03 33.97 1hkc n LYS 346 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1hkc n GLU 347 N -0.75 1.97 0.28 -1.58 0.28 -1.26 -4.68 120.64 114.91 1hkc n GLU 347 Ca 0.00 -1.94 -0.17 0.00 -0.16 0.00 0.00 57.16 54.89 1hkc n GLU 347 Cb 0.00 -1.78 -0.08 0.00 1.43 0.00 0.00 31.44 31.00 1hkc n GLU 347 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1hkc h GLY 348 N 2.30 -0.95 2.00 -1.84 0.00 -1.65 -0.90 103.07 102.02 1hkc h GLY 348 Ca 0.37 0.43 -0.03 0.00 0.00 0.00 0.00 47.33 48.10 1hkc h GLY 348 CO 0.67 -0.33 -0.16 1.41 0.00 0.00 0.00 176.54 178.13 1hkc h LEU 349 N -0.85 0.00 0.02 3.11 3.38 -1.83 -1.26 115.31 117.87 1hkc h LEU 349 Ca -0.05 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.65 1hkc h LEU 349 Cb 0.73 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1hkc h LEU 349 CO -0.00 0.16 -1.15 -0.74 0.09 0.00 0.00 178.44 176.80 1hkc h HIS 350 N 0.00 0.75 -0.65 1.13 2.76 -1.87 -2.52 115.15 114.76 1hkc h HIS 350 Ca -0.00 -0.47 -0.07 0.00 -2.20 0.00 0.00 60.37 57.63 1hkc h HIS 350 Cb 0.59 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 1hkc h HIS 350 CO 0.00 1.32 0.11 -0.91 -1.30 0.00 0.00 177.93 177.15 1hkc h ASN 351 N 0.21 1.00 0.67 3.26 2.35 -0.81 -2.02 115.58 120.24 1hkc h ASN 351 Ca -0.14 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.36 1hkc h ASN 351 Cb 1.82 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.92 1hkc h ASN 351 CO 0.21 0.99 -0.43 0.00 -1.65 0.00 0.00 177.43 176.55 1hkc h ALA 352 N 1.13 -1.08 -0.81 -0.83 0.00 -1.20 0.48 119.26 116.95 1hkc h ALA 352 Ca 0.20 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.06 1hkc h ALA 352 Cb 0.41 0.54 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 1hkc h ALA 352 CO 0.01 -1.13 0.35 -0.22 0.00 0.00 0.00 179.25 178.27 1hkc h LYS 353 N -1.04 0.47 0.26 0.00 3.64 -1.30 0.12 116.57 118.71 1hkc h LYS 353 Ca -0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1hkc h LYS 353 Cb 0.85 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1hkc h LYS 353 CO 0.07 0.31 -0.12 0.93 -2.27 0.00 0.00 179.45 178.37 1hkc h GLU 354 N 0.48 -0.33 0.56 1.90 5.08 -1.11 -1.11 114.58 120.05 1hkc h GLU 354 Ca 0.46 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.82 1hkc h GLU 354 Cb 0.72 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1hkc h GLU 354 CO -0.42 -0.09 -0.48 0.82 -1.00 0.00 0.00 179.01 177.84 1hkc h ILE 355 N -0.54 0.06 -0.61 3.13 2.04 -0.09 -0.72 117.51 120.78 1hkc h ILE 355 Ca -0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.92 1hkc h ILE 355 Cb 0.40 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.46 1hkc h ILE 355 CO 0.06 0.00 0.23 -0.07 0.00 0.00 0.00 178.15 178.37 1hkc h LEU 356 N -1.02 0.22 -0.99 1.44 3.38 -0.87 -0.40 115.31 117.08 1hkc h LEU 356 Ca -0.07 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1hkc h LEU 356 Cb 0.87 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 1hkc h LEU 356 CO -0.02 0.13 0.64 0.74 0.09 0.00 0.00 178.44 180.02 1hkc h THR 357 N 0.41 1.07 0.00 0.22 2.02 -0.95 0.22 112.91 115.89 1hkc h THR 357 Ca 0.31 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1hkc h THR 357 Cb 0.38 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1hkc h THR 357 CO -0.31 0.21 0.00 0.03 0.37 0.00 0.00 175.52 175.82 1hkc h ARG 358 N 1.14 0.00 -0.17 6.66 3.08 0.48 -0.77 114.38 124.80 1hkc h ARG 358 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 1hkc h ARG 358 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1hkc h ARG 358 CO -0.18 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.00 1hkc n LEU 359 N -2.56 1.20 0.00 3.04 4.77 0.76 -4.89 117.00 119.32 1hkc n LEU 359 Ca -0.00 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1hkc n LEU 359 Cb 0.15 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1hkc n LEU 359 CO 0.18 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1hkc n GLY 360 N 0.96 2.62 3.80 -0.72 0.00 -0.29 -4.17 105.19 107.39 1hkc n GLY 360 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1hkc n GLY 360 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hkc s VAL 361 N -2.13 3.15 -0.48 1.61 1.01 -1.20 -5.00 120.40 117.35 1hkc s VAL 361 Ca 0.00 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1hkc s VAL 361 Cb 0.00 -3.11 0.13 0.00 0.00 0.00 0.00 36.38 33.40 1hkc s VAL 361 CO 0.00 -0.49 0.23 -0.70 0.00 0.00 0.00 175.10 174.14 1hkc s GLU 362 N -5.14 1.76 0.32 2.72 2.56 -1.26 -4.17 118.70 115.49 1hkc s GLU 362 Ca 0.61 -2.39 -0.28 0.00 0.00 0.00 0.00 54.97 52.91 1hkc s GLU 362 Cb -0.14 -3.06 -0.09 0.00 2.00 0.00 0.00 34.13 32.83 1hkc s GLU 362 CO 0.54 -1.10 1.09 -1.25 -0.56 0.00 0.00 175.26 173.98 1hkc s PRO 363 N -0.01 4.48 0.30 4.30 0.04 -1.26 -4.93 135.00 137.92 1hkc s PRO 363 Ca 0.16 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.95 1hkc s PRO 363 Cb -0.25 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1hkc s PRO 363 CO -0.01 0.09 0.47 -1.54 0.04 0.00 0.00 177.00 176.05 1hkc s SER 364 N -1.09 6.28 0.40 6.66 1.04 -1.26 -4.94 113.70 120.78 1hkc s SER 364 Ca 0.49 0.25 0.12 0.00 0.48 0.00 0.00 55.95 57.28 1hkc s SER 364 Cb -0.29 -1.90 0.93 0.00 0.10 0.00 0.00 66.02 64.86 1hkc s SER 364 CO 0.37 -0.21 1.92 0.44 0.98 0.00 0.00 173.24 176.73 1hkc h ASP 365 N 0.93 0.51 -0.49 7.02 3.32 -2.00 0.26 116.42 125.98 1hkc h ASP 365 Ca -0.50 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 1hkc h ASP 365 Cb 1.23 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1hkc h ASP 365 CO 0.61 0.28 0.07 0.44 -1.72 0.00 0.00 179.24 178.91 1hkc h ASP 366 N 0.55 0.78 -0.49 6.45 5.19 -2.00 -2.69 116.42 124.21 1hkc h ASP 366 Ca 0.37 -0.27 0.06 0.00 -0.62 0.00 0.00 57.03 56.57 1hkc h ASP 366 Cb 0.69 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 39.94 1hkc h ASP 366 CO -0.14 0.85 0.21 0.44 -3.12 0.00 0.00 179.24 177.48 1hkc h ASP 367 N 0.68 0.25 -0.59 6.45 3.32 -0.88 -1.88 116.42 123.77 1hkc h ASP 367 Ca 0.15 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.26 1hkc h ASP 367 Cb 0.41 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1hkc h ASP 367 CO 0.01 0.18 0.37 0.00 -1.72 0.00 0.00 179.24 178.08 1hkc h VAL 369 N 0.73 1.17 0.05 0.00 2.07 -1.15 -0.75 116.25 118.37 1hkc h VAL 369 Ca 0.24 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1hkc h VAL 369 Cb 0.00 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1hkc h VAL 369 CO -0.09 0.18 -0.02 0.28 0.02 0.00 0.00 177.57 177.94 1hkc h SER 370 N 0.56 -0.06 -0.11 0.57 0.02 -0.91 -1.48 113.55 112.15 1hkc h SER 370 Ca 0.15 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1hkc h SER 370 Cb 0.09 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1hkc h SER 370 CO -0.02 0.09 0.05 0.58 -1.14 0.00 0.00 176.83 176.39 1hkc h VAL 371 N -0.20 1.07 -0.02 2.27 2.07 -0.74 -1.13 116.25 119.58 1hkc h VAL 371 Ca -0.01 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 1hkc h VAL 371 Cb 0.18 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1hkc h VAL 371 CO 0.01 0.08 -0.62 -0.61 0.02 0.00 0.00 177.57 176.45 1hkc h GLN 372 N 0.20 0.06 0.00 1.57 4.15 -0.76 -2.68 115.11 117.66 1hkc h GLN 372 Ca 0.05 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 1hkc h GLN 372 Cb 0.06 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1hkc h GLN 372 CO -0.00 0.66 -0.33 1.25 -1.93 0.00 0.00 178.83 178.48 1hkc h HIS 373 N 0.05 0.00 -0.15 3.99 2.76 -0.18 -2.06 115.15 119.55 1hkc h HIS 373 Ca -0.01 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 1hkc h HIS 373 Cb 1.10 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.06 1hkc h HIS 373 CO 0.01 0.33 -0.18 0.28 -1.30 0.00 0.00 177.93 177.07 1hkc h VAL 374 N 0.00 1.35 -0.05 5.26 2.07 -1.10 -1.70 116.25 122.09 1hkc h VAL 374 Ca -0.00 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.19 1hkc h VAL 374 Cb 1.17 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.80 1hkc h VAL 374 CO 0.04 0.40 -0.19 0.00 0.02 0.00 0.00 177.57 177.84 1hkc h THR 376 N -0.28 0.61 -0.48 0.00 2.02 -1.34 0.88 112.91 114.32 1hkc h THR 376 Ca 0.07 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 1hkc h THR 376 Cb 0.38 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1hkc h THR 376 CO -0.21 0.03 -0.03 0.40 0.37 0.00 0.00 175.52 176.08 1hkc h ILE 377 N 0.17 1.25 -0.04 3.11 2.04 -0.79 -0.13 117.51 123.13 1hkc h ILE 377 Ca 0.29 -1.06 -0.15 0.00 1.00 0.00 0.00 64.86 64.94 1hkc h ILE 377 Cb 0.43 0.91 0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1hkc h ILE 377 CO -0.42 0.37 -0.55 0.58 0.00 0.00 0.00 178.15 178.13 1hkc h VAL 378 N 0.75 1.41 0.00 1.67 2.07 -0.37 -2.94 116.25 118.84 1hkc h VAL 378 Ca 0.14 -1.98 -0.13 0.00 0.82 0.00 0.00 66.70 65.55 1hkc h VAL 378 Cb 0.50 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 1hkc h VAL 378 CO 0.03 0.58 -0.63 0.77 0.02 0.00 0.00 177.57 178.34 1hkc h SER 379 N -0.05 0.00 0.10 0.57 4.64 -0.87 -2.94 113.55 115.00 1hkc h SER 379 Ca -0.06 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 1hkc h SER 379 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1hkc h SER 379 CO 0.11 0.63 -0.34 0.15 -0.87 0.00 0.00 176.83 176.51 1hkc h PHE 380 N 0.00 0.40 -0.28 4.77 3.04 -1.07 -2.32 116.94 121.48 1hkc h PHE 380 Ca -0.01 -0.10 -0.03 0.00 3.98 0.00 0.00 57.97 61.82 1hkc h PHE 380 Cb 1.25 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.65 1hkc h PHE 380 CO 0.00 0.65 0.06 -0.09 -2.02 0.00 0.00 178.31 176.91 1hkc h ARG 381 N 0.30 0.46 -0.25 1.11 2.43 -1.37 -0.53 114.38 116.54 1hkc h ARG 381 Ca 0.04 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1hkc h ARG 381 Cb 0.75 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.17 1hkc h ARG 381 CO 0.06 0.56 -0.23 1.03 -1.51 0.00 0.00 179.97 179.88 1hkc h SER 382 N 0.29 -0.73 -0.05 -3.80 0.87 -1.34 0.13 113.55 108.92 1hkc h SER 382 Ca 0.09 0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1hkc h SER 382 Cb 0.32 0.35 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1hkc h SER 382 CO 0.00 -0.26 -0.07 0.00 -0.53 0.00 0.00 176.83 175.97 1hkc h ALA 383 N 0.84 -0.03 -0.75 6.23 0.00 -1.19 -2.25 119.26 122.11 1hkc h ALA 383 Ca 0.14 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1hkc h ALA 383 Cb 0.44 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1hkc h ALA 383 CO -0.38 -0.55 0.30 -0.91 0.00 0.00 0.00 179.25 177.72 1hkc h ASN 384 N -0.10 1.01 -0.61 0.00 2.35 -0.62 -1.81 115.58 115.80 1hkc h ASN 384 Ca 0.05 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.57 1hkc h ASN 384 Cb 0.16 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1hkc h ASN 384 CO -0.11 0.89 0.07 -0.07 -1.65 0.00 0.00 177.43 176.56 1hkc h LEU 385 N 1.08 1.01 -0.76 1.61 3.38 -0.56 -2.14 115.31 118.93 1hkc h LEU 385 Ca 0.25 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1hkc h LEU 385 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1hkc h LEU 385 CO -0.02 1.03 -0.28 0.58 0.09 0.00 0.00 178.44 179.84 1hkc h VAL 386 N 0.95 0.60 -0.17 1.22 2.07 -1.21 -2.45 116.25 117.25 1hkc h VAL 386 Ca 0.18 -1.39 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 1hkc h VAL 386 Cb 0.48 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1hkc h VAL 386 CO 0.02 0.28 -0.16 0.00 0.02 0.00 0.00 177.57 177.72 1hkc h ALA 387 N 1.72 0.25 0.26 1.67 0.00 -1.07 -1.42 119.26 120.67 1hkc h ALA 387 Ca -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1hkc h ALA 387 Cb 0.92 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1hkc h ALA 387 CO 0.04 0.14 -0.35 0.00 0.00 0.00 0.00 179.25 179.08 1hkc h ALA 388 N 0.63 -0.69 -0.38 0.00 0.00 -1.14 0.17 119.26 117.85 1hkc h ALA 388 Ca 0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1hkc h ALA 388 Cb 0.70 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1hkc h ALA 388 CO 0.04 -0.93 -0.11 1.79 0.00 0.00 0.00 179.25 180.04 1hkc h THR 389 N -0.66 1.25 -0.62 0.00 1.35 -1.50 -2.60 112.91 110.12 1hkc h THR 389 Ca -0.00 -1.10 -0.10 0.00 -0.55 0.00 0.00 66.41 64.66 1hkc h THR 389 Cb 0.63 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 1hkc h THR 389 CO -0.12 0.37 0.01 0.25 -0.25 0.00 0.00 175.52 175.79 1hkc h LEU 390 N 0.60 1.07 -2.05 3.87 5.85 -1.03 -2.04 115.31 121.58 1hkc h LEU 390 Ca 0.11 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1hkc h LEU 390 Cb 0.54 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1hkc h LEU 390 CO 0.03 1.11 0.11 1.23 -0.34 0.00 0.00 178.44 180.58 1hkc h GLY 391 N 1.00 0.00 1.47 3.75 0.00 -0.32 0.30 103.07 109.26 1hkc h GLY 391 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 1hkc h GLY 391 CO 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 176.54 176.15 1hkc h ALA 392 N 1.92 0.83 0.00 3.60 0.00 -1.01 -0.88 119.26 123.71 1hkc h ALA 392 Ca 0.07 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 1hkc h ALA 392 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1hkc h ALA 392 CO -0.00 0.65 -0.62 0.82 0.00 0.00 0.00 179.25 180.09 1hkc h ILE 393 N 0.48 1.43 0.05 0.00 2.04 -0.80 -1.96 117.51 118.74 1hkc h ILE 393 Ca 0.04 -2.15 -0.00 0.00 1.00 0.00 0.00 64.86 63.74 1hkc h ILE 393 Cb 0.92 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1hkc h ILE 393 CO 0.08 0.61 -0.02 -0.07 0.00 0.00 0.00 178.15 178.75 1hkc h LEU 394 N 0.00 -0.05 -1.00 1.44 3.38 -0.84 -1.82 115.31 116.41 1hkc h LEU 394 Ca -0.01 -0.56 0.15 0.00 0.09 0.00 0.00 57.88 57.56 1hkc h LEU 394 Cb 1.12 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.79 1hkc h LEU 394 CO 0.08 0.56 0.62 0.78 0.09 0.00 0.00 178.44 180.57 1hkc h ASN 395 N -0.70 0.87 -0.49 -0.43 2.35 -1.17 0.18 115.58 116.19 1hkc h ASN 395 Ca -0.01 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1hkc h ASN 395 Cb 0.61 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1hkc h ASN 395 CO 0.01 0.40 0.28 -0.09 -1.65 0.00 0.00 177.43 176.38 1hkc h ARG 396 N 0.90 0.68 -0.48 0.81 9.65 -1.29 -0.76 114.38 123.90 1hkc h ARG 396 Ca 0.53 -0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 59.26 1hkc h ARG 396 Cb 0.65 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.08 1hkc h ARG 396 CO -0.31 0.52 -0.02 -0.07 2.80 0.00 0.00 179.97 182.89 1hkc h LEU 397 N 0.65 0.79 -1.05 3.80 3.38 -0.06 -1.36 115.31 121.45 1hkc h LEU 397 Ca 0.17 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1hkc h LEU 397 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1hkc h LEU 397 CO -0.03 0.86 0.02 -0.09 0.09 0.00 0.00 178.44 179.30 1hkc h ARG 398 N 0.75 0.70 -0.14 1.13 2.43 -0.19 -2.27 114.38 116.81 1hkc h ARG 398 Ca 0.14 -0.17 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 1hkc h ARG 398 Cb 0.49 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1hkc h ARG 398 CO 0.02 0.70 -0.72 -0.44 -1.51 0.00 0.00 179.97 178.02 1hkc h ASP 399 N 0.67 0.87 -0.82 -3.80 3.32 -0.80 -2.27 116.42 113.59 1hkc h ASP 399 Ca 0.14 -0.64 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 1hkc h ASP 399 Cb 0.38 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1hkc h ASP 399 CO 0.01 1.37 0.44 0.78 -1.72 0.00 0.00 179.24 180.12 1hkc h ASN 400 N 0.43 1.03 0.11 6.45 2.35 -1.06 -2.10 115.58 122.79 1hkc h ASN 400 Ca -0.05 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1hkc h ASN 400 Cb 1.36 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1hkc h ASN 400 CO 0.15 0.83 -0.07 0.29 -1.65 0.00 0.00 177.43 176.98 1hkc n LYS 401 N -4.34 1.23 -0.70 0.81 5.02 -0.87 -4.92 118.16 114.38 1hkc n LYS 401 Ca 0.09 -0.61 0.00 0.00 -2.02 0.00 0.00 58.31 55.76 1hkc n LYS 401 Cb 0.10 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1hkc n LYS 401 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hkc n GLY 402 N 1.21 0.00 3.75 0.72 0.00 -0.79 -4.94 105.19 105.13 1hkc n GLY 402 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1hkc n GLY 402 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hkc s THR 403 N -0.96 3.97 0.25 2.61 2.01 -1.16 -4.97 115.64 117.39 1hkc s THR 403 Ca 0.00 1.98 -0.04 0.00 0.31 0.00 0.00 61.69 63.93 1hkc s THR 403 Cb 0.00 -4.26 0.15 0.00 0.01 0.00 0.00 72.50 68.40 1hkc s THR 403 CO 0.00 0.47 1.79 1.55 -0.69 0.00 0.00 174.62 177.74 1hkc h PRO 404 N 4.15 1.00 -5.78 4.92 0.13 -1.92 -3.43 132.00 131.06 1hkc h PRO 404 Ca -0.45 -0.20 -0.63 0.00 -0.87 0.00 0.00 66.00 63.84 1hkc h PRO 404 Cb 1.20 -0.15 -0.31 0.00 0.13 0.00 0.00 31.00 31.87 1hkc h PRO 404 CO 0.68 0.86 -0.86 0.50 -0.23 0.00 0.00 178.00 178.94 1hkc s ARG 405 N -5.34 2.15 -0.07 0.86 3.52 -1.26 -4.92 118.95 113.89 1hkc s ARG 405 Ca -0.11 -0.78 -0.12 0.00 -0.13 0.00 0.00 55.73 54.59 1hkc s ARG 405 Cb 0.15 -1.87 -0.05 0.00 -1.56 0.00 0.00 34.95 31.62 1hkc s ARG 405 CO 0.82 0.35 0.28 -1.17 -0.81 0.00 0.00 175.30 174.77 1hkc s LEU 406 N -0.15 4.40 -0.18 -0.88 2.96 -0.31 -4.93 118.68 119.59 1hkc s LEU 406 Ca -0.02 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 54.58 1hkc s LEU 406 Cb -0.12 -2.35 0.05 0.00 0.50 0.00 0.00 46.19 44.27 1hkc s LEU 406 CO 0.02 0.32 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.74 1hkc s ARG 407 N -0.80 1.25 0.20 1.98 3.00 -1.26 0.41 118.95 123.72 1hkc s ARG 407 Ca 0.19 -0.55 -0.14 0.00 -1.00 0.00 0.00 55.73 54.23 1hkc s ARG 407 Cb -0.14 -2.09 0.01 0.00 0.00 0.00 0.00 34.95 32.73 1hkc s ARG 407 CO 0.08 -0.51 0.43 -0.08 0.00 0.00 0.00 175.30 175.23 1hkc s THR 408 N 1.66 0.03 -0.10 4.11 -1.32 -1.10 -5.02 115.64 113.91 1hkc s THR 408 Ca -0.01 -1.14 0.04 0.00 -1.21 0.00 0.00 61.69 59.37 1hkc s THR 408 Cb -0.16 -1.82 0.00 0.00 -1.51 0.00 0.00 72.50 69.01 1hkc s THR 408 CO -0.07 -0.15 -0.23 -0.89 -2.21 0.00 0.00 174.62 171.06 1hkc s THR 409 N -3.94 2.00 -0.19 5.08 2.01 -1.12 -0.01 115.64 119.47 1hkc s THR 409 Ca 0.15 -0.98 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 1hkc s THR 409 Cb 0.00 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1hkc s THR 409 CO 0.01 0.55 0.03 -0.69 -0.69 0.00 0.00 174.62 173.82 1hkc s VAL 410 N 0.38 4.34 -0.31 3.82 1.01 0.42 -3.04 120.40 127.02 1hkc s VAL 410 Ca -0.18 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 1hkc s VAL 410 Cb -0.18 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 1hkc s VAL 410 CO 0.08 0.45 0.66 -0.83 0.00 0.00 0.00 175.10 175.46 1hkc s GLY 411 N 0.64 1.76 0.17 4.51 0.00 0.90 -1.17 107.32 114.13 1hkc s GLY 411 Ca 0.01 -0.62 0.07 0.00 0.00 0.00 0.00 44.72 44.18 1hkc s GLY 411 CO 0.02 1.51 -0.02 0.14 0.00 0.00 0.00 173.10 174.75 1hkc s VAL 412 N 2.68 3.64 -0.02 1.40 1.01 -0.25 0.84 120.40 129.69 1hkc s VAL 412 Ca 0.26 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 1hkc s VAL 412 Cb -0.15 -2.82 0.11 0.00 0.00 0.00 0.00 36.38 33.52 1hkc s VAL 412 CO 0.12 -0.10 1.06 -0.62 0.00 0.00 0.00 175.10 175.56 1hkc s ASP 413 N -2.88 -0.21 0.00 3.32 2.15 -0.77 -3.24 116.67 115.03 1hkc s ASP 413 Ca 0.27 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.13 1hkc s ASP 413 Cb -0.09 0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.83 1hkc s ASP 413 CO 0.18 -0.53 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 1hkc n GLY 414 N -0.30 4.39 0.28 2.66 0.00 -1.26 -0.53 105.19 110.43 1hkc n GLY 414 Ca -0.06 -0.97 -0.00 0.00 0.00 0.00 0.00 46.02 44.99 1hkc n GLY 414 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1hkc h SER 415 N 0.00 0.63 0.71 1.61 4.64 -1.89 -1.09 113.55 118.16 1hkc h SER 415 Ca 0.00 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1hkc h SER 415 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1hkc h SER 415 CO 0.00 0.39 -0.36 0.25 -0.87 0.00 0.00 176.83 176.24 1hkc h LEU 416 N 0.76 -0.87 -0.71 5.97 5.85 -1.80 0.06 115.31 124.57 1hkc h LEU 416 Ca 0.33 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.15 1hkc h LEU 416 Cb 0.22 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1hkc h LEU 416 CO -0.20 -0.60 0.40 0.22 -0.34 0.00 0.00 178.44 177.93 1hkc h TYR 417 N -0.98 0.74 0.00 1.25 5.03 -1.36 0.02 116.97 121.67 1hkc h TYR 417 Ca -0.09 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.20 1hkc h TYR 417 Cb 0.76 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.81 1hkc h TYR 417 CO -0.04 0.36 -0.17 0.87 -1.32 0.00 0.00 178.16 177.86 1hkc h LYS 418 N 0.74 0.00 0.00 1.82 1.57 -1.11 -3.37 116.57 116.22 1hkc h LYS 418 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1hkc h LYS 418 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1hkc h LYS 418 CO -0.18 0.17 -1.41 0.25 -0.57 0.00 0.00 179.45 177.71 1hkc n THR 419 N -3.20 0.00 -2.42 -0.16 -2.24 -0.00 -4.97 114.28 101.29 1hkc n THR 419 Ca 0.02 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1hkc n THR 419 Cb 0.50 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 1hkc n THR 419 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1hkc s HIS 420 N -2.63 3.38 0.45 4.78 5.04 -0.03 -4.92 115.29 121.34 1hkc s HIS 420 Ca -0.03 1.27 0.14 0.00 -1.54 0.00 0.00 55.06 54.89 1hkc s HIS 420 Cb 0.06 -3.43 1.00 0.00 0.04 0.00 0.00 32.58 30.24 1hkc s HIS 420 CO 0.39 -1.34 2.00 -1.00 -2.34 0.00 0.00 174.74 172.44 1hkc h PRO 421 N 6.93 0.02 0.00 2.88 0.13 -1.89 -3.30 132.00 136.77 1hkc h PRO 421 Ca -0.41 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1hkc h PRO 421 Cb 1.21 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1hkc h PRO 421 CO 0.82 0.19 -1.45 1.04 -0.23 0.00 0.00 178.00 178.37 1hkc n GLN 422 N -4.33 0.85 0.08 0.86 1.13 -1.26 -4.75 117.38 109.95 1hkc n GLN 422 Ca -0.02 -0.10 -0.15 0.00 -1.94 0.00 0.00 57.00 54.78 1hkc n GLN 422 Cb 0.24 -1.31 -0.09 0.00 0.11 0.00 0.00 30.24 29.19 1hkc n GLN 422 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1hkc h TYR 423 N 0.00 -1.46 -0.79 1.08 5.03 -1.90 -1.68 116.97 117.24 1hkc h TYR 423 Ca 0.00 0.04 0.08 0.00 2.58 0.00 0.00 58.73 61.44 1hkc h TYR 423 Cb 0.59 0.63 -0.11 0.00 1.55 0.00 0.00 36.73 39.39 1hkc h TYR 423 CO 0.00 -0.55 -0.55 1.03 -1.32 0.00 0.00 178.16 176.77 1hkc h SER 424 N -0.67 -1.94 -0.31 -2.11 0.87 -1.78 0.14 113.55 107.74 1hkc h SER 424 Ca 0.00 0.30 0.02 0.00 -1.23 0.00 0.00 61.79 60.88 1hkc h SER 424 Cb 0.70 0.86 -0.02 0.00 -0.44 0.00 0.00 62.40 63.49 1hkc h SER 424 CO -0.30 -0.30 0.16 0.03 -0.53 0.00 0.00 176.83 175.89 1hkc h ARG 425 N -0.14 0.32 -0.56 2.24 3.08 -1.81 -0.98 114.38 116.53 1hkc h ARG 425 Ca 0.15 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 1hkc h ARG 425 Cb 0.50 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1hkc h ARG 425 CO -0.82 0.21 0.13 0.00 -1.07 0.00 0.00 179.97 178.42 1hkc h ARG 426 N 0.33 0.89 -0.25 0.04 3.08 -0.68 -1.48 114.38 116.31 1hkc h ARG 426 Ca 0.13 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1hkc h ARG 426 Cb 0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1hkc h ARG 426 CO -0.08 0.84 0.16 0.35 -1.07 0.00 0.00 179.97 180.17 1hkc h PHE 427 N 0.79 0.32 -0.31 3.04 3.57 -0.50 -1.45 116.94 122.40 1hkc h PHE 427 Ca 0.17 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1hkc h PHE 427 Cb 0.35 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1hkc h PHE 427 CO 0.02 0.21 -0.01 0.45 -2.23 0.00 0.00 178.31 176.75 1hkc h HIS 428 N 0.34 0.60 0.27 0.41 3.86 -1.06 -1.63 115.15 117.94 1hkc h HIS 428 Ca 0.09 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1hkc h HIS 428 Cb -0.03 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 1hkc h HIS 428 CO -0.06 0.69 -0.37 -0.22 0.86 0.00 0.00 177.93 178.83 1hkc h LYS 429 N 0.34 -0.68 -0.77 2.45 3.64 -1.10 -0.04 116.57 120.42 1hkc h LYS 429 Ca 0.09 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 1hkc h LYS 429 Cb 0.45 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 1hkc h LYS 429 CO 0.02 -0.45 0.47 1.15 -2.27 0.00 0.00 179.45 178.36 1hkc h THR 430 N -0.70 1.03 -0.74 1.00 2.02 -1.28 -2.51 112.91 111.74 1hkc h THR 430 Ca -0.01 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 1hkc h THR 430 Cb 0.67 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1hkc h THR 430 CO -0.13 0.16 0.37 0.25 0.37 0.00 0.00 175.52 176.54 1hkc h LEU 431 N 0.87 0.95 -1.68 2.58 5.85 -0.87 -2.01 115.31 121.00 1hkc h LEU 431 Ca 0.33 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1hkc h LEU 431 Cb 0.14 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1hkc h LEU 431 CO -0.16 0.81 0.00 0.03 -0.34 0.00 0.00 178.44 178.78 1hkc h ARG 432 N 1.03 0.00 0.00 1.25 3.08 -0.59 -1.97 114.38 117.19 1hkc h ARG 432 Ca 0.26 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.14 1hkc h ARG 432 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1hkc h ARG 432 CO -0.04 0.00 -1.47 -2.13 -1.07 0.00 0.00 179.97 175.26 1hkc n ARG 433 N -2.93 0.62 -0.01 0.04 0.63 -0.81 -4.10 116.66 110.10 1hkc n ARG 433 Ca -0.00 0.20 -0.22 0.00 -0.92 0.00 0.00 57.85 56.91 1hkc n ARG 433 Cb 0.23 -1.79 -0.14 0.00 0.45 0.00 0.00 32.46 31.22 1hkc n ARG 433 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1hkc n LEU 434 N -2.86 2.53 -4.09 6.15 4.77 -0.85 -4.59 117.00 118.07 1hkc n LEU 434 Ca -0.10 0.24 -0.36 0.00 -0.03 0.00 0.00 56.01 55.76 1hkc n LEU 434 Cb 0.84 -1.11 -0.08 0.00 -2.33 0.00 0.00 43.42 40.74 1hkc n LEU 434 CO 0.43 0.78 0.18 -0.69 -1.33 0.00 0.00 177.39 176.75 1hkc s VAL 435 N -2.53 3.96 -0.08 4.08 1.01 -0.77 -4.97 120.40 121.10 1hkc s VAL 435 Ca -0.23 -3.48 -0.26 0.00 0.00 0.00 0.00 61.98 58.01 1hkc s VAL 435 Cb 0.06 -3.52 -0.25 0.00 0.00 0.00 0.00 36.38 32.68 1hkc s VAL 435 CO 0.75 -0.99 0.95 1.55 0.00 0.00 0.00 175.10 177.36 1hkc h PRO 436 N 6.44 0.10 -3.51 2.72 0.14 -1.81 -3.39 132.00 132.69 1hkc h PRO 436 Ca 0.08 -0.13 -0.65 0.00 0.14 0.00 0.00 66.00 65.44 1hkc h PRO 436 Cb 0.87 0.04 0.00 0.00 0.14 0.00 0.00 31.00 32.06 1hkc h PRO 436 CO 0.78 0.93 3.37 -0.25 0.14 0.00 0.00 178.00 182.97 1hkc n ASP 437 N -4.55 6.18 -3.62 1.44 9.92 -1.26 -4.79 116.55 119.88 1hkc n ASP 437 Ca -0.10 -2.65 -0.06 0.00 -0.53 0.00 0.00 54.79 51.45 1hkc n ASP 437 Cb 0.50 -1.52 -0.06 0.00 -0.64 0.00 0.00 41.12 39.40 1hkc n ASP 437 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1hkc s SER 438 N 2.87 -0.22 -0.27 -2.24 1.04 -1.26 -1.17 113.70 112.45 1hkc s SER 438 Ca 0.58 0.32 0.01 0.00 0.48 0.00 0.00 55.95 57.35 1hkc s SER 438 Cb 0.16 0.29 0.06 0.00 0.10 0.00 0.00 66.02 66.63 1hkc s SER 438 CO -0.06 -0.14 -0.07 1.51 0.98 0.00 0.00 173.24 175.46 1hkc s ASP 439 N -0.56 4.60 -0.16 7.02 -4.77 0.17 -4.91 116.67 118.06 1hkc s ASP 439 Ca 0.04 -1.36 -0.07 0.00 -3.30 0.00 0.00 52.55 47.86 1hkc s ASP 439 Cb -0.03 -1.60 -0.04 0.00 -1.09 0.00 0.00 42.92 40.16 1hkc s ASP 439 CO -0.07 -0.21 0.09 -0.69 0.70 0.00 0.00 175.17 174.99 1hkc s VAL 440 N 1.15 5.08 -0.19 2.11 1.01 -1.26 -2.70 120.40 125.61 1hkc s VAL 440 Ca -0.08 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 1hkc s VAL 440 Cb -0.20 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1hkc s VAL 440 CO -0.04 0.52 0.06 -0.60 0.00 0.00 0.00 175.10 175.04 1hkc s ARG 441 N -0.16 3.92 -0.35 2.72 3.52 0.98 -4.95 118.95 124.63 1hkc s ARG 441 Ca 0.09 -0.37 -0.09 0.00 -0.13 0.00 0.00 55.73 55.23 1hkc s ARG 441 Cb -0.12 -3.21 0.03 0.00 -1.56 0.00 0.00 34.95 30.09 1hkc s ARG 441 CO 0.01 0.22 0.15 -0.06 -0.81 0.00 0.00 175.30 174.81 1hkc s PHE 442 N 0.52 3.24 -0.24 5.12 0.08 -1.26 0.16 117.98 125.60 1hkc s PHE 442 Ca 0.03 -1.16 -0.10 0.00 0.12 0.00 0.00 56.93 55.82 1hkc s PHE 442 Cb -0.13 -2.36 -0.05 0.00 -0.57 0.00 0.00 43.02 39.92 1hkc s PHE 442 CO 0.01 -0.68 0.15 -1.17 -0.10 0.00 0.00 175.22 173.44 1hkc s LEU 443 N 1.48 4.03 0.21 -0.37 2.96 -0.32 -4.97 118.68 121.70 1hkc s LEU 443 Ca 0.00 0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1hkc s LEU 443 Cb -0.19 -2.08 -0.06 0.00 0.50 0.00 0.00 46.19 44.35 1hkc s LEU 443 CO 0.05 0.05 0.49 -0.22 -1.32 0.00 0.00 176.35 175.39 1hkc s LEU 444 N 1.17 4.19 0.02 -0.68 1.98 -1.26 -1.09 118.68 123.00 1hkc s LEU 444 Ca 0.07 0.78 0.07 0.00 -2.89 0.00 0.00 54.13 52.16 1hkc s LEU 444 Cb -0.14 -3.53 -0.02 0.00 0.66 0.00 0.00 46.19 43.15 1hkc s LEU 444 CO 0.05 -0.05 -0.22 -0.94 -1.89 0.00 0.00 176.35 173.31 1hkc s SER 445 N -2.50 2.56 0.00 3.68 1.04 -1.20 -4.95 113.70 112.33 1hkc s SER 445 Ca 0.45 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1hkc s SER 445 Cb -0.11 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.76 1hkc s SER 445 CO 0.24 0.21 0.35 -0.62 0.98 0.00 0.00 173.24 174.39 1hkc n GLU 446 N 2.09 0.00 0.11 4.02 4.71 -1.26 -4.05 120.64 126.27 1hkc n GLU 446 Ca -0.16 0.01 0.03 0.00 -0.01 0.00 0.00 57.16 57.02 1hkc n GLU 446 Cb 0.53 -0.85 0.00 0.00 -1.01 0.00 0.00 31.44 30.11 1hkc n GLU 446 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1hkc h SER 447 N 0.00 0.00 0.00 1.62 0.87 -2.00 -3.47 113.55 110.57 1hkc h SER 447 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1hkc h SER 447 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1hkc h SER 447 CO 0.00 0.47 0.00 0.61 -0.53 0.00 0.00 176.83 177.38 1hkc n GLY 448 N 1.26 0.22 0.31 5.77 0.00 -1.26 -3.39 105.19 108.10 1hkc n GLY 448 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1hkc n GLY 448 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hkc n SER 449 N 0.44 1.61 0.00 1.61 7.64 -1.26 -2.52 113.62 121.13 1hkc n SER 449 Ca 0.00 -1.30 -0.08 0.00 1.01 0.00 0.00 58.87 58.49 1hkc n SER 449 Cb 0.00 0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 1hkc n SER 449 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1hkc h GLY 450 N 1.61 -0.13 2.00 0.23 0.00 -1.89 -2.91 103.07 101.98 1hkc h GLY 450 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1hkc h GLY 450 CO 0.00 -0.05 -0.10 1.70 0.00 0.00 0.00 176.54 178.09 1hkc h LYS 451 N -0.95 0.00 0.42 4.80 3.64 -1.88 -3.25 116.57 119.34 1hkc h LYS 451 Ca -0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1hkc h LYS 451 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1hkc h LYS 451 CO 0.02 0.10 -0.20 0.78 -2.27 0.00 0.00 179.45 177.88 1hkc h GLY 452 N 2.58 -0.59 0.96 5.01 0.00 -1.70 -2.57 103.07 106.76 1hkc h GLY 452 Ca -0.00 0.22 0.14 0.00 0.00 0.00 0.00 47.33 47.69 1hkc h GLY 452 CO 0.01 -0.21 0.38 0.00 0.00 0.00 0.00 176.54 176.72 1hkc h ALA 453 N -0.69 2.35 -0.37 3.60 0.00 -1.59 -0.27 119.26 122.29 1hkc h ALA 453 Ca -0.06 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1hkc h ALA 453 Cb 0.55 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1hkc h ALA 453 CO 0.09 -0.63 -0.34 0.00 0.00 0.00 0.00 179.25 178.37 1hkc h ALA 454 N 1.68 0.69 -0.14 0.00 0.00 -1.56 0.71 119.26 120.65 1hkc h ALA 454 Ca 0.23 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1hkc h ALA 454 Cb 0.99 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1hkc h ALA 454 CO -0.00 0.67 -0.55 0.52 0.00 0.00 0.00 179.25 179.88 1hkc h MET 455 N 0.71 0.42 -0.03 0.00 2.86 -0.65 0.10 114.93 118.34 1hkc h MET 455 Ca 0.07 -0.27 -0.22 0.00 -2.06 0.00 0.00 59.70 57.23 1hkc h MET 455 Cb 0.90 0.03 0.02 0.00 0.06 0.00 0.00 31.60 32.61 1hkc h MET 455 CO 0.08 0.86 -0.84 0.28 1.06 0.00 0.00 176.91 178.36 1hkc h VAL 456 N 0.32 1.33 -0.24 -2.22 2.07 -1.38 -2.99 116.25 113.15 1hkc h VAL 456 Ca 0.00 -2.13 0.03 0.00 0.82 0.00 0.00 66.70 65.43 1hkc h VAL 456 Cb 1.07 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 33.19 1hkc h VAL 456 CO 0.10 0.65 0.04 0.74 0.02 0.00 0.00 177.57 179.12 1hkc h THR 457 N 0.24 0.89 -0.59 2.57 2.02 -0.74 -1.32 112.91 115.98 1hkc h THR 457 Ca -0.10 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.13 1hkc h THR 457 Cb 1.51 0.74 -0.11 0.00 -1.74 0.00 0.00 68.15 68.55 1hkc h THR 457 CO 0.17 0.02 -0.41 0.00 0.37 0.00 0.00 175.52 175.67 1hkc h ALA 458 N 1.17 -0.24 -0.60 6.16 0.00 -0.96 0.14 119.26 124.93 1hkc h ALA 458 Ca 0.11 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1hkc h ALA 458 Cb 0.11 0.91 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1hkc h ALA 458 CO -0.14 -0.78 0.23 0.28 0.00 0.00 0.00 179.25 178.83 1hkc h VAL 459 N -0.20 1.22 -0.36 0.00 2.07 -1.33 -1.62 116.25 116.03 1hkc h VAL 459 Ca 0.20 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1hkc h VAL 459 Cb 0.56 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1hkc h VAL 459 CO -0.69 0.27 0.13 0.00 0.02 0.00 0.00 177.57 177.30 1hkc h ALA 460 N 1.39 0.47 -0.01 1.67 0.00 0.12 -1.97 119.26 120.92 1hkc h ALA 460 Ca 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1hkc h ALA 460 Cb 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hkc h ALA 460 CO -0.02 0.08 0.01 -0.92 0.00 0.00 0.00 179.25 178.40 1hkc h TYR 461 N 0.43 0.01 -0.34 0.00 3.20 -0.52 -2.01 116.97 117.75 1hkc h TYR 461 Ca 0.12 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1hkc h TYR 461 Cb 0.21 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 1hkc h TYR 461 CO 0.00 0.04 -0.33 -0.09 -1.64 0.00 0.00 178.16 176.14 1hkc h ARG 462 N -0.02 -0.15 -0.01 1.82 2.43 -1.10 0.36 114.38 117.71 1hkc h ARG 462 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1hkc h ARG 462 Cb 0.03 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1hkc h ARG 462 CO -0.00 -0.10 0.10 -0.07 -1.51 0.00 0.00 179.97 178.38 1hkc h LEU 463 N -0.16 0.00 -0.29 3.80 3.38 -1.28 -1.33 115.31 119.43 1hkc h LEU 463 Ca 0.06 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 1hkc h LEU 463 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1hkc h LEU 463 CO -0.40 0.00 -0.80 0.00 0.09 0.00 0.00 178.44 177.32 1hkc h ALA 464 N 1.82 0.47 -0.08 1.53 0.00 0.44 -2.82 119.26 120.62 1hkc h ALA 464 Ca 0.01 -0.63 -0.22 0.00 0.00 0.00 0.00 54.91 54.06 1hkc h ALA 464 Cb 0.20 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1hkc h ALA 464 CO -0.00 0.76 -0.85 0.93 0.00 0.00 0.00 179.25 180.09 1hkc h GLU 465 N 0.32 0.61 -0.59 0.00 4.39 -0.27 -1.62 114.58 117.42 1hkc h GLU 465 Ca -0.05 -0.55 0.04 0.00 0.34 0.00 0.00 59.36 59.13 1hkc h GLU 465 Cb 1.41 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 30.15 1hkc h GLU 465 CO 0.14 1.17 0.34 1.96 -1.16 0.00 0.00 179.01 181.46 1hkc h GLN 466 N 0.39 0.64 -0.27 2.33 4.20 -1.49 0.37 115.11 121.28 1hkc h GLN 466 Ca -0.07 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.46 1hkc h GLN 466 Cb 1.47 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 1hkc h GLN 466 CO 0.16 0.42 -0.41 1.25 -0.67 0.00 0.00 178.83 179.58 1hkc h HIS 467 N 0.65 0.76 -0.57 2.96 2.76 -1.46 0.10 115.15 120.36 1hkc h HIS 467 Ca 0.25 -0.23 -0.06 0.00 -2.20 0.00 0.00 60.37 58.13 1hkc h HIS 467 Cb 0.09 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 1hkc h HIS 467 CO -0.07 0.94 0.11 -0.09 -1.30 0.00 0.00 177.93 177.53 1hkc h ARG 468 N 0.52 0.94 0.72 5.26 1.12 -0.41 -1.34 114.38 121.20 1hkc h ARG 468 Ca 0.04 -0.24 -0.04 0.00 -1.11 0.00 0.00 59.98 58.64 1hkc h ARG 468 Cb 0.93 -0.12 0.01 0.00 -0.01 0.00 0.00 29.97 30.78 1hkc h ARG 468 CO 0.08 0.88 -0.35 1.96 -3.11 0.00 0.00 179.97 179.44 1hkc h GLN 469 N 0.84 -0.94 -1.04 0.20 4.20 -0.09 -2.50 115.11 115.78 1hkc h GLN 469 Ca 0.18 0.06 0.29 0.00 0.06 0.00 0.00 58.65 59.24 1hkc h GLN 469 Cb 0.38 0.21 -0.13 0.00 0.30 0.00 0.00 27.48 28.25 1hkc h GLN 469 CO 0.01 -0.63 0.63 0.82 -0.67 0.00 0.00 178.83 178.99 1hkc h ILE 470 N -1.22 0.42 -0.26 2.54 2.04 -0.80 0.43 117.51 120.67 1hkc h ILE 470 Ca -0.10 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 1hkc h ILE 470 Cb 0.75 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1hkc h ILE 470 CO 0.16 0.08 -0.21 -0.33 0.00 0.00 0.00 178.15 177.85 1hkc h GLU 471 N 0.42 0.48 -0.22 2.37 4.39 -1.15 -2.18 114.58 118.69 1hkc h GLU 471 Ca 0.68 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 60.09 1hkc h GLU 471 Cb 1.55 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1hkc h GLU 471 CO -0.47 0.66 -0.33 0.93 -1.16 0.00 0.00 179.01 178.64 1hkc h GLU 472 N 0.43 0.61 -0.49 2.33 5.08 0.29 -2.70 114.58 120.13 1hkc h GLU 472 Ca 0.07 -0.36 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1hkc h GLU 472 Cb 0.60 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1hkc h GLU 472 CO 0.04 0.97 0.28 1.15 -1.00 0.00 0.00 179.01 180.45 1hkc h THR 473 N 0.30 1.01 0.00 1.13 2.02 -1.12 -1.81 112.91 114.45 1hkc h THR 473 Ca 0.02 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1hkc h THR 473 Cb 0.91 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1hkc h THR 473 CO 0.08 0.10 0.00 0.18 0.37 0.00 0.00 175.52 176.25 1hkc n LEU 474 N -4.84 0.04 0.19 2.58 4.77 -0.83 -3.26 117.00 115.64 1hkc n LEU 474 Ca 0.04 0.51 0.03 0.00 -0.03 0.00 0.00 56.01 56.55 1hkc n LEU 474 Cb 0.10 -0.50 0.37 0.00 -2.33 0.00 0.00 43.42 41.06 1hkc n LEU 474 CO 0.31 -0.13 0.74 0.00 -1.33 0.00 0.00 177.39 176.98 1hkc h ALA 475 N 2.75 1.41 0.00 -1.18 0.00 -0.97 -2.27 119.26 118.99 1hkc h ALA 475 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1hkc h ALA 475 Cb 0.39 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1hkc h ALA 475 CO 0.00 0.45 -0.06 0.45 0.00 0.00 0.00 179.25 180.09 1hkc h HIS 476 N 0.00 0.00 -0.00 0.00 3.86 -1.66 -0.52 115.15 116.84 1hkc h HIS 476 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1hkc h HIS 476 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1hkc h HIS 476 CO 0.00 0.06 -0.07 1.19 0.86 0.00 0.00 177.93 179.97 1hkc n PHE 477 N -3.76 0.00 -2.92 2.45 3.72 -0.85 -4.75 117.46 111.35 1hkc n PHE 477 Ca -0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.95 1hkc n PHE 477 Cb 0.15 -0.29 -0.05 0.00 -0.94 0.00 0.00 39.48 38.35 1hkc n PHE 477 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1hkc s HIS 478 N -2.65 3.01 -0.07 1.38 2.46 -0.20 -4.71 115.29 114.50 1hkc s HIS 478 Ca 0.25 0.34 -0.13 0.00 0.47 0.00 0.00 55.06 55.98 1hkc s HIS 478 Cb 0.20 -3.68 -0.05 0.00 -0.13 0.00 0.00 32.58 28.92 1hkc s HIS 478 CO 0.49 -0.95 0.34 -0.51 -2.47 0.00 0.00 174.74 171.64 1hkc s LEU 479 N 3.37 4.38 0.30 8.88 2.01 -1.26 -5.07 118.68 131.30 1hkc s LEU 479 Ca 0.32 0.74 0.00 0.00 0.01 0.00 0.00 54.13 55.21 1hkc s LEU 479 Cb -0.12 -2.45 -0.04 0.00 0.01 0.00 0.00 46.19 43.60 1hkc s LEU 479 CO 0.22 0.25 0.50 0.42 1.01 0.00 0.00 176.35 178.75 1hkc s THR 480 N -0.50 5.13 0.66 5.49 -4.23 -1.26 -4.93 115.64 116.00 1hkc s THR 480 Ca 0.20 -0.44 0.33 0.00 -1.18 0.00 0.00 61.69 60.60 1hkc s THR 480 Cb -0.15 -3.82 0.34 0.00 1.34 0.00 0.00 72.50 70.21 1hkc s THR 480 CO 0.09 -0.44 2.02 0.50 -0.54 0.00 0.00 174.62 176.25 1hkc h LYS 481 N 1.13 0.00 0.22 3.99 3.64 -1.98 -0.34 116.57 123.23 1hkc h LYS 481 Ca -0.49 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.55 1hkc h LYS 481 Cb 1.21 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.06 1hkc h LYS 481 CO 0.63 0.00 -1.58 -0.44 -2.27 0.00 0.00 179.45 175.79 1hkc h ASP 482 N 0.00 0.74 -0.45 4.20 3.32 -1.99 -2.67 116.42 119.57 1hkc h ASP 482 Ca 0.02 -0.93 -0.04 0.00 0.02 0.00 0.00 57.03 56.10 1hkc h ASP 482 Cb 0.56 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1hkc h ASP 482 CO -0.00 1.74 0.13 0.24 -1.72 0.00 0.00 179.24 179.63 1hkc h MET 483 N 0.11 0.71 -0.36 3.56 2.86 -1.50 -1.89 114.93 118.41 1hkc h MET 483 Ca -0.29 -0.16 0.05 0.00 -2.06 0.00 0.00 59.70 57.24 1hkc h MET 483 Cb 2.13 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.67 1hkc h MET 483 CO 0.23 0.69 0.24 -0.07 1.06 0.00 0.00 176.91 179.07 1hkc h LEU 484 N 0.59 0.22 -0.49 1.22 3.38 -1.27 0.80 115.31 119.77 1hkc h LEU 484 Ca 0.14 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 1hkc h LEU 484 Cb 0.29 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1hkc h LEU 484 CO -0.00 0.14 -0.74 -0.07 0.09 0.00 0.00 178.44 177.86 1hkc h LEU 485 N 0.25 0.20 -0.18 1.67 3.38 -1.00 -1.52 115.31 118.10 1hkc h LEU 485 Ca 0.16 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1hkc h LEU 485 Cb 0.31 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1hkc h LEU 485 CO -0.03 0.86 -0.18 -0.33 0.09 0.00 0.00 178.44 178.86 1hkc h GLU 486 N 0.11 0.45 -0.64 1.13 4.39 -0.23 0.20 114.58 119.98 1hkc h GLU 486 Ca -0.02 -0.23 0.06 0.00 0.34 0.00 0.00 59.36 59.51 1hkc h GLU 486 Cb 1.30 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.90 1hkc h GLU 486 CO 0.11 0.80 0.34 0.28 -1.16 0.00 0.00 179.01 179.38 1hkc h VAL 487 N 0.11 0.93 -0.51 3.13 2.07 -0.87 0.94 116.25 122.05 1hkc h VAL 487 Ca 0.03 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 1hkc h VAL 487 Cb 0.72 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1hkc h VAL 487 CO 0.04 0.11 -0.02 0.50 0.02 0.00 0.00 177.57 178.23 1hkc h LYS 488 N 0.62 0.87 0.01 1.57 3.64 -1.09 0.01 116.57 122.19 1hkc h LYS 488 Ca 0.29 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1hkc h LYS 488 Cb 0.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1hkc h LYS 488 CO -0.20 0.88 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.63 1hkc h LYS 489 N 0.80 -0.02 -0.74 1.90 3.64 0.16 -2.49 116.57 119.82 1hkc h LYS 489 Ca 0.15 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1hkc h LYS 489 Cb 0.51 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1hkc h LYS 489 CO 0.03 0.14 0.23 0.00 -2.27 0.00 0.00 179.45 177.58 1hkc h ARG 490 N -0.17 1.16 -0.31 1.90 3.08 0.10 -2.60 114.38 117.53 1hkc h ARG 490 Ca -0.00 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 59.82 1hkc h ARG 490 Cb 0.17 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1hkc h ARG 490 CO 0.00 0.98 0.14 1.98 -1.07 0.00 0.00 179.97 182.01 1hkc h MET 491 N 1.10 0.29 -0.89 0.04 4.05 -0.94 -1.04 114.93 117.55 1hkc h MET 491 Ca 0.24 -0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.72 1hkc h MET 491 Cb 0.31 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.98 1hkc h MET 491 CO -0.01 0.19 0.58 -0.09 0.23 0.00 0.00 176.91 177.81 1hkc h ARG 492 N 0.30 0.91 -0.38 0.39 9.65 -1.19 0.00 114.38 124.07 1hkc h ARG 492 Ca 0.13 -0.05 -0.16 0.00 -1.10 0.00 0.00 59.98 58.79 1hkc h ARG 492 Cb 0.06 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 1hkc h ARG 492 CO -0.10 0.60 -0.40 0.00 2.80 0.00 0.00 179.97 182.87 1hkc h ALA 493 N 1.54 0.56 -0.62 2.80 0.00 -1.06 -2.68 119.26 119.80 1hkc h ALA 493 Ca 0.40 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hkc h ALA 493 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1hkc h ALA 493 CO -0.16 0.68 0.37 0.93 0.00 0.00 0.00 179.25 181.07 1hkc h GLU 494 N 0.76 0.84 -0.49 0.00 4.39 -0.09 -2.12 114.58 117.87 1hkc h GLU 494 Ca 0.06 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 59.75 1hkc h GLU 494 Cb 1.00 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 29.41 1hkc h GLU 494 CO 0.10 0.61 0.13 0.52 -1.16 0.00 0.00 179.01 179.21 1hkc h MET 495 N 0.84 0.27 -0.32 2.33 2.86 -0.88 -2.45 114.93 117.59 1hkc h MET 495 Ca 0.22 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1hkc h MET 495 Cb -0.02 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1hkc h MET 495 CO -0.04 0.18 0.19 0.93 1.06 0.00 0.00 176.91 179.23 1hkc h GLU 496 N 0.28 0.44 -0.79 1.72 4.39 -1.11 -2.23 114.58 117.28 1hkc h GLU 496 Ca 0.24 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.99 1hkc h GLU 496 Cb 0.29 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 1hkc h GLU 496 CO -0.28 0.35 0.52 -0.07 -1.16 0.00 0.00 179.01 178.36 1hkc h LEU 497 N 0.41 0.68 -0.59 1.33 3.38 -0.96 -1.19 115.31 118.37 1hkc h LEU 497 Ca 0.11 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1hkc h LEU 497 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1hkc h LEU 497 CO -0.02 0.41 -0.35 1.23 0.09 0.00 0.00 178.44 179.80 1hkc h GLY 498 N 0.75 0.00 0.94 0.83 0.00 -1.03 -2.86 103.07 101.70 1hkc h GLY 498 Ca 0.36 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.35 1hkc h GLY 498 CO -0.14 0.00 -1.69 1.41 0.00 0.00 0.00 176.54 176.13 1hkc h LEU 499 N 0.00 0.64 -9.92 3.11 3.38 -0.70 -3.43 115.31 108.39 1hkc h LEU 499 Ca -0.00 -0.93 -0.53 0.00 0.09 0.00 0.00 57.88 56.50 1hkc h LEU 499 Cb 1.04 -0.21 0.09 0.00 0.09 0.00 0.00 40.66 41.67 1hkc h LEU 499 CO 0.05 1.77 0.75 -0.13 0.09 0.00 0.00 178.44 180.97 1hkc s ARG 500 N -2.57 4.17 0.35 1.13 0.52 -0.55 -3.18 118.95 118.82 1hkc s ARG 500 Ca -0.15 2.49 0.18 0.00 -0.52 0.00 0.00 55.73 57.72 1hkc s ARG 500 Cb 0.05 -3.00 0.53 0.00 0.52 0.00 0.00 34.95 33.06 1hkc s ARG 500 CO 0.86 -0.46 1.66 -0.22 0.02 0.00 0.00 175.30 177.16 1hkc h LYS 501 N 3.24 0.00 0.00 3.54 3.64 -1.87 -2.29 116.57 122.83 1hkc h LYS 501 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1hkc h LYS 501 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1hkc h LYS 501 CO 0.66 0.42 0.00 0.37 -2.27 0.00 0.00 179.45 178.63 1hkc h GLN 502 N 0.00 0.00 0.00 1.90 4.15 -1.91 -3.34 115.11 115.91 1hkc h GLN 502 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1hkc h GLN 502 Cb 1.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.71 1hkc h GLN 502 CO 0.05 0.00 0.00 0.25 -1.93 0.00 0.00 178.83 177.20 1hkc n THR 503 N -2.70 0.00 -0.22 2.39 -2.24 -1.21 -4.86 114.28 105.43 1hkc n THR 503 Ca 0.03 -0.25 0.03 0.00 -2.27 0.00 0.00 64.05 61.59 1hkc n THR 503 Cb 0.36 1.28 0.14 0.00 -2.10 0.00 0.00 70.33 70.01 1hkc n THR 503 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1hkc h HIS 504 N 0.00 0.28 0.00 4.78 -0.00 -1.16 -1.42 115.15 117.62 1hkc h HIS 504 Ca 0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1hkc h HIS 504 Cb 0.14 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 27.53 1hkc h HIS 504 CO 0.00 -0.03 -0.00 -0.91 -0.00 0.00 0.00 177.93 176.99 1hkc h ASN 505 N 0.30 0.00 -0.05 3.26 2.35 -1.88 -2.07 115.58 117.49 1hkc h ASN 505 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1hkc h ASN 505 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1hkc h ASN 505 CO -0.43 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 175.94 1hkc n ASN 506 N -3.14 2.13 -4.78 5.81 3.02 -0.59 -5.00 115.26 112.71 1hkc n ASN 506 Ca -0.03 -1.56 -0.37 0.00 -0.03 0.00 0.00 54.58 52.59 1hkc n ASN 506 Cb 0.09 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.18 1hkc n ASN 506 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hkc s ALA 507 N -1.03 3.18 -0.04 5.41 0.00 -0.78 -4.98 121.76 123.51 1hkc s ALA 507 Ca 0.16 0.54 0.12 0.00 0.00 0.00 0.00 51.96 52.78 1hkc s ALA 507 Cb 0.11 -3.20 -0.23 0.00 0.00 0.00 0.00 23.12 19.80 1hkc s ALA 507 CO 0.16 0.11 0.67 -0.39 0.00 0.00 0.00 175.76 176.31 1hkc h VAL 508 N 2.49 0.86 -3.17 0.00 -1.51 -1.90 -3.39 116.25 109.63 1hkc h VAL 508 Ca -0.47 -2.71 -0.75 0.00 -1.23 0.00 0.00 66.70 61.54 1hkc h VAL 508 Cb 1.19 2.43 -0.22 0.00 -2.13 0.00 0.00 31.29 32.56 1hkc h VAL 508 CO 0.64 0.50 0.47 -0.69 -1.23 0.00 0.00 177.57 177.26 1hkc s VAL 509 N -2.60 5.26 0.52 7.19 1.01 -1.26 -4.59 120.40 125.93 1hkc s VAL 509 Ca -0.05 -2.19 0.27 0.00 0.00 0.00 0.00 61.98 60.01 1hkc s VAL 509 Cb 0.08 -4.62 0.43 0.00 0.00 0.00 0.00 36.38 32.26 1hkc s VAL 509 CO 0.82 -1.26 1.94 0.11 0.00 0.00 0.00 175.10 176.72 1hkc h LYS 510 N 8.09 0.05 -6.29 2.72 1.79 -1.76 -3.38 116.57 117.80 1hkc h LYS 510 Ca 0.14 -0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.18 1hkc h LYS 510 Cb 1.02 -0.01 0.07 0.00 -1.58 0.00 0.00 32.23 31.72 1hkc h LYS 510 CO 0.93 0.03 -0.91 -1.33 -1.08 0.00 0.00 179.45 177.10 1hkc n MET 511 N -4.35 -1.14 -2.80 3.15 2.81 -0.97 -4.73 117.12 109.09 1hkc n MET 511 Ca 0.14 0.50 -0.38 0.00 -1.81 0.00 0.00 57.70 56.14 1hkc n MET 511 Cb 0.74 -3.91 -0.06 0.00 -0.71 0.00 0.00 33.22 29.28 1hkc n MET 511 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1hkc s LEU 512 N -6.32 4.49 0.12 4.03 1.43 -0.30 -4.79 118.68 117.34 1hkc s LEU 512 Ca 0.42 1.85 -0.28 0.00 -1.03 0.00 0.00 54.13 55.10 1hkc s LEU 512 Cb -0.16 -3.77 -0.07 0.00 0.03 0.00 0.00 46.19 42.22 1hkc s LEU 512 CO 0.87 0.05 0.86 -2.16 0.23 0.00 0.00 176.35 176.20 1hkc s PRO 513 N -1.61 4.63 0.20 1.29 0.05 -1.26 0.77 135.00 139.07 1hkc s PRO 513 Ca 0.45 1.28 0.23 0.00 0.05 0.00 0.00 61.00 63.01 1hkc s PRO 513 Cb -0.22 -3.34 0.13 0.00 0.05 0.00 0.00 34.50 31.13 1hkc s PRO 513 CO 0.27 0.35 1.18 0.66 0.05 0.00 0.00 177.00 179.51 1hkc h SER 514 N 5.16 0.00 -0.20 6.66 4.64 -1.58 -3.44 113.55 124.79 1hkc h SER 514 Ca -0.44 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 60.72 1hkc h SER 514 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 1hkc h SER 514 CO 0.70 0.04 -0.08 0.49 -0.87 0.00 0.00 176.83 177.11 1hkc n PHE 515 N -2.53 0.00 -3.16 4.77 3.72 -1.26 -4.61 117.46 114.39 1hkc n PHE 515 Ca 0.01 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.96 1hkc n PHE 515 Cb 0.51 -1.14 -0.04 0.00 -0.94 0.00 0.00 39.48 37.86 1hkc n PHE 515 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1hkc s VAL 516 N -2.04 4.94 -2.04 -4.37 1.01 -1.26 -4.76 120.40 111.88 1hkc s VAL 516 Ca 0.00 -1.18 0.29 0.00 0.00 0.00 0.00 61.98 61.09 1hkc s VAL 516 Cb 0.00 -4.46 0.62 0.00 0.00 0.00 0.00 36.38 32.54 1hkc s VAL 516 CO 0.00 -1.07 1.93 0.54 0.00 0.00 0.00 175.10 176.50 1hkc n ARG 517 N 6.00 1.11 -3.58 2.72 1.74 -1.26 -1.84 116.66 121.54 1hkc n ARG 517 Ca -0.09 -0.41 -0.15 0.00 -0.77 0.00 0.00 57.85 56.43 1hkc n ARG 517 Cb 0.42 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 1hkc n ARG 517 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1hkc s ARG 518 N -2.17 0.88 0.60 5.56 3.52 -1.26 -4.42 118.95 121.66 1hkc s ARG 518 Ca 0.38 0.57 -0.08 0.00 -0.13 0.00 0.00 55.73 56.46 1hkc s ARG 518 Cb 0.21 0.42 -0.01 0.00 -1.56 0.00 0.00 34.95 34.01 1hkc s ARG 518 CO 0.40 -0.20 0.94 0.95 -0.81 0.00 0.00 175.30 176.58 1hkc s THR 519 N -0.45 4.15 0.76 4.11 -4.23 -1.26 -5.01 115.64 113.71 1hkc s THR 519 Ca -0.05 0.35 -0.15 0.00 -1.18 0.00 0.00 61.69 60.66 1hkc s THR 519 Cb -0.02 -3.65 0.05 0.00 1.34 0.00 0.00 72.50 70.22 1hkc s THR 519 CO 0.04 -0.74 1.19 -0.81 -0.54 0.00 0.00 174.62 173.76 1hkc n PRO 520 N -2.63 0.45 0.00 3.99 -0.04 -1.26 -4.92 135.00 130.58 1hkc n PRO 520 Ca 0.04 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1hkc n PRO 520 Cb 0.56 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1hkc n PRO 520 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1hkc n ASP 521 N -2.72 0.77 0.00 3.54 5.75 -1.26 -4.75 116.55 117.88 1hkc n ASP 521 Ca 0.14 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 54.01 1hkc n ASP 521 Cb 0.50 0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 1hkc n ASP 521 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hkc n GLY 522 N 0.15 2.98 0.32 6.12 0.00 -1.26 -4.90 105.19 108.60 1hkc n GLY 522 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 1hkc n GLY 522 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1hkc h THR 523 N 0.00 0.00 -2.57 2.61 2.02 -1.94 -3.42 112.91 109.60 1hkc h THR 523 Ca 0.00 -0.16 -0.52 0.00 0.77 0.00 0.00 66.41 66.49 1hkc h THR 523 Cb 0.00 1.16 0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1hkc h THR 523 CO 0.00 0.00 1.08 -1.61 0.37 0.00 0.00 175.52 175.36 1hkc s GLU 524 N -3.99 4.14 -0.16 6.66 8.01 -1.26 -4.80 118.70 127.30 1hkc s GLU 524 Ca -0.03 2.59 -0.10 0.00 0.01 0.00 0.00 54.97 57.43 1hkc s GLU 524 Cb 0.12 -3.47 0.05 0.00 -4.31 0.00 0.00 34.13 26.52 1hkc s GLU 524 CO 0.45 -0.82 0.39 1.21 0.01 0.00 0.00 175.26 176.51 1hkc s ASN 525 N 2.34 -0.46 0.00 -0.19 2.47 -1.26 -3.17 114.94 114.66 1hkc s ASN 525 Ca 0.79 0.83 0.00 0.00 0.42 0.00 0.00 52.86 54.90 1hkc s ASN 525 Cb -0.47 0.75 0.00 0.00 -1.45 0.00 0.00 41.25 40.08 1hkc s ASN 525 CO 0.35 -0.17 0.00 0.61 -3.72 0.00 0.00 177.10 174.17 1hkc n GLY 526 N 3.82 -1.21 3.31 1.21 0.00 0.47 -4.96 105.19 107.83 1hkc n GLY 526 Ca -0.20 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 1hkc n GLY 526 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hkc s ASP 527 N -0.59 4.26 0.10 1.61 1.01 -1.26 0.12 116.67 121.93 1hkc s ASP 527 Ca 0.00 -0.40 0.07 0.00 0.71 0.00 0.00 52.55 52.93 1hkc s ASP 527 Cb 0.00 -1.73 -0.03 0.00 1.01 0.00 0.00 42.92 42.17 1hkc s ASP 527 CO 0.00 -0.02 -0.18 -0.36 0.21 0.00 0.00 175.17 174.82 1hkc s PHE 528 N 1.46 1.60 0.13 4.23 0.08 0.26 -4.58 117.98 121.16 1hkc s PHE 528 Ca 0.06 -0.45 0.04 0.00 0.12 0.00 0.00 56.93 56.70 1hkc s PHE 528 Cb -0.14 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 1hkc s PHE 528 CO -0.03 0.18 0.10 -0.51 -0.10 0.00 0.00 175.22 174.85 1hkc s LEU 529 N -2.02 3.76 0.01 -0.37 1.43 -0.31 0.15 118.68 121.32 1hkc s LEU 529 Ca 0.06 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1hkc s LEU 529 Cb -0.09 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 1hkc s LEU 529 CO 0.04 0.11 0.00 0.00 0.23 0.00 0.00 176.35 176.73 1hkc s ALA 530 N -1.59 0.02 -0.14 4.21 0.00 -0.70 -1.10 121.76 122.46 1hkc s ALA 530 Ca 0.30 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1hkc s ALA 530 Cb -0.11 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1hkc s ALA 530 CO 0.22 -0.12 -0.21 -1.17 0.00 0.00 0.00 175.76 174.48 1hkc s LEU 531 N -1.05 2.07 -0.51 0.00 2.96 -0.13 -1.00 118.68 121.01 1hkc s LEU 531 Ca -0.11 -0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 53.17 1hkc s LEU 531 Cb -0.07 -1.41 0.13 0.00 0.50 0.00 0.00 46.19 45.34 1hkc s LEU 531 CO -0.00 0.07 0.33 -0.62 -1.32 0.00 0.00 176.35 174.80 1hkc s ASP 532 N 0.86 5.36 -0.31 3.68 2.15 0.71 -0.70 116.67 128.42 1hkc s ASP 532 Ca -0.06 -2.33 -0.05 0.00 0.43 0.00 0.00 52.55 50.53 1hkc s ASP 532 Cb -0.15 -1.88 0.03 0.00 -0.30 0.00 0.00 42.92 40.62 1hkc s ASP 532 CO -0.03 -0.50 0.06 -0.22 -0.17 0.00 0.00 175.17 174.31 1hkc s LEU 533 N 0.71 4.03 0.00 -1.34 2.96 -0.38 -1.87 118.68 122.79 1hkc s LEU 533 Ca 0.11 -1.04 0.06 0.00 -0.22 0.00 0.00 54.13 53.04 1hkc s LEU 533 Cb -0.22 -1.82 0.09 0.00 0.50 0.00 0.00 46.19 44.74 1hkc s LEU 533 CO -0.04 -0.27 0.92 0.61 -1.32 0.00 0.00 176.35 176.26 1hkc n GLY 534 N 4.78 0.73 0.00 7.98 0.00 -1.26 -1.09 105.19 116.32 1hkc n GLY 534 Ca -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1hkc n GLY 534 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hkc n GLY 535 N 0.11 -2.09 0.41 -0.02 0.00 -1.26 -4.95 105.19 97.38 1hkc n GLY 535 Ca -0.10 -1.25 0.23 0.00 0.00 0.00 0.00 46.02 44.89 1hkc n GLY 535 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1hkc h THR 536 N 0.00 0.63 -3.69 2.61 2.02 -1.88 -3.32 112.91 109.28 1hkc h THR 536 Ca 0.00 0.00 -0.68 0.00 0.77 0.00 0.00 66.41 66.50 1hkc h THR 536 Cb 0.00 0.67 -0.36 0.00 -1.74 0.00 0.00 68.15 66.73 1hkc h THR 536 CO 0.00 0.00 -0.68 0.20 0.37 0.00 0.00 175.52 175.41 1hkc s ASN 537 N -5.92 4.90 0.47 4.18 0.01 -1.26 0.25 114.94 117.57 1hkc s ASN 537 Ca -0.05 -1.71 0.07 0.00 -0.71 0.00 0.00 52.86 50.46 1hkc s ASN 537 Cb 0.20 -1.70 -0.00 0.00 0.41 0.00 0.00 41.25 40.15 1hkc s ASN 537 CO 0.72 -0.36 0.33 0.72 -1.51 0.00 0.00 177.10 177.00 1hkc s PHE 538 N 1.12 2.20 0.04 2.20 -0.71 -0.44 -4.69 117.98 117.70 1hkc s PHE 538 Ca 0.02 -0.67 -0.06 0.00 -1.04 0.00 0.00 56.93 55.17 1hkc s PHE 538 Cb -0.20 -2.00 -0.01 0.00 -1.21 0.00 0.00 43.02 39.60 1hkc s PHE 538 CO -0.04 -0.19 0.11 -0.98 -1.34 0.00 0.00 175.22 172.78 1hkc s ARG 539 N -4.13 0.61 0.13 1.99 1.70 -0.78 -0.46 118.95 118.00 1hkc s ARG 539 Ca 0.40 -0.76 0.07 0.00 -0.47 0.00 0.00 55.73 54.96 1hkc s ARG 539 Cb -0.01 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 1hkc s ARG 539 CO 0.23 -0.16 -0.05 0.08 -1.08 0.00 0.00 175.30 174.33 1hkc s VAL 540 N -2.70 3.62 0.03 4.99 1.01 -1.02 -0.21 120.40 126.12 1hkc s VAL 540 Ca -0.04 -1.27 -0.06 0.00 0.00 0.00 0.00 61.98 60.61 1hkc s VAL 540 Cb -0.01 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1hkc s VAL 540 CO -0.05 0.04 0.12 -0.76 0.00 0.00 0.00 175.10 174.44 1hkc s LEU 541 N -2.48 1.69 -0.12 3.92 1.02 -0.17 -2.69 118.68 119.85 1hkc s LEU 541 Ca 0.24 -0.41 0.03 0.00 0.02 0.00 0.00 54.13 54.02 1hkc s LEU 541 Cb -0.11 0.65 0.01 0.00 0.02 0.00 0.00 46.19 46.76 1hkc s LEU 541 CO 0.16 -0.46 -0.23 -0.22 0.02 0.00 0.00 176.35 175.62 1hkc s LEU 542 N -1.86 2.09 -0.18 1.79 2.96 -0.48 -1.71 118.68 121.28 1hkc s LEU 542 Ca -0.09 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.26 1hkc s LEU 542 Cb -0.04 -1.41 0.04 0.00 0.50 0.00 0.00 46.19 45.28 1hkc s LEU 542 CO -0.02 0.12 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.32 1hkc s VAL 543 N 0.59 1.58 -0.29 1.68 1.01 0.12 -1.52 120.40 123.56 1hkc s VAL 543 Ca -0.13 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 1hkc s VAL 543 Cb -0.17 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1hkc s VAL 543 CO 0.03 0.27 0.32 -0.54 0.00 0.00 0.00 175.10 175.18 1hkc s LYS 544 N 1.44 3.86 -0.18 2.72 1.02 0.57 -0.58 119.74 128.60 1hkc s LYS 544 Ca 0.01 -0.19 -0.02 0.00 0.02 0.00 0.00 55.97 55.79 1hkc s LYS 544 Cb -0.15 -3.70 -0.01 0.00 -0.52 0.00 0.00 37.83 33.45 1hkc s LYS 544 CO -0.09 -0.33 -0.09 0.42 -0.92 0.00 0.00 175.35 174.35 1hkc s ILE 545 N 1.98 3.17 -0.24 2.17 1.01 0.31 -1.94 121.20 127.67 1hkc s ILE 545 Ca 0.12 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1hkc s ILE 545 Cb -0.16 -2.40 0.05 0.00 0.01 0.00 0.00 42.46 39.96 1hkc s ILE 545 CO 0.11 0.47 -0.12 -0.13 0.00 0.00 0.00 174.94 175.26 1hkc s ARG 546 N 1.04 2.50 -0.39 2.79 1.81 -0.76 0.18 118.95 126.11 1hkc s ARG 546 Ca -0.00 -1.18 -0.06 0.00 -1.72 0.00 0.00 55.73 52.77 1hkc s ARG 546 Cb -0.15 -2.83 -0.17 0.00 -0.45 0.00 0.00 34.95 31.36 1hkc s ARG 546 CO -0.01 -0.46 3.33 -1.13 -0.68 0.00 0.00 175.30 176.35 1hkc n SER 547 N 4.51 6.13 -2.82 0.23 3.41 -1.19 -3.26 113.62 120.63 1hkc n SER 547 Ca -0.16 -2.64 -0.12 0.00 -0.26 0.00 0.00 58.87 55.69 1hkc n SER 547 Cb 0.45 -1.41 0.09 0.00 -0.26 0.00 0.00 64.21 63.08 1hkc n SER 547 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hkc n GLY 548 N 2.37 -1.58 0.32 5.00 0.00 -1.26 -4.91 105.19 105.13 1hkc n GLY 548 Ca 0.51 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.93 1hkc n GLY 548 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1hkc h LYS 549 N 0.00 0.77 -4.97 1.61 1.63 -2.01 -3.36 116.57 110.25 1hkc h LYS 549 Ca -0.18 -0.05 -0.65 0.00 -0.85 0.00 0.00 60.65 58.92 1hkc h LYS 549 Cb 0.50 -0.17 -0.25 0.00 -0.60 0.00 0.00 32.23 31.71 1hkc h LYS 549 CO 0.12 0.51 -0.66 0.21 -3.45 0.00 0.00 179.45 176.18 1hkc s LYS 550 N -6.01 3.54 0.04 1.90 2.47 -1.26 -5.06 119.74 115.36 1hkc s LYS 550 Ca -0.12 -0.54 -0.32 0.00 -1.56 0.00 0.00 55.97 53.43 1hkc s LYS 550 Cb 0.20 -3.21 -0.11 0.00 -1.46 0.00 0.00 37.83 33.26 1hkc s LYS 550 CO 0.79 -0.19 1.88 0.54 0.16 0.00 0.00 175.35 178.53 1hkc n ARG 551 N 4.88 2.61 -3.78 4.03 1.74 -1.26 -4.90 116.66 119.98 1hkc n ARG 551 Ca -0.17 0.96 -0.13 0.00 -0.77 0.00 0.00 57.85 57.74 1hkc n ARG 551 Cb 0.51 -2.85 -0.13 0.00 -1.02 0.00 0.00 32.46 28.97 1hkc n ARG 551 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1hkc s THR 552 N 3.61 -0.02 -0.06 0.55 -1.32 -1.20 -5.04 115.64 112.16 1hkc s THR 552 Ca 0.87 0.08 -0.02 0.00 -1.21 0.00 0.00 61.69 61.41 1hkc s THR 552 Cb -0.53 -0.25 0.04 0.00 -1.51 0.00 0.00 72.50 70.24 1hkc s THR 552 CO 0.43 0.03 0.11 0.54 -2.21 0.00 0.00 174.62 173.52 1hkc s VAL 553 N 0.62 -0.16 0.08 5.08 0.11 -1.26 -1.83 120.40 123.04 1hkc s VAL 553 Ca -0.04 0.36 0.08 0.00 -2.93 0.00 0.00 61.98 59.45 1hkc s VAL 553 Cb -0.06 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 1hkc s VAL 553 CO -0.03 0.15 -0.20 -1.83 -3.33 0.00 0.00 175.10 169.86 1hkc s GLU 554 N 2.04 1.85 0.10 1.54 -1.05 -0.82 -4.97 118.70 117.38 1hkc s GLU 554 Ca 0.02 -1.12 -0.13 0.00 -0.15 0.00 0.00 54.97 53.59 1hkc s GLU 554 Cb -0.12 -2.10 0.02 0.00 -0.44 0.00 0.00 34.13 31.49 1hkc s GLU 554 CO -0.04 0.50 0.32 0.00 0.95 0.00 0.00 175.26 176.99 1hkc s MET 555 N -1.75 0.95 0.11 -4.83 0.23 -1.26 -0.31 119.30 112.44 1hkc s MET 555 Ca 0.15 -0.74 0.03 0.00 -1.03 0.00 0.00 55.69 54.11 1hkc s MET 555 Cb -0.10 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.56 1hkc s MET 555 CO 0.07 -0.34 -0.09 -1.01 -2.03 0.00 0.00 175.02 171.62 1hkc s HIS 556 N -3.57 1.08 -0.23 3.16 3.76 -0.58 -5.00 115.29 113.91 1hkc s HIS 556 Ca 0.02 -0.77 -0.26 0.00 -0.15 0.00 0.00 55.06 53.90 1hkc s HIS 556 Cb 0.02 -0.58 0.10 0.00 1.11 0.00 0.00 32.58 33.23 1hkc s HIS 556 CO -0.10 -0.01 0.88 0.54 -0.85 0.00 0.00 174.74 175.19 1hkc s ASN 557 N -2.87 -0.57 0.09 1.40 4.22 -1.26 -1.38 114.94 114.56 1hkc s ASN 557 Ca 0.11 0.99 0.10 0.00 -2.14 0.00 0.00 52.86 51.92 1hkc s ASN 557 Cb 0.01 0.97 -0.03 0.00 1.28 0.00 0.00 41.25 43.48 1hkc s ASN 557 CO -0.01 -0.26 -0.26 -0.75 -2.04 0.00 0.00 177.10 173.78 1hkc s LYS 558 N -0.06 1.53 -0.13 3.55 2.20 -1.09 -5.00 119.74 120.73 1hkc s LYS 558 Ca -0.00 -1.20 -0.07 0.00 -0.36 0.00 0.00 55.97 54.34 1hkc s LYS 558 Cb -0.04 -1.84 -0.04 0.00 -1.51 0.00 0.00 37.83 34.40 1hkc s LYS 558 CO -0.01 0.46 0.13 0.42 -0.36 0.00 0.00 175.35 175.99 1hkc s ILE 559 N -0.94 5.40 0.08 5.43 1.01 -1.26 -2.43 121.20 128.49 1hkc s ILE 559 Ca 0.12 0.17 0.07 0.00 0.00 0.00 0.00 60.65 61.01 1hkc s ILE 559 Cb -0.10 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1hkc s ILE 559 CO 0.04 0.58 -0.18 -0.31 0.00 0.00 0.00 174.94 175.07 1hkc s TYR 560 N -0.75 1.59 0.18 3.97 1.51 0.39 -5.00 117.35 119.24 1hkc s TYR 560 Ca 0.13 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 55.81 1hkc s TYR 560 Cb -0.12 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 1hkc s TYR 560 CO 0.03 0.14 0.32 0.00 -1.11 0.00 0.00 175.55 174.92 1hkc s ALA 561 N -1.13 3.95 -0.28 3.71 0.00 -1.26 -1.32 121.76 125.43 1hkc s ALA 561 Ca 0.04 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1hkc s ALA 561 Cb -0.10 -1.77 0.07 0.00 0.00 0.00 0.00 23.12 21.33 1hkc s ALA 561 CO 0.03 0.42 -0.02 0.42 0.00 0.00 0.00 175.76 176.61 1hkc s ILE 562 N -1.84 1.82 0.15 0.00 1.01 0.14 -4.95 121.20 117.53 1hkc s ILE 562 Ca 0.35 -1.64 -0.34 0.00 0.00 0.00 0.00 60.65 59.01 1hkc s ILE 562 Cb -0.10 -2.14 -0.15 0.00 0.01 0.00 0.00 42.46 40.08 1hkc s ILE 562 CO 0.29 -0.27 1.38 -2.65 0.00 0.00 0.00 174.94 173.69 1hkc n PRO 563 N 4.52 1.59 -0.33 2.79 -0.02 -1.26 -4.63 135.00 137.66 1hkc n PRO 563 Ca -0.07 0.57 0.17 0.00 -2.02 0.00 0.00 63.50 62.15 1hkc n PRO 563 Cb 0.43 -2.22 0.37 0.00 -0.02 0.00 0.00 33.50 32.06 1hkc n PRO 563 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1hkc h ILE 564 N 3.23 0.45 -0.78 4.25 6.09 -1.98 1.48 117.51 130.25 1hkc h ILE 564 Ca -0.46 -0.15 0.22 0.00 -1.37 0.00 0.00 64.86 63.10 1hkc h ILE 564 Cb 1.30 -0.03 -0.04 0.00 0.47 0.00 0.00 36.82 38.53 1hkc h ILE 564 CO 0.79 0.08 0.56 -0.33 -3.07 0.00 0.00 178.15 176.18 1hkc h GLU 565 N 0.44 0.07 0.01 2.19 3.07 -1.92 0.24 114.58 118.68 1hkc h GLU 565 Ca 0.63 -0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 59.17 1hkc h GLU 565 Cb 1.26 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 29.10 1hkc h GLU 565 CO -0.53 0.04 -1.85 -0.89 -1.40 0.00 0.00 179.01 174.38 1hkc n ILE 566 N -4.34 1.58 -0.33 3.13 2.08 0.48 -3.08 119.36 118.88 1hkc n ILE 566 Ca 0.16 -0.80 -0.02 0.00 0.56 0.00 0.00 62.75 62.65 1hkc n ILE 566 Cb 0.81 -0.99 0.14 0.00 -0.75 0.00 0.00 39.64 38.85 1hkc n ILE 566 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 1hkc h MET 567 N 0.00 1.23 -0.94 0.38 2.86 0.20 0.75 114.93 119.42 1hkc h MET 567 Ca -0.34 -0.09 -0.61 0.00 -2.06 0.00 0.00 59.70 56.59 1hkc h MET 567 Cb 2.06 -0.27 -0.30 0.00 0.06 0.00 0.00 31.60 33.15 1hkc h MET 567 CO 0.07 0.84 0.60 1.04 1.06 0.00 0.00 176.91 180.52 1hkc n GLN 568 N -4.38 2.67 0.00 1.72 6.02 0.56 -0.66 117.38 123.31 1hkc n GLN 568 Ca 0.11 -3.33 0.00 0.00 -0.01 0.00 0.00 57.00 53.76 1hkc n GLN 568 Cb 0.04 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.05 1hkc n GLN 568 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hkc n GLY 569 N -0.95 1.42 1.02 1.08 0.00 0.26 -4.75 105.19 103.26 1hkc n GLY 569 Ca 0.59 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 45.06 1hkc n GLY 569 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hkc n THR 570 N 0.00 2.22 0.00 2.61 -2.24 -1.26 -2.25 114.28 113.36 1hkc n THR 570 Ca 0.00 -1.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.06 1hkc n THR 570 Cb 0.00 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1hkc n THR 570 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hkc n GLY 571 N -0.23 1.11 0.07 3.38 0.00 -1.19 -4.32 105.19 104.01 1hkc n GLY 571 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 1hkc n GLY 571 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1hkc h GLU 572 N 0.06 0.00 0.11 1.61 4.81 -1.92 -3.11 114.58 116.15 1hkc h GLU 572 Ca 0.00 -0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 1hkc h GLU 572 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1hkc h GLU 572 CO 0.00 0.67 -1.49 0.93 -0.73 0.00 0.00 179.01 178.39 1hkc h GLU 573 N 0.00 0.24 0.06 1.92 5.08 -1.94 -2.77 114.58 117.17 1hkc h GLU 573 Ca -0.19 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1hkc h GLU 573 Cb 1.93 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.32 1hkc h GLU 573 CO 0.10 1.10 -0.07 1.25 -1.00 0.00 0.00 179.01 180.39 1hkc h LEU 574 N 0.06 -0.20 -0.10 1.33 5.85 -1.79 0.23 115.31 120.70 1hkc h LEU 574 Ca -0.22 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1hkc h LEU 574 Cb 2.00 0.07 0.00 0.00 0.37 0.00 0.00 40.66 43.11 1hkc h LEU 574 CO 0.16 -0.12 0.00 0.49 -0.34 0.00 0.00 178.44 178.64 1hkc n PHE 575 N -5.19 0.83 0.08 1.25 3.01 -1.18 -1.61 117.46 114.66 1hkc n PHE 575 Ca -0.07 0.25 -0.19 0.00 1.01 0.00 0.00 57.45 58.45 1hkc n PHE 575 Cb 0.12 -0.91 -0.11 0.00 -0.01 0.00 0.00 39.48 38.56 1hkc n PHE 575 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1hkc h ASP 576 N 0.00 0.76 -0.23 4.37 3.32 -1.09 -2.73 116.42 120.82 1hkc h ASP 576 Ca 0.00 -0.68 -0.07 0.00 0.02 0.00 0.00 57.03 56.30 1hkc h ASP 576 Cb 0.66 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1hkc h ASP 576 CO 0.00 1.49 -0.13 -0.74 -1.72 0.00 0.00 179.24 178.14 1hkc h HIS 577 N 0.26 0.57 -0.43 4.55 2.76 -0.31 -2.49 115.15 120.06 1hkc h HIS 577 Ca -0.15 -0.15 0.02 0.00 -2.20 0.00 0.00 60.37 57.88 1hkc h HIS 577 Cb 1.83 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 30.63 1hkc h HIS 577 CO 0.10 0.78 0.26 0.82 -1.30 0.00 0.00 177.93 178.59 1hkc h ILE 578 N 0.20 1.06 0.00 6.26 2.04 -1.36 -0.56 117.51 125.15 1hkc h ILE 578 Ca 0.05 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1hkc h ILE 578 Cb 0.64 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1hkc h ILE 578 CO 0.04 0.10 -0.09 0.58 0.00 0.00 0.00 178.15 178.77 1hkc h VAL 579 N 0.53 0.39 -0.27 1.67 2.07 -1.48 -0.94 116.25 118.21 1hkc h VAL 579 Ca 0.17 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 1hkc h VAL 579 Cb -0.01 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1hkc h VAL 579 CO -0.07 0.09 -0.29 -1.28 0.02 0.00 0.00 177.57 176.04 1hkc h SER 580 N 0.00 0.72 -0.52 0.57 0.87 -0.67 -0.55 113.55 113.98 1hkc h SER 580 Ca -0.00 -0.48 -0.08 0.00 -1.23 0.00 0.00 61.79 60.00 1hkc h SER 580 Cb 0.35 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1hkc h SER 580 CO 0.01 1.06 0.02 0.00 -0.53 0.00 0.00 176.83 177.38 1hkc h ILE 582 N 0.77 1.22 -0.30 0.00 2.04 -1.12 -0.58 117.51 119.54 1hkc h ILE 582 Ca 0.15 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 1hkc h ILE 582 Cb 0.50 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1hkc h ILE 582 CO 0.02 0.30 -0.03 -1.28 0.00 0.00 0.00 178.15 177.16 1hkc h SER 583 N 0.80 0.44 0.20 1.72 0.87 -0.67 -1.72 113.55 115.19 1hkc h SER 583 Ca 0.18 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1hkc h SER 583 Cb 0.28 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1hkc h SER 583 CO -0.00 0.53 -0.10 -0.78 -0.53 0.00 0.00 176.83 175.95 1hkc h ASP 584 N 0.45 -0.23 -0.53 6.23 3.58 -0.51 -3.21 116.42 122.19 1hkc h ASP 584 Ca 0.10 -0.29 0.11 0.00 0.42 0.00 0.00 57.03 57.36 1hkc h ASP 584 Cb 0.34 0.06 -0.09 0.00 1.72 0.00 0.00 39.33 41.36 1hkc h ASP 584 CO 0.01 0.24 -0.06 0.15 -2.88 0.00 0.00 179.24 176.70 1hkc h PHE 585 N -0.78 -0.14 -0.78 0.28 3.57 -0.91 0.98 116.94 119.15 1hkc h PHE 585 Ca -0.03 0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.65 1hkc h PHE 585 Cb 0.51 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 1hkc h PHE 585 CO 0.06 -0.18 0.52 -0.07 -2.23 0.00 0.00 178.31 176.41 1hkc h LEU 586 N 0.06 0.48 -0.05 0.59 3.38 -1.39 0.23 115.31 118.62 1hkc h LEU 586 Ca 0.27 0.02 -0.25 0.00 0.09 0.00 0.00 57.88 58.01 1hkc h LEU 586 Cb 0.41 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1hkc h LEU 586 CO -0.49 0.26 -1.05 0.44 0.09 0.00 0.00 178.44 177.68 1hkc h ASP 587 N 0.52 0.69 -0.91 -0.43 3.32 -1.03 0.12 116.42 118.71 1hkc h ASP 587 Ca 0.38 -0.58 0.08 0.00 0.02 0.00 0.00 57.03 56.93 1hkc h ASP 587 Cb 0.75 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 1hkc h ASP 587 CO -0.14 1.39 0.59 0.22 -1.72 0.00 0.00 179.24 179.58 1hkc h TYR 588 N 0.27 1.01 -0.05 4.55 3.20 0.16 0.16 116.97 126.27 1hkc h TYR 588 Ca -0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1hkc h TYR 588 Cb 1.71 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.65 1hkc h TYR 588 CO 0.08 0.49 0.00 -1.33 -1.64 0.00 0.00 178.16 175.76 1hkc n MET 589 N -4.52 1.80 -2.84 1.82 2.81 0.44 -4.95 117.12 111.68 1hkc n MET 589 Ca 0.15 -1.17 -0.22 0.00 -1.81 0.00 0.00 57.70 54.65 1hkc n MET 589 Cb 0.26 -1.47 0.02 0.00 -0.71 0.00 0.00 33.22 31.33 1hkc n MET 589 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hkc n GLY 590 N 1.21 -0.52 0.03 3.03 0.00 0.55 -4.91 105.19 104.58 1hkc n GLY 590 Ca 0.18 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.32 1hkc n GLY 590 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1hkc n ILE 591 N -4.37 1.13 -1.82 -0.61 -5.35 0.37 -5.00 119.36 103.70 1hkc n ILE 591 Ca -0.15 -1.22 -0.38 0.00 -0.27 0.00 0.00 62.75 60.72 1hkc n ILE 591 Cb 0.64 0.35 0.04 0.00 -1.74 0.00 0.00 39.64 38.93 1hkc n ILE 591 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1hkc s LYS 592 N -1.37 3.21 0.00 6.28 2.20 -1.14 -4.35 119.74 124.57 1hkc s LYS 592 Ca 0.08 2.21 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 1hkc s LYS 592 Cb 0.07 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 34.10 1hkc s LYS 592 CO 0.01 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.28 1hkc n GLY 593 N 0.70 1.47 3.63 5.54 0.00 -1.26 -5.07 105.19 110.20 1hkc n GLY 593 Ca 0.10 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1hkc n GLY 593 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hkc s PRO 594 N 0.00 0.55 -0.74 1.61 0.04 -1.26 -4.76 135.00 130.44 1hkc s PRO 594 Ca 0.00 1.22 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 1hkc s PRO 594 Cb 0.00 -1.70 0.11 0.00 0.04 0.00 0.00 34.50 32.95 1hkc s PRO 594 CO 0.00 -2.84 0.93 0.50 0.04 0.00 0.00 177.00 175.63 1hkc s ARG 595 N -4.65 3.28 0.27 4.56 3.52 -1.26 -4.70 118.95 119.97 1hkc s ARG 595 Ca 0.66 -1.38 -0.04 0.00 -0.13 0.00 0.00 55.73 54.84 1hkc s ARG 595 Cb -0.22 -4.48 -0.05 0.00 -1.56 0.00 0.00 34.95 28.64 1hkc s ARG 595 CO 0.60 -1.69 0.52 -1.64 -0.81 0.00 0.00 175.30 172.27 1hkc s MET 596 N 2.99 3.62 0.30 5.12 -1.94 -1.25 -4.77 119.30 123.37 1hkc s MET 596 Ca 0.22 -0.04 -0.25 0.00 -1.71 0.00 0.00 55.69 53.91 1hkc s MET 596 Cb -0.15 -2.68 -0.10 0.00 2.01 0.00 0.00 34.83 33.91 1hkc s MET 596 CO 0.01 0.26 0.90 -1.25 -0.01 0.00 0.00 175.02 174.93 1hkc s PRO 597 N -3.45 4.51 -0.01 2.03 0.05 -1.26 -1.29 135.00 135.57 1hkc s PRO 597 Ca 0.43 1.23 0.00 0.00 0.05 0.00 0.00 61.00 62.71 1hkc s PRO 597 Cb -0.11 -2.80 0.02 0.00 0.05 0.00 0.00 34.50 31.66 1hkc s PRO 597 CO 0.29 0.30 0.01 -1.17 0.05 0.00 0.00 177.00 176.48 1hkc s LEU 598 N -2.06 1.44 -0.12 -3.56 0.20 -1.14 -1.17 118.68 112.27 1hkc s LEU 598 Ca 0.49 0.00 -0.06 0.00 0.69 0.00 0.00 54.13 55.25 1hkc s LEU 598 Cb -0.18 -0.09 -0.04 0.00 -0.43 0.00 0.00 46.19 45.45 1hkc s LEU 598 CO 0.23 -0.07 0.12 -0.83 -0.29 0.00 0.00 176.35 175.51 1hkc s GLY 599 N 0.66 2.12 -0.34 7.98 0.00 -0.26 -1.51 107.32 115.97 1hkc s GLY 599 Ca -0.06 -0.66 0.02 0.00 0.00 0.00 0.00 44.72 44.02 1hkc s GLY 599 CO -0.02 -0.40 0.05 -0.12 0.00 0.00 0.00 173.10 172.61 1hkc s PHE 600 N -1.01 3.62 -0.39 1.90 5.36 0.18 -0.96 117.98 126.68 1hkc s PHE 600 Ca 0.15 -2.70 -0.25 0.00 -0.96 0.00 0.00 56.93 53.17 1hkc s PHE 600 Cb -0.12 -2.76 0.02 0.00 -0.34 0.00 0.00 43.02 39.82 1hkc s PHE 600 CO 0.04 -0.93 0.89 0.99 -1.46 0.00 0.00 175.22 174.75 1hkc s THR 601 N 1.00 4.59 -0.48 0.12 2.01 0.13 0.20 115.64 123.21 1hkc s THR 601 Ca 0.06 1.00 -0.02 0.00 0.31 0.00 0.00 61.69 63.03 1hkc s THR 601 Cb -0.20 -4.33 0.13 0.00 0.01 0.00 0.00 72.50 68.11 1hkc s THR 601 CO -0.06 -0.59 0.28 0.12 -0.69 0.00 0.00 174.62 173.68 1hkc s PHE 602 N 3.45 3.52 -0.44 4.92 5.36 -0.76 -1.25 117.98 132.78 1hkc s PHE 602 Ca 0.36 -2.57 -0.05 0.00 -0.96 0.00 0.00 56.93 53.71 1hkc s PHE 602 Cb -0.12 -3.19 -0.09 0.00 -0.34 0.00 0.00 43.02 39.28 1hkc s PHE 602 CO 0.20 -0.92 3.13 0.43 -1.46 0.00 0.00 175.22 176.60 1hkc n SER 603 N 4.16 6.28 -4.26 6.13 7.64 -0.25 -4.83 113.62 128.49 1hkc n SER 603 Ca 0.02 -2.82 -0.14 0.00 1.01 0.00 0.00 58.87 56.93 1hkc n SER 603 Cb 0.40 -1.36 -0.10 0.00 -1.01 0.00 0.00 64.21 62.14 1hkc n SER 603 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1hkc s PHE 604 N -0.12 1.29 -0.75 1.43 0.08 -1.26 -4.84 117.98 113.82 1hkc s PHE 604 Ca 0.63 -0.85 -0.24 0.00 0.12 0.00 0.00 56.93 56.59 1hkc s PHE 604 Cb 0.32 -0.70 -0.16 0.00 -0.57 0.00 0.00 43.02 41.91 1hkc s PHE 604 CO -0.10 -0.01 2.42 -2.30 -0.10 0.00 0.00 175.22 175.13 1hkc n PRO 605 N -0.24 0.57 -4.44 0.24 -0.02 -1.26 -4.91 135.00 124.95 1hkc n PRO 605 Ca -0.09 -0.34 -0.25 0.00 -2.02 0.00 0.00 63.50 60.80 1hkc n PRO 605 Cb 0.62 -2.96 -0.09 0.00 -0.02 0.00 0.00 33.50 31.04 1hkc n PRO 605 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hkc s GLN 607 N -3.64 1.03 0.01 0.00 0.74 -0.13 -4.89 119.66 112.78 1hkc s GLN 607 Ca 0.33 -0.57 -0.30 0.00 0.05 0.00 0.00 55.36 54.86 1hkc s GLN 607 Cb -0.00 -2.19 -0.03 0.00 1.10 0.00 0.00 33.01 31.88 1hkc s GLN 607 CO 0.18 -0.59 1.03 -1.14 -0.55 0.00 0.00 175.29 174.22 1hkc s GLN 608 N 1.70 4.53 0.00 1.67 0.74 -1.26 -1.57 119.66 125.47 1hkc s GLN 608 Ca -0.02 1.49 0.07 0.00 0.05 0.00 0.00 55.36 56.96 1hkc s GLN 608 Cb -0.17 -3.44 0.02 0.00 1.10 0.00 0.00 33.01 30.51 1hkc s GLN 608 CO -0.07 -0.11 0.59 0.25 -0.55 0.00 0.00 175.29 175.40 1hkc n THR 609 N 3.95 0.00 -3.61 -0.34 -2.24 -0.99 -4.83 114.28 106.22 1hkc n THR 609 Ca 0.07 -0.45 -0.01 0.00 -2.27 0.00 0.00 64.05 61.40 1hkc n THR 609 Cb 0.50 1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 69.82 1hkc n THR 609 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hkc s SER 610 N -0.97 -0.04 0.40 3.42 0.15 -1.21 -4.95 113.70 110.49 1hkc s SER 610 Ca 0.07 -0.03 0.10 0.00 0.70 0.00 0.00 55.95 56.79 1hkc s SER 610 Cb 0.06 0.07 0.89 0.00 -1.71 0.00 0.00 66.02 65.33 1hkc s SER 610 CO 0.16 -0.12 1.97 0.25 1.20 0.00 0.00 173.24 176.70 1hkc h LEU 611 N 2.00 0.51 -3.44 3.45 5.85 -1.86 -2.56 115.31 119.27 1hkc h LEU 611 Ca -0.16 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.41 1hkc h LEU 611 Cb 1.16 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 1hkc h LEU 611 CO 0.24 0.31 0.07 -0.90 -0.34 0.00 0.00 178.44 177.82 1hkc n ASP 612 N -4.48 3.38 -3.77 1.25 5.75 -1.26 -1.35 116.55 116.07 1hkc n ASP 612 Ca 0.10 -3.44 -0.13 0.00 -0.01 0.00 0.00 54.79 51.32 1hkc n ASP 612 Cb 0.31 -0.64 -0.13 0.00 -1.03 0.00 0.00 41.12 39.63 1hkc n ASP 612 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hkc s ALA 613 N -3.08 -0.48 -0.22 2.12 0.00 -0.97 -4.73 121.76 114.40 1hkc s ALA 613 Ca 0.46 0.74 -0.08 0.00 0.00 0.00 0.00 51.96 53.08 1hkc s ALA 613 Cb 0.40 -0.46 0.09 0.00 0.00 0.00 0.00 23.12 23.15 1hkc s ALA 613 CO 0.06 -0.14 0.48 0.20 0.00 0.00 0.00 175.76 176.35 1hkc s GLY 614 N 0.70 -0.44 0.10 0.00 0.00 -1.26 -2.35 107.32 104.07 1hkc s GLY 614 Ca -0.05 1.72 -0.24 0.00 0.00 0.00 0.00 44.72 46.16 1hkc s GLY 614 CO -0.04 2.42 0.72 -0.42 0.00 0.00 0.00 173.10 175.79 1hkc s ILE 615 N 2.42 4.58 -0.24 0.90 1.09 -0.61 -1.97 121.20 127.38 1hkc s ILE 615 Ca -0.04 1.56 -0.25 0.00 -1.10 0.00 0.00 60.65 60.82 1hkc s ILE 615 Cb -0.11 -4.08 -0.00 0.00 -1.06 0.00 0.00 42.46 37.21 1hkc s ILE 615 CO -0.14 0.47 0.85 -0.22 -0.10 0.00 0.00 174.94 175.80 1hkc s LEU 616 N -0.74 4.09 0.18 2.97 2.96 -0.95 -0.96 118.68 126.24 1hkc s LEU 616 Ca 0.35 1.07 0.19 0.00 -0.22 0.00 0.00 54.13 55.53 1hkc s LEU 616 Cb -0.21 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 43.25 1hkc s LEU 616 CO 0.23 -0.52 1.07 0.16 -1.32 0.00 0.00 176.35 175.97 1hkc h ILE 617 N 5.41 0.29 -1.15 6.68 3.07 -0.92 0.28 117.51 131.17 1hkc h ILE 617 Ca -0.23 -1.52 0.18 0.00 1.55 0.00 0.00 64.86 64.85 1hkc h ILE 617 Cb 1.09 1.86 -0.31 0.00 -0.27 0.00 0.00 36.82 39.20 1hkc h ILE 617 CO 0.88 0.16 0.83 0.28 -1.05 0.00 0.00 178.15 179.26 1hkc s THR 618 N -3.14 0.00 0.55 0.16 -1.32 -1.22 -4.84 115.64 105.82 1hkc s THR 618 Ca -0.00 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.32 1hkc s THR 618 Cb 0.09 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 70.01 1hkc s THR 618 CO 0.78 0.00 1.01 0.26 -2.21 0.00 0.00 174.62 174.46 1hkc s TRP 619 N -0.25 3.29 0.35 9.09 0.23 -1.26 -4.00 118.94 126.38 1hkc s TRP 619 Ca 0.07 1.48 -0.05 0.00 -2.03 0.00 0.00 56.10 55.57 1hkc s TRP 619 Cb -0.04 -2.87 0.01 0.00 0.03 0.00 0.00 33.47 30.60 1hkc s TRP 619 CO -0.12 -0.65 0.53 0.95 0.96 0.00 0.00 176.95 178.61 1hkc s THR 620 N -2.57 0.00 -1.36 2.01 -4.23 -1.26 -4.94 115.64 103.29 1hkc s THR 620 Ca 0.61 -1.49 -0.08 0.00 -1.18 0.00 0.00 61.69 59.55 1hkc s THR 620 Cb -0.12 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.11 1hkc s THR 620 CO 0.34 0.00 0.52 0.29 -0.54 0.00 0.00 174.62 175.23 1hkc n LYS 621 N -0.55 -3.85 -0.28 3.99 5.02 -1.26 -2.12 118.16 119.10 1hkc n LYS 621 Ca -0.01 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1hkc n LYS 621 Cb 0.61 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 30.27 1hkc n LYS 621 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hkc n GLY 622 N -1.28 1.47 3.75 0.72 0.00 -1.26 -4.83 105.19 103.77 1hkc n GLY 622 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1hkc n GLY 622 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hkc s PHE 623 N -2.94 3.64 0.00 1.61 0.40 -0.90 -4.68 117.98 115.11 1hkc s PHE 623 Ca 0.00 1.70 0.00 0.00 -0.60 0.00 0.00 56.93 58.03 1hkc s PHE 623 Cb 0.00 -3.24 0.00 0.00 0.51 0.00 0.00 43.02 40.29 1hkc s PHE 623 CO 0.00 -0.43 0.52 1.63 0.70 0.00 0.00 175.22 177.64 1hkc n LYS 624 N 1.52 0.00 -1.53 0.44 5.02 -0.53 -4.36 118.16 118.73 1hkc n LYS 624 Ca -0.00 -0.52 -0.52 0.00 -2.02 0.00 0.00 58.31 55.24 1hkc n LYS 624 Cb 0.45 -0.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.94 1hkc n LYS 624 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hkc n ALA 625 N 0.00 -2.00 -2.00 7.82 0.00 0.16 -4.68 120.51 119.81 1hkc n ALA 625 Ca 0.00 0.51 -0.32 0.00 0.00 0.00 0.00 53.44 53.64 1hkc n ALA 625 Cb 0.52 -1.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.03 1hkc n ALA 625 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1hkc s THR 626 N -0.13 4.62 -1.27 0.00 -4.23 -0.95 -4.29 115.64 109.39 1hkc s THR 626 Ca 0.79 1.01 -0.02 0.00 -1.18 0.00 0.00 61.69 62.30 1hkc s THR 626 Cb -1.01 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 69.15 1hkc s THR 626 CO 0.53 -0.51 0.94 0.47 -0.54 0.00 0.00 174.62 175.52 1hkc n ASP 627 N -1.18 -2.56 0.00 3.99 8.00 -1.26 -3.16 116.55 120.38 1hkc n ASP 627 Ca 0.05 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1hkc n ASP 627 Cb 0.54 -4.76 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 1hkc n ASP 627 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hkc n VAL 629 N -2.54 0.36 0.00 0.00 0.31 -1.26 -0.47 118.33 114.73 1hkc n VAL 629 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1hkc n VAL 629 Cb 0.36 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1hkc n VAL 629 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hkc n GLY 630 N 4.11 2.69 3.95 2.92 0.00 0.98 -4.96 105.19 114.88 1hkc n GLY 630 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1hkc n GLY 630 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hkc s HIS 631 N -2.31 3.31 -0.48 1.61 4.02 0.38 -4.77 115.29 117.06 1hkc s HIS 631 Ca 0.00 0.25 -0.23 0.00 1.02 0.00 0.00 55.06 56.10 1hkc s HIS 631 Cb 0.00 -2.15 0.03 0.00 -1.02 0.00 0.00 32.58 29.44 1hkc s HIS 631 CO 0.00 -0.17 0.80 0.34 1.02 0.00 0.00 174.74 176.72 1hkc s ASP 632 N -4.15 6.37 0.32 1.40 2.15 -1.26 -2.24 116.67 119.26 1hkc s ASP 632 Ca 0.45 -0.27 0.09 0.00 0.43 0.00 0.00 52.55 53.25 1hkc s ASP 632 Cb -0.10 -2.38 0.90 0.00 -0.30 0.00 0.00 42.92 41.03 1hkc s ASP 632 CO 0.37 -0.98 1.71 -0.37 -0.17 0.00 0.00 175.17 175.72 1hkc h VAL 633 N 5.97 0.47 -0.24 1.11 -1.51 -1.71 0.14 116.25 120.48 1hkc h VAL 633 Ca -0.25 -0.17 -0.04 0.00 -1.23 0.00 0.00 66.70 65.01 1hkc h VAL 633 Cb 1.08 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 1hkc h VAL 633 CO 0.99 0.09 -0.02 0.58 -1.23 0.00 0.00 177.57 177.98 1hkc h VAL 634 N 0.48 1.16 -0.16 7.19 2.07 -1.85 -1.11 116.25 124.04 1hkc h VAL 634 Ca 0.65 -0.63 -0.22 0.00 0.82 0.00 0.00 66.70 67.32 1hkc h VAL 634 Cb 1.29 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1hkc h VAL 634 CO -0.52 0.21 -0.75 0.74 0.02 0.00 0.00 177.57 177.27 1hkc h THR 635 N 0.35 1.29 -0.92 2.57 2.02 -1.06 -0.41 112.91 116.75 1hkc h THR 635 Ca 0.08 -1.97 0.04 0.00 0.77 0.00 0.00 66.41 65.34 1hkc h THR 635 Cb 0.26 1.96 -0.06 0.00 -1.74 0.00 0.00 68.15 68.58 1hkc h THR 635 CO 0.01 0.62 0.60 -0.07 0.37 0.00 0.00 175.52 177.05 1hkc h LEU 636 N 0.53 0.97 -0.07 2.58 3.38 -0.71 0.24 115.31 122.23 1hkc h LEU 636 Ca -0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1hkc h LEU 636 Cb 1.38 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1hkc h LEU 636 CO 0.15 0.65 -0.12 0.25 0.09 0.00 0.00 178.44 179.46 1hkc h LEU 637 N 1.12 0.24 -1.23 1.67 5.85 -1.04 -2.06 115.31 119.85 1hkc h LEU 637 Ca 0.37 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1hkc h LEU 637 Cb 0.07 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1hkc h LEU 637 CO -0.12 0.74 0.52 0.03 -0.34 0.00 0.00 178.44 179.26 1hkc h ARG 638 N -0.26 1.02 -0.59 1.25 3.08 -0.70 -0.36 114.38 117.82 1hkc h ARG 638 Ca 0.01 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1hkc h ARG 638 Cb 0.69 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1hkc h ARG 638 CO 0.03 0.67 0.07 -0.44 -1.07 0.00 0.00 179.97 179.23 1hkc h ASP 639 N 1.05 0.94 0.05 7.04 5.19 -0.46 -2.28 116.42 127.95 1hkc h ASP 639 Ca 0.29 -0.22 -0.15 0.00 -0.62 0.00 0.00 57.03 56.33 1hkc h ASP 639 Cb -0.10 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.15 1hkc h ASP 639 CO -0.07 0.96 -0.52 0.00 -3.12 0.00 0.00 179.24 176.49 1hkc h ALA 640 N 1.15 0.76 -0.08 3.45 0.00 -0.58 -2.15 119.26 121.81 1hkc h ALA 640 Ca 0.18 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1hkc h ALA 640 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1hkc h ALA 640 CO 0.01 0.68 0.04 0.82 0.00 0.00 0.00 179.25 180.81 1hkc h ILE 641 N 0.40 1.09 -0.26 0.00 2.04 -0.85 -2.72 117.51 117.21 1hkc h ILE 641 Ca 0.01 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1hkc h ILE 641 Cb 1.05 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1hkc h ILE 641 CO 0.10 0.08 -0.02 0.50 0.00 0.00 0.00 178.15 178.80 1hkc h LYS 642 N 0.03 0.39 0.00 2.37 3.64 -1.39 -2.10 116.57 119.51 1hkc h LYS 642 Ca 0.03 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1hkc h LYS 642 Cb 0.09 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1hkc h LYS 642 CO -0.00 0.43 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.45 1hkc h ARG 643 N 0.38 0.00 0.20 1.90 2.43 -1.07 -2.73 114.38 115.48 1hkc h ARG 643 Ca 0.08 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.93 1hkc h ARG 643 Cb 0.29 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1hkc h ARG 643 CO 0.01 0.07 -1.52 -0.09 -1.51 0.00 0.00 179.97 176.92 1hkc h ARG 644 N 0.00 0.42 -0.17 0.20 2.43 -1.22 -3.48 114.38 112.55 1hkc h ARG 644 Ca -0.00 -0.71 -0.07 0.00 -0.81 0.00 0.00 59.98 58.38 1hkc h ARG 644 Cb 0.12 0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1hkc h ARG 644 CO 0.01 1.33 -0.07 0.39 -1.51 0.00 0.00 179.97 180.12 1hkc n GLU 645 N -3.61 -1.91 0.10 0.20 1.02 -1.03 -4.80 120.64 110.60 1hkc n GLU 645 Ca -0.17 0.62 -0.15 0.00 -0.02 0.00 0.00 57.16 57.44 1hkc n GLU 645 Cb 1.08 -5.10 -0.14 0.00 -0.02 0.00 0.00 31.44 27.26 1hkc n GLU 645 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1hkc h GLU 646 N 0.00 0.25 -3.15 3.49 4.81 -1.90 -3.48 114.58 114.60 1hkc h GLU 646 Ca -0.07 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1hkc h GLU 646 Cb 1.06 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1hkc h GLU 646 CO 0.11 1.19 0.18 -0.59 -0.73 0.00 0.00 179.01 179.17 1hkc s PHE 647 N -2.66 0.09 0.01 0.92 -0.71 -1.26 -4.96 117.98 109.41 1hkc s PHE 647 Ca -0.04 -0.62 0.03 0.00 -1.04 0.00 0.00 56.93 55.26 1hkc s PHE 647 Cb 0.07 0.66 -0.01 0.00 -1.21 0.00 0.00 43.02 42.53 1hkc s PHE 647 CO 0.88 -1.35 -0.09 0.34 -1.34 0.00 0.00 175.22 173.66 1hkc s ASP 648 N -3.02 0.99 0.25 1.98 2.15 -1.26 -4.77 116.67 112.99 1hkc s ASP 648 Ca 0.15 -0.27 0.07 0.00 0.43 0.00 0.00 52.55 52.93 1hkc s ASP 648 Cb -0.05 -0.07 -0.05 0.00 -0.30 0.00 0.00 42.92 42.45 1hkc s ASP 648 CO 0.10 0.02 -0.08 -0.76 -0.17 0.00 0.00 175.17 174.28 1hkc s LEU 649 N -0.63 2.47 -0.78 -1.34 1.43 -1.26 -3.88 118.68 114.69 1hkc s LEU 649 Ca -0.00 -1.14 0.03 0.00 -1.03 0.00 0.00 54.13 51.99 1hkc s LEU 649 Cb -0.05 -0.60 0.21 0.00 0.03 0.00 0.00 46.19 45.78 1hkc s LEU 649 CO 0.00 -0.31 0.69 -0.67 0.23 0.00 0.00 176.35 176.29 1hkc n ASP 650 N -0.49 3.72 -4.54 2.29 2.03 -0.41 -4.93 116.55 114.21 1hkc n ASP 650 Ca -0.06 -3.24 -0.38 0.00 0.52 0.00 0.00 54.79 51.62 1hkc n ASP 650 Cb 0.62 -0.86 -0.05 0.00 -0.72 0.00 0.00 41.12 40.11 1hkc n ASP 650 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1hkc n VAL 651 N 1.83 -0.02 0.16 5.18 0.31 -1.26 -2.90 118.33 121.63 1hkc n VAL 651 Ca 0.23 -0.63 0.12 0.00 -0.01 0.00 0.00 64.34 64.05 1hkc n VAL 651 Cb 0.37 -2.38 0.09 0.00 -0.91 0.00 0.00 33.84 31.00 1hkc n VAL 651 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1hkc h VAL 652 N 7.67 0.00 -1.80 2.52 2.07 -1.65 -3.48 116.25 121.60 1hkc h VAL 652 Ca -0.23 -1.01 0.10 0.00 0.82 0.00 0.00 66.70 66.39 1hkc h VAL 652 Cb 1.28 1.76 -0.20 0.00 -1.52 0.00 0.00 31.29 32.61 1hkc h VAL 652 CO 1.17 0.00 0.55 0.00 0.02 0.00 0.00 177.57 179.31 1hkc s ALA 653 N -3.28 -1.91 -0.15 1.67 0.00 -1.22 -4.36 121.76 112.51 1hkc s ALA 653 Ca 0.03 1.40 -0.03 0.00 0.00 0.00 0.00 51.96 53.37 1hkc s ALA 653 Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1hkc s ALA 653 CO 0.73 -0.46 -0.07 0.54 0.00 0.00 0.00 175.76 176.51 1hkc s VAL 654 N -1.87 3.63 0.09 0.00 0.11 -0.45 0.49 120.40 122.39 1hkc s VAL 654 Ca 0.01 -0.45 0.10 0.00 -2.93 0.00 0.00 61.98 58.71 1hkc s VAL 654 Cb -0.01 -2.57 -0.03 0.00 -1.53 0.00 0.00 36.38 32.24 1hkc s VAL 654 CO -0.02 0.50 -0.26 -0.69 -3.33 0.00 0.00 175.10 171.30 1hkc s VAL 655 N 0.36 2.10 -0.21 2.04 1.01 0.53 -4.88 120.40 121.36 1hkc s VAL 655 Ca -0.06 -1.55 -0.10 0.00 0.00 0.00 0.00 61.98 60.27 1hkc s VAL 655 Cb -0.15 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 1hkc s VAL 655 CO 0.04 0.19 0.13 0.21 0.00 0.00 0.00 175.10 175.66 1hkc s ASN 656 N -1.66 6.10 0.56 3.32 3.84 -1.26 -1.83 114.94 124.01 1hkc s ASN 656 Ca 0.12 0.18 0.26 0.00 0.21 0.00 0.00 52.86 53.63 1hkc s ASN 656 Cb -0.10 -2.07 1.52 0.00 -0.55 0.00 0.00 41.25 40.04 1hkc s ASN 656 CO 0.04 0.15 2.05 -2.24 -2.79 0.00 0.00 177.10 174.31 1hkc h ASP 657 N 6.87 0.00 -0.18 -4.21 2.03 -1.91 -0.23 116.42 118.80 1hkc h ASP 657 Ca -0.40 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 55.82 1hkc h ASP 657 Cb 1.16 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1hkc h ASP 657 CO 0.73 0.00 -0.21 0.74 -1.03 0.00 0.00 179.24 179.46 1hkc h THR 658 N 0.00 1.34 -0.61 1.15 2.02 -1.94 -0.59 112.91 114.27 1hkc h THR 658 Ca 0.14 -1.40 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 1hkc h THR 658 Cb 0.69 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 1hkc h THR 658 CO -0.00 0.42 0.20 0.58 0.37 0.00 0.00 175.52 177.09 1hkc h VAL 659 N 0.10 1.23 -0.31 3.16 2.07 -1.61 -1.55 116.25 119.34 1hkc h VAL 659 Ca 0.02 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1hkc h VAL 659 Cb 0.77 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1hkc h VAL 659 CO 0.05 0.30 -0.01 1.23 0.02 0.00 0.00 177.57 179.16 1hkc h GLY 660 N 1.01 0.50 1.26 2.17 0.00 -0.85 -2.13 103.07 105.03 1hkc h GLY 660 Ca 0.20 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 1hkc h GLY 660 CO -0.01 0.27 -0.11 -0.84 0.00 0.00 0.00 176.54 175.85 1hkc h THR 661 N 0.45 1.26 -0.00 4.70 2.02 -0.10 -1.07 112.91 120.18 1hkc h THR 661 Ca 0.10 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 1hkc h THR 661 Cb 0.31 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1hkc h THR 661 CO 0.01 0.42 -0.00 -0.03 0.37 0.00 0.00 175.52 176.28 1hkc h MET 662 N 0.78 0.01 -0.39 6.66 1.85 -1.10 -2.59 114.93 120.15 1hkc h MET 662 Ca 0.13 -0.01 0.08 0.00 -0.61 0.00 0.00 59.70 59.29 1hkc h MET 662 Cb 0.62 0.00 -0.08 0.00 0.43 0.00 0.00 31.60 32.57 1hkc h MET 662 CO 0.04 0.50 -0.14 0.52 -0.40 0.00 0.00 176.91 177.43 1hkc h MET 663 N -0.48 -0.06 -0.99 0.39 2.86 -1.33 0.56 114.93 115.88 1hkc h MET 663 Ca 0.00 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.81 1hkc h MET 663 Cb 0.50 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.08 1hkc h MET 663 CO 0.00 -0.04 0.62 1.15 1.06 0.00 0.00 176.91 179.70 1hkc h THR 664 N -0.06 0.77 0.01 2.22 2.02 -1.20 -1.12 112.91 115.56 1hkc h THR 664 Ca 0.19 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 66.96 1hkc h THR 664 Cb 0.35 -0.10 0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1hkc h THR 664 CO -0.44 0.15 -0.53 0.00 0.37 0.00 0.00 175.52 175.07 1hkc h ALA 666 N 0.27 1.68 -1.01 0.00 0.00 0.58 -0.33 119.26 120.45 1hkc h ALA 666 Ca -0.07 0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.14 1hkc h ALA 666 Cb 1.27 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1hkc h ALA 666 CO 0.10 0.11 0.59 -0.92 0.00 0.00 0.00 179.25 179.13 1hkc h TYR 667 N 0.84 0.95 0.00 0.00 3.20 -1.29 -3.08 116.97 117.60 1hkc h TYR 667 Ca 0.43 0.04 -0.29 0.00 3.14 0.00 0.00 58.73 62.05 1hkc h TYR 667 Cb 0.50 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1hkc h TYR 667 CO -0.00 -0.08 -1.83 0.39 -1.64 0.00 0.00 178.16 175.00 1hkc n GLU 668 N -4.97 0.56 -3.27 1.82 1.02 -0.71 -4.82 120.64 110.28 1hkc n GLU 668 Ca 0.30 0.32 -0.46 0.00 -0.02 0.00 0.00 57.16 57.30 1hkc n GLU 668 Cb 0.90 -1.53 -0.05 0.00 -0.02 0.00 0.00 31.44 30.73 1hkc n GLU 668 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1hkc s GLU 669 N -2.56 3.06 0.44 3.49 2.56 -0.22 -4.95 118.70 120.53 1hkc s GLU 669 Ca -0.33 -1.69 0.30 0.00 0.00 0.00 0.00 54.97 53.24 1hkc s GLU 669 Cb 0.10 -4.31 1.61 0.00 2.00 0.00 0.00 34.13 33.52 1hkc s GLU 669 CO 0.47 -1.38 1.91 -1.00 -0.56 0.00 0.00 175.26 174.71 1hkc h PRO 670 N 8.86 0.00 -0.18 4.30 0.13 -1.82 -2.13 132.00 141.15 1hkc h PRO 670 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1hkc h PRO 670 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1hkc h PRO 670 CO 1.03 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 179.05 1hkc n THR 671 N -2.55 0.24 -2.89 1.56 -2.24 -1.26 -4.85 114.28 102.29 1hkc n THR 671 Ca -0.02 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 1hkc n THR 671 Cb 0.05 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.48 1hkc n THR 671 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hkc n GLU 673 N 5.16 0.00 -3.75 0.00 1.02 -1.15 -4.69 120.64 117.23 1hkc n GLU 673 Ca 0.04 -0.76 -0.14 0.00 -0.02 0.00 0.00 57.16 56.28 1hkc n GLU 673 Cb 0.49 -0.43 -0.14 0.00 -0.02 0.00 0.00 31.44 31.33 1hkc n GLU 673 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1hkc s VAL 674 N 0.00 -0.05 0.15 2.62 1.01 -1.25 -1.21 120.40 121.66 1hkc s VAL 674 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.24 1hkc s VAL 674 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1hkc s VAL 674 CO 0.00 0.07 -0.17 -0.83 0.00 0.00 0.00 175.10 174.17 1hkc s GLY 675 N 1.09 1.71 -0.10 4.51 0.00 -0.29 -0.71 107.32 113.53 1hkc s GLY 675 Ca -0.09 -1.43 -0.08 0.00 0.00 0.00 0.00 44.72 43.13 1hkc s GLY 675 CO -0.05 -1.43 0.26 -2.27 0.00 0.00 0.00 173.10 169.61 1hkc s LEU 676 N -2.41 0.81 -0.12 0.66 2.96 0.54 -1.59 118.68 119.53 1hkc s LEU 676 Ca 0.20 0.54 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 1hkc s LEU 676 Cb -0.10 0.86 0.01 0.00 0.50 0.00 0.00 46.19 47.47 1hkc s LEU 676 CO 0.11 -0.11 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.21 1hkc s ILE 677 N 0.48 1.80 -0.35 6.68 -1.09 0.03 -1.88 121.20 126.87 1hkc s ILE 677 Ca -0.03 -0.83 -0.00 0.00 -2.23 0.00 0.00 60.65 57.56 1hkc s ILE 677 Cb -0.04 -1.61 0.12 0.00 -1.58 0.00 0.00 42.46 39.34 1hkc s ILE 677 CO -0.02 0.50 0.15 -0.69 -1.23 0.00 0.00 174.94 173.65 1hkc s VAL 678 N 0.83 0.84 0.00 2.92 1.01 -0.36 -2.23 120.40 123.41 1hkc s VAL 678 Ca -0.08 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.20 1hkc s VAL 678 Cb -0.16 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1hkc s VAL 678 CO -0.01 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 174.92 1hkc n GLY 679 N 4.42 3.94 0.23 4.51 0.00 -1.26 -2.75 105.19 114.27 1hkc n GLY 679 Ca 0.02 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 1hkc n GLY 679 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1hkc h THR 680 N 0.00 1.30 -4.87 2.61 1.35 -1.94 0.40 112.91 111.76 1hkc h THR 680 Ca 0.00 -1.53 -0.56 0.00 -0.55 0.00 0.00 66.41 63.77 1hkc h THR 680 Cb 0.00 1.52 -0.11 0.00 -1.73 0.00 0.00 68.15 67.83 1hkc h THR 680 CO 0.00 0.49 -0.43 0.61 -0.25 0.00 0.00 175.52 175.94 1hkc n GLY 681 N -0.06 3.52 3.11 5.82 0.00 -1.26 -3.12 105.19 113.20 1hkc n GLY 681 Ca -0.01 -2.26 -0.12 0.00 0.00 0.00 0.00 46.02 43.62 1hkc n GLY 681 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hkc s SER 682 N -3.41 -0.19 0.24 1.61 0.15 -1.26 -4.19 113.70 106.65 1hkc s SER 682 Ca 0.07 0.33 -0.20 0.00 0.70 0.00 0.00 55.95 56.86 1hkc s SER 682 Cb 0.00 0.40 0.03 0.00 -1.71 0.00 0.00 66.02 64.74 1hkc s SER 682 CO 0.05 -0.13 0.63 0.21 1.20 0.00 0.00 173.24 175.20 1hkc s ASN 683 N -0.15 -0.28 0.01 5.45 2.47 -0.95 -4.25 114.94 117.24 1hkc s ASN 683 Ca -0.03 -0.54 -0.20 0.00 0.42 0.00 0.00 52.86 52.52 1hkc s ASN 683 Cb -0.02 0.66 0.04 0.00 -1.45 0.00 0.00 41.25 40.48 1hkc s ASN 683 CO 0.01 -1.21 0.45 0.00 -3.72 0.00 0.00 177.10 172.62 1hkc s ALA 684 N -3.90 -1.13 0.10 1.71 0.00 -1.26 -0.79 121.76 116.49 1hkc s ALA 684 Ca 0.11 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 1hkc s ALA 684 Cb -0.04 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1hkc s ALA 684 CO 0.02 -0.38 0.04 0.00 0.00 0.00 0.00 175.76 175.44 1hkc s TYR 686 N -3.98 -0.47 -0.22 0.00 1.13 -1.10 -1.13 117.35 111.58 1hkc s TYR 686 Ca 0.15 0.63 -0.29 0.00 -1.41 0.00 0.00 57.07 56.15 1hkc s TYR 686 Cb 0.07 0.48 -0.02 0.00 -1.10 0.00 0.00 41.96 41.39 1hkc s TYR 686 CO -0.04 -0.53 1.45 -1.64 -2.51 0.00 0.00 175.55 172.27 1hkc s MET 687 N -1.98 3.97 0.26 -3.49 -1.94 -0.35 -1.53 119.30 114.24 1hkc s MET 687 Ca -0.02 1.59 0.07 0.00 -1.71 0.00 0.00 55.69 55.61 1hkc s MET 687 Cb -0.01 -3.92 -0.03 0.00 2.01 0.00 0.00 34.83 32.88 1hkc s MET 687 CO -0.01 -1.06 0.22 -2.00 -0.01 0.00 0.00 175.02 172.16 1hkc s GLU 688 N 4.19 2.97 -0.10 2.03 2.56 -0.19 -4.91 118.70 125.26 1hkc s GLU 688 Ca 0.63 -1.04 -0.25 0.00 0.00 0.00 0.00 54.97 54.31 1hkc s GLU 688 Cb -0.23 -2.60 -0.03 0.00 2.00 0.00 0.00 34.13 33.28 1hkc s GLU 688 CO 0.24 0.38 0.81 -1.21 -0.56 0.00 0.00 175.26 174.92 1hkc s GLU 689 N -3.87 4.39 0.36 4.30 0.41 -1.26 -1.09 118.70 121.94 1hkc s GLU 689 Ca 0.34 1.03 0.12 0.00 -0.41 0.00 0.00 54.97 56.05 1hkc s GLU 689 Cb -0.08 -3.51 0.92 0.00 -1.78 0.00 0.00 34.13 29.69 1hkc s GLU 689 CO 0.26 -0.13 1.80 0.52 -0.49 0.00 0.00 175.26 177.22 1hkc h MET 690 N 7.02 0.56 -0.10 1.61 2.86 -1.66 0.46 114.93 125.67 1hkc h MET 690 Ca -0.36 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.28 1hkc h MET 690 Cb 1.17 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1hkc h MET 690 CO 0.79 0.37 0.18 1.57 1.06 0.00 0.00 176.91 180.88 1hkc h LYS 691 N 0.58 0.00 0.00 1.72 2.10 -1.75 -1.19 116.57 118.02 1hkc h LYS 691 Ca 0.55 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 59.00 1hkc h LYS 691 Cb 1.10 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.40 1hkc h LYS 691 CO -0.30 0.00 -1.45 -0.91 -2.00 0.00 0.00 179.45 174.79 1hkc h ASN 692 N 0.00 0.00 -0.37 7.07 2.35 -0.44 -3.41 115.58 120.77 1hkc h ASN 692 Ca 0.05 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.17 1hkc h ASN 692 Cb 0.41 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1hkc h ASN 692 CO -0.00 0.67 2.34 0.52 -1.65 0.00 0.00 177.43 179.31 1hkc n VAL 693 N -2.93 3.10 0.20 2.81 0.31 -0.45 -4.61 118.33 116.76 1hkc n VAL 693 Ca -0.11 -2.99 0.11 0.00 -0.01 0.00 0.00 64.34 61.34 1hkc n VAL 693 Cb 0.88 -2.40 0.58 0.00 -0.91 0.00 0.00 33.84 31.99 1hkc n VAL 693 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1hkc h GLU 694 N 7.46 0.00 0.00 5.55 5.08 -1.78 -1.63 114.58 129.26 1hkc h GLU 694 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1hkc h GLU 694 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1hkc h GLU 694 CO 1.65 0.00 -0.16 -1.33 -1.00 0.00 0.00 179.01 178.17 1hkc n MET 695 N -2.33 0.19 -4.25 2.33 2.81 -1.26 -4.71 117.12 109.90 1hkc n MET 695 Ca -0.01 0.13 -0.28 0.00 -1.81 0.00 0.00 57.70 55.73 1hkc n MET 695 Cb 0.21 -1.69 -0.17 0.00 -0.71 0.00 0.00 33.22 30.86 1hkc n MET 695 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1hkc s VAL 696 N -3.08 1.32 0.24 2.03 1.01 -0.61 -5.11 120.40 116.19 1hkc s VAL 696 Ca 0.11 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 1hkc s VAL 696 Cb 0.14 -1.24 -0.12 0.00 0.00 0.00 0.00 36.38 35.16 1hkc s VAL 696 CO 0.61 0.41 1.63 -0.62 0.00 0.00 0.00 175.10 177.13 1hkc n GLU 697 N 4.43 2.62 0.00 2.72 1.02 -1.26 -4.81 120.64 125.36 1hkc n GLU 697 Ca -0.18 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 1hkc n GLU 697 Cb 0.51 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.19 1hkc n GLU 697 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hkc n GLY 698 N 2.98 3.25 1.18 0.62 0.00 -1.26 -4.99 105.19 106.97 1hkc n GLY 698 Ca 0.12 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.27 1hkc n GLY 698 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hkc n ASP 699 N 0.00 3.51 -4.74 1.61 8.00 -1.26 -4.34 116.55 119.32 1hkc n ASP 699 Ca 0.00 -1.99 -0.35 0.00 0.71 0.00 0.00 54.79 53.16 1hkc n ASP 699 Cb 0.00 -0.30 -0.08 0.00 -0.02 0.00 0.00 41.12 40.72 1hkc n ASP 699 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1hkc s GLN 700 N -1.41 3.10 1.03 -1.24 -1.52 -1.26 -3.57 119.66 114.79 1hkc s GLN 700 Ca 0.41 -0.35 0.00 0.00 -1.95 0.00 0.00 55.36 53.47 1hkc s GLN 700 Cb 0.23 -2.90 0.00 0.00 -0.22 0.00 0.00 33.01 30.12 1hkc s GLN 700 CO 0.32 0.72 0.00 0.41 -0.25 0.00 0.00 175.29 176.49 1hkc n GLY 701 N 1.99 -1.77 3.55 3.09 0.00 -1.26 -4.76 105.19 106.03 1hkc n GLY 701 Ca -0.18 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 1hkc n GLY 701 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hkc s GLN 702 N 0.00 1.92 -0.26 1.61 -0.21 -1.26 -1.99 119.66 119.47 1hkc s GLN 702 Ca 0.00 -2.17 -0.09 0.00 0.02 0.00 0.00 55.36 53.12 1hkc s GLN 702 Cb 0.00 -0.85 0.11 0.00 1.00 0.00 0.00 33.01 33.27 1hkc s GLN 702 CO 0.00 -0.39 0.56 1.41 -2.12 0.00 0.00 175.29 174.75 1hkc s MET 703 N -3.78 0.49 -0.06 2.91 -2.45 -0.25 -4.52 119.30 111.65 1hkc s MET 703 Ca 0.23 1.26 -0.30 0.00 -1.25 0.00 0.00 55.69 55.64 1hkc s MET 703 Cb 0.04 0.59 -0.04 0.00 1.25 0.00 0.00 34.83 36.66 1hkc s MET 703 CO 0.13 -0.21 1.39 0.00 1.05 0.00 0.00 175.02 177.37 1hkc s ILE 705 N 2.97 5.39 -0.60 0.00 -1.09 -0.58 -1.37 121.20 125.92 1hkc s ILE 705 Ca 0.62 0.34 -0.12 0.00 -2.23 0.00 0.00 60.65 59.27 1hkc s ILE 705 Cb -0.28 -3.49 0.15 0.00 -1.58 0.00 0.00 42.46 37.26 1hkc s ILE 705 CO 0.23 0.55 0.51 0.21 -1.23 0.00 0.00 174.94 175.22 1hkc s ASN 706 N -0.60 6.08 0.20 3.58 2.47 0.23 -2.72 114.94 124.18 1hkc s ASN 706 Ca 0.15 -2.19 -0.10 0.00 0.42 0.00 0.00 52.86 51.14 1hkc s ASN 706 Cb -0.13 -2.11 0.20 0.00 -1.45 0.00 0.00 41.25 37.77 1hkc s ASN 706 CO 0.04 -0.68 1.81 0.24 -3.72 0.00 0.00 177.10 174.79 1hkc h MET 707 N 8.25 0.64 -5.33 0.43 2.86 -1.74 -0.79 114.93 119.26 1hkc h MET 707 Ca -0.13 -0.04 -0.35 0.00 -2.06 0.00 0.00 59.70 57.12 1hkc h MET 707 Cb 1.06 -0.14 0.13 0.00 0.06 0.00 0.00 31.60 32.70 1hkc h MET 707 CO 0.87 0.42 -0.61 0.39 1.06 0.00 0.00 176.91 179.04 1hkc n GLU 708 N -4.79 -7.08 0.00 1.72 -0.58 -1.26 -2.29 120.64 106.35 1hkc n GLU 708 Ca 0.07 0.74 0.02 0.00 -0.42 0.00 0.00 57.16 57.57 1hkc n GLU 708 Cb 0.15 -5.53 0.10 0.00 -0.57 0.00 0.00 31.44 25.59 1hkc n GLU 708 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1hkc n TRP 709 N -4.69 0.00 0.31 -0.32 4.27 -1.26 -2.97 117.44 112.77 1hkc n TRP 709 Ca -0.01 0.00 0.20 0.00 -3.89 0.00 0.00 57.50 53.80 1hkc n TRP 709 Cb 0.56 -0.24 0.97 0.00 -1.36 0.00 0.00 31.31 31.24 1hkc n TRP 709 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1hkc h GLY 710 N 0.64 0.00 0.74 -1.67 0.00 -1.89 -1.75 103.07 99.14 1hkc h GLY 710 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hkc h GLY 710 CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.51 1hkc n ALA 711 N -2.11 2.67 -1.68 3.60 0.00 -1.16 -2.42 120.51 119.41 1hkc n ALA 711 Ca -0.02 -0.26 -0.45 0.00 0.00 0.00 0.00 53.44 52.71 1hkc n ALA 711 Cb 0.18 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.19 1hkc n ALA 711 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1hkc n PHE 712 N -0.78 2.43 -0.09 0.00 7.35 -0.66 -0.77 117.46 124.94 1hkc n PHE 712 Ca 0.20 0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.99 1hkc n PHE 712 Cb 0.22 -2.62 0.00 0.00 0.35 0.00 0.00 39.48 37.42 1hkc n PHE 712 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1hkc n GLY 713 N 3.83 0.60 0.00 7.13 0.00 -1.26 -1.80 105.19 113.68 1hkc n GLY 713 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1hkc n GLY 713 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hkc n ASP 714 N 0.00 0.00 -0.68 1.61 9.92 0.05 -1.55 116.55 125.90 1hkc n ASP 714 Ca 0.00 0.15 0.08 0.00 -0.53 0.00 0.00 54.79 54.50 1hkc n ASP 714 Cb 0.00 -0.33 0.22 0.00 -0.64 0.00 0.00 41.12 40.37 1hkc n ASP 714 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1hkc n ASN 715 N -1.33 3.44 0.00 -2.24 6.94 -1.26 -4.94 115.26 115.87 1hkc n ASN 715 Ca 0.06 -2.89 0.00 0.00 -0.02 0.00 0.00 54.58 51.73 1hkc n ASN 715 Cb 0.13 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 1hkc n ASN 715 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hkc n GLY 716 N -0.57 1.18 0.00 4.83 0.00 -0.59 -4.94 105.19 105.09 1hkc n GLY 716 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1hkc n GLY 716 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hkc n LEU 718 N -1.14 1.09 0.14 0.00 4.77 -1.26 -4.70 117.00 115.90 1hkc n LEU 718 Ca 0.06 -0.97 0.07 0.00 -0.03 0.00 0.00 56.01 55.14 1hkc n LEU 718 Cb 0.05 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.54 1hkc n LEU 718 CO 0.06 0.25 0.77 0.47 -1.33 0.00 0.00 177.39 177.61 1hkc n ASP 719 N 0.04 0.38 0.01 -1.43 8.00 -0.19 -0.56 116.55 122.80 1hkc n ASP 719 Ca 0.01 0.61 0.11 0.00 0.71 0.00 0.00 54.79 56.24 1hkc n ASP 719 Cb 0.04 -0.62 0.07 0.00 -0.02 0.00 0.00 41.12 40.59 1hkc n ASP 719 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1hkc n ASP 720 N -2.03 0.66 -0.29 -2.24 5.68 -1.26 -4.09 116.55 112.97 1hkc n ASP 720 Ca -0.01 -0.37 0.05 0.00 -0.50 0.00 0.00 54.79 53.96 1hkc n ASP 720 Cb 0.17 0.66 0.01 0.00 -1.14 0.00 0.00 41.12 40.82 1hkc n ASP 720 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1hkc n ILE 721 N -1.73 0.00 -3.08 2.12 -5.35 0.28 -4.99 119.36 106.61 1hkc n ILE 721 Ca 0.03 -0.42 -0.36 0.00 -0.27 0.00 0.00 62.75 61.74 1hkc n ILE 721 Cb 0.39 1.15 -0.06 0.00 -1.74 0.00 0.00 39.64 39.38 1hkc n ILE 721 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1hkc s ARG 722 N -1.30 4.27 0.51 6.28 0.52 -0.90 -5.01 118.95 123.33 1hkc s ARG 722 Ca 0.10 0.90 0.08 0.00 -0.52 0.00 0.00 55.73 56.28 1hkc s ARG 722 Cb 0.09 -2.85 0.09 0.00 0.52 0.00 0.00 34.95 32.79 1hkc s ARG 722 CO 0.24 0.37 0.71 0.25 0.02 0.00 0.00 175.30 176.89 1hkc n THR 723 N 0.66 0.00 -0.09 0.02 -2.24 -1.26 -4.94 114.28 106.43 1hkc n THR 723 Ca -0.02 -1.65 -0.03 0.00 -2.27 0.00 0.00 64.05 60.09 1hkc n THR 723 Cb 0.51 -0.61 0.21 0.00 -2.10 0.00 0.00 70.33 68.34 1hkc n THR 723 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1hkc h HIS 724 N 0.03 0.78 0.00 4.78 2.76 -1.99 -0.90 115.15 120.61 1hkc h HIS 724 Ca -0.24 -0.08 -0.11 0.00 -2.20 0.00 0.00 60.37 57.74 1hkc h HIS 724 Cb 1.08 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.80 1hkc h HIS 724 CO 0.00 0.69 -0.51 1.88 -1.30 0.00 0.00 177.93 178.69 1hkc h TYR 725 N 0.71 0.00 -0.31 5.26 0.05 -1.95 -1.29 116.97 119.44 1hkc h TYR 725 Ca 0.15 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.80 1hkc h TYR 725 Cb 0.34 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 1hkc h TYR 725 CO 0.02 0.51 -0.33 -0.44 -1.05 0.00 0.00 178.16 176.87 1hkc h ASP 726 N 0.00 0.83 -0.30 3.88 3.32 -1.78 -2.20 116.42 120.18 1hkc h ASP 726 Ca -0.01 -0.48 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 1hkc h ASP 726 Cb 1.25 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1hkc h ASP 726 CO 0.07 1.14 0.08 0.03 -1.72 0.00 0.00 179.24 178.83 1hkc h ARG 727 N 0.54 0.47 -0.27 3.56 3.08 -1.02 -2.11 114.38 118.63 1hkc h ARG 727 Ca 0.05 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.03 1hkc h ARG 727 Cb 0.91 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 1hkc h ARG 727 CO 0.08 0.54 0.04 -0.07 -1.07 0.00 0.00 179.97 179.49 1hkc h LEU 728 N 0.31 -0.02 -1.07 3.04 3.38 -1.20 0.36 115.31 120.12 1hkc h LEU 728 Ca 0.09 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.22 1hkc h LEU 728 Cb 0.28 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1hkc h LEU 728 CO 0.00 0.02 0.62 0.58 0.09 0.00 0.00 178.44 179.75 1hkc h VAL 729 N 0.13 0.95 0.11 1.22 2.07 -1.30 0.70 116.25 120.13 1hkc h VAL 729 Ca 0.12 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1hkc h VAL 729 Cb 0.14 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1hkc h VAL 729 CO -0.18 0.18 -0.05 -1.13 0.02 0.00 0.00 177.57 176.41 1hkc h ASN 730 N 0.97 -0.13 -0.83 0.57 -1.24 -0.57 -1.86 115.58 112.49 1hkc h ASN 730 Ca 0.47 -0.38 0.20 0.00 0.71 0.00 0.00 56.30 57.30 1hkc h ASN 730 Cb 0.45 0.03 -0.12 0.00 0.73 0.00 0.00 38.32 39.41 1hkc h ASN 730 CO -0.23 0.34 0.28 -0.08 -1.29 0.00 0.00 177.43 176.46 1hkc h GLU 731 N -0.64 0.32 -0.18 6.67 4.81 0.50 0.12 114.58 126.18 1hkc h GLU 731 Ca -0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1hkc h GLU 731 Cb 0.50 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1hkc h GLU 731 CO 0.03 0.21 0.00 0.66 -0.73 0.00 0.00 179.01 179.18 1hkc n TYR 732 N -5.11 0.22 -1.84 0.92 4.01 0.16 -4.88 117.16 110.64 1hkc n TYR 732 Ca 0.19 -0.11 -0.31 0.00 -0.16 0.00 0.00 57.90 57.51 1hkc n TYR 732 Cb 0.57 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.64 1hkc n TYR 732 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1hkc s SER 733 N -1.63 5.76 0.43 7.72 1.04 0.41 -4.97 113.70 122.46 1hkc s SER 733 Ca 0.34 1.30 0.23 0.00 0.48 0.00 0.00 55.95 58.30 1hkc s SER 733 Cb 0.19 -2.22 0.88 0.00 0.10 0.00 0.00 66.02 64.97 1hkc s SER 733 CO 0.28 -1.16 1.81 -0.07 0.98 0.00 0.00 173.24 175.09 1hkc h LEU 734 N -0.52 0.00 -4.76 2.42 -0.00 -1.90 -3.27 115.31 107.28 1hkc h LEU 734 Ca -0.45 0.00 -0.60 0.00 -0.00 0.00 0.00 57.88 56.83 1hkc h LEU 734 Cb 1.22 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 41.47 1hkc h LEU 734 CO 0.62 0.25 -0.58 -0.46 -0.00 0.00 0.00 178.44 178.28 1hkc n ASN 735 N -3.44 4.87 -4.46 -0.43 0.23 -1.26 -5.08 115.26 105.69 1hkc n ASN 735 Ca -0.00 -3.72 -0.48 0.00 -0.53 0.00 0.00 54.58 49.85 1hkc n ASN 735 Cb 0.44 -0.53 -0.03 0.00 -2.08 0.00 0.00 39.78 37.58 1hkc n ASN 735 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hkc n ALA 736 N -0.42 -2.23 -0.22 -2.53 0.00 -1.23 -0.92 120.51 112.95 1hkc n ALA 736 Ca 0.38 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.27 1hkc n ALA 736 Cb 0.57 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1hkc n ALA 736 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hkc n GLY 737 N 1.79 2.24 3.50 0.00 0.00 -1.26 -4.99 105.19 106.46 1hkc n GLY 737 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1hkc n GLY 737 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hkc s LYS 738 N -0.03 1.80 -1.39 1.61 -0.14 -0.10 -4.72 119.74 116.77 1hkc s LYS 738 Ca 0.00 -1.42 -0.09 0.00 -1.36 0.00 0.00 55.97 53.09 1hkc s LYS 738 Cb 0.00 -1.99 0.02 0.00 -1.68 0.00 0.00 37.83 34.18 1hkc s LYS 738 CO 0.00 0.41 1.13 1.04 -0.76 0.00 0.00 175.35 177.17 1hkc n GLN 739 N 0.07 -7.50 -0.19 1.68 1.13 -1.26 -4.91 117.38 106.40 1hkc n GLN 739 Ca -0.11 0.80 -0.04 0.00 -1.94 0.00 0.00 57.00 55.72 1hkc n GLN 739 Cb 0.56 -5.83 0.06 0.00 0.11 0.00 0.00 30.24 25.14 1hkc n GLN 739 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1hkc h ARG 740 N -2.56 0.56 0.03 -1.09 -0.00 -1.75 -1.67 114.38 107.90 1hkc h ARG 740 Ca -0.57 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 58.88 1hkc h ARG 740 Cb 1.37 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 31.21 1hkc h ARG 740 CO 0.58 0.37 -0.01 -0.92 0.00 0.00 0.00 179.97 179.98 1hkc h TYR 741 N 0.58 -0.03 0.00 3.04 3.20 -1.24 -2.60 116.97 119.92 1hkc h TYR 741 Ca 0.24 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1hkc h TYR 741 Cb 0.13 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1hkc h TYR 741 CO -0.09 0.21 0.00 1.49 -1.64 0.00 0.00 178.16 178.13 1hkc h GLU 742 N -0.27 0.00 0.00 1.82 4.81 -1.32 -1.37 114.58 118.25 1hkc h GLU 742 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1hkc h GLU 742 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1hkc h GLU 742 CO 0.01 0.00 -0.18 0.87 -0.73 0.00 0.00 179.01 178.97 1hkc h LYS 743 N 0.00 0.00 -0.20 1.92 1.57 -0.90 -0.34 116.57 118.62 1hkc h LYS 743 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hkc h LYS 743 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1hkc h LYS 743 CO 0.00 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.55 1hkc n MET 744 N -2.38 1.98 0.00 3.15 2.81 -0.52 -4.54 117.12 117.61 1hkc n MET 744 Ca 0.05 -1.87 0.00 0.00 -1.81 0.00 0.00 57.70 54.06 1hkc n MET 744 Cb 0.45 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 1hkc n MET 744 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1hkc n ILE 745 N 1.10 0.00 -2.51 2.02 5.41 -1.16 -4.22 119.36 119.99 1hkc n ILE 745 Ca 0.14 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.55 1hkc n ILE 745 Cb 0.49 -0.23 -0.04 0.00 -0.71 0.00 0.00 39.64 39.16 1hkc n ILE 745 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1hkc s SER 746 N -1.45 6.47 0.00 4.38 0.01 -0.14 -4.93 113.70 118.04 1hkc s SER 746 Ca 0.00 1.78 0.15 0.00 1.31 0.00 0.00 55.95 59.19 1hkc s SER 746 Cb 0.00 -2.54 0.70 0.00 0.21 0.00 0.00 66.02 64.39 1hkc s SER 746 CO 0.00 -0.69 1.46 0.61 0.41 0.00 0.00 173.24 175.02 1hkc n GLY 747 N -0.71 -0.91 0.21 3.44 0.00 0.14 -2.33 105.19 105.03 1hkc n GLY 747 Ca 0.08 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1hkc n GLY 747 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1hkc h MET 748 N 0.00 0.00 0.00 1.61 -1.53 -1.69 -3.38 114.93 109.94 1hkc h MET 748 Ca 0.00 0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 56.18 1hkc h MET 748 Cb 0.20 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.24 1hkc h MET 748 CO 0.00 0.00 -1.30 0.66 0.14 0.00 0.00 176.91 176.41 1hkc n TYR 749 N -3.04 0.00 -0.33 1.39 4.01 -0.98 -4.71 117.16 113.50 1hkc n TYR 749 Ca 0.04 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.82 1hkc n TYR 749 Cb 0.53 -0.22 0.12 0.00 -0.31 0.00 0.00 39.34 39.46 1hkc n TYR 749 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1hkc h LEU 750 N 0.00 -0.90 -1.49 7.72 3.38 -1.65 0.82 115.31 123.19 1hkc h LEU 750 Ca -0.12 0.28 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1hkc h LEU 750 Cb 1.26 0.58 -0.03 0.00 0.09 0.00 0.00 40.66 42.57 1hkc h LEU 750 CO 0.00 -0.30 0.37 1.23 0.09 0.00 0.00 178.44 179.83 1hkc h GLY 751 N -0.00 0.75 2.00 0.83 0.00 -1.79 -1.84 103.07 103.01 1hkc h GLY 751 Ca 0.43 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 1hkc h GLY 751 CO -0.95 0.24 -0.49 0.83 0.00 0.00 0.00 176.54 176.17 1hkc h GLU 752 N 0.67 0.00 -0.14 4.80 4.39 0.34 0.73 114.58 125.36 1hkc h GLU 752 Ca 0.22 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.83 1hkc h GLU 752 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1hkc h GLU 752 CO -0.06 0.49 -0.28 0.82 -1.16 0.00 0.00 179.01 178.82 1hkc h ILE 753 N 0.00 1.37 0.37 3.13 2.04 -0.70 -2.08 117.51 121.63 1hkc h ILE 753 Ca -0.00 -1.55 -0.02 0.00 1.00 0.00 0.00 64.86 64.29 1hkc h ILE 753 Cb 0.92 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1hkc h ILE 753 CO 0.06 0.46 -0.20 0.58 0.00 0.00 0.00 178.15 179.06 1hkc h VAL 754 N 0.04 0.60 -0.89 1.67 2.07 -0.91 -2.19 116.25 116.63 1hkc h VAL 754 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1hkc h VAL 754 Cb 0.88 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1hkc h VAL 754 CO 0.06 0.00 0.58 -0.09 0.02 0.00 0.00 177.57 178.14 1hkc h ARG 755 N -0.52 0.97 0.00 1.57 2.43 0.41 -0.93 114.38 118.30 1hkc h ARG 755 Ca -0.05 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1hkc h ARG 755 Cb 0.41 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1hkc h ARG 755 CO 0.07 0.64 -0.11 -0.91 -1.51 0.00 0.00 179.97 178.15 1hkc h ASN 756 N 1.00 0.00 0.10 -3.80 2.35 -1.07 -1.75 115.58 112.40 1hkc h ASN 756 Ca 0.39 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.99 1hkc h ASN 756 Cb 0.23 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.62 1hkc h ASN 756 CO -0.15 0.11 -0.63 0.40 -1.65 0.00 0.00 177.43 175.51 1hkc h ILE 757 N 0.00 1.56 -0.40 2.81 2.04 -0.58 -3.09 117.51 119.85 1hkc h ILE 757 Ca -0.00 -2.43 0.05 0.00 1.00 0.00 0.00 64.86 63.48 1hkc h ILE 757 Cb 0.61 3.16 -0.05 0.00 -0.74 0.00 0.00 36.82 39.80 1hkc h ILE 757 CO 0.01 0.68 0.12 -0.07 0.00 0.00 0.00 178.15 178.89 1hkc h LEU 758 N -0.46 0.09 -0.41 1.44 3.38 -1.07 0.71 115.31 119.00 1hkc h LEU 758 Ca -0.11 0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1hkc h LEU 758 Cb 1.47 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.21 1hkc h LEU 758 CO 0.12 0.09 0.03 0.40 0.09 0.00 0.00 178.44 179.17 1hkc h ILE 759 N 0.26 0.73 0.10 1.22 2.04 -1.42 0.58 117.51 121.02 1hkc h ILE 759 Ca 0.19 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 66.02 1hkc h ILE 759 Cb 0.20 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1hkc h ILE 759 CO -0.21 0.03 -0.28 -0.78 0.00 0.00 0.00 178.15 176.90 1hkc h ASP 760 N 0.15 -0.81 -0.75 1.72 1.82 -1.20 -0.33 116.42 117.03 1hkc h ASP 760 Ca 0.20 0.10 0.02 0.00 -0.39 0.00 0.00 57.03 56.95 1hkc h ASP 760 Cb 0.27 0.31 -0.04 0.00 0.68 0.00 0.00 39.33 40.55 1hkc h ASP 760 CO -0.30 -0.37 0.50 -0.26 -1.61 0.00 0.00 179.24 177.19 1hkc h PHE 761 N -0.49 0.92 -0.72 0.28 -1.00 -0.07 -1.15 116.94 114.71 1hkc h PHE 761 Ca 0.03 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.84 1hkc h PHE 761 Cb 0.52 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 1hkc h PHE 761 CO -0.26 0.56 0.44 1.15 -1.61 0.00 0.00 178.31 178.59 1hkc h THR 762 N 0.97 1.20 -0.33 -1.55 2.02 0.98 0.14 112.91 116.34 1hkc h THR 762 Ca 0.28 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1hkc h THR 762 Cb -0.05 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1hkc h THR 762 CO -0.07 0.20 0.12 0.11 0.37 0.00 0.00 175.52 176.25 1hkc h LYS 763 N 0.97 0.51 0.00 6.66 1.57 -0.07 0.55 116.57 126.77 1hkc h LYS 763 Ca 0.26 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1hkc h LYS 763 Cb -0.05 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1hkc h LYS 763 CO -0.05 0.53 0.00 1.63 -0.57 0.00 0.00 179.45 180.99 1hkc n LYS 764 N -4.68 0.12 -2.75 3.15 5.02 -0.53 -4.86 118.16 113.63 1hkc n LYS 764 Ca -0.01 0.21 -0.06 0.00 -2.02 0.00 0.00 58.31 56.42 1hkc n LYS 764 Cb 0.16 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.69 1hkc n LYS 764 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hkc n GLY 765 N -0.26 0.55 0.37 0.72 0.00 0.18 -4.96 105.19 101.78 1hkc n GLY 765 Ca 0.05 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.70 1hkc n GLY 765 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hkc n PHE 766 N -3.20 0.00 -3.97 1.61 3.72 0.30 -4.62 117.46 111.30 1hkc n PHE 766 Ca -0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 1hkc n PHE 766 Cb 0.52 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.96 1hkc n PHE 766 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1hkc s LEU 767 N -2.06 1.98 -1.21 4.37 1.43 -1.25 -4.91 118.68 117.02 1hkc s LEU 767 Ca 0.13 -0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 52.39 1hkc s LEU 767 Cb 0.13 0.52 0.15 0.00 0.03 0.00 0.00 46.19 47.02 1hkc s LEU 767 CO 0.42 -0.56 0.38 0.49 0.23 0.00 0.00 176.35 177.31 1hkc n PHE 768 N 0.49 -1.32 -2.63 0.29 3.72 -1.26 0.24 117.46 117.00 1hkc n PHE 768 Ca -0.17 0.44 -0.21 0.00 -0.05 0.00 0.00 57.45 57.46 1hkc n PHE 768 Cb 0.60 -1.48 0.01 0.00 -0.94 0.00 0.00 39.48 37.66 1hkc n PHE 768 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1hkc n ARG 769 N -3.35 -2.80 -0.73 -1.08 3.00 -1.26 -1.46 116.66 108.98 1hkc n ARG 769 Ca 0.08 0.94 0.00 0.00 -0.01 0.00 0.00 57.85 58.86 1hkc n ARG 769 Cb 0.43 -5.67 0.00 0.00 0.00 0.00 0.00 32.46 27.22 1hkc n ARG 769 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1hkc n GLY 770 N -1.17 0.51 3.60 -0.13 0.00 0.14 -4.95 105.19 103.18 1hkc n GLY 770 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1hkc n GLY 770 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hkc s GLN 771 N -0.50 3.86 -0.46 1.61 -0.21 -0.53 -4.56 119.66 118.88 1hkc s GLN 771 Ca 0.00 0.39 -0.29 0.00 0.02 0.00 0.00 55.36 55.48 1hkc s GLN 771 Cb 0.00 -3.76 0.03 0.00 1.00 0.00 0.00 33.01 30.28 1hkc s GLN 771 CO 0.00 -0.70 1.18 0.42 -2.12 0.00 0.00 175.29 174.07 1hkc s ILE 772 N 2.88 4.17 0.70 1.08 -1.09 -1.26 -4.82 121.20 122.85 1hkc s ILE 772 Ca 0.29 1.19 -0.12 0.00 -2.23 0.00 0.00 60.65 59.79 1hkc s ILE 772 Cb -0.14 -4.53 0.02 0.00 -1.58 0.00 0.00 42.46 36.22 1hkc s ILE 772 CO 0.14 -0.95 1.07 -0.55 -1.23 0.00 0.00 174.94 173.42 1hkc s SER 773 N 2.67 5.13 0.25 3.58 0.15 -1.26 -4.95 113.70 119.27 1hkc s SER 773 Ca 0.50 1.76 0.06 0.00 0.70 0.00 0.00 55.95 58.97 1hkc s SER 773 Cb -0.08 -2.52 0.28 0.00 -1.71 0.00 0.00 66.02 61.99 1hkc s SER 773 CO 0.31 -1.61 1.57 -0.08 1.20 0.00 0.00 173.24 174.64 1hkc h GLU 774 N -0.59 0.17 -0.02 5.44 4.57 -1.95 -2.50 114.58 119.70 1hkc h GLU 774 Ca -0.44 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 57.51 1hkc h GLU 774 Cb 1.22 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1hkc h GLU 774 CO 0.55 0.72 -0.48 1.15 -1.18 0.00 0.00 179.01 179.77 1hkc h THR 775 N 0.12 1.35 0.00 0.32 2.02 -1.92 -2.01 112.91 112.78 1hkc h THR 775 Ca -0.01 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.51 1hkc h THR 775 Cb 1.11 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1hkc h THR 775 CO 0.09 0.48 0.00 0.25 0.37 0.00 0.00 175.52 176.71 1hkc h LEU 776 N 0.04 0.00 0.00 2.58 5.85 -1.81 -2.79 115.31 119.17 1hkc h LEU 776 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1hkc h LEU 776 Cb 0.86 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1hkc h LEU 776 CO 0.06 0.00 -0.60 0.29 -0.34 0.00 0.00 178.44 177.85 1hkc n LYS 777 N -3.07 0.22 -2.70 1.25 5.02 -0.79 -4.86 118.16 113.23 1hkc n LYS 777 Ca 0.02 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 1hkc n LYS 777 Cb 0.39 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1hkc n LYS 777 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1hkc s THR 778 N -3.13 4.82 0.30 -0.18 2.01 -1.03 -5.03 115.64 113.40 1hkc s THR 778 Ca 0.07 2.03 -0.20 0.00 0.31 0.00 0.00 61.69 63.90 1hkc s THR 778 Cb 0.14 -4.30 -0.09 0.00 0.01 0.00 0.00 72.50 68.26 1hkc s THR 778 CO 0.72 0.16 0.82 0.00 -0.69 0.00 0.00 174.62 175.62 1hkc s ARG 779 N 0.99 4.28 -0.58 4.92 1.70 -1.26 -3.77 118.95 125.22 1hkc s ARG 779 Ca 0.52 0.98 0.00 0.00 -0.47 0.00 0.00 55.73 56.76 1hkc s ARG 779 Cb -0.21 -2.66 0.00 0.00 -0.57 0.00 0.00 34.95 31.51 1hkc s ARG 779 CO 0.28 0.25 0.00 0.41 -1.08 0.00 0.00 175.30 175.16 1hkc n GLY 780 N 0.24 0.76 0.15 3.88 0.00 -1.26 -4.91 105.19 104.05 1hkc n GLY 780 Ca 0.01 -0.80 0.02 0.00 0.00 0.00 0.00 46.02 45.25 1hkc n GLY 780 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hkc h ILE 781 N 0.00 1.17 -3.09 -0.61 6.09 -1.91 -3.36 117.51 115.81 1hkc h ILE 781 Ca -0.11 -1.96 -0.80 0.00 -1.37 0.00 0.00 64.86 60.61 1hkc h ILE 781 Cb 0.42 2.13 -0.26 0.00 0.47 0.00 0.00 36.82 39.57 1hkc h ILE 781 CO 0.17 0.52 0.74 0.49 -3.07 0.00 0.00 178.15 177.00 1hkc n PHE 782 N -3.60 4.01 -1.07 2.19 3.72 -1.26 -5.03 117.46 116.43 1hkc n PHE 782 Ca -0.00 -3.32 -0.31 0.00 -0.05 0.00 0.00 57.45 53.77 1hkc n PHE 782 Cb 0.60 -1.59 0.13 0.00 -0.94 0.00 0.00 39.48 37.67 1hkc n PHE 782 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1hkc s GLU 783 N -1.53 1.63 0.37 -1.08 2.02 -1.26 -4.27 118.70 114.58 1hkc s GLU 783 Ca 0.32 1.20 0.10 0.00 0.02 0.00 0.00 54.97 56.62 1hkc s GLU 783 Cb -0.03 -1.82 0.87 0.00 0.10 0.00 0.00 34.13 33.25 1hkc s GLU 783 CO 0.00 -2.10 1.88 1.15 0.02 0.00 0.00 175.26 176.21 1hkc h THR 784 N -1.46 0.82 0.19 3.63 2.02 -1.97 0.23 112.91 116.37 1hkc h THR 784 Ca -0.45 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1hkc h THR 784 Cb 1.25 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1hkc h THR 784 CO 0.49 0.12 -0.09 0.50 0.37 0.00 0.00 175.52 176.90 1hkc h LYS 785 N 0.63 -0.25 0.00 6.66 1.63 -1.92 0.79 116.57 124.10 1hkc h LYS 785 Ca 0.44 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.22 1hkc h LYS 785 Cb 0.77 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1hkc h LYS 785 CO -0.19 -0.15 -0.14 0.74 -3.45 0.00 0.00 179.45 176.25 1hkc h PHE 786 N -0.28 0.00 -0.05 1.91 0.04 -1.71 -2.42 116.94 114.43 1hkc h PHE 786 Ca -0.03 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.53 1hkc h PHE 786 Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1hkc h PHE 786 CO -0.06 0.14 -0.85 1.25 -0.60 0.00 0.00 178.31 178.19 1hkc h LEU 787 N 0.00 0.60 -0.92 1.54 5.85 -0.59 -2.82 115.31 118.96 1hkc h LEU 787 Ca -0.00 -0.43 -0.09 0.00 0.84 0.00 0.00 57.88 58.20 1hkc h LEU 787 Cb 0.70 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1hkc h LEU 787 CO 0.02 1.21 -0.42 0.28 -0.34 0.00 0.00 178.44 179.20 1hkc h SER 788 N 0.30 0.00 0.18 1.25 0.02 -0.50 -3.27 113.55 111.53 1hkc h SER 788 Ca -0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1hkc h SER 788 Cb 1.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.01 1hkc h SER 788 CO 0.15 0.42 -0.09 1.56 -1.14 0.00 0.00 176.83 177.73 1hkc h GLN 789 N 0.00 -0.23 -1.37 3.45 4.20 -1.39 -3.22 115.11 116.54 1hkc h GLN 789 Ca -0.00 0.02 0.43 0.00 0.06 0.00 0.00 58.65 59.15 1hkc h GLN 789 Cb 0.92 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 28.65 1hkc h GLN 789 CO 0.05 -0.15 0.92 0.82 -0.67 0.00 0.00 178.83 179.80 1hkc h ILE 790 N -1.00 0.18 -0.17 2.54 2.04 -1.61 1.24 117.51 120.73 1hkc h ILE 790 Ca -0.02 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1hkc h ILE 790 Cb 0.18 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1hkc h ILE 790 CO 0.04 0.02 0.00 -0.62 0.00 0.00 0.00 178.15 177.59 1hkc n GLU 791 N -4.52 1.84 -1.98 2.37 1.02 -1.23 -4.91 120.64 113.23 1hkc n GLU 791 Ca 0.36 -1.25 -0.41 0.00 -0.02 0.00 0.00 57.16 55.83 1hkc n GLU 791 Cb 1.44 -1.42 -0.02 0.00 -0.02 0.00 0.00 31.44 31.42 1hkc n GLU 791 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1hkc s SER 792 N -1.63 6.60 0.28 1.62 0.15 0.42 -4.87 113.70 116.27 1hkc s SER 792 Ca 0.34 2.75 0.07 0.00 0.70 0.00 0.00 55.95 59.81 1hkc s SER 792 Cb 0.19 -2.63 0.39 0.00 -1.71 0.00 0.00 66.02 62.25 1hkc s SER 792 CO 0.28 -0.72 1.64 0.44 1.20 0.00 0.00 173.24 176.08 1hkc h ASP 793 N 4.51 0.17 -0.17 5.45 3.32 -1.92 -3.03 116.42 124.75 1hkc h ASP 793 Ca -0.47 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.49 1hkc h ASP 793 Cb 1.22 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1hkc h ASP 793 CO 0.74 0.67 0.00 0.54 -1.72 0.00 0.00 179.24 179.47 1hkc n ARG 794 N -3.93 1.42 -4.37 3.56 5.12 -1.26 -4.86 116.66 112.34 1hkc n ARG 794 Ca -0.02 -0.61 -0.35 0.00 -1.93 0.00 0.00 57.85 54.94 1hkc n ARG 794 Cb 0.55 -1.16 -0.10 0.00 -1.16 0.00 0.00 32.46 30.59 1hkc n ARG 794 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1hkc s LEU 795 N -0.98 3.52 0.20 0.55 1.43 -1.15 -5.10 118.68 117.15 1hkc s LEU 795 Ca 0.11 0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.17 1hkc s LEU 795 Cb 0.06 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.40 1hkc s LEU 795 CO 0.07 0.33 0.59 0.00 0.23 0.00 0.00 176.35 177.58 1hkc s ALA 796 N -0.62 3.53 0.56 4.21 0.00 -1.26 -4.93 121.76 123.25 1hkc s ALA 796 Ca 0.10 -0.13 0.28 0.00 0.00 0.00 0.00 51.96 52.21 1hkc s ALA 796 Cb -0.12 -2.55 1.48 0.00 0.00 0.00 0.00 23.12 21.93 1hkc s ALA 796 CO 0.02 0.45 1.98 -0.07 0.00 0.00 0.00 175.76 178.13 1hkc h LEU 797 N 3.03 0.00 -0.84 0.00 3.38 -1.99 0.37 115.31 119.27 1hkc h LEU 797 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1hkc h LEU 797 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1hkc h LEU 797 CO 0.67 0.00 -0.04 -0.07 0.09 0.00 0.00 178.44 179.09 1hkc h LEU 798 N 0.00 0.00 0.07 1.67 3.38 -1.97 -1.18 115.31 117.27 1hkc h LEU 798 Ca 0.22 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.98 1hkc h LEU 798 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1hkc h LEU 798 CO -0.00 0.04 -1.10 1.56 0.09 0.00 0.00 178.44 179.02 1hkc h GLN 799 N 0.00 0.14 -0.69 1.13 4.20 -0.71 -2.89 115.11 116.29 1hkc h GLN 799 Ca -0.00 -0.24 0.12 0.00 0.06 0.00 0.00 58.65 58.59 1hkc h GLN 799 Cb 0.75 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.53 1hkc h GLN 799 CO 0.00 1.12 0.26 0.28 -0.67 0.00 0.00 178.83 179.82 1hkc h VAL 800 N -0.60 0.70 -0.62 -0.54 2.07 -1.09 0.30 116.25 116.47 1hkc h VAL 800 Ca -0.25 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1hkc h VAL 800 Cb 1.51 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1hkc h VAL 800 CO -0.02 0.08 0.25 -0.09 0.02 0.00 0.00 177.57 177.81 1hkc h ARG 801 N 0.42 0.90 -0.36 1.57 1.12 -1.33 -1.35 114.38 115.35 1hkc h ARG 801 Ca 0.37 -0.14 -0.06 0.00 -1.11 0.00 0.00 59.98 59.04 1hkc h ARG 801 Cb 0.52 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.31 1hkc h ARG 801 CO -0.37 0.73 0.01 0.00 -3.11 0.00 0.00 179.97 177.23 1hkc h ALA 802 N 1.39 0.49 0.05 2.80 0.00 -0.44 -1.37 119.26 122.19 1hkc h ALA 802 Ca 0.21 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1hkc h ALA 802 Cb 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1hkc h ALA 802 CO -0.02 0.25 -0.20 0.82 0.00 0.00 0.00 179.25 180.10 1hkc h ILE 803 N 0.45 0.54 -0.05 0.00 2.04 -0.08 0.31 117.51 120.72 1hkc h ILE 803 Ca 0.10 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 1hkc h ILE 803 Cb 0.45 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1hkc h ILE 803 CO 0.02 0.00 -0.18 -0.07 0.00 0.00 0.00 178.15 177.91 1hkc h LEU 804 N -0.35 -0.54 -2.30 1.44 3.38 -1.16 0.88 115.31 116.66 1hkc h LEU 804 Ca 0.04 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1hkc h LEU 804 Cb 0.39 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1hkc h LEU 804 CO -0.15 -0.24 -0.01 1.56 0.09 0.00 0.00 178.44 179.70 1hkc h GLN 805 N -0.27 0.00 0.00 1.13 4.20 -0.93 0.16 115.11 119.40 1hkc h GLN 805 Ca 0.07 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 1hkc h GLN 805 Cb 0.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1hkc h GLN 805 CO -0.21 0.01 -0.44 1.96 -0.67 0.00 0.00 178.83 179.48 1hkc h GLN 806 N 0.00 0.00 -0.11 1.46 4.20 0.19 -2.75 115.11 118.10 1hkc h GLN 806 Ca -0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 1hkc h GLN 806 Cb 0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1hkc h GLN 806 CO 0.00 0.44 -0.70 -0.07 -0.67 0.00 0.00 178.83 177.82 1hkc h LEU 807 N 0.00 0.59 0.00 1.46 3.38 0.83 -3.46 115.31 118.11 1hkc h LEU 807 Ca -0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1hkc h LEU 807 Cb 1.02 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1hkc h LEU 807 CO 0.06 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.31 1hkc n GLY 808 N 0.52 0.69 3.47 0.83 0.00 -0.85 -5.05 105.19 104.81 1hkc n GLY 808 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1hkc n GLY 808 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hkc s LEU 809 N 0.00 3.70 -1.02 0.99 1.43 -0.84 -4.78 118.68 118.17 1hkc s LEU 809 Ca 0.00 -0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 52.69 1hkc s LEU 809 Cb 0.00 -1.98 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 1hkc s LEU 809 CO 0.00 -0.07 2.08 -3.20 0.23 0.00 0.00 176.35 175.39 1hkc n ASN 810 N 4.96 3.47 -4.90 2.29 4.05 -1.26 -2.90 115.26 120.97 1hkc n ASN 810 Ca -0.15 -2.68 -0.28 0.00 0.45 0.00 0.00 54.58 51.92 1hkc n ASN 810 Cb 0.51 -1.28 -0.02 0.00 1.23 0.00 0.00 39.78 40.22 1hkc n ASN 810 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1hkc s SER 811 N 4.18 6.38 0.42 1.20 1.04 -1.26 -4.82 113.70 120.84 1hkc s SER 811 Ca 0.53 0.89 0.07 0.00 0.48 0.00 0.00 55.95 57.92 1hkc s SER 811 Cb 0.14 -2.22 -0.06 0.00 0.10 0.00 0.00 66.02 63.98 1hkc s SER 811 CO 0.03 -0.41 0.12 0.42 0.98 0.00 0.00 173.24 174.39 1hkc s THR 812 N -2.44 2.13 0.40 2.02 -4.23 -1.26 -4.89 115.64 107.37 1hkc s THR 812 Ca 0.47 -1.80 0.15 0.00 -1.18 0.00 0.00 61.69 59.33 1hkc s THR 812 Cb -0.10 -2.94 0.37 0.00 1.34 0.00 0.00 72.50 71.16 1hkc s THR 812 CO 0.37 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.29 1hkc h ASP 814 N 0.48 0.54 -0.04 0.00 3.32 -1.98 -2.71 116.42 116.03 1hkc h ASP 814 Ca 0.49 -0.56 0.03 0.00 0.02 0.00 0.00 57.03 57.01 1hkc h ASP 814 Cb 1.11 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 1hkc h ASP 814 CO -0.21 0.99 -0.15 0.44 -1.72 0.00 0.00 179.24 178.60 1hkc h ASP 815 N 0.10 -0.43 -0.85 6.45 3.32 -1.55 -2.30 116.42 121.15 1hkc h ASP 815 Ca 0.00 0.07 0.21 0.00 0.02 0.00 0.00 57.03 57.33 1hkc h ASP 815 Cb 0.91 0.19 -0.13 0.00 0.22 0.00 0.00 39.33 40.52 1hkc h ASP 815 CO 0.07 -0.20 0.30 0.28 -1.72 0.00 0.00 179.24 177.97 1hkc h SER 816 N -0.22 0.16 -0.58 6.45 0.02 -0.97 0.41 113.55 118.81 1hkc h SER 816 Ca 0.06 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1hkc h SER 816 Cb 0.31 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1hkc h SER 816 CO -0.17 -0.05 0.30 0.40 -1.14 0.00 0.00 176.83 176.17 1hkc h ILE 817 N 0.32 1.20 0.40 3.27 2.04 -1.08 -2.08 117.51 121.58 1hkc h ILE 817 Ca 0.52 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1hkc h ILE 817 Cb 0.99 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1hkc h ILE 817 CO -0.56 0.23 -0.19 0.25 0.00 0.00 0.00 178.15 177.88 1hkc h LEU 818 N 0.86 -0.46 -0.98 1.44 5.85 -0.00 -2.95 115.31 119.07 1hkc h LEU 818 Ca 0.21 -0.10 0.19 0.00 0.84 0.00 0.00 57.88 59.02 1hkc h LEU 818 Cb 0.08 0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.12 1hkc h LEU 818 CO -0.03 -0.03 0.58 0.58 -0.34 0.00 0.00 178.44 179.20 1hkc h VAL 819 N -1.01 0.69 -0.55 1.05 2.07 -1.04 0.28 116.25 117.74 1hkc h VAL 819 Ca -0.06 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1hkc h VAL 819 Cb 0.53 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1hkc h VAL 819 CO 0.09 0.13 0.13 0.50 0.02 0.00 0.00 177.57 178.44 1hkc h LYS 820 N 0.72 0.85 -0.17 1.57 3.64 -1.41 -1.95 116.57 119.82 1hkc h LYS 820 Ca 0.57 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.74 1hkc h LYS 820 Cb 0.89 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1hkc h LYS 820 CO -0.39 0.77 -0.02 1.15 -2.27 0.00 0.00 179.45 178.69 1hkc h THR 821 N 0.81 1.27 0.43 1.00 2.02 -0.79 -1.64 112.91 116.02 1hkc h THR 821 Ca 0.18 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1hkc h THR 821 Cb 0.31 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1hkc h THR 821 CO -0.00 0.27 -0.44 0.58 0.37 0.00 0.00 175.52 176.30 1hkc h VAL 822 N 0.03 0.12 -0.74 3.16 2.07 -1.19 -0.07 116.25 119.64 1hkc h VAL 822 Ca 0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.70 1hkc h VAL 822 Cb 0.42 0.12 -0.14 0.00 -1.52 0.00 0.00 31.29 30.17 1hkc h VAL 822 CO 0.01 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 177.35 1hkc h GLY 824 N -0.05 1.14 0.96 0.00 0.00 -0.60 0.02 103.07 104.53 1hkc h GLY 824 Ca 0.33 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1hkc h GLY 824 CO -0.78 0.13 0.19 -2.08 0.00 0.00 0.00 176.54 174.00 1hkc h VAL 825 N 0.72 1.19 -0.22 4.60 2.07 0.12 -2.29 116.25 122.44 1hkc h VAL 825 Ca 0.36 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1hkc h VAL 825 Cb 0.30 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1hkc h VAL 825 CO -0.23 0.22 -0.02 0.58 0.02 0.00 0.00 177.57 178.14 1hkc h VAL 826 N 0.57 1.27 0.00 2.57 2.07 -0.55 -3.03 116.25 119.15 1hkc h VAL 826 Ca 0.15 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1hkc h VAL 826 Cb 0.16 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1hkc h VAL 826 CO -0.02 0.29 -0.24 0.77 0.02 0.00 0.00 177.57 178.39 1hkc h SER 827 N 0.16 0.00 -0.02 0.57 4.64 -1.01 -2.39 113.55 115.50 1hkc h SER 827 Ca 0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1hkc h SER 827 Cb 0.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1hkc h SER 827 CO 0.02 0.24 -0.04 -0.09 -0.87 0.00 0.00 176.83 176.09 1hkc h ARG 828 N 0.00 0.07 -0.75 4.77 2.43 -1.38 -2.51 114.38 117.00 1hkc h ARG 828 Ca -0.00 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1hkc h ARG 828 Cb 0.68 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 1hkc h ARG 828 CO 0.03 0.59 0.49 -0.09 -1.51 0.00 0.00 179.97 179.49 1hkc h ARG 829 N -0.45 0.89 0.26 0.20 2.43 -1.44 -0.79 114.38 115.47 1hkc h ARG 829 Ca 0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1hkc h ARG 829 Cb 0.59 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1hkc h ARG 829 CO 0.01 0.59 -0.17 0.00 -1.51 0.00 0.00 179.97 178.88 1hkc h ALA 830 N 1.56 -0.41 -0.74 2.80 0.00 -1.39 0.35 119.26 121.44 1hkc h ALA 830 Ca 0.30 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1hkc h ALA 830 Cb 0.05 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1hkc h ALA 830 CO -0.09 -0.74 0.48 0.00 0.00 0.00 0.00 179.25 178.90 1hkc h ALA 831 N 0.30 0.96 -0.03 0.00 0.00 -0.94 0.15 119.26 119.69 1hkc h ALA 831 Ca -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1hkc h ALA 831 Cb 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1hkc h ALA 831 CO 0.01 0.31 0.01 1.96 0.00 0.00 0.00 179.25 181.54 1hkc h GLN 832 N 0.96 0.06 -0.12 0.00 4.20 -0.85 0.16 115.11 119.51 1hkc h GLN 832 Ca 0.28 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1hkc h GLN 832 Cb -0.05 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1hkc h GLN 832 CO -0.08 0.30 0.04 -0.07 -0.67 0.00 0.00 178.83 178.34 1hkc h LEU 833 N -0.20 0.15 -0.24 1.46 3.38 -0.16 0.80 115.31 120.50 1hkc h LEU 833 Ca 0.01 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1hkc h LEU 833 Cb 0.27 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1hkc h LEU 833 CO 0.00 0.15 -0.52 0.00 0.09 0.00 0.00 178.44 178.17 1hkc h GLY 835 N 0.53 0.57 0.84 0.00 0.00 0.11 0.10 103.07 105.20 1hkc h GLY 835 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.16 1hkc h GLY 835 CO 0.11 0.24 0.57 0.00 0.00 0.00 0.00 176.54 177.47 1hkc h ALA 836 N 1.07 1.58 0.58 3.60 0.00 -0.96 0.73 119.26 125.87 1hkc h ALA 836 Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1hkc h ALA 836 Cb 0.05 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1hkc h ALA 836 CO -0.02 0.27 -0.28 0.78 0.00 0.00 0.00 179.25 180.00 1hkc h GLY 837 N 0.94 -0.81 0.58 0.00 0.00 -1.19 -2.74 103.07 99.84 1hkc h GLY 837 Ca 0.39 0.30 0.14 0.00 0.00 0.00 0.00 47.33 48.16 1hkc h GLY 837 CO -0.15 -0.30 0.56 1.98 0.00 0.00 0.00 176.54 178.63 1hkc h MET 838 N -1.11 0.63 0.00 4.80 -1.53 -0.58 0.09 114.93 117.24 1hkc h MET 838 Ca -0.08 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.13 1hkc h MET 838 Cb 0.65 -0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 31.55 1hkc h MET 838 CO 0.13 0.42 -0.06 0.00 0.14 0.00 0.00 176.91 177.54 1hkc h ALA 839 N 1.61 1.82 0.01 0.39 0.00 0.57 -2.42 119.26 121.23 1hkc h ALA 839 Ca 0.43 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 55.06 1hkc h ALA 839 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1hkc h ALA 839 CO -0.18 0.07 -0.97 0.00 0.00 0.00 0.00 179.25 178.17 1hkc h ALA 840 N 1.94 0.33 0.54 0.00 0.00 -0.66 -3.16 119.26 118.25 1hkc h ALA 840 Ca -0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.17 1hkc h ALA 840 Cb 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1hkc h ALA 840 CO 0.01 0.82 -0.26 0.28 0.00 0.00 0.00 179.25 180.09 1hkc h VAL 841 N 0.23 0.35 -0.77 0.00 2.07 -1.35 -1.64 116.25 115.15 1hkc h VAL 841 Ca -0.09 -0.35 0.11 0.00 0.82 0.00 0.00 66.70 67.20 1hkc h VAL 841 Cb 1.61 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 1hkc h VAL 841 CO 0.17 0.04 0.39 -0.37 0.02 0.00 0.00 177.57 177.83 1hkc h VAL 842 N -0.97 0.83 -0.36 2.57 -1.51 -1.65 -0.47 116.25 114.69 1hkc h VAL 842 Ca -0.07 -0.22 -0.10 0.00 -1.23 0.00 0.00 66.70 65.07 1hkc h VAL 842 Cb 0.63 0.13 -0.02 0.00 -2.13 0.00 0.00 31.29 29.90 1hkc h VAL 842 CO 0.12 0.12 -0.20 0.44 -1.23 0.00 0.00 177.57 176.82 1hkc h ASP 843 N 0.64 0.68 -0.54 4.19 3.32 -1.55 -0.07 116.42 123.09 1hkc h ASP 843 Ca 0.39 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 1hkc h ASP 843 Cb 0.44 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1hkc h ASP 843 CO -0.29 0.87 0.09 0.50 -1.72 0.00 0.00 179.24 178.70 1hkc h LYS 844 N 0.60 0.93 -0.30 3.56 3.64 -0.22 0.82 116.57 125.59 1hkc h LYS 844 Ca 0.09 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 1hkc h LYS 844 Cb 0.67 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1hkc h LYS 844 CO 0.05 0.86 0.02 0.82 -2.27 0.00 0.00 179.45 178.93 1hkc h ILE 845 N 0.88 1.25 0.67 2.00 2.04 -0.66 0.70 117.51 124.39 1hkc h ILE 845 Ca 0.18 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1hkc h ILE 845 Cb 0.39 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1hkc h ILE 845 CO 0.01 0.29 -0.50 -0.09 0.00 0.00 0.00 178.15 177.85 1hkc h ARG 846 N 0.33 -1.09 0.00 2.37 2.43 -0.64 -1.87 114.38 115.90 1hkc h ARG 846 Ca 0.09 0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1hkc h ARG 846 Cb 0.39 0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1hkc h ARG 846 CO 0.01 -0.73 -0.05 0.93 -1.51 0.00 0.00 179.97 178.63 1hkc h GLU 847 N -1.13 0.00 -0.84 0.20 5.08 -0.80 -1.57 114.58 115.53 1hkc h GLU 847 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1hkc h GLU 847 Cb 0.93 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 1hkc h GLU 847 CO 0.03 0.05 0.49 -0.91 -1.00 0.00 0.00 179.01 177.66 1hkc h ASN 848 N 0.00 1.03 -0.47 1.42 -0.26 0.93 -1.47 115.58 116.75 1hkc h ASN 848 Ca -0.00 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.66 1hkc h ASN 848 Cb 0.08 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.08 1hkc h ASN 848 CO 0.01 0.81 0.00 0.54 -1.06 0.00 0.00 177.43 177.73 1hkc n ARG 849 N -4.41 3.03 -3.84 0.81 1.74 -0.65 -4.95 116.66 108.39 1hkc n ARG 849 Ca 0.08 -2.09 -0.25 0.00 -0.77 0.00 0.00 57.85 54.83 1hkc n ARG 849 Cb 0.07 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 1hkc n ARG 849 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hkc n GLY 850 N 0.89 -0.34 3.76 -0.13 0.00 -0.55 -4.99 105.19 103.81 1hkc n GLY 850 Ca 0.19 0.18 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 1hkc n GLY 850 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hkc s LEU 851 N -6.81 3.20 0.00 0.99 1.43 -0.85 -5.01 118.68 111.63 1hkc s LEU 851 Ca 0.06 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1hkc s LEU 851 Cb -0.02 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1hkc s LEU 851 CO 0.86 -0.48 0.64 0.47 0.23 0.00 0.00 176.35 178.08 1hkc n ASP 852 N -1.26 1.28 -3.64 2.29 8.00 -1.26 -4.56 116.55 117.41 1hkc n ASP 852 Ca -0.01 -1.30 -0.05 0.00 0.71 0.00 0.00 54.79 54.14 1hkc n ASP 852 Cb 0.63 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.67 1hkc n ASP 852 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1hkc s ARG 853 N -0.30 0.67 -0.04 -1.24 6.06 -1.25 -4.83 118.95 118.02 1hkc s ARG 853 Ca 0.00 1.27 0.02 0.00 -2.50 0.00 0.00 55.73 54.52 1hkc s ARG 853 Cb 0.00 0.32 0.01 0.00 0.06 0.00 0.00 34.95 35.35 1hkc s ARG 853 CO 0.00 -0.16 -0.06 -1.17 -2.50 0.00 0.00 175.30 171.40 1hkc s LEU 854 N 1.95 1.54 -0.30 -0.88 2.96 -0.44 -5.01 118.68 118.49 1hkc s LEU 854 Ca -0.09 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1hkc s LEU 854 Cb -0.07 -0.50 0.04 0.00 0.50 0.00 0.00 46.19 46.16 1hkc s LEU 854 CO -0.20 -0.00 0.02 0.20 -1.32 0.00 0.00 176.35 175.05 1hkc s ASN 855 N 0.61 4.91 0.02 3.68 0.01 -1.26 0.16 114.94 123.06 1hkc s ASN 855 Ca -0.09 -1.09 0.02 0.00 -0.71 0.00 0.00 52.86 50.99 1hkc s ASN 855 Cb -0.12 -1.76 -0.01 0.00 0.41 0.00 0.00 41.25 39.76 1hkc s ASN 855 CO 0.01 -0.24 -0.06 0.54 -1.51 0.00 0.00 177.10 175.83 1hkc s VAL 856 N 1.33 0.48 0.05 1.60 0.11 -0.78 -4.95 120.40 118.24 1hkc s VAL 856 Ca -0.02 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.45 1hkc s VAL 856 Cb -0.19 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 1hkc s VAL 856 CO -0.00 -0.09 0.07 -0.89 -3.33 0.00 0.00 175.10 170.85 1hkc s THR 857 N -0.66 4.53 -0.08 5.04 2.01 -0.16 -0.48 115.64 125.83 1hkc s THR 857 Ca -0.03 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.34 1hkc s THR 857 Cb -0.05 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 1hkc s THR 857 CO 0.00 0.20 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.20 1hkc s VAL 858 N -1.32 2.08 -0.23 3.82 1.01 0.58 -2.93 120.40 123.41 1hkc s VAL 858 Ca 0.27 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 1hkc s VAL 858 Cb -0.12 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1hkc s VAL 858 CO 0.19 0.56 0.38 -0.83 0.00 0.00 0.00 175.10 175.40 1hkc s GLY 859 N 0.11 1.99 0.19 4.51 0.00 0.11 -0.65 107.32 113.59 1hkc s GLY 859 Ca -0.12 -0.66 0.09 0.00 0.00 0.00 0.00 44.72 44.03 1hkc s GLY 859 CO 0.07 0.86 -0.17 -1.34 0.00 0.00 0.00 173.10 172.52 1hkc s VAL 860 N 1.61 1.89 0.24 1.40 -7.23 -0.28 -0.34 120.40 117.69 1hkc s VAL 860 Ca 0.17 -2.08 -0.16 0.00 -1.81 0.00 0.00 61.98 58.10 1hkc s VAL 860 Cb -0.15 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.83 1hkc s VAL 860 CO 0.08 -0.41 0.55 -0.62 -0.31 0.00 0.00 175.10 174.39 1hkc s ASP 861 N -2.98 -0.17 0.00 4.85 2.15 -0.79 0.22 116.67 119.95 1hkc s ASP 861 Ca 0.20 -0.74 0.00 0.00 0.43 0.00 0.00 52.55 52.44 1hkc s ASP 861 Cb -0.04 0.62 0.00 0.00 -0.30 0.00 0.00 42.92 43.20 1hkc s ASP 861 CO 0.08 -1.17 0.00 0.61 -0.17 0.00 0.00 175.17 174.52 1hkc n GLY 862 N -0.39 4.21 0.27 2.66 0.00 -1.26 -1.22 105.19 109.46 1hkc n GLY 862 Ca -0.04 -1.08 0.10 0.00 0.00 0.00 0.00 46.02 45.00 1hkc n GLY 862 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1hkc h THR 863 N 0.00 0.83 0.02 2.61 1.35 -1.88 -1.02 112.91 114.82 1hkc h THR 863 Ca 0.00 -0.15 -0.06 0.00 -0.55 0.00 0.00 66.41 65.65 1hkc h THR 863 Cb 0.00 1.09 0.01 0.00 -1.73 0.00 0.00 68.15 67.51 1hkc h THR 863 CO 0.00 0.04 -0.26 0.25 -0.25 0.00 0.00 175.52 175.30 1hkc h LEU 864 N 0.00 0.19 -0.68 3.87 5.85 -1.79 -0.56 115.31 122.20 1hkc h LEU 864 Ca -0.00 -0.86 -0.01 0.00 0.84 0.00 0.00 57.88 57.85 1hkc h LEU 864 Cb 0.08 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1hkc h LEU 864 CO 0.01 1.03 0.39 0.22 -0.34 0.00 0.00 178.44 179.74 1hkc h TYR 865 N -0.62 0.92 0.15 1.25 5.03 -1.37 -0.76 116.97 121.56 1hkc h TYR 865 Ca -0.04 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.25 1hkc h TYR 865 Cb 1.09 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 39.08 1hkc h TYR 865 CO 0.21 0.64 -0.07 -0.22 -1.32 0.00 0.00 178.16 177.40 1hkc h LYS 866 N 0.93 -0.19 0.00 1.82 3.64 -1.28 -3.38 116.57 118.11 1hkc h LYS 866 Ca 0.24 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.45 1hkc h LYS 866 Cb 0.02 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1hkc h LYS 866 CO -0.04 0.25 -0.83 -0.07 -2.27 0.00 0.00 179.45 176.49 1hkc h LEU 867 N -0.83 0.09 -9.63 5.20 3.38 -1.14 -3.46 115.31 108.93 1hkc h LEU 867 Ca -0.02 -0.08 -0.53 0.00 0.09 0.00 0.00 57.88 57.35 1hkc h LEU 867 Cb 0.53 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.29 1hkc h LEU 867 CO 0.03 0.88 0.68 -2.28 0.09 0.00 0.00 178.44 177.85 1hkc s HIS 868 N -3.18 3.24 0.28 1.13 2.46 -0.29 -4.86 115.29 114.08 1hkc s HIS 868 Ca -0.01 1.12 -0.01 0.00 0.47 0.00 0.00 55.06 56.63 1hkc s HIS 868 Cb 0.11 -3.64 0.46 0.00 -0.13 0.00 0.00 32.58 29.38 1hkc s HIS 868 CO 0.80 -2.08 1.90 -1.35 -2.47 0.00 0.00 174.74 171.54 1hkc h PRO 869 N 5.89 1.09 0.00 2.88 0.11 -1.89 -3.35 132.00 136.73 1hkc h PRO 869 Ca -0.44 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1hkc h PRO 869 Cb 1.21 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1hkc h PRO 869 CO 0.81 0.72 0.00 0.72 -0.21 0.00 0.00 178.00 180.03 1hkc n HIS 870 N -4.48 0.00 0.20 0.65 8.25 -1.26 -4.84 115.22 113.74 1hkc n HIS 870 Ca 0.14 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.48 1hkc n HIS 870 Cb 0.18 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 1hkc n HIS 870 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1hkc h PHE 871 N 0.00 -0.97 -0.99 4.41 3.04 -1.89 -2.25 116.94 118.29 1hkc h PHE 871 Ca 0.00 0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.14 1hkc h PHE 871 Cb 0.02 0.38 -0.10 0.00 2.56 0.00 0.00 35.95 38.81 1hkc h PHE 871 CO 0.00 -0.47 0.61 0.66 -2.02 0.00 0.00 178.31 177.10 1hkc h SER 872 N -0.70 0.75 0.74 0.41 4.64 -1.82 0.04 113.55 117.62 1hkc h SER 872 Ca -0.04 0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1hkc h SER 872 Cb 0.60 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1hkc h SER 872 CO -0.04 0.30 -0.36 -0.09 -0.87 0.00 0.00 176.83 175.77 1hkc h ARG 873 N 0.75 -0.96 -0.82 4.77 2.43 -1.85 -0.73 114.38 117.98 1hkc h ARG 873 Ca 0.55 0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.86 1hkc h ARG 873 Cb 0.86 0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 1hkc h ARG 873 CO -0.32 -0.63 0.53 0.82 -1.51 0.00 0.00 179.97 178.86 1hkc h ILE 874 N -1.23 1.01 0.18 1.20 2.04 -1.22 0.65 117.51 120.14 1hkc h ILE 874 Ca -0.10 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1hkc h ILE 874 Cb 0.78 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1hkc h ILE 874 CO 0.17 0.16 -0.17 -0.03 0.00 0.00 0.00 178.15 178.27 1hkc h MET 875 N 0.85 -0.37 0.17 2.37 4.05 -0.89 -0.89 114.93 120.22 1hkc h MET 875 Ca 0.36 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.80 1hkc h MET 875 Cb 0.30 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.18 1hkc h MET 875 CO -0.13 -0.25 -0.10 0.45 0.23 0.00 0.00 176.91 177.11 1hkc h HIS 876 N -0.38 -0.27 -0.74 1.39 3.86 0.04 -1.69 115.15 117.36 1hkc h HIS 876 Ca -0.00 -0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.37 1hkc h HIS 876 Cb 0.36 0.09 -0.12 0.00 1.06 0.00 0.00 27.41 28.80 1hkc h HIS 876 CO -0.14 -0.16 0.11 1.96 0.86 0.00 0.00 177.93 180.56 1hkc h GLN 877 N -0.27 0.18 -0.43 2.45 4.20 -0.76 -1.77 115.11 118.71 1hkc h GLN 877 Ca -0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1hkc h GLN 877 Cb 0.22 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1hkc h GLN 877 CO 0.02 0.12 0.21 1.15 -0.67 0.00 0.00 178.83 179.66 1hkc h THR 878 N 0.19 1.18 -0.02 -0.54 2.02 -0.56 -2.41 112.91 112.78 1hkc h THR 878 Ca 0.42 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1hkc h THR 878 Cb 0.73 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1hkc h THR 878 CO -0.57 0.20 -0.04 0.58 0.37 0.00 0.00 175.52 176.06 1hkc h VAL 879 N 0.56 1.04 0.16 3.16 2.07 -0.47 -2.47 116.25 120.31 1hkc h VAL 879 Ca 0.15 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1hkc h VAL 879 Cb 0.13 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1hkc h VAL 879 CO -0.02 0.05 -0.08 0.50 0.02 0.00 0.00 177.57 178.04 1hkc h LYS 880 N 0.02 -0.21 -0.43 1.57 3.64 -0.95 -1.29 116.57 118.92 1hkc h LYS 880 Ca 0.01 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1hkc h LYS 880 Cb 0.08 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1hkc h LYS 880 CO 0.00 0.05 0.26 0.93 -2.27 0.00 0.00 179.45 178.43 1hkc h GLU 881 N -0.46 0.51 0.00 1.90 5.08 -1.12 -3.07 114.58 117.41 1hkc h GLU 881 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1hkc h GLU 881 Cb 0.36 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1hkc h GLU 881 CO 0.04 0.33 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.15 1hkc h LEU 882 N 0.52 0.00 -6.44 1.33 3.38 -1.51 -3.39 115.31 109.20 1hkc h LEU 882 Ca 0.17 -0.01 -0.59 0.00 0.09 0.00 0.00 57.88 57.54 1hkc h LEU 882 Cb -0.01 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.36 1hkc h LEU 882 CO -0.07 0.00 -0.92 -1.20 0.09 0.00 0.00 178.44 176.34 1hkc n SER 883 N -2.90 0.11 0.13 -0.43 7.64 -0.49 -4.95 113.62 112.73 1hkc n SER 883 Ca 0.04 -2.53 0.13 0.00 1.01 0.00 0.00 58.87 57.52 1hkc n SER 883 Cb 0.52 -0.59 0.31 0.00 -1.01 0.00 0.00 64.21 63.44 1hkc n SER 883 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1hkc h PRO 884 N 5.47 0.00 -0.02 1.43 0.14 -1.75 -3.11 132.00 134.17 1hkc h PRO 884 Ca 0.24 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.38 1hkc h PRO 884 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.02 1hkc h PRO 884 CO 0.43 0.00 0.00 1.63 0.14 0.00 0.00 178.00 180.20 1hkc n LYS 885 N -2.48 1.16 -5.05 0.86 4.76 -1.26 -4.76 118.16 111.39 1hkc n LYS 885 Ca 0.05 -0.23 -0.29 0.00 -2.87 0.00 0.00 58.31 54.97 1hkc n LYS 885 Cb 0.46 -1.43 -0.16 0.00 -1.84 0.00 0.00 35.03 32.06 1hkc n LYS 885 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hkc s ASN 887 N -0.13 5.53 -0.06 0.00 2.47 0.41 -4.93 114.94 118.22 1hkc s ASN 887 Ca -0.02 -3.03 -0.12 0.00 0.42 0.00 0.00 52.86 50.12 1hkc s ASN 887 Cb -0.12 -1.90 -0.05 0.00 -1.45 0.00 0.00 41.25 37.73 1hkc s ASN 887 CO 0.02 -0.35 0.30 0.54 -3.72 0.00 0.00 177.10 173.89 1hkc s VAL 888 N -0.32 5.24 -0.07 -5.21 0.11 -1.25 -1.87 120.40 117.02 1hkc s VAL 888 Ca 0.19 0.57 0.05 0.00 -2.93 0.00 0.00 61.98 59.87 1hkc s VAL 888 Cb -0.17 -3.59 -0.01 0.00 -1.53 0.00 0.00 36.38 31.09 1hkc s VAL 888 CO -0.06 0.57 -0.24 -0.44 -3.33 0.00 0.00 175.10 171.61 1hkc s SER 889 N -0.89 3.16 -0.22 3.54 0.01 0.36 -4.97 113.70 114.69 1hkc s SER 889 Ca 0.20 -0.50 -0.07 0.00 1.31 0.00 0.00 55.95 56.89 1hkc s SER 889 Cb -0.15 -0.95 -0.03 0.00 0.21 0.00 0.00 66.02 65.10 1hkc s SER 889 CO 0.09 0.23 0.05 -0.36 0.41 0.00 0.00 173.24 173.67 1hkc s PHE 890 N -0.10 3.10 -0.11 2.43 0.40 -1.26 0.22 117.98 122.65 1hkc s PHE 890 Ca -0.05 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1hkc s PHE 890 Cb -0.14 -2.17 0.01 0.00 0.51 0.00 0.00 43.02 41.22 1hkc s PHE 890 CO 0.04 -0.23 -0.21 -0.51 0.70 0.00 0.00 175.22 175.01 1hkc s LEU 891 N 1.23 2.00 -0.21 -0.37 1.43 0.18 -4.94 118.68 118.00 1hkc s LEU 891 Ca 0.04 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 1hkc s LEU 891 Cb -0.14 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 1hkc s LEU 891 CO 0.03 0.10 1.64 -0.22 0.23 0.00 0.00 176.35 178.13 1hkc s LEU 892 N 0.64 3.90 -0.18 1.79 2.96 -1.26 -1.13 118.68 125.41 1hkc s LEU 892 Ca -0.12 1.67 -0.00 0.00 -0.22 0.00 0.00 54.13 55.45 1hkc s LEU 892 Cb -0.16 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1hkc s LEU 892 CO 0.03 -1.27 -0.15 -0.44 -1.32 0.00 0.00 176.35 173.20 1hkc s SER 893 N 4.34 3.58 0.34 3.68 0.01 0.13 -4.87 113.70 120.91 1hkc s SER 893 Ca 0.73 -0.52 0.08 0.00 1.31 0.00 0.00 55.95 57.54 1hkc s SER 893 Cb -0.26 -1.56 -0.03 0.00 0.21 0.00 0.00 66.02 64.37 1hkc s SER 893 CO 0.30 0.03 0.22 -1.61 0.41 0.00 0.00 173.24 172.59 1hkc s GLU 894 N 1.12 2.55 -1.26 12.44 2.02 -1.26 -4.21 118.70 130.10 1hkc s GLU 894 Ca 0.00 -1.41 -0.01 0.00 0.02 0.00 0.00 54.97 53.57 1hkc s GLU 894 Cb -0.14 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1hkc s GLU 894 CO -0.05 0.11 0.94 -3.47 0.02 0.00 0.00 175.26 172.81 1hkc n ASP 895 N -1.26 -2.37 0.09 -0.19 2.03 -1.26 -4.88 116.55 108.72 1hkc n ASP 895 Ca -0.03 -0.67 0.12 0.00 0.52 0.00 0.00 54.79 54.73 1hkc n ASP 895 Cb 0.60 -4.80 0.45 0.00 -0.72 0.00 0.00 41.12 36.66 1hkc n ASP 895 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hkc n GLY 896 N -1.36 -1.41 0.08 0.27 0.00 -1.26 -2.18 105.19 99.33 1hkc n GLY 896 Ca -0.25 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 1hkc n GLY 896 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1hkc h SER 897 N 0.00 0.00 0.00 1.61 4.64 -1.86 -3.10 113.55 114.83 1hkc h SER 897 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hkc h SER 897 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1hkc h SER 897 CO 0.00 0.88 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 1hkc n GLY 898 N 1.38 -0.29 0.32 -0.77 0.00 -1.15 -4.08 105.19 100.60 1hkc n GLY 898 Ca -0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.14 1hkc n GLY 898 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1hkc h LYS 899 N 0.00 0.28 -0.15 1.61 3.64 -1.71 -0.34 116.57 119.90 1hkc h LYS 899 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1hkc h LYS 899 Cb 0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1hkc h LYS 899 CO 0.00 0.19 0.05 0.78 -2.27 0.00 0.00 179.45 178.20 1hkc h GLY 900 N 0.29 0.25 1.34 5.01 0.00 -1.46 -1.09 103.07 107.42 1hkc h GLY 900 Ca 0.62 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.84 1hkc h GLY 900 CO -0.61 0.13 0.35 0.00 0.00 0.00 0.00 176.54 176.41 1hkc h ALA 901 N 0.87 1.78 -0.20 3.60 0.00 -1.03 0.16 119.26 124.45 1hkc h ALA 901 Ca 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1hkc h ALA 901 Cb 0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1hkc h ALA 901 CO -0.00 0.15 -0.26 0.00 0.00 0.00 0.00 179.25 179.14 1hkc h ALA 902 N 1.70 0.30 -0.28 0.00 0.00 -1.06 -2.09 119.26 117.83 1hkc h ALA 902 Ca 0.22 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1hkc h ALA 902 Cb 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1hkc h ALA 902 CO -0.06 0.29 0.01 -0.07 0.00 0.00 0.00 179.25 179.42 1hkc h LEU 903 N 0.20 0.38 -0.71 0.00 3.38 -0.31 0.93 115.31 119.17 1hkc h LEU 903 Ca 0.02 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1hkc h LEU 903 Cb 0.83 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1hkc h LEU 903 CO 0.06 0.44 -0.38 0.40 0.09 0.00 0.00 178.44 179.05 1hkc h ILE 904 N 0.41 1.30 -0.27 1.22 2.04 -0.89 -2.04 117.51 119.27 1hkc h ILE 904 Ca 0.09 -1.53 -0.07 0.00 1.00 0.00 0.00 64.86 64.35 1hkc h ILE 904 Cb 0.25 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1hkc h ILE 904 CO 0.01 0.48 -0.12 0.74 0.00 0.00 0.00 178.15 179.25 1hkc h THR 905 N 0.46 1.30 -0.64 -0.27 2.02 -0.53 -0.31 112.91 114.94 1hkc h THR 905 Ca 0.04 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.01 1hkc h THR 905 Cb 0.87 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 1hkc h THR 905 CO 0.07 0.38 0.39 0.00 0.37 0.00 0.00 175.52 176.73 1hkc h ALA 906 N 0.74 0.82 -0.04 6.16 0.00 -0.77 -0.20 119.26 125.97 1hkc h ALA 906 Ca 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1hkc h ALA 906 Cb 0.63 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1hkc h ALA 906 CO 0.04 0.30 -0.46 0.28 0.00 0.00 0.00 179.25 179.41 1hkc h VAL 907 N 0.87 1.33 0.64 0.00 2.07 -1.34 -2.31 116.25 117.52 1hkc h VAL 907 Ca 0.23 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 1hkc h VAL 907 Cb -0.02 1.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1hkc h VAL 907 CO -0.04 0.46 -0.31 1.23 0.02 0.00 0.00 177.57 178.93 1hkc h GLY 908 N 1.34 -0.90 1.22 2.17 0.00 0.29 -2.00 103.07 105.20 1hkc h GLY 908 Ca 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1hkc h GLY 908 CO 0.06 -0.33 0.41 -0.39 0.00 0.00 0.00 176.54 176.30 1hkc h VAL 909 N -1.02 1.22 -0.32 4.60 -1.51 -1.11 -2.22 116.25 115.89 1hkc h VAL 909 Ca -0.09 -0.54 0.03 0.00 -1.23 0.00 0.00 66.70 64.87 1hkc h VAL 909 Cb 0.70 0.21 -0.02 0.00 -2.13 0.00 0.00 31.29 30.05 1hkc h VAL 909 CO 0.14 0.24 0.21 -0.09 -1.23 0.00 0.00 177.57 176.85 1hkc h ARG 910 N 1.03 0.31 0.00 5.19 2.43 -1.31 -2.50 114.38 119.54 1hkc h ARG 910 Ca 0.26 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1hkc h ARG 910 Cb 0.02 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1hkc h ARG 910 CO -0.04 0.21 -0.46 1.28 -1.51 0.00 0.00 179.97 179.44 1hkc n LEU 911 N -4.49 0.72 -0.16 3.80 4.77 -0.76 -3.34 117.00 117.54 1hkc n LEU 911 Ca 0.03 0.31 0.06 0.00 -0.03 0.00 0.00 56.01 56.38 1hkc n LEU 911 Cb 0.15 -0.22 0.29 0.00 -2.33 0.00 0.00 43.42 41.31 1hkc n LEU 911 CO 0.35 -0.08 0.70 -2.11 -1.33 0.00 0.00 177.39 174.91 1hkc n ARG 912 N -2.13 1.20 -0.13 3.23 1.85 -0.94 -3.04 116.66 116.70 1hkc n ARG 912 Ca 0.04 -0.31 -0.19 0.00 -1.00 0.00 0.00 57.85 56.39 1hkc n ARG 912 Cb 0.43 -1.20 -0.12 0.00 -1.05 0.00 0.00 32.46 30.52 1hkc n ARG 912 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1hkc n THR 913 N -0.37 1.50 0.48 8.89 -1.04 -1.21 -5.13 114.28 117.39 1hkc n THR 913 Ca 0.09 -0.57 0.04 0.00 -2.04 0.00 0.00 64.05 61.58 1hkc n THR 913 Cb 0.11 -1.44 0.23 0.00 -1.82 0.00 0.00 70.33 67.40 1hkc n THR 913 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81