#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz n THR 6 N 0.00 0.00 0.00 1.47 -1.04 -1.26 -5.03 114.28 108.41 3hkz n THR 6 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hkz n THR 6 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3hkz n THR 6 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3hkz n ILE 7 N 0.00 0.00 0.18 12.58 2.08 -1.26 -4.03 119.36 128.90 3hkz n ILE 7 Ca 0.00 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.39 3hkz n ILE 7 Cb 0.00 -0.75 0.10 0.00 -0.75 0.00 0.00 39.64 38.24 3hkz n ILE 7 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3hkz h ASP 8 N 0.00 0.00 0.00 4.38 3.45 -1.99 -3.26 116.42 119.00 3hkz h ASP 8 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hkz h ASP 8 Cb 0.76 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.53 3hkz h ASP 8 CO 0.00 0.22 0.00 1.21 -1.57 0.00 0.00 179.24 179.10 3hkz n GLU 9 N -3.13 0.00 -0.32 3.56 2.13 -1.26 -2.74 120.64 118.88 3hkz n GLU 9 Ca 0.03 0.30 0.27 0.00 0.66 0.00 0.00 57.16 58.42 3hkz n GLU 9 Cb 0.62 -1.22 0.50 0.00 0.27 0.00 0.00 31.44 31.61 3hkz n GLU 9 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 3hkz n ARG 10 N -1.41 -0.06 0.06 5.31 1.85 -1.26 -2.10 116.66 119.05 3hkz n ARG 10 Ca 0.00 1.36 -0.06 0.00 -1.00 0.00 0.00 57.85 58.15 3hkz n ARG 10 Cb 0.00 -2.38 -0.04 0.00 -1.05 0.00 0.00 32.46 28.99 3hkz n ARG 10 CO 0.00 0.00 0.00 2.35 -0.01 0.00 0.00 177.63 179.97 3hkz h TRP 11 N 0.00 -0.58 -0.94 2.89 -0.00 -1.59 -3.09 115.95 112.64 3hkz h TRP 11 Ca 0.77 0.01 0.25 0.00 -0.00 0.00 0.00 58.89 59.92 3hkz h TRP 11 Cb 1.95 0.24 -0.18 0.00 -0.00 0.00 0.00 29.16 31.17 3hkz h TRP 11 CO -0.13 -0.23 -0.03 0.54 -0.00 0.00 0.00 178.44 178.59 3hkz n ARG 12 N -3.58 -0.08 0.27 2.65 5.12 -0.89 -0.24 116.66 119.92 3hkz n ARG 12 Ca -0.03 1.42 -0.17 0.00 -1.93 0.00 0.00 57.85 57.14 3hkz n ARG 12 Cb 0.16 -2.23 -0.09 0.00 -1.16 0.00 0.00 32.46 29.14 3hkz n ARG 12 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3hkz h VAL 13 N 0.00 0.11 -0.73 1.55 2.07 -1.65 0.77 116.25 118.37 3hkz h VAL 13 Ca 0.55 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 68.01 3hkz h VAL 13 Cb 1.08 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3hkz h VAL 13 CO -0.90 0.00 0.23 -0.29 0.02 0.00 0.00 177.57 176.63 3hkz h ILE 14 N -0.92 1.26 -0.76 4.57 6.09 -0.65 0.78 117.51 127.88 3hkz h ILE 14 Ca -0.05 -0.91 -0.05 0.00 -1.37 0.00 0.00 64.86 62.49 3hkz h ILE 14 Cb 0.80 0.46 -0.03 0.00 0.47 0.00 0.00 36.82 38.52 3hkz h ILE 14 CO -0.06 0.36 0.29 -0.08 -3.07 0.00 0.00 178.15 175.59 3hkz h GLU 15 N 1.09 1.14 -0.20 2.19 4.81 -0.47 -0.62 114.58 122.52 3hkz h GLU 15 Ca 0.24 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3hkz h GLU 15 Cb 0.31 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3hkz h GLU 15 CO -0.01 0.94 -0.15 0.00 -0.73 0.00 0.00 179.01 179.06 3hkz h ALA 16 N 1.15 1.37 -0.70 2.92 0.00 0.15 -1.32 119.26 122.82 3hkz h ALA 16 Ca 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hkz h ALA 16 Cb 0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hkz h ALA 16 CO -0.02 0.43 0.42 -0.92 0.00 0.00 0.00 179.25 179.16 3hkz h TYR 17 N 0.32 0.93 0.00 0.00 3.20 0.19 -1.51 116.97 120.09 3hkz h TYR 17 Ca 0.06 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3hkz h TYR 17 Cb 0.46 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 3hkz h TYR 17 CO 0.01 0.63 -0.07 0.74 -1.64 0.00 0.00 178.16 177.83 3hkz h PHE 18 N 0.95 0.00 0.00 -3.82 0.04 -0.59 0.11 116.94 113.63 3hkz h PHE 18 Ca 0.25 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.95 3hkz h PHE 18 Cb -0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 3hkz h PHE 18 CO -0.01 0.07 -0.34 -0.22 -0.60 0.00 0.00 178.31 177.22 3hkz h LYS 19 N 0.00 0.00 0.00 1.51 3.64 -0.77 -2.80 116.57 118.14 3hkz h LYS 19 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hkz h LYS 19 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3hkz h LYS 19 CO 0.01 0.34 -0.71 1.03 -2.27 0.00 0.00 179.45 177.85 3hkz h SER 20 N 0.00 0.00 0.00 4.20 0.87 0.12 -3.48 113.55 115.25 3hkz h SER 20 Ca -0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 3hkz h SER 20 Cb 0.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3hkz h SER 20 CO 0.04 0.06 0.00 0.29 -0.53 0.00 0.00 176.83 176.69 3hkz n LYS 21 N -2.40 0.00 0.00 2.24 4.76 0.13 -5.06 118.16 117.83 3hkz n LYS 21 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 3hkz n LYS 21 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 3hkz n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hkz n GLY 22 N 0.00 2.15 0.00 0.72 0.00 -1.25 -4.59 105.19 102.21 3hkz n GLY 22 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3hkz n GLY 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hkz n LEU 23 N 0.00 0.00 -3.72 0.99 7.99 -1.26 -4.36 117.00 116.64 3hkz n LEU 23 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.76 3hkz n LEU 23 Cb 0.00 0.00 -0.17 0.00 -0.11 0.00 0.00 43.42 43.14 3hkz n LEU 23 CO 0.00 0.00 -0.36 -0.69 -1.51 0.00 0.00 177.39 174.83 3hkz s VAL 24 N 0.00 0.24 0.00 4.08 1.01 -1.26 -4.92 120.40 119.54 3hkz s VAL 24 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3hkz s VAL 24 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.82 3hkz s VAL 24 CO 0.00 0.07 0.00 0.54 0.00 0.00 0.00 175.10 175.71 3hkz n ARG 25 N 5.18 0.00 -0.24 2.72 1.74 -1.26 -4.78 116.66 120.01 3hkz n ARG 25 Ca -0.07 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3hkz n ARG 25 Cb 0.49 -0.00 0.22 0.00 -1.02 0.00 0.00 32.46 32.15 3hkz n ARG 25 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3hkz h GLN 26 N 0.00 1.05 0.00 5.56 1.08 -1.88 -2.46 115.11 118.46 3hkz h GLN 26 Ca 0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3hkz h GLN 26 Cb 0.99 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 3hkz h GLN 26 CO 0.00 0.69 -0.10 0.45 -0.95 0.00 0.00 178.83 178.92 3hkz h HIS 27 N 1.08 0.00 -0.92 2.96 3.86 -1.90 -3.40 115.15 116.83 3hkz h HIS 27 Ca 0.29 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.59 3hkz h HIS 27 Cb -0.13 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.23 3hkz h HIS 27 CO 0.00 0.00 -0.53 1.28 0.86 0.00 0.00 177.93 179.54 3hkz n LEU 28 N -2.74 -0.94 -3.43 2.43 4.32 -1.26 0.73 117.00 116.11 3hkz n LEU 28 Ca -0.01 1.63 -0.36 0.00 -0.02 0.00 0.00 56.01 57.25 3hkz n LEU 28 Cb 0.05 -0.22 -0.02 0.00 -1.62 0.00 0.00 43.42 41.60 3hkz n LEU 28 CO 0.02 -1.34 2.70 0.47 -1.22 0.00 0.00 177.39 178.02 3hkz n ASP 29 N -5.17 5.35 0.00 -1.43 8.00 -0.92 0.16 116.55 122.54 3hkz n ASP 29 Ca 0.02 -2.58 0.00 0.00 0.71 0.00 0.00 54.79 52.94 3hkz n ASP 29 Cb 0.25 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 3hkz n ASP 29 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3hkz n SER 30 N 5.08 0.00 -0.05 -2.24 2.88 -0.70 -4.80 113.62 113.79 3hkz n SER 30 Ca 0.57 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.98 3hkz n SER 30 Cb 0.27 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.66 3hkz n SER 30 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3hkz h TYR 31 N 0.00 0.40 0.00 0.66 3.20 0.17 -1.78 116.97 119.62 3hkz h TYR 31 Ca 0.00 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 61.76 3hkz h TYR 31 Cb 0.00 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 3hkz h TYR 31 CO 0.00 0.70 -0.00 -0.91 -1.64 0.00 0.00 178.16 176.31 3hkz h ASN 32 N -0.01 0.00 -0.02 -2.11 2.35 0.13 -1.09 115.58 114.82 3hkz h ASN 32 Ca 0.03 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3hkz h ASN 32 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3hkz h ASN 32 CO 0.03 0.00 -0.06 -0.78 -1.65 0.00 0.00 177.43 174.97 3hkz h ASP 33 N 0.00 0.10 -0.82 5.81 1.82 -1.73 -3.05 116.42 118.54 3hkz h ASP 33 Ca -0.00 -0.59 0.24 0.00 -0.39 0.00 0.00 57.03 56.29 3hkz h ASP 33 Cb 0.00 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 39.95 3hkz h ASP 33 CO 0.00 0.67 0.84 0.15 -1.61 0.00 0.00 179.24 179.29 3hkz h PHE 34 N -0.47 0.00 0.00 0.28 3.57 -0.30 -0.82 116.94 119.20 3hkz h PHE 34 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hkz h PHE 34 Cb 0.66 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3hkz h PHE 34 CO 0.13 0.00 -1.63 1.55 -2.23 0.00 0.00 178.31 176.13 3hkz n VAL 35 N -3.60 0.00 0.00 1.41 3.14 -0.80 -2.52 118.33 115.96 3hkz n VAL 35 Ca 0.18 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 3hkz n VAL 35 Cb 1.12 0.35 0.00 0.00 -1.06 0.00 0.00 33.84 34.25 3hkz n VAL 35 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3hkz n ARG 36 N -1.98 0.00 0.07 1.45 0.00 -0.35 -4.61 116.66 111.24 3hkz n ARG 36 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.88 3hkz n ARG 36 Cb 0.47 -0.17 0.44 0.00 0.00 0.00 0.00 32.46 33.20 3hkz n ARG 36 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3hkz h ASN 37 N 0.00 0.33 -4.43 6.15 2.35 -1.80 -3.47 115.58 114.71 3hkz h ASN 37 Ca 0.00 -0.03 -0.23 0.00 -0.55 0.00 0.00 56.30 55.49 3hkz h ASN 37 Cb 0.00 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3hkz h ASN 37 CO 0.00 0.32 -0.11 1.17 -1.65 0.00 0.00 177.43 177.16 3hkz n LYS 38 N -4.41 1.17 0.00 0.81 3.00 -0.97 -4.41 118.16 113.35 3hkz n LYS 38 Ca 0.01 -1.37 0.00 0.00 -0.00 0.00 0.00 58.31 56.95 3hkz n LYS 38 Cb 0.14 0.15 0.00 0.00 0.00 0.00 0.00 35.03 35.32 3hkz n LYS 38 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3hkz n LEU 39 N 0.00 0.00 -0.28 3.14 7.94 -1.05 -4.17 117.00 122.58 3hkz n LEU 39 Ca -0.01 0.00 0.29 0.00 -1.11 0.00 0.00 56.01 55.18 3hkz n LEU 39 Cb 0.25 0.00 0.66 0.00 0.53 0.00 0.00 43.42 44.85 3hkz n LEU 39 CO 0.15 0.00 1.27 -0.61 -1.11 0.00 0.00 177.39 177.09 3hkz h GLN 40 N 0.00 0.14 -0.73 1.96 5.75 -1.86 0.47 115.11 120.84 3hkz h GLN 40 Ca 0.00 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.57 3hkz h GLN 40 Cb 0.00 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.45 3hkz h GLN 40 CO 0.00 0.09 0.41 0.93 -2.65 0.00 0.00 178.83 177.61 3hkz h GLU 41 N 0.15 0.70 0.00 1.69 5.08 -1.77 -2.72 114.58 117.71 3hkz h GLU 41 Ca 0.54 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 3hkz h GLU 41 Cb 1.83 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.92 3hkz h GLU 41 CO -0.11 0.46 0.00 0.82 -1.00 0.00 0.00 179.01 179.19 3hkz h ILE 42 N 0.72 0.00 -0.30 3.13 2.04 -0.43 -3.06 117.51 119.62 3hkz h ILE 42 Ca 0.34 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3hkz h ILE 42 Cb 0.27 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3hkz h ILE 42 CO -0.22 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.55 3hkz n ILE 43 N -2.87 0.90 -2.58 -0.67 2.08 -0.90 -3.84 119.36 111.48 3hkz n ILE 43 Ca 0.04 -0.56 -0.32 0.00 0.56 0.00 0.00 62.75 62.48 3hkz n ILE 43 Cb 0.48 -0.12 -0.00 0.00 -0.75 0.00 0.00 39.64 39.25 3hkz n ILE 43 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3hkz n ASP 44 N 0.38 5.61 -0.05 4.38 10.43 -1.16 -3.99 116.55 132.15 3hkz n ASP 44 Ca 0.12 -3.72 0.11 0.00 2.57 0.00 0.00 54.79 53.87 3hkz n ASP 44 Cb 0.51 -0.73 0.01 0.00 1.84 0.00 0.00 41.12 42.75 3hkz n ASP 44 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3hkz n GLU 45 N -0.33 0.14 -0.94 -1.24 0.28 -1.25 -5.10 120.64 112.20 3hkz n GLU 45 Ca 0.40 -0.11 0.13 0.00 -0.16 0.00 0.00 57.16 57.42 3hkz n GLU 45 Cb 0.42 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.76 3hkz n GLU 45 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3hkz n GLN 46 N -1.33 -1.89 -0.54 3.44 6.02 -1.26 -4.95 117.38 116.87 3hkz n GLN 46 Ca 0.05 1.25 -0.19 0.00 -0.01 0.00 0.00 57.00 58.10 3hkz n GLN 46 Cb 0.34 -2.31 -0.01 0.00 1.02 0.00 0.00 30.24 29.28 3hkz n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hkz n GLY 47 N -2.85 -0.56 3.76 1.08 0.00 -1.23 -4.82 105.19 100.57 3hkz n GLY 47 Ca 0.01 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3hkz n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkz s GLU 48 N -0.31 4.35 0.07 1.61 0.41 -0.19 -4.76 118.70 119.89 3hkz s GLU 48 Ca 0.26 2.20 -0.29 0.00 -0.41 0.00 0.00 54.97 56.73 3hkz s GLU 48 Cb -0.38 -3.09 -0.15 0.00 -1.78 0.00 0.00 34.13 28.73 3hkz s GLU 48 CO 0.21 -0.22 0.69 -0.89 -0.49 0.00 0.00 175.26 174.56 3hkz n ILE 49 N 1.27 0.68 -0.06 -1.63 5.41 -1.26 -4.04 119.36 119.72 3hkz n ILE 49 Ca 0.02 -0.17 -0.04 0.00 1.00 0.00 0.00 62.75 63.56 3hkz n ILE 49 Cb 0.42 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.33 3hkz n ILE 49 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3hkz h PRO 50 N 1.77 0.00 -1.05 0.38 0.14 -1.90 -3.44 132.00 127.90 3hkz h PRO 50 Ca -0.34 0.00 -0.05 0.00 0.14 0.00 0.00 66.00 65.75 3hkz h PRO 50 Cb 1.17 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.29 3hkz h PRO 50 CO 0.50 0.00 -0.05 2.41 0.14 0.00 0.00 178.00 181.01 3hkz n THR 51 N -4.35 0.00 -3.57 1.56 -1.04 -1.26 -4.88 114.28 100.74 3hkz n THR 51 Ca -0.06 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.54 3hkz n THR 51 Cb 0.22 -0.32 -0.11 0.00 -1.82 0.00 0.00 70.33 68.30 3hkz n THR 51 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3hkz s GLU 52 N -1.55 2.91 0.15 -2.82 0.41 -1.26 -5.02 118.70 111.52 3hkz s GLU 52 Ca 0.00 -1.03 -0.29 0.00 -0.41 0.00 0.00 54.97 53.24 3hkz s GLU 52 Cb 0.00 -3.78 -0.03 0.00 -1.78 0.00 0.00 34.13 28.54 3hkz s GLU 52 CO 0.00 -0.69 1.56 0.82 -0.49 0.00 0.00 175.26 176.46 3hkz h ILE 53 N 5.80 0.05 -2.59 -1.63 2.04 -1.95 -3.11 117.51 116.11 3hkz h ILE 53 Ca -0.26 0.00 -0.58 0.00 1.00 0.00 0.00 64.86 65.02 3hkz h ILE 53 Cb 1.11 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3hkz h ILE 53 CO 0.68 0.00 1.29 -2.16 0.00 0.00 0.00 178.15 177.96 3hkz s PRO 54 N -5.74 3.38 -0.43 2.37 0.04 -1.26 -4.76 135.00 128.60 3hkz s PRO 54 Ca -0.14 1.57 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 3hkz s PRO 54 Cb 0.11 -4.20 -0.15 0.00 0.04 0.00 0.00 34.50 30.30 3hkz s PRO 54 CO 0.64 -1.80 0.94 0.41 0.04 0.00 0.00 177.00 177.22 3hkz n GLY 55 N 5.37 -0.22 3.14 0.56 0.00 -1.18 -4.66 105.19 108.20 3hkz n GLY 55 Ca 0.23 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 3hkz n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hkz s LEU 56 N 0.09 4.99 0.21 0.99 2.96 -1.23 0.17 118.68 126.86 3hkz s LEU 56 Ca 0.57 -1.84 0.03 0.00 -0.22 0.00 0.00 54.13 52.68 3hkz s LEU 56 Cb -0.37 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 3hkz s LEU 56 CO 0.25 -0.49 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.23 3hkz s LYS 57 N 1.19 1.26 -0.18 1.98 1.02 -1.03 -4.36 119.74 119.62 3hkz s LYS 57 Ca 0.05 -1.62 -0.01 0.00 0.02 0.00 0.00 55.97 54.41 3hkz s LYS 57 Cb -0.22 -0.58 0.05 0.00 -0.52 0.00 0.00 37.83 36.56 3hkz s LYS 57 CO -0.03 -0.07 -0.02 0.08 -0.92 0.00 0.00 175.35 174.39 3hkz s VAL 58 N -3.43 0.94 -0.04 3.17 1.01 -1.26 -1.70 120.40 119.09 3hkz s VAL 58 Ca 0.26 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 3hkz s VAL 58 Cb 0.05 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 3hkz s VAL 58 CO 0.07 -0.02 0.48 -0.13 0.00 0.00 0.00 175.10 175.49 3hkz s ARG 59 N 1.69 4.18 -0.14 2.72 0.52 0.28 -1.02 118.95 127.18 3hkz s ARG 59 Ca -0.01 0.50 -0.13 0.00 -0.52 0.00 0.00 55.73 55.58 3hkz s ARG 59 Cb -0.16 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 31.93 3hkz s ARG 59 CO -0.07 0.42 0.26 -0.51 0.02 0.00 0.00 175.30 175.42 3hkz s LEU 60 N -0.24 4.28 0.00 2.53 1.43 -1.26 0.95 118.68 126.36 3hkz s LEU 60 Ca 0.26 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3hkz s LEU 60 Cb -0.17 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.73 3hkz s LEU 60 CO 0.13 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.49 3hkz n GLY 61 N 3.07 1.47 3.16 -3.19 0.00 0.33 -4.88 105.19 105.15 3hkz n GLY 61 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 3hkz n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s LYS 62 N 0.47 1.13 -0.12 1.61 1.02 -1.26 -4.84 119.74 117.76 3hkz s LYS 62 Ca 0.00 -0.71 -0.09 0.00 0.02 0.00 0.00 55.97 55.19 3hkz s LYS 62 Cb 0.00 -1.15 -0.04 0.00 -0.52 0.00 0.00 37.83 36.12 3hkz s LYS 62 CO 0.00 0.30 0.19 0.42 -0.92 0.00 0.00 175.35 175.33 3hkz s ILE 63 N -0.64 5.41 0.31 2.17 1.01 -1.26 -1.82 121.20 126.38 3hkz s ILE 63 Ca 0.04 0.32 0.07 0.00 0.00 0.00 0.00 60.65 61.08 3hkz s ILE 63 Cb -0.07 -3.47 -0.06 0.00 0.01 0.00 0.00 42.46 38.86 3hkz s ILE 63 CO 0.01 0.56 -0.06 0.00 0.00 0.00 0.00 174.94 175.45 3hkz s ARG 64 N -0.62 1.67 0.52 2.79 3.03 -1.26 -4.81 118.95 120.27 3hkz s ARG 64 Ca 0.15 -1.87 0.08 0.00 2.03 0.00 0.00 55.73 56.13 3hkz s ARG 64 Cb -0.12 -1.34 0.05 0.00 -1.03 0.00 0.00 34.95 32.51 3hkz s ARG 64 CO 0.04 0.05 0.71 0.42 -1.13 0.00 0.00 175.30 175.39 3hkz s ILE 65 N -2.88 2.52 0.00 4.99 -1.09 -1.26 -1.05 121.20 122.42 3hkz s ILE 65 Ca 0.31 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 3hkz s ILE 65 Cb 0.04 -2.54 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 3hkz s ILE 65 CO 0.14 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.46 3hkz n GLY 66 N -2.11 4.62 3.83 6.18 0.00 -1.03 -4.83 105.19 111.85 3hkz n GLY 66 Ca 0.12 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 3hkz n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s LYS 67 N 2.29 2.39 -0.11 1.61 1.02 -1.26 -4.82 119.74 120.85 3hkz s LYS 67 Ca 0.00 -1.71 -0.29 0.00 0.02 0.00 0.00 55.97 53.99 3hkz s LYS 67 Cb 0.00 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 3hkz s LYS 67 CO 0.00 -0.22 1.40 -1.25 -0.92 0.00 0.00 175.35 174.36 3hkz s PRO 68 N -4.07 4.22 0.25 -1.68 0.04 -1.26 -4.25 135.00 128.26 3hkz s PRO 68 Ca 0.44 1.86 0.04 0.00 0.04 0.00 0.00 61.00 63.38 3hkz s PRO 68 Cb -0.00 -3.81 -0.05 0.00 0.04 0.00 0.00 34.50 30.67 3hkz s PRO 68 CO 0.25 -0.73 -0.01 1.03 0.04 0.00 0.00 177.00 177.58 3hkz s ARG 69 N 3.53 1.42 -0.01 4.56 0.52 -0.59 -2.71 118.95 125.68 3hkz s ARG 69 Ca 0.62 -1.73 -0.04 0.00 -0.52 0.00 0.00 55.73 54.05 3hkz s ARG 69 Cb -0.26 -0.78 0.00 0.00 0.52 0.00 0.00 34.95 34.43 3hkz s ARG 69 CO 0.21 -0.07 0.09 0.14 0.02 0.00 0.00 175.30 175.69 3hkz s VAL 70 N -3.30 0.06 -0.18 3.52 -7.23 -0.37 -4.27 120.40 108.61 3hkz s VAL 70 Ca 0.29 -0.47 -0.06 0.00 -1.81 0.00 0.00 61.98 59.93 3hkz s VAL 70 Cb 0.05 -0.29 0.01 0.00 0.56 0.00 0.00 36.38 36.71 3hkz s VAL 70 CO 0.10 -0.26 0.23 -1.14 -0.31 0.00 0.00 175.10 173.73 3hkz n ARG 71 N 2.09 -1.09 -2.47 4.82 0.63 -1.26 -3.37 116.66 116.01 3hkz n ARG 71 Ca -0.19 1.24 -0.23 0.00 -0.92 0.00 0.00 57.85 57.75 3hkz n ARG 71 Cb 0.57 -3.28 0.05 0.00 0.45 0.00 0.00 32.46 30.25 3hkz n ARG 71 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 3hkz s GLU 72 N -1.59 2.46 -0.75 -0.14 4.04 -1.26 -2.25 118.70 119.20 3hkz s GLU 72 Ca 0.10 -0.50 -0.03 0.00 0.04 0.00 0.00 54.97 54.58 3hkz s GLU 72 Cb -0.03 -2.35 0.00 0.00 0.02 0.00 0.00 34.13 31.78 3hkz s GLU 72 CO 0.34 -0.89 0.57 -1.13 -1.84 0.00 0.00 175.26 172.30 3hkz n SER 73 N -2.57 -4.52 0.00 0.83 3.41 -1.26 -4.77 113.62 104.74 3hkz n SER 73 Ca 0.07 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 3hkz n SER 73 Cb 0.60 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 3hkz n SER 73 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hkz n ASP 74 N -2.29 0.00 -2.91 4.04 -0.08 -1.26 -5.01 116.55 109.03 3hkz n ASP 74 Ca -0.29 -0.17 -0.00 0.00 -1.51 0.00 0.00 54.79 52.82 3hkz n ASP 74 Cb 0.66 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.11 3hkz n ASP 74 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3hkz n ARG 75 N 0.00 -2.21 0.00 -0.67 5.12 -1.26 -5.06 116.66 112.58 3hkz n ARG 75 Ca 0.00 1.98 0.00 0.00 -1.93 0.00 0.00 57.85 57.90 3hkz n ARG 75 Cb 0.04 -3.49 0.00 0.00 -1.16 0.00 0.00 32.46 27.85 3hkz n ARG 75 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hkz n GLY 76 N 1.04 0.68 3.46 -0.13 0.00 -1.24 -5.07 105.19 103.93 3hkz n GLY 76 Ca -0.02 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 3hkz n GLY 76 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hkz n GLU 77 N 0.00 -1.40 -4.42 1.61 -0.58 -0.95 -5.04 120.64 109.85 3hkz n GLU 77 Ca 0.00 0.94 -0.22 0.00 -0.42 0.00 0.00 57.16 57.46 3hkz n GLU 77 Cb 0.00 -4.33 -0.10 0.00 -0.57 0.00 0.00 31.44 26.44 3hkz n GLU 77 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3hkz s ARG 78 N -4.54 1.53 0.11 3.49 3.52 -1.22 -4.95 118.95 116.90 3hkz s ARG 78 Ca 0.18 -1.68 0.07 0.00 -0.13 0.00 0.00 55.73 54.17 3hkz s ARG 78 Cb -0.06 -1.52 -0.04 0.00 -1.56 0.00 0.00 34.95 31.77 3hkz s ARG 78 CO 0.82 0.28 -0.08 -1.21 -0.81 0.00 0.00 175.30 174.30 3hkz s GLU 79 N -3.49 2.19 -0.02 5.12 2.02 -1.26 -1.24 118.70 122.02 3hkz s GLU 79 Ca 0.26 -1.02 0.07 0.00 0.02 0.00 0.00 54.97 54.30 3hkz s GLU 79 Cb -0.04 -2.33 -0.02 0.00 0.10 0.00 0.00 34.13 31.85 3hkz s GLU 79 CO 0.11 0.50 -0.22 0.96 0.02 0.00 0.00 175.26 176.64 3hkz s ILE 80 N -1.29 1.71 0.27 -1.63 -4.36 -1.10 -4.99 121.20 109.81 3hkz s ILE 80 Ca 0.23 -0.93 -0.23 0.00 -0.26 0.00 0.00 60.65 59.45 3hkz s ILE 80 Cb -0.11 -1.42 -0.09 0.00 1.25 0.00 0.00 42.46 42.09 3hkz s ILE 80 CO 0.15 0.48 0.84 -0.55 0.24 0.00 0.00 174.94 176.10 3hkz s SER 81 N -0.51 7.23 0.33 4.36 0.15 -1.26 -4.88 113.70 119.13 3hkz s SER 81 Ca 0.08 1.65 0.01 0.00 0.70 0.00 0.00 55.95 58.39 3hkz s SER 81 Cb -0.08 -2.51 0.57 0.00 -1.71 0.00 0.00 66.02 62.29 3hkz s SER 81 CO -0.01 0.00 1.97 1.55 1.20 0.00 0.00 173.24 177.96 3hkz h PRO 82 N 3.39 0.87 0.00 5.44 0.13 -1.99 0.85 132.00 140.69 3hkz h PRO 82 Ca -0.47 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3hkz h PRO 82 Cb 1.19 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3hkz h PRO 82 CO 0.65 0.61 0.00 -1.33 -0.23 0.00 0.00 178.00 177.70 3hkz n MET 83 N -4.41 0.53 -0.05 0.86 2.81 -1.26 -1.68 117.12 113.93 3hkz n MET 83 Ca 0.06 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.90 3hkz n MET 83 Cb 0.07 -1.10 -0.02 0.00 -0.71 0.00 0.00 33.22 31.46 3hkz n MET 83 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3hkz n GLU 84 N -0.60 0.34 -0.31 0.03 1.02 0.28 -4.16 120.64 117.24 3hkz n GLU 84 Ca 0.03 0.13 0.35 0.00 -0.02 0.00 0.00 57.16 57.65 3hkz n GLU 84 Cb 0.01 -1.07 0.72 0.00 -0.02 0.00 0.00 31.44 31.08 3hkz n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hkz h ALA 85 N -1.09 3.08 0.17 0.62 0.00 -0.91 1.22 119.26 122.35 3hkz h ALA 85 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 3hkz h ALA 85 Cb 0.64 0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.54 3hkz h ALA 85 CO 0.00 -1.54 -1.03 0.00 0.00 0.00 0.00 179.25 176.68 3hkz h ARG 86 N 0.00 0.37 0.00 0.00 3.08 -1.57 1.36 114.38 117.62 3hkz h ARG 86 Ca 0.56 -0.63 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 3hkz h ARG 86 Cb 2.42 0.24 -0.02 0.00 0.08 0.00 0.00 29.97 32.69 3hkz h ARG 86 CO -0.01 1.30 -0.60 -0.07 -1.07 0.00 0.00 179.97 179.53 3hkz h LEU 87 N -0.22 0.00 -0.62 3.04 3.38 -0.18 -3.21 115.31 117.50 3hkz h LEU 87 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3hkz h LEU 87 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 3hkz h LEU 87 CO 0.19 0.60 -0.34 0.54 0.09 0.00 0.00 178.44 179.51 3hkz n ARG 88 N -3.71 0.91 -3.66 1.13 5.12 0.37 -4.96 116.66 111.85 3hkz n ARG 88 Ca -0.01 -0.62 -0.22 0.00 -1.93 0.00 0.00 57.85 55.07 3hkz n ARG 88 Cb 0.62 -1.49 0.05 0.00 -1.16 0.00 0.00 32.46 30.49 3hkz n ARG 88 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3hkz n ASN 89 N -0.50 -2.72 -4.56 0.55 5.03 -0.28 -4.62 115.26 108.16 3hkz n ASN 89 Ca 0.11 -0.73 -0.24 0.00 0.87 0.00 0.00 54.58 54.59 3hkz n ASN 89 Cb 0.38 -4.40 -0.09 0.00 -1.02 0.00 0.00 39.78 34.65 3hkz n ASN 89 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3hkz s LEU 90 N -6.80 2.89 0.00 3.41 1.02 0.45 -4.18 118.68 115.47 3hkz s LEU 90 Ca 0.20 -0.79 0.31 0.00 0.02 0.00 0.00 54.13 53.87 3hkz s LEU 90 Cb -0.10 -1.45 1.81 0.00 0.02 0.00 0.00 46.19 46.47 3hkz s LEU 90 CO 0.79 0.04 2.16 0.41 0.02 0.00 0.00 176.35 179.76 3hkz n THR 91 N -0.57 0.00 -3.83 5.49 -1.04 -1.26 -3.05 114.28 110.02 3hkz n THR 91 Ca -0.07 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.64 3hkz n THR 91 Cb 0.59 -0.52 0.01 0.00 -1.82 0.00 0.00 70.33 68.58 3hkz n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkz n TYR 92 N -1.03 -1.72 -4.45 -1.42 9.36 -1.24 -4.49 117.16 112.18 3hkz n TYR 92 Ca 0.22 0.56 -0.27 0.00 3.32 0.00 0.00 57.90 61.73 3hkz n TYR 92 Cb 0.12 -2.58 -0.04 0.00 -0.63 0.00 0.00 39.34 36.21 3hkz n TYR 92 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3hkz n ALA 93 N -3.22 0.46 -2.45 2.98 0.00 -1.26 -2.33 120.51 114.71 3hkz n ALA 93 Ca -0.25 -1.96 -0.12 0.00 0.00 0.00 0.00 53.44 51.10 3hkz n ALA 93 Cb 0.62 1.01 -0.11 0.00 0.00 0.00 0.00 19.45 20.97 3hkz n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkz s ALA 94 N -2.74 0.93 0.34 0.00 0.00 0.45 -1.54 121.76 119.20 3hkz s ALA 94 Ca 0.07 -1.16 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 3hkz s ALA 94 Cb -0.01 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.13 3hkz s ALA 94 CO 0.04 -0.11 0.70 -1.25 0.00 0.00 0.00 175.76 175.14 3hkz s PRO 95 N -2.93 3.86 -0.40 0.00 0.04 -1.26 0.31 135.00 134.62 3hkz s PRO 95 Ca 0.04 0.48 -0.16 0.00 0.04 0.00 0.00 61.00 61.40 3hkz s PRO 95 Cb -0.01 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 32.08 3hkz s PRO 95 CO -0.02 0.11 0.37 -0.51 0.04 0.00 0.00 177.00 177.00 3hkz s LEU 96 N -3.32 4.87 0.00 -3.56 1.43 -0.98 -2.46 118.68 114.66 3hkz s LEU 96 Ca 0.51 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3hkz s LEU 96 Cb -0.10 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.82 3hkz s LEU 96 CO 0.24 -0.49 0.00 0.79 0.23 0.00 0.00 176.35 177.12 3hkz n TRP 97 N 5.40 0.00 -0.99 0.29 7.02 -0.22 -0.86 117.44 128.08 3hkz n TRP 97 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 3hkz n TRP 97 Cb 0.48 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 3hkz n TRP 97 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 3hkz n LEU 98 N 0.00 -3.73 -4.10 -0.99 -0.00 -1.25 -3.06 117.00 103.87 3hkz n LEU 98 Ca 0.00 1.34 -0.36 0.00 -0.00 0.00 0.00 56.01 56.99 3hkz n LEU 98 Cb 0.00 -1.41 -0.08 0.00 -0.00 0.00 0.00 43.42 41.93 3hkz n LEU 98 CO 0.00 -0.54 0.21 -0.89 -0.00 0.00 0.00 177.39 176.17 3hkz s THR 99 N -0.68 4.07 0.47 1.96 2.01 -0.76 -0.99 115.64 121.72 3hkz s THR 99 Ca 0.00 -3.52 -0.21 0.00 0.31 0.00 0.00 61.69 58.27 3hkz s THR 99 Cb 0.00 -3.57 -0.08 0.00 0.01 0.00 0.00 72.50 68.85 3hkz s THR 99 CO 0.00 -1.00 1.06 -0.04 -0.69 0.00 0.00 174.62 173.94 3hkz s MET 100 N -0.84 3.85 -0.15 4.92 -1.94 -1.21 0.12 119.30 124.05 3hkz s MET 100 Ca 0.23 1.45 -0.00 0.00 -1.71 0.00 0.00 55.69 55.65 3hkz s MET 100 Cb -0.12 -2.22 0.04 0.00 2.01 0.00 0.00 34.83 34.54 3hkz s MET 100 CO -0.09 -0.40 -0.06 0.42 -0.01 0.00 0.00 175.02 174.87 3hkz s ILE 101 N -1.85 1.09 0.61 2.53 1.01 0.27 -4.08 121.20 120.78 3hkz s ILE 101 Ca 0.65 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 60.64 3hkz s ILE 101 Cb -0.19 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 3hkz s ILE 101 CO 0.23 0.21 1.04 -2.84 0.00 0.00 0.00 174.94 173.58 3hkz s PRO 102 N 1.65 3.37 -0.46 2.79 0.02 -1.26 -0.55 135.00 140.56 3hkz s PRO 102 Ca 0.02 1.02 0.06 0.00 0.02 0.00 0.00 61.00 62.12 3hkz s PRO 102 Cb -0.14 -2.05 0.23 0.00 0.02 0.00 0.00 34.50 32.56 3hkz s PRO 102 CO -0.08 -0.75 0.71 0.28 -0.33 0.00 0.00 177.00 176.82 3hkz n VAL 103 N -2.36 -0.31 -0.76 3.83 0.31 -0.69 -3.52 118.33 114.83 3hkz n VAL 103 Ca 0.08 -2.26 -0.07 0.00 -0.01 0.00 0.00 64.34 62.08 3hkz n VAL 103 Cb 0.53 0.18 -0.10 0.00 -0.91 0.00 0.00 33.84 33.55 3hkz n VAL 103 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hkz n GLU 104 N 1.96 1.52 0.00 5.55 1.02 -1.26 -2.45 120.64 126.97 3hkz n GLU 104 Ca 0.16 -0.56 0.00 0.00 -0.02 0.00 0.00 57.16 56.74 3hkz n GLU 104 Cb 0.58 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 3hkz n GLU 104 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3hkz n ASN 105 N 2.11 0.00 -3.73 1.62 2.85 0.45 -4.82 115.26 113.75 3hkz n ASN 105 Ca 0.24 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.69 3hkz n ASN 105 Cb 0.72 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.72 3hkz n ASN 105 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3hkz s ASN 106 N -0.02 -0.15 -0.05 1.20 4.22 -1.26 -4.92 114.94 113.96 3hkz s ASN 106 Ca 0.00 -0.37 -0.30 0.00 -2.14 0.00 0.00 52.86 50.05 3hkz s ASN 106 Cb 0.00 0.44 -0.04 0.00 1.28 0.00 0.00 41.25 42.93 3hkz s ASN 106 CO 0.00 -0.81 1.30 -0.51 -2.04 0.00 0.00 177.10 175.04 3hkz s ILE 107 N -3.13 4.02 0.00 0.54 2.07 -1.26 -4.45 121.20 119.00 3hkz s ILE 107 Ca 0.13 1.36 0.00 0.00 -1.41 0.00 0.00 60.65 60.73 3hkz s ILE 107 Cb -0.00 -3.87 0.00 0.00 0.13 0.00 0.00 42.46 38.71 3hkz s ILE 107 CO 0.01 -0.02 0.00 -1.84 -1.91 0.00 0.00 174.94 171.19 3hkz n GLU 108 N 5.49 0.00 0.00 3.50 -0.00 -1.23 -5.04 120.64 123.36 3hkz n GLU 108 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.28 3hkz n GLU 108 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.89 3hkz n GLU 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hkz n ALA 109 N -3.00 0.00 -2.05 -1.84 0.00 -1.26 -4.40 120.51 107.96 3hkz n ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hkz n ALA 109 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hkz n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hkz n GLU 110 N 0.00 -5.57 0.02 0.00 1.02 -1.26 -4.84 120.64 110.00 3hkz n GLU 110 Ca 0.00 3.95 -0.01 0.00 -0.02 0.00 0.00 57.16 61.08 3hkz n GLU 110 Cb 0.00 -4.25 -0.01 0.00 -0.02 0.00 0.00 31.44 27.16 3hkz n GLU 110 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3hkz h PRO 111 N 4.20 -0.08 -1.13 3.49 0.11 -1.88 -3.50 132.00 133.21 3hkz h PRO 111 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3hkz h PRO 111 Cb 0.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3hkz h PRO 111 CO 0.00 -0.05 0.00 -1.91 -0.21 0.00 0.00 178.00 175.83 3hkz n GLU 112 N -3.08 0.00 -1.66 1.05 2.13 -1.26 -4.42 120.64 113.39 3hkz n GLU 112 Ca -0.01 0.19 -0.16 0.00 0.66 0.00 0.00 57.16 57.84 3hkz n GLU 112 Cb 0.03 -0.56 -0.07 0.00 0.27 0.00 0.00 31.44 31.11 3hkz n GLU 112 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3hkz s GLU 113 N -2.08 1.77 -0.20 5.31 2.02 -1.26 -3.35 118.70 120.91 3hkz s GLU 113 Ca 0.00 0.32 -0.21 0.00 0.02 0.00 0.00 54.97 55.09 3hkz s GLU 113 Cb 0.00 -4.84 -0.02 0.00 0.10 0.00 0.00 34.13 29.36 3hkz s GLU 113 CO 0.00 -4.28 0.65 0.08 0.02 0.00 0.00 175.26 171.73 3hkz s VAL 114 N 13.97 5.00 0.29 2.63 1.01 -0.16 -4.93 120.40 138.21 3hkz s VAL 114 Ca 0.88 1.22 -0.25 0.00 0.00 0.00 0.00 61.98 63.84 3hkz s VAL 114 Cb -0.12 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 3hkz s VAL 114 CO 0.06 0.09 0.88 -0.31 0.00 0.00 0.00 175.10 175.83 3hkz s TYR 115 N 1.99 3.70 -0.01 5.22 1.51 -1.17 -4.08 117.35 124.51 3hkz s TYR 115 Ca 0.29 1.68 -0.02 0.00 -1.01 0.00 0.00 57.07 58.02 3hkz s TYR 115 Cb -0.16 -2.84 -0.01 0.00 -0.11 0.00 0.00 41.96 38.84 3hkz s TYR 115 CO 0.10 0.27 -0.04 -0.89 -1.11 0.00 0.00 175.55 173.88 3hkz n ILE 116 N 0.69 0.40 -3.08 2.71 2.08 -0.04 -5.00 119.36 117.13 3hkz n ILE 116 Ca 0.00 0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.37 3hkz n ILE 116 Cb 0.50 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.82 3hkz n ILE 116 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hkz n GLY 117 N 2.92 5.92 2.86 7.39 0.00 -1.26 -4.27 105.19 118.76 3hkz n GLY 117 Ca -0.05 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.07 3hkz n GLY 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkz s ASP 118 N 0.85 2.46 -0.25 1.61 1.11 -1.26 -2.32 116.67 118.87 3hkz s ASP 118 Ca 0.00 -0.49 -0.17 0.00 0.18 0.00 0.00 52.55 52.07 3hkz s ASP 118 Cb 0.00 -0.78 -0.03 0.00 1.07 0.00 0.00 42.92 43.18 3hkz s ASP 118 CO 0.00 -0.18 0.48 -0.22 1.18 0.00 0.00 175.17 176.43 3hkz s LEU 119 N 1.74 4.07 0.27 1.23 2.96 0.93 -4.71 118.68 125.16 3hkz s LEU 119 Ca 0.02 0.50 -0.31 0.00 -0.22 0.00 0.00 54.13 54.13 3hkz s LEU 119 Cb -0.14 -2.62 -0.12 0.00 0.50 0.00 0.00 46.19 43.81 3hkz s LEU 119 CO -0.07 -0.24 1.65 -2.65 -1.32 0.00 0.00 176.35 173.71 3hkz n PRO 120 N 5.32 2.75 -3.87 0.98 -0.02 -1.26 -0.41 135.00 138.49 3hkz n PRO 120 Ca -0.05 0.98 -0.35 0.00 -2.02 0.00 0.00 63.50 62.06 3hkz n PRO 120 Cb 0.50 -2.79 -0.09 0.00 -0.02 0.00 0.00 33.50 31.10 3hkz n PRO 120 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hkz s ILE 121 N 0.40 5.15 0.31 4.25 -1.09 -0.98 -4.85 121.20 124.38 3hkz s ILE 121 Ca 0.68 0.09 -0.26 0.00 -2.23 0.00 0.00 60.65 58.93 3hkz s ILE 121 Cb -0.50 -3.32 -0.10 0.00 -1.58 0.00 0.00 42.46 36.96 3hkz s ILE 121 CO 0.43 0.47 0.93 -0.32 -1.23 0.00 0.00 174.94 175.22 3hkz s MET 122 N 0.22 4.60 0.73 2.79 1.75 -1.26 -4.42 119.30 123.72 3hkz s MET 122 Ca 0.07 1.32 -0.12 0.00 -1.25 0.00 0.00 55.69 55.71 3hkz s MET 122 Cb -0.12 -2.86 0.04 0.00 2.84 0.00 0.00 34.83 34.73 3hkz s MET 122 CO -0.01 0.32 1.09 -0.51 -0.65 0.00 0.00 175.02 175.26 3hkz s LEU 123 N -1.94 3.13 0.00 4.11 1.02 0.13 -3.06 118.68 122.07 3hkz s LEU 123 Ca 0.49 1.83 0.00 0.00 0.02 0.00 0.00 54.13 56.46 3hkz s LEU 123 Cb -0.19 -4.52 0.00 0.00 0.02 0.00 0.00 46.19 41.49 3hkz s LEU 123 CO 0.25 -1.85 0.00 0.29 0.02 0.00 0.00 176.35 175.06 3hkz n LYS 124 N -3.21 -1.64 -2.41 1.70 5.02 -1.26 -2.77 118.16 113.59 3hkz n LYS 124 Ca 0.09 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.04 3hkz n LYS 124 Cb 0.53 -2.90 -0.02 0.00 -0.02 0.00 0.00 35.03 32.62 3hkz n LYS 124 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hkz s SER 125 N -0.31 6.13 0.12 4.39 1.04 -1.17 -4.49 113.70 119.40 3hkz s SER 125 Ca 0.00 1.96 -0.23 0.00 0.48 0.00 0.00 55.95 58.17 3hkz s SER 125 Cb 0.00 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 3hkz s SER 125 CO 0.00 -0.93 1.22 0.00 0.98 0.00 0.00 173.24 174.50 3hkz n ALA 126 N -1.20 -0.47 0.22 5.32 0.00 -1.26 0.11 120.51 123.23 3hkz n ALA 126 Ca 0.10 0.62 0.07 0.00 0.00 0.00 0.00 53.44 54.23 3hkz n ALA 126 Cb 0.52 -0.05 0.50 0.00 0.00 0.00 0.00 19.45 20.41 3hkz n ALA 126 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3hkz h ILE 127 N 0.00 0.91 -2.63 0.00 6.09 -1.92 -3.41 117.51 116.54 3hkz h ILE 127 Ca 0.12 -1.00 -0.53 0.00 -1.37 0.00 0.00 64.86 62.07 3hkz h ILE 127 Cb 0.30 1.59 0.03 0.00 0.47 0.00 0.00 36.82 39.20 3hkz h ILE 127 CO -0.69 0.26 1.04 -0.62 -3.07 0.00 0.00 178.15 175.07 3hkz s ASP 128 N -6.55 6.54 0.54 2.19 3.68 0.12 -4.88 116.67 118.31 3hkz s ASP 128 Ca -0.02 2.58 0.32 0.00 2.13 0.00 0.00 52.55 57.56 3hkz s ASP 128 Cb 0.13 -2.56 1.49 0.00 -1.45 0.00 0.00 42.92 40.53 3hkz s ASP 128 CO 0.66 -0.93 1.88 -0.65 0.13 0.00 0.00 175.17 176.26 3hkz h PRO 129 N 8.41 0.00 -0.79 4.34 0.11 -1.81 -0.67 132.00 141.59 3hkz h PRO 129 Ca -0.44 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.68 3hkz h PRO 129 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3hkz h PRO 129 CO 0.94 0.00 0.52 0.82 -0.21 0.00 0.00 178.00 180.07 3hkz h ILE 130 N 0.00 1.19 -0.52 4.15 2.04 -1.89 -3.24 117.51 119.23 3hkz h ILE 130 Ca 0.43 -0.36 0.15 0.00 1.00 0.00 0.00 64.86 66.09 3hkz h ILE 130 Cb 1.76 0.04 -0.10 0.00 -0.74 0.00 0.00 36.82 37.78 3hkz h ILE 130 CO -0.00 0.19 0.05 -0.24 0.00 0.00 0.00 178.15 178.15 3hkz n SER 131 N -4.42 -0.03 -2.80 1.72 2.88 -0.26 -1.57 113.62 109.14 3hkz n SER 131 Ca 0.09 0.89 -0.29 0.00 -1.33 0.00 0.00 58.87 58.22 3hkz n SER 131 Cb 0.04 -0.34 -0.01 0.00 -0.75 0.00 0.00 64.21 63.15 3hkz n SER 131 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hkz n GLN 132 N -4.56 3.47 -4.13 -1.46 1.13 -1.22 -4.99 117.38 105.62 3hkz n GLN 132 Ca 0.13 -4.57 -0.31 0.00 -1.94 0.00 0.00 57.00 50.31 3hkz n GLN 132 Cb 0.44 -2.27 -0.07 0.00 0.11 0.00 0.00 30.24 28.45 3hkz n GLN 132 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3hkz s TYR 133 N -3.64 3.15 0.57 1.08 1.51 -0.61 -5.11 117.35 114.29 3hkz s TYR 133 Ca 0.48 0.09 -0.15 0.00 -1.01 0.00 0.00 57.07 56.47 3hkz s TYR 133 Cb 0.34 -1.64 -0.05 0.00 -0.11 0.00 0.00 41.96 40.50 3hkz s TYR 133 CO -0.19 0.51 1.03 -0.08 -1.11 0.00 0.00 175.55 175.70 3hkz s THR 134 N -1.26 4.19 0.13 -0.71 -1.32 -1.26 -4.85 115.64 110.57 3hkz s THR 134 Ca 0.25 1.00 -0.22 0.00 -1.21 0.00 0.00 61.69 61.51 3hkz s THR 134 Cb -0.12 -3.56 -0.01 0.00 -1.51 0.00 0.00 72.50 67.30 3hkz s THR 134 CO 0.17 -0.66 1.19 -0.11 -2.21 0.00 0.00 174.62 173.00 3hkz n LEU 135 N -1.98 -0.76 0.16 9.08 0.00 -1.26 0.11 117.00 122.36 3hkz n LEU 135 Ca 0.08 1.37 0.16 0.00 0.00 0.00 0.00 56.01 57.61 3hkz n LEU 135 Cb 0.53 -0.20 0.75 0.00 0.00 0.00 0.00 43.42 44.50 3hkz n LEU 135 CO 0.48 -1.14 1.14 0.44 0.00 0.00 0.00 177.39 178.32 3hkz h ASP 136 N 0.00 0.00 1.23 1.96 3.32 -2.01 -1.57 116.42 119.34 3hkz h ASP 136 Ca 0.15 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 3hkz h ASP 136 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3hkz h ASP 136 CO -0.73 0.00 -0.32 0.11 -1.72 0.00 0.00 179.24 176.57 3hkz h LYS 137 N 0.00 0.00 0.06 3.56 1.57 0.44 -3.23 116.57 118.98 3hkz h LYS 137 Ca 0.11 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.62 3hkz h LYS 137 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3hkz h LYS 137 CO -0.00 0.32 -1.38 -0.07 -0.57 0.00 0.00 179.45 177.76 3hkz h LEU 138 N 0.00 0.20 -0.70 2.94 4.07 -0.93 -3.01 115.31 117.88 3hkz h LEU 138 Ca -0.00 -0.27 0.10 0.00 0.08 0.00 0.00 57.88 57.79 3hkz h LEU 138 Cb 1.02 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.62 3hkz h LEU 138 CO 0.04 1.22 0.32 0.40 -1.08 0.00 0.00 178.44 179.34 3hkz h ILE 139 N 0.04 0.79 -0.44 1.22 2.04 -1.60 0.62 117.51 120.17 3hkz h ILE 139 Ca -0.17 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.55 3hkz h ILE 139 Cb 1.94 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 3hkz h ILE 139 CO 0.14 0.10 0.20 -0.33 0.00 0.00 0.00 178.15 178.25 3hkz h GLU 140 N 0.52 0.39 -0.80 2.37 5.08 -1.57 -1.68 114.58 118.90 3hkz h GLU 140 Ca 0.36 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.81 3hkz h GLU 140 Cb 0.43 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 3hkz h GLU 140 CO -0.31 0.26 0.42 0.82 -1.00 0.00 0.00 179.01 179.20 3hkz h ILE 141 N 0.40 0.82 0.00 3.13 2.04 -1.08 -3.46 117.51 119.35 3hkz h ILE 141 Ca 0.19 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3hkz h ILE 141 Cb 0.13 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 3hkz h ILE 141 CO -0.16 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.72 3hkz n GLY 142 N -1.32 1.91 3.38 5.37 0.00 0.09 -4.83 105.19 109.80 3hkz n GLY 142 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 3hkz n GLY 142 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hkz s GLU 143 N -0.10 1.55 -0.14 1.61 -1.05 -1.02 -4.89 118.70 114.65 3hkz s GLU 143 Ca 0.00 -1.86 -0.29 0.00 -0.15 0.00 0.00 54.97 52.67 3hkz s GLU 143 Cb 0.00 -0.51 -0.01 0.00 -0.44 0.00 0.00 34.13 33.17 3hkz s GLU 143 CO 0.00 -0.27 1.16 0.16 0.95 0.00 0.00 175.26 177.26 3hkz s ASP 144 N -3.40 7.05 0.52 0.83 3.84 -1.26 -3.99 116.67 120.26 3hkz s ASP 144 Ca 0.36 1.64 0.29 0.00 -0.00 0.00 0.00 52.55 54.84 3hkz s ASP 144 Cb 0.08 -2.55 1.40 0.00 -1.38 0.00 0.00 42.92 40.47 3hkz s ASP 144 CO 0.15 -0.65 2.03 1.55 -0.00 0.00 0.00 175.17 178.25 3hkz h PRO 145 N 7.67 0.00 -0.00 2.11 0.13 -1.91 -0.71 132.00 139.28 3hkz h PRO 145 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hkz h PRO 145 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3hkz h PRO 145 CO 0.93 0.11 -0.14 1.63 -0.23 0.00 0.00 178.00 180.30 3hkz n LYS 146 N -3.43 0.45 -1.66 0.86 5.02 -1.26 -4.86 118.16 113.27 3hkz n LYS 146 Ca -0.01 -0.15 -0.46 0.00 -2.02 0.00 0.00 58.31 55.67 3hkz n LYS 146 Cb 0.28 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 3hkz n LYS 146 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hkz n ASP 147 N -1.15 2.92 0.15 4.39 4.64 -0.28 -4.91 116.55 122.32 3hkz n ASP 147 Ca 0.12 1.10 0.03 0.00 -1.38 0.00 0.00 54.79 54.66 3hkz n ASP 147 Cb 0.30 -1.41 0.05 0.00 -1.04 0.00 0.00 41.12 39.01 3hkz n ASP 147 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3hkz h PRO 148 N 5.51 0.00 -3.25 -0.67 0.13 -1.89 -3.50 132.00 128.34 3hkz h PRO 148 Ca -0.45 0.00 0.38 0.00 -0.87 0.00 0.00 66.00 65.06 3hkz h PRO 148 Cb 1.26 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.28 3hkz h PRO 148 CO 0.86 0.45 -0.67 0.41 -0.23 0.00 0.00 178.00 178.82 3hkz n GLY 149 N 1.19 -2.14 0.00 1.56 0.00 -1.26 -4.82 105.19 99.72 3hkz n GLY 149 Ca 0.02 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3hkz n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkz n GLY 150 N -4.22 2.30 3.96 -0.02 0.00 -1.11 -4.94 105.19 101.15 3hkz n GLY 150 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 3hkz n GLY 150 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hkz s TYR 151 N -2.12 3.19 0.31 1.61 -0.85 -1.26 -4.80 117.35 113.43 3hkz s TYR 151 Ca 0.00 -0.16 0.07 0.00 -0.52 0.00 0.00 57.07 56.46 3hkz s TYR 151 Cb 0.00 -1.80 -0.03 0.00 0.38 0.00 0.00 41.96 40.51 3hkz s TYR 151 CO 0.00 0.19 0.32 -0.06 -1.52 0.00 0.00 175.55 174.47 3hkz s PHE 152 N -2.13 3.06 -0.32 -3.49 0.08 -0.89 -0.69 117.98 113.60 3hkz s PHE 152 Ca 0.40 -0.21 0.03 0.00 0.12 0.00 0.00 56.93 57.28 3hkz s PHE 152 Cb -0.09 -1.72 0.09 0.00 -0.57 0.00 0.00 43.02 40.73 3hkz s PHE 152 CO 0.29 0.25 0.03 0.42 -0.10 0.00 0.00 175.22 176.11 3hkz s ILE 153 N -2.20 2.07 -0.05 0.64 1.01 -1.26 -2.58 121.20 118.83 3hkz s ILE 153 Ca 0.39 -2.09 -0.12 0.00 0.00 0.00 0.00 60.65 58.83 3hkz s ILE 153 Cb -0.07 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 3hkz s ILE 153 CO 0.27 -0.50 0.31 0.68 0.00 0.00 0.00 174.94 175.70 3hkz s VAL 154 N 1.03 5.22 -1.17 2.92 -7.23 -1.26 -3.63 120.40 116.27 3hkz s VAL 154 Ca 0.07 0.60 -0.01 0.00 -1.81 0.00 0.00 61.98 60.83 3hkz s VAL 154 Cb -0.19 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.16 3hkz s VAL 154 CO -0.09 0.58 0.03 0.59 -0.31 0.00 0.00 175.10 175.90 3hkz n ASN 155 N 2.01 0.57 0.00 4.85 3.02 -1.21 -1.25 115.26 123.25 3hkz n ASN 155 Ca -0.16 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 3hkz n ASN 155 Cb 0.53 -1.18 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 3hkz n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hkz n GLY 156 N -2.09 0.43 0.10 7.41 0.00 -1.17 -4.57 105.19 105.30 3hkz n GLY 156 Ca -0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 3hkz n GLY 156 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hkz h SER 157 N 0.00 0.25 -1.56 1.61 4.64 -1.50 -3.43 113.55 113.57 3hkz h SER 157 Ca 0.00 -0.87 0.00 0.00 -0.47 0.00 0.00 61.79 60.45 3hkz h SER 157 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3hkz h SER 157 CO 0.00 1.38 0.00 -0.62 -0.87 0.00 0.00 176.83 176.72 3hkz n GLU 158 N -4.23 0.00 -3.37 4.77 1.02 -1.26 -4.82 120.64 112.76 3hkz n GLU 158 Ca -0.19 0.26 -0.35 0.00 -0.02 0.00 0.00 57.16 56.86 3hkz n GLU 158 Cb 0.74 -0.59 -0.06 0.00 -0.02 0.00 0.00 31.44 31.51 3hkz n GLU 158 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3hkz s ARG 159 N -0.28 3.97 -0.05 3.49 3.00 -1.07 -1.59 118.95 126.42 3hkz s ARG 159 Ca 0.00 0.47 0.05 0.00 0.00 0.00 0.00 55.73 56.25 3hkz s ARG 159 Cb 0.00 -2.93 -0.01 0.00 0.00 0.00 0.00 34.95 32.01 3hkz s ARG 159 CO 0.00 0.48 -0.21 0.54 0.00 0.00 0.00 175.30 176.11 3hkz s VAL 160 N -1.46 1.74 -0.66 3.52 0.11 0.11 -2.09 120.40 121.66 3hkz s VAL 160 Ca 0.38 -0.88 -0.26 0.00 -2.93 0.00 0.00 61.98 58.28 3hkz s VAL 160 Cb -0.15 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 3hkz s VAL 160 CO 0.19 0.49 1.97 -0.63 -3.33 0.00 0.00 175.10 173.79 3hkz s ILE 161 N -0.01 3.31 -0.16 7.04 -1.09 -1.26 -0.61 121.20 128.42 3hkz s ILE 161 Ca -0.05 0.06 -0.23 0.00 -2.23 0.00 0.00 60.65 58.20 3hkz s ILE 161 Cb -0.13 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 3hkz s ILE 161 CO 0.03 -0.77 0.73 0.54 -1.23 0.00 0.00 174.94 174.24 3hkz s VAL 162 N 9.90 4.97 -0.41 2.92 0.11 0.97 -4.55 120.40 134.31 3hkz s VAL 162 Ca 0.73 1.42 -0.42 0.00 -2.93 0.00 0.00 61.98 60.77 3hkz s VAL 162 Cb -0.12 -4.04 -0.17 0.00 -1.53 0.00 0.00 36.38 30.52 3hkz s VAL 162 CO 0.17 0.10 1.88 1.07 -3.33 0.00 0.00 175.10 174.99 3hkz n THR 163 N 4.55 0.12 -2.06 5.04 5.66 -1.25 -4.79 114.28 121.55 3hkz n THR 163 Ca 0.01 -0.06 -0.28 0.00 -3.05 0.00 0.00 64.05 60.67 3hkz n THR 163 Cb 0.50 -0.89 0.12 0.00 -1.55 0.00 0.00 70.33 68.50 3hkz n THR 163 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3hkz s GLN 164 N 4.48 1.54 -0.36 1.09 -1.52 -1.07 -2.22 119.66 121.60 3hkz s GLN 164 Ca 1.08 -0.28 -0.00 0.00 -1.95 0.00 0.00 55.36 54.21 3hkz s GLN 164 Cb -1.28 -2.01 0.12 0.00 -0.22 0.00 0.00 33.01 29.63 3hkz s GLN 164 CO 0.68 -1.77 0.17 -2.00 -0.25 0.00 0.00 175.29 172.12 3hkz s GLU 165 N -5.56 0.78 1.04 2.91 2.12 -0.71 -2.61 118.70 116.67 3hkz s GLU 165 Ca 0.66 -1.34 -0.13 0.00 0.36 0.00 0.00 54.97 54.51 3hkz s GLU 165 Cb -0.08 -1.82 0.14 0.00 0.26 0.00 0.00 34.13 32.63 3hkz s GLU 165 CO 0.49 -1.10 0.64 -0.25 -0.54 0.00 0.00 175.26 174.50 3hkz n ASP 166 N 4.32 -1.49 0.00 -1.70 8.00 -0.73 -1.62 116.55 123.32 3hkz n ASP 166 Ca 0.04 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.66 3hkz n ASP 166 Cb 0.39 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 3hkz n ASP 166 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hkz n LEU 167 N -2.99 0.09 -3.64 0.64 4.77 -1.26 -4.04 117.00 110.57 3hkz n LEU 167 Ca 0.06 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 3hkz n LEU 167 Cb 0.55 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 3hkz n LEU 167 CO 0.52 0.00 0.71 0.00 -1.33 0.00 0.00 177.39 177.29 3hkz s ALA 168 N -2.23 -1.95 0.08 -1.18 0.00 -1.26 -3.03 121.76 112.18 3hkz s ALA 168 Ca 0.00 1.88 -0.21 0.00 0.00 0.00 0.00 51.96 53.63 3hkz s ALA 168 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 23.12 21.66 3hkz s ALA 168 CO 0.00 -0.25 0.64 -1.25 0.00 0.00 0.00 175.76 174.90 3hkz s PRO 169 N 0.20 4.34 5.68 0.00 0.04 -1.26 -4.48 135.00 139.51 3hkz s PRO 169 Ca 0.03 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.93 3hkz s PRO 169 Cb -0.05 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3hkz s PRO 169 CO -0.05 0.54 0.00 0.09 0.04 0.00 0.00 177.00 177.62 3hkz n ASN 170 N 1.98 0.00 -0.39 6.66 3.02 0.90 -4.95 115.26 122.49 3hkz n ASN 170 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 3hkz n ASN 170 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 3hkz n ASN 170 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3hkz n ARG 171 N 12.48 0.00 -3.08 3.52 1.85 -1.26 -3.31 116.66 126.87 3hkz n ARG 171 Ca 0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.45 3hkz n ARG 171 Cb 0.00 -0.20 -0.06 0.00 -1.05 0.00 0.00 32.46 31.16 3hkz n ARG 171 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3hkz s VAL 172 N -1.28 4.99 -0.12 8.89 1.01 -1.26 -4.58 120.40 128.04 3hkz s VAL 172 Ca 0.00 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.24 3hkz s VAL 172 Cb 0.00 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.42 3hkz s VAL 172 CO 0.00 0.08 -0.19 -0.76 0.00 0.00 0.00 175.10 174.23 3hkz s LEU 173 N 2.11 1.92 0.20 3.92 1.43 -0.72 -4.98 118.68 122.56 3hkz s LEU 173 Ca 0.29 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 3hkz s LEU 173 Cb -0.16 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 3hkz s LEU 173 CO 0.10 0.06 0.38 -0.69 0.23 0.00 0.00 176.35 176.42 3hkz s VAL 174 N 0.85 5.22 0.00 -1.59 1.01 -1.26 -0.26 120.40 124.37 3hkz s VAL 174 Ca -0.08 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3hkz s VAL 174 Cb -0.15 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3hkz s VAL 174 CO -0.01 -0.19 0.00 -0.67 0.00 0.00 0.00 175.10 174.24 3hkz n ASP 175 N -0.73 0.00 -3.21 3.32 2.03 0.13 -2.03 116.55 116.05 3hkz n ASP 175 Ca -0.05 -0.91 0.04 0.00 0.52 0.00 0.00 54.79 54.39 3hkz n ASP 175 Cb 0.54 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.93 3hkz n ASP 175 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3hkz s THR 176 N -1.96 -0.94 0.77 5.18 2.01 -1.26 -3.39 115.64 116.05 3hkz s THR 176 Ca 0.00 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 3hkz s THR 176 Cb 0.00 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.56 3hkz s THR 176 CO 0.00 0.00 1.08 -0.83 -0.69 0.00 0.00 174.62 174.18 3hkz s GLY 177 N 2.87 1.64 0.14 4.40 0.00 -1.26 -5.04 107.32 110.06 3hkz s GLY 177 Ca 0.16 -0.04 -0.27 0.00 0.00 0.00 0.00 44.72 44.57 3hkz s GLY 177 CO -0.20 0.35 0.83 0.54 0.00 0.00 0.00 173.10 174.61 3hkz s LYS 178 N -5.07 4.62 0.57 2.90 -0.14 -1.26 -4.97 119.74 116.39 3hkz s LYS 178 Ca 0.60 1.23 -0.18 0.00 -1.36 0.00 0.00 55.97 56.26 3hkz s LYS 178 Cb -0.15 -3.31 -0.14 0.00 -1.68 0.00 0.00 37.83 32.55 3hkz s LYS 178 CO 0.55 0.44 -0.14 2.41 -0.76 0.00 0.00 175.35 177.85 3hkz n THR 179 N 2.06 0.18 0.00 2.17 -1.04 -1.26 -4.75 114.28 111.64 3hkz n THR 179 Ca -0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 3hkz n THR 179 Cb 0.49 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 3hkz n THR 179 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hkz n GLY 180 N 2.55 1.29 0.59 3.41 0.00 -1.26 -5.07 105.19 106.70 3hkz n GLY 180 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 3hkz n GLY 180 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hkz n SER 181 N 0.00 1.18 0.00 1.61 7.64 -1.26 -5.03 113.62 117.77 3hkz n SER 181 Ca 0.00 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.95 3hkz n SER 181 Cb 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 3hkz n SER 181 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3hkz n ASN 182 N -3.24 0.00 -4.39 6.43 5.03 -1.26 -4.98 115.26 112.84 3hkz n ASN 182 Ca -0.16 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 54.95 3hkz n ASN 182 Cb 0.63 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.25 3hkz n ASN 182 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3hkz s ILE 183 N -1.19 3.53 0.00 2.41 -5.25 -1.26 -4.69 121.20 114.76 3hkz s ILE 183 Ca 0.00 -0.46 0.00 0.00 -0.99 0.00 0.00 60.65 59.20 3hkz s ILE 183 Cb 0.00 -2.57 0.00 0.00 2.95 0.00 0.00 42.46 42.84 3hkz s ILE 183 CO 0.00 0.46 0.37 0.41 -1.79 0.00 0.00 174.94 174.39 3hkz n THR 184 N 4.13 0.00 -2.34 8.37 -1.04 0.24 -4.59 114.28 119.05 3hkz n THR 184 Ca -0.18 0.82 -0.10 0.00 -2.04 0.00 0.00 64.05 62.55 3hkz n THR 184 Cb 0.52 -1.73 0.05 0.00 -1.82 0.00 0.00 70.33 67.35 3hkz n THR 184 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3hkz n HIS 185 N -0.40 -3.24 -3.54 -1.42 8.25 -1.25 -4.41 115.22 109.20 3hkz n HIS 185 Ca 0.00 -0.74 -0.12 0.00 -0.26 0.00 0.00 57.72 56.60 3hkz n HIS 185 Cb 0.00 -0.32 -0.04 0.00 1.12 0.00 0.00 29.99 30.75 3hkz n HIS 185 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3hkz s THR 186 N -1.27 0.03 0.03 1.59 -1.32 -1.22 -2.10 115.64 111.38 3hkz s THR 186 Ca 0.29 -0.28 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 3hkz s THR 186 Cb -0.02 -1.06 -0.02 0.00 -1.51 0.00 0.00 72.50 69.90 3hkz s THR 186 CO 0.19 -0.16 -0.11 0.00 -2.21 0.00 0.00 174.62 172.33 3hkz s ALA 187 N -3.39 0.91 0.07 11.08 0.00 0.85 -0.70 121.76 130.59 3hkz s ALA 187 Ca -0.00 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.35 3hkz s ALA 187 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3hkz s ALA 187 CO -0.09 0.16 -0.19 0.21 0.00 0.00 0.00 175.76 175.84 3hkz s LYS 188 N -0.95 1.16 0.01 0.00 2.20 0.64 0.73 119.74 123.54 3hkz s LYS 188 Ca -0.00 -1.02 0.01 0.00 -0.36 0.00 0.00 55.97 54.59 3hkz s LYS 188 Cb -0.07 -1.33 -0.01 0.00 -1.51 0.00 0.00 37.83 34.92 3hkz s LYS 188 CO 0.01 0.32 -0.03 0.42 -0.36 0.00 0.00 175.35 175.71 3hkz s ILE 189 N -1.01 0.17 -0.49 5.43 1.01 0.88 -1.75 121.20 125.43 3hkz s ILE 189 Ca 0.05 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.37 3hkz s ILE 189 Cb -0.09 -0.21 0.13 0.00 0.01 0.00 0.00 42.46 42.30 3hkz s ILE 189 CO 0.03 -0.13 0.25 -0.63 0.00 0.00 0.00 174.94 174.46 3hkz s ILE 190 N -0.50 2.30 0.27 2.92 -1.09 -1.21 -1.84 121.20 122.04 3hkz s ILE 190 Ca -0.04 -3.10 -0.29 0.00 -2.23 0.00 0.00 60.65 54.98 3hkz s ILE 190 Cb -0.04 -2.60 -0.09 0.00 -1.58 0.00 0.00 42.46 38.15 3hkz s ILE 190 CO -0.00 -0.81 1.12 -0.94 -1.23 0.00 0.00 174.94 173.07 3hkz s SER 191 N -0.09 7.23 0.07 3.58 1.04 -1.19 0.31 113.70 124.64 3hkz s SER 191 Ca 0.17 2.27 -0.01 0.00 0.48 0.00 0.00 55.95 58.86 3hkz s SER 191 Cb -0.25 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.24 3hkz s SER 191 CO -0.00 -0.19 -0.03 -1.54 0.98 0.00 0.00 173.24 172.46 3hkz n SER 192 N 1.37 1.10 0.00 7.02 3.41 -1.26 -2.84 113.62 122.41 3hkz n SER 192 Ca -0.00 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3hkz n SER 192 Cb 0.45 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3hkz n SER 192 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hkz n THR 193 N -3.54 0.00 0.01 6.66 -2.24 -1.26 -2.97 114.28 110.94 3hkz n THR 193 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3hkz n THR 193 Cb 0.08 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3hkz n THR 193 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hkz n ALA 194 N 0.00 0.00 -1.83 6.98 0.00 -1.24 -4.69 120.51 119.73 3hkz n ALA 194 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3hkz n ALA 194 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 3hkz n ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkz n GLY 195 N -1.45 2.14 0.00 0.00 0.00 -1.26 -5.02 105.19 99.60 3hkz n GLY 195 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3hkz n GLY 195 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hkz n TYR 196 N -0.37 0.00 -1.08 1.61 4.02 -1.26 -5.08 117.16 115.01 3hkz n TYR 196 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 3hkz n TYR 196 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.09 3hkz n TYR 196 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3hkz n ARG 197 N 0.00 3.64 -3.12 -0.72 1.74 -1.26 -5.10 116.66 111.84 3hkz n ARG 197 Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 3hkz n ARG 197 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 3hkz n ARG 197 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3hkz n VAL 198 N 0.00 -0.33 -2.25 1.55 0.31 -1.26 -4.67 118.33 111.68 3hkz n VAL 198 Ca 0.00 -3.95 -0.26 0.00 -0.01 0.00 0.00 64.34 60.13 3hkz n VAL 198 Cb 0.00 -0.59 0.16 0.00 -0.91 0.00 0.00 33.84 32.50 3hkz n VAL 198 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3hkz n PRO 199 N 0.75 -0.70 -3.85 5.55 -0.02 -1.16 -5.00 135.00 130.58 3hkz n PRO 199 Ca 0.21 -2.35 -0.30 0.00 -2.02 0.00 0.00 63.50 59.04 3hkz n PRO 199 Cb 0.62 -1.00 -0.15 0.00 -0.02 0.00 0.00 33.50 32.94 3hkz n PRO 199 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hkz s VAL 200 N -3.45 1.27 -0.25 -1.45 0.11 -1.26 -4.32 120.40 111.04 3hkz s VAL 200 Ca 0.70 -1.36 -0.06 0.00 -2.93 0.00 0.00 61.98 58.33 3hkz s VAL 200 Cb -0.03 -1.77 -0.01 0.00 -1.53 0.00 0.00 36.38 33.03 3hkz s VAL 200 CO 0.48 -0.39 0.04 -0.89 -3.33 0.00 0.00 175.10 171.01 3hkz s THR 201 N 1.47 3.98 0.69 5.04 2.01 -1.13 -5.03 115.64 122.67 3hkz s THR 201 Ca 0.03 -0.38 -0.14 0.00 0.31 0.00 0.00 61.69 61.51 3hkz s THR 201 Cb -0.18 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.45 3hkz s THR 201 CO -0.13 0.30 1.11 -0.63 -0.69 0.00 0.00 174.62 174.58 3hkz s ILE 202 N 1.55 3.16 -0.15 1.82 1.09 -1.26 -3.14 121.20 124.27 3hkz s ILE 202 Ca 0.05 0.50 -0.06 0.00 -1.10 0.00 0.00 60.65 60.05 3hkz s ILE 202 Cb -0.15 -3.01 0.07 0.00 -1.06 0.00 0.00 42.46 38.31 3hkz s ILE 202 CO 0.01 -0.37 0.31 -1.61 -0.10 0.00 0.00 174.94 173.18 3hkz s GLU 203 N -4.25 0.21 -0.08 2.79 0.41 -0.77 -4.56 118.70 112.44 3hkz s GLU 203 Ca 0.66 0.80 -0.02 0.00 -0.41 0.00 0.00 54.97 56.01 3hkz s GLU 203 Cb -0.21 0.05 0.03 0.00 -1.78 0.00 0.00 34.13 32.23 3hkz s GLU 203 CO 0.45 -0.26 0.03 1.03 -0.49 0.00 0.00 175.26 176.02 3hkz s ARG 204 N 2.32 0.36 -0.06 1.61 0.52 -1.23 -0.08 118.95 122.39 3hkz s ARG 204 Ca -0.01 0.12 -0.06 0.00 -0.52 0.00 0.00 55.73 55.26 3hkz s ARG 204 Cb -0.12 -1.02 -0.04 0.00 0.52 0.00 0.00 34.95 34.29 3hkz s ARG 204 CO -0.10 -0.37 0.19 -0.51 0.02 0.00 0.00 175.30 174.53 3hkz s LEU 205 N 2.03 4.39 0.12 2.53 1.43 0.22 -0.94 118.68 128.46 3hkz s LEU 205 Ca 0.04 0.48 0.09 0.00 -1.03 0.00 0.00 54.13 53.72 3hkz s LEU 205 Cb -0.13 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 3hkz s LEU 205 CO -0.05 0.34 -0.22 -0.54 0.23 0.00 0.00 176.35 176.11 3hkz s LYS 206 N -1.40 1.22 -0.25 1.70 1.02 -0.70 -0.10 119.74 121.23 3hkz s LYS 206 Ca 0.21 -1.25 -0.02 0.00 0.02 0.00 0.00 55.97 54.94 3hkz s LYS 206 Cb -0.13 -1.52 0.08 0.00 -0.52 0.00 0.00 37.83 35.74 3hkz s LYS 206 CO 0.11 0.35 0.05 -0.51 -0.92 0.00 0.00 175.35 174.43 3hkz s ASP 207 N -2.06 3.51 0.00 2.83 1.11 -0.89 -2.73 116.67 118.45 3hkz s ASP 207 Ca 0.10 -1.22 0.00 0.00 0.18 0.00 0.00 52.55 51.61 3hkz s ASP 207 Cb -0.09 -0.77 0.00 0.00 1.07 0.00 0.00 42.92 43.12 3hkz s ASP 207 CO 0.05 -0.35 0.00 0.61 1.18 0.00 0.00 175.17 176.66 3hkz n GLY 208 N 4.93 0.27 0.00 0.21 0.00 -1.26 0.81 105.19 110.15 3hkz n GLY 208 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3hkz n GLY 208 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hkz n THR 209 N 0.00 0.00 -1.94 2.61 -1.04 -1.26 -4.87 114.28 107.78 3hkz n THR 209 Ca 0.00 -0.01 -0.01 0.00 -2.04 0.00 0.00 64.05 61.99 3hkz n THR 209 Cb 0.00 0.45 -0.01 0.00 -1.82 0.00 0.00 70.33 68.96 3hkz n THR 209 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3hkz n PHE 210 N -0.09 -3.01 -3.68 -1.42 3.01 -1.26 -4.43 117.46 106.59 3hkz n PHE 210 Ca 0.00 1.78 -0.18 0.00 1.01 0.00 0.00 57.45 60.06 3hkz n PHE 210 Cb 0.00 -3.14 -0.17 0.00 -0.01 0.00 0.00 39.48 36.16 3hkz n PHE 210 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 3hkz s HIS 211 N -0.39 -0.03 -0.73 1.38 3.76 -1.10 -2.50 115.29 115.68 3hkz s HIS 211 Ca -0.05 0.37 -0.19 0.00 -0.15 0.00 0.00 55.06 55.05 3hkz s HIS 211 Cb 0.00 -0.37 0.12 0.00 1.11 0.00 0.00 32.58 33.44 3hkz s HIS 211 CO 0.12 -0.21 0.88 0.08 -0.85 0.00 0.00 174.74 174.76 3hkz s VAL 212 N 2.07 4.79 0.54 -0.90 1.01 0.89 -1.73 120.40 127.08 3hkz s VAL 212 Ca 0.03 -1.21 -0.17 0.00 0.00 0.00 0.00 61.98 60.62 3hkz s VAL 212 Cb -0.12 -4.60 -0.06 0.00 0.00 0.00 0.00 36.38 31.59 3hkz s VAL 212 CO -0.04 -1.28 1.03 -0.94 0.00 0.00 0.00 175.10 173.87 3hkz s SER 213 N 3.47 6.18 -0.08 3.32 1.04 -0.12 -3.40 113.70 124.12 3hkz s SER 213 Ca 0.20 1.77 -0.05 0.00 0.48 0.00 0.00 55.95 58.35 3hkz s SER 213 Cb -0.16 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.46 3hkz s SER 213 CO 0.01 -0.89 0.19 0.12 0.98 0.00 0.00 173.24 173.64 3hkz s PHE 214 N -2.38 -0.22 0.76 5.02 5.36 -1.26 -3.53 117.98 121.73 3hkz s PHE 214 Ca 0.63 0.55 -0.11 0.00 -0.96 0.00 0.00 56.93 57.04 3hkz s PHE 214 Cb -0.14 0.03 0.05 0.00 -0.34 0.00 0.00 43.02 42.61 3hkz s PHE 214 CO 0.30 -0.14 1.08 -1.25 -1.46 0.00 0.00 175.22 173.75 3hkz s PRO 215 N 0.60 2.40 0.00 10.12 0.04 -1.26 -3.98 135.00 142.92 3hkz s PRO 215 Ca -0.04 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.91 3hkz s PRO 215 Cb -0.06 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3hkz s PRO 215 CO -0.03 -1.47 0.00 0.00 0.04 0.00 0.00 177.00 175.54 3hkz n ALA 216 N -3.37 0.00 -2.48 8.56 0.00 -1.26 -4.85 120.51 117.11 3hkz n ALA 216 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 3hkz n ALA 216 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 3hkz n ALA 216 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hkz s VAL 217 N 0.00 4.20 1.04 0.00 1.01 -1.26 -5.03 120.40 120.36 3hkz s VAL 217 Ca 0.00 1.35 -0.16 0.00 0.00 0.00 0.00 61.98 63.16 3hkz s VAL 217 Cb 0.00 -4.25 0.22 0.00 0.00 0.00 0.00 36.38 32.34 3hkz s VAL 217 CO 0.00 -0.54 1.21 -2.84 0.00 0.00 0.00 175.10 172.93 3hkz s PRO 218 N 4.14 0.08 1.09 2.72 0.02 -1.26 -4.33 135.00 137.46 3hkz s PRO 218 Ca 0.54 -0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.41 3hkz s PRO 218 Cb -0.15 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3hkz s PRO 218 CO 0.23 -2.83 0.00 0.41 -0.33 0.00 0.00 177.00 174.48 3hkz n GLY 219 N -2.46 -1.65 2.92 0.52 0.00 -1.26 -4.89 105.19 98.38 3hkz n GLY 219 Ca 0.13 -1.23 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 3hkz n GLY 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s LYS 220 N -0.59 1.37 -0.27 1.61 1.02 -1.26 -4.48 119.74 117.13 3hkz s LYS 220 Ca 0.00 -0.24 -0.15 0.00 0.02 0.00 0.00 55.97 55.60 3hkz s LYS 220 Cb 0.00 -1.35 -0.04 0.00 -0.52 0.00 0.00 37.83 35.93 3hkz s LYS 220 CO 0.00 -0.15 0.37 0.42 -0.92 0.00 0.00 175.35 175.07 3hkz s ILE 221 N 1.30 5.17 -0.06 2.17 -1.09 -1.22 -4.94 121.20 122.53 3hkz s ILE 221 Ca -0.03 0.54 -0.29 0.00 -2.23 0.00 0.00 60.65 58.63 3hkz s ILE 221 Cb -0.14 -3.70 -0.07 0.00 -1.58 0.00 0.00 42.46 36.98 3hkz s ILE 221 CO -0.03 0.15 1.87 -2.84 -1.23 0.00 0.00 174.94 172.86 3hkz s PRO 222 N 2.07 3.96 0.04 2.79 0.02 -1.26 -0.07 135.00 142.54 3hkz s PRO 222 Ca 0.15 2.28 -0.05 0.00 0.02 0.00 0.00 61.00 63.40 3hkz s PRO 222 Cb -0.16 -4.13 0.02 0.00 0.02 0.00 0.00 34.50 30.25 3hkz s PRO 222 CO 0.10 -1.14 0.34 0.34 -0.33 0.00 0.00 177.00 176.31 3hkz n PHE 223 N 8.16 -0.05 -0.19 6.54 7.35 -1.04 -1.39 117.46 136.83 3hkz n PHE 223 Ca 0.20 0.28 -0.04 0.00 -0.76 0.00 0.00 57.45 57.13 3hkz n PHE 223 Cb 0.43 -0.55 0.06 0.00 0.35 0.00 0.00 39.48 39.77 3hkz n PHE 223 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 3hkz h VAL 224 N 0.00 1.01 -0.35 -2.13 3.04 -1.86 0.34 116.25 116.30 3hkz h VAL 224 Ca 0.06 -0.21 0.05 0.00 -1.01 0.00 0.00 66.70 65.59 3hkz h VAL 224 Cb 0.11 0.33 -0.05 0.00 -2.01 0.00 0.00 31.29 29.68 3hkz h VAL 224 CO -0.21 0.11 0.05 0.40 -1.01 0.00 0.00 177.57 176.91 3hkz h ILE 225 N 0.62 0.81 -0.62 3.17 2.04 -1.56 -2.27 117.51 119.70 3hkz h ILE 225 Ca 0.24 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 66.00 3hkz h ILE 225 Cb 0.09 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3hkz h ILE 225 CO -0.13 0.03 0.21 -0.07 0.00 0.00 0.00 178.15 178.18 3hkz h LEU 226 N 0.17 0.90 -3.20 1.44 3.38 -1.39 0.12 115.31 116.73 3hkz h LEU 226 Ca 0.17 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3hkz h LEU 226 Cb 0.20 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3hkz h LEU 226 CO -0.23 0.86 0.06 0.23 0.09 0.00 0.00 178.44 179.45 3hkz n MET 227 N -4.39 1.26 0.00 1.13 2.81 0.03 -2.85 117.12 115.12 3hkz n MET 227 Ca 0.04 -0.44 0.00 0.00 -1.81 0.00 0.00 57.70 55.49 3hkz n MET 227 Cb 0.20 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 3hkz n MET 227 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3hkz n ARG 228 N 1.33 0.00 -0.19 0.03 0.63 -0.79 -4.31 116.66 113.36 3hkz n ARG 228 Ca 0.10 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.13 3hkz n ARG 228 Cb 0.55 -0.18 0.41 0.00 0.45 0.00 0.00 32.46 33.68 3hkz n ARG 228 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hkz h ALA 229 N 0.00 1.85 0.15 5.13 0.00 -0.78 -0.39 119.26 125.22 3hkz h ALA 229 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hkz h ALA 229 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hkz h ALA 229 CO 0.00 -0.02 -0.11 -0.07 0.00 0.00 0.00 179.25 179.05 3hkz h LEU 230 N 0.63 -0.29 0.00 0.00 3.38 -1.78 -3.47 115.31 113.78 3hkz h LEU 230 Ca 0.35 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3hkz h LEU 230 Cb 0.52 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3hkz h LEU 230 CO -0.13 -0.18 0.00 0.61 0.09 0.00 0.00 178.44 178.83 3hkz n GLY 231 N -1.23 0.00 2.85 0.83 0.00 -0.17 -4.42 105.19 103.05 3hkz n GLY 231 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3hkz n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 232 N 0.00 1.27 0.00 -0.61 -1.09 -1.13 -4.96 121.20 114.69 3hkz s ILE 232 Ca 0.00 -1.35 0.00 0.00 -2.23 0.00 0.00 60.65 57.07 3hkz s ILE 232 Cb 0.00 -1.77 0.00 0.00 -1.58 0.00 0.00 42.46 39.11 3hkz s ILE 232 CO 0.00 -0.38 0.02 0.18 -1.23 0.00 0.00 174.94 173.53 3hkz n LEU 233 N 4.72 1.60 -4.73 2.97 4.77 -1.26 -4.19 117.00 120.88 3hkz n LEU 233 Ca -0.06 0.24 -0.37 0.00 -0.03 0.00 0.00 56.01 55.79 3hkz n LEU 233 Cb 0.43 -0.23 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 3hkz n LEU 233 CO 0.16 -0.23 0.93 0.41 -1.33 0.00 0.00 177.39 177.33 3hkz n THR 234 N -1.18 4.72 -0.09 -5.08 -1.04 -1.26 -4.82 114.28 105.54 3hkz n THR 234 Ca 0.00 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.05 61.42 3hkz n THR 234 Cb 0.00 -1.55 -0.02 0.00 -1.82 0.00 0.00 70.33 66.95 3hkz n THR 234 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3hkz h ASP 235 N 0.76 0.35 0.05 8.00 3.32 -1.99 -0.01 116.42 126.91 3hkz h ASP 235 Ca -0.51 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3hkz h ASP 235 Cb 1.33 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3hkz h ASP 235 CO 0.54 0.26 0.00 0.54 -1.72 0.00 0.00 179.24 178.86 3hkz n ARG 236 N -4.87 0.02 -0.07 3.56 1.74 -1.26 0.36 116.66 116.14 3hkz n ARG 236 Ca -0.01 0.50 -0.06 0.00 -0.77 0.00 0.00 57.85 57.51 3hkz n ARG 236 Cb 0.03 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.87 3hkz n ARG 236 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3hkz h ASP 237 N 0.00 0.00 0.64 0.55 3.32 -1.53 -3.37 116.42 116.02 3hkz h ASP 237 Ca 0.00 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3hkz h ASP 237 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3hkz h ASP 237 CO 0.00 0.78 -0.45 0.40 -1.72 0.00 0.00 179.24 178.25 3hkz h ILE 238 N -1.00 0.10 -0.97 0.35 2.04 0.34 0.12 117.51 118.49 3hkz h ILE 238 Ca -0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.95 3hkz h ILE 238 Cb 0.48 0.10 -0.14 0.00 -0.74 0.00 0.00 36.82 36.52 3hkz h ILE 238 CO -0.03 0.00 -0.44 0.52 0.00 0.00 0.00 178.15 178.21 3hkz n VAL 239 N -5.57 -0.55 0.17 1.67 0.31 0.16 0.79 118.33 115.31 3hkz n VAL 239 Ca -0.13 2.29 0.03 0.00 -0.01 0.00 0.00 64.34 66.52 3hkz n VAL 239 Cb 0.45 -2.97 0.29 0.00 -0.91 0.00 0.00 33.84 30.70 3hkz n VAL 239 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3hkz h TYR 240 N 0.00 0.00 0.00 3.52 -1.99 -1.70 -2.72 116.97 114.08 3hkz h TYR 240 Ca 0.28 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.96 3hkz h TYR 240 Cb 0.52 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 3hkz h TYR 240 CO -0.89 0.46 -0.27 0.00 -0.00 0.00 0.00 178.16 177.45 3hkz h ALA 241 N 1.54 1.43 0.41 3.88 0.00 0.31 -3.28 119.26 123.55 3hkz h ALA 241 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3hkz h ALA 241 Cb 0.94 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hkz h ALA 241 CO 0.06 0.34 -0.20 0.28 0.00 0.00 0.00 179.25 179.73 3hkz h VAL 242 N 0.00 0.00 -2.43 0.00 2.07 -0.53 -3.39 116.25 111.97 3hkz h VAL 242 Ca -0.00 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 3hkz h VAL 242 Cb 0.52 0.00 -0.23 0.00 -1.52 0.00 0.00 31.29 30.06 3hkz h VAL 242 CO 0.04 0.00 -0.09 -0.94 0.02 0.00 0.00 177.57 176.60 3hkz s SER 243 N -3.89 -0.57 -0.27 0.57 1.04 -1.22 -3.93 113.70 105.43 3hkz s SER 243 Ca -0.08 1.09 -0.12 0.00 0.48 0.00 0.00 55.95 57.32 3hkz s SER 243 Cb 0.01 1.10 -0.05 0.00 0.10 0.00 0.00 66.02 67.18 3hkz s SER 243 CO 0.24 -0.19 0.25 -0.76 0.98 0.00 0.00 173.24 173.76 3hkz s LEU 244 N 0.37 4.04 -1.26 2.42 1.43 -1.26 -4.37 118.68 120.05 3hkz s LEU 244 Ca -0.01 0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 3hkz s LEU 244 Cb -0.04 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 3hkz s LEU 244 CO -0.00 -0.08 0.77 -0.67 0.23 0.00 0.00 176.35 176.59 3hkz n ASP 245 N 5.05 -2.03 -0.04 2.29 -0.08 -1.26 -4.42 116.55 116.06 3hkz n ASP 245 Ca -0.12 -0.80 -0.03 0.00 -1.51 0.00 0.00 54.79 52.33 3hkz n ASP 245 Cb 0.52 -4.25 -0.08 0.00 2.34 0.00 0.00 41.12 39.65 3hkz n ASP 245 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3hkz n PRO 246 N -4.16 1.94 0.00 -0.67 -0.04 -1.26 -4.25 135.00 126.56 3hkz n PRO 246 Ca -0.27 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 3hkz n PRO 246 Cb 0.67 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 3hkz n PRO 246 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hkz n GLU 247 N -2.25 0.00 0.31 0.54 1.02 -1.26 -4.43 120.64 114.57 3hkz n GLU 247 Ca -0.13 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.16 3hkz n GLU 247 Cb 0.70 -2.37 0.81 0.00 -0.02 0.00 0.00 31.44 30.56 3hkz n GLU 247 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hkz h VAL 248 N 0.00 0.00 0.24 2.62 2.07 -1.97 -0.80 116.25 118.41 3hkz h VAL 248 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3hkz h VAL 248 Cb 0.00 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3hkz h VAL 248 CO 0.00 0.00 -0.12 0.06 0.02 0.00 0.00 177.57 177.53 3hkz h GLN 249 N 0.00 -0.31 -1.45 1.57 3.07 -1.91 -3.32 115.11 112.76 3hkz h GLN 249 Ca 0.00 0.02 0.48 0.00 0.09 0.00 0.00 58.65 59.24 3hkz h GLN 249 Cb 0.54 0.07 -0.13 0.00 0.08 0.00 0.00 27.48 28.04 3hkz h GLN 249 CO 0.00 -0.21 0.96 -0.91 0.09 0.00 0.00 178.83 178.76 3hkz h ASN 250 N -0.51 0.18 -0.95 0.06 2.35 -1.53 -2.04 115.58 113.14 3hkz h ASN 250 Ca -0.03 0.13 0.21 0.00 -0.55 0.00 0.00 56.30 56.05 3hkz h ASN 250 Cb 0.25 0.13 -0.12 0.00 0.05 0.00 0.00 38.32 38.64 3hkz h ASN 250 CO 0.05 -0.21 0.52 -0.33 -1.65 0.00 0.00 177.43 175.82 3hkz h GLU 251 N 0.02 0.57 -1.52 0.81 5.08 -1.54 -3.15 114.58 114.84 3hkz h GLU 251 Ca 0.88 -0.03 -0.48 0.00 -1.00 0.00 0.00 59.36 58.72 3hkz h GLU 251 Cb 2.91 -0.13 -0.41 0.00 0.50 0.00 0.00 28.75 31.63 3hkz h GLU 251 CO -0.39 0.38 -0.98 1.28 -1.00 0.00 0.00 179.01 178.29 3hkz n LEU 252 N -4.90 2.70 -0.01 1.33 4.77 -0.77 -4.85 117.00 115.28 3hkz n LEU 252 Ca 0.23 -4.67 -0.00 0.00 -0.03 0.00 0.00 56.01 51.54 3hkz n LEU 252 Cb 0.63 0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.76 3hkz n LEU 252 CO 0.17 2.01 -0.62 0.49 -1.33 0.00 0.00 177.39 178.11 3hkz n PHE 253 N -0.14 0.00 -0.04 -1.77 3.01 -1.19 -4.65 117.46 112.67 3hkz n PHE 253 Ca 0.24 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.60 3hkz n PHE 253 Cb 0.68 -0.19 -0.03 0.00 -0.01 0.00 0.00 39.48 39.93 3hkz n PHE 253 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3hkz h PRO 254 N 0.00 0.21 -1.37 -1.08 0.13 -1.89 -2.82 132.00 125.19 3hkz h PRO 254 Ca -0.07 -0.01 0.42 0.00 -0.87 0.00 0.00 66.00 65.47 3hkz h PRO 254 Cb 0.82 -0.05 -0.11 0.00 0.13 0.00 0.00 31.00 31.79 3hkz h PRO 254 CO 0.00 0.14 0.91 0.66 -0.23 0.00 0.00 178.00 179.49 3hkz h SER 255 N 0.22 0.20 -0.17 1.44 4.64 -1.89 0.44 113.55 118.43 3hkz h SER 255 Ca 0.08 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 3hkz h SER 255 Cb 0.01 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3hkz h SER 255 CO -0.05 -0.10 0.05 -0.07 -0.87 0.00 0.00 176.83 175.79 3hkz h LEU 256 N 0.10 0.26 -1.36 5.97 3.38 -1.71 -2.59 115.31 119.37 3hkz h LEU 256 Ca 0.78 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.52 3hkz h LEU 256 Cb 2.57 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 43.26 3hkz h LEU 256 CO -0.29 0.42 0.00 -0.62 0.09 0.00 0.00 178.44 178.03 3hkz n GLU 257 N -4.80 0.62 -0.36 1.13 1.02 0.16 -3.87 120.64 114.53 3hkz n GLU 257 Ca -0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.08 3hkz n GLU 257 Cb 0.16 -1.27 0.04 0.00 -0.02 0.00 0.00 31.44 30.35 3hkz n GLU 257 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3hkz h GLN 258 N 0.52 -0.02 -4.78 3.49 4.15 -1.46 -3.25 115.11 113.75 3hkz h GLN 258 Ca 0.00 0.00 -0.68 0.00 0.77 0.00 0.00 58.65 58.74 3hkz h GLN 258 Cb 0.42 0.00 -0.32 0.00 0.21 0.00 0.00 27.48 27.79 3hkz h GLN 258 CO 0.00 -0.01 -0.70 0.00 -1.93 0.00 0.00 178.83 176.19 3hkz s ALA 259 N -5.96 2.82 -1.40 3.38 0.00 -1.25 -4.85 121.76 114.50 3hkz s ALA 259 Ca -0.14 -1.71 0.14 0.00 0.00 0.00 0.00 51.96 50.26 3hkz s ALA 259 Cb 0.20 -1.93 0.34 0.00 0.00 0.00 0.00 23.12 21.72 3hkz s ALA 259 CO 0.71 -1.20 1.25 -1.13 0.00 0.00 0.00 175.76 175.39 3hkz n SER 260 N 4.65 2.99 0.00 0.00 3.41 -1.23 -4.59 113.62 118.85 3hkz n SER 260 Ca -0.14 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 3hkz n SER 260 Cb 0.44 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.18 3hkz n SER 260 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hkz n SER 261 N 0.85 0.00 -4.18 4.04 7.64 -1.26 -4.35 113.62 116.36 3hkz n SER 261 Ca 0.14 -0.07 -0.38 0.00 1.01 0.00 0.00 58.87 59.57 3hkz n SER 261 Cb 0.46 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.55 3hkz n SER 261 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hkz s ILE 262 N -2.00 3.74 -0.07 0.44 1.09 -1.26 -4.97 121.20 118.17 3hkz s ILE 262 Ca 0.01 -1.82 -0.06 0.00 -1.10 0.00 0.00 60.65 57.68 3hkz s ILE 262 Cb 0.01 -3.46 -0.28 0.00 -1.06 0.00 0.00 42.46 37.66 3hkz s ILE 262 CO 0.01 -0.66 0.56 0.00 -0.10 0.00 0.00 174.94 174.74 3hkz h ALA 263 N 8.24 0.34 -0.66 9.38 0.00 -1.91 -3.48 119.26 131.17 3hkz h ALA 263 Ca -0.18 -1.28 -0.57 0.00 0.00 0.00 0.00 54.91 52.89 3hkz h ALA 263 Cb 1.06 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 3hkz h ALA 263 CO 0.76 1.21 -0.28 -0.80 0.00 0.00 0.00 179.25 180.13 3hkz s ASN 264 N -7.06 4.70 0.09 0.00 0.01 -1.26 -5.00 114.94 106.42 3hkz s ASN 264 Ca -0.17 -1.17 -0.12 0.00 -0.71 0.00 0.00 52.86 50.69 3hkz s ASN 264 Cb 0.06 0.34 -0.21 0.00 0.41 0.00 0.00 41.25 41.85 3hkz s ASN 264 CO 0.81 -1.10 1.21 0.58 -1.51 0.00 0.00 177.10 177.09 3hkz h VAL 265 N 0.71 1.31 -0.34 1.60 2.07 -1.95 -3.01 116.25 116.64 3hkz h VAL 265 Ca -0.36 -2.34 -0.15 0.00 0.82 0.00 0.00 66.70 64.67 3hkz h VAL 265 Cb 1.30 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 33.50 3hkz h VAL 265 CO 0.55 0.71 -0.38 0.44 0.02 0.00 0.00 177.57 178.92 3hkz h ASP 266 N 0.34 0.92 0.17 0.57 3.32 -1.96 -2.95 116.42 116.82 3hkz h ASP 266 Ca -0.13 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.43 3hkz h ASP 266 Cb 1.70 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.99 3hkz h ASP 266 CO 0.20 1.21 -0.09 0.44 -1.72 0.00 0.00 179.24 179.29 3hkz h ASP 267 N 0.65 0.00 1.25 6.45 5.19 -1.95 -2.01 116.42 125.99 3hkz h ASP 267 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3hkz h ASP 267 Cb 0.97 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.48 3hkz h ASP 267 CO 0.09 0.09 0.00 0.00 -3.12 0.00 0.00 179.24 176.30 3hkz n ALA 268 N -2.38 2.09 0.77 3.45 0.00 -1.12 -2.64 120.51 120.68 3hkz n ALA 268 Ca -0.02 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.54 3hkz n ALA 268 Cb 0.18 -1.45 0.13 0.00 0.00 0.00 0.00 19.45 18.31 3hkz n ALA 268 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hkz n LEU 269 N -2.26 3.12 -0.12 0.00 4.77 -0.76 -4.03 117.00 117.72 3hkz n LEU 269 Ca 0.04 -1.16 -0.19 0.00 -0.03 0.00 0.00 56.01 54.68 3hkz n LEU 269 Cb 0.37 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.26 3hkz n LEU 269 CO 0.27 0.57 -1.31 0.47 -1.33 0.00 0.00 177.39 176.06 3hkz n ASP 270 N 1.37 1.99 0.00 -1.43 8.00 -1.09 -0.53 116.55 124.86 3hkz n ASP 270 Ca 0.15 -0.07 0.07 0.00 0.71 0.00 0.00 54.79 55.65 3hkz n ASP 270 Cb 0.59 -0.48 0.41 0.00 -0.02 0.00 0.00 41.12 41.62 3hkz n ASP 270 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hkz n PHE 271 N -3.36 0.00 0.00 1.24 3.01 -1.08 -2.66 117.46 114.60 3hkz n PHE 271 Ca -0.46 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.00 3hkz n PHE 271 Cb 0.98 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 40.30 3hkz n PHE 271 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3hkz n ILE 272 N -1.16 0.00 -0.34 4.37 5.41 -1.26 -4.82 119.36 121.56 3hkz n ILE 272 Ca 0.09 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.97 3hkz n ILE 272 Cb 0.09 -1.20 0.34 0.00 -0.71 0.00 0.00 39.64 38.15 3hkz n ILE 272 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3hkz h GLY 273 N 0.00 1.67 2.00 7.39 0.00 -0.80 -0.49 103.07 112.84 3hkz h GLY 273 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3hkz h GLY 273 CO 0.00 -0.05 0.00 1.48 0.00 0.00 0.00 176.54 177.97 3hkz h SER 274 N 0.73 0.00 -0.15 0.19 4.64 -1.73 -2.53 113.55 114.70 3hkz h SER 274 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 3hkz h SER 274 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3hkz h SER 274 CO -0.35 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.15 3hkz n ARG 275 N -2.88 1.91 0.00 4.77 1.74 -0.19 -4.60 116.66 117.42 3hkz n ARG 275 Ca -0.01 -0.79 0.00 0.00 -0.77 0.00 0.00 57.85 56.28 3hkz n ARG 275 Cb 0.14 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 3hkz n ARG 275 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3hkz n VAL 276 N 0.14 0.00 -2.84 1.55 0.31 -0.95 -4.43 118.33 112.12 3hkz n VAL 276 Ca 0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.98 3hkz n VAL 276 Cb 0.44 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.34 3hkz n VAL 276 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hkz s ALA 277 N -2.55 3.44 0.22 3.52 0.00 -1.26 -5.04 121.76 120.09 3hkz s ALA 277 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 3hkz s ALA 277 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 3hkz s ALA 277 CO 0.00 -0.55 0.95 0.42 0.00 0.00 0.00 175.76 176.58 3hkz s ILE 278 N 1.88 4.12 0.00 0.00 -1.09 -1.26 -4.27 121.20 120.58 3hkz s ILE 278 Ca 0.42 2.08 0.00 0.00 -2.23 0.00 0.00 60.65 60.92 3hkz s ILE 278 Cb -0.17 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.38 3hkz s ILE 278 CO 0.16 0.47 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 3hkz n GLY 279 N 1.60 0.39 3.82 6.18 0.00 -1.26 -5.08 105.19 110.83 3hkz n GLY 279 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3hkz n GLY 279 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hkz s GLN 280 N -0.78 3.49 0.50 1.61 -0.21 -1.26 -4.98 119.66 118.03 3hkz s GLN 280 Ca 0.00 1.10 -0.18 0.00 0.02 0.00 0.00 55.36 56.30 3hkz s GLN 280 Cb 0.00 -2.06 -0.14 0.00 1.00 0.00 0.00 33.01 31.80 3hkz s GLN 280 CO 0.00 -0.67 -0.05 1.63 -2.12 0.00 0.00 175.29 174.08 3hkz n LYS 281 N -2.00 0.05 -0.34 2.91 5.02 -1.26 -4.51 118.16 118.03 3hkz n LYS 281 Ca 0.08 0.02 0.14 0.00 -2.02 0.00 0.00 58.31 56.53 3hkz n LYS 281 Cb 0.53 -1.07 0.35 0.00 -0.02 0.00 0.00 35.03 34.82 3hkz n LYS 281 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hkz h ARG 282 N 0.03 0.70 -0.00 1.97 2.47 -2.01 0.32 114.38 117.85 3hkz h ARG 282 Ca -0.41 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3hkz h ARG 282 Cb 1.45 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 3hkz h ARG 282 CO 0.43 0.46 -0.33 0.39 0.56 0.00 0.00 179.97 181.48 3hkz n GLU 283 N -4.72 0.31 0.02 0.04 4.71 -1.26 -3.62 120.64 116.12 3hkz n GLU 283 Ca 0.23 -0.16 0.12 0.00 -0.01 0.00 0.00 57.16 57.34 3hkz n GLU 283 Cb 0.59 -1.50 0.31 0.00 -1.01 0.00 0.00 31.44 29.83 3hkz n GLU 283 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3hkz n ASN 284 N -1.21 0.47 0.14 1.62 4.13 0.10 -3.42 115.26 117.09 3hkz n ASN 284 Ca 0.09 0.03 0.02 0.00 1.68 0.00 0.00 54.58 56.40 3hkz n ASN 284 Cb 0.33 0.03 0.02 0.00 -1.54 0.00 0.00 39.78 38.62 3hkz n ASN 284 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 3hkz h ARG 285 N 0.00 0.00 0.21 3.52 3.08 -1.36 -3.38 114.38 116.46 3hkz h ARG 285 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 3hkz h ARG 285 Cb 0.57 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.66 3hkz h ARG 285 CO 0.00 0.52 -1.24 0.82 -1.07 0.00 0.00 179.97 179.00 3hkz h ILE 286 N 0.00 1.36 -0.27 2.04 1.08 -1.72 -3.32 117.51 116.68 3hkz h ILE 286 Ca -0.01 -2.64 -0.12 0.00 -0.39 0.00 0.00 64.86 61.71 3hkz h ILE 286 Cb 1.39 3.10 -0.00 0.00 -3.07 0.00 0.00 36.82 38.24 3hkz h ILE 286 CO 0.07 0.78 -0.30 -0.33 -0.69 0.00 0.00 178.15 177.67 3hkz h GLU 287 N -0.05 0.68 -1.01 2.37 5.08 -1.74 0.33 114.58 120.24 3hkz h GLU 287 Ca -0.22 -0.37 -0.16 0.00 -1.00 0.00 0.00 59.36 57.61 3hkz h GLU 287 Cb 1.97 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 31.15 3hkz h GLU 287 CO 0.23 0.98 0.20 1.17 -1.00 0.00 0.00 179.01 180.60 3hkz n LYS 288 N -4.27 1.39 0.00 2.33 4.81 -1.26 -2.02 118.16 119.14 3hkz n LYS 288 Ca -0.04 -0.93 0.00 0.00 -0.87 0.00 0.00 58.31 56.47 3hkz n LYS 288 Cb 0.48 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 34.16 3hkz n LYS 288 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hkz n ALA 289 N 0.01 1.37 0.07 3.14 0.00 -0.85 -4.69 120.51 119.55 3hkz n ALA 289 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.61 3hkz n ALA 289 Cb 0.86 0.09 -0.06 0.00 0.00 0.00 0.00 19.45 20.34 3hkz n ALA 289 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3hkz h GLN 290 N 0.00 0.00 0.09 0.00 4.20 -0.23 -3.37 115.11 115.79 3hkz h GLN 290 Ca 0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 3hkz h GLN 290 Cb 0.37 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3hkz h GLN 290 CO 0.00 0.55 -1.61 1.96 -0.67 0.00 0.00 178.83 179.06 3hkz h GLN 291 N 0.00 0.18 -1.91 1.46 4.20 -1.65 -3.19 115.11 114.20 3hkz h GLN 291 Ca -0.09 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.31 3hkz h GLN 291 Cb 1.61 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.51 3hkz h GLN 291 CO 0.08 1.15 0.00 -0.89 -0.67 0.00 0.00 178.83 178.49 3hkz n ILE 292 N -3.90 0.49 0.00 2.54 5.41 -1.26 -1.66 119.36 120.98 3hkz n ILE 292 Ca -0.30 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.35 3hkz n ILE 292 Cb 0.90 -0.99 0.00 0.00 -0.71 0.00 0.00 39.64 38.83 3hkz n ILE 292 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3hkz n ILE 293 N 1.55 0.00 -0.01 1.39 2.08 -1.22 -4.51 119.36 118.65 3hkz n ILE 293 Ca 0.00 0.00 -0.17 0.00 0.56 0.00 0.00 62.75 63.14 3hkz n ILE 293 Cb 0.14 -0.29 -0.09 0.00 -0.75 0.00 0.00 39.64 38.65 3hkz n ILE 293 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3hkz h ASP 294 N 0.00 0.68 0.14 4.38 3.32 -1.30 -3.36 116.42 120.27 3hkz h ASP 294 Ca 0.00 -0.69 -0.36 0.00 0.02 0.00 0.00 57.03 56.00 3hkz h ASP 294 Cb 0.16 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3hkz h ASP 294 CO 0.00 1.27 -2.06 2.29 -1.72 0.00 0.00 179.24 179.01 3hkz n LYS 295 N -4.14 0.72 -3.69 3.56 2.85 -0.71 -3.88 118.16 112.87 3hkz n LYS 295 Ca -0.09 0.24 -0.38 0.00 -1.05 0.00 0.00 58.31 57.03 3hkz n LYS 295 Cb 0.68 -1.68 -0.10 0.00 -0.65 0.00 0.00 35.03 33.28 3hkz n LYS 295 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3hkz s TYR 296 N -2.55 3.50 0.00 5.58 1.51 -1.25 -4.56 117.35 119.57 3hkz s TYR 296 Ca -0.22 -2.41 0.00 0.00 -1.01 0.00 0.00 57.07 53.43 3hkz s TYR 296 Cb 0.07 -3.29 0.00 0.00 -0.11 0.00 0.00 41.96 38.63 3hkz s TYR 296 CO 0.75 -0.93 0.00 0.34 -1.11 0.00 0.00 175.55 174.60 3hkz n PHE 297 N 4.20 0.00 -3.24 2.71 7.35 -1.26 -3.63 117.46 123.59 3hkz n PHE 297 Ca 0.01 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.61 3hkz n PHE 297 Cb 0.40 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.26 3hkz n PHE 297 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3hkz n LEU 298 N 0.00 -5.66 -0.78 -2.13 4.77 -1.26 -4.77 117.00 107.16 3hkz n LEU 298 Ca 0.00 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3hkz n LEU 298 Cb 0.00 -3.06 0.00 0.00 -2.33 0.00 0.00 43.42 38.03 3hkz n LEU 298 CO 0.00 -0.47 0.06 -2.65 -1.33 0.00 0.00 177.39 173.00 3hkz n PRO 299 N -2.53 0.16 0.00 3.23 -0.02 -1.26 -4.54 135.00 130.04 3hkz n PRO 299 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3hkz n PRO 299 Cb 0.56 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 3hkz n PRO 299 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3hkz n HIS 300 N 0.70 -0.07 -1.68 6.00 8.25 -1.26 -3.70 115.22 123.46 3hkz n HIS 300 Ca 0.00 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 56.99 3hkz n HIS 300 Cb 0.06 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 3hkz n HIS 300 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hkz n LEU 301 N 0.00 3.60 0.00 2.41 4.77 -1.26 -4.40 117.00 122.13 3hkz n LEU 301 Ca 0.00 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 3hkz n LEU 301 Cb 0.00 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.69 3hkz n LEU 301 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3hkz n GLY 302 N 4.44 2.39 0.00 -0.72 0.00 -1.26 -4.78 105.19 105.26 3hkz n GLY 302 Ca 0.22 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3hkz n GLY 302 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hkz n THR 303 N 0.00 0.00 -3.58 2.61 -1.04 -1.25 -4.58 114.28 106.44 3hkz n THR 303 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3hkz n THR 303 Cb 0.00 0.19 -0.05 0.00 -1.82 0.00 0.00 70.33 68.65 3hkz n THR 303 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hkz s SER 304 N 0.00 6.64 0.08 8.00 1.04 -1.26 -4.71 113.70 123.49 3hkz s SER 304 Ca 0.00 0.79 -0.16 0.00 0.48 0.00 0.00 55.95 57.06 3hkz s SER 304 Cb 0.00 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 3hkz s SER 304 CO 0.00 0.18 0.95 0.00 0.98 0.00 0.00 173.24 175.35 3hkz n ALA 305 N 0.93 -0.34 0.20 5.32 0.00 -1.26 -0.13 120.51 125.23 3hkz n ALA 305 Ca -0.08 0.45 0.07 0.00 0.00 0.00 0.00 53.44 53.88 3hkz n ALA 305 Cb 0.52 -0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.38 3hkz n ALA 305 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hkz h GLU 306 N 0.00 0.00 -2.23 0.00 5.08 -2.00 -3.34 114.58 112.08 3hkz h GLU 306 Ca 0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 3hkz h GLU 306 Cb 0.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3hkz h GLU 306 CO -0.50 0.32 -0.12 -0.25 -1.00 0.00 0.00 179.01 177.46 3hkz n ASP 307 N -3.58 3.79 -0.06 1.42 8.00 0.81 -3.19 116.55 123.74 3hkz n ASP 307 Ca -0.01 -2.17 -0.07 0.00 0.71 0.00 0.00 54.79 53.25 3hkz n ASP 307 Cb 0.45 -0.99 -0.07 0.00 -0.02 0.00 0.00 41.12 40.49 3hkz n ASP 307 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hkz n ARG 308 N 2.47 1.51 -0.24 -1.24 1.74 -1.25 -4.44 116.66 115.21 3hkz n ARG 308 Ca 0.26 0.03 -0.07 0.00 -0.77 0.00 0.00 57.85 57.30 3hkz n ARG 308 Cb 0.61 -1.26 0.04 0.00 -1.02 0.00 0.00 32.46 30.83 3hkz n ARG 308 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3hkz h LYS 309 N 0.00 0.96 -0.04 5.56 1.57 -1.76 0.29 116.57 123.15 3hkz h LYS 309 Ca -0.28 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3hkz h LYS 309 Cb 1.55 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.69 3hkz h LYS 309 CO -0.01 0.78 0.00 1.63 -0.57 0.00 0.00 179.45 181.28 3hkz n LYS 310 N -4.45 1.11 0.00 3.15 5.02 -1.26 -2.60 118.16 119.13 3hkz n LYS 310 Ca 0.05 -0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 3hkz n LYS 310 Cb 0.14 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3hkz n LYS 310 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3hkz n LYS 311 N -0.43 1.02 -0.00 1.97 2.85 -1.09 -4.71 118.16 117.76 3hkz n LYS 311 Ca 0.05 -0.14 -0.03 0.00 -1.05 0.00 0.00 58.31 57.14 3hkz n LYS 311 Cb 0.06 -0.54 0.21 0.00 -0.65 0.00 0.00 35.03 34.11 3hkz n LYS 311 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hkz h ALA 312 N 0.00 1.13 -0.05 0.58 0.00 -0.68 -3.18 119.26 117.06 3hkz h ALA 312 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.61 3hkz h ALA 312 Cb 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hkz h ALA 312 CO 0.00 0.54 0.04 1.88 0.00 0.00 0.00 179.25 181.71 3hkz h TYR 313 N 0.47 0.00 0.00 0.00 0.99 -1.84 -3.12 116.97 113.47 3hkz h TYR 313 Ca 0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 3hkz h TYR 313 Cb 0.60 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.33 3hkz h TYR 313 CO 0.02 0.00 -0.31 0.66 -0.00 0.00 0.00 178.16 178.54 3hkz n TYR 314 N -4.49 0.11 -0.05 4.88 4.02 -1.20 0.22 117.16 120.65 3hkz n TYR 314 Ca -0.02 0.03 -0.13 0.00 -0.01 0.00 0.00 57.90 57.78 3hkz n TYR 314 Cb 0.14 -0.42 -0.07 0.00 -0.02 0.00 0.00 39.34 38.96 3hkz n TYR 314 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3hkz h LEU 315 N 0.00 0.28 0.33 7.72 4.07 -1.71 -2.61 115.31 123.38 3hkz h LEU 315 Ca 0.00 -0.41 -0.02 0.00 0.08 0.00 0.00 57.88 57.53 3hkz h LEU 315 Cb 0.54 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.21 3hkz h LEU 315 CO 0.00 0.63 -0.16 0.00 -1.08 0.00 0.00 178.44 177.84 3hkz h ALA 316 N 0.66 -0.44 0.00 1.53 0.00 -1.40 0.84 119.26 120.44 3hkz h ALA 316 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3hkz h ALA 316 Cb 0.53 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hkz h ALA 316 CO 0.02 -0.57 0.00 0.66 0.00 0.00 0.00 179.25 179.36 3hkz n TYR 317 N -5.14 0.00 -0.09 0.00 4.02 0.59 0.07 117.16 116.61 3hkz n TYR 317 Ca -0.10 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.65 3hkz n TYR 317 Cb 0.27 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.51 3hkz n TYR 317 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hkz n ALA 318 N -0.73 1.66 -0.26 -0.72 0.00 -0.98 -4.58 120.51 114.90 3hkz n ALA 318 Ca 0.05 -0.76 -0.00 0.00 0.00 0.00 0.00 53.44 52.73 3hkz n ALA 318 Cb 0.02 0.14 0.12 0.00 0.00 0.00 0.00 19.45 19.73 3hkz n ALA 318 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hkz h ILE 319 N -0.21 0.96 0.00 0.00 1.08 0.30 -0.31 117.51 119.33 3hkz h ILE 319 Ca -0.42 -0.26 -0.07 0.00 -0.39 0.00 0.00 64.86 63.72 3hkz h ILE 319 Cb 1.56 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 3hkz h ILE 319 CO -0.13 0.14 0.02 -1.54 -0.69 0.00 0.00 178.15 175.94 3hkz n SER 320 N -4.76 2.79 0.00 1.72 3.41 0.11 0.12 113.62 117.02 3hkz n SER 320 Ca 0.10 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 3hkz n SER 320 Cb 0.20 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 3hkz n SER 320 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hkz n LYS 321 N 2.38 0.00 -0.07 4.33 4.76 -0.18 -4.49 118.16 124.89 3hkz n LYS 321 Ca 0.15 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.38 3hkz n LYS 321 Cb 0.41 -0.08 -0.12 0.00 -1.84 0.00 0.00 35.03 33.39 3hkz n LYS 321 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3hkz h VAL 322 N 0.00 1.05 -0.21 -0.18 2.07 -0.69 -3.35 116.25 114.95 3hkz h VAL 322 Ca 0.00 -2.26 -0.09 0.00 0.82 0.00 0.00 66.70 65.17 3hkz h VAL 322 Cb 0.00 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 3hkz h VAL 322 CO 0.00 0.48 -0.27 0.16 0.02 0.00 0.00 177.57 177.95 3hkz h ILE 323 N -0.78 1.27 0.00 4.57 3.07 0.69 -2.07 117.51 124.25 3hkz h ILE 323 Ca -0.29 -1.27 -0.49 0.00 1.55 0.00 0.00 64.86 64.36 3hkz h ILE 323 Cb 1.40 1.41 0.03 0.00 -0.27 0.00 0.00 36.82 39.39 3hkz h ILE 323 CO -0.10 0.40 2.52 1.21 -1.05 0.00 0.00 178.15 181.12 3hkz n GLU 324 N -4.12 1.90 0.00 0.16 2.13 -1.23 -1.60 120.64 117.89 3hkz n GLU 324 Ca -0.01 -1.64 0.00 0.00 0.66 0.00 0.00 57.16 56.17 3hkz n GLU 324 Cb 0.41 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.46 3hkz n GLU 324 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3hkz n LEU 325 N 5.47 0.00 -0.33 4.31 7.94 -1.19 -4.29 117.00 128.90 3hkz n LEU 325 Ca 0.47 0.00 0.18 0.00 -1.11 0.00 0.00 56.01 55.54 3hkz n LEU 325 Cb 0.24 0.00 0.34 0.00 0.53 0.00 0.00 43.42 44.53 3hkz n LEU 325 CO 0.84 0.00 0.83 0.00 -1.11 0.00 0.00 177.39 177.94 3hkz n TYR 326 N 0.00 0.72 -3.31 1.96 9.36 -0.62 0.15 117.16 125.42 3hkz n TYR 326 Ca 0.00 1.18 -0.27 0.00 3.32 0.00 0.00 57.90 62.13 3hkz n TYR 326 Cb 0.00 -1.30 -0.07 0.00 -0.63 0.00 0.00 39.34 37.34 3hkz n TYR 326 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 3hkz n LEU 327 N -5.42 3.95 -3.36 2.98 0.00 -1.26 -5.02 117.00 108.88 3hkz n LEU 327 Ca 0.26 -5.51 -0.25 0.00 0.00 0.00 0.00 56.01 50.51 3hkz n LEU 327 Cb 0.85 -0.65 0.02 0.00 0.00 0.00 0.00 43.42 43.64 3hkz n LEU 327 CO -0.06 2.13 -0.13 0.61 0.00 0.00 0.00 177.39 179.94 3hkz n GLY 328 N 0.59 -0.62 0.08 -3.96 0.00 0.40 -4.96 105.19 96.71 3hkz n GLY 328 Ca 0.30 1.02 -0.06 0.00 0.00 0.00 0.00 46.02 47.28 3hkz n GLY 328 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz n ARG 329 N -0.84 0.86 0.00 1.61 5.12 -1.26 -4.86 116.66 117.28 3hkz n ARG 329 Ca -0.07 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 3hkz n ARG 329 Cb 0.61 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 3hkz n ARG 329 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3hkz n ARG 330 N -2.62 2.83 -1.44 5.56 1.85 -1.26 -4.33 116.66 117.25 3hkz n ARG 330 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.58 3hkz n ARG 330 Cb 1.02 -0.56 0.00 0.00 -1.05 0.00 0.00 32.46 31.88 3hkz n ARG 330 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3hkz n GLU 331 N -0.43 -3.87 -0.49 2.89 2.13 -1.26 -4.92 120.64 114.69 3hkz n GLU 331 Ca 0.00 2.82 -0.17 0.00 0.66 0.00 0.00 57.16 60.47 3hkz n GLU 331 Cb 0.03 -3.03 -0.01 0.00 0.27 0.00 0.00 31.44 28.69 3hkz n GLU 331 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3hkz n PRO 332 N 0.61 0.00 -1.98 5.31 -0.02 -1.26 -4.81 135.00 132.85 3hkz n PRO 332 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 3hkz n PRO 332 Cb 0.00 -0.38 -0.03 0.00 -0.02 0.00 0.00 33.50 33.07 3hkz n PRO 332 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hkz s ASP 333 N -0.26 6.63 -0.52 2.55 1.01 -0.86 -4.96 116.67 120.25 3hkz s ASP 333 Ca 0.24 2.63 -0.26 0.00 0.71 0.00 0.00 52.55 55.87 3hkz s ASP 333 Cb -0.34 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.01 3hkz s ASP 333 CO 0.19 -0.76 1.00 -0.62 0.21 0.00 0.00 175.17 175.19 3hkz s ASP 334 N 0.77 6.43 -0.40 0.27 3.68 -1.26 -4.74 116.67 121.42 3hkz s ASP 334 Ca 0.65 -0.07 0.01 0.00 2.13 0.00 0.00 52.55 55.27 3hkz s ASP 334 Cb -0.42 -2.47 0.43 0.00 -1.45 0.00 0.00 42.92 39.01 3hkz s ASP 334 CO 0.37 -1.22 1.82 2.29 0.13 0.00 0.00 175.17 178.55 3hkz n LYS 335 N 7.58 2.05 -0.23 4.34 2.85 -1.26 -3.24 118.16 130.24 3hkz n LYS 335 Ca 0.05 -2.30 0.01 0.00 -1.05 0.00 0.00 58.31 55.02 3hkz n LYS 335 Cb 0.48 -1.90 0.01 0.00 -0.65 0.00 0.00 35.03 32.97 3hkz n LYS 335 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3hkz n ASP 336 N -0.55 0.36 -4.64 -5.58 10.43 -1.26 -4.96 116.55 110.35 3hkz n ASP 336 Ca 0.45 -1.70 -0.41 0.00 2.57 0.00 0.00 54.79 55.69 3hkz n ASP 336 Cb 1.07 -0.13 -0.05 0.00 1.84 0.00 0.00 41.12 43.86 3hkz n ASP 336 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 3hkz s HIS 337 N -0.33 3.32 0.00 1.24 2.46 -1.20 -4.88 115.29 115.90 3hkz s HIS 337 Ca 0.03 1.08 0.00 0.00 0.47 0.00 0.00 55.06 56.64 3hkz s HIS 337 Cb 0.02 -3.00 0.00 0.00 -0.13 0.00 0.00 32.58 29.48 3hkz s HIS 337 CO 0.00 -0.36 0.77 0.66 -2.47 0.00 0.00 174.74 173.35 3hkz n TYR 338 N 5.83 0.00 -1.27 3.88 4.02 -1.26 0.14 117.16 128.50 3hkz n TYR 338 Ca 0.04 -0.39 0.00 0.00 -0.01 0.00 0.00 57.90 57.54 3hkz n TYR 338 Cb 0.48 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 3hkz n TYR 338 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hkz n ALA 339 N 1.54 0.00 -0.12 -0.72 0.00 -1.26 -4.43 120.51 115.52 3hkz n ALA 339 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hkz n ALA 339 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3hkz n ALA 339 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hkz n ASN 340 N 0.00 1.74 -3.68 0.00 5.15 0.37 -4.82 115.26 114.03 3hkz n ASN 340 Ca 0.00 -1.87 -0.18 0.00 -0.60 0.00 0.00 54.58 51.93 3hkz n ASN 340 Cb 0.21 0.00 -0.17 0.00 -0.53 0.00 0.00 39.78 39.29 3hkz n ASN 340 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3hkz s LYS 341 N -0.87 -0.03 0.18 1.20 2.20 -0.78 -4.53 119.74 117.11 3hkz s LYS 341 Ca 0.00 0.44 0.10 0.00 -0.36 0.00 0.00 55.97 56.15 3hkz s LYS 341 Cb 0.00 -0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 35.88 3hkz s LYS 341 CO 0.00 -0.31 -0.17 1.03 -0.36 0.00 0.00 175.35 175.55 3hkz s ARG 342 N 2.12 1.79 0.33 4.03 0.52 -1.17 -4.66 118.95 121.92 3hkz s ARG 342 Ca 0.03 -1.38 -0.01 0.00 -0.52 0.00 0.00 55.73 53.85 3hkz s ARG 342 Cb -0.12 -2.01 0.07 0.00 0.52 0.00 0.00 34.95 33.41 3hkz s ARG 342 CO -0.04 0.42 0.45 1.28 0.02 0.00 0.00 175.30 177.43 3hkz n LEU 343 N 0.19 0.00 -3.32 2.53 4.32 -1.26 -1.78 117.00 117.68 3hkz n LEU 343 Ca -0.12 -0.91 0.01 0.00 -0.02 0.00 0.00 56.01 54.97 3hkz n LEU 343 Cb 0.55 -0.30 -0.03 0.00 -1.62 0.00 0.00 43.42 42.03 3hkz n LEU 343 CO 0.32 -0.73 0.17 -0.13 -1.22 0.00 0.00 177.39 175.80 3hkz s ARG 344 N -3.64 0.55 0.31 3.23 0.52 -1.07 -4.68 118.95 114.17 3hkz s ARG 344 Ca 0.30 1.11 0.07 0.00 -0.52 0.00 0.00 55.73 56.68 3hkz s ARG 344 Cb -0.02 0.57 -0.02 0.00 0.52 0.00 0.00 34.95 36.01 3hkz s ARG 344 CO 0.20 -0.49 0.38 -0.51 0.02 0.00 0.00 175.30 174.90 3hkz s LEU 345 N 2.84 3.92 0.05 2.53 1.02 -1.26 -2.60 118.68 125.19 3hkz s LEU 345 Ca 0.12 -0.23 -0.10 0.00 0.02 0.00 0.00 54.13 53.94 3hkz s LEU 345 Cb -0.14 -2.60 -0.02 0.00 0.02 0.00 0.00 46.19 43.45 3hkz s LEU 345 CO -0.20 -0.32 0.65 0.00 0.02 0.00 0.00 176.35 176.51 3hkz n ALA 346 N -1.49 -0.21 0.00 4.21 0.00 -1.26 -1.64 120.51 120.11 3hkz n ALA 346 Ca -0.03 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3hkz n ALA 346 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3hkz n ALA 346 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkz n GLY 347 N -1.08 0.00 0.00 0.00 0.00 -1.25 0.27 105.19 103.12 3hkz n GLY 347 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 3hkz n GLY 347 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hkz n ASP 348 N 0.00 0.00 -0.00 1.61 3.85 -0.65 -0.37 116.55 120.99 3hkz n ASP 348 Ca 0.00 -0.24 0.06 0.00 -0.71 0.00 0.00 54.79 53.90 3hkz n ASP 348 Cb 0.00 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 39.68 3hkz n ASP 348 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 3hkz n LEU 349 N -0.98 0.27 -0.06 -2.12 7.94 -0.18 -3.53 117.00 118.34 3hkz n LEU 349 Ca 0.05 -0.23 -0.08 0.00 -1.11 0.00 0.00 56.01 54.64 3hkz n LEU 349 Cb 0.02 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.83 3hkz n LEU 349 CO 0.04 0.07 -0.88 0.33 -1.11 0.00 0.00 177.39 175.83 3hkz n PHE 350 N -1.64 0.37 -0.06 1.96 7.35 0.76 -3.95 117.46 122.25 3hkz n PHE 350 Ca -0.00 0.13 -0.14 0.00 -0.76 0.00 0.00 57.45 56.68 3hkz n PHE 350 Cb 0.27 -1.03 -0.06 0.00 0.35 0.00 0.00 39.48 39.00 3hkz n PHE 350 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hkz h ALA 351 N 1.09 0.29 0.00 3.13 0.00 -0.85 -0.02 119.26 122.89 3hkz h ALA 351 Ca -0.41 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.06 3hkz h ALA 351 Cb 2.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 3hkz h ALA 351 CO 0.04 0.29 -0.18 0.77 0.00 0.00 0.00 179.25 180.18 3hkz h SER 352 N 0.18 0.00 0.35 0.00 0.02 -1.75 0.17 113.55 112.53 3hkz h SER 352 Ca 0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3hkz h SER 352 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 3hkz h SER 352 CO 0.07 0.18 -0.17 0.25 -1.14 0.00 0.00 176.83 176.01 3hkz h LEU 353 N 0.00 -0.40 0.55 5.07 5.85 -1.62 -3.26 115.31 121.50 3hkz h LEU 353 Ca -0.00 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 3hkz h LEU 353 Cb 0.62 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3hkz h LEU 353 CO 0.02 0.03 -0.47 0.15 -0.34 0.00 0.00 178.44 177.83 3hkz h PHE 354 N -0.94 -1.29 -0.42 1.25 3.04 -0.50 -1.34 116.94 116.73 3hkz h PHE 354 Ca -0.05 0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.96 3hkz h PHE 354 Cb 0.53 0.49 -0.06 0.00 2.56 0.00 0.00 35.95 39.47 3hkz h PHE 354 CO 0.03 -0.65 -0.19 -2.13 -2.02 0.00 0.00 178.31 173.35 3hkz n ARG 355 N -5.32 -0.13 -0.03 1.11 0.63 0.55 -0.48 116.66 112.99 3hkz n ARG 355 Ca -0.12 0.64 -0.13 0.00 -0.92 0.00 0.00 57.85 57.32 3hkz n ARG 355 Cb 0.44 -0.95 -0.11 0.00 0.45 0.00 0.00 32.46 32.29 3hkz n ARG 355 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 3hkz h VAL 356 N 0.00 1.48 -0.98 5.15 3.04 -1.55 -0.12 116.25 123.27 3hkz h VAL 356 Ca 0.12 -1.62 0.27 0.00 -1.01 0.00 0.00 66.70 64.46 3hkz h VAL 356 Cb 0.23 2.56 -0.18 0.00 -2.01 0.00 0.00 31.29 31.88 3hkz h VAL 356 CO -0.41 0.41 0.03 0.00 -1.01 0.00 0.00 177.57 176.59 3hkz n ALA 357 N -2.48 0.50 0.32 3.17 0.00 0.37 0.74 120.51 123.13 3hkz n ALA 357 Ca -0.09 1.05 -0.15 0.00 0.00 0.00 0.00 53.44 54.25 3hkz n ALA 357 Cb 0.34 -0.77 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 3hkz n ALA 357 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3hkz h PHE 358 N 0.00 -0.78 -0.98 0.00 3.04 -1.00 -3.15 116.94 114.08 3hkz h PHE 358 Ca 0.60 -0.02 0.28 0.00 3.98 0.00 0.00 57.97 62.81 3hkz h PHE 358 Cb 1.23 0.26 -0.04 0.00 2.56 0.00 0.00 35.95 39.96 3hkz h PHE 358 CO -0.49 -0.45 0.93 -0.22 -2.02 0.00 0.00 178.31 176.06 3hkz h LYS 359 N -1.13 0.00 0.18 1.11 1.63 0.23 0.15 116.57 118.74 3hkz h LYS 359 Ca -0.09 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.45 3hkz h LYS 359 Cb 0.68 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.34 3hkz h LYS 359 CO 0.14 0.00 -1.19 0.00 -3.45 0.00 0.00 179.45 174.95 3hkz h ALA 360 N 1.06 -0.06 0.00 5.00 0.00 -0.97 -2.49 119.26 121.80 3hkz h ALA 360 Ca 0.46 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3hkz h ALA 360 Cb 2.31 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 20.31 3hkz h ALA 360 CO -0.00 0.59 -0.14 0.35 0.00 0.00 0.00 179.25 180.05 3hkz h PHE 361 N -0.15 0.00 0.14 0.00 3.57 -0.72 -1.96 116.94 117.82 3hkz h PHE 361 Ca -0.22 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 60.98 3hkz h PHE 361 Cb 1.87 0.00 0.03 0.00 2.79 0.00 0.00 35.95 40.64 3hkz h PHE 361 CO 0.16 0.14 -1.28 0.28 -2.23 0.00 0.00 178.31 175.38 3hkz h VAL 362 N 0.00 1.30 0.00 1.41 2.07 -1.27 -2.43 116.25 117.33 3hkz h VAL 362 Ca -0.00 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.97 3hkz h VAL 362 Cb 0.38 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 3hkz h VAL 362 CO 0.02 0.77 0.00 0.50 0.02 0.00 0.00 177.57 178.88 3hkz h LYS 363 N 0.24 0.00 0.08 1.57 3.64 -1.17 -2.96 116.57 117.96 3hkz h LYS 363 Ca -0.19 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3hkz h LYS 363 Cb 1.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.78 3hkz h LYS 363 CO 0.24 0.00 -0.04 0.22 -2.27 0.00 0.00 179.45 177.60 3hkz h ASP 364 N 0.00 -0.09 -0.29 4.20 3.58 -1.23 -3.17 116.42 119.42 3hkz h ASP 364 Ca 0.00 -0.52 0.06 0.00 0.42 0.00 0.00 57.03 56.99 3hkz h ASP 364 Cb 0.48 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.49 3hkz h ASP 364 CO 0.00 0.54 -0.13 0.25 -2.88 0.00 0.00 179.24 177.02 3hkz h LEU 365 N -0.79 -0.45 -0.52 2.28 5.85 -1.35 0.85 115.31 121.18 3hkz h LEU 365 Ca -0.01 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.92 3hkz h LEU 365 Cb 0.60 0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 3hkz h LEU 365 CO 0.02 -0.17 0.02 0.74 -0.34 0.00 0.00 178.44 178.71 3hkz h THR 366 N -0.09 0.61 -0.06 1.05 2.02 -1.65 1.31 112.91 116.10 3hkz h THR 366 Ca 0.15 -0.05 -0.19 0.00 0.77 0.00 0.00 66.41 67.09 3hkz h THR 366 Cb 0.32 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3hkz h THR 366 CO -0.35 0.03 -0.76 0.22 0.37 0.00 0.00 175.52 175.02 3hkz h TYR 367 N 0.14 0.53 -0.26 3.16 -0.00 -1.32 0.40 116.97 119.62 3hkz h TYR 367 Ca 0.26 -0.24 -0.19 0.00 -0.00 0.00 0.00 58.73 58.56 3hkz h TYR 367 Cb 0.40 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 37.05 3hkz h TYR 367 CO -0.30 1.01 -0.60 0.37 -0.00 0.00 0.00 178.16 178.63 3hkz h GLN 368 N 0.25 0.85 -0.06 1.82 5.75 0.11 -3.32 115.11 120.52 3hkz h GLN 368 Ca -0.04 -0.57 -0.18 0.00 -0.15 0.00 0.00 58.65 57.71 3hkz h GLN 368 Cb 1.34 0.08 0.01 0.00 1.07 0.00 0.00 27.48 29.99 3hkz h GLN 368 CO 0.13 1.20 -0.66 -0.07 -2.65 0.00 0.00 178.83 176.78 3hkz h LEU 369 N 0.64 0.68 -1.14 -2.39 3.38 0.18 -1.96 115.31 114.68 3hkz h LEU 369 Ca -0.00 -0.70 0.19 0.00 0.09 0.00 0.00 57.88 57.46 3hkz h LEU 369 Cb 1.21 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 3hkz h LEU 369 CO 0.13 1.28 0.61 -0.33 0.09 0.00 0.00 178.44 180.22 3hkz h GLU 370 N 0.14 0.67 0.00 1.13 5.08 -0.29 -3.31 114.58 118.00 3hkz h GLU 370 Ca -0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3hkz h GLU 370 Cb 1.32 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3hkz h GLU 370 CO 0.13 0.45 0.00 1.63 -1.00 0.00 0.00 179.01 180.22 3hkz n LYS 371 N -4.68 0.00 0.00 2.33 5.02 -1.24 -4.85 118.16 114.74 3hkz n LYS 371 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 3hkz n LYS 371 Cb 0.59 -0.20 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 3hkz n LYS 371 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hkz n SER 372 N -0.76 0.00 -3.57 4.39 3.41 -0.74 -3.31 113.62 113.04 3hkz n SER 372 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3hkz n SER 372 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 3hkz n SER 372 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3hkz s LYS 373 N 0.00 0.21 0.00 4.33 2.47 -1.26 -4.94 119.74 120.55 3hkz s LYS 373 Ca 0.00 0.63 0.26 0.00 -1.56 0.00 0.00 55.97 55.30 3hkz s LYS 373 Cb 0.00 -0.33 0.69 0.00 -1.46 0.00 0.00 37.83 36.74 3hkz s LYS 373 CO 0.00 -0.42 1.53 0.28 0.16 0.00 0.00 175.35 176.89 3hkz n VAL 374 N 5.35 0.00 -2.80 4.02 0.31 -1.21 -4.92 118.33 119.08 3hkz n VAL 374 Ca -0.06 -0.11 -0.38 0.00 -0.01 0.00 0.00 64.34 63.79 3hkz n VAL 374 Cb 0.50 0.39 -0.06 0.00 -0.91 0.00 0.00 33.84 33.75 3hkz n VAL 374 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hkz s ARG 375 N -2.60 4.62 -0.75 5.55 0.52 -1.26 -4.91 118.95 120.12 3hkz s ARG 375 Ca 0.22 1.32 -0.33 0.00 -0.52 0.00 0.00 55.73 56.41 3hkz s ARG 375 Cb 0.19 -2.92 -0.18 0.00 0.52 0.00 0.00 34.95 32.56 3hkz s ARG 375 CO 0.56 0.35 2.49 0.41 0.02 0.00 0.00 175.30 179.12 3hkz n GLY 376 N 0.80 -0.21 0.35 -3.53 0.00 -1.26 -4.23 105.19 97.11 3hkz n GLY 376 Ca 0.01 1.05 0.00 0.00 0.00 0.00 0.00 46.02 47.08 3hkz n GLY 376 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hkz n ARG 377 N 8.33 0.00 0.00 1.61 0.63 -1.26 -5.09 116.66 120.88 3hkz n ARG 377 Ca 0.57 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.84 3hkz n ARG 377 Cb 0.11 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.02 3hkz n ARG 377 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3hkz n LYS 378 N -0.14 0.00 -2.00 -0.14 3.00 -1.26 -5.05 118.16 112.57 3hkz n LYS 378 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 3hkz n LYS 378 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.05 3hkz n LYS 378 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3hkz n LEU 379 N 0.00 7.36 -4.55 3.14 4.77 -1.26 -4.84 117.00 121.62 3hkz n LEU 379 Ca 0.00 -4.83 -0.40 0.00 -0.03 0.00 0.00 56.01 50.75 3hkz n LEU 379 Cb 0.00 -1.13 -0.03 0.00 -2.33 0.00 0.00 43.42 39.93 3hkz n LEU 379 CO 0.00 1.83 1.32 0.00 -1.33 0.00 0.00 177.39 179.21 3hkz s ALA 380 N -3.60 2.67 0.30 -1.18 0.00 -1.26 -4.87 121.76 113.83 3hkz s ALA 380 Ca 0.51 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3hkz s ALA 380 Cb 0.37 -4.38 0.52 0.00 0.00 0.00 0.00 23.12 19.63 3hkz s ALA 380 CO -0.31 -3.50 1.92 -0.07 0.00 0.00 0.00 175.76 173.80 3hkz h LEU 381 N 13.25 0.91 -0.12 0.00 3.38 -2.00 -0.06 115.31 130.67 3hkz h LEU 381 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hkz h LEU 381 Cb 1.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3hkz h LEU 381 CO 1.33 0.59 0.00 1.17 0.09 0.00 0.00 178.44 181.63 3hkz n LYS 382 N -4.48 0.00 -0.02 1.13 4.81 -1.26 -0.11 118.16 118.23 3hkz n LYS 382 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 3hkz n LYS 382 Cb 0.18 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.23 3hkz n LYS 382 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hkz n ALA 383 N -0.36 1.20 0.00 3.14 0.00 -0.04 -4.76 120.51 119.69 3hkz n ALA 383 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3hkz n ALA 383 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.43 3hkz n ALA 383 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hkz n LEU 384 N -0.08 0.00 -4.72 0.00 4.77 0.84 -5.01 117.00 112.80 3hkz n LEU 384 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3hkz n LEU 384 Cb 0.47 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 3hkz n LEU 384 CO 0.00 0.00 0.87 -0.69 -1.33 0.00 0.00 177.39 176.24 3hkz s VAL 385 N -1.14 3.96 -0.16 4.08 1.01 0.26 -4.65 120.40 123.76 3hkz s VAL 385 Ca 0.00 1.48 -0.08 0.00 0.00 0.00 0.00 61.98 63.38 3hkz s VAL 385 Cb 0.00 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3hkz s VAL 385 CO 0.00 0.15 0.12 -0.13 0.00 0.00 0.00 175.10 175.24 3hkz s ARG 386 N 0.67 3.80 -0.41 2.72 0.52 -1.26 -4.88 118.95 120.11 3hkz s ARG 386 Ca 0.56 -0.21 -0.29 0.00 -0.52 0.00 0.00 55.73 55.28 3hkz s ARG 386 Cb -0.30 -3.27 -0.08 0.00 0.52 0.00 0.00 34.95 31.82 3hkz s ARG 386 CO 0.31 0.51 2.33 -0.35 0.02 0.00 0.00 175.30 178.13 3hkz n PRO 387 N 2.82 1.29 -1.09 3.54 -0.04 -1.26 -3.30 135.00 136.95 3hkz n PRO 387 Ca -0.18 0.24 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 3hkz n PRO 387 Cb 0.53 -3.04 -0.01 0.00 -0.04 0.00 0.00 33.50 30.93 3hkz n PRO 387 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hkz n ASP 388 N 12.93 -3.40 -0.13 3.54 8.00 -1.26 -4.85 116.55 131.38 3hkz n ASP 388 Ca 0.38 0.08 0.17 0.00 0.71 0.00 0.00 54.79 56.13 3hkz n ASP 388 Cb 0.41 -1.19 0.56 0.00 -0.02 0.00 0.00 41.12 40.89 3hkz n ASP 388 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3hkz h ILE 389 N 0.00 0.76 -0.26 0.53 1.08 -1.85 0.45 117.51 118.23 3hkz h ILE 389 Ca -0.07 -0.10 -0.10 0.00 -0.39 0.00 0.00 64.86 64.21 3hkz h ILE 389 Cb 0.21 0.45 -0.00 0.00 -3.07 0.00 0.00 36.82 34.41 3hkz h ILE 389 CO 0.10 0.05 -0.21 0.58 -0.69 0.00 0.00 178.15 177.98 3hkz h VAL 390 N 0.29 1.31 0.16 1.67 2.07 -1.82 -3.34 116.25 116.58 3hkz h VAL 390 Ca 0.35 -1.36 -0.27 0.00 0.82 0.00 0.00 66.70 66.24 3hkz h VAL 390 Cb 0.94 1.62 0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3hkz h VAL 390 CO -0.09 0.43 -1.29 0.74 0.02 0.00 0.00 177.57 177.38 3hkz h THR 391 N 0.32 1.20 0.00 2.57 2.02 -0.57 -3.03 112.91 115.42 3hkz h THR 391 Ca 0.05 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.72 3hkz h THR 391 Cb 0.76 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 3hkz h THR 391 CO 0.05 0.75 0.00 -0.33 0.37 0.00 0.00 175.52 176.36 3hkz h GLU 392 N -0.20 0.00 -0.49 6.66 5.08 -0.83 -0.48 114.58 124.32 3hkz h GLU 392 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3hkz h GLU 392 Cb 1.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.09 3hkz h GLU 392 CO 0.14 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 176.02 3hkz n ARG 393 N -2.42 3.78 0.00 2.33 0.63 -1.23 -3.75 116.66 116.01 3hkz n ARG 393 Ca 0.01 -2.88 0.00 0.00 -0.92 0.00 0.00 57.85 54.06 3hkz n ARG 393 Cb 0.21 -1.93 0.00 0.00 0.45 0.00 0.00 32.46 31.19 3hkz n ARG 393 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 3hkz n ILE 394 N 0.48 0.00 -0.12 5.15 3.06 -0.32 -4.73 119.36 122.88 3hkz n ILE 394 Ca 0.24 -0.15 -0.14 0.00 -2.50 0.00 0.00 62.75 60.20 3hkz n ILE 394 Cb 0.94 0.87 -0.14 0.00 0.54 0.00 0.00 39.64 41.85 3hkz n ILE 394 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 3hkz n ARG 395 N -0.38 0.67 -0.54 9.51 1.85 -0.42 -4.34 116.66 123.02 3hkz n ARG 395 Ca 0.00 0.08 -0.09 0.00 -1.00 0.00 0.00 57.85 56.84 3hkz n ARG 395 Cb 0.00 -1.52 0.04 0.00 -1.05 0.00 0.00 32.46 29.93 3hkz n ARG 395 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 3hkz n HIS 396 N -3.03 0.93 -1.68 2.89 -0.00 -1.25 0.65 115.22 113.74 3hkz n HIS 396 Ca -0.40 -1.22 0.00 0.00 0.46 0.00 0.00 57.72 56.56 3hkz n HIS 396 Cb 1.07 -0.61 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 3hkz n HIS 396 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3hkz n ALA 397 N 0.36 1.06 0.00 1.57 0.00 -1.26 -4.57 120.51 117.68 3hkz n ALA 397 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hkz n ALA 397 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.15 3hkz n ALA 397 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hkz n LEU 398 N 0.00 0.00 -0.05 0.00 7.94 -0.70 -3.32 117.00 120.87 3hkz n LEU 398 Ca 0.00 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.69 3hkz n LEU 398 Cb 0.50 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.32 3hkz n LEU 398 CO 0.00 0.00 -0.92 0.00 -1.11 0.00 0.00 177.39 175.36 3hkz n ALA 399 N -0.76 1.00 -0.11 1.96 0.00 0.21 -4.74 120.51 118.07 3hkz n ALA 399 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 53.44 52.60 3hkz n ALA 399 Cb 0.04 -0.50 -0.13 0.00 0.00 0.00 0.00 19.45 18.86 3hkz n ALA 399 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3hkz n THR 400 N -3.63 1.38 0.00 0.00 5.66 -1.26 -4.90 114.28 111.54 3hkz n THR 400 Ca -0.36 -0.67 0.00 0.00 -3.05 0.00 0.00 64.05 59.97 3hkz n THR 400 Cb 0.97 -0.97 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3hkz n THR 400 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hkz n GLY 401 N 2.08 1.48 0.00 1.09 0.00 -1.26 -4.88 105.19 103.70 3hkz n GLY 401 Ca -0.38 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3hkz n GLY 401 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hkz n ASN 402 N 0.00 0.00 0.00 1.61 2.85 -1.21 -3.99 115.26 114.52 3hkz n ASN 402 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3hkz n ASN 402 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3hkz n ASN 402 CO 0.00 0.00 0.00 1.87 -2.11 0.00 0.00 177.26 177.02 3hkz n TRP 403 N 0.00 0.00 0.00 1.20 -0.00 -1.20 -4.63 117.44 112.81 3hkz n TRP 403 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3hkz n TRP 403 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3hkz n TRP 403 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 3hkz n VAL 404 N 0.00 0.00 -0.18 5.87 0.24 -1.26 -3.40 118.33 119.60 3hkz n VAL 404 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3hkz n VAL 404 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3hkz n VAL 404 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hkz n GLY 405 N 0.00 -0.10 0.00 7.63 0.00 -1.26 -4.86 105.19 106.60 3hkz n GLY 405 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3hkz n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkz n GLY 406 N 5.00 -0.25 3.82 -0.02 0.00 -1.26 -4.84 105.19 107.64 3hkz n GLY 406 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3hkz n GLY 406 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hkz s ARG 407 N -2.45 2.67 0.00 1.61 3.00 -1.22 -5.00 118.95 117.55 3hkz s ARG 407 Ca 0.00 0.81 -0.29 0.00 0.00 0.00 0.00 55.73 56.25 3hkz s ARG 407 Cb 0.00 -1.97 0.07 0.00 0.00 0.00 0.00 34.95 33.05 3hkz s ARG 407 CO 0.00 -1.25 0.67 -0.08 0.00 0.00 0.00 175.30 174.64 3hkz s THR 408 N -3.11 0.00 -0.71 0.02 -1.32 -1.26 -3.27 115.64 106.00 3hkz s THR 408 Ca 0.59 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.95 3hkz s THR 408 Cb -0.14 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.87 3hkz s THR 408 CO 0.55 0.00 0.63 0.61 -2.21 0.00 0.00 174.62 174.19 3hkz n GLY 409 N 0.57 -0.88 0.04 6.08 0.00 -1.26 -4.82 105.19 104.92 3hkz n GLY 409 Ca -0.18 0.78 -0.05 0.00 0.00 0.00 0.00 46.02 46.57 3hkz n GLY 409 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hkz n VAL 410 N -1.83 0.45 -3.23 1.61 0.31 -1.26 -4.90 118.33 109.47 3hkz n VAL 410 Ca -0.23 -0.20 -0.19 0.00 -0.01 0.00 0.00 64.34 63.70 3hkz n VAL 410 Cb 0.68 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 3hkz n VAL 410 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3hkz s SER 411 N -4.48 5.83 0.01 4.52 1.04 -1.25 -0.02 113.70 119.35 3hkz s SER 411 Ca -0.09 -0.16 -0.28 0.00 0.48 0.00 0.00 55.95 55.91 3hkz s SER 411 Cb 0.03 -1.12 0.10 0.00 0.10 0.00 0.00 66.02 65.12 3hkz s SER 411 CO 0.21 -0.60 0.84 0.00 0.98 0.00 0.00 173.24 174.67 3hkz s GLN 412 N -4.31 0.89 -0.20 4.02 -2.07 0.22 -4.71 119.66 113.50 3hkz s GLN 412 Ca 0.49 -0.29 -0.30 0.00 -1.82 0.00 0.00 55.36 53.44 3hkz s GLN 412 Cb -0.10 0.41 -0.07 0.00 -1.09 0.00 0.00 33.01 32.17 3hkz s GLN 412 CO 0.33 -0.38 2.17 -0.11 -1.32 0.00 0.00 175.29 175.98 3hkz n LEU 413 N -0.17 3.22 -4.52 2.60 7.94 -1.26 0.04 117.00 124.85 3hkz n LEU 413 Ca -0.11 0.37 -0.56 0.00 -1.11 0.00 0.00 56.01 54.60 3hkz n LEU 413 Cb 0.62 -1.50 -0.08 0.00 0.53 0.00 0.00 43.42 42.99 3hkz n LEU 413 CO 0.12 -0.54 1.57 -0.11 -1.11 0.00 0.00 177.39 177.32 3hkz n LEU 414 N 10.58 1.87 -4.58 -1.96 7.94 -0.62 -4.83 117.00 125.40 3hkz n LEU 414 Ca 0.30 0.76 -0.41 0.00 -1.11 0.00 0.00 56.01 55.56 3hkz n LEU 414 Cb 0.40 -1.11 -0.03 0.00 0.53 0.00 0.00 43.42 43.21 3hkz n LEU 414 CO 0.68 -0.63 1.70 -0.62 -1.11 0.00 0.00 177.39 177.41 3hkz s ASP 415 N 5.39 5.39 0.00 1.96 2.15 -1.26 -4.84 116.67 125.46 3hkz s ASP 415 Ca 1.08 1.15 0.23 0.00 0.43 0.00 0.00 52.55 55.44 3hkz s ASP 415 Cb -1.12 -2.52 0.50 0.00 -0.30 0.00 0.00 42.92 39.48 3hkz s ASP 415 CO 0.61 -2.13 1.44 -1.14 -0.17 0.00 0.00 175.17 173.78 3hkz n ARG 416 N 8.77 2.52 -1.51 4.34 3.00 -1.26 -3.21 116.66 129.32 3hkz n ARG 416 Ca 0.26 -2.32 -0.46 0.00 -0.00 0.00 0.00 57.85 55.34 3hkz n ARG 416 Cb 0.49 -1.52 -0.06 0.00 0.00 0.00 0.00 32.46 31.37 3hkz n ARG 416 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3hkz n THR 417 N 1.48 0.19 -1.60 5.15 -1.04 -1.26 -4.57 114.28 112.62 3hkz n THR 417 Ca 0.21 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3hkz n THR 417 Cb 0.60 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 3hkz n THR 417 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3hkz n ASN 418 N 11.38 -7.83 0.26 8.00 5.15 -1.26 -4.28 115.26 126.68 3hkz n ASN 418 Ca 0.38 1.34 -0.18 0.00 -0.60 0.00 0.00 54.58 55.53 3hkz n ASN 418 Cb 0.33 -4.79 -0.10 0.00 -0.53 0.00 0.00 39.78 34.70 3hkz n ASN 418 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 3hkz h TRP 419 N 1.16 -1.40 -0.95 1.20 7.01 -1.73 -3.13 115.95 118.10 3hkz h TRP 419 Ca 0.00 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.12 3hkz h TRP 419 Cb 0.30 0.55 -0.13 0.00 -2.10 0.00 0.00 29.16 27.78 3hkz h TRP 419 CO 0.02 -0.65 -0.51 -0.11 -2.79 0.00 0.00 178.44 174.40 3hkz n LEU 420 N -5.55 -0.90 -0.33 0.65 7.94 -1.26 -1.30 117.00 116.25 3hkz n LEU 420 Ca -0.11 1.69 0.09 0.00 -1.11 0.00 0.00 56.01 56.57 3hkz n LEU 420 Cb 0.45 -0.27 0.20 0.00 0.53 0.00 0.00 43.42 44.34 3hkz n LEU 420 CO 0.25 -1.42 0.74 -1.28 -1.11 0.00 0.00 177.39 174.58 3hkz h SER 421 N 0.00 -0.65 -0.02 1.96 0.87 -1.73 0.23 113.55 114.21 3hkz h SER 421 Ca 0.21 0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 61.04 3hkz h SER 421 Cb 0.44 0.52 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 3hkz h SER 421 CO -0.91 -0.32 0.01 -0.03 -0.53 0.00 0.00 176.83 175.05 3hkz h MET 422 N 0.01 0.02 -0.95 2.24 1.85 -1.16 0.56 114.93 117.51 3hkz h MET 422 Ca 0.52 -0.00 0.14 0.00 -0.61 0.00 0.00 59.70 59.75 3hkz h MET 422 Cb 0.94 -0.00 -0.08 0.00 0.43 0.00 0.00 31.60 32.88 3hkz h MET 422 CO -0.93 0.10 0.60 -0.07 -0.40 0.00 0.00 176.91 176.22 3hkz h LEU 423 N -0.06 0.77 -0.29 3.39 3.38 -0.44 -1.20 115.31 120.86 3hkz h LEU 423 Ca 0.01 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 3hkz h LEU 423 Cb 0.09 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hkz h LEU 423 CO -0.00 0.38 -0.43 -1.28 0.09 0.00 0.00 178.44 177.20 3hkz h SER 424 N 0.81 0.88 -1.01 -0.43 0.87 0.11 -3.15 113.55 111.63 3hkz h SER 424 Ca 0.49 -0.51 0.24 0.00 -1.23 0.00 0.00 61.79 60.77 3hkz h SER 424 Cb 0.67 -0.25 -0.10 0.00 -0.44 0.00 0.00 62.40 62.28 3hkz h SER 424 CO -0.25 1.22 0.63 -0.74 -0.53 0.00 0.00 176.83 177.16 3hkz h HIS 425 N 0.57 0.83 -0.17 2.24 6.17 0.13 -1.99 115.15 122.93 3hkz h HIS 425 Ca 0.03 0.03 -0.19 0.00 0.71 0.00 0.00 60.37 60.94 3hkz h HIS 425 Cb 1.03 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 30.71 3hkz h HIS 425 CO 0.07 0.11 -0.68 -0.07 0.71 0.00 0.00 177.93 178.08 3hkz h LEU 426 N 0.53 0.78 -0.35 0.26 3.38 -1.44 -2.98 115.31 115.50 3hkz h LEU 426 Ca 0.59 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hkz h LEU 426 Cb 1.26 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3hkz h LEU 426 CO -0.35 1.24 0.00 0.54 0.09 0.00 0.00 178.44 179.97 3hkz n ARG 427 N -3.93 1.24 -2.93 1.13 1.74 -0.78 -4.81 116.66 108.32 3hkz n ARG 427 Ca -0.05 -0.34 -0.38 0.00 -0.77 0.00 0.00 57.85 56.31 3hkz n ARG 427 Cb 0.69 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 3hkz n ARG 427 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hkz s ARG 428 N -1.99 4.51 -0.05 5.56 0.52 -1.03 -2.63 118.95 123.84 3hkz s ARG 428 Ca 0.42 1.16 0.04 0.00 -0.52 0.00 0.00 55.73 56.83 3hkz s ARG 428 Cb 0.21 -3.02 -0.00 0.00 0.52 0.00 0.00 34.95 32.66 3hkz s ARG 428 CO 0.34 0.43 -0.18 0.14 0.02 0.00 0.00 175.30 176.05 3hkz s VAL 429 N -1.40 1.50 0.38 3.52 -7.23 -0.17 -3.81 120.40 113.19 3hkz s VAL 429 Ca 0.43 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 3hkz s VAL 429 Cb -0.20 -1.30 -0.02 0.00 0.56 0.00 0.00 36.38 35.42 3hkz s VAL 429 CO 0.25 0.43 0.59 -0.63 -0.31 0.00 0.00 175.10 175.43 3hkz s ILE 430 N 0.17 4.78 0.55 -0.62 -1.09 -0.94 -1.19 121.20 122.86 3hkz s ILE 430 Ca -0.07 -0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 57.88 3hkz s ILE 430 Cb -0.13 -3.75 0.02 0.00 -1.58 0.00 0.00 42.46 37.02 3hkz s ILE 430 CO 0.03 -0.51 0.81 -0.94 -1.23 0.00 0.00 174.94 173.11 3hkz s SER 431 N -4.09 5.44 0.18 3.58 1.04 -1.24 -1.73 113.70 116.88 3hkz s SER 431 Ca 0.43 0.32 -0.33 0.00 0.48 0.00 0.00 55.95 56.85 3hkz s SER 431 Cb -0.10 -1.30 -0.13 0.00 0.10 0.00 0.00 66.02 64.59 3hkz s SER 431 CO 0.37 -1.06 1.67 -0.24 0.98 0.00 0.00 173.24 174.95 3hkz n SER 432 N -2.41 3.60 0.00 7.02 2.88 -0.64 -4.50 113.62 119.57 3hkz n SER 432 Ca 0.05 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 3hkz n SER 432 Cb 0.59 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 3hkz n SER 432 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hkz n LEU 433 N 3.86 0.00 0.00 2.46 4.77 -1.26 -4.65 117.00 122.17 3hkz n LEU 433 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3hkz n LEU 433 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3hkz n LEU 433 CO 0.64 0.00 -0.41 0.00 -1.33 0.00 0.00 177.39 176.29 3hkz n ALA 434 N 9.43 2.96 -2.49 -1.18 0.00 -1.26 -4.93 120.51 123.03 3hkz n ALA 434 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3hkz n ALA 434 Cb 0.00 0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3hkz n ALA 434 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hkz n ARG 435 N -2.88 -2.58 -2.48 0.00 1.74 -1.26 -4.94 116.66 104.25 3hkz n ARG 435 Ca 0.00 2.21 -0.39 0.00 -0.77 0.00 0.00 57.85 58.89 3hkz n ARG 435 Cb 0.41 -4.58 -0.03 0.00 -1.02 0.00 0.00 32.46 27.23 3hkz n ARG 435 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hkz s GLY 436 N -1.54 1.00 0.09 -0.13 0.00 -1.26 -4.89 107.32 100.59 3hkz s GLY 436 Ca 0.05 -1.89 -0.02 0.00 0.00 0.00 0.00 44.72 42.85 3hkz s GLY 436 CO 0.62 2.80 0.16 -1.06 0.00 0.00 0.00 173.10 175.63 3hkz n GLN 437 N 9.02 0.23 -2.66 2.90 1.13 -1.26 -5.07 117.38 121.67 3hkz n GLN 437 Ca 0.26 -0.61 -0.41 0.00 -1.94 0.00 0.00 57.00 54.30 3hkz n GLN 437 Cb 0.50 0.68 0.02 0.00 0.11 0.00 0.00 30.24 31.55 3hkz n GLN 437 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3hkz n PRO 438 N -0.14 5.34 -2.61 -1.09 -0.04 -1.26 -4.99 135.00 130.21 3hkz n PRO 438 Ca -0.01 -4.63 -0.43 0.00 -0.04 0.00 0.00 63.50 58.40 3hkz n PRO 438 Cb 0.15 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.10 3hkz n PRO 438 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3hkz s ASN 439 N -1.34 6.52 0.05 3.54 0.01 -1.26 -4.78 114.94 117.68 3hkz s ASN 439 Ca 0.39 0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.78 3hkz s ASN 439 Cb 0.18 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.29 3hkz s ASN 439 CO -0.10 -1.36 0.00 0.49 -1.51 0.00 0.00 177.10 174.61 3hkz n PHE 440 N 8.11 -0.36 0.41 2.20 3.01 -1.26 -4.81 117.46 124.76 3hkz n PHE 440 Ca 0.10 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.62 3hkz n PHE 440 Cb 0.49 0.31 0.00 0.00 -0.01 0.00 0.00 39.48 40.27 3hkz n PHE 440 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3hkz n GLU 441 N -2.89 0.69 -0.28 -1.08 2.13 -1.26 -2.79 120.64 115.16 3hkz n GLU 441 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3hkz n GLU 441 Cb 0.16 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.71 3hkz n GLU 441 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hkz n ALA 442 N 0.93 1.55 -0.01 4.31 0.00 -1.26 -4.86 120.51 121.17 3hkz n ALA 442 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 53.44 53.00 3hkz n ALA 442 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 3hkz n ALA 442 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hkz n ARG 443 N 0.00 3.58 -2.05 0.00 1.74 -1.12 -4.74 116.66 114.07 3hkz n ARG 443 Ca 0.00 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 3hkz n ARG 443 Cb 0.56 -1.04 -0.02 0.00 -1.02 0.00 0.00 32.46 30.94 3hkz n ARG 443 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3hkz s ASP 444 N -3.22 6.70 -0.42 0.55 1.47 -1.26 -4.65 116.67 115.83 3hkz s ASP 444 Ca -0.01 2.67 -0.40 0.00 1.18 0.00 0.00 52.55 56.00 3hkz s ASP 444 Cb 0.00 -2.63 -0.15 0.00 -0.34 0.00 0.00 42.92 39.80 3hkz s ASP 444 CO 0.06 -0.64 2.16 0.18 0.68 0.00 0.00 175.17 177.61 3hkz n LEU 445 N 1.74 1.45 -4.78 2.11 4.77 -1.26 -4.84 117.00 116.19 3hkz n LEU 445 Ca 0.04 0.55 -0.32 0.00 -0.03 0.00 0.00 56.01 56.25 3hkz n LEU 445 Cb 0.41 -1.08 0.07 0.00 -2.33 0.00 0.00 43.42 40.48 3hkz n LEU 445 CO 0.60 -0.75 0.71 -2.28 -1.33 0.00 0.00 177.39 174.34 3hkz s HIS 446 N 6.63 2.72 0.14 -1.77 5.65 -1.26 -4.89 115.29 122.51 3hkz s HIS 446 Ca 1.15 1.53 -0.16 0.00 0.25 0.00 0.00 55.06 57.83 3hkz s HIS 446 Cb -1.18 -3.04 0.08 0.00 -1.18 0.00 0.00 32.58 27.26 3hkz s HIS 446 CO 0.58 -1.61 1.06 0.41 -0.65 0.00 0.00 174.74 174.53 3hkz n GLY 447 N -1.17 -1.56 0.00 1.59 0.00 -1.26 -4.12 105.19 98.68 3hkz n GLY 447 Ca 0.09 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.90 3hkz n GLY 447 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hkz n THR 448 N -4.95 0.00 0.00 2.61 -1.04 -1.26 -4.31 114.28 105.34 3hkz n THR 448 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3hkz n THR 448 Cb 0.24 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 3hkz n THR 448 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkz n GLN 449 N 0.00 0.00 -1.99 -2.82 6.02 -1.26 -4.82 117.38 112.50 3hkz n GLN 449 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 3hkz n GLN 449 Cb 0.00 -3.21 -0.03 0.00 1.02 0.00 0.00 30.24 28.02 3hkz n GLN 449 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 3hkz s TRP 450 N 0.00 2.61 -1.35 1.08 -0.00 -1.26 -0.53 118.94 119.49 3hkz s TRP 450 Ca 0.00 0.48 -0.11 0.00 -0.00 0.00 0.00 56.10 56.47 3hkz s TRP 450 Cb 0.00 -3.89 0.08 0.00 -0.00 0.00 0.00 33.47 29.66 3hkz s TRP 450 CO 0.00 -3.48 0.56 0.41 -0.00 0.00 0.00 176.95 174.43 3hkz n GLY 451 N 3.88 -0.48 1.65 5.86 0.00 -1.26 -4.72 105.19 110.12 3hkz n GLY 451 Ca 0.15 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3hkz n GLY 451 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz n ARG 452 N -3.87 0.00 -4.41 1.61 1.74 -0.39 -4.61 116.66 106.73 3hkz n ARG 452 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.74 3hkz n ARG 452 Cb 0.53 -0.13 -0.10 0.00 -1.02 0.00 0.00 32.46 31.74 3hkz n ARG 452 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3hkz s MET 453 N -1.72 3.02 0.41 5.56 -1.94 0.32 0.63 119.30 125.57 3hkz s MET 453 Ca 0.00 -0.44 -0.25 0.00 -1.71 0.00 0.00 55.69 53.29 3hkz s MET 453 Cb 0.00 -2.78 -0.10 0.00 2.01 0.00 0.00 34.83 33.96 3hkz s MET 453 CO 0.00 0.65 1.17 0.00 -0.01 0.00 0.00 175.02 176.83 3hkz h PRO 455 N 1.92 0.00 0.00 0.00 0.13 -1.88 -3.42 132.00 128.75 3hkz h PRO 455 Ca -0.46 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 3hkz h PRO 455 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 3hkz h PRO 455 CO 0.59 0.00 -1.65 1.19 -0.23 0.00 0.00 178.00 177.90 3hkz n PHE 456 N -2.53 0.00 -1.53 1.56 3.72 -1.26 -4.90 117.46 112.53 3hkz n PHE 456 Ca 0.04 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.15 3hkz n PHE 456 Cb 0.48 -0.69 -0.12 0.00 -0.94 0.00 0.00 39.48 38.21 3hkz n PHE 456 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hkz n GLU 457 N -4.32 0.40 -3.69 -1.08 4.71 -1.26 -4.45 120.64 110.94 3hkz n GLU 457 Ca -0.31 -0.21 -0.12 0.00 -0.01 0.00 0.00 57.16 56.51 3hkz n GLU 457 Cb 0.67 -2.42 -0.09 0.00 -1.01 0.00 0.00 31.44 28.59 3hkz n GLU 457 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3hkz s THR 458 N 9.09 -0.01 0.41 2.62 2.01 -1.26 -3.63 115.64 124.87 3hkz s THR 458 Ca 1.15 0.02 -0.26 0.00 0.31 0.00 0.00 61.69 62.91 3hkz s THR 458 Cb -0.61 -0.71 -0.10 0.00 0.01 0.00 0.00 72.50 71.09 3hkz s THR 458 CO 0.35 0.01 1.24 -0.81 -0.69 0.00 0.00 174.62 174.72 3hkz n PRO 459 N 3.32 1.89 -2.35 4.92 -0.04 -1.26 -4.87 135.00 136.60 3hkz n PRO 459 Ca -0.17 0.67 -0.42 0.00 -0.04 0.00 0.00 63.50 63.54 3hkz n PRO 459 Cb 0.56 -2.33 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 3hkz n PRO 459 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hkz s GLU 460 N -2.13 4.40 0.00 0.54 2.02 -1.26 -3.71 118.70 118.56 3hkz s GLU 460 Ca 0.60 1.85 0.00 0.00 0.02 0.00 0.00 54.97 57.44 3hkz s GLU 460 Cb -0.53 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.37 3hkz s GLU 460 CO 0.59 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.96 3hkz n GLY 461 N 3.30 0.70 0.35 -1.39 0.00 -1.26 -4.76 105.19 102.13 3hkz n GLY 461 Ca 0.10 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 3hkz n GLY 461 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hkz h PRO 462 N 0.00 -0.80 0.00 1.61 0.11 -2.04 -2.46 132.00 128.42 3hkz h PRO 462 Ca 0.00 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3hkz h PRO 462 Cb 0.00 0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3hkz h PRO 462 CO 0.00 -0.50 0.00 0.09 -0.21 0.00 0.00 178.00 177.38 3hkz n ASN 463 N -5.35 0.00 -4.68 -2.05 4.13 -1.26 -4.86 115.26 101.18 3hkz n ASN 463 Ca -0.11 -0.68 -0.42 0.00 1.68 0.00 0.00 54.58 55.04 3hkz n ASN 463 Cb 0.35 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.56 3hkz n ASN 463 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3hkz s SER 464 N -1.74 6.44 0.00 6.41 0.15 -0.93 -2.05 113.70 121.97 3hkz s SER 464 Ca 0.08 2.72 0.00 0.00 0.70 0.00 0.00 55.95 59.45 3hkz s SER 464 Cb 0.04 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3hkz s SER 464 CO 0.06 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.09 3hkz n GLY 465 N 4.34 2.52 0.13 9.45 0.00 -1.26 -4.84 105.19 115.52 3hkz n GLY 465 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3hkz n GLY 465 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hkz n LEU 466 N 0.00 2.06 -4.84 0.99 4.77 -0.87 -4.60 117.00 114.51 3hkz n LEU 466 Ca 0.00 0.32 -0.36 0.00 -0.03 0.00 0.00 56.01 55.94 3hkz n LEU 466 Cb 0.00 -0.91 -0.06 0.00 -2.33 0.00 0.00 43.42 40.12 3hkz n LEU 466 CO 0.00 0.51 0.18 0.54 -1.33 0.00 0.00 177.39 177.29 3hkz s VAL 467 N -2.46 4.93 0.15 4.08 0.11 -1.07 -3.59 120.40 122.55 3hkz s VAL 467 Ca -0.33 0.81 -0.13 0.00 -2.93 0.00 0.00 61.98 59.40 3hkz s VAL 467 Cb 0.10 -3.74 0.01 0.00 -1.53 0.00 0.00 36.38 31.23 3hkz s VAL 467 CO 0.56 0.38 0.36 -1.59 -3.33 0.00 0.00 175.10 171.47 3hkz s LYS 468 N -1.62 1.16 0.46 1.54 -2.85 -0.33 -4.58 119.74 113.51 3hkz s LYS 468 Ca 0.32 -0.97 -0.01 0.00 -1.00 0.00 0.00 55.97 54.31 3hkz s LYS 468 Cb -0.16 0.43 -0.01 0.00 -2.06 0.00 0.00 37.83 36.03 3hkz s LYS 468 CO 0.18 -0.44 0.71 -0.80 0.10 0.00 0.00 175.35 175.09 3hkz s ASN 469 N -2.90 5.92 0.52 0.03 0.02 -1.24 -1.00 114.94 116.31 3hkz s ASN 469 Ca 0.10 0.47 -0.15 0.00 -1.02 0.00 0.00 52.86 52.27 3hkz s ASN 469 Cb 0.02 -1.74 -0.07 0.00 0.02 0.00 0.00 41.25 39.48 3hkz s ASN 469 CO -0.05 -0.68 0.97 -0.76 0.02 0.00 0.00 177.10 176.60 3hkz s LEU 470 N -4.62 3.57 1.04 0.60 1.43 -1.08 -2.86 118.68 116.77 3hkz s LEU 470 Ca 0.48 1.49 -0.15 0.00 -1.03 0.00 0.00 54.13 54.93 3hkz s LEU 470 Cb -0.10 -4.45 0.21 0.00 0.03 0.00 0.00 46.19 41.88 3hkz s LEU 470 CO 0.40 -0.62 1.12 0.00 0.23 0.00 0.00 176.35 177.48 3hkz s ALA 471 N -2.70 1.10 0.57 4.21 0.00 0.20 -3.89 121.76 121.26 3hkz s ALA 471 Ca 0.57 -0.63 0.31 0.00 0.00 0.00 0.00 51.96 52.21 3hkz s ALA 471 Cb -0.10 -3.01 1.84 0.00 0.00 0.00 0.00 23.12 21.85 3hkz s ALA 471 CO 0.35 -2.92 2.24 -0.07 0.00 0.00 0.00 175.76 175.37 3hkz h LEU 472 N -1.99 0.00 0.00 0.00 3.38 -1.38 -3.44 115.31 111.87 3hkz h LEU 472 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3hkz h LEU 472 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3hkz h LEU 472 CO 0.51 0.02 0.00 1.15 0.09 0.00 0.00 178.44 180.21 3hkz n MET 473 N -3.73 0.00 -2.71 1.13 0.00 -1.25 -4.85 117.12 105.70 3hkz n MET 473 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.60 3hkz n MET 473 Cb 0.10 0.00 0.09 0.00 0.00 0.00 0.00 33.22 33.42 3hkz n MET 473 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hkz n ALA 474 N 0.00 -0.76 -1.02 3.17 0.00 -1.25 -4.81 120.51 115.84 3hkz n ALA 474 Ca 0.00 -1.22 0.13 0.00 0.00 0.00 0.00 53.44 52.35 3hkz n ALA 474 Cb 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.01 3hkz n ALA 474 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3hkz n GLN 475 N 0.12 -2.19 -3.83 0.00 7.27 -1.26 -4.82 117.38 112.66 3hkz n GLN 475 Ca 0.00 1.61 -0.35 0.00 0.07 0.00 0.00 57.00 58.33 3hkz n GLN 475 Cb 0.74 -2.62 -0.10 0.00 2.41 0.00 0.00 30.24 30.68 3hkz n GLN 475 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3hkz s ILE 476 N -2.75 4.99 0.67 1.69 -1.09 -1.26 -3.80 121.20 119.66 3hkz s ILE 476 Ca 0.00 0.05 -0.15 0.00 -2.23 0.00 0.00 60.65 58.32 3hkz s ILE 476 Cb 0.00 -3.29 0.01 0.00 -1.58 0.00 0.00 42.46 37.60 3hkz s ILE 476 CO 0.00 0.41 1.12 0.00 -1.23 0.00 0.00 174.94 175.24 3hkz s ALA 477 N 0.74 2.41 -0.27 9.38 0.00 -1.20 -4.76 121.76 128.06 3hkz s ALA 477 Ca 0.05 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.69 3hkz s ALA 477 Cb -0.13 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 3hkz s ALA 477 CO 0.02 -1.37 0.28 1.33 0.00 0.00 0.00 175.76 176.02 3hkz n VAL 478 N -2.46 0.00 -4.88 0.00 0.24 -1.26 0.77 118.33 110.73 3hkz n VAL 478 Ca 0.11 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3hkz n VAL 478 Cb 0.52 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 3hkz n VAL 478 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hkz n GLY 479 N 1.38 0.97 3.22 7.63 0.00 -1.24 -3.33 105.19 113.82 3hkz n GLY 479 Ca 0.01 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 3hkz n GLY 479 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 480 N 0.00 0.03 0.30 -0.61 1.09 -1.26 -4.91 121.20 115.84 3hkz s ILE 480 Ca 0.00 -2.00 -0.29 0.00 -1.10 0.00 0.00 60.65 57.26 3hkz s ILE 480 Cb 0.00 -2.51 -0.11 0.00 -1.06 0.00 0.00 42.46 38.79 3hkz s ILE 480 CO 0.00 0.00 1.51 0.21 -0.10 0.00 0.00 174.94 176.56 3hkz s ASN 481 N -3.20 6.47 0.00 3.58 2.47 -1.26 -4.23 114.94 118.77 3hkz s ASN 481 Ca 0.39 2.88 0.00 0.00 0.42 0.00 0.00 52.86 56.55 3hkz s ASN 481 Cb 0.06 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 3hkz s ASN 481 CO 0.14 -0.82 0.45 -0.62 -3.72 0.00 0.00 177.10 172.53 3hkz n GLU 482 N 1.75 0.00 0.00 0.43 1.02 -1.26 -3.96 120.64 118.62 3hkz n GLU 482 Ca 0.06 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 3hkz n GLU 482 Cb 0.39 -0.95 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 3hkz n GLU 482 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hkz n ARG 483 N -0.66 0.00 0.00 3.49 5.12 -1.26 0.32 116.66 123.67 3hkz n ARG 483 Ca 0.00 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.94 3hkz n ARG 483 Cb 0.00 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.37 3hkz n ARG 483 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3hkz n ILE 484 N -0.98 1.71 -0.09 0.55 -0.00 -1.25 -1.95 119.36 117.34 3hkz n ILE 484 Ca 0.00 0.43 -0.18 0.00 -0.00 0.00 0.00 62.75 63.00 3hkz n ILE 484 Cb 0.00 -1.37 -0.06 0.00 -0.00 0.00 0.00 39.64 38.21 3hkz n ILE 484 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 3hkz n VAL 485 N -1.48 1.28 0.00 1.39 0.31 0.95 -3.86 118.33 116.91 3hkz n VAL 485 Ca 0.01 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3hkz n VAL 485 Cb 0.04 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 3hkz n VAL 485 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3hkz n GLU 486 N -4.06 0.00 -0.07 5.55 0.28 -1.08 -0.32 120.64 120.93 3hkz n GLU 486 Ca -0.33 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.58 3hkz n GLU 486 Cb 0.68 -1.47 -0.06 0.00 1.43 0.00 0.00 31.44 32.01 3hkz n GLU 486 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3hkz n LYS 487 N -0.88 0.35 0.19 3.44 5.02 -0.82 -4.12 118.16 121.33 3hkz n LYS 487 Ca 0.00 0.08 0.12 0.00 -2.02 0.00 0.00 58.31 56.49 3hkz n LYS 487 Cb 0.00 -1.27 0.65 0.00 -0.02 0.00 0.00 35.03 34.38 3hkz n LYS 487 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3hkz h THR 488 N -0.00 0.00 0.03 -0.18 2.02 -0.78 0.18 112.91 114.18 3hkz h THR 488 Ca -0.31 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 3hkz h THR 488 Cb 1.48 0.53 0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3hkz h THR 488 CO -0.05 0.00 -0.25 -0.07 0.37 0.00 0.00 175.52 175.53 3hkz h LEU 489 N 0.00 0.16 -1.01 2.58 3.38 -1.42 -3.08 115.31 115.91 3hkz h LEU 489 Ca 0.00 -0.92 0.15 0.00 0.09 0.00 0.00 57.88 57.21 3hkz h LEU 489 Cb 0.08 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 3hkz h LEU 489 CO 0.00 1.06 0.62 1.88 0.09 0.00 0.00 178.44 182.10 3hkz h TYR 490 N -0.71 1.11 0.00 1.13 0.05 -0.82 0.35 116.97 118.07 3hkz h TYR 490 Ca -0.04 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 3hkz h TYR 490 Cb 1.13 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.52 3hkz h TYR 490 CO 0.23 0.35 -0.22 0.93 -1.05 0.00 0.00 178.16 178.40 3hkz h GLU 491 N 0.88 0.00 -0.40 4.88 5.08 -1.50 -2.63 114.58 120.89 3hkz h GLU 491 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 3hkz h GLU 491 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3hkz h GLU 491 CO -0.32 0.22 0.00 -1.33 -1.00 0.00 0.00 179.01 176.58 3hkz n MET 492 N -3.64 1.94 0.00 2.33 2.81 0.11 -4.87 117.12 115.79 3hkz n MET 492 Ca -0.01 -1.36 0.00 0.00 -1.81 0.00 0.00 57.70 54.52 3hkz n MET 492 Cb 0.35 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 3hkz n MET 492 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hkz n GLY 493 N 1.04 0.67 3.65 3.03 0.00 -0.86 -5.05 105.19 107.68 3hkz n GLY 493 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3hkz n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkz s VAL 494 N -2.00 3.61 -0.16 1.61 1.01 -0.44 -4.92 120.40 119.11 3hkz s VAL 494 Ca 0.00 0.73 -0.23 0.00 0.00 0.00 0.00 61.98 62.48 3hkz s VAL 494 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 3hkz s VAL 494 CO 0.00 -0.11 0.70 -0.69 0.00 0.00 0.00 175.10 175.00 3hkz s VAL 495 N 4.39 4.99 0.26 2.92 1.01 -1.20 -4.17 120.40 128.60 3hkz s VAL 495 Ca 0.73 1.37 -0.31 0.00 0.00 0.00 0.00 61.98 63.78 3hkz s VAL 495 Cb -0.31 -4.02 -0.13 0.00 0.00 0.00 0.00 36.38 31.92 3hkz s VAL 495 CO 0.29 0.12 1.49 -2.65 0.00 0.00 0.00 175.10 174.35 3hkz n PRO 496 N 4.77 2.31 0.05 2.72 -0.02 -1.26 -2.96 135.00 140.60 3hkz n PRO 496 Ca 0.00 0.82 -0.14 0.00 -2.02 0.00 0.00 63.50 62.16 3hkz n PRO 496 Cb 0.50 -2.53 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 3hkz n PRO 496 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hkz h VAL 497 N 3.17 0.00 -0.89 -1.45 2.07 -1.58 -3.16 116.25 114.41 3hkz h VAL 497 Ca -0.46 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.30 3hkz h VAL 497 Cb 1.25 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.89 3hkz h VAL 497 CO 0.77 0.00 0.30 -0.33 0.02 0.00 0.00 177.57 178.34 3hkz h GLU 498 N -0.62 0.26 0.00 1.57 5.08 -1.92 0.72 114.58 119.68 3hkz h GLU 498 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hkz h GLU 498 Cb 0.66 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3hkz h GLU 498 CO -0.33 0.17 0.42 0.93 -1.00 0.00 0.00 179.01 179.21 3hkz h GLU 499 N 0.26 0.00 -5.53 2.33 5.08 -1.95 -3.38 114.58 111.39 3hkz h GLU 499 Ca 0.57 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 58.30 3hkz h GLU 499 Cb 1.15 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.26 3hkz h GLU 499 CO -0.62 0.00 0.18 0.08 -1.00 0.00 0.00 179.01 177.65 3hkz s VAL 500 N -3.36 4.85 -0.33 3.13 1.01 0.24 -5.12 120.40 120.83 3hkz s VAL 500 Ca -0.01 0.58 0.13 0.00 0.00 0.00 0.00 61.98 62.67 3hkz s VAL 500 Cb 0.03 -4.12 0.46 0.00 0.00 0.00 0.00 36.38 32.76 3hkz s VAL 500 CO 0.11 -0.37 1.09 -0.38 0.00 0.00 0.00 175.10 175.54 3hkz n ILE 501 N 5.66 1.79 0.00 2.22 -0.00 -1.26 -5.09 119.36 122.68 3hkz n ILE 501 Ca -0.01 -3.79 0.00 0.00 -0.00 0.00 0.00 62.75 58.95 3hkz n ILE 501 Cb 0.48 -0.12 0.00 0.00 -0.00 0.00 0.00 39.64 40.00 3hkz n ILE 501 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 3hkz n LEU 515 N -0.46 0.00 -0.52 1.39 4.32 -1.26 -5.18 117.00 115.29 3hkz n LEU 515 Ca 0.25 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.35 3hkz n LEU 515 Cb 0.81 0.25 0.42 0.00 -1.62 0.00 0.00 43.42 43.27 3hkz n LEU 515 CO 0.27 -0.25 0.80 0.29 -1.22 0.00 0.00 177.39 177.28 3hkz n LYS 516 N -1.74 1.70 -2.27 3.23 5.02 -1.26 -4.92 118.16 117.91 3hkz n LYS 516 Ca 0.00 -1.04 -0.35 0.00 -2.02 0.00 0.00 58.31 54.90 3hkz n LYS 516 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3hkz n LYS 516 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3hkz s TRP 517 N -1.84 2.69 -0.28 2.13 0.51 -1.26 -4.78 118.94 116.10 3hkz s TRP 517 Ca 0.34 1.54 -0.15 0.00 -2.12 0.00 0.00 56.10 55.71 3hkz s TRP 517 Cb 0.18 -3.29 -0.03 0.00 -0.81 0.00 0.00 33.47 29.52 3hkz s TRP 517 CO 0.28 -1.56 0.38 -1.54 -0.51 0.00 0.00 176.95 174.00 3hkz s SER 518 N -1.74 6.24 0.49 2.95 1.04 -1.25 -4.79 113.70 116.65 3hkz s SER 518 Ca 0.72 0.19 -0.22 0.00 0.48 0.00 0.00 55.95 57.12 3hkz s SER 518 Cb -0.24 -2.21 -0.07 0.00 0.10 0.00 0.00 66.02 63.60 3hkz s SER 518 CO 0.27 -0.22 1.16 -0.54 0.98 0.00 0.00 173.24 174.89 3hkz s LYS 519 N 2.08 3.59 -0.12 4.02 1.02 -1.26 -1.96 119.74 127.11 3hkz s LYS 519 Ca 0.15 1.74 -0.04 0.00 0.02 0.00 0.00 55.97 57.83 3hkz s LYS 519 Cb -0.16 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 3hkz s LYS 519 CO 0.10 -0.68 0.02 0.08 -0.92 0.00 0.00 175.35 173.96 3hkz s VAL 520 N -1.61 4.49 -0.20 3.17 1.01 0.12 -0.56 120.40 126.83 3hkz s VAL 520 Ca 0.67 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 3hkz s VAL 520 Cb -0.27 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.22 3hkz s VAL 520 CO 0.33 0.55 -0.03 -0.63 0.00 0.00 0.00 175.10 175.32 3hkz s ILE 521 N -0.38 1.12 -0.33 2.22 1.09 0.13 -2.26 121.20 122.80 3hkz s ILE 521 Ca 0.08 -0.84 -0.10 0.00 -1.10 0.00 0.00 60.65 58.69 3hkz s ILE 521 Cb -0.12 -1.42 0.01 0.00 -1.06 0.00 0.00 42.46 39.86 3hkz s ILE 521 CO 0.02 -0.05 0.16 -0.22 -0.10 0.00 0.00 174.94 174.75 3hkz s LEU 522 N 1.60 4.26 -1.31 2.97 1.98 0.18 -0.73 118.68 127.62 3hkz s LEU 522 Ca -0.02 -0.69 -0.02 0.00 -2.89 0.00 0.00 54.13 50.51 3hkz s LEU 522 Cb -0.17 -1.99 0.01 0.00 0.66 0.00 0.00 46.19 44.69 3hkz s LEU 522 CO -0.07 -0.25 0.78 0.59 -1.89 0.00 0.00 176.35 175.51 3hkz n ASN 523 N 4.97 -1.77 -3.36 3.68 4.13 -0.98 -1.57 115.26 120.37 3hkz n ASN 523 Ca -0.13 -0.78 -0.23 0.00 1.68 0.00 0.00 54.58 55.12 3hkz n ASN 523 Cb 0.48 -4.22 0.06 0.00 -1.54 0.00 0.00 39.78 34.56 3hkz n ASN 523 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hkz n GLY 524 N -1.53 -0.52 2.83 7.41 0.00 -1.26 -4.55 105.19 107.57 3hkz n GLY 524 Ca -0.26 0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 3hkz n GLY 524 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hkz s ARG 525 N -6.09 0.04 -0.48 1.61 3.52 -0.61 -4.02 118.95 112.93 3hkz s ARG 525 Ca 0.49 0.54 -0.28 0.00 -0.13 0.00 0.00 55.73 56.35 3hkz s ARG 525 Cb -0.21 -0.33 0.03 0.00 -1.56 0.00 0.00 34.95 32.87 3hkz s ARG 525 CO 0.60 -0.33 1.08 -1.17 -0.81 0.00 0.00 175.30 174.67 3hkz s LEU 526 N 2.30 3.74 -0.13 -0.88 0.20 -1.26 0.49 118.68 123.14 3hkz s LEU 526 Ca 0.03 0.35 -0.21 0.00 0.69 0.00 0.00 54.13 54.99 3hkz s LEU 526 Cb -0.12 -3.44 -0.19 0.00 -0.43 0.00 0.00 46.19 42.02 3hkz s LEU 526 CO -0.06 -1.20 0.57 0.40 -0.29 0.00 0.00 176.35 175.76 3hkz h ILE 527 N 6.19 1.29 -0.07 6.68 1.08 -1.81 -3.47 117.51 127.40 3hkz h ILE 527 Ca -0.23 -1.95 0.00 0.00 -0.39 0.00 0.00 64.86 62.29 3hkz h ILE 527 Cb 1.06 2.42 0.00 0.00 -3.07 0.00 0.00 36.82 37.24 3hkz h ILE 527 CO 1.10 0.43 0.00 0.61 -0.69 0.00 0.00 178.15 179.60 3hkz n GLY 528 N 1.62 0.99 3.59 5.37 0.00 -1.25 -1.42 105.19 114.09 3hkz n GLY 528 Ca -0.07 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 3hkz n GLY 528 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hkz s TYR 529 N -1.85 1.95 0.00 1.61 1.51 -1.16 0.16 117.35 119.58 3hkz s TYR 529 Ca 0.00 -1.03 0.00 0.00 -1.01 0.00 0.00 57.07 55.03 3hkz s TYR 529 Cb 0.00 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 3hkz s TYR 529 CO 0.00 0.03 0.00 2.48 -1.11 0.00 0.00 175.55 176.95 3hkz n TYR 530 N -0.97 0.00 -0.99 2.71 0.18 -0.83 -3.24 117.16 114.01 3hkz n TYR 530 Ca -0.09 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.36 3hkz n TYR 530 Cb 0.66 0.00 0.12 0.00 -0.38 0.00 0.00 39.34 39.74 3hkz n TYR 530 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3hkz n GLN 531 N 0.00 -0.01 -3.26 -3.48 0.00 -1.26 -3.79 117.38 105.58 3hkz n GLN 531 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 57.00 56.95 3hkz n GLN 531 Cb 0.00 -2.14 0.03 0.00 0.00 0.00 0.00 30.24 28.13 3hkz n GLN 531 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3hkz n ASP 532 N -2.23 -6.86 0.14 2.61 -0.08 -1.26 -4.85 116.55 104.02 3hkz n ASP 532 Ca 0.11 -0.50 -0.13 0.00 -1.51 0.00 0.00 54.79 52.76 3hkz n ASP 532 Cb 0.51 -4.80 -0.08 0.00 2.34 0.00 0.00 41.12 39.10 3hkz n ASP 532 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3hkz h GLY 533 N -0.49 -0.41 0.34 0.27 0.00 -1.89 -3.24 103.07 97.65 3hkz h GLY 533 Ca -0.36 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3hkz h GLY 533 CO 0.38 -0.15 0.03 0.61 0.00 0.00 0.00 176.54 177.41 3hkz n GLY 534 N -0.12 -0.01 0.01 4.60 0.00 -1.26 0.12 105.19 108.52 3hkz n GLY 534 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hkz n GLY 534 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hkz n GLU 535 N -0.70 2.09 -0.32 1.61 1.02 -1.23 -4.39 120.64 118.73 3hkz n GLU 535 Ca 0.00 -0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.24 3hkz n GLU 535 Cb 0.03 -1.05 0.23 0.00 -0.02 0.00 0.00 31.44 30.64 3hkz n GLU 535 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3hkz h LEU 536 N 0.00 -0.48 -0.88 -4.62 7.12 0.94 0.19 115.31 117.58 3hkz h LEU 536 Ca -0.03 0.26 0.09 0.00 0.13 0.00 0.00 57.88 58.32 3hkz h LEU 536 Cb 0.66 0.46 -0.11 0.00 -0.53 0.00 0.00 40.66 41.13 3hkz h LEU 536 CO 0.00 -0.29 -0.49 0.00 -0.13 0.00 0.00 178.44 177.52 3hkz n ALA 537 N -3.13 -0.50 0.26 1.25 0.00 -1.13 -0.54 120.51 116.71 3hkz n ALA 537 Ca 0.19 0.77 0.12 0.00 0.00 0.00 0.00 53.44 54.52 3hkz n ALA 537 Cb 0.64 -0.16 0.69 0.00 0.00 0.00 0.00 19.45 20.62 3hkz n ALA 537 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3hkz h ASN 538 N 0.00 0.00 0.31 0.00 2.35 -1.20 0.33 115.58 117.37 3hkz h ASN 538 Ca 0.16 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3hkz h ASN 538 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3hkz h ASN 538 CO -0.83 0.13 -0.15 0.11 -1.65 0.00 0.00 177.43 175.04 3hkz h LYS 539 N 0.00 -0.40 -0.78 0.81 1.57 -0.57 0.14 116.57 117.34 3hkz h LYS 539 Ca -0.00 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.98 3hkz h LYS 539 Cb 0.35 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 32.61 3hkz h LYS 539 CO 0.02 -0.27 -0.06 0.82 -0.57 0.00 0.00 179.45 179.39 3hkz h ILE 540 N -0.49 0.27 -0.17 1.86 1.08 -0.70 0.14 117.51 119.51 3hkz h ILE 540 Ca -0.04 -0.02 -0.05 0.00 -0.39 0.00 0.00 64.86 64.35 3hkz h ILE 540 Cb 0.32 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 34.28 3hkz h ILE 540 CO 0.07 0.01 -0.11 0.03 -0.69 0.00 0.00 178.15 177.46 3hkz h ARG 541 N 0.06 0.37 0.00 2.37 3.08 -0.42 0.31 114.38 120.14 3hkz h ARG 541 Ca 0.41 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 3hkz h ARG 541 Cb 0.71 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3hkz h ARG 541 CO -0.73 0.70 -0.21 0.93 -1.07 0.00 0.00 179.97 179.60 3hkz h GLU 542 N 0.03 0.00 0.14 0.04 5.08 -0.21 0.16 114.58 119.82 3hkz h GLU 542 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3hkz h GLU 542 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3hkz h GLU 542 CO 0.03 0.21 -0.07 0.00 -1.00 0.00 0.00 179.01 178.18 3hkz h ARG 543 N 0.00 -0.18 -0.77 2.33 3.08 -0.56 -0.59 114.38 117.70 3hkz h ARG 543 Ca -0.00 0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.28 3hkz h ARG 543 Cb 0.41 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 3hkz h ARG 543 CO 0.03 0.05 0.62 -0.09 -1.07 0.00 0.00 179.97 179.51 3hkz h ARG 544 N -1.02 0.00 0.07 0.04 1.12 -0.36 0.27 114.38 114.50 3hkz h ARG 544 Ca -0.02 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.85 3hkz h ARG 544 Cb 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.27 3hkz h ARG 544 CO 0.03 0.00 -0.03 0.00 -3.11 0.00 0.00 179.97 176.86 3hkz h ARG 545 N 0.00 -0.09 -0.12 0.20 3.08 -0.98 -3.10 114.38 113.37 3hkz h ARG 545 Ca 0.36 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3hkz h ARG 545 Cb 1.59 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.66 3hkz h ARG 545 CO -0.00 0.46 0.00 1.63 -1.07 0.00 0.00 179.97 180.99 3hkz n LYS 546 N -4.84 0.39 -3.81 0.04 4.76 -0.03 -3.11 118.16 111.56 3hkz n LYS 546 Ca -0.08 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.01 3hkz n LYS 546 Cb 0.30 -1.06 0.03 0.00 -1.84 0.00 0.00 35.03 32.45 3hkz n LYS 546 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hkz n GLY 547 N 0.02 -0.99 0.00 0.72 0.00 -0.71 -4.87 105.19 99.36 3hkz n GLY 547 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3hkz n GLY 547 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hkz n GLU 548 N -4.23 1.02 -4.02 1.61 2.13 -0.51 -4.99 120.64 111.65 3hkz n GLU 548 Ca -0.12 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.43 3hkz n GLU 548 Cb 0.59 -0.65 -0.04 0.00 0.27 0.00 0.00 31.44 31.61 3hkz n GLU 548 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3hkz s ILE 549 N -1.29 4.88 0.71 6.31 -1.09 -1.17 -4.89 121.20 124.65 3hkz s ILE 549 Ca 0.00 -0.87 -0.13 0.00 -2.23 0.00 0.00 60.65 57.43 3hkz s ILE 549 Cb 0.00 -3.49 0.02 0.00 -1.58 0.00 0.00 42.46 37.42 3hkz s ILE 549 CO 0.00 -0.08 1.10 -0.55 -1.23 0.00 0.00 174.94 174.18 3hkz s SER 550 N -3.08 4.90 -0.33 3.58 0.15 -1.26 -4.13 113.70 113.52 3hkz s SER 550 Ca 0.32 1.89 0.01 0.00 0.70 0.00 0.00 55.95 58.87 3hkz s SER 550 Cb -0.11 -2.53 0.37 0.00 -1.71 0.00 0.00 66.02 62.04 3hkz s SER 550 CO 0.26 -1.77 1.74 0.47 1.20 0.00 0.00 173.24 175.14 3hkz n ASP 551 N -2.92 4.70 -0.46 5.45 10.43 -1.26 -3.01 116.55 129.47 3hkz n ASP 551 Ca 0.09 -3.11 0.00 0.00 2.57 0.00 0.00 54.79 54.35 3hkz n ASP 551 Cb 0.53 -0.83 0.00 0.00 1.84 0.00 0.00 41.12 42.65 3hkz n ASP 551 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3hkz n GLU 552 N -0.35 0.00 -3.98 -1.24 -0.58 -1.26 -4.95 120.64 108.28 3hkz n GLU 552 Ca 0.38 -0.94 -0.34 0.00 -0.42 0.00 0.00 57.16 55.85 3hkz n GLU 552 Cb 1.01 -0.49 -0.14 0.00 -0.57 0.00 0.00 31.44 31.25 3hkz n GLU 552 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3hkz s VAL 553 N 0.00 2.63 -0.08 2.62 1.01 -1.16 -4.47 120.40 120.95 3hkz s VAL 553 Ca 0.00 -1.52 0.04 0.00 0.00 0.00 0.00 61.98 60.50 3hkz s VAL 553 Cb 0.00 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3hkz s VAL 553 CO 0.00 -0.09 -0.19 0.20 0.00 0.00 0.00 175.10 175.02 3hkz s ASN 554 N 1.19 3.55 -0.12 3.32 0.01 0.10 -4.93 114.94 118.06 3hkz s ASN 554 Ca -0.06 -0.39 -0.02 0.00 -0.71 0.00 0.00 52.86 51.67 3hkz s ASN 554 Cb -0.20 -1.07 0.04 0.00 0.41 0.00 0.00 41.25 40.43 3hkz s ASN 554 CO -0.03 0.24 0.02 -0.69 -1.51 0.00 0.00 177.10 175.14 3hkz s VAL 555 N -0.14 0.36 0.38 1.60 1.01 -1.26 0.21 120.40 122.57 3hkz s VAL 555 Ca -0.03 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 61.89 3hkz s VAL 555 Cb -0.14 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3hkz s VAL 555 CO 0.04 0.03 0.21 -0.83 0.00 0.00 0.00 175.10 174.56 3hkz s GLY 556 N 1.96 2.13 -0.21 4.51 0.00 0.12 -4.68 107.32 111.15 3hkz s GLY 556 Ca 0.03 -1.95 -0.04 0.00 0.00 0.00 0.00 44.72 42.76 3hkz s GLY 556 CO -0.07 -1.80 0.14 0.30 0.00 0.00 0.00 173.10 171.67 3hkz s HIS 557 N -2.50 0.08 -0.27 1.90 3.76 -1.26 -1.36 115.29 115.65 3hkz s HIS 557 Ca 0.41 -0.31 -0.27 0.00 -0.15 0.00 0.00 55.06 54.74 3hkz s HIS 557 Cb -0.00 -0.65 0.01 0.00 1.11 0.00 0.00 32.58 33.04 3hkz s HIS 557 CO 0.24 -0.62 0.96 0.42 -0.85 0.00 0.00 174.74 174.89 3hkz s ILE 558 N 2.18 4.69 0.00 0.60 -1.09 0.79 -4.89 121.20 123.48 3hkz s ILE 558 Ca 0.05 1.72 0.00 0.00 -2.23 0.00 0.00 60.65 60.19 3hkz s ILE 558 Cb -0.16 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.45 3hkz s ILE 558 CO -0.17 -0.25 0.00 0.52 -1.23 0.00 0.00 174.94 173.82 3hkz n VAL 559 N 5.48 0.00 -0.81 2.92 0.31 -1.26 -3.03 118.33 121.94 3hkz n VAL 559 Ca 0.09 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.52 3hkz n VAL 559 Cb 0.47 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.35 3hkz n VAL 559 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3hkz n THR 560 N 0.00 -0.35 0.50 2.52 -1.04 -1.26 -4.09 114.28 110.56 3hkz n THR 560 Ca 0.00 0.45 0.11 0.00 -2.04 0.00 0.00 64.05 62.57 3hkz n THR 560 Cb 0.00 -0.72 0.27 0.00 -1.82 0.00 0.00 70.33 68.05 3hkz n THR 560 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hkz n ASP 561 N -3.39 2.90 0.00 8.00 9.92 -1.26 -4.39 116.55 128.33 3hkz n ASP 561 Ca -0.04 -1.93 0.00 0.00 -0.53 0.00 0.00 54.79 52.29 3hkz n ASP 561 Cb 0.38 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 3hkz n ASP 561 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3hkz n PHE 562 N 1.11 0.00 -3.63 1.24 3.01 -1.26 -5.09 117.46 112.84 3hkz n PHE 562 Ca 0.19 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.44 3hkz n PHE 562 Cb 0.50 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.96 3hkz n PHE 562 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3hkz s ILE 563 N -1.45 4.75 -0.00 4.37 1.01 -1.26 -5.06 121.20 123.57 3hkz s ILE 563 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.79 3hkz s ILE 563 Cb 0.00 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3hkz s ILE 563 CO 0.00 -0.31 0.76 -3.20 0.00 0.00 0.00 174.94 172.18 3hkz n ASN 564 N -1.61 0.07 -4.75 3.58 4.05 -1.26 -4.51 115.26 110.83 3hkz n ASN 564 Ca -0.05 -1.53 -0.40 0.00 0.45 0.00 0.00 54.58 53.06 3hkz n ASN 564 Cb 0.57 -0.10 -0.05 0.00 1.23 0.00 0.00 39.78 41.43 3hkz n ASN 564 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3hkz s GLU 565 N -0.06 4.77 -0.15 1.20 2.02 -1.17 -3.99 118.70 121.33 3hkz s GLU 565 Ca 0.01 1.61 0.00 0.00 0.02 0.00 0.00 54.97 56.61 3hkz s GLU 565 Cb 0.00 -3.24 -0.00 0.00 0.10 0.00 0.00 34.13 30.99 3hkz s GLU 565 CO 0.00 0.40 -0.15 0.08 0.02 0.00 0.00 175.26 175.61 3hkz s VAL 566 N -1.18 2.74 -0.26 2.63 1.01 0.28 -0.15 120.40 125.48 3hkz s VAL 566 Ca 0.42 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3hkz s VAL 566 Cb -0.28 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.00 3hkz s VAL 566 CO 0.35 0.52 -0.10 -1.00 0.00 0.00 0.00 175.10 174.87 3hkz s HIS 567 N 0.70 3.22 0.12 5.22 0.09 -0.46 -0.69 115.29 123.48 3hkz s HIS 567 Ca -0.07 -2.17 -0.18 0.00 -0.00 0.00 0.00 55.06 52.64 3hkz s HIS 567 Cb -0.16 -1.96 -0.07 0.00 -0.00 0.00 0.00 32.58 30.39 3hkz s HIS 567 CO 0.02 -0.86 0.59 0.08 -0.00 0.00 0.00 174.74 174.57 3hkz s VAL 568 N 1.15 4.74 0.00 -0.90 1.01 0.09 -0.70 120.40 125.79 3hkz s VAL 568 Ca -0.07 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.05 3hkz s VAL 568 Cb -0.19 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 3hkz s VAL 568 CO -0.05 0.41 -0.03 0.20 0.00 0.00 0.00 175.10 175.63 3hkz s ASN 569 N -1.37 0.39 0.00 3.32 0.01 0.55 -2.32 114.94 115.53 3hkz s ASN 569 Ca 0.34 -0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.33 3hkz s ASN 569 Cb -0.18 -0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.46 3hkz s ASN 569 CO 0.20 -0.02 0.00 0.00 -1.51 0.00 0.00 177.10 175.76 3hkz n ASP 571 N 0.00 0.00 -4.62 0.00 5.68 -1.26 -4.34 116.55 112.02 3hkz n ASP 571 Ca 0.00 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 53.86 3hkz n ASP 571 Cb 0.00 -0.26 -0.03 0.00 -1.14 0.00 0.00 41.12 39.69 3hkz n ASP 571 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3hkz s SER 572 N -0.62 6.19 0.00 -1.12 0.01 -1.21 -3.70 113.70 113.25 3hkz s SER 572 Ca 0.00 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.71 3hkz s SER 572 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3hkz s SER 572 CO 0.00 -1.44 0.00 0.61 0.41 0.00 0.00 173.24 172.82 3hkz n GLY 573 N 4.98 2.31 0.00 3.44 0.00 0.23 -4.85 105.19 111.30 3hkz n GLY 573 Ca 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3hkz n GLY 573 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hkz n ARG 574 N 0.25 0.00 -2.05 1.61 1.85 -1.26 -4.41 116.66 112.65 3hkz n ARG 574 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 3hkz n ARG 574 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 3hkz n ARG 574 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3hkz s VAL 575 N 0.00 3.61 0.06 8.89 1.01 -1.26 -3.22 120.40 129.48 3hkz s VAL 575 Ca 0.00 0.69 0.07 0.00 0.00 0.00 0.00 61.98 62.74 3hkz s VAL 575 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3hkz s VAL 575 CO 0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 175.10 174.67 3hkz s ARG 576 N 4.70 1.25 -0.11 2.72 1.70 -1.25 -4.77 118.95 123.19 3hkz s ARG 576 Ca 0.74 -0.97 -0.05 0.00 -0.47 0.00 0.00 55.73 54.98 3hkz s ARG 576 Cb -0.27 -1.38 -0.04 0.00 -0.57 0.00 0.00 34.95 32.69 3hkz s ARG 576 CO 0.30 0.34 0.10 0.50 -1.08 0.00 0.00 175.30 175.47 3hkz s ARG 577 N -1.35 3.31 -0.37 3.89 6.06 -0.77 -3.96 118.95 125.76 3hkz s ARG 577 Ca 0.06 -0.22 -0.17 0.00 -2.50 0.00 0.00 55.73 52.91 3hkz s ARG 577 Cb -0.09 -3.07 0.00 0.00 0.06 0.00 0.00 34.95 31.85 3hkz s ARG 577 CO 0.02 0.75 0.43 -1.25 -2.50 0.00 0.00 175.30 172.75 3hkz s PRO 578 N -1.03 3.43 0.32 5.12 0.04 -1.26 -0.59 135.00 141.02 3hkz s PRO 578 Ca 0.15 -0.46 0.09 0.00 0.04 0.00 0.00 61.00 60.82 3hkz s PRO 578 Cb -0.12 -3.86 -0.05 0.00 0.04 0.00 0.00 34.50 30.52 3hkz s PRO 578 CO 0.04 -0.66 0.05 -0.51 0.04 0.00 0.00 177.00 175.96 3hkz s LEU 579 N 2.16 3.14 0.40 -3.56 1.43 -0.74 -4.68 118.68 116.82 3hkz s LEU 579 Ca 0.14 -0.81 -0.22 0.00 -1.03 0.00 0.00 54.13 52.21 3hkz s LEU 579 Cb -0.16 -1.59 -0.11 0.00 0.03 0.00 0.00 46.19 44.36 3hkz s LEU 579 CO 0.13 -0.18 0.93 -0.63 0.23 0.00 0.00 176.35 176.83 3hkz s ILE 580 N -2.43 4.37 -0.11 -0.59 1.01 -1.25 -1.90 121.20 120.30 3hkz s ILE 580 Ca 0.35 1.53 -0.11 0.00 0.00 0.00 0.00 60.65 62.42 3hkz s ILE 580 Cb -0.03 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 3hkz s ILE 580 CO 0.21 -0.20 0.23 -0.63 0.00 0.00 0.00 174.94 174.55 3hkz s ILE 581 N -2.03 5.35 -0.36 2.92 -1.09 -0.43 -2.03 121.20 123.53 3hkz s ILE 581 Ca 0.58 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.43 3hkz s ILE 581 Cb -0.11 -3.53 0.14 0.00 -1.58 0.00 0.00 42.46 37.38 3hkz s ILE 581 CO 0.16 0.53 0.21 -0.69 -1.23 0.00 0.00 174.94 173.93 3hkz s VAL 582 N -0.51 0.32 0.02 2.92 1.01 0.87 -4.63 120.40 120.40 3hkz s VAL 582 Ca 0.16 -1.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.13 3hkz s VAL 582 Cb -0.13 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 34.95 3hkz s VAL 582 CO 0.05 -0.97 0.55 -0.94 0.00 0.00 0.00 175.10 173.79 3hkz s SER 583 N 0.98 6.96 -1.41 3.32 1.04 -1.26 -4.01 113.70 119.33 3hkz s SER 583 Ca 0.18 1.14 -0.04 0.00 0.48 0.00 0.00 55.95 57.72 3hkz s SER 583 Cb -0.23 -2.34 0.03 0.00 0.10 0.00 0.00 66.02 63.57 3hkz s SER 583 CO 0.01 0.19 0.65 0.59 0.98 0.00 0.00 173.24 175.66 3hkz n ASN 584 N 2.30 -1.60 -3.86 7.02 3.02 -1.26 -3.02 115.26 117.85 3hkz n ASN 584 Ca -0.09 -0.89 -0.32 0.00 -0.03 0.00 0.00 54.58 53.25 3hkz n ASN 584 Cb 0.51 -3.60 0.01 0.00 -0.61 0.00 0.00 39.78 36.10 3hkz n ASN 584 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hkz n GLY 585 N -1.72 -0.68 3.04 7.41 0.00 -1.18 -5.01 105.19 107.05 3hkz n GLY 585 Ca -0.22 0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 3hkz n GLY 585 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hkz s ASN 586 N -3.81 0.85 0.00 1.61 0.01 -1.17 -4.91 114.94 107.53 3hkz s ASN 586 Ca 0.31 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 3hkz s ASN 586 Cb -0.13 0.00 0.00 0.00 0.41 0.00 0.00 41.25 41.54 3hkz s ASN 586 CO 0.90 -0.12 0.00 -0.81 -1.51 0.00 0.00 177.10 175.55 3hkz n PRO 587 N 1.84 0.00 -3.15 -0.60 -0.05 -1.26 -4.04 135.00 127.74 3hkz n PRO 587 Ca -0.20 0.00 0.05 0.00 -0.05 0.00 0.00 63.50 63.30 3hkz n PRO 587 Cb 0.55 0.00 -0.01 0.00 -0.05 0.00 0.00 33.50 33.99 3hkz n PRO 587 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 3hkz s LEU 588 N 0.00 -0.77 0.00 1.53 1.43 -1.26 -4.90 118.68 114.70 3hkz s LEU 588 Ca 0.00 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 3hkz s LEU 588 Cb 0.00 1.59 0.00 0.00 0.03 0.00 0.00 46.19 47.81 3hkz s LEU 588 CO 0.00 -0.14 0.00 0.52 0.23 0.00 0.00 176.35 176.96 3hkz n VAL 589 N 5.39 0.00 -0.16 -1.59 0.31 -1.26 -4.45 118.33 116.57 3hkz n VAL 589 Ca -0.01 0.39 0.05 0.00 -0.01 0.00 0.00 64.34 64.76 3hkz n VAL 589 Cb 0.54 -1.39 0.11 0.00 -0.91 0.00 0.00 33.84 32.19 3hkz n VAL 589 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3hkz n THR 590 N -2.34 -0.19 -0.31 2.52 -1.04 -1.26 0.15 114.28 111.80 3hkz n THR 590 Ca 0.00 1.03 -0.07 0.00 -2.04 0.00 0.00 64.05 62.97 3hkz n THR 590 Cb 0.00 -1.47 -0.06 0.00 -1.82 0.00 0.00 70.33 66.97 3hkz n THR 590 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3hkz n ILE 591 N -4.61 -0.49 -0.28 12.58 -0.00 -1.26 -0.82 119.36 124.48 3hkz n ILE 591 Ca 0.09 1.78 0.08 0.00 -0.00 0.00 0.00 62.75 64.70 3hkz n ILE 591 Cb 0.30 -2.21 0.20 0.00 -0.00 0.00 0.00 39.64 37.93 3hkz n ILE 591 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 3hkz h GLU 592 N 0.00 0.09 0.00 0.38 4.39 0.11 -1.66 114.58 117.89 3hkz h GLU 592 Ca 0.13 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3hkz h GLU 592 Cb 0.32 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3hkz h GLU 592 CO -0.70 0.06 0.00 -0.44 -1.16 0.00 0.00 179.01 176.77 3hkz h ASP 593 N 0.10 0.00 0.09 1.42 3.32 -1.01 -2.87 116.42 117.46 3hkz h ASP 593 Ca 0.46 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.37 3hkz h ASP 593 Cb 0.86 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.42 3hkz h ASP 593 CO -0.72 0.00 -0.60 0.40 -1.72 0.00 0.00 179.24 176.60 3hkz h ILE 594 N 0.00 1.55 0.00 0.35 1.08 -1.21 -3.37 117.51 115.92 3hkz h ILE 594 Ca 0.00 -2.39 -0.10 0.00 -0.39 0.00 0.00 64.86 61.98 3hkz h ILE 594 Cb 0.25 3.11 -0.01 0.00 -3.07 0.00 0.00 36.82 37.09 3hkz h ILE 594 CO 0.00 0.67 -0.48 -0.33 -0.69 0.00 0.00 178.15 177.32 3hkz h GLU 595 N -0.45 0.00 -0.75 2.37 5.08 -1.58 -3.14 114.58 116.11 3hkz h GLU 595 Ca -0.10 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.43 3hkz h GLU 595 Cb 1.43 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.57 3hkz h GLU 595 CO 0.11 0.48 0.17 0.87 -1.00 0.00 0.00 179.01 179.64 3hkz h LYS 596 N 0.00 0.24 -1.32 2.33 1.57 -1.71 -2.67 116.57 115.01 3hkz h LYS 596 Ca -0.00 -0.01 -0.54 0.00 -1.87 0.00 0.00 60.65 58.22 3hkz h LYS 596 Cb 0.85 -0.05 -0.42 0.00 0.08 0.00 0.00 32.23 32.69 3hkz h LYS 596 CO 0.06 0.16 -0.82 1.28 -0.57 0.00 0.00 179.45 179.57 3hkz n LEU 597 N -5.18 4.21 -0.32 2.94 4.77 -1.24 -5.06 117.00 117.12 3hkz n LEU 597 Ca 0.15 -4.90 0.00 0.00 -0.03 0.00 0.00 56.01 51.23 3hkz n LEU 597 Cb 0.48 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3hkz n LEU 597 CO 0.11 2.10 -0.05 -0.62 -1.33 0.00 0.00 177.39 177.60 3hkz n GLU 598 N -0.45 -0.59 -4.46 3.23 1.02 -1.01 -5.08 120.64 113.29 3hkz n GLU 598 Ca 0.35 0.53 -0.26 0.00 -0.02 0.00 0.00 57.16 57.76 3hkz n GLU 598 Cb 0.72 -0.47 -0.13 0.00 -0.02 0.00 0.00 31.44 31.55 3hkz n GLU 598 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hkz s SER 599 N -0.86 2.79 0.10 1.62 1.04 -1.19 -4.58 113.70 112.62 3hkz s SER 599 Ca 0.00 -0.65 0.09 0.00 0.48 0.00 0.00 55.95 55.87 3hkz s SER 599 Cb 0.00 -0.19 -0.19 0.00 0.10 0.00 0.00 66.02 65.74 3hkz s SER 599 CO 0.00 0.14 1.17 1.23 0.98 0.00 0.00 173.24 176.76 3hkz h GLY 600 N 4.29 0.00 1.63 7.32 0.00 -1.98 -3.25 103.07 111.07 3hkz h GLY 600 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3hkz h GLY 600 CO 0.41 0.00 0.07 0.00 0.00 0.00 0.00 176.54 177.02 3hkz n ALA 601 N -2.38 0.87 -0.95 3.60 0.00 -1.26 -4.93 120.51 115.46 3hkz n ALA 601 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3hkz n ALA 601 Cb 0.94 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3hkz n ALA 601 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hkz n ILE 602 N -1.39 0.00 -1.10 0.00 5.41 -1.23 -4.25 119.36 116.81 3hkz n ILE 602 Ca 0.00 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.41 3hkz n ILE 602 Cb 0.07 0.00 0.12 0.00 -0.71 0.00 0.00 39.64 39.13 3hkz n ILE 602 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3hkz n THR 603 N -1.51 1.92 0.00 1.39 -2.24 -1.26 -4.75 114.28 107.83 3hkz n THR 603 Ca 0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3hkz n THR 603 Cb 0.00 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 3hkz n THR 603 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3hkz n PHE 604 N -3.26 0.00 -0.24 4.78 7.35 -1.26 0.11 117.46 124.95 3hkz n PHE 604 Ca 0.13 0.00 0.25 0.00 -0.76 0.00 0.00 57.45 57.07 3hkz n PHE 604 Cb 0.50 -0.49 0.39 0.00 0.35 0.00 0.00 39.48 40.24 3hkz n PHE 604 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3hkz n ASP 605 N -3.89 0.00 -0.00 -2.13 8.00 -1.26 0.93 116.55 118.19 3hkz n ASP 605 Ca 0.00 0.62 0.08 0.00 0.71 0.00 0.00 54.79 56.20 3hkz n ASP 605 Cb 0.00 -0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 40.77 3hkz n ASP 605 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hkz n ASP 606 N -2.92 0.82 0.01 -2.24 10.43 0.31 -3.99 116.55 118.97 3hkz n ASP 606 Ca 0.21 -0.79 -0.02 0.00 2.57 0.00 0.00 54.79 56.76 3hkz n ASP 606 Cb 1.26 1.09 0.23 0.00 1.84 0.00 0.00 41.12 45.54 3hkz n ASP 606 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3hkz h LEU 607 N 0.00 0.49 0.01 0.64 3.38 0.45 -3.28 115.31 117.00 3hkz h LEU 607 Ca 0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hkz h LEU 607 Cb 0.44 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hkz h LEU 607 CO 0.00 0.68 -0.00 0.58 0.09 0.00 0.00 178.44 179.79 3hkz h VAL 608 N 0.45 1.56 -1.01 1.22 2.07 -1.68 -2.78 116.25 116.09 3hkz h VAL 608 Ca 0.08 -2.01 0.26 0.00 0.82 0.00 0.00 66.70 65.85 3hkz h VAL 608 Cb 0.56 2.87 -0.08 0.00 -1.52 0.00 0.00 31.29 33.12 3hkz h VAL 608 CO 0.04 0.50 0.67 -0.09 0.02 0.00 0.00 177.57 178.70 3hkz h ARG 609 N -0.92 0.33 0.00 1.57 2.43 -1.72 0.19 114.38 116.26 3hkz h ARG 609 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hkz h ARG 609 Cb 0.83 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3hkz h ARG 609 CO 0.00 0.22 0.00 0.37 -1.51 0.00 0.00 179.97 179.05 3hkz h GLN 610 N 0.34 0.00 0.00 0.20 4.15 -1.61 -3.34 115.11 114.85 3hkz h GLN 610 Ca 0.54 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.96 3hkz h GLN 610 Cb 1.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.19 3hkz h GLN 610 CO -0.21 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.10 3hkz n GLY 611 N 0.08 0.47 0.08 2.39 0.00 0.65 -4.78 105.19 104.08 3hkz n GLY 611 Ca 0.02 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 3hkz n GLY 611 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hkz h LYS 612 N 0.38 0.01 -6.69 1.61 1.57 -1.68 -3.46 116.57 108.32 3hkz h LYS 612 Ca 0.00 -0.02 -0.67 0.00 -1.87 0.00 0.00 60.65 58.10 3hkz h LYS 612 Cb 0.00 0.01 -0.18 0.00 0.08 0.00 0.00 32.23 32.13 3hkz h LYS 612 CO 0.00 0.64 -0.80 0.42 -0.57 0.00 0.00 179.45 179.13 3hkz s ILE 613 N -2.62 2.72 -0.00 1.86 -1.09 -1.18 -1.31 121.20 119.58 3hkz s ILE 613 Ca -0.04 -1.66 0.01 0.00 -2.23 0.00 0.00 60.65 56.73 3hkz s ILE 613 Cb 0.08 -2.27 -0.00 0.00 -1.58 0.00 0.00 42.46 38.69 3hkz s ILE 613 CO 0.82 0.03 -0.03 -0.70 -1.23 0.00 0.00 174.94 173.83 3hkz s GLU 614 N -2.33 0.22 -0.50 2.79 2.12 -0.80 -4.57 118.70 115.63 3hkz s GLU 614 Ca 0.19 -0.13 -0.19 0.00 0.36 0.00 0.00 54.97 55.20 3hkz s GLU 614 Cb -0.10 -0.19 0.05 0.00 0.26 0.00 0.00 34.13 34.15 3hkz s GLU 614 CO 0.10 0.05 0.63 0.71 -0.54 0.00 0.00 175.26 176.22 3hkz s TYR 615 N -0.14 3.04 -0.19 5.30 1.51 -1.26 -1.79 117.35 123.82 3hkz s TYR 615 Ca 0.00 -0.45 -0.19 0.00 -1.01 0.00 0.00 57.07 55.42 3hkz s TYR 615 Cb -0.01 -3.51 -0.03 0.00 -0.11 0.00 0.00 41.96 38.30 3hkz s TYR 615 CO -0.00 -1.01 0.56 -0.51 -1.11 0.00 0.00 175.55 173.47 3hkz s LEU 616 N 2.69 4.15 0.03 -1.29 1.43 0.24 -4.92 118.68 121.00 3hkz s LEU 616 Ca 0.16 0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 53.75 3hkz s LEU 616 Cb -0.18 -2.78 -0.14 0.00 0.03 0.00 0.00 46.19 43.12 3hkz s LEU 616 CO 0.13 -0.20 1.20 -0.78 0.23 0.00 0.00 176.35 176.93 3hkz h ASP 617 N 7.43 -0.78 0.00 2.29 -0.00 -1.90 -2.04 116.42 121.43 3hkz h ASP 617 Ca -0.33 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.72 3hkz h ASP 617 Cb 1.15 0.20 0.00 0.00 -0.00 0.00 0.00 39.33 40.68 3hkz h ASP 617 CO 0.75 -0.49 0.00 0.00 -0.00 0.00 0.00 179.24 179.51 3hkz n ALA 618 N -2.58 0.00 -0.16 -0.78 0.00 -1.26 -4.42 120.51 111.31 3hkz n ALA 618 Ca -0.12 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.47 3hkz n ALA 618 Cb 0.37 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.30 3hkz n ALA 618 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hkz h GLU 619 N 0.00 0.43 0.02 0.00 4.57 -1.87 0.59 114.58 118.31 3hkz h GLU 619 Ca 0.00 -0.03 -0.33 0.00 -1.18 0.00 0.00 59.36 57.83 3hkz h GLU 619 Cb 0.00 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.44 3hkz h GLU 619 CO 0.00 0.29 -1.98 -1.91 -1.18 0.00 0.00 179.01 174.22 3hkz n GLU 620 N -4.48 0.66 0.26 1.92 2.13 -1.26 -3.59 120.64 116.28 3hkz n GLU 620 Ca 0.14 0.20 0.18 0.00 0.66 0.00 0.00 57.16 58.34 3hkz n GLU 620 Cb 0.50 -1.69 0.91 0.00 0.27 0.00 0.00 31.44 31.43 3hkz n GLU 620 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3hkz h GLU 621 N 0.01 0.00 -0.62 5.31 4.81 -1.67 -0.42 114.58 122.00 3hkz h GLU 621 Ca -0.40 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 58.96 3hkz h GLU 621 Cb 2.08 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 31.36 3hkz h GLU 621 CO 0.06 0.00 0.04 1.49 -0.73 0.00 0.00 179.01 179.87 3hkz h GLU 622 N 0.00 0.15 0.00 1.92 4.57 0.10 -2.81 114.58 118.51 3hkz h GLU 622 Ca 0.05 -0.01 -0.24 0.00 -1.18 0.00 0.00 59.36 57.99 3hkz h GLU 622 Cb 0.42 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 3hkz h GLU 622 CO -0.00 0.10 -1.34 -0.91 -1.18 0.00 0.00 179.01 175.68 3hkz h ASN 623 N 0.15 0.00 -3.93 1.04 2.35 -1.27 -3.47 115.58 110.46 3hkz h ASN 623 Ca 0.33 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.61 3hkz h ASN 623 Cb 0.53 0.00 0.16 0.00 0.05 0.00 0.00 38.32 39.05 3hkz h ASN 623 CO -0.50 0.92 0.21 0.00 -1.65 0.00 0.00 177.43 176.41 3hkz s ALA 624 N -2.70 1.11 0.09 -0.83 0.00 -1.06 -5.00 121.76 113.38 3hkz s ALA 624 Ca -0.02 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.71 3hkz s ALA 624 Cb 0.09 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 3hkz s ALA 624 CO 0.82 -2.71 -0.09 0.71 0.00 0.00 0.00 175.76 174.49 3hkz s TYR 625 N -2.95 0.95 0.01 0.00 1.51 -1.26 -4.97 117.35 110.64 3hkz s TYR 625 Ca 0.65 -0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 56.00 3hkz s TYR 625 Cb -0.18 -0.53 -0.01 0.00 -0.11 0.00 0.00 41.96 41.12 3hkz s TYR 625 CO 0.57 -0.05 -0.01 0.14 -1.11 0.00 0.00 175.55 175.09 3hkz s VAL 626 N -2.60 0.09 -0.26 0.71 -7.23 -1.26 -2.09 120.40 107.77 3hkz s VAL 626 Ca 0.05 -0.76 -0.03 0.00 -1.81 0.00 0.00 61.98 59.43 3hkz s VAL 626 Cb -0.02 -0.24 0.02 0.00 0.56 0.00 0.00 36.38 36.70 3hkz s VAL 626 CO -0.01 -0.42 -0.02 0.00 -0.31 0.00 0.00 175.10 174.34 3hkz s ALA 627 N -1.24 2.81 0.04 1.32 0.00 -1.22 -5.01 121.76 118.45 3hkz s ALA 627 Ca -0.14 -1.46 -0.07 0.00 0.00 0.00 0.00 51.96 50.29 3hkz s ALA 627 Cb -0.08 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 3hkz s ALA 627 CO -0.01 -0.85 0.71 1.47 0.00 0.00 0.00 175.76 177.08 3hkz n LEU 628 N 4.73 -0.24 -4.57 0.00 -0.00 -1.26 -3.85 117.00 111.80 3hkz n LEU 628 Ca -0.16 0.76 -0.24 0.00 -0.00 0.00 0.00 56.01 56.37 3hkz n LEU 628 Cb 0.47 -0.23 -0.09 0.00 -0.00 0.00 0.00 43.42 43.57 3hkz n LEU 628 CO 0.28 -0.51 -0.38 -1.61 -0.00 0.00 0.00 177.39 175.18 3hkz s GLU 629 N -3.89 1.94 0.60 1.47 0.41 -1.26 -4.65 118.70 113.32 3hkz s GLU 629 Ca -0.03 -1.73 0.36 0.00 -0.41 0.00 0.00 54.97 53.17 3hkz s GLU 629 Cb 0.02 -1.88 1.93 0.00 -1.78 0.00 0.00 34.13 32.42 3hkz s GLU 629 CO 0.14 0.24 2.22 -1.00 -0.49 0.00 0.00 175.26 176.38 3hkz h PRO 630 N 2.01 0.00 -0.43 0.39 0.13 -1.90 -3.25 132.00 128.95 3hkz h PRO 630 Ca -0.42 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 3hkz h PRO 630 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3hkz h PRO 630 CO 0.64 0.03 -0.15 -0.97 -0.23 0.00 0.00 178.00 177.32 3hkz h ASN 631 N 0.00 0.88 -0.96 1.44 -0.73 -1.95 -1.82 115.58 112.44 3hkz h ASN 631 Ca -0.00 -0.38 -0.53 0.00 1.87 0.00 0.00 56.30 57.26 3hkz h ASN 631 Cb 0.16 -0.24 -0.29 0.00 0.27 0.00 0.00 38.32 38.21 3hkz h ASN 631 CO 0.00 1.06 0.68 -0.90 -0.37 0.00 0.00 177.43 177.91 3hkz n ASP 632 N -4.24 4.57 0.00 1.15 5.75 -1.23 -4.42 116.55 118.14 3hkz n ASP 632 Ca -0.01 -3.58 0.12 0.00 -0.01 0.00 0.00 54.79 51.31 3hkz n ASP 632 Cb 0.41 -0.86 0.55 0.00 -1.03 0.00 0.00 41.12 40.19 3hkz n ASP 632 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3hkz n LEU 633 N -1.02 0.00 -0.23 -2.12 7.94 -0.68 -4.60 117.00 116.28 3hkz n LEU 633 Ca 0.58 0.49 0.16 0.00 -1.11 0.00 0.00 56.01 56.13 3hkz n LEU 633 Cb 1.42 -0.49 0.31 0.00 0.53 0.00 0.00 43.42 45.18 3hkz n LEU 633 CO 0.62 -0.06 0.64 0.41 -1.11 0.00 0.00 177.39 177.90 3hkz n THR 634 N -1.49 -0.29 0.00 1.96 -1.04 -1.26 -4.65 114.28 107.51 3hkz n THR 634 Ca 0.06 1.46 0.00 0.00 -2.04 0.00 0.00 64.05 63.54 3hkz n THR 634 Cb 0.30 -2.25 0.00 0.00 -1.82 0.00 0.00 70.33 66.55 3hkz n THR 634 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3hkz n PRO 635 N -4.75 3.00 -2.77 -2.82 -0.02 -1.26 -4.62 135.00 121.77 3hkz n PRO 635 Ca 0.21 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.26 3hkz n PRO 635 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.20 3hkz n PRO 635 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hkz n ASP 636 N 0.00 5.57 -4.76 2.55 5.75 -1.26 -3.10 116.55 121.30 3hkz n ASP 636 Ca 0.00 -3.17 -0.37 0.00 -0.01 0.00 0.00 54.79 51.24 3hkz n ASP 636 Cb 0.00 -1.42 -0.07 0.00 -1.03 0.00 0.00 41.12 38.60 3hkz n ASP 636 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3hkz s HIS 637 N -0.57 3.53 0.24 2.11 3.76 -1.26 -4.97 115.29 118.13 3hkz s HIS 637 Ca 0.37 0.72 0.01 0.00 -0.15 0.00 0.00 55.06 56.00 3hkz s HIS 637 Cb 0.04 -2.34 0.27 0.00 1.11 0.00 0.00 32.58 31.66 3hkz s HIS 637 CO 0.02 0.34 1.60 1.15 -0.85 0.00 0.00 174.74 177.01 3hkz h THR 638 N 4.45 1.31 -3.96 1.30 2.02 -1.69 -3.41 112.91 112.94 3hkz h THR 638 Ca -0.44 -1.63 -0.24 0.00 0.77 0.00 0.00 66.41 64.87 3hkz h THR 638 Cb 1.18 1.66 -0.20 0.00 -1.74 0.00 0.00 68.15 69.06 3hkz h THR 638 CO 0.72 0.50 -0.72 -1.00 0.37 0.00 0.00 175.52 175.39 3hkz s HIS 639 N -4.13 0.64 0.00 3.16 3.76 -0.89 -0.09 115.29 117.73 3hkz s HIS 639 Ca -0.06 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 3hkz s HIS 639 Cb 0.12 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.42 3hkz s HIS 639 CO 0.81 -0.13 0.00 -0.11 -0.85 0.00 0.00 174.74 174.46 3hkz n LEU 640 N 1.10 0.00 -3.82 0.89 0.00 -0.86 -3.41 117.00 110.91 3hkz n LEU 640 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 56.01 55.59 3hkz n LEU 640 Cb 0.56 0.00 -0.17 0.00 0.00 0.00 0.00 43.42 43.81 3hkz n LEU 640 CO 0.23 -0.10 -0.39 -1.61 0.00 0.00 0.00 177.39 175.52 3hkz s GLU 641 N 1.57 0.67 0.04 1.96 0.41 -1.25 -3.86 118.70 118.25 3hkz s GLU 641 Ca 0.00 0.02 -0.27 0.00 -0.41 0.00 0.00 54.97 54.31 3hkz s GLU 641 Cb 0.00 -0.89 -0.17 0.00 -1.78 0.00 0.00 34.13 31.29 3hkz s GLU 641 CO 0.00 -0.21 1.46 0.82 -0.49 0.00 0.00 175.26 176.84 3hkz h ILE 642 N 6.25 0.67 -1.92 -1.63 1.08 -1.92 -3.45 117.51 116.59 3hkz h ILE 642 Ca -0.28 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 63.85 3hkz h ILE 642 Cb 1.13 0.83 -0.25 0.00 -3.07 0.00 0.00 36.82 35.46 3hkz h ILE 642 CO 0.36 0.06 -0.32 0.86 -0.69 0.00 0.00 178.15 178.41 3hkz s TRP 643 N -5.39 -1.10 0.19 1.37 -0.00 -1.26 -4.63 118.94 108.12 3hkz s TRP 643 Ca -0.15 1.57 -0.09 0.00 -0.00 0.00 0.00 56.10 57.43 3hkz s TRP 643 Cb 0.03 0.40 0.10 0.00 -0.00 0.00 0.00 33.47 34.00 3hkz s TRP 643 CO 0.60 -0.67 1.70 0.77 -0.00 0.00 0.00 176.95 179.35 3hkz h SER 644 N 8.10 1.07 0.00 5.86 0.02 -1.87 -2.25 113.55 124.49 3hkz h SER 644 Ca -0.19 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3hkz h SER 644 Cb 1.13 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3hkz h SER 644 CO 0.18 1.05 0.00 -2.65 -1.14 0.00 0.00 176.83 174.27 3hkz n PRO 645 N -4.23 0.00 -1.11 3.45 -0.02 -1.26 -2.08 135.00 129.76 3hkz n PRO 645 Ca 0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.40 3hkz n PRO 645 Cb 0.28 -1.22 0.26 0.00 -0.02 0.00 0.00 33.50 32.80 3hkz n PRO 645 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hkz n ALA 646 N -0.68 4.98 0.11 3.55 0.00 -0.85 -3.64 120.51 123.99 3hkz n ALA 646 Ca 0.00 -2.53 0.11 0.00 0.00 0.00 0.00 53.44 51.02 3hkz n ALA 646 Cb 0.00 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.13 3hkz n ALA 646 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hkz h ILE 647 N 2.08 0.01 -3.91 0.00 2.04 -1.66 -3.32 117.51 112.76 3hkz h ILE 647 Ca 0.41 -1.03 -0.48 0.00 1.00 0.00 0.00 64.86 64.76 3hkz h ILE 647 Cb 2.55 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 40.18 3hkz h ILE 647 CO 0.88 0.01 0.39 -0.76 0.00 0.00 0.00 178.15 178.67 3hkz s LEU 648 N -5.43 4.28 1.09 1.44 1.43 -1.24 -3.48 118.68 116.77 3hkz s LEU 648 Ca -0.00 1.99 -0.17 0.00 -1.03 0.00 0.00 54.13 54.92 3hkz s LEU 648 Cb 0.09 -4.03 0.24 0.00 0.03 0.00 0.00 46.19 42.52 3hkz s LEU 648 CO 0.78 -0.26 1.15 -0.83 0.23 0.00 0.00 176.35 177.42 3hkz s GLY 649 N -1.48 1.61 0.20 -3.19 0.00 -1.25 -1.56 107.32 101.65 3hkz s GLY 649 Ca 0.53 -0.85 -0.05 0.00 0.00 0.00 0.00 44.72 44.34 3hkz s GLY 649 CO 0.28 -0.07 1.61 0.16 0.00 0.00 0.00 173.10 175.08 3hkz h ILE 650 N -2.17 1.27 0.21 0.90 -2.65 -1.92 -3.08 117.51 110.07 3hkz h ILE 650 Ca -0.47 -1.36 -0.01 0.00 1.03 0.00 0.00 64.86 64.05 3hkz h ILE 650 Cb 1.29 1.22 0.00 0.00 -2.05 0.00 0.00 36.82 37.28 3hkz h ILE 650 CO 0.42 0.46 -0.10 0.74 0.03 0.00 0.00 178.15 179.70 3hkz h THR 651 N 0.70 0.87 -0.06 0.16 2.02 -1.95 -2.95 112.91 111.70 3hkz h THR 651 Ca 0.09 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.83 3hkz h THR 651 Cb 0.76 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3hkz h THR 651 CO 0.06 0.10 0.42 0.00 0.37 0.00 0.00 175.52 176.47 3hkz h ALA 652 N 0.21 1.50 0.01 6.16 0.00 -1.91 -1.71 119.26 123.52 3hkz h ALA 652 Ca -0.03 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 3hkz h ALA 652 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hkz h ALA 652 CO 0.05 -0.45 -0.94 0.77 0.00 0.00 0.00 179.25 178.68 3hkz h SER 653 N 0.00 0.48 -1.35 0.00 0.02 -1.43 -3.15 113.55 108.13 3hkz h SER 653 Ca 0.03 -0.39 0.40 0.00 -0.84 0.00 0.00 61.79 60.98 3hkz h SER 653 Cb 0.86 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 63.17 3hkz h SER 653 CO -0.00 1.20 0.93 0.40 -1.14 0.00 0.00 176.83 178.22 3hkz h ILE 654 N 0.20 0.28 -2.92 3.27 5.03 -1.41 -3.42 117.51 118.54 3hkz h ILE 654 Ca -0.08 -0.03 -0.57 0.00 -0.12 0.00 0.00 64.86 64.06 3hkz h ILE 654 Cb 1.58 0.18 -0.04 0.00 -3.03 0.00 0.00 36.82 35.51 3hkz h ILE 654 CO 0.16 0.02 0.90 -0.63 -0.68 0.00 0.00 178.15 177.92 3hkz s ILE 655 N -5.12 4.30 -0.03 -0.67 1.01 -1.19 -4.54 121.20 114.96 3hkz s ILE 655 Ca -0.06 1.57 -0.30 0.00 0.00 0.00 0.00 60.65 61.86 3hkz s ILE 655 Cb 0.26 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 3hkz s ILE 655 CO 0.83 -0.14 1.02 -2.16 0.00 0.00 0.00 174.94 174.49 3hkz s PRO 656 N 3.48 4.49 -1.23 2.79 0.04 -1.26 -4.01 135.00 139.30 3hkz s PRO 656 Ca 0.54 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.04 3hkz s PRO 656 Cb -0.21 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.84 3hkz s PRO 656 CO 0.14 -0.18 0.00 0.66 0.04 0.00 0.00 177.00 177.66 3hkz n TYR 657 N 4.34 -0.22 -0.16 0.56 4.02 -1.26 -4.89 117.16 119.55 3hkz n TYR 657 Ca 0.07 0.00 0.21 0.00 -0.01 0.00 0.00 57.90 58.18 3hkz n TYR 657 Cb 0.50 -2.47 0.60 0.00 -0.02 0.00 0.00 39.34 37.95 3hkz n TYR 657 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3hkz h PRO 658 N 0.00 0.21 -3.11 -0.72 0.13 -1.94 -1.09 132.00 125.47 3hkz h PRO 658 Ca -0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hkz h PRO 658 Cb 0.96 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3hkz h PRO 658 CO 0.37 0.14 0.49 -0.85 -0.23 0.00 0.00 178.00 177.91 3hkz n GLU 659 N -4.41 0.00 0.00 0.86 -0.00 -1.26 0.56 120.64 116.39 3hkz n GLU 659 Ca 0.16 -0.05 0.00 0.00 -0.00 0.00 0.00 57.16 57.27 3hkz n GLU 659 Cb 0.72 -1.43 0.00 0.00 -0.00 0.00 0.00 31.44 30.73 3hkz n GLU 659 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3hkz n HIS 660 N 3.02 0.00 -4.56 -1.84 8.25 -0.41 -5.12 115.22 114.56 3hkz n HIS 660 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 3hkz n HIS 660 Cb 0.00 0.01 -0.14 0.00 1.12 0.00 0.00 29.99 30.99 3hkz n HIS 660 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3hkz s ASN 661 N 0.00 2.79 -0.14 0.41 0.02 0.19 -2.20 114.94 116.02 3hkz s ASN 661 Ca 0.00 -0.62 -0.35 0.00 -1.02 0.00 0.00 52.86 50.87 3hkz s ASN 661 Cb 0.00 -0.21 -0.12 0.00 0.02 0.00 0.00 41.25 40.94 3hkz s ASN 661 CO 0.00 0.16 1.91 1.67 0.02 0.00 0.00 177.10 180.86 3hkz n GLN 662 N 1.47 1.99 0.00 -0.60 7.27 -0.74 -4.89 117.38 121.87 3hkz n GLN 662 Ca -0.18 0.71 0.00 0.00 0.07 0.00 0.00 57.00 57.60 3hkz n GLN 662 Cb 0.53 -2.61 0.00 0.00 2.41 0.00 0.00 30.24 30.57 3hkz n GLN 662 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3hkz n SER 663 N 7.05 0.00 0.28 1.69 2.88 -1.26 -1.12 113.62 123.14 3hkz n SER 663 Ca 0.25 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.91 3hkz n SER 663 Cb 0.28 0.00 0.81 0.00 -0.75 0.00 0.00 64.21 64.55 3hkz n SER 663 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3hkz h PRO 664 N 0.00 0.00 0.00 -1.46 0.11 -1.98 0.17 132.00 128.84 3hkz h PRO 664 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3hkz h PRO 664 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3hkz h PRO 664 CO 0.00 0.01 -0.16 0.00 -0.21 0.00 0.00 178.00 177.64 3hkz h ARG 665 N 0.00 0.00 0.20 1.05 2.47 -1.44 0.22 114.38 116.88 3hkz h ARG 665 Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3hkz h ARG 665 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 3hkz h ARG 665 CO 0.00 0.16 -0.10 -0.91 0.56 0.00 0.00 179.97 179.69 3hkz h ASN 666 N 0.00 -0.23 -0.85 7.04 2.35 -0.74 -2.28 115.58 120.87 3hkz h ASN 666 Ca -0.00 -0.30 0.10 0.00 -0.55 0.00 0.00 56.30 55.55 3hkz h ASN 666 Cb 0.30 0.06 -0.12 0.00 0.05 0.00 0.00 38.32 38.61 3hkz h ASN 666 CO 0.02 0.25 -0.50 0.74 -1.65 0.00 0.00 177.43 176.30 3hkz h THR 667 N -0.80 0.02 -0.22 2.81 2.02 -1.27 -0.28 112.91 115.18 3hkz h THR 667 Ca -0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.21 3hkz h THR 667 Cb 0.51 0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.87 3hkz h THR 667 CO 0.05 0.00 -0.33 1.88 0.37 0.00 0.00 175.52 177.49 3hkz h TYR 668 N -0.09 -0.90 -0.75 3.16 -1.99 -0.65 -2.20 116.97 113.55 3hkz h TYR 668 Ca 0.21 0.05 0.12 0.00 2.00 0.00 0.00 58.73 61.10 3hkz h TYR 668 Cb 0.51 0.43 -0.08 0.00 2.00 0.00 0.00 36.73 39.59 3hkz h TYR 668 CO -0.89 -0.39 0.35 0.37 -0.00 0.00 0.00 178.16 177.59 3hkz h GLN 669 N -0.35 0.53 0.00 4.88 5.75 -0.77 0.70 115.11 125.85 3hkz h GLN 669 Ca 0.12 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3hkz h GLN 669 Cb 0.54 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.97 3hkz h GLN 669 CO -0.42 0.35 0.00 0.43 -2.65 0.00 0.00 178.83 176.54 3hkz n SER 670 N -4.92 0.00 -0.07 -0.69 7.64 -0.18 -0.39 113.62 115.01 3hkz n SER 670 Ca 0.13 -0.43 -0.16 0.00 1.01 0.00 0.00 58.87 59.42 3hkz n SER 670 Cb 0.35 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.50 3hkz n SER 670 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hkz n ALA 671 N -0.68 2.02 0.16 -0.43 0.00 0.23 -4.71 120.51 117.10 3hkz n ALA 671 Ca 0.02 -0.60 0.01 0.00 0.00 0.00 0.00 53.44 52.87 3hkz n ALA 671 Cb 0.01 0.30 0.28 0.00 0.00 0.00 0.00 19.45 20.04 3hkz n ALA 671 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3hkz h MET 672 N -0.54 0.03 -0.39 0.00 2.07 -0.23 -2.75 114.93 113.11 3hkz h MET 672 Ca -0.38 -0.01 0.04 0.00 -2.07 0.00 0.00 59.70 57.28 3hkz h MET 672 Cb 1.32 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 31.01 3hkz h MET 672 CO -0.23 0.48 0.17 0.00 1.07 0.00 0.00 176.91 178.41 3hkz h ALA 673 N 1.51 0.48 0.00 6.32 0.00 -1.00 0.74 119.26 127.32 3hkz h ALA 673 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hkz h ALA 673 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hkz h ALA 673 CO 0.06 -0.21 0.00 1.63 0.00 0.00 0.00 179.25 180.73 3hkz n LYS 674 N -4.97 0.22 0.00 0.00 5.02 -1.07 -1.63 118.16 115.74 3hkz n LYS 674 Ca 0.02 0.14 0.03 0.00 -2.02 0.00 0.00 58.31 56.48 3hkz n LYS 674 Cb 0.12 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.65 3hkz n LYS 674 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hkz n GLN 675 N -1.24 1.01 -1.25 1.97 6.02 0.10 -4.80 117.38 119.20 3hkz n GLN 675 Ca 0.07 -0.73 -0.30 0.00 -0.01 0.00 0.00 57.00 56.03 3hkz n GLN 675 Cb 0.09 -1.06 0.11 0.00 1.02 0.00 0.00 30.24 30.40 3hkz n GLN 675 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hkz s ALA 676 N -0.79 1.93 -0.12 -1.58 0.00 0.22 -2.69 121.76 118.74 3hkz s ALA 676 Ca 0.07 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.16 3hkz s ALA 676 Cb 0.06 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3hkz s ALA 676 CO 0.12 -2.03 -0.22 -0.51 0.00 0.00 0.00 175.76 173.12 3hkz s LEU 677 N -6.05 2.15 0.00 0.00 1.43 -0.01 -4.38 118.68 111.83 3hkz s LEU 677 Ca 0.62 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3hkz s LEU 677 Cb -0.17 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.61 3hkz s LEU 677 CO 0.56 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.88 3hkz n GLY 678 N 3.73 4.05 3.82 -3.19 0.00 -1.26 -4.17 105.19 108.16 3hkz n GLY 678 Ca -0.19 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 3hkz n GLY 678 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hkz s LEU 679 N 0.00 4.07 -0.03 0.99 2.96 -1.22 -0.96 118.68 124.48 3hkz s LEU 679 Ca 0.00 0.26 0.05 0.00 -0.22 0.00 0.00 54.13 54.22 3hkz s LEU 679 Cb 0.00 -2.24 -0.07 0.00 0.50 0.00 0.00 46.19 44.38 3hkz s LEU 679 CO 0.00 0.32 0.06 0.00 -1.32 0.00 0.00 176.35 175.41 3hkz n TYR 680 N 1.44 0.00 -3.64 5.38 0.18 -1.26 -3.32 117.16 115.94 3hkz n TYR 680 Ca -0.15 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.61 3hkz n TYR 680 Cb 0.53 -0.19 -0.07 0.00 -0.38 0.00 0.00 39.34 39.24 3hkz n TYR 680 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3hkz s ALA 681 N -2.24 -2.29 -0.75 -3.48 0.00 -1.26 -4.24 121.76 107.50 3hkz s ALA 681 Ca -0.02 2.19 0.00 0.00 0.00 0.00 0.00 51.96 54.12 3hkz s ALA 681 Cb 0.02 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.42 3hkz s ALA 681 CO 0.21 -0.34 0.68 0.00 0.00 0.00 0.00 175.76 176.31 3hkz n ALA 682 N 3.63 0.68 -0.03 0.00 0.00 -1.26 -0.39 120.51 123.14 3hkz n ALA 682 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3hkz n ALA 682 Cb 0.57 -0.60 0.01 0.00 0.00 0.00 0.00 19.45 19.43 3hkz n ALA 682 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hkz n ASN 683 N -1.18 2.05 0.00 0.00 6.94 -1.26 -4.77 115.26 117.03 3hkz n ASN 683 Ca 0.00 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 3hkz n ASN 683 Cb 0.15 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 3hkz n ASN 683 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hkz n TYR 684 N -0.47 0.00 0.04 -2.53 0.18 0.47 -2.29 117.16 112.56 3hkz n TYR 684 Ca 0.01 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.77 3hkz n TYR 684 Cb 0.27 -0.10 -0.01 0.00 -0.38 0.00 0.00 39.34 39.12 3hkz n TYR 684 CO 0.00 0.00 0.00 0.37 -2.08 0.00 0.00 176.86 175.15 3hkz h GLN 685 N 0.00 -0.11 0.00 -3.48 5.75 -1.86 -3.21 115.11 112.20 3hkz h GLN 685 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3hkz h GLN 685 Cb 0.60 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.17 3hkz h GLN 685 CO 0.00 -0.07 0.00 1.28 -2.65 0.00 0.00 178.83 177.39 3hkz n LEU 686 N -2.66 0.00 -4.78 -2.39 4.32 -0.97 -4.79 117.00 105.73 3hkz n LEU 686 Ca -0.01 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.61 3hkz n LEU 686 Cb 0.05 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.80 3hkz n LEU 686 CO 0.03 0.00 0.73 -0.13 -1.22 0.00 0.00 177.39 176.81 3hkz s ARG 687 N -2.00 4.21 -0.46 3.23 1.81 -1.13 -4.97 118.95 119.64 3hkz s ARG 687 Ca 0.17 1.51 0.07 0.00 -1.72 0.00 0.00 55.73 55.76 3hkz s ARG 687 Cb 0.08 -2.58 0.25 0.00 -0.45 0.00 0.00 34.95 32.25 3hkz s ARG 687 CO 0.13 -0.10 0.58 -2.37 -0.68 0.00 0.00 175.30 172.86 3hkz n THR 688 N 0.01 0.10 -3.89 0.02 5.66 -1.26 -4.99 114.28 109.94 3hkz n THR 688 Ca 0.05 -4.32 -0.23 0.00 -3.05 0.00 0.00 64.05 56.49 3hkz n THR 688 Cb 0.49 -1.99 -0.06 0.00 -1.55 0.00 0.00 70.33 67.23 3hkz n THR 688 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3hkz s ASP 689 N -1.50 4.70 0.36 1.09 -0.00 -1.26 -4.93 116.67 115.12 3hkz s ASP 689 Ca 0.36 -0.93 -0.01 0.00 -0.00 0.00 0.00 52.55 51.97 3hkz s ASP 689 Cb 0.16 -0.52 -0.04 0.00 -0.00 0.00 0.00 42.92 42.52 3hkz s ASP 689 CO -0.09 -0.59 0.58 -0.89 -0.00 0.00 0.00 175.17 174.19 3hkz s THR 690 N -2.54 5.07 -0.23 -1.27 2.01 -1.26 -4.57 115.64 112.85 3hkz s THR 690 Ca 0.44 -0.31 -0.20 0.00 0.31 0.00 0.00 61.69 61.93 3hkz s THR 690 Cb 0.01 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.70 3hkz s THR 690 CO 0.25 -0.57 0.34 0.54 -0.69 0.00 0.00 174.62 174.49 3hkz n ARG 691 N -1.75 -1.02 -4.41 4.92 1.74 -0.74 -4.97 116.66 110.44 3hkz n ARG 691 Ca -0.04 0.84 -0.21 0.00 -0.77 0.00 0.00 57.85 57.67 3hkz n ARG 691 Cb 0.56 -1.16 -0.09 0.00 -1.02 0.00 0.00 32.46 30.75 3hkz n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hkz s ALA 692 N -0.89 2.32 0.01 7.54 0.00 -0.76 -4.88 121.76 125.11 3hkz s ALA 692 Ca 0.20 -1.67 -0.00 0.00 0.00 0.00 0.00 51.96 50.49 3hkz s ALA 692 Cb -0.02 0.91 -0.01 0.00 0.00 0.00 0.00 23.12 24.00 3hkz s ALA 692 CO 0.45 -0.41 -0.01 -1.01 0.00 0.00 0.00 175.76 174.77 3hkz s HIS 693 N -3.43 0.19 -0.08 0.00 3.76 -1.26 -2.12 115.29 112.35 3hkz s HIS 693 Ca 0.32 -0.40 -0.00 0.00 -0.15 0.00 0.00 55.06 54.83 3hkz s HIS 693 Cb 0.05 -0.14 0.03 0.00 1.11 0.00 0.00 32.58 33.62 3hkz s HIS 693 CO 0.16 -0.16 -0.03 -1.17 -0.85 0.00 0.00 174.74 172.69 3hkz s LEU 694 N -1.16 0.94 -0.11 0.89 1.98 -0.86 -4.56 118.68 115.80 3hkz s LEU 694 Ca -0.13 -0.16 -0.30 0.00 -2.89 0.00 0.00 54.13 50.65 3hkz s LEU 694 Cb -0.08 -0.57 -0.02 0.00 0.66 0.00 0.00 46.19 46.18 3hkz s LEU 694 CO -0.01 -0.14 1.17 -0.22 -1.89 0.00 0.00 176.35 175.26 3hkz s LEU 695 N 1.64 4.23 0.17 -0.68 2.96 -0.14 -0.76 118.68 126.10 3hkz s LEU 695 Ca 0.01 1.69 -0.15 0.00 -0.22 0.00 0.00 54.13 55.46 3hkz s LEU 695 Cb -0.13 -3.55 0.11 0.00 0.50 0.00 0.00 46.19 43.12 3hkz s LEU 695 CO -0.05 -0.62 1.74 0.45 -1.32 0.00 0.00 176.35 176.56 3hkz h HIS 696 N 7.59 0.22 -3.40 5.38 3.86 -1.04 -3.38 115.15 124.38 3hkz h HIS 696 Ca -0.30 0.02 -0.58 0.00 -1.16 0.00 0.00 60.37 58.35 3hkz h HIS 696 Cb 1.13 -0.04 -0.39 0.00 1.06 0.00 0.00 27.41 29.17 3hkz h HIS 696 CO 0.75 0.07 -0.76 0.71 0.86 0.00 0.00 177.93 179.55 3hkz s TYR 697 N -6.15 1.98 0.86 2.45 2.02 -1.26 -5.10 117.35 112.15 3hkz s TYR 697 Ca -0.13 -1.65 -0.12 0.00 -0.37 0.00 0.00 57.07 54.79 3hkz s TYR 697 Cb 0.13 -1.62 0.11 0.00 -0.40 0.00 0.00 41.96 40.19 3hkz s TYR 697 CO 0.72 -0.79 1.17 -2.14 -1.57 0.00 0.00 175.55 172.95 3hkz s PRO 698 N 1.53 1.51 -0.10 -1.71 0.02 -1.26 -4.72 135.00 130.27 3hkz s PRO 698 Ca 0.02 0.14 -0.05 0.00 0.02 0.00 0.00 61.00 61.13 3hkz s PRO 698 Cb -0.18 -1.90 0.05 0.00 0.02 0.00 0.00 34.50 32.49 3hkz s PRO 698 CO -0.13 -1.91 0.24 -0.65 -0.33 0.00 0.00 177.00 174.21 3hkz s GLN 699 N -5.49 0.19 -0.02 5.54 -0.21 -1.18 -4.95 119.66 113.53 3hkz s GLN 699 Ca 0.64 0.54 -0.36 0.00 0.02 0.00 0.00 55.36 56.20 3hkz s GLN 699 Cb -0.12 -0.12 -0.14 0.00 1.00 0.00 0.00 33.01 33.63 3hkz s GLN 699 CO 0.51 -0.18 1.66 -2.13 -2.12 0.00 0.00 175.29 173.02 3hkz n ARG 700 N 4.39 1.75 -2.04 2.91 0.63 -1.26 -4.67 116.66 118.36 3hkz n ARG 700 Ca -0.23 0.64 -0.36 0.00 -0.92 0.00 0.00 57.85 56.98 3hkz n ARG 700 Cb 0.52 -2.39 -0.04 0.00 0.45 0.00 0.00 32.46 31.01 3hkz n ARG 700 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3hkz s PRO 701 N 2.33 2.60 0.25 -0.14 0.02 -1.26 -4.83 135.00 133.98 3hkz s PRO 701 Ca 0.88 0.39 -0.31 0.00 0.02 0.00 0.00 61.00 61.99 3hkz s PRO 701 Cb -0.82 -4.56 -0.11 0.00 0.02 0.00 0.00 34.50 29.03 3hkz s PRO 701 CO 0.50 -2.90 1.61 -0.51 -0.33 0.00 0.00 177.00 175.36 3hkz s LEU 702 N 9.36 4.36 -0.14 -5.54 1.43 -1.26 -3.69 118.68 123.19 3hkz s LEU 702 Ca 0.68 2.87 -0.05 0.00 -1.03 0.00 0.00 54.13 56.60 3hkz s LEU 702 Cb -0.11 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.51 3hkz s LEU 702 CO 0.15 -0.90 0.10 0.52 0.23 0.00 0.00 176.35 176.46 3hkz n VAL 703 N 2.82 -8.71 -4.50 -1.59 0.31 -1.23 -4.68 118.33 100.74 3hkz n VAL 703 Ca 0.10 1.50 -0.26 0.00 -0.01 0.00 0.00 64.34 65.68 3hkz n VAL 703 Cb 0.37 -5.51 -0.08 0.00 -0.91 0.00 0.00 33.84 27.71 3hkz n VAL 703 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hkz s GLN 704 N -0.87 1.96 0.01 5.55 -2.07 -1.10 -4.90 119.66 118.25 3hkz s GLN 704 Ca -0.12 -2.20 0.00 0.00 -1.82 0.00 0.00 55.36 51.22 3hkz s GLN 704 Cb 0.01 -0.50 0.00 0.00 -1.09 0.00 0.00 33.01 31.43 3hkz s GLN 704 CO 0.48 -0.53 0.02 2.41 -1.32 0.00 0.00 175.29 176.35 3hkz n THR 705 N -0.92 0.00 -0.08 3.63 -1.04 -1.25 0.60 114.28 115.22 3hkz n THR 705 Ca -0.05 -0.04 -0.07 0.00 -2.04 0.00 0.00 64.05 61.85 3hkz n THR 705 Cb 0.64 -1.20 -0.15 0.00 -1.82 0.00 0.00 70.33 67.81 3hkz n THR 705 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3hkz n ARG 706 N -1.03 0.97 0.27 -2.82 0.63 -1.26 -4.15 116.66 109.26 3hkz n ARG 706 Ca 0.00 -0.03 0.13 0.00 -0.92 0.00 0.00 57.85 57.04 3hkz n ARG 706 Cb 0.01 -1.47 0.73 0.00 0.45 0.00 0.00 32.46 32.19 3hkz n ARG 706 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hkz h ALA 707 N 1.00 1.25 0.00 5.13 0.00 -1.97 -3.08 119.26 121.60 3hkz h ALA 707 Ca -0.44 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3hkz h ALA 707 Cb 1.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3hkz h ALA 707 CO 0.02 0.14 0.00 -0.11 0.00 0.00 0.00 179.25 179.30 3hkz n LEU 708 N -3.59 0.26 0.08 0.00 -0.00 -1.26 -1.48 117.00 111.01 3hkz n LEU 708 Ca -0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 3hkz n LEU 708 Cb 0.24 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 3hkz n LEU 708 CO 0.30 0.06 0.00 -0.67 -0.00 0.00 0.00 177.39 177.07 3hkz n ASP 709 N 0.48 0.47 0.00 1.96 2.03 -1.16 -3.18 116.55 117.15 3hkz n ASP 709 Ca 0.00 0.25 0.10 0.00 0.52 0.00 0.00 54.79 55.66 3hkz n ASP 709 Cb 0.06 -0.01 0.60 0.00 -0.72 0.00 0.00 41.12 41.04 3hkz n ASP 709 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3hkz n ILE 710 N -3.33 0.00 0.09 5.18 -0.00 -1.16 -0.41 119.36 119.73 3hkz n ILE 710 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 62.75 62.76 3hkz n ILE 710 Cb 0.00 -0.65 -0.03 0.00 -0.00 0.00 0.00 39.64 38.96 3hkz n ILE 710 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 3hkz h ILE 711 N 0.00 0.70 0.00 7.28 2.04 -1.56 -3.45 117.51 122.53 3hkz h ILE 711 Ca 0.00 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.73 3hkz h ILE 711 Cb 0.00 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 3hkz h ILE 711 CO 0.00 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.16 3hkz n GLY 712 N 1.31 0.71 0.30 5.37 0.00 0.45 -4.95 105.19 108.38 3hkz n GLY 712 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 3hkz n GLY 712 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hkz h TYR 713 N 0.00 -0.62 -0.06 1.61 3.20 -1.77 0.21 116.97 119.55 3hkz h TYR 713 Ca 0.00 0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.95 3hkz h TYR 713 Cb 0.00 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 3hkz h TYR 713 CO 0.00 -0.34 0.09 1.79 -1.64 0.00 0.00 178.16 178.06 3hkz h THR 714 N -0.07 0.33 0.12 1.81 1.35 -1.83 0.39 112.91 115.00 3hkz h THR 714 Ca 0.29 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.88 3hkz h THR 714 Cb 0.53 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3hkz h THR 714 CO -0.71 0.00 -1.22 -1.13 -0.25 0.00 0.00 175.52 172.21 3hkz h ASN 715 N 0.00 0.42 -2.52 5.36 -0.00 -1.30 -3.43 115.58 114.11 3hkz h ASN 715 Ca 0.03 -0.44 -0.56 0.00 -0.00 0.00 0.00 56.30 55.33 3hkz h ASN 715 Cb 0.21 -0.14 -0.38 0.00 -0.00 0.00 0.00 38.32 38.01 3hkz h ASN 715 CO -0.00 1.34 -0.84 -0.13 -0.00 0.00 0.00 177.43 177.80 3hkz s ARG 716 N -2.68 0.56 0.10 6.67 0.52 0.13 -5.10 118.95 119.14 3hkz s ARG 716 Ca -0.04 -1.30 -0.01 0.00 -0.52 0.00 0.00 55.73 53.87 3hkz s ARG 716 Cb 0.07 -1.24 0.02 0.00 0.52 0.00 0.00 34.95 34.32 3hkz s ARG 716 CO 0.88 -1.21 0.14 -0.35 0.02 0.00 0.00 175.30 174.78 3hkz n PRO 717 N 4.04 0.34 -0.83 3.54 -0.04 -0.75 -4.64 135.00 136.66 3hkz n PRO 717 Ca 0.12 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 3hkz n PRO 717 Cb 0.38 -0.11 -0.00 0.00 -0.04 0.00 0.00 33.50 33.72 3hkz n PRO 717 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hkz n ALA 718 N -3.02 2.33 -3.55 0.55 0.00 -1.26 -3.42 120.51 112.14 3hkz n ALA 718 Ca -0.02 -1.10 -0.08 0.00 0.00 0.00 0.00 53.44 52.24 3hkz n ALA 718 Cb 0.08 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 3hkz n ALA 718 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hkz s GLY 719 N -1.05 -0.35 0.41 0.00 0.00 -1.26 -3.69 107.32 101.39 3hkz s GLY 719 Ca 0.09 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.30 3hkz s GLY 719 CO -0.04 0.59 0.63 -1.31 0.00 0.00 0.00 173.10 172.97 3hkz s ASN 720 N -2.00 6.02 -1.19 1.64 0.02 -1.09 -3.12 114.94 115.22 3hkz s ASN 720 Ca 0.04 0.36 -0.11 0.00 -1.02 0.00 0.00 52.86 52.14 3hkz s ASN 720 Cb -0.01 -1.73 0.21 0.00 0.02 0.00 0.00 41.25 39.74 3hkz s ASN 720 CO -0.05 -0.55 1.47 0.59 0.02 0.00 0.00 177.10 178.59 3hkz n ASN 721 N -1.97 5.40 -4.77 -1.22 3.02 -1.26 -1.08 115.26 113.38 3hkz n ASN 721 Ca -0.01 -3.07 -0.40 0.00 -0.03 0.00 0.00 54.58 51.07 3hkz n ASN 721 Cb 0.57 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 3hkz n ASN 721 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hkz s ALA 722 N 0.18 3.33 -0.95 5.41 0.00 0.11 -4.69 121.76 125.14 3hkz s ALA 722 Ca 0.38 1.36 -0.24 0.00 0.00 0.00 0.00 51.96 53.46 3hkz s ALA 722 Cb -0.01 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 3hkz s ALA 722 CO -0.00 -0.95 1.73 0.42 0.00 0.00 0.00 175.76 176.95 3hkz s ILE 723 N -1.21 3.65 -0.04 0.00 -1.09 -1.26 -1.32 121.20 119.93 3hkz s ILE 723 Ca 0.57 -0.52 -0.21 0.00 -2.23 0.00 0.00 60.65 58.25 3hkz s ILE 723 Cb -0.41 -4.46 -0.05 0.00 -1.58 0.00 0.00 42.46 35.96 3hkz s ILE 723 CO 0.54 -1.38 0.63 -0.22 -1.23 0.00 0.00 174.94 173.28 3hkz s LEU 724 N 7.85 4.37 -0.21 2.97 2.96 -0.18 0.10 118.68 136.53 3hkz s LEU 724 Ca 0.59 1.14 0.01 0.00 -0.22 0.00 0.00 54.13 55.66 3hkz s LEU 724 Cb -0.04 -2.97 0.04 0.00 0.50 0.00 0.00 46.19 43.73 3hkz s LEU 724 CO -0.04 0.01 -0.11 0.00 -1.32 0.00 0.00 176.35 174.88 3hkz s ALA 725 N 0.27 2.13 -0.75 5.97 0.00 0.51 -1.52 121.76 128.35 3hkz s ALA 725 Ca 0.33 -1.30 -0.22 0.00 0.00 0.00 0.00 51.96 50.78 3hkz s ALA 725 Cb -0.18 -1.32 0.08 0.00 0.00 0.00 0.00 23.12 21.71 3hkz s ALA 725 CO 0.17 -0.83 1.05 0.08 0.00 0.00 0.00 175.76 176.23 3hkz s VAL 726 N 1.34 4.38 0.08 0.00 1.01 -0.84 -2.67 120.40 123.69 3hkz s VAL 726 Ca -0.02 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 3hkz s VAL 726 Cb -0.16 -4.74 0.03 0.00 0.00 0.00 0.00 36.38 31.50 3hkz s VAL 726 CO -0.08 -1.52 0.36 0.00 0.00 0.00 0.00 175.10 173.86 3hkz s MET 727 N 3.84 0.94 0.10 2.72 0.23 -1.08 -3.95 119.30 122.11 3hkz s MET 727 Ca 0.27 -0.59 -0.18 0.00 -1.03 0.00 0.00 55.69 54.16 3hkz s MET 727 Cb -0.12 0.41 -0.07 0.00 -1.53 0.00 0.00 34.83 33.52 3hkz s MET 727 CO 0.04 -0.34 0.57 -1.54 -2.03 0.00 0.00 175.02 171.73 3hkz s SER 728 N -2.42 7.00 -0.29 -1.18 1.04 -1.26 -4.31 113.70 112.28 3hkz s SER 728 Ca -0.01 1.22 -0.22 0.00 0.48 0.00 0.00 55.95 57.42 3hkz s SER 728 Cb 0.01 -2.34 0.17 0.00 0.10 0.00 0.00 66.02 63.95 3hkz s SER 728 CO -0.07 0.22 1.23 0.12 0.98 0.00 0.00 173.24 175.71 3hkz s PHE 729 N -1.23 -0.25 0.00 5.02 5.36 -1.26 -4.97 117.98 120.65 3hkz s PHE 729 Ca 0.32 0.57 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 3hkz s PHE 729 Cb -0.18 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 3hkz s PHE 729 CO 0.19 -0.12 0.00 0.25 -1.46 0.00 0.00 175.22 174.08 3hkz n THR 730 N 2.33 0.00 -0.95 0.12 -2.24 -1.26 -3.54 114.28 108.74 3hkz n THR 730 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3hkz n THR 730 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 3hkz n THR 730 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hkz n GLY 731 N -0.86 0.32 0.01 3.38 0.00 -1.26 -4.90 105.19 101.88 3hkz n GLY 731 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3hkz n GLY 731 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hkz n TYR 732 N -2.41 0.09 0.22 1.61 4.02 -1.23 -3.54 117.16 115.92 3hkz n TYR 732 Ca 0.00 0.03 0.10 0.00 -0.01 0.00 0.00 57.90 58.02 3hkz n TYR 732 Cb 0.18 -0.42 0.19 0.00 -0.02 0.00 0.00 39.34 39.27 3hkz n TYR 732 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3hkz n ASN 733 N -1.58 3.22 -4.75 7.72 6.94 -1.26 -4.27 115.26 121.28 3hkz n ASN 733 Ca 0.06 -1.93 -0.38 0.00 -0.02 0.00 0.00 54.58 52.31 3hkz n ASN 733 Cb 0.35 -0.22 0.04 0.00 -2.36 0.00 0.00 39.78 37.58 3hkz n ASN 733 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3hkz s MET 734 N -1.32 3.15 -0.29 -3.83 -1.94 -1.23 -2.79 119.30 111.04 3hkz s MET 734 Ca 0.33 2.16 -0.00 0.00 -1.71 0.00 0.00 55.69 56.47 3hkz s MET 734 Cb 0.20 -2.23 0.00 0.00 2.01 0.00 0.00 34.83 34.81 3hkz s MET 734 CO 0.27 -1.16 0.00 0.39 -0.01 0.00 0.00 175.02 174.51 3hkz n GLU 735 N -1.07 -3.35 -0.82 2.03 -0.58 -1.26 -4.32 120.64 111.28 3hkz n GLU 735 Ca 0.11 2.69 0.00 0.00 -0.42 0.00 0.00 57.16 59.54 3hkz n GLU 735 Cb 0.46 -5.19 0.00 0.00 -0.57 0.00 0.00 31.44 26.14 3hkz n GLU 735 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hkz n ASP 736 N 0.67 0.00 -3.88 1.62 9.92 -1.26 -4.88 116.55 118.74 3hkz n ASP 736 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 3hkz n ASP 736 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 3hkz n ASP 736 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3hkz s SER 737 N 0.00 -0.19 -0.02 -2.24 0.15 -1.12 -4.19 113.70 106.09 3hkz s SER 737 Ca 0.00 -0.70 0.02 0.00 0.70 0.00 0.00 55.95 55.97 3hkz s SER 737 Cb 0.00 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 3hkz s SER 737 CO 0.00 -1.16 -0.08 -0.51 1.20 0.00 0.00 173.24 172.69 3hkz s ILE 738 N -3.95 0.66 -0.38 6.45 1.10 -1.13 -4.32 121.20 119.64 3hkz s ILE 738 Ca 0.15 -0.30 0.00 0.00 -0.51 0.00 0.00 60.65 60.00 3hkz s ILE 738 Cb -0.02 -0.60 0.11 0.00 0.15 0.00 0.00 42.46 42.09 3hkz s ILE 738 CO 0.05 0.21 0.14 -0.51 -2.11 0.00 0.00 174.94 172.72 3hkz s ILE 739 N 0.21 2.85 0.17 2.00 -1.16 -1.24 0.19 121.20 124.22 3hkz s ILE 739 Ca -0.03 -2.18 -0.14 0.00 -0.51 0.00 0.00 60.65 57.78 3hkz s ILE 739 Cb -0.08 -3.01 -0.07 0.00 0.61 0.00 0.00 42.46 39.91 3hkz s ILE 739 CO 0.00 -0.65 0.58 -0.32 -2.81 0.00 0.00 174.94 171.74 3hkz s MET 740 N 1.04 4.00 0.52 3.50 -2.45 -1.07 -2.36 119.30 122.47 3hkz s MET 740 Ca 0.09 0.52 -0.20 0.00 -1.25 0.00 0.00 55.69 54.85 3hkz s MET 740 Cb -0.21 -2.87 -0.06 0.00 1.25 0.00 0.00 34.83 32.94 3hkz s MET 740 CO -0.06 0.43 1.15 1.21 1.05 0.00 0.00 175.02 178.80 3hkz s ASN 741 N -1.81 5.81 0.13 1.11 3.84 -0.75 -1.87 114.94 121.39 3hkz s ASN 741 Ca 0.40 2.23 0.04 0.00 0.21 0.00 0.00 52.86 55.74 3hkz s ASN 741 Cb -0.15 -2.59 -0.14 0.00 -0.55 0.00 0.00 41.25 37.82 3hkz s ASN 741 CO 0.20 -1.16 1.30 -0.09 -2.79 0.00 0.00 177.10 174.55 3hkz h ARG 742 N 1.41 0.09 0.01 0.43 2.43 -1.53 -3.24 114.38 113.97 3hkz h ARG 742 Ca -0.50 -0.13 -0.33 0.00 -0.81 0.00 0.00 59.98 58.21 3hkz h ARG 742 Cb 1.26 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.80 3hkz h ARG 742 CO 0.58 1.00 -1.98 0.43 -1.51 0.00 0.00 179.97 178.49 3hkz n SER 743 N -3.48 0.77 -0.33 -3.80 7.64 -1.26 -1.49 113.62 111.67 3hkz n SER 743 Ca -0.02 0.24 0.07 0.00 1.01 0.00 0.00 58.87 60.16 3hkz n SER 743 Cb 0.91 0.18 0.26 0.00 -1.01 0.00 0.00 64.21 64.55 3hkz n SER 743 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3hkz h SER 744 N 0.01 0.88 -0.14 6.43 0.02 -1.95 -0.49 113.55 118.31 3hkz h SER 744 Ca -0.39 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 3hkz h SER 744 Cb 2.08 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.47 3hkz h SER 744 CO 0.06 0.51 0.00 0.58 -1.14 0.00 0.00 176.83 176.83 3hkz h VAL 745 N 0.97 1.25 0.00 2.27 2.07 -1.58 -1.81 116.25 119.43 3hkz h VAL 745 Ca 0.45 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3hkz h VAL 745 Cb 0.41 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3hkz h VAL 745 CO -0.21 0.24 0.00 -0.62 0.02 0.00 0.00 177.57 177.00 3hkz n GLU 746 N -4.77 0.02 0.00 1.57 1.02 -0.55 -1.80 120.64 116.14 3hkz n GLU 746 Ca -0.05 0.27 0.10 0.00 -0.02 0.00 0.00 57.16 57.45 3hkz n GLU 746 Cb 0.21 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 3hkz n GLU 746 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hkz n ARG 747 N -1.47 1.32 0.00 3.49 1.74 -0.26 -5.00 116.66 116.48 3hkz n ARG 747 Ca 0.03 -0.80 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 3hkz n ARG 747 Cb 0.14 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 3hkz n ARG 747 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hkz n GLY 748 N 1.33 1.57 3.67 -0.13 0.00 -0.75 -5.09 105.19 105.79 3hkz n GLY 748 Ca 0.08 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.60 3hkz n GLY 748 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hkz n MET 749 N 0.00 1.95 -0.88 1.61 0.00 -0.69 -1.69 117.12 117.42 3hkz n MET 749 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 57.70 58.40 3hkz n MET 749 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 33.22 30.64 3hkz n MET 749 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3hkz n TYR 750 N 6.93 0.00 -1.69 1.12 4.02 -1.26 -4.52 117.16 121.75 3hkz n TYR 750 Ca 0.25 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.70 3hkz n TYR 750 Cb 0.27 -1.15 -0.04 0.00 -0.02 0.00 0.00 39.34 38.41 3hkz n TYR 750 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3hkz n ARG 751 N -1.04 2.46 -0.51 -0.72 1.74 -0.68 -4.53 116.66 113.38 3hkz n ARG 751 Ca 0.00 0.89 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 3hkz n ARG 751 Cb 0.20 -2.69 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 3hkz n ARG 751 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hkz n SER 752 N 3.68 1.66 -3.77 0.55 3.41 -0.85 -0.45 113.62 117.85 3hkz n SER 752 Ca 0.16 -0.28 -0.13 0.00 -0.26 0.00 0.00 58.87 58.37 3hkz n SER 752 Cb 0.32 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.17 3hkz n SER 752 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hkz s THR 753 N 0.67 0.02 0.02 6.66 2.01 0.06 -3.47 115.64 121.61 3hkz s THR 753 Ca 0.00 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 3hkz s THR 753 Cb 0.00 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 3hkz s THR 753 CO 0.00 -0.11 0.13 0.12 -0.69 0.00 0.00 174.62 174.08 3hkz s PHE 754 N -0.40 3.38 -0.15 4.92 5.36 -0.88 -2.04 117.98 128.17 3hkz s PHE 754 Ca -0.05 0.23 -0.01 0.00 -0.96 0.00 0.00 56.93 56.14 3hkz s PHE 754 Cb -0.03 -1.74 0.04 0.00 -0.34 0.00 0.00 43.02 40.94 3hkz s PHE 754 CO 0.02 0.58 -0.03 -0.06 -1.46 0.00 0.00 175.22 174.27 3hkz s PHE 755 N -1.32 1.40 0.36 10.12 0.40 -0.90 -2.11 117.98 125.92 3hkz s PHE 755 Ca 0.27 -0.88 0.08 0.00 -0.60 0.00 0.00 56.93 55.80 3hkz s PHE 755 Cb -0.12 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.20 3hkz s PHE 755 CO 0.19 -0.57 0.28 0.50 0.70 0.00 0.00 175.22 176.33 3hkz s ARG 756 N 1.73 2.59 -0.06 0.44 3.52 -1.24 -1.78 118.95 124.14 3hkz s ARG 756 Ca 0.01 -1.43 0.01 0.00 -0.13 0.00 0.00 55.73 54.20 3hkz s ARG 756 Cb -0.15 -2.37 0.02 0.00 -1.56 0.00 0.00 34.95 30.88 3hkz s ARG 756 CO -0.07 0.01 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.18 3hkz s LEU 757 N -4.00 1.42 0.25 -0.88 0.20 -1.26 -1.15 118.68 113.26 3hkz s LEU 757 Ca 0.42 -0.22 0.12 0.00 0.69 0.00 0.00 54.13 55.14 3hkz s LEU 757 Cb -0.04 -0.65 -0.05 0.00 -0.43 0.00 0.00 46.19 45.02 3hkz s LEU 757 CO 0.26 -0.03 -0.21 -0.31 -0.29 0.00 0.00 176.35 175.77 3hkz s TYR 758 N 0.93 2.31 0.00 5.38 1.51 0.45 -4.97 117.35 122.96 3hkz s TYR 758 Ca -0.10 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 3hkz s TYR 758 Cb -0.15 -1.05 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 3hkz s TYR 758 CO 0.01 0.64 0.00 -1.13 -1.11 0.00 0.00 175.55 173.96 3hkz n SER 759 N -0.32 0.00 -3.92 2.29 3.41 -1.26 -0.11 113.62 113.72 3hkz n SER 759 Ca -0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.44 3hkz n SER 759 Cb 0.59 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 3hkz n SER 759 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3hkz s THR 760 N -2.00 0.00 0.49 6.66 -4.23 -1.16 -5.03 115.64 110.36 3hkz s THR 760 Ca 0.00 -1.36 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 3hkz s THR 760 Cb 0.00 -2.22 0.04 0.00 1.34 0.00 0.00 72.50 71.66 3hkz s THR 760 CO 0.00 0.00 0.37 -0.62 -0.54 0.00 0.00 174.62 173.83 3hkz n GLU 761 N -0.40 0.77 -0.07 3.99 1.02 -1.26 -2.58 120.64 122.11 3hkz n GLU 761 Ca -0.02 -3.02 -0.22 0.00 -0.02 0.00 0.00 57.16 53.88 3hkz n GLU 761 Cb 0.61 0.31 -0.12 0.00 -0.02 0.00 0.00 31.44 32.22 3hkz n GLU 761 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3hkz n GLU 762 N -1.65 0.63 -1.54 3.49 2.13 -1.26 -4.81 120.64 117.62 3hkz n GLU 762 Ca -0.01 0.48 -0.41 0.00 0.66 0.00 0.00 57.16 57.87 3hkz n GLU 762 Cb 0.55 -1.73 -0.05 0.00 0.27 0.00 0.00 31.44 30.48 3hkz n GLU 762 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3hkz n VAL 763 N -4.14 0.09 -0.39 6.31 0.31 -1.26 -4.34 118.33 114.90 3hkz n VAL 763 Ca -0.32 -0.54 0.07 0.00 -0.01 0.00 0.00 64.34 63.54 3hkz n VAL 763 Cb 0.80 -2.33 0.22 0.00 -0.91 0.00 0.00 33.84 31.62 3hkz n VAL 763 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3hkz n LYS 764 N 8.75 2.98 -3.55 5.55 5.02 -1.26 -4.98 118.16 130.67 3hkz n LYS 764 Ca 0.38 -2.38 -0.13 0.00 -2.02 0.00 0.00 58.31 54.17 3hkz n LYS 764 Cb 0.42 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.89 3hkz n LYS 764 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3hkz s TYR 765 N -1.40 -0.47 0.66 2.13 5.04 -1.26 -4.71 117.35 117.34 3hkz s TYR 765 Ca 0.34 0.75 -0.09 0.00 -2.44 0.00 0.00 57.07 55.63 3hkz s TYR 765 Cb 0.20 0.45 0.02 0.00 0.35 0.00 0.00 41.96 42.98 3hkz s TYR 765 CO 0.18 -0.47 1.01 -1.25 -1.34 0.00 0.00 175.55 173.69 3hkz s PRO 766 N -1.40 2.80 0.69 4.97 0.04 -1.26 -4.30 135.00 136.54 3hkz s PRO 766 Ca -0.04 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.21 3hkz s PRO 766 Cb -0.00 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3hkz s PRO 766 CO 0.03 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.55 3hkz n GLY 767 N -2.84 1.04 3.80 0.56 0.00 -1.26 -4.56 105.19 101.93 3hkz n GLY 767 Ca 0.06 0.49 -0.33 0.00 0.00 0.00 0.00 46.02 46.24 3hkz n GLY 767 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hkz s GLY 768 N 0.00 2.99 0.00 -0.02 0.00 -1.26 -5.06 107.32 103.97 3hkz s GLY 768 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.43 3hkz s GLY 768 CO 0.00 -2.18 0.00 -1.06 0.00 0.00 0.00 173.10 169.86 3hkz n GLN 769 N -1.37 0.00 -0.32 2.90 6.02 -1.26 -4.84 117.38 118.51 3hkz n GLN 769 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 3hkz n GLN 769 Cb 0.67 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.93 3hkz n GLN 769 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3hkz n GLU 770 N 12.11 -0.21 -4.51 -1.09 0.00 -1.26 -4.95 120.64 120.73 3hkz n GLU 770 Ca 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 57.16 57.25 3hkz n GLU 770 Cb 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 31.44 31.21 3hkz n GLU 770 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3hkz n ASP 771 N -0.19 3.31 -2.78 4.31 9.92 -1.26 -4.89 116.55 124.97 3hkz n ASP 771 Ca 0.00 -3.09 -0.14 0.00 -0.53 0.00 0.00 54.79 51.03 3hkz n ASP 771 Cb 0.00 0.34 -0.04 0.00 -0.64 0.00 0.00 41.12 40.78 3hkz n ASP 771 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3hkz n LYS 772 N -1.19 0.66 -3.49 -1.24 5.02 -1.21 -4.45 118.16 112.26 3hkz n LYS 772 Ca -0.20 -1.99 -0.32 0.00 -2.02 0.00 0.00 58.31 53.78 3hkz n LYS 772 Cb 0.60 1.16 -0.07 0.00 -0.02 0.00 0.00 35.03 36.70 3hkz n LYS 772 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hkz n ILE 773 N -0.51 2.86 -4.08 -0.18 5.41 -1.26 -2.10 119.36 119.50 3hkz n ILE 773 Ca -0.02 -5.25 -0.15 0.00 1.00 0.00 0.00 62.75 58.32 3hkz n ILE 773 Cb 0.35 -2.17 -0.15 0.00 -0.71 0.00 0.00 39.64 36.96 3hkz n ILE 773 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3hkz s VAL 774 N -2.11 0.32 -0.45 1.39 1.01 -1.16 -4.58 120.40 114.82 3hkz s VAL 774 Ca 0.33 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 3hkz s VAL 774 Cb 0.05 -0.29 -0.15 0.00 0.00 0.00 0.00 36.38 36.00 3hkz s VAL 774 CO -0.05 0.10 1.68 0.80 0.00 0.00 0.00 175.10 177.63 3hkz n MET 775 N 3.13 0.00 -1.82 2.72 1.56 -1.26 -4.69 117.12 116.76 3hkz n MET 775 Ca -0.14 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 56.99 3hkz n MET 775 Cb 0.58 -1.12 0.07 0.00 2.15 0.00 0.00 33.22 34.90 3hkz n MET 775 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3hkz s PRO 776 N 4.92 2.32 0.00 2.12 0.04 -1.26 -5.03 135.00 138.11 3hkz s PRO 776 Ca 0.92 0.35 0.00 0.00 0.04 0.00 0.00 61.00 62.30 3hkz s PRO 776 Cb -1.08 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 31.49 3hkz s PRO 776 CO 0.46 -1.39 0.00 0.39 0.04 0.00 0.00 177.00 176.50 3hkz n GLU 777 N -3.23 0.17 -3.58 4.56 1.02 -1.26 -5.07 120.64 113.25 3hkz n GLU 777 Ca 0.07 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.81 3hkz n GLU 777 Cb 0.59 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.90 3hkz n GLU 777 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hkz s ALA 778 N -2.00 3.37 0.18 0.62 0.00 -1.26 -4.94 121.76 117.73 3hkz s ALA 778 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.43 3hkz s ALA 778 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.53 3hkz s ALA 778 CO 0.00 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.03 3hkz n GLY 779 N 5.05 -0.19 0.00 0.00 0.00 -1.26 -5.05 105.19 103.73 3hkz n GLY 779 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3hkz n GLY 779 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hkz n VAL 780 N -3.19 0.00 0.00 1.61 0.31 -1.26 -4.99 118.33 110.81 3hkz n VAL 780 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hkz n VAL 780 Cb 0.02 1.20 0.00 0.00 -0.91 0.00 0.00 33.84 34.15 3hkz n VAL 780 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3hkz n ARG 781 N 0.00 0.00 -3.72 5.55 0.00 -1.26 -0.50 116.66 116.72 3hkz n ARG 781 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 3hkz n ARG 781 Cb 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.47 3hkz n ARG 781 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3hkz s GLY 782 N 0.00 -0.24 0.00 5.14 0.00 -1.18 -4.97 107.32 106.08 3hkz s GLY 782 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.89 3hkz s GLY 782 CO 0.00 1.29 0.00 -1.72 0.00 0.00 0.00 173.10 172.67 3hkz n TYR 783 N 3.90 0.00 -3.14 1.90 4.02 -1.26 -4.07 117.16 118.50 3hkz n TYR 783 Ca -0.21 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.72 3hkz n TYR 783 Cb 0.55 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.87 3hkz n TYR 783 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3hkz s LYS 784 N 4.67 0.34 0.27 -0.72 1.02 -1.26 -4.78 119.74 119.29 3hkz s LYS 784 Ca 0.00 0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.29 3hkz s LYS 784 Cb 0.00 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.45 3hkz s LYS 784 CO 0.00 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 3hkz n GLY 785 N 5.18 -2.54 2.95 -3.33 0.00 -1.26 -5.01 105.19 101.17 3hkz n GLY 785 Ca 0.07 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 3hkz n GLY 785 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s LYS 786 N -2.98 0.19 -1.44 1.61 1.02 -1.26 -4.89 119.74 111.99 3hkz s LYS 786 Ca 0.00 -0.32 -0.09 0.00 0.02 0.00 0.00 55.97 55.59 3hkz s LYS 786 Cb 0.00 0.07 0.05 0.00 -0.52 0.00 0.00 37.83 37.43 3hkz s LYS 786 CO 0.00 -0.03 0.67 0.39 -0.92 0.00 0.00 175.35 175.46 3hkz n GLU 787 N 2.25 -4.65 0.08 1.68 4.71 -1.26 -4.84 120.64 118.61 3hkz n GLU 787 Ca -0.19 0.68 -0.23 0.00 -0.01 0.00 0.00 57.16 57.41 3hkz n GLU 787 Cb 0.57 -5.50 -0.15 0.00 -1.01 0.00 0.00 31.44 25.35 3hkz n GLU 787 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 3hkz h TYR 788 N -1.45 0.72 -0.85 -0.32 0.05 -1.95 -3.43 116.97 109.74 3hkz h TYR 788 Ca -0.50 -0.53 0.11 0.00 0.05 0.00 0.00 58.73 57.86 3hkz h TYR 788 Cb 1.34 -0.03 -0.12 0.00 1.01 0.00 0.00 36.73 38.93 3hkz h TYR 788 CO 0.59 1.59 -0.41 0.66 -1.05 0.00 0.00 178.16 179.54 3hkz n TYR 789 N -3.74 -0.16 0.00 4.88 0.53 -1.26 -4.21 117.16 113.19 3hkz n TYR 789 Ca -0.22 1.05 0.00 0.00 -1.02 0.00 0.00 57.90 57.71 3hkz n TYR 789 Cb 1.02 -0.70 0.00 0.00 -1.03 0.00 0.00 39.34 38.64 3hkz n TYR 789 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 3hkz n ARG 790 N -5.16 0.00 0.30 -0.72 3.00 -1.26 -0.14 116.66 112.68 3hkz n ARG 790 Ca 0.05 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 58.06 3hkz n ARG 790 Cb 0.28 0.00 0.93 0.00 0.00 0.00 0.00 32.46 33.67 3hkz n ARG 790 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3hkz h LEU 791 N 0.00 0.00 -9.65 6.15 3.38 -1.90 -3.40 115.31 109.89 3hkz h LEU 791 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3hkz h LEU 791 Cb 0.00 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.79 3hkz h LEU 791 CO 0.00 0.00 0.79 -0.76 0.09 0.00 0.00 178.44 178.56 3hkz s LEU 792 N -7.61 4.38 0.00 1.67 1.43 0.81 -4.13 118.68 115.22 3hkz s LEU 792 Ca -0.05 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 3hkz s LEU 792 Cb 0.15 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.77 3hkz s LEU 792 CO 0.54 -0.72 0.00 -0.62 0.23 0.00 0.00 176.35 175.78 3hkz n GLU 793 N 3.26 3.10 -0.16 1.70 4.71 -0.32 -4.78 120.64 128.15 3hkz n GLU 793 Ca 0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.15 3hkz n GLU 793 Cb 0.40 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.83 3hkz n GLU 793 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 3hkz h ASP 794 N 0.00 0.77 0.43 1.62 2.03 -1.96 -3.05 116.42 116.26 3hkz h ASP 794 Ca 0.00 -0.30 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 3hkz h ASP 794 Cb 0.00 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.29 3hkz h ASP 794 CO 0.00 0.88 0.00 -0.46 -1.03 0.00 0.00 179.24 178.63 3hkz n ASN 795 N -4.40 0.00 0.00 4.15 0.23 -1.26 -4.12 115.26 109.86 3hkz n ASN 795 Ca 0.00 0.47 0.00 0.00 -0.53 0.00 0.00 54.58 54.52 3hkz n ASN 795 Cb 0.29 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 3hkz n ASN 795 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hkz n GLY 796 N -0.18 0.77 3.03 4.83 0.00 -1.15 -4.10 105.19 108.39 3hkz n GLY 796 Ca 0.03 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 3hkz n GLY 796 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkz s VAL 797 N -2.00 0.32 1.16 1.61 1.01 -1.26 0.11 120.40 121.35 3hkz s VAL 797 Ca 0.00 -1.12 -0.18 0.00 0.00 0.00 0.00 61.98 60.69 3hkz s VAL 797 Cb 0.00 -0.59 0.27 0.00 0.00 0.00 0.00 36.38 36.05 3hkz s VAL 797 CO 0.00 -0.52 1.10 0.68 0.00 0.00 0.00 175.10 176.36 3hkz s VAL 798 N -1.78 1.70 -0.14 2.92 -7.23 -1.10 -1.18 120.40 113.59 3hkz s VAL 798 Ca -0.10 0.00 -0.09 0.00 -1.81 0.00 0.00 61.98 59.98 3hkz s VAL 798 Cb -0.07 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.43 3hkz s VAL 798 CO -0.01 0.00 0.34 -0.94 -0.31 0.00 0.00 175.10 174.18 3hkz s SER 799 N -3.77 -0.40 0.00 4.85 1.04 -1.26 -4.86 113.70 109.30 3hkz s SER 799 Ca 0.70 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.86 3hkz s SER 799 Cb -0.12 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3hkz s SER 799 CO 0.57 -0.17 0.00 -2.65 0.98 0.00 0.00 173.24 171.97 3hkz n PRO 800 N 3.92 0.00 0.00 4.02 -0.02 -1.26 -3.92 135.00 137.73 3hkz n PRO 800 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 3hkz n PRO 800 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 3hkz n PRO 800 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hkz n GLU 801 N 0.00 0.00 -3.66 -0.52 -0.58 -0.90 -4.51 120.64 110.48 3hkz n GLU 801 Ca 0.00 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 3hkz n GLU 801 Cb 0.00 -0.01 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 3hkz n GLU 801 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3hkz s VAL 802 N 0.00 4.05 -0.29 2.62 1.01 -1.25 -4.83 120.40 121.71 3hkz s VAL 802 Ca 0.00 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.35 3hkz s VAL 802 Cb 0.00 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 3hkz s VAL 802 CO 0.00 -0.41 2.24 -0.62 0.00 0.00 0.00 175.10 176.32 3hkz n GLU 803 N 4.87 1.63 -4.19 2.72 1.02 -1.26 -1.91 120.64 123.52 3hkz n GLU 803 Ca -0.10 0.41 -0.30 0.00 -0.02 0.00 0.00 57.16 57.15 3hkz n GLU 803 Cb 0.43 -3.05 -0.09 0.00 -0.02 0.00 0.00 31.44 28.71 3hkz n GLU 803 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hkz s VAL 804 N 8.50 3.79 0.27 2.62 1.01 -0.77 -4.97 120.40 130.85 3hkz s VAL 804 Ca 1.03 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 62.00 3hkz s VAL 804 Cb -0.46 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 3hkz s VAL 804 CO 0.38 0.14 0.27 0.29 0.00 0.00 0.00 175.10 176.18 3hkz n LYS 805 N 0.71 0.39 0.00 2.72 4.01 -1.26 -1.52 118.16 123.21 3hkz n LYS 805 Ca -0.12 -2.58 0.00 0.00 -0.51 0.00 0.00 58.31 55.10 3hkz n LYS 805 Cb 0.52 2.20 0.00 0.00 -0.51 0.00 0.00 35.03 37.24 3hkz n LYS 805 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hkz n GLY 806 N -0.50 0.38 1.59 0.72 0.00 -0.87 -2.30 105.19 104.21 3hkz n GLY 806 Ca 0.05 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3hkz n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkz n GLY 807 N 0.00 3.21 3.70 -0.02 0.00 -1.26 -4.28 105.19 106.53 3hkz n GLY 807 Ca 0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 3hkz n GLY 807 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkz s ASP 808 N 0.63 3.38 -0.33 1.61 1.11 -0.97 -4.60 116.67 117.49 3hkz s ASP 808 Ca 0.19 2.19 -0.19 0.00 0.18 0.00 0.00 52.55 54.91 3hkz s ASP 808 Cb 0.15 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.57 3hkz s ASP 808 CO 0.01 -2.80 0.58 -0.69 1.18 0.00 0.00 175.17 173.45 3hkz s VAL 809 N -2.53 4.96 -0.15 -1.27 1.01 -1.26 -1.03 120.40 120.13 3hkz s VAL 809 Ca 0.68 0.59 -0.23 0.00 0.00 0.00 0.00 61.98 63.02 3hkz s VAL 809 Cb -0.24 -3.99 -0.24 0.00 0.00 0.00 0.00 36.38 31.91 3hkz s VAL 809 CO 0.55 -0.20 0.54 -0.07 0.00 0.00 0.00 175.10 175.91 3hkz h LEU 810 N 9.17 0.12 -8.09 3.92 3.38 -1.46 -3.42 115.31 118.93 3hkz h LEU 810 Ca -0.27 -0.79 -0.47 0.00 0.09 0.00 0.00 57.88 56.44 3hkz h LEU 810 Cb 1.12 -0.04 -0.30 0.00 0.09 0.00 0.00 40.66 41.53 3hkz h LEU 810 CO 0.79 1.34 -0.80 -0.63 0.09 0.00 0.00 178.44 179.23 3hkz s ILE 811 N -2.34 1.00 -0.34 1.22 1.01 -0.46 -2.70 121.20 118.58 3hkz s ILE 811 Ca -0.22 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 3hkz s ILE 811 Cb 0.02 -0.86 0.03 0.00 0.01 0.00 0.00 42.46 41.66 3hkz s ILE 811 CO 0.68 0.29 0.13 -0.83 0.00 0.00 0.00 174.94 175.22 3hkz s GLY 812 N -0.02 1.86 0.00 6.18 0.00 0.12 0.77 107.32 116.23 3hkz s GLY 812 Ca -0.00 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.02 3hkz s GLY 812 CO 0.00 0.78 0.00 0.28 0.00 0.00 0.00 173.10 174.16 3hkz n LYS 813 N 4.88 1.98 -3.64 2.90 5.02 -1.26 -2.97 118.16 125.06 3hkz n LYS 813 Ca -0.12 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.12 3hkz n LYS 813 Cb 0.45 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.40 3hkz n LYS 813 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hkz s VAL 814 N -0.85 0.00 0.16 -0.18 1.01 -0.89 -4.07 120.40 115.57 3hkz s VAL 814 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3hkz s VAL 814 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3hkz s VAL 814 CO 0.00 0.00 -0.09 -0.94 0.00 0.00 0.00 175.10 174.07 3hkz s SER 815 N 0.38 4.34 -0.01 3.32 1.04 -0.43 -3.35 113.70 118.98 3hkz s SER 815 Ca 0.02 -0.51 -0.14 0.00 0.48 0.00 0.00 55.95 55.80 3hkz s SER 815 Cb -0.04 -0.78 -0.06 0.00 0.10 0.00 0.00 66.02 65.24 3hkz s SER 815 CO -0.12 0.12 0.39 -2.16 0.98 0.00 0.00 173.24 172.45 3hkz s PRO 816 N -2.67 3.89 0.31 4.02 0.04 -1.26 -0.97 135.00 138.36 3hkz s PRO 816 Ca 0.24 0.38 -0.01 0.00 0.04 0.00 0.00 61.00 61.65 3hkz s PRO 816 Cb -0.09 -3.22 0.06 0.00 0.04 0.00 0.00 34.50 31.29 3hkz s PRO 816 CO 0.15 0.69 0.43 -0.35 0.04 0.00 0.00 177.00 177.96 3hkz n PRO 817 N 1.86 0.24 -2.68 0.56 -0.04 -1.26 -4.95 135.00 128.73 3hkz n PRO 817 Ca -0.14 -1.10 -0.05 0.00 -0.04 0.00 0.00 63.50 62.17 3hkz n PRO 817 Cb 0.52 -0.30 0.09 0.00 -0.04 0.00 0.00 33.50 33.77 3hkz n PRO 817 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3hkz n ARG 818 N -1.80 0.26 -0.22 0.54 0.63 -1.26 -5.07 116.66 109.75 3hkz n ARG 818 Ca 0.07 -0.90 0.10 0.00 -0.92 0.00 0.00 57.85 56.20 3hkz n ARG 818 Cb 0.24 -0.40 0.21 0.00 0.45 0.00 0.00 32.46 32.97 3hkz n ARG 818 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hkz n ALA 831 N 1.15 2.35 -3.43 5.13 0.00 0.35 -5.30 120.51 120.75 3hkz n ALA 831 Ca 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 53.44 52.24 3hkz n ALA 831 Cb 0.71 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 3hkz n ALA 831 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hkz s LYS 832 N -1.18 0.28 0.19 0.00 1.02 -1.26 -4.37 119.74 114.42 3hkz s LYS 832 Ca 0.36 0.46 -0.08 0.00 0.02 0.00 0.00 55.97 56.73 3hkz s LYS 832 Cb 0.20 -0.66 -0.07 0.00 -0.52 0.00 0.00 37.83 36.79 3hkz s LYS 832 CO 0.27 -0.60 0.48 0.50 -0.92 0.00 0.00 175.35 175.07 3hkz s ARG 833 N 2.47 3.72 0.02 1.68 3.52 -0.15 -3.09 118.95 127.12 3hkz s ARG 833 Ca 0.09 0.12 -0.22 0.00 -0.13 0.00 0.00 55.73 55.59 3hkz s ARG 833 Cb -0.15 -2.73 -0.17 0.00 -1.56 0.00 0.00 34.95 30.34 3hkz s ARG 833 CO -0.14 0.38 1.29 0.22 -0.81 0.00 0.00 175.30 176.24 3hkz h ASP 834 N 2.66 0.29 0.00 -2.12 3.58 -1.86 -1.15 116.42 117.81 3hkz h ASP 834 Ca -0.46 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.47 3hkz h ASP 834 Cb 1.17 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.14 3hkz h ASP 834 CO 0.71 0.75 0.00 0.41 -2.88 0.00 0.00 179.24 178.22 3hkz n THR 835 N -4.61 0.00 -1.50 2.25 -1.04 -1.26 -3.50 114.28 104.62 3hkz n THR 835 Ca -0.07 0.00 -0.50 0.00 -2.04 0.00 0.00 64.05 61.44 3hkz n THR 835 Cb 0.36 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.83 3hkz n THR 835 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hkz n SER 836 N 0.14 0.20 -4.63 8.00 3.41 -1.26 -4.80 113.62 114.68 3hkz n SER 836 Ca 0.00 1.15 -0.43 0.00 -0.26 0.00 0.00 58.87 59.33 3hkz n SER 836 Cb 0.00 -1.08 -0.02 0.00 -0.26 0.00 0.00 64.21 62.85 3hkz n SER 836 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hkz s ILE 837 N -0.55 4.20 0.39 -1.33 -1.09 0.23 -4.85 121.20 118.19 3hkz s ILE 837 Ca 0.71 1.34 0.02 0.00 -2.23 0.00 0.00 60.65 60.50 3hkz s ILE 837 Cb -0.94 -4.23 -0.01 0.00 -1.58 0.00 0.00 42.46 35.70 3hkz s ILE 837 CO 0.55 -0.52 0.57 -0.69 -1.23 0.00 0.00 174.94 173.63 3hkz s VAL 838 N 4.30 4.29 0.02 2.92 1.01 -1.26 -1.20 120.40 130.48 3hkz s VAL 838 Ca 0.54 -0.67 -0.27 0.00 0.00 0.00 0.00 61.98 61.58 3hkz s VAL 838 Cb -0.15 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3hkz s VAL 838 CO 0.23 -0.32 0.86 -0.89 0.00 0.00 0.00 175.10 174.98 3hkz s THR 839 N -2.37 4.78 0.28 3.92 2.01 -0.19 -4.77 115.64 119.29 3hkz s THR 839 Ca 0.45 1.82 -0.27 0.00 0.31 0.00 0.00 61.69 64.01 3hkz s THR 839 Cb -0.10 -4.21 -0.15 0.00 0.01 0.00 0.00 72.50 68.05 3hkz s THR 839 CO 0.35 0.27 0.63 0.54 -0.69 0.00 0.00 174.62 175.72 3hkz n ARG 840 N 3.32 0.48 -0.27 4.92 5.12 -1.26 -4.21 116.66 124.76 3hkz n ARG 840 Ca 0.01 0.17 0.25 0.00 -1.93 0.00 0.00 57.85 56.36 3hkz n ARG 840 Cb 0.50 -1.32 0.60 0.00 -1.16 0.00 0.00 32.46 31.08 3hkz n ARG 840 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3hkz h HIS 841 N 1.20 0.36 0.00 -1.55 -0.00 -1.79 -2.58 115.15 110.78 3hkz h HIS 841 Ca -0.34 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 3hkz h HIS 841 Cb 1.40 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 3hkz h HIS 841 CO 0.42 0.06 -1.03 0.41 -0.00 0.00 0.00 177.93 177.78 3hkz n GLY 842 N -1.59 -0.45 3.82 5.26 0.00 -1.26 -4.67 105.19 106.29 3hkz n GLY 842 Ca 0.22 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 3hkz n GLY 842 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkz s GLU 843 N -2.58 2.92 0.25 1.61 2.02 -0.97 -4.86 118.70 117.09 3hkz s GLU 843 Ca 0.01 0.98 -0.03 0.00 0.02 0.00 0.00 54.97 55.96 3hkz s GLU 843 Cb 0.10 -1.99 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 3hkz s GLU 843 CO 0.59 -1.11 0.29 0.00 0.02 0.00 0.00 175.26 175.05 3hkz s MET 844 N -4.98 1.48 0.00 1.61 0.23 -1.26 -2.06 119.30 114.33 3hkz s MET 844 Ca 0.59 -1.62 0.00 0.00 -1.03 0.00 0.00 55.69 53.62 3hkz s MET 844 Cb -0.14 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.51 3hkz s MET 844 CO 0.54 -0.56 0.00 0.41 -2.03 0.00 0.00 175.02 173.38 3hkz n GLY 845 N -0.40 3.98 3.69 3.16 0.00 -0.57 -4.83 105.19 110.22 3hkz n GLY 845 Ca 0.02 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 3hkz n GLY 845 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 846 N -2.13 4.24 -0.08 -0.61 1.09 0.34 -1.84 121.20 122.22 3hkz s ILE 846 Ca 0.00 1.57 -0.30 0.00 -1.10 0.00 0.00 60.65 60.82 3hkz s ILE 846 Cb 0.00 -4.01 -0.08 0.00 -1.06 0.00 0.00 42.46 37.31 3hkz s ILE 846 CO 0.00 0.01 2.07 0.52 -0.10 0.00 0.00 174.94 177.44 3hkz n VAL 847 N 4.56 0.58 -0.12 2.92 0.31 -0.80 -0.16 118.33 125.62 3hkz n VAL 847 Ca 0.11 -0.27 -0.18 0.00 -0.01 0.00 0.00 64.34 63.99 3hkz n VAL 847 Cb 0.46 -2.37 -0.12 0.00 -0.91 0.00 0.00 33.84 30.90 3hkz n VAL 847 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hkz n ASP 848 N 9.15 1.99 -3.70 4.52 4.64 -0.23 -2.11 116.55 130.81 3hkz n ASP 848 Ca 0.25 -0.11 -0.13 0.00 -1.38 0.00 0.00 54.79 53.42 3hkz n ASP 848 Cb 0.41 -0.45 -0.09 0.00 -1.04 0.00 0.00 41.12 39.94 3hkz n ASP 848 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3hkz s LEU 849 N -6.57 0.07 0.09 -2.67 2.96 -0.88 -4.74 118.68 106.93 3hkz s LEU 849 Ca -0.34 0.98 0.09 0.00 -0.22 0.00 0.00 54.13 54.64 3hkz s LEU 849 Cb 0.09 1.64 -0.03 0.00 0.50 0.00 0.00 46.19 48.38 3hkz s LEU 849 CO 0.61 -0.17 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.55 3hkz s VAL 850 N 0.51 1.91 -0.17 1.68 1.01 -1.26 0.00 120.40 124.07 3hkz s VAL 850 Ca -0.02 -1.50 -0.12 0.00 0.00 0.00 0.00 61.98 60.34 3hkz s VAL 850 Cb -0.04 -1.69 0.05 0.00 0.00 0.00 0.00 36.38 34.70 3hkz s VAL 850 CO -0.03 0.11 0.44 -0.22 0.00 0.00 0.00 175.10 175.40 3hkz s LEU 851 N -1.67 0.02 -0.12 3.92 0.20 -0.99 -5.01 118.68 115.03 3hkz s LEU 851 Ca 0.09 0.93 0.02 0.00 0.69 0.00 0.00 54.13 55.87 3hkz s LEU 851 Cb -0.10 1.48 0.01 0.00 -0.43 0.00 0.00 46.19 47.15 3hkz s LEU 851 CO 0.04 -0.18 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.10 3hkz s ILE 852 N 0.94 1.76 0.00 6.68 1.09 -1.26 -1.79 121.20 128.61 3hkz s ILE 852 Ca -0.06 -0.81 0.00 0.00 -1.10 0.00 0.00 60.65 58.69 3hkz s ILE 852 Cb -0.06 -1.57 0.00 0.00 -1.06 0.00 0.00 42.46 39.77 3hkz s ILE 852 CO -0.08 0.49 0.00 0.41 -0.10 0.00 0.00 174.94 175.66 3hkz n THR 853 N 4.04 0.00 -4.37 2.92 -1.04 -0.41 -4.99 114.28 110.43 3hkz n THR 853 Ca -0.20 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.60 3hkz n THR 853 Cb 0.52 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.89 3hkz n THR 853 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3hkz s GLU 854 N -0.34 1.02 0.66 -2.82 2.02 -1.20 0.14 118.70 118.18 3hkz s GLU 854 Ca 0.00 -0.86 -0.16 0.00 0.02 0.00 0.00 54.97 53.97 3hkz s GLU 854 Cb 0.00 -1.07 0.00 0.00 0.10 0.00 0.00 34.13 33.16 3hkz s GLU 854 CO 0.00 0.26 1.16 0.95 0.02 0.00 0.00 175.26 177.66 3hkz s THR 855 N -0.94 2.78 0.25 3.63 -4.23 -1.13 -4.79 115.64 111.21 3hkz s THR 855 Ca 0.03 0.40 0.13 0.00 -1.18 0.00 0.00 61.69 61.07 3hkz s THR 855 Cb -0.09 -2.98 0.24 0.00 1.34 0.00 0.00 72.50 71.01 3hkz s THR 855 CO 0.02 -0.19 1.08 0.00 -0.54 0.00 0.00 174.62 174.99 3hkz n ALA 856 N -2.29 0.68 -0.15 3.99 0.00 -1.26 0.12 120.51 121.59 3hkz n ALA 856 Ca 0.12 0.70 -0.03 0.00 0.00 0.00 0.00 53.44 54.23 3hkz n ALA 856 Cb 0.51 -0.69 0.06 0.00 0.00 0.00 0.00 19.45 19.33 3hkz n ALA 856 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hkz h GLU 857 N 0.00 0.29 0.00 0.00 4.39 -2.00 -3.47 114.58 113.80 3hkz h GLU 857 Ca 0.57 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.25 3hkz h GLU 857 Cb 1.49 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 3hkz h GLU 857 CO -0.53 0.19 0.00 0.41 -1.16 0.00 0.00 179.01 177.92 3hkz n GLY 858 N -1.26 0.40 3.91 -3.84 0.00 0.31 -5.15 105.19 99.56 3hkz n GLY 858 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3hkz n GLY 858 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hkz s ASN 859 N -0.92 6.43 -0.77 1.61 0.01 -1.26 -4.80 114.94 115.25 3hkz s ASN 859 Ca 0.00 0.59 -0.23 0.00 -0.71 0.00 0.00 52.86 52.51 3hkz s ASN 859 Cb 0.00 -2.09 -0.17 0.00 0.41 0.00 0.00 41.25 39.40 3hkz s ASN 859 CO 0.00 -0.12 1.90 0.29 -1.51 0.00 0.00 177.10 177.66 3hkz n LYS 860 N -0.74 1.37 -2.07 -0.60 5.02 -1.25 -2.86 118.16 117.04 3hkz n LYS 860 Ca -0.03 -1.86 -0.42 0.00 -2.02 0.00 0.00 58.31 53.98 3hkz n LYS 860 Cb 0.54 -3.01 -0.03 0.00 -0.02 0.00 0.00 35.03 32.51 3hkz n LYS 860 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3hkz s LEU 861 N 2.69 4.32 -0.06 -0.35 2.96 0.37 -4.34 118.68 124.27 3hkz s LEU 861 Ca 0.60 2.22 0.05 0.00 -0.22 0.00 0.00 54.13 56.78 3hkz s LEU 861 Cb 0.12 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.26 3hkz s LEU 861 CO 0.14 -0.86 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.41 3hkz s VAL 862 N 3.38 1.77 0.11 1.68 1.01 -1.06 -1.28 120.40 126.00 3hkz s VAL 862 Ca 0.70 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3hkz s VAL 862 Cb -0.33 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3hkz s VAL 862 CO 0.28 0.50 -0.05 -0.54 0.00 0.00 0.00 175.10 175.29 3hkz s LYS 863 N 0.03 2.30 -0.05 2.72 1.02 -0.74 -3.00 119.74 122.01 3hkz s LYS 863 Ca -0.06 -0.99 0.03 0.00 0.02 0.00 0.00 55.97 54.97 3hkz s LYS 863 Cb -0.14 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 3hkz s LYS 863 CO 0.04 0.51 -0.13 0.08 -0.92 0.00 0.00 175.35 174.92 3hkz s VAL 864 N -1.35 1.19 0.06 3.17 1.01 0.85 -2.35 120.40 122.98 3hkz s VAL 864 Ca 0.24 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3hkz s VAL 864 Cb -0.11 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3hkz s VAL 864 CO 0.16 0.36 -0.04 -0.60 0.00 0.00 0.00 175.10 174.98 3hkz s ARG 865 N 0.40 2.47 -0.36 2.72 3.52 0.10 -0.41 118.95 127.40 3hkz s ARG 865 Ca -0.10 -0.83 0.00 0.00 -0.13 0.00 0.00 55.73 54.67 3hkz s ARG 865 Cb -0.13 -2.49 0.11 0.00 -1.56 0.00 0.00 34.95 30.88 3hkz s ARG 865 CO 0.03 0.56 0.15 0.08 -0.81 0.00 0.00 175.30 175.31 3hkz s VAL 866 N -1.19 1.00 0.44 7.11 1.01 -0.30 -1.06 120.40 127.40 3hkz s VAL 866 Ca 0.22 -1.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.17 3hkz s VAL 866 Cb -0.11 -1.73 -0.11 0.00 0.00 0.00 0.00 36.38 34.42 3hkz s VAL 866 CO 0.14 -0.77 0.67 -1.14 0.00 0.00 0.00 175.10 174.00 3hkz n ARG 867 N 4.35 0.76 -3.15 2.72 0.63 0.77 -3.66 116.66 119.08 3hkz n ARG 867 Ca 0.03 0.28 0.04 0.00 -0.92 0.00 0.00 57.85 57.27 3hkz n ARG 867 Cb 0.39 -1.68 -0.01 0.00 0.45 0.00 0.00 32.46 31.61 3hkz n ARG 867 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3hkz s ASP 868 N -0.93 -1.41 -0.46 6.15 2.15 -0.90 -0.50 116.67 120.77 3hkz s ASP 868 Ca 0.64 0.68 -0.32 0.00 0.43 0.00 0.00 52.55 53.99 3hkz s ASP 868 Cb -0.57 2.11 -0.11 0.00 -0.30 0.00 0.00 42.92 44.05 3hkz s ASP 868 CO 0.57 -0.27 2.32 0.18 -0.17 0.00 0.00 175.17 177.79 3hkz n LEU 869 N 5.43 2.04 -4.17 -1.34 4.77 -1.26 -2.06 117.00 120.40 3hkz n LEU 869 Ca 0.01 0.15 -0.38 0.00 -0.03 0.00 0.00 56.01 55.75 3hkz n LEU 869 Cb 0.52 -1.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.24 3hkz n LEU 869 CO 0.01 -0.92 0.44 -0.13 -1.33 0.00 0.00 177.39 175.46 3hkz s ARG 870 N 7.09 3.49 0.25 3.23 0.52 -1.23 -4.99 118.95 127.31 3hkz s ARG 870 Ca 1.10 -3.23 -0.30 0.00 -0.52 0.00 0.00 55.73 52.78 3hkz s ARG 870 Cb -0.70 -4.10 -0.10 0.00 0.52 0.00 0.00 34.95 30.57 3hkz s ARG 870 CO 0.42 -1.26 1.33 0.42 0.02 0.00 0.00 175.30 176.24 3hkz s ILE 871 N -1.27 2.95 -0.46 1.52 1.01 -1.26 -2.01 121.20 121.67 3hkz s ILE 871 Ca 0.28 0.83 -0.27 0.00 0.00 0.00 0.00 60.65 61.49 3hkz s ILE 871 Cb -0.08 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 3hkz s ILE 871 CO -0.11 0.15 2.39 -0.81 0.00 0.00 0.00 174.94 176.56 3hkz n PRO 872 N 2.00 1.15 -3.12 2.79 -0.04 -1.26 -4.95 135.00 131.57 3hkz n PRO 872 Ca 0.04 0.13 -0.21 0.00 -0.04 0.00 0.00 63.50 63.42 3hkz n PRO 872 Cb 0.42 -3.19 0.01 0.00 -0.04 0.00 0.00 33.50 30.70 3hkz n PRO 872 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hkz s THR 873 N 10.86 3.76 -0.19 0.52 2.01 -1.26 -5.02 115.64 126.32 3hkz s THR 873 Ca 1.03 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 3hkz s THR 873 Cb -0.34 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 3hkz s THR 873 CO 0.31 -0.19 2.01 -0.63 -0.69 0.00 0.00 174.62 175.43 3hkz s ILE 874 N -2.43 3.20 0.00 1.82 1.09 -1.26 -3.06 121.20 120.56 3hkz s ILE 874 Ca 0.49 0.21 0.00 0.00 -1.10 0.00 0.00 60.65 60.25 3hkz s ILE 874 Cb -0.10 -3.23 0.00 0.00 -1.06 0.00 0.00 42.46 38.07 3hkz s ILE 874 CO 0.35 -0.12 0.00 0.61 -0.10 0.00 0.00 174.94 175.68 3hkz n GLY 875 N 5.31 0.73 3.84 6.18 0.00 -0.88 -4.95 105.19 115.42 3hkz n GLY 875 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 3hkz n GLY 875 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkz s ASP 876 N -1.17 6.52 0.14 1.61 1.01 -1.17 -3.90 116.67 119.71 3hkz s ASP 876 Ca 0.00 0.62 -0.30 0.00 0.71 0.00 0.00 52.55 53.58 3hkz s ASP 876 Cb 0.00 -2.14 -0.07 0.00 1.01 0.00 0.00 42.92 41.72 3hkz s ASP 876 CO 0.00 0.33 1.01 -0.75 0.21 0.00 0.00 175.17 175.96 3hkz s LYS 877 N -0.75 4.67 0.04 8.23 2.20 -1.03 -1.36 119.74 131.75 3hkz s LYS 877 Ca 0.18 1.54 0.02 0.00 -0.36 0.00 0.00 55.97 57.35 3hkz s LYS 877 Cb -0.14 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 3hkz s LYS 877 CO 0.07 0.18 -0.08 -0.06 -0.36 0.00 0.00 175.35 175.10 3hkz s PHE 878 N -0.14 0.66 -0.02 4.03 0.40 -0.87 -2.14 117.98 119.91 3hkz s PHE 878 Ca 0.47 -0.50 -0.09 0.00 -0.60 0.00 0.00 56.93 56.22 3hkz s PHE 878 Cb -0.25 -0.40 0.01 0.00 0.51 0.00 0.00 43.02 42.89 3hkz s PHE 878 CO 0.31 -0.09 0.18 0.00 0.70 0.00 0.00 175.22 176.33 3hkz s ALA 879 N -1.40 -0.45 0.76 5.36 0.00 -0.47 -2.96 121.76 122.61 3hkz s ALA 879 Ca -0.10 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 3hkz s ALA 879 Cb -0.10 -0.00 0.14 0.00 0.00 0.00 0.00 23.12 23.16 3hkz s ALA 879 CO 0.00 -0.19 1.05 -1.54 0.00 0.00 0.00 175.76 175.09 3hkz s SER 880 N -1.02 4.14 0.00 0.00 1.04 -1.16 -0.33 113.70 116.37 3hkz s SER 880 Ca -0.11 -0.23 0.29 0.00 0.48 0.00 0.00 55.95 56.38 3hkz s SER 880 Cb -0.06 -0.10 1.29 0.00 0.10 0.00 0.00 66.02 67.26 3hkz s SER 880 CO 0.02 -2.01 1.90 0.54 0.98 0.00 0.00 173.24 174.66 3hkz n ARG 881 N -3.00 0.67 -0.40 4.02 1.74 -1.26 -3.64 116.66 114.77 3hkz n ARG 881 Ca 0.15 -0.19 0.08 0.00 -0.77 0.00 0.00 57.85 57.12 3hkz n ARG 881 Cb 0.60 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.79 3hkz n ARG 881 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hkz n HIS 882 N -1.00 0.82 -1.78 -1.55 8.25 -1.26 -4.77 115.22 113.93 3hkz n HIS 882 Ca 0.15 -0.92 0.00 0.00 -0.26 0.00 0.00 57.72 56.69 3hkz n HIS 882 Cb 0.27 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.08 3hkz n HIS 882 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hkz n GLY 883 N -0.66 0.89 3.37 -1.41 0.00 -1.24 -4.73 105.19 101.42 3hkz n GLY 883 Ca 0.21 -0.58 -0.46 0.00 0.00 0.00 0.00 46.02 45.19 3hkz n GLY 883 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hkz s GLN 884 N -3.65 3.53 0.82 1.61 2.00 -1.26 -4.95 119.66 117.76 3hkz s GLN 884 Ca 0.00 -2.15 -0.12 0.00 -2.00 0.00 0.00 55.36 51.10 3hkz s GLN 884 Cb 0.00 -4.54 0.09 0.00 0.80 0.00 0.00 33.01 29.35 3hkz s GLN 884 CO 0.00 -1.44 1.14 0.15 -0.50 0.00 0.00 175.29 174.63 3hkz s LYS 885 N 1.12 1.86 0.00 1.67 1.02 -1.26 -2.96 119.74 121.19 3hkz s LYS 885 Ca 0.21 0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.51 3hkz s LYS 885 Cb -0.11 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 3hkz s LYS 885 CO -0.07 -1.71 0.00 0.41 -0.92 0.00 0.00 175.35 173.06 3hkz n GLY 886 N -2.71 4.48 3.80 -3.33 0.00 -1.16 -4.12 105.19 102.15 3hkz n GLY 886 Ca 0.07 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 3hkz n GLY 886 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkz s VAL 887 N -0.70 4.61 -0.69 1.61 1.01 -1.26 -2.04 120.40 122.93 3hkz s VAL 887 Ca 0.00 1.38 -0.29 0.00 0.00 0.00 0.00 61.98 63.07 3hkz s VAL 887 Cb 0.00 -3.98 -0.14 0.00 0.00 0.00 0.00 36.38 32.27 3hkz s VAL 887 CO 0.00 0.53 2.52 -0.38 0.00 0.00 0.00 175.10 177.77 3hkz n ILE 888 N 1.63 -0.03 0.04 2.22 5.41 -0.46 -2.83 119.36 125.33 3hkz n ILE 888 Ca -0.08 -0.42 -0.13 0.00 1.00 0.00 0.00 62.75 63.12 3hkz n ILE 888 Cb 0.50 -1.73 -0.09 0.00 -0.71 0.00 0.00 39.64 37.61 3hkz n ILE 888 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3hkz h GLY 889 N 15.79 -0.13 -5.03 7.39 0.00 0.18 -2.35 103.07 118.93 3hkz h GLY 889 Ca -0.16 0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 3hkz h GLY 889 CO 1.24 -0.05 -0.43 -0.29 0.00 0.00 0.00 176.54 177.01 3hkz s MET 890 N -4.26 0.40 -0.49 4.80 -2.45 -1.25 -4.89 119.30 111.16 3hkz s MET 890 Ca -0.15 -0.00 -0.18 0.00 -1.25 0.00 0.00 55.69 54.11 3hkz s MET 890 Cb 0.02 0.18 0.07 0.00 1.25 0.00 0.00 34.83 36.34 3hkz s MET 890 CO 0.61 -0.08 0.53 -1.17 1.05 0.00 0.00 175.02 175.96 3hkz s LEU 891 N -0.61 5.27 -0.22 4.11 2.96 -1.25 -2.60 118.68 126.34 3hkz s LEU 891 Ca -0.07 -1.11 -0.01 0.00 -0.22 0.00 0.00 54.13 52.72 3hkz s LEU 891 Cb -0.04 -2.33 0.02 0.00 0.50 0.00 0.00 46.19 44.34 3hkz s LEU 891 CO 0.01 -0.79 -0.11 -0.63 -1.32 0.00 0.00 176.35 173.51 3hkz s ILE 892 N 2.20 2.61 0.81 6.68 1.01 -0.78 -4.47 121.20 129.25 3hkz s ILE 892 Ca 0.10 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 3hkz s ILE 892 Cb -0.22 -2.25 0.09 0.00 0.01 0.00 0.00 42.46 40.09 3hkz s ILE 892 CO 0.09 0.33 1.13 -2.16 0.00 0.00 0.00 174.94 174.33 3hkz s PRO 893 N 1.32 1.80 0.63 2.79 0.04 -1.26 -1.65 135.00 138.67 3hkz s PRO 893 Ca 0.02 1.40 0.37 0.00 0.04 0.00 0.00 61.00 62.83 3hkz s PRO 893 Cb -0.15 -1.83 2.02 0.00 0.04 0.00 0.00 34.50 34.58 3hkz s PRO 893 CO -0.07 -2.02 2.13 0.37 0.04 0.00 0.00 177.00 177.45 3hkz h GLN 894 N -1.25 0.00 0.12 4.56 4.15 -1.96 -1.71 115.11 119.02 3hkz h GLN 894 Ca -0.44 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 58.70 3hkz h GLN 894 Cb 1.25 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.96 3hkz h GLN 894 CO 0.47 0.00 -1.21 -0.39 -1.93 0.00 0.00 178.83 175.77 3hkz h VAL 895 N 0.00 1.41 0.00 2.39 -1.51 -1.95 -3.35 116.25 113.24 3hkz h VAL 895 Ca 0.00 -2.76 -0.06 0.00 -1.23 0.00 0.00 66.70 62.65 3hkz h VAL 895 Cb 0.25 2.80 -0.01 0.00 -2.13 0.00 0.00 31.29 32.20 3hkz h VAL 895 CO 0.00 0.82 -0.84 0.44 -1.23 0.00 0.00 177.57 176.76 3hkz h ASP 896 N 0.16 0.00 -3.83 4.19 5.19 -1.58 -3.32 116.42 117.23 3hkz h ASP 896 Ca -0.15 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.70 3hkz h ASP 896 Cb 1.90 0.00 0.15 0.00 0.18 0.00 0.00 39.33 41.56 3hkz h ASP 896 CO 0.21 0.23 0.42 0.23 -3.12 0.00 0.00 179.24 177.22 3hkz n MET 897 N -2.90 1.36 -2.36 3.56 2.81 -1.13 -3.19 117.12 115.26 3hkz n MET 897 Ca -0.01 0.51 -0.43 0.00 -1.81 0.00 0.00 57.70 55.95 3hkz n MET 897 Cb 0.65 -2.41 -0.02 0.00 -0.71 0.00 0.00 33.22 30.73 3hkz n MET 897 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3hkz s PRO 898 N -2.85 3.62 0.01 0.03 0.04 -1.26 -2.86 135.00 131.73 3hkz s PRO 898 Ca 0.74 0.97 -0.07 0.00 0.04 0.00 0.00 61.00 62.68 3hkz s PRO 898 Cb -0.42 -4.01 -0.05 0.00 0.04 0.00 0.00 34.50 30.06 3hkz s PRO 898 CO 0.48 -1.51 0.28 1.52 0.04 0.00 0.00 177.00 177.81 3hkz s TYR 899 N 5.28 3.58 0.60 0.56 -0.85 0.99 -4.53 117.35 122.99 3hkz s TYR 899 Ca 0.60 0.59 -0.11 0.00 -0.52 0.00 0.00 57.07 57.63 3hkz s TYR 899 Cb -0.14 -2.00 -0.04 0.00 0.38 0.00 0.00 41.96 40.16 3hkz s TYR 899 CO 0.31 0.61 1.01 0.95 -1.52 0.00 0.00 175.55 176.91 3hkz s THR 900 N -1.30 4.71 0.45 -3.49 -4.23 -0.56 0.25 115.64 111.48 3hkz s THR 900 Ca 0.28 0.85 0.40 0.00 -1.18 0.00 0.00 61.69 62.04 3hkz s THR 900 Cb -0.13 -3.86 0.59 0.00 1.34 0.00 0.00 72.50 70.43 3hkz s THR 900 CO 0.16 -1.10 1.24 0.55 -0.54 0.00 0.00 174.62 174.93 3hkz n VAL 901 N -2.64 0.00 -3.43 2.29 3.14 -1.20 -2.97 118.33 113.51 3hkz n VAL 901 Ca 0.06 1.19 -0.27 0.00 -2.96 0.00 0.00 64.34 62.36 3hkz n VAL 901 Cb 0.54 -1.98 -0.08 0.00 -1.06 0.00 0.00 33.84 31.26 3hkz n VAL 901 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3hkz n LYS 902 N -3.51 2.08 0.00 1.45 0.00 -1.26 -4.95 118.16 111.97 3hkz n LYS 902 Ca 0.35 -4.36 0.00 0.00 0.00 0.00 0.00 58.31 54.30 3hkz n LYS 902 Cb 1.61 -2.06 0.00 0.00 0.00 0.00 0.00 35.03 34.58 3hkz n LYS 902 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hkz n GLY 903 N 1.11 0.33 3.74 3.14 0.00 -1.16 -4.92 105.19 107.43 3hkz n GLY 903 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 3hkz n GLY 903 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkz s VAL 904 N -0.56 3.76 0.12 1.61 1.01 -1.26 -4.88 120.40 120.19 3hkz s VAL 904 Ca 0.00 1.56 0.06 0.00 0.00 0.00 0.00 61.98 63.60 3hkz s VAL 904 Cb 0.00 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3hkz s VAL 904 CO 0.00 0.29 -0.14 -0.69 0.00 0.00 0.00 175.10 174.55 3hkz s VAL 905 N -0.42 1.34 0.65 2.92 1.01 -1.26 -1.49 120.40 123.15 3hkz s VAL 905 Ca 0.49 -1.67 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 3hkz s VAL 905 Cb -0.30 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3hkz s VAL 905 CO 0.36 -0.38 1.04 -2.16 0.00 0.00 0.00 175.10 173.97 3hkz s PRO 906 N -2.55 3.26 -0.09 2.72 0.05 -1.26 -4.90 135.00 132.23 3hkz s PRO 906 Ca 0.08 0.88 0.19 0.00 0.05 0.00 0.00 61.00 62.20 3hkz s PRO 906 Cb -0.06 -2.03 -0.29 0.00 0.05 0.00 0.00 34.50 32.17 3hkz s PRO 906 CO 0.03 -0.84 0.31 -0.25 0.05 0.00 0.00 177.00 176.30 3hkz n ASP 907 N -2.88 0.29 -3.69 6.66 8.00 0.11 -4.64 116.55 120.40 3hkz n ASP 907 Ca 0.07 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.47 3hkz n ASP 907 Cb 0.54 1.58 -0.10 0.00 -0.02 0.00 0.00 41.12 43.12 3hkz n ASP 907 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hkz s ILE 908 N -3.07 -0.02 -0.35 0.53 1.01 -1.12 -1.81 121.20 116.36 3hkz s ILE 908 Ca -0.08 0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.67 3hkz s ILE 908 Cb 0.10 -0.68 0.10 0.00 0.01 0.00 0.00 42.46 41.99 3hkz s ILE 908 CO 0.83 0.03 0.08 -0.63 0.00 0.00 0.00 174.94 175.24 3hkz s ILE 909 N 1.32 2.03 0.44 2.92 1.01 -1.00 -0.37 121.20 127.56 3hkz s ILE 909 Ca -0.09 -2.25 -0.23 0.00 0.00 0.00 0.00 60.65 58.08 3hkz s ILE 909 Cb -0.07 -2.50 -0.08 0.00 0.01 0.00 0.00 42.46 39.82 3hkz s ILE 909 CO -0.13 -0.63 1.09 -0.22 0.00 0.00 0.00 174.94 175.05 3hkz s LEU 910 N 0.93 4.03 -0.33 2.97 0.20 -1.09 -3.60 118.68 121.79 3hkz s LEU 910 Ca 0.11 2.11 -0.21 0.00 0.69 0.00 0.00 54.13 56.83 3hkz s LEU 910 Cb -0.19 -4.29 -0.00 0.00 -0.43 0.00 0.00 46.19 41.28 3hkz s LEU 910 CO -0.10 -0.71 0.69 0.21 -0.29 0.00 0.00 176.35 176.15 3hkz s ASN 911 N -1.58 6.52 0.48 3.68 2.47 -1.26 -2.62 114.94 122.64 3hkz s ASN 911 Ca 0.62 0.39 0.09 0.00 0.42 0.00 0.00 52.86 54.38 3hkz s ASN 911 Cb -0.23 -2.36 0.50 0.00 -1.45 0.00 0.00 41.25 37.71 3hkz s ASN 911 CO 0.28 -0.58 1.18 -0.65 -3.72 0.00 0.00 177.10 173.62 3hkz h PRO 912 N 8.29 0.00 0.00 0.43 0.11 -1.87 0.27 132.00 139.23 3hkz h PRO 912 Ca -0.26 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 3hkz h PRO 912 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3hkz h PRO 912 CO 0.85 0.00 -0.29 0.45 -0.21 0.00 0.00 178.00 178.79 3hkz h HIS 913 N 0.00 0.00 0.00 0.65 3.86 -1.94 -2.74 115.15 114.98 3hkz h HIS 913 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3hkz h HIS 913 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 3hkz h HIS 913 CO 0.00 0.29 0.00 0.00 0.86 0.00 0.00 177.93 179.08 3hkz n ALA 914 N -2.36 2.14 -1.00 2.45 0.00 0.94 -4.45 120.51 118.22 3hkz n ALA 914 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3hkz n ALA 914 Cb 0.38 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3hkz n ALA 914 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hkz n LEU 915 N -1.49 1.84 -0.06 0.00 4.32 -1.03 -3.99 117.00 116.59 3hkz n LEU 915 Ca 0.06 0.09 0.08 0.00 -0.02 0.00 0.00 56.01 56.23 3hkz n LEU 915 Cb 0.29 0.00 0.45 0.00 -1.62 0.00 0.00 43.42 42.54 3hkz n LEU 915 CO 0.23 0.00 1.18 1.55 -1.22 0.00 0.00 177.39 179.13 3hkz h PRO 916 N 0.00 0.49 -0.33 3.23 0.13 -1.78 0.96 132.00 134.70 3hkz h PRO 916 Ca 0.00 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.12 3hkz h PRO 916 Cb 0.00 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.00 3hkz h PRO 916 CO 0.00 0.32 0.22 0.66 -0.23 0.00 0.00 178.00 178.97 3hkz h SER 917 N 0.50 0.34 -0.38 1.44 4.64 -1.82 -2.51 113.55 115.76 3hkz h SER 917 Ca 0.23 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3hkz h SER 917 Cb 0.26 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3hkz h SER 917 CO -0.06 0.24 0.00 0.54 -0.87 0.00 0.00 176.83 176.68 3hkz n ARG 918 N -4.49 2.37 -3.80 4.77 5.12 0.29 -5.00 116.66 115.92 3hkz n ARG 918 Ca 0.02 -2.11 -0.21 0.00 -1.93 0.00 0.00 57.85 53.63 3hkz n ARG 918 Cb 0.11 -1.39 -0.00 0.00 -1.16 0.00 0.00 32.46 30.01 3hkz n ARG 918 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3hkz n MET 919 N 1.05 -0.71 -3.86 5.56 2.81 -0.95 -4.49 117.12 116.54 3hkz n MET 919 Ca 0.16 -0.20 -0.32 0.00 -1.81 0.00 0.00 57.70 55.53 3hkz n MET 919 Cb 0.50 -0.86 -0.12 0.00 -0.71 0.00 0.00 33.22 32.03 3hkz n MET 919 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3hkz s THR 920 N -4.18 3.08 0.00 2.03 -4.23 -1.26 -1.78 115.64 109.30 3hkz s THR 920 Ca 0.19 -3.52 0.00 0.00 -1.18 0.00 0.00 61.69 57.19 3hkz s THR 920 Cb -0.11 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.68 3hkz s THR 920 CO 0.47 -0.89 0.00 0.18 -0.54 0.00 0.00 174.62 173.84 3hkz n LEU 921 N 2.86 0.00 0.00 4.79 7.99 -0.93 -4.10 117.00 127.60 3hkz n LEU 921 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 3hkz n LEU 921 Cb 0.34 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.65 3hkz n LEU 921 CO 0.33 -0.37 0.00 0.61 -1.51 0.00 0.00 177.39 176.45 3hkz n GLY 922 N 1.91 1.42 0.16 -0.72 0.00 -1.26 -4.33 105.19 102.37 3hkz n GLY 922 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3hkz n GLY 922 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hkz h GLN 923 N 0.41 0.55 -0.70 1.61 4.15 -1.91 3.30 115.11 122.53 3hkz h GLN 923 Ca 0.00 -0.67 -0.01 0.00 0.77 0.00 0.00 58.65 58.74 3hkz h GLN 923 Cb 0.00 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 3hkz h GLN 923 CO 0.00 1.28 0.40 0.82 -1.93 0.00 0.00 178.83 179.40 3hkz h ILE 924 N 0.12 1.21 -0.11 2.39 1.08 -1.81 -1.66 117.51 118.73 3hkz h ILE 924 Ca -0.14 -0.50 -0.03 0.00 -0.39 0.00 0.00 64.86 63.80 3hkz h ILE 924 Cb 1.67 0.27 -0.00 0.00 -3.07 0.00 0.00 36.82 35.69 3hkz h ILE 924 CO 0.19 0.22 -0.07 0.24 -0.69 0.00 0.00 178.15 178.04 3hkz h MET 925 N 0.95 0.24 -0.99 2.37 2.86 -1.82 -1.10 114.93 117.44 3hkz h MET 925 Ca 0.25 -0.11 0.13 0.00 -2.06 0.00 0.00 59.70 57.90 3hkz h MET 925 Cb 0.01 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.58 3hkz h MET 925 CO -0.04 0.61 0.62 1.49 1.06 0.00 0.00 176.91 180.65 3hkz h GLU 926 N -0.13 0.92 -0.07 1.72 4.81 0.62 0.41 114.58 122.86 3hkz h GLU 926 Ca 0.02 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 58.96 3hkz h GLU 926 Cb 0.54 -0.21 0.02 0.00 0.63 0.00 0.00 28.75 29.73 3hkz h GLU 926 CO 0.02 0.61 -0.87 0.78 -0.73 0.00 0.00 179.01 178.81 3hkz h GLY 927 N 0.95 0.79 0.91 1.92 0.00 -1.18 0.61 103.07 107.06 3hkz h GLY 927 Ca 0.50 -1.25 -0.06 0.00 0.00 0.00 0.00 47.33 46.52 3hkz h GLY 927 CO -0.26 1.11 -0.00 -2.22 0.00 0.00 0.00 176.54 175.17 3hkz h ILE 928 N 0.40 1.26 -0.49 2.60 2.04 -0.81 0.26 117.51 122.77 3hkz h ILE 928 Ca -0.09 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 64.86 3hkz h ILE 928 Cb 1.52 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 3hkz h ILE 928 CO 0.18 0.32 0.18 0.00 0.00 0.00 0.00 178.15 178.83 3hkz h ALA 929 N 0.85 0.60 -0.63 1.87 0.00 -0.14 -0.92 119.26 120.90 3hkz h ALA 929 Ca 0.10 0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.24 3hkz h ALA 929 Cb 0.46 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3hkz h ALA 929 CO 0.02 -0.20 0.45 0.78 0.00 0.00 0.00 179.25 180.29 3hkz h GLY 930 N 0.37 0.11 0.25 0.00 0.00 0.59 -2.99 103.07 101.40 3hkz h GLY 930 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 3hkz h GLY 930 CO -0.23 0.01 -0.12 1.70 0.00 0.00 0.00 176.54 177.90 3hkz h LYS 931 N 0.06 -0.33 -5.38 4.80 1.63 -0.42 -2.97 116.57 113.97 3hkz h LYS 931 Ca 0.30 0.02 -0.25 0.00 -0.85 0.00 0.00 60.65 59.87 3hkz h LYS 931 Cb 1.12 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.79 3hkz h LYS 931 CO -0.02 -0.22 0.81 -0.47 -3.45 0.00 0.00 179.45 176.10 3hkz s TYR 932 N -2.92 1.76 0.00 1.91 5.04 -1.04 -2.07 117.35 120.03 3hkz s TYR 932 Ca -0.05 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 3hkz s TYR 932 Cb 0.00 -3.83 0.00 0.00 0.35 0.00 0.00 41.96 38.49 3hkz s TYR 932 CO 0.15 -1.06 0.00 0.00 -1.34 0.00 0.00 175.55 173.30 3hkz n ALA 933 N 15.76 0.00 1.01 3.97 0.00 -1.23 -4.61 120.51 135.41 3hkz n ALA 933 Ca 0.44 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.00 3hkz n ALA 933 Cb 0.47 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.16 3hkz n ALA 933 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkz n ALA 934 N -1.68 3.57 -0.12 0.00 0.00 -0.89 -2.81 120.51 118.58 3hkz n ALA 934 Ca 0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.85 3hkz n ALA 934 Cb 0.00 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.26 3hkz n ALA 934 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hkz n LEU 935 N -1.45 1.92 0.07 0.00 4.77 -0.88 -4.66 117.00 116.77 3hkz n LEU 935 Ca 0.06 0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 56.26 3hkz n LEU 935 Cb 0.34 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 3hkz n LEU 935 CO 0.35 0.27 0.10 0.77 -1.33 0.00 0.00 177.39 177.55 3hkz h SER 936 N -1.00 0.64 0.00 -1.43 4.64 -1.80 -3.49 113.55 111.12 3hkz h SER 936 Ca -0.44 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 60.34 3hkz h SER 936 Cb 1.34 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3hkz h SER 936 CO -0.27 1.35 0.00 0.61 -0.87 0.00 0.00 176.83 177.65 3hkz n GLY 937 N 1.09 2.14 3.82 -0.77 0.00 -1.12 -5.01 105.19 105.34 3hkz n GLY 937 Ca -0.09 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 3hkz n GLY 937 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s ASN 938 N -0.06 6.81 -0.48 1.61 4.22 -1.26 -4.95 114.94 120.83 3hkz s ASN 938 Ca 0.00 1.71 -0.22 0.00 -2.14 0.00 0.00 52.86 52.21 3hkz s ASN 938 Cb 0.00 -2.54 0.04 0.00 1.28 0.00 0.00 41.25 40.03 3hkz s ASN 938 CO 0.00 -0.45 0.74 -0.63 -2.04 0.00 0.00 177.10 174.72 3hkz s ILE 939 N -2.22 4.70 0.24 0.54 1.09 -1.26 -4.49 121.20 119.81 3hkz s ILE 939 Ca 0.62 0.07 -0.31 0.00 -1.10 0.00 0.00 60.65 59.93 3hkz s ILE 939 Cb -0.10 -4.33 -0.12 0.00 -1.06 0.00 0.00 42.46 36.85 3hkz s ILE 939 CO 0.16 -0.79 1.67 0.55 -0.10 0.00 0.00 174.94 176.43 3hkz n VAL 940 N 5.94 0.44 -3.32 2.92 3.14 -1.26 -4.85 118.33 121.33 3hkz n VAL 940 Ca -0.01 -0.11 -0.36 0.00 -2.96 0.00 0.00 64.34 60.90 3hkz n VAL 940 Cb 0.47 -1.97 -0.06 0.00 -1.06 0.00 0.00 33.84 31.22 3hkz n VAL 940 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3hkz s ASP 941 N 0.88 6.91 -0.20 6.55 -1.08 -1.26 -2.71 116.67 125.76 3hkz s ASP 941 Ca 0.70 1.15 -0.01 0.00 -0.52 0.00 0.00 52.55 53.88 3hkz s ASP 941 Cb -0.50 -2.32 0.05 0.00 -1.46 0.00 0.00 42.92 38.69 3hkz s ASP 941 CO 0.39 0.15 -0.03 0.00 0.52 0.00 0.00 175.17 176.20 3hkz s ALA 942 N -1.36 1.57 0.20 3.66 0.00 0.20 -4.02 121.76 122.00 3hkz s ALA 942 Ca 0.35 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.34 3hkz s ALA 942 Cb -0.16 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 3hkz s ALA 942 CO 0.19 -1.06 -0.07 0.99 0.00 0.00 0.00 175.76 175.81 3hkz s THR 943 N 1.59 1.26 0.00 0.00 2.01 -1.26 -3.75 115.64 115.48 3hkz s THR 943 Ca -0.03 -2.08 0.00 0.00 0.31 0.00 0.00 61.69 59.89 3hkz s THR 943 Cb -0.17 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.23 3hkz s THR 943 CO -0.07 -0.53 0.21 -2.65 -0.69 0.00 0.00 174.62 170.88 3hkz n PRO 944 N -0.34 0.13 0.00 4.92 -0.02 -1.26 -1.99 135.00 136.44 3hkz n PRO 944 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3hkz n PRO 944 Cb 0.62 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 3hkz n PRO 944 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3hkz n PHE 945 N 1.49 0.00 0.00 6.00 3.01 -1.26 -4.73 117.46 121.96 3hkz n PHE 945 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3hkz n PHE 945 Cb 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 3hkz n PHE 945 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 3hkz n TYR 946 N 0.00 0.00 -0.12 1.38 9.36 -0.84 -5.03 117.16 121.92 3hkz n TYR 946 Ca 0.00 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 61.01 3hkz n TYR 946 Cb 0.00 -0.19 -0.07 0.00 -0.63 0.00 0.00 39.34 38.45 3hkz n TYR 946 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 3hkz n LYS 947 N -0.27 0.55 -3.25 2.98 4.81 -1.26 -4.87 118.16 116.85 3hkz n LYS 947 Ca 0.00 0.23 -0.04 0.00 -0.87 0.00 0.00 58.31 57.63 3hkz n LYS 947 Cb 0.00 -1.43 -0.03 0.00 0.02 0.00 0.00 35.03 33.59 3hkz n LYS 947 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3hkz s THR 948 N -2.64 -0.80 0.09 3.15 2.01 -1.26 -5.08 115.64 111.11 3hkz s THR 948 Ca -0.34 -0.29 -0.36 0.00 0.31 0.00 0.00 61.69 61.01 3hkz s THR 948 Cb 0.10 -0.25 -0.18 0.00 0.01 0.00 0.00 72.50 72.18 3hkz s THR 948 CO 0.45 -0.17 1.05 -0.81 -0.69 0.00 0.00 174.62 174.44 3hkz n PRO 949 N 4.42 0.49 -0.22 4.92 -0.04 -1.26 -4.47 135.00 138.83 3hkz n PRO 949 Ca 0.11 0.17 -0.02 0.00 -0.04 0.00 0.00 63.50 63.72 3hkz n PRO 949 Cb 0.53 -1.61 0.01 0.00 -0.04 0.00 0.00 33.50 32.39 3hkz n PRO 949 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3hkz n ILE 950 N 1.41 -0.32 -0.38 0.52 -5.35 -1.26 0.17 119.36 114.15 3hkz n ILE 950 Ca 0.18 1.34 0.31 0.00 -0.27 0.00 0.00 62.75 64.32 3hkz n ILE 950 Cb 0.17 -1.76 0.48 0.00 -1.74 0.00 0.00 39.64 36.79 3hkz n ILE 950 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3hkz n GLU 951 N -4.82 0.00 -0.02 6.28 -0.58 -1.26 -0.03 120.64 120.21 3hkz n GLU 951 Ca 0.05 0.74 -0.21 0.00 -0.42 0.00 0.00 57.16 57.32 3hkz n GLU 951 Cb 0.21 -1.76 -0.13 0.00 -0.57 0.00 0.00 31.44 29.19 3hkz n GLU 951 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3hkz n GLN 952 N -3.10 0.73 -0.17 3.49 6.02 0.13 -3.55 117.38 120.93 3hkz n GLN 952 Ca 0.26 0.30 -0.09 0.00 -0.01 0.00 0.00 57.00 57.46 3hkz n GLN 952 Cb 1.30 -1.70 0.01 0.00 1.02 0.00 0.00 30.24 30.86 3hkz n GLN 952 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3hkz h LEU 953 N -0.08 0.73 -0.78 1.08 3.38 -0.59 -2.61 115.31 116.44 3hkz h LEU 953 Ca -0.42 -0.22 0.18 0.00 0.09 0.00 0.00 57.88 57.51 3hkz h LEU 953 Cb 1.93 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 42.36 3hkz h LEU 953 CO 0.04 0.76 0.09 1.56 0.09 0.00 0.00 178.44 180.97 3hkz h GLN 954 N 0.67 0.16 -0.98 1.13 4.20 -1.43 0.22 115.11 119.08 3hkz h GLN 954 Ca 0.16 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.92 3hkz h GLN 954 Cb 0.30 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 3hkz h GLN 954 CO -0.00 0.10 0.63 -0.91 -0.67 0.00 0.00 178.83 177.98 3hkz h ASN 955 N 0.16 1.01 -0.19 1.46 2.35 -1.52 -1.92 115.58 116.94 3hkz h ASN 955 Ca 0.44 0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 56.01 3hkz h ASN 955 Cb 0.81 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.97 3hkz h ASN 955 CO -0.63 0.65 -0.63 -0.33 -1.65 0.00 0.00 177.43 174.85 3hkz h GLU 956 N 1.15 0.76 0.00 0.81 4.39 -0.45 -2.47 114.58 118.76 3hkz h GLU 956 Ca 0.42 -0.56 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3hkz h GLU 956 Cb 0.14 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3hkz h GLU 956 CO -0.17 1.18 -0.06 -0.84 -1.16 0.00 0.00 179.01 177.97 3hkz h ILE 957 N 0.49 0.65 0.04 3.13 3.07 -1.05 0.57 117.51 124.41 3hkz h ILE 957 Ca -0.02 -0.23 -0.00 0.00 1.55 0.00 0.00 64.86 66.15 3hkz h ILE 957 Cb 1.25 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.94 3hkz h ILE 957 CO 0.13 0.06 -0.02 0.25 -1.05 0.00 0.00 178.15 177.52 3hkz h LEU 958 N 0.00 -0.05 -0.81 0.16 6.46 -1.05 0.20 115.31 120.23 3hkz h LEU 958 Ca -0.00 -0.18 -0.05 0.00 -0.12 0.00 0.00 57.88 57.53 3hkz h LEU 958 Cb 0.14 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 3hkz h LEU 958 CO 0.01 0.16 0.32 0.03 -0.62 0.00 0.00 178.44 178.33 3hkz h ARG 959 N -0.25 1.20 0.00 1.25 -0.00 -0.77 -2.95 114.38 112.85 3hkz h ARG 959 Ca -0.01 -0.22 0.00 0.00 -0.50 0.00 0.00 59.98 59.26 3hkz h ARG 959 Cb 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.00 3hkz h ARG 959 CO 0.01 0.97 0.00 1.88 0.00 0.00 0.00 179.97 182.83 3hkz h TYR 960 N 1.16 0.00 0.00 3.04 -1.99 0.25 -3.45 116.97 115.98 3hkz h TYR 960 Ca 0.27 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.00 3hkz h TYR 960 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.95 3hkz h TYR 960 CO 0.02 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.59 3hkz n GLY 961 N -0.05 1.95 3.07 3.88 0.00 -0.77 -5.04 105.19 108.22 3hkz n GLY 961 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 3hkz n GLY 961 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hkz s TYR 962 N -2.00 0.28 0.23 1.61 1.51 0.65 -5.03 117.35 114.61 3hkz s TYR 962 Ca 0.00 -0.62 -0.31 0.00 -1.01 0.00 0.00 57.07 55.14 3hkz s TYR 962 Cb 0.00 -0.21 -0.11 0.00 -0.11 0.00 0.00 41.96 41.54 3hkz s TYR 962 CO 0.00 -0.31 1.57 -0.51 -1.11 0.00 0.00 175.55 175.18 3hkz s LEU 963 N -2.06 4.37 0.37 -1.29 1.43 -1.26 -2.79 118.68 117.44 3hkz s LEU 963 Ca -0.06 2.78 0.18 0.00 -1.03 0.00 0.00 54.13 56.00 3hkz s LEU 963 Cb -0.02 -3.62 1.18 0.00 0.03 0.00 0.00 46.19 43.77 3hkz s LEU 963 CO -0.04 -0.84 1.65 -0.65 0.23 0.00 0.00 176.35 176.70 3hkz h PRO 964 N 5.71 0.24 -1.26 1.29 0.11 -1.89 0.98 132.00 137.18 3hkz h PRO 964 Ca -0.45 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 64.98 3hkz h PRO 964 Cb 1.21 -0.05 -0.27 0.00 0.11 0.00 0.00 31.00 32.00 3hkz h PRO 964 CO 0.85 0.16 0.86 -0.25 -0.21 0.00 0.00 178.00 179.41 3hkz n ASP 965 N -4.98 7.54 0.00 -2.05 10.43 -1.26 -4.67 116.55 121.56 3hkz n ASP 965 Ca 0.33 -3.72 0.00 0.00 2.57 0.00 0.00 54.79 53.97 3hkz n ASP 965 Cb 1.09 -1.01 0.00 0.00 1.84 0.00 0.00 41.12 43.04 3hkz n ASP 965 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hkz n ALA 966 N -0.69 0.00 -1.76 2.24 0.00 0.34 -4.85 120.51 115.79 3hkz n ALA 966 Ca 0.58 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.64 3hkz n ALA 966 Cb 0.57 -0.42 0.01 0.00 0.00 0.00 0.00 19.45 19.61 3hkz n ALA 966 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hkz s THR 967 N -0.36 2.64 0.01 0.00 -4.23 -1.26 -1.90 115.64 110.55 3hkz s THR 967 Ca 0.00 0.51 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 3hkz s THR 967 Cb 0.00 -3.27 -0.01 0.00 1.34 0.00 0.00 72.50 70.56 3hkz s THR 967 CO 0.00 0.02 -0.04 -1.61 -0.54 0.00 0.00 174.62 172.45 3hkz s GLU 968 N -2.64 0.29 -0.17 3.99 2.02 0.32 -4.23 118.70 118.28 3hkz s GLU 968 Ca 0.64 -0.30 -0.29 0.00 0.02 0.00 0.00 54.97 55.04 3hkz s GLU 968 Cb -0.35 -0.17 -0.01 0.00 0.10 0.00 0.00 34.13 33.70 3hkz s GLU 968 CO 0.43 0.04 1.15 0.54 0.02 0.00 0.00 175.26 177.44 3hkz s VAL 969 N -0.53 4.47 0.29 2.63 0.11 -1.26 -1.47 120.40 124.63 3hkz s VAL 969 Ca -0.04 1.77 0.10 0.00 -2.93 0.00 0.00 61.98 60.88 3hkz s VAL 969 Cb -0.04 -4.14 -0.05 0.00 -1.53 0.00 0.00 36.38 30.61 3hkz s VAL 969 CO -0.00 -0.12 -0.14 0.68 -3.33 0.00 0.00 175.10 172.18 3hkz s VAL 970 N 3.09 2.19 -0.20 2.04 -7.23 -1.26 -3.24 120.40 115.79 3hkz s VAL 970 Ca 0.50 -2.29 -0.02 0.00 -1.81 0.00 0.00 61.98 58.37 3hkz s VAL 970 Cb -0.19 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.38 3hkz s VAL 970 CO 0.13 -0.36 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.13 3hkz s TYR 971 N -2.67 2.89 -0.54 2.82 1.51 0.71 -2.45 117.35 119.62 3hkz s TYR 971 Ca 0.29 -1.26 -0.25 0.00 -1.01 0.00 0.00 57.07 54.85 3hkz s TYR 971 Cb -0.01 -2.03 -0.26 0.00 -0.11 0.00 0.00 41.96 39.55 3hkz s TYR 971 CO 0.14 -0.66 1.75 -3.47 -1.11 0.00 0.00 175.55 172.19 3hkz n ASP 972 N 4.72 0.81 -0.52 2.29 4.64 -0.82 -0.01 116.55 127.67 3hkz n ASP 972 Ca -0.19 -2.30 0.44 0.00 -1.38 0.00 0.00 54.79 51.36 3hkz n ASP 972 Cb 0.50 -1.09 0.69 0.00 -1.04 0.00 0.00 41.12 40.18 3hkz n ASP 972 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 3hkz h GLY 973 N 19.01 0.00 1.87 0.27 0.00 -1.67 0.92 103.07 123.47 3hkz h GLY 973 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3hkz h GLY 973 CO 1.36 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.94 3hkz n ARG 974 N -3.71 0.06 0.00 4.80 1.85 -1.19 -4.06 116.66 114.41 3hkz n ARG 974 Ca 0.36 0.25 0.00 0.00 -1.00 0.00 0.00 57.85 57.46 3hkz n ARG 974 Cb 1.80 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 31.71 3hkz n ARG 974 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 3hkz n THR 975 N -1.43 0.00 0.00 8.89 5.66 0.30 -5.05 114.28 122.64 3hkz n THR 975 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 3hkz n THR 975 Cb 0.13 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.59 3hkz n THR 975 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hkz n GLY 976 N 1.76 2.55 3.79 1.09 0.00 -0.09 -5.08 105.19 109.21 3hkz n GLY 976 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3hkz n GLY 976 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hkz s GLN 977 N -0.71 3.48 0.38 1.61 -2.07 -1.26 -4.79 119.66 116.30 3hkz s GLN 977 Ca 0.00 1.43 -0.22 0.00 -1.82 0.00 0.00 55.36 54.75 3hkz s GLN 977 Cb 0.00 -2.04 -0.10 0.00 -1.09 0.00 0.00 33.01 29.78 3hkz s GLN 977 CO 0.00 -0.71 0.92 -1.59 -1.32 0.00 0.00 175.29 172.59 3hkz s LYS 978 N -3.46 4.31 1.30 9.60 -2.85 -1.26 -1.94 119.74 125.44 3hkz s LYS 978 Ca 0.69 1.12 -0.20 0.00 -1.00 0.00 0.00 55.97 56.58 3hkz s LYS 978 Cb -0.19 -2.41 0.32 0.00 -2.06 0.00 0.00 37.83 33.50 3hkz s LYS 978 CO 0.27 0.09 1.00 0.96 0.10 0.00 0.00 175.35 177.77 3hkz s ILE 979 N -1.98 1.48 -0.03 3.79 -5.25 -1.02 -4.85 121.20 113.34 3hkz s ILE 979 Ca 0.57 0.00 0.16 0.00 -0.99 0.00 0.00 60.65 60.39 3hkz s ILE 979 Cb -0.12 -2.20 -0.24 0.00 2.95 0.00 0.00 42.46 42.84 3hkz s ILE 979 CO 0.17 0.00 0.32 1.17 -1.79 0.00 0.00 174.94 174.81 3hkz n LYS 980 N -5.22 0.58 -1.09 0.37 4.81 -1.26 -4.76 118.16 111.59 3hkz n LYS 980 Ca 0.11 -0.13 0.05 0.00 -0.87 0.00 0.00 58.31 57.46 3hkz n LYS 980 Cb 0.59 -1.38 0.10 0.00 0.02 0.00 0.00 35.03 34.36 3hkz n LYS 980 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3hkz n SER 981 N -2.10 1.30 -1.00 3.14 7.64 -1.26 -5.13 113.62 116.22 3hkz n SER 981 Ca -0.05 -2.82 0.05 0.00 1.01 0.00 0.00 58.87 57.06 3hkz n SER 981 Cb 0.47 -0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 63.26 3hkz n SER 981 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hkz n ARG 982 N -0.21 -0.73 -3.63 1.43 3.00 -1.26 -4.99 116.66 110.26 3hkz n ARG 982 Ca 0.12 0.48 -0.11 0.00 -0.01 0.00 0.00 57.85 58.33 3hkz n ARG 982 Cb 0.94 -0.89 -0.07 0.00 0.00 0.00 0.00 32.46 32.44 3hkz n ARG 982 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3hkz s ILE 983 N -0.59 0.00 0.12 0.55 -1.09 -0.54 -4.91 121.20 114.74 3hkz s ILE 983 Ca 0.00 0.00 -0.31 0.00 -2.23 0.00 0.00 60.65 58.11 3hkz s ILE 983 Cb 0.00 -1.00 -0.10 0.00 -1.58 0.00 0.00 42.46 39.78 3hkz s ILE 983 CO 0.00 0.00 1.78 -0.47 -1.23 0.00 0.00 174.94 175.02 3hkz s TYR 984 N 0.89 2.27 -0.52 3.97 6.14 -1.25 0.12 117.35 128.96 3hkz s TYR 984 Ca -0.04 0.09 0.07 0.00 0.64 0.00 0.00 57.07 57.83 3hkz s TYR 984 Cb -0.05 -4.12 0.26 0.00 0.42 0.00 0.00 41.96 38.47 3hkz s TYR 984 CO -0.08 -4.57 0.68 1.19 0.64 0.00 0.00 175.55 173.41 3hkz n PHE 985 N 5.52 1.95 -2.15 4.97 3.01 -0.80 -1.98 117.46 127.99 3hkz n PHE 985 Ca 0.17 -3.90 -0.27 0.00 1.01 0.00 0.00 57.45 54.46 3hkz n PHE 985 Cb 0.39 -0.47 0.15 0.00 -0.01 0.00 0.00 39.48 39.54 3hkz n PHE 985 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3hkz s GLY 986 N -2.07 1.76 -0.17 1.37 0.00 -0.58 -4.90 107.32 102.72 3hkz s GLY 986 Ca 0.39 -1.31 0.01 0.00 0.00 0.00 0.00 44.72 43.81 3hkz s GLY 986 CO -0.06 -0.65 -0.12 0.14 0.00 0.00 0.00 173.10 172.40 3hkz s VAL 987 N -3.59 1.60 0.03 1.40 1.01 0.83 -1.01 120.40 120.67 3hkz s VAL 987 Ca 0.70 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.94 3hkz s VAL 987 Cb -0.05 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 3hkz s VAL 987 CO 0.49 0.33 -0.16 -0.69 0.00 0.00 0.00 175.10 175.07 3hkz s VAL 988 N 1.45 1.30 -0.09 2.92 1.01 -0.44 -3.36 120.40 123.20 3hkz s VAL 988 Ca 0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 3hkz s VAL 988 Cb -0.14 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3hkz s VAL 988 CO -0.10 0.16 1.42 -0.47 0.00 0.00 0.00 175.10 176.11 3hkz s TYR 989 N -0.69 2.59 -0.18 5.22 5.04 -1.26 0.05 117.35 128.11 3hkz s TYR 989 Ca 0.05 0.71 0.01 0.00 -2.44 0.00 0.00 57.07 55.40 3hkz s TYR 989 Cb -0.08 -3.67 0.03 0.00 0.35 0.00 0.00 41.96 38.59 3hkz s TYR 989 CO 0.01 -2.54 -0.17 0.71 -1.34 0.00 0.00 175.55 172.22 3hkz s TYR 990 N 3.36 2.58 0.13 4.97 2.02 -0.24 -4.20 117.35 125.98 3hkz s TYR 990 Ca 0.63 -1.55 -0.13 0.00 -0.37 0.00 0.00 57.07 55.65 3hkz s TYR 990 Cb -0.28 -1.79 -0.07 0.00 -0.40 0.00 0.00 41.96 39.43 3hkz s TYR 990 CO 0.22 -0.76 0.50 1.14 -1.57 0.00 0.00 175.55 175.08 3hkz s GLN 991 N 1.35 3.90 -0.22 -0.62 -2.07 0.55 -2.65 119.66 119.90 3hkz s GLN 991 Ca 0.04 0.38 -0.13 0.00 -1.82 0.00 0.00 55.36 53.83 3hkz s GLN 991 Cb -0.14 -2.93 -0.04 0.00 -1.09 0.00 0.00 33.01 28.81 3hkz s GLN 991 CO -0.11 0.49 0.27 0.21 -1.32 0.00 0.00 175.29 174.83 3hkz s LYS 992 N -2.00 4.11 0.85 9.60 2.36 -1.24 -1.36 119.74 132.05 3hkz s LYS 992 Ca 0.37 -0.06 -0.11 0.00 -2.55 0.00 0.00 55.97 53.62 3hkz s LYS 992 Cb -0.14 -3.54 0.13 0.00 -1.05 0.00 0.00 37.83 33.23 3hkz s LYS 992 CO 0.19 0.01 1.19 -0.51 1.55 0.00 0.00 175.35 177.78 3hkz s LEU 993 N 1.19 2.70 -0.19 5.43 1.02 -0.91 -0.83 118.68 127.09 3hkz s LEU 993 Ca 0.13 0.38 0.12 0.00 0.02 0.00 0.00 54.13 54.78 3hkz s LEU 993 Cb -0.14 -2.69 0.70 0.00 0.02 0.00 0.00 46.19 44.08 3hkz s LEU 993 CO 0.06 -2.20 1.57 0.00 0.02 0.00 0.00 176.35 175.80 3hkz n HIS 994 N -3.38 1.73 -2.25 0.29 1.44 -1.09 -4.41 115.22 107.54 3hkz n HIS 994 Ca 0.12 -0.61 -0.38 0.00 -2.01 0.00 0.00 57.72 54.84 3hkz n HIS 994 Cb 0.60 -0.43 0.02 0.00 0.12 0.00 0.00 29.99 30.31 3hkz n HIS 994 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3hkz n HIS 995 N 0.59 3.04 -1.66 -1.40 8.25 -1.26 -5.02 115.22 117.76 3hkz n HIS 995 Ca 0.24 -2.59 -0.32 0.00 -0.26 0.00 0.00 57.72 54.80 3hkz n HIS 995 Cb 1.03 -1.02 0.05 0.00 1.12 0.00 0.00 29.99 31.17 3hkz n HIS 995 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3hkz s MET 996 N -4.05 2.93 0.02 -0.41 -1.94 -1.26 -2.45 119.30 112.13 3hkz s MET 996 Ca 0.48 1.09 -0.12 0.00 -1.71 0.00 0.00 55.69 55.42 3hkz s MET 996 Cb 0.36 -1.98 -0.33 0.00 2.01 0.00 0.00 34.83 34.88 3hkz s MET 996 CO -0.29 -1.12 0.95 -0.24 -0.01 0.00 0.00 175.02 174.31 3hkz h VAL 997 N -0.42 1.24 -0.01 -6.03 3.04 -1.90 -3.29 116.25 108.89 3hkz h VAL 997 Ca -0.45 -2.73 0.00 0.00 -1.01 0.00 0.00 66.70 62.52 3hkz h VAL 997 Cb 1.22 2.96 -0.00 0.00 -2.01 0.00 0.00 31.29 33.45 3hkz h VAL 997 CO 0.56 0.83 0.00 0.00 -1.01 0.00 0.00 177.57 177.96 3hkz h ALA 998 N 0.24 1.97 0.00 3.17 0.00 -1.95 0.11 119.26 122.80 3hkz h ALA 998 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hkz h ALA 998 Cb 2.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.91 3hkz h ALA 998 CO 0.24 -0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.23 3hkz n ASP 999 N -4.49 0.38 -4.05 0.00 10.43 -1.24 -4.60 116.55 112.98 3hkz n ASP 999 Ca -0.03 0.68 -0.11 0.00 2.57 0.00 0.00 54.79 57.90 3hkz n ASP 999 Cb 0.10 -0.73 -0.11 0.00 1.84 0.00 0.00 41.12 42.22 3hkz n ASP 999 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 3hkz s LYS 1000N -3.37 0.51 0.00 -1.24 -2.85 0.37 -5.12 119.74 108.04 3hkz s LYS 1000Ca -0.01 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 54.13 3hkz s LYS 1000Cb 0.04 -0.10 0.00 0.00 -2.06 0.00 0.00 37.83 35.71 3hkz s LYS 1000CO 0.14 -0.01 0.00 -0.11 0.10 0.00 0.00 175.35 175.47 3hkz n LEU 1001N 1.18 0.00 -3.69 2.77 7.94 -1.26 -4.88 117.00 119.06 3hkz n LEU 1001Ca -0.21 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.39 3hkz n LEU 1001Cb 0.56 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.38 3hkz n LEU 1001CO 0.22 0.00 -0.28 -1.00 -1.11 0.00 0.00 177.39 175.23 3hkz s HIS 1002N -1.91 1.79 -0.20 1.96 3.76 -1.26 -4.87 115.29 114.56 3hkz s HIS 1002Ca 0.00 -2.16 -0.04 0.00 -0.15 0.00 0.00 55.06 52.71 3hkz s HIS 1002Cb 0.00 -1.75 -0.09 0.00 1.11 0.00 0.00 32.58 31.86 3hkz s HIS 1002CO 0.00 -0.82 3.07 0.00 -0.85 0.00 0.00 174.74 176.14 3hkz n ALA 1003N 3.96 6.16 -3.98 -1.40 0.00 -1.26 -4.86 120.51 119.12 3hkz n ALA 1003Ca 0.06 -2.17 -0.31 0.00 0.00 0.00 0.00 53.44 51.02 3hkz n ALA 1003Cb 0.37 -2.09 -0.15 0.00 0.00 0.00 0.00 19.45 17.57 3hkz n ALA 1003CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hkz s ARG 1004N -0.34 1.81 -0.06 0.00 3.00 -1.26 -4.97 118.95 117.13 3hkz s ARG 1004Ca 0.57 -1.16 -0.06 0.00 -1.00 0.00 0.00 55.73 54.08 3hkz s ARG 1004Cb 0.32 -2.71 -0.02 0.00 0.00 0.00 0.00 34.95 32.54 3hkz s ARG 1004CO -0.09 -0.62 -0.11 0.00 0.00 0.00 0.00 175.30 174.48 3hkz n ALA 1005N 4.57 0.28 -2.41 6.12 0.00 -1.26 -4.85 120.51 122.96 3hkz n ALA 1005Ca -0.12 -0.41 -0.28 0.00 0.00 0.00 0.00 53.44 52.63 3hkz n ALA 1005Cb 0.43 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.76 3hkz n ALA 1005CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hkz s ARG 1006N -1.63 1.43 0.14 0.00 3.52 -1.26 -5.07 118.95 116.09 3hkz s ARG 1006Ca -0.09 -1.24 -0.24 0.00 -0.13 0.00 0.00 55.73 54.03 3hkz s ARG 1006Cb 0.01 -1.80 0.08 0.00 -1.56 0.00 0.00 34.95 31.68 3hkz s ARG 1006CO 0.14 0.44 1.08 0.20 -0.81 0.00 0.00 175.30 176.34 3hkz s GLY 1007N -1.81 0.01 0.43 8.12 0.00 -1.26 -5.08 107.32 107.73 3hkz s GLY 1007Ca 0.12 -0.18 -0.24 0.00 0.00 0.00 0.00 44.72 44.42 3hkz s GLY 1007CO 0.05 2.47 1.10 -1.55 0.00 0.00 0.00 173.10 175.17 3hkz n PRO 1008N -0.69 1.53 -4.34 2.90 -0.04 -1.26 -4.84 135.00 128.26 3hkz n PRO 1008Ca -0.03 0.55 -0.18 0.00 -0.04 0.00 0.00 63.50 63.80 3hkz n PRO 1008Cb 0.60 -2.17 -0.14 0.00 -0.04 0.00 0.00 33.50 31.75 3hkz n PRO 1008CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hkz s VAL 1009N -1.25 0.81 0.09 0.52 -7.23 -1.26 -1.74 120.40 110.33 3hkz s VAL 1009Ca 0.63 -0.63 -0.36 0.00 -1.81 0.00 0.00 61.98 59.81 3hkz s VAL 1009Cb -0.54 -0.71 -0.17 0.00 0.56 0.00 0.00 36.38 35.52 3hkz s VAL 1009CO 0.57 0.09 1.22 0.00 -0.31 0.00 0.00 175.10 176.67 3hkz n GLN 1010N 2.45 0.89 -0.28 4.82 1.13 -0.15 -4.76 117.38 121.49 3hkz n GLN 1010Ca -0.16 0.32 0.04 0.00 -1.94 0.00 0.00 57.00 55.27 3hkz n GLN 1010Cb 0.56 -1.88 0.18 0.00 0.11 0.00 0.00 30.24 29.21 3hkz n GLN 1010CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3hkz h ILE 1011N 3.04 0.79 0.01 5.09 1.08 -1.94 0.49 117.51 126.07 3hkz h ILE 1011Ca -0.47 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 63.79 3hkz h ILE 1011Cb 1.36 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 3hkz h ILE 1011CO 0.73 0.11 -0.01 0.25 -0.69 0.00 0.00 178.15 178.55 3hkz h LEU 1012N 0.63 -0.02 0.00 1.44 7.12 -1.98 -3.39 115.31 119.11 3hkz h LEU 1012Ca 0.41 -0.76 0.00 0.00 0.13 0.00 0.00 57.88 57.66 3hkz h LEU 1012Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 3hkz h LEU 1012CO -0.32 0.83 -1.42 0.35 -0.13 0.00 0.00 178.44 177.75 3hkz n THR 1013N -4.68 0.29 -0.43 1.05 -2.24 -1.18 -4.95 114.28 102.14 3hkz n THR 1013Ca -0.08 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3hkz n THR 1013Cb 0.37 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3hkz n THR 1013CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hkz n ARG 1014N -2.38 0.00 -2.24 -0.78 1.74 0.17 -4.41 116.66 108.75 3hkz n ARG 1014Ca -0.01 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 3hkz n ARG 1014Cb 0.54 -3.33 -0.01 0.00 -1.02 0.00 0.00 32.46 28.64 3hkz n ARG 1014CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3hkz s GLN 1015N -0.33 3.75 0.46 5.56 -0.21 -1.26 -4.45 119.66 123.18 3hkz s GLN 1015Ca 0.00 0.76 -0.18 0.00 0.02 0.00 0.00 55.36 55.96 3hkz s GLN 1015Cb 0.00 -2.16 -0.15 0.00 1.00 0.00 0.00 33.01 31.71 3hkz s GLN 1015CO 0.00 -0.37 -0.06 -2.30 -2.12 0.00 0.00 175.29 170.44 3hkz n PRO 1016N -2.09 0.00 -1.48 2.91 -0.02 -1.26 -0.97 135.00 132.08 3hkz n PRO 1016Ca 0.05 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.24 3hkz n PRO 1016Cb 0.54 -0.98 0.13 0.00 -0.02 0.00 0.00 33.50 33.17 3hkz n PRO 1016CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hkz s THR 1017N -1.87 2.25 -0.10 3.45 -4.23 -0.71 -4.49 115.64 109.94 3hkz s THR 1017Ca 0.56 0.08 0.02 0.00 -1.18 0.00 0.00 61.69 61.17 3hkz s THR 1017Cb -0.53 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.51 3hkz s THR 1017CO 0.64 -0.11 -0.15 -0.70 -0.54 0.00 0.00 174.62 173.76 3hkz s GLU 1018N -5.20 3.08 0.00 3.99 -6.30 -1.26 -3.45 118.70 109.55 3hkz s GLU 1018Ca 0.63 -0.73 0.00 0.00 -2.50 0.00 0.00 54.97 52.38 3hkz s GLU 1018Cb -0.15 -2.50 0.00 0.00 0.00 0.00 0.00 34.13 31.48 3hkz s GLU 1018CO 0.54 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.55 3hkz n GLY 1019N 3.19 -1.50 0.30 -1.50 0.00 -1.23 -4.35 105.19 100.10 3hkz n GLY 1019Ca -0.18 -1.32 -0.06 0.00 0.00 0.00 0.00 46.02 44.47 3hkz n GLY 1019CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hkz h ARG 1020N 0.00 1.01 -0.87 1.61 2.43 -1.89 0.06 114.38 116.72 3hkz h ARG 1020Ca 0.00 -0.13 0.22 0.00 -0.81 0.00 0.00 59.98 59.26 3hkz h ARG 1020Cb 0.00 -0.19 -0.15 0.00 -0.42 0.00 0.00 29.97 29.21 3hkz h ARG 1020CO 0.00 0.77 0.07 0.00 -1.51 0.00 0.00 179.97 179.30 3hkz h ALA 1021N 1.18 1.05 -0.71 2.80 0.00 -1.97 -0.29 119.26 121.32 3hkz h ALA 1021Ca 0.25 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3hkz h ALA 1021Cb 0.08 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hkz h ALA 1021CO -0.04 -0.49 0.00 -2.13 0.00 0.00 0.00 179.25 176.60 3hkz n ARG 1022N -5.37 2.98 -2.77 0.00 0.63 -0.70 -3.97 116.66 107.47 3hkz n ARG 1022Ca 0.19 -2.72 -0.06 0.00 -0.92 0.00 0.00 57.85 54.34 3hkz n ARG 1022Cb 0.63 -1.64 0.01 0.00 0.45 0.00 0.00 32.46 31.90 3hkz n ARG 1022CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3hkz n GLU 1023N 1.51 -2.01 -3.65 -0.14 2.13 -0.07 -4.69 120.64 113.73 3hkz n GLU 1023Ca 0.25 1.88 0.01 0.00 0.66 0.00 0.00 57.16 59.96 3hkz n GLU 1023Cb 0.69 -5.34 -0.06 0.00 0.27 0.00 0.00 31.44 26.99 3hkz n GLU 1023CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3hkz s GLY 1024N -2.55 0.52 0.96 8.31 0.00 -1.24 -4.17 107.32 109.14 3hkz s GLY 1024Ca 0.19 3.71 -0.11 0.00 0.00 0.00 0.00 44.72 48.51 3hkz s GLY 1024CO 0.70 2.71 1.10 -0.32 0.00 0.00 0.00 173.10 177.29 3hkz s GLY 1025N 1.05 1.64 0.39 0.20 0.00 -1.22 -3.56 107.32 105.81 3hkz s GLY 1025Ca -0.08 0.27 -0.25 0.00 0.00 0.00 0.00 44.72 44.66 3hkz s GLY 1025CO -0.11 0.77 1.17 -2.27 0.00 0.00 0.00 173.10 172.66 3hkz s LEU 1026N -6.63 4.21 0.21 0.66 0.20 -1.26 -4.74 118.68 111.32 3hkz s LEU 1026Ca 0.66 2.35 -0.31 0.00 0.69 0.00 0.00 54.13 57.53 3hkz s LEU 1026Cb -0.22 -4.00 -0.10 0.00 -0.43 0.00 0.00 46.19 41.45 3hkz s LEU 1026CO 0.59 -0.65 1.44 -0.60 -0.29 0.00 0.00 176.35 176.85 3hkz s ARG 1027N -2.25 4.28 -0.63 1.98 3.52 -1.26 -5.01 118.95 119.58 3hkz s ARG 1027Ca 0.56 2.25 -0.15 0.00 -0.13 0.00 0.00 55.73 58.27 3hkz s ARG 1027Cb -0.31 -3.15 0.16 0.00 -1.56 0.00 0.00 34.95 30.09 3hkz s ARG 1027CO 0.39 -0.44 0.57 0.12 -0.81 0.00 0.00 175.30 175.13 3hkz s PHE 1028N 0.41 3.43 0.30 5.12 5.36 -1.26 -5.06 117.98 126.27 3hkz s PHE 1028Ca 0.62 -1.59 0.04 0.00 -0.96 0.00 0.00 56.93 55.04 3hkz s PHE 1028Cb -0.41 -3.77 -0.06 0.00 -0.34 0.00 0.00 43.02 38.44 3hkz s PHE 1028CO 0.38 -1.00 0.05 0.20 -1.46 0.00 0.00 175.22 173.38 3hkz s GLY 1029N 3.01 1.95 0.00 13.12 0.00 -1.26 -4.89 107.32 119.26 3hkz s GLY 1029Ca 0.08 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.81 3hkz s GLY 1029CO -0.01 -1.77 0.00 -1.84 0.00 0.00 0.00 173.10 169.48 3hkz n GLU 1030N -0.62 0.00 0.31 2.90 -0.00 -1.26 0.69 120.64 122.66 3hkz n GLU 1030Ca -0.03 0.00 0.19 0.00 -0.00 0.00 0.00 57.16 57.32 3hkz n GLU 1030Cb 0.66 0.00 0.97 0.00 -0.00 0.00 0.00 31.44 33.07 3hkz n GLU 1030CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 3hkz h MET 1031N 0.00 0.00 0.06 3.44 2.86 -1.99 -2.55 114.93 116.75 3hkz h MET 1031Ca 0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.32 3hkz h MET 1031Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 3hkz h MET 1031CO 0.00 0.02 -1.82 0.93 1.06 0.00 0.00 176.91 177.11 3hkz h GLU 1032N 0.00 0.13 -0.25 1.72 3.07 -0.11 -2.96 114.58 116.17 3hkz h GLU 1032Ca -0.00 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 58.62 3hkz h GLU 1032Cb 0.21 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 3hkz h GLU 1032CO 0.00 0.84 0.11 0.07 -1.40 0.00 0.00 179.01 178.63 3hkz h ARG 1033N 0.04 0.38 -0.82 2.33 0.11 -1.65 -1.80 114.38 112.95 3hkz h ARG 1033Ca -0.34 -0.07 0.32 0.00 0.10 0.00 0.00 59.98 59.99 3hkz h ARG 1033Cb 2.02 -0.06 -0.12 0.00 1.11 0.00 0.00 29.97 32.92 3hkz h ARG 1033CO 0.09 0.41 0.49 -0.25 0.10 0.00 0.00 179.97 180.80 3hkz n ASP 1034N -4.79 0.21 0.24 0.08 10.43 -0.98 0.22 116.55 121.96 3hkz n ASP 1034Ca -0.03 1.10 0.15 0.00 2.57 0.00 0.00 54.79 58.58 3hkz n ASP 1034Cb 0.12 -0.54 0.50 0.00 1.84 0.00 0.00 41.12 43.05 3hkz n ASP 1034CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hkz n LEU 1036N -2.95 2.09 -0.03 0.00 4.77 0.60 -3.78 117.00 117.70 3hkz n LEU 1036Ca 0.02 -1.60 0.02 0.00 -0.03 0.00 0.00 56.01 54.42 3hkz n LEU 1036Cb 0.37 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 3hkz n LEU 1036CO 0.29 0.50 -0.75 -0.38 -1.33 0.00 0.00 177.39 175.71 3hkz n ILE 1037N 0.15 0.30 0.20 -0.08 5.41 -0.61 -2.76 119.36 121.98 3hkz n ILE 1037Ca 0.05 -0.39 -0.15 0.00 1.00 0.00 0.00 62.75 63.26 3hkz n ILE 1037Cb 0.26 -0.11 -0.08 0.00 -0.71 0.00 0.00 39.64 39.00 3hkz n ILE 1037CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3hkz h GLY 1038N 2.48 -0.48 -1.88 7.39 0.00 -1.57 -3.40 103.07 105.61 3hkz h GLY 1038Ca -0.12 0.18 -0.49 0.00 0.00 0.00 0.00 47.33 46.89 3hkz h GLY 1038CO 0.01 -0.18 0.39 -1.36 0.00 0.00 0.00 176.54 175.40 3hkz s PHE 1039N -5.86 2.81 -0.51 5.60 2.99 -1.25 -4.96 117.98 116.80 3hkz s PHE 1039Ca -0.15 1.54 -0.02 0.00 0.00 0.00 0.00 56.93 58.29 3hkz s PHE 1039Cb 0.04 -3.13 0.21 0.00 0.00 0.00 0.00 43.02 40.14 3hkz s PHE 1039CO 0.63 -1.33 2.32 0.41 -0.00 0.00 0.00 175.22 177.25 3hkz n GLY 1040N -0.43 4.69 3.36 4.36 0.00 -1.26 -4.61 105.19 111.30 3hkz n GLY 1040Ca 0.10 -1.81 -0.45 0.00 0.00 0.00 0.00 46.02 43.86 3hkz n GLY 1040CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hkz s THR 1041N -3.09 5.69 0.11 2.61 -1.32 -1.11 -4.85 115.64 113.68 3hkz s THR 1041Ca 0.51 -2.92 -0.10 0.00 -1.21 0.00 0.00 61.69 57.96 3hkz s THR 1041Cb 0.37 -4.62 -0.16 0.00 -1.51 0.00 0.00 72.50 66.59 3hkz s THR 1041CO -0.15 -1.22 1.31 0.00 -2.21 0.00 0.00 174.62 172.35 3hkz h ALA 1042N 7.20 0.34 -0.02 11.08 0.00 -1.89 -2.77 119.26 133.21 3hkz h ALA 1042Ca 0.17 -0.62 -0.26 0.00 0.00 0.00 0.00 54.91 54.20 3hkz h ALA 1042Cb 0.93 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.73 3hkz h ALA 1042CO 0.97 0.71 -1.02 0.52 0.00 0.00 0.00 179.25 180.43 3hkz h MET 1043N 0.45 0.71 -0.24 0.00 2.86 -1.98 -2.98 114.93 113.75 3hkz h MET 1043Ca -0.06 -0.74 0.05 0.00 -2.06 0.00 0.00 59.70 56.88 3hkz h MET 1043Cb 1.44 0.21 -0.05 0.00 0.06 0.00 0.00 31.60 33.27 3hkz h MET 1043CO 0.16 1.32 -0.06 1.25 1.06 0.00 0.00 176.91 180.64 3hkz h LEU 1044N 0.41 -0.23 0.00 1.22 5.85 -1.97 -2.07 115.31 118.52 3hkz h LEU 1044Ca -0.12 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3hkz h LEU 1044Cb 1.67 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.85 3hkz h LEU 1044CO 0.20 -0.08 0.00 -0.11 -0.34 0.00 0.00 178.44 178.11 3hkz n LEU 1045N -5.22 0.00 0.11 2.25 0.00 -1.04 -0.39 117.00 112.71 3hkz n LEU 1045Ca -0.01 0.45 0.12 0.00 0.00 0.00 0.00 56.01 56.56 3hkz n LEU 1045Cb 0.15 -0.45 0.08 0.00 0.00 0.00 0.00 43.42 43.19 3hkz n LEU 1045CO 0.22 -0.23 0.24 0.50 0.00 0.00 0.00 177.39 178.13 3hkz h LYS 1046N 0.00 0.00 -0.74 1.96 3.64 -1.22 -1.88 116.57 118.33 3hkz h LYS 1046Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hkz h LYS 1046Cb 0.22 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3hkz h LYS 1046CO 0.00 0.00 0.01 -3.47 -2.27 0.00 0.00 179.45 173.72 3hkz n ASP 1047N -2.60 4.06 0.00 4.20 -0.08 0.48 -0.85 116.55 121.76 3hkz n ASP 1047Ca 0.02 -2.61 0.00 0.00 -1.51 0.00 0.00 54.79 50.68 3hkz n ASP 1047Cb 0.52 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.35 3hkz n ASP 1047CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3hkz n ARG 1048N 0.38 0.00 -0.05 -0.67 3.00 -1.22 -4.23 116.66 113.87 3hkz n ARG 1048Ca 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 58.02 3hkz n ARG 1048Cb 0.87 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 33.18 3hkz n ARG 1048CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3hkz n LEU 1049N -0.05 0.12 0.00 6.15 7.94 -0.71 -4.84 117.00 125.62 3hkz n LEU 1049Ca 0.00 0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 3hkz n LEU 1049Cb 0.00 0.27 0.00 0.00 0.53 0.00 0.00 43.42 44.22 3hkz n LEU 1049CO 0.00 0.28 0.00 -0.11 -1.11 0.00 0.00 177.39 176.45 3hkz n LEU 1050N -2.61 0.00 0.24 -1.96 0.00 -1.19 -4.87 117.00 106.61 3hkz n LEU 1050Ca -0.20 0.00 0.10 0.00 0.00 0.00 0.00 56.01 55.91 3hkz n LEU 1050Cb 0.92 0.00 0.57 0.00 0.00 0.00 0.00 43.42 44.91 3hkz n LEU 1050CO 0.44 0.00 0.87 0.44 0.00 0.00 0.00 177.39 179.14 3hkz h ASP 1051N 0.00 0.00 -1.16 1.96 3.45 -1.26 -2.82 116.42 116.59 3hkz h ASP 1051Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 3hkz h ASP 1051Cb 0.00 0.00 -0.42 0.00 -0.56 0.00 0.00 39.33 38.35 3hkz h ASP 1051CO 0.00 0.20 -0.79 0.59 -1.57 0.00 0.00 179.24 177.66 3hkz n ASN 1052N -3.56 4.62 0.01 6.45 4.13 -1.26 -4.70 115.26 120.94 3hkz n ASN 1052Ca -0.01 -3.66 0.00 0.00 1.68 0.00 0.00 54.58 52.59 3hkz n ASN 1052Cb 0.34 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 3hkz n ASN 1052CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3hkz n SER 1053N -0.56 -0.08 0.00 6.41 7.64 -1.19 -4.92 113.62 120.92 3hkz n SER 1053Ca 0.39 0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.30 3hkz n SER 1053Cb 0.80 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 3hkz n SER 1053CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3hkz n ASP 1054N -2.55 0.00 0.00 6.43 8.00 -1.08 -4.44 116.55 122.92 3hkz n ASP 1054Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3hkz n ASP 1054Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3hkz n ASP 1054CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hkz n ARG 1055N -2.50 0.00 0.00 -1.24 1.74 -1.11 -4.66 116.66 108.89 3hkz n ARG 1055Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hkz n ARG 1055Cb 0.00 -0.02 0.00 0.00 -1.02 0.00 0.00 32.46 31.42 3hkz n ARG 1055CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hkz n THR 1056N 0.00 0.00 -2.48 0.55 -1.04 -1.22 -2.45 114.28 107.64 3hkz n THR 1056Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 3hkz n THR 1056Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 3hkz n THR 1056CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3hkz s MET 1057N 0.00 4.54 0.02 -2.82 -1.94 -1.26 -2.02 119.30 115.83 3hkz s MET 1057Ca 0.00 1.74 0.03 0.00 -1.71 0.00 0.00 55.69 55.75 3hkz s MET 1057Cb 0.00 -3.30 -0.02 0.00 2.01 0.00 0.00 34.83 33.53 3hkz s MET 1057CO 0.00 -0.03 -0.10 0.42 -0.01 0.00 0.00 175.02 175.31 3hkz s ILE 1058N 0.14 0.73 0.06 2.53 1.01 0.14 -4.93 121.20 120.88 3hkz s ILE 1058Ca 0.52 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.47 3hkz s ILE 1058Cb -0.29 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 3hkz s ILE 1058CO 0.33 -0.05 -0.08 -0.31 0.00 0.00 0.00 174.94 174.83 3hkz s TYR 1059N -0.73 2.81 -0.02 3.97 1.51 -1.26 0.15 117.35 123.78 3hkz s TYR 1059Ca -0.01 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 3hkz s TYR 1059Cb -0.06 -1.51 0.01 0.00 -0.11 0.00 0.00 41.96 40.28 3hkz s TYR 1059CO 0.00 0.40 -0.05 0.08 -1.11 0.00 0.00 175.55 174.88 3hkz s VAL 1060N -1.12 0.42 0.36 0.71 1.01 0.25 -4.07 120.40 117.96 3hkz s VAL 1060Ca 0.20 -0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 3hkz s VAL 1060Cb -0.11 -0.40 -0.09 0.00 0.00 0.00 0.00 36.38 35.78 3hkz s VAL 1060CO 0.11 0.15 1.04 0.00 0.00 0.00 0.00 175.10 176.40 3hkz h ASP 1062N 2.95 -0.56 -0.23 0.00 5.19 -1.79 -1.19 116.42 120.79 3hkz h ASP 1062Ca -0.48 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 55.92 3hkz h ASP 1062Cb 1.21 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.86 3hkz h ASP 1062CO 0.64 -0.23 0.00 1.56 -3.12 0.00 0.00 179.24 178.09 3hkz h GLN 1063N -0.99 0.40 -0.81 3.56 4.20 -1.92 -3.36 115.11 116.19 3hkz h GLN 1063Ca -0.07 -0.13 -0.38 0.00 0.06 0.00 0.00 58.65 58.13 3hkz h GLN 1063Cb 0.51 -0.04 -0.41 0.00 0.30 0.00 0.00 27.48 27.84 3hkz h GLN 1063CO 0.11 0.58 -1.03 0.00 -0.67 0.00 0.00 178.83 177.82 3hkz n GLY 1065N -0.45 -0.31 0.00 0.00 0.00 -0.45 -4.66 105.19 99.33 3hkz n GLY 1065Ca 0.19 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3hkz n GLY 1065CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hkz n TYR 1066N 12.07 0.00 -1.97 1.61 0.53 -1.26 -2.96 117.16 125.17 3hkz n TYR 1066Ca 0.50 0.00 -0.29 0.00 -1.02 0.00 0.00 57.90 57.08 3hkz n TYR 1066Cb 0.32 0.00 0.19 0.00 -1.03 0.00 0.00 39.34 38.82 3hkz n TYR 1066CO 0.00 0.00 0.00 -1.50 -1.02 0.00 0.00 176.86 174.34 3hkz s ILE 1067N 0.77 2.01 0.00 -0.72 1.10 -1.26 -4.83 121.20 118.27 3hkz s ILE 1067Ca 0.00 -0.04 0.00 0.00 -0.51 0.00 0.00 60.65 60.10 3hkz s ILE 1067Cb 0.00 -2.97 0.00 0.00 0.15 0.00 0.00 42.46 39.64 3hkz s ILE 1067CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.44 3hkz n GLY 1068N -3.74 -1.79 0.00 1.50 0.00 -1.26 -4.68 105.19 95.22 3hkz n GLY 1068Ca 0.16 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3hkz n GLY 1068CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3hkz n TRP 1069N -0.62 -0.20 -3.27 1.61 4.27 -1.26 -4.71 117.44 113.27 3hkz n TRP 1069Ca 0.00 0.00 -0.46 0.00 -3.89 0.00 0.00 57.50 53.15 3hkz n TRP 1069Cb 0.00 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 29.92 3hkz n TRP 1069CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 3hkz s TYR 1070N -3.25 3.44 0.00 -2.67 1.51 -1.23 -4.99 117.35 110.16 3hkz s TYR 1070Ca 0.00 -1.57 0.00 0.00 -1.01 0.00 0.00 57.07 54.49 3hkz s TYR 1070Cb 0.00 -3.87 0.00 0.00 -0.11 0.00 0.00 41.96 37.98 3hkz s TYR 1070CO 0.00 -1.07 0.00 -0.25 -1.11 0.00 0.00 175.55 173.12 3hkz n ASP 1071N 4.90 0.00 -2.17 2.29 9.92 -1.26 -3.88 116.55 126.35 3hkz n ASP 1071Ca 0.01 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.21 3hkz n ASP 1071Cb 0.44 -0.60 -0.09 0.00 -0.64 0.00 0.00 41.12 40.23 3hkz n ASP 1071CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3hkz n LYS 1072N -0.51 1.07 -2.62 -1.24 5.02 -1.26 -2.97 118.16 115.65 3hkz n LYS 1072Ca 0.00 -0.51 -0.42 0.00 -2.02 0.00 0.00 58.31 55.36 3hkz n LYS 1072Cb 0.00 -1.73 -0.04 0.00 -0.02 0.00 0.00 35.03 33.24 3hkz n LYS 1072CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hkz s ASN 1073N 2.40 7.33 -0.82 4.39 4.22 -1.26 -2.80 114.94 128.40 3hkz s ASN 1073Ca 0.34 1.85 0.00 0.00 -2.14 0.00 0.00 52.86 52.92 3hkz s ASN 1073Cb 0.16 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 40.11 3hkz s ASN 1073CO 0.00 -0.23 0.00 0.29 -2.04 0.00 0.00 177.10 175.12 3hkz n LYS 1074N 3.26 -2.07 -4.34 3.55 4.76 -1.26 -0.45 118.16 121.61 3hkz n LYS 1074Ca 0.05 0.46 -0.32 0.00 -2.87 0.00 0.00 58.31 55.63 3hkz n LYS 1074Cb 0.49 -4.91 -0.09 0.00 -1.84 0.00 0.00 35.03 28.67 3hkz n LYS 1074CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hkz n ASN 1075N -1.21 0.55 -0.08 4.39 3.02 -1.12 -4.89 115.26 115.92 3hkz n ASN 1075Ca -0.10 -1.27 -0.07 0.00 -0.03 0.00 0.00 54.58 53.11 3hkz n ASN 1075Cb 0.49 -1.65 -0.13 0.00 -0.61 0.00 0.00 39.78 37.88 3hkz n ASN 1075CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hkz n LYS 1076N -4.52 1.25 -4.09 3.52 5.02 0.40 -5.03 118.16 114.71 3hkz n LYS 1076Ca -0.27 -0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 55.72 3hkz n LYS 1076Cb 0.67 -1.43 -0.08 0.00 -0.02 0.00 0.00 35.03 34.17 3hkz n LYS 1076CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 3hkz n TYR 1077N -2.59 -1.08 -3.50 2.13 0.18 -1.16 -4.72 117.16 106.42 3hkz n TYR 1077Ca -0.26 0.54 -0.37 0.00 1.88 0.00 0.00 57.90 59.69 3hkz n TYR 1077Cb 1.01 -2.33 -0.07 0.00 -0.38 0.00 0.00 39.34 37.57 3hkz n TYR 1077CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3hkz s VAL 1078N -4.04 5.28 0.68 -3.48 1.01 -1.25 -4.85 120.40 113.74 3hkz s VAL 1078Ca 0.10 0.56 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 3hkz s VAL 1078Cb -0.06 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 3hkz s VAL 1078CO 0.87 0.34 1.07 0.00 0.00 0.00 0.00 175.10 177.38 3hkz n PRO 1080N -2.96 0.00 -3.72 0.00 -0.02 -1.26 -2.90 135.00 124.14 3hkz n PRO 1080Ca 0.07 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.27 3hkz n PRO 1080Cb 0.55 -1.30 -0.16 0.00 -0.02 0.00 0.00 33.50 32.57 3hkz n PRO 1080CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hkz s ILE 1081N -1.35 0.46 0.00 4.25 1.01 -1.26 -5.16 121.20 119.15 3hkz s ILE 1081Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.08 3hkz s ILE 1081Cb 0.00 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.45 3hkz s ILE 1081CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 174.94 174.68 3hkz n HIS 1082N 5.07 -2.08 -2.50 3.97 1.44 -1.14 -4.71 115.22 115.26 3hkz n HIS 1082Ca -0.08 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.56 3hkz n HIS 1082Cb 0.47 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.61 3hkz n HIS 1082CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3hkz n GLY 1083N 5.00 0.09 4.56 -1.39 0.00 -1.26 -2.86 105.19 109.33 3hkz n GLY 1083Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3hkz n GLY 1083CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hkz n ASP 1084N -1.98 0.00 -4.32 1.61 8.00 -1.26 -4.92 116.55 113.67 3hkz n ASP 1084Ca -0.10 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.01 3hkz n ASP 1084Cb 0.57 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.68 3hkz n ASP 1084CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3hkz n LYS 1085N 0.00 0.15 0.00 -1.24 4.81 -1.13 -2.03 118.16 118.72 3hkz n LYS 1085Ca 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 3hkz n LYS 1085Cb 0.00 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 33.84 3hkz n LYS 1085CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3hkz n SER 1086N 1.90 0.00 -1.22 3.14 3.41 -1.26 -4.80 113.62 114.79 3hkz n SER 1086Ca 0.09 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.73 3hkz n SER 1086Cb 0.47 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 3hkz n SER 1086CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hkz n ASN 1087N 0.86 -6.58 -4.19 4.04 4.05 -0.86 -4.50 115.26 108.08 3hkz n ASN 1087Ca 0.00 1.42 -0.20 0.00 0.45 0.00 0.00 54.58 56.25 3hkz n ASN 1087Cb 0.00 -3.83 -0.12 0.00 1.23 0.00 0.00 39.78 37.06 3hkz n ASN 1087CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3hkz s LEU 1088N -5.24 2.26 -0.08 1.20 1.43 -1.26 -4.09 118.68 112.90 3hkz s LEU 1088Ca 0.00 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 3hkz s LEU 1088Cb 0.00 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 3hkz s LEU 1088CO 0.00 -0.03 -0.11 -0.36 0.23 0.00 0.00 176.35 176.09 3hkz s PHE 1089N -1.16 2.83 0.37 0.29 2.99 -1.11 -4.93 117.98 117.25 3hkz s PHE 1089Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 56.93 56.61 3hkz s PHE 1089Cb -0.10 -1.71 -0.09 0.00 0.00 0.00 0.00 43.02 41.12 3hkz s PHE 1089CO 0.02 0.17 0.79 -2.14 -0.00 0.00 0.00 175.22 174.07 3hkz s PRO 1090N -0.53 4.00 -0.17 0.24 0.02 -1.26 -0.58 135.00 136.72 3hkz s PRO 1090Ca 0.07 0.73 -0.09 0.00 0.02 0.00 0.00 61.00 61.74 3hkz s PRO 1090Cb -0.12 -2.36 0.06 0.00 0.02 0.00 0.00 34.50 32.10 3hkz s PRO 1090CO 0.02 0.06 0.40 0.54 -0.33 0.00 0.00 177.00 177.69 3hkz s VAL 1091N -2.13 -0.12 -0.36 3.83 0.11 0.39 -4.95 120.40 117.19 3hkz s VAL 1091Ca 0.55 0.11 -0.29 0.00 -2.93 0.00 0.00 61.98 59.42 3hkz s VAL 1091Cb -0.10 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 3hkz s VAL 1091CO 0.20 0.05 1.40 -0.89 -3.33 0.00 0.00 175.10 172.52 3hkz s THR 1092N 1.58 3.96 -0.09 5.04 2.01 -1.26 -0.68 115.64 126.19 3hkz s THR 1092Ca -0.08 1.03 -0.11 0.00 0.31 0.00 0.00 61.69 62.83 3hkz s THR 1092Cb -0.09 -4.13 0.03 0.00 0.01 0.00 0.00 72.50 68.31 3hkz s THR 1092CO -0.13 -0.61 0.29 -0.69 -0.69 0.00 0.00 174.62 172.80 3hkz s VAL 1093N 5.08 0.01 0.03 3.82 1.01 -0.85 -4.99 120.40 124.51 3hkz s VAL 1093Ca 0.61 -0.12 -0.33 0.00 0.00 0.00 0.00 61.98 62.14 3hkz s VAL 1093Cb -0.16 -0.46 -0.11 0.00 0.00 0.00 0.00 36.38 35.65 3hkz s VAL 1093CO 0.29 -0.07 1.84 -0.24 0.00 0.00 0.00 175.10 176.92 3hkz n SER 1094N 2.56 3.67 -0.34 3.32 2.88 -1.26 -3.38 113.62 121.07 3hkz n SER 1094Ca -0.15 0.98 0.29 0.00 -1.33 0.00 0.00 58.87 58.66 3hkz n SER 1094Cb 0.57 -1.45 0.61 0.00 -0.75 0.00 0.00 64.21 63.19 3hkz n SER 1094CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3hkz h TYR 1095N 8.74 0.42 -1.06 0.66 3.20 -1.87 0.17 116.97 127.23 3hkz h TYR 1095Ca -0.48 0.02 0.28 0.00 3.14 0.00 0.00 58.73 61.69 3hkz h TYR 1095Cb 1.25 -0.12 -0.10 0.00 1.54 0.00 0.00 36.73 39.30 3hkz h TYR 1095CO 0.83 0.01 0.68 0.00 -1.64 0.00 0.00 178.16 178.03 3hkz h ALA 1096N 1.55 2.23 0.28 1.82 0.00 -1.90 0.40 119.26 123.63 3hkz h ALA 1096Ca 0.61 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.58 3hkz h ALA 1096Cb 1.88 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3hkz h ALA 1096CO -0.21 -0.67 -0.13 0.35 0.00 0.00 0.00 179.25 178.58 3hkz h PHE 1097N 0.38 -0.35 -0.97 0.00 3.57 -1.03 -3.16 116.94 115.38 3hkz h PHE 1097Ca 0.62 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 62.38 3hkz h PHE 1097Cb 1.58 0.11 -0.18 0.00 2.79 0.00 0.00 35.95 40.26 3hkz h PHE 1097CO -0.00 -0.01 0.05 -0.22 -2.23 0.00 0.00 178.31 175.90 3hkz h LYS 1098N -0.74 0.02 0.76 1.11 3.11 -0.98 0.50 116.57 120.36 3hkz h LYS 1098Ca -0.04 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.77 3hkz h LYS 1098Cb 0.50 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.72 3hkz h LYS 1098CO 0.06 0.01 -0.44 -0.07 -2.81 0.00 0.00 179.45 176.20 3hkz h LEU 1099N 0.02 -1.10 -0.13 5.20 3.38 -1.54 -2.29 115.31 118.85 3hkz h LEU 1099Ca 0.59 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.66 3hkz h LEU 1099Cb 1.22 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 42.22 3hkz h LEU 1099CO -0.89 -0.69 -0.46 0.25 0.09 0.00 0.00 178.44 176.73 3hkz h LEU 1100N -1.12 -1.45 -0.96 1.67 5.85 -0.07 0.39 115.31 119.62 3hkz h LEU 1100Ca -0.10 0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.90 3hkz h LEU 1100Cb 0.89 0.58 -0.12 0.00 0.37 0.00 0.00 40.66 42.37 3hkz h LEU 1100CO 0.12 -0.45 -0.52 -0.38 -0.34 0.00 0.00 178.44 176.87 3hkz n ILE 1101N -5.44 -0.62 0.08 4.05 2.08 0.13 0.83 119.36 120.47 3hkz n ILE 1101Ca -0.05 2.30 -0.13 0.00 0.56 0.00 0.00 62.75 65.43 3hkz n ILE 1101Cb 0.37 -2.89 -0.06 0.00 -0.75 0.00 0.00 39.64 36.31 3hkz n ILE 1101CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 3hkz h GLN 1102N 0.00 -0.54 -0.48 0.38 4.20 -0.32 0.19 115.11 118.54 3hkz h GLN 1102Ca 0.19 0.04 0.10 0.00 0.06 0.00 0.00 58.65 59.04 3hkz h GLN 1102Cb 0.43 0.12 -0.09 0.00 0.30 0.00 0.00 27.48 28.24 3hkz h GLN 1102CO -0.91 -0.36 -0.16 0.93 -0.67 0.00 0.00 178.83 177.65 3hkz h GLU 1103N -0.56 -0.05 -0.60 1.46 5.08 0.38 0.74 114.58 121.03 3hkz h GLU 1103Ca 0.04 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.52 3hkz h GLU 1103Cb 0.63 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.80 3hkz h GLU 1103CO -0.27 -0.03 0.11 -0.07 -1.00 0.00 0.00 179.01 177.74 3hkz h LEU 1104N -0.05 -0.04 0.34 1.33 3.38 0.72 -0.06 115.31 120.92 3hkz h LEU 1104Ca 0.23 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 3hkz h LEU 1104Cb 0.40 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3hkz h LEU 1104CO -0.52 -0.01 -0.31 0.24 0.09 0.00 0.00 178.44 177.94 3hkz h MET 1105N 0.23 -0.64 0.00 1.13 2.86 0.33 0.70 114.93 119.54 3hkz h MET 1105Ca 0.31 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 58.00 3hkz h MET 1105Cb 0.47 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 3hkz h MET 1105CO -0.42 -0.43 -0.01 0.66 1.06 0.00 0.00 176.91 177.78 3hkz h SER 1106N -0.66 0.00 -0.08 1.22 4.64 0.83 0.61 113.55 120.10 3hkz h SER 1106Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hkz h SER 1106Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3hkz h SER 1106CO -0.04 0.01 0.00 0.80 -0.87 0.00 0.00 176.83 176.73 3hkz n MET 1107N -3.20 1.80 -2.59 4.77 0.00 -0.10 -4.94 117.12 112.87 3hkz n MET 1107Ca -0.03 -1.18 -0.07 0.00 0.00 0.00 0.00 57.70 56.43 3hkz n MET 1107Cb 0.10 -1.46 0.03 0.00 0.00 0.00 0.00 33.22 31.90 3hkz n MET 1107CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 3hkz n ILE 1108N 0.42 -1.88 -4.15 1.12 2.08 0.21 -5.06 119.36 112.10 3hkz n ILE 1108Ca 0.18 -0.14 -0.34 0.00 0.56 0.00 0.00 62.75 63.00 3hkz n ILE 1108Cb 0.39 -3.16 -0.10 0.00 -0.75 0.00 0.00 39.64 36.02 3hkz n ILE 1108CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3hkz s ILE 1109N -3.12 4.55 -0.30 1.39 -1.09 0.24 -4.99 121.20 117.88 3hkz s ILE 1109Ca 0.05 -0.13 -0.24 0.00 -2.23 0.00 0.00 60.65 58.10 3hkz s ILE 1109Cb -0.02 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 3hkz s ILE 1109CO 0.26 0.50 0.80 -0.94 -1.23 0.00 0.00 174.94 174.33 3hkz s SER 1110N 0.06 6.69 -0.78 3.58 1.04 -1.26 -3.03 113.70 120.00 3hkz s SER 1110Ca 0.04 0.72 0.02 0.00 0.48 0.00 0.00 55.95 57.20 3hkz s SER 1110Cb -0.13 -2.42 0.19 0.00 0.10 0.00 0.00 66.02 63.77 3hkz s SER 1110CO 0.01 -0.61 0.61 -2.16 0.98 0.00 0.00 173.24 172.07 3hkz s PRO 1111N 2.97 2.82 -0.50 4.02 0.04 -1.26 -5.05 135.00 138.04 3hkz s PRO 1111Ca 0.33 -3.26 -0.19 0.00 0.04 0.00 0.00 61.00 57.92 3hkz s PRO 1111Cb -0.14 -3.68 0.05 0.00 0.04 0.00 0.00 34.50 30.77 3hkz s PRO 1111CO 0.12 -1.26 0.63 1.03 0.04 0.00 0.00 177.00 177.56 3hkz s ARG 1112N -1.31 3.14 -0.07 4.56 0.52 -1.26 -4.68 118.95 119.86 3hkz s ARG 1112Ca 0.25 -0.82 -0.19 0.00 -0.52 0.00 0.00 55.73 54.45 3hkz s ARG 1112Cb -0.07 -4.08 -0.05 0.00 0.52 0.00 0.00 34.95 31.27 3hkz s ARG 1112CO -0.13 -1.20 0.54 -0.48 0.02 0.00 0.00 175.30 174.05 3hkz s LEU 1113N 2.67 4.34 0.00 2.53 0.05 -1.16 -4.98 118.68 122.13 3hkz s LEU 1113Ca 0.16 0.98 0.00 0.00 0.05 0.00 0.00 54.13 55.32 3hkz s LEU 1113Cb -0.18 -2.82 0.00 0.00 -2.05 0.00 0.00 46.19 41.14 3hkz s LEU 1113CO 0.13 0.03 0.00 1.33 -0.55 0.00 0.00 176.35 177.29 3hkz n VAL 1114N 3.30 0.00 -3.61 1.48 0.24 -1.26 -4.76 118.33 113.72 3hkz n VAL 1114Ca -0.06 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.13 3hkz n VAL 1114Cb 0.51 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 3hkz n VAL 1114CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 3hkz s LEU 1115N 0.00 -0.46 0.00 1.34 2.34 -1.26 -5.06 118.68 115.58 3hkz s LEU 1115Ca 0.00 0.75 0.00 0.00 0.06 0.00 0.00 54.13 54.94 3hkz s LEU 1115Cb 0.00 1.97 0.00 0.00 -0.56 0.00 0.00 46.19 47.60 3hkz s LEU 1115CO 0.00 -0.25 0.00 -0.62 -1.06 0.00 0.00 176.35 174.42 3hkz n GLU 1116N 1.67 2.45 0.00 1.48 1.02 -1.26 -5.17 120.64 120.83 3hkz n GLU 1116Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 3hkz n GLU 1116Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 3hkz n GLU 1116CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3hkz n ASP 1117N 0.00 0.00 0.00 1.62 -0.08 -1.26 -5.08 116.55 111.75 3hkz n ASP 1117Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3hkz n ASP 1117Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3hkz n ASP 1117CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 3hkz n LYS 1118N 0.00 0.00 0.00 -0.67 2.85 -1.26 -5.28 118.16 113.80 3hkz n LYS 1118Ca 0.00 0.00 0.15 0.00 -1.05 0.00 0.00 58.31 57.41 3hkz n LYS 1118Cb 0.00 0.00 0.89 0.00 -0.65 0.00 0.00 35.03 35.27 3hkz n LYS 1118CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63