#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khk s GLN 7 N 0.00 1.63 -0.04 2.61 0.00 -1.26 -5.07 119.66 117.53 3khk s GLN 7 Ca 0.00 -1.44 0.05 0.00 -0.00 0.00 0.00 55.36 53.97 3khk s GLN 7 Cb 0.00 0.45 0.22 0.00 0.00 0.00 0.00 33.01 33.67 3khk s GLN 7 CO 0.00 -0.67 1.00 1.97 0.00 0.00 0.00 175.29 177.59 3khk n PHE 8 N -0.42 0.46 0.22 9.60 -0.00 -1.26 -4.15 117.46 121.91 3khk n PHE 8 Ca -0.01 -0.18 0.07 0.00 -0.00 0.00 0.00 57.45 57.33 3khk n PHE 8 Cb 0.62 -0.12 0.34 0.00 -0.00 0.00 0.00 39.48 40.32 3khk n PHE 8 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3khk n LEU 9 N 0.16 0.32 0.13 5.98 7.99 -1.26 0.53 117.00 130.84 3khk n LEU 9 Ca 0.08 0.62 -0.24 0.00 -0.01 0.00 0.00 56.01 56.45 3khk n LEU 9 Cb 0.37 -0.63 -0.16 0.00 -0.11 0.00 0.00 43.42 42.90 3khk n LEU 9 CO 0.07 -0.62 -0.27 0.78 -1.51 0.00 0.00 177.39 175.84 3khk h ASN 10 N 0.00 0.78 0.50 -1.43 2.35 -2.01 -3.33 115.58 112.44 3khk h ASN 10 Ca 0.00 -0.93 -0.02 0.00 -0.55 0.00 0.00 56.30 54.80 3khk h ASN 10 Cb 0.11 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.23 3khk h ASN 10 CO 0.00 1.71 -0.24 0.44 -1.65 0.00 0.00 177.43 177.69 3khk h ASP 11 N 0.10 -0.57 -0.55 5.81 3.32 -0.23 -2.09 116.42 122.22 3khk h ASP 11 Ca -0.27 0.02 0.09 0.00 0.02 0.00 0.00 57.03 56.90 3khk h ASP 11 Cb 2.12 0.15 -0.11 0.00 0.22 0.00 0.00 39.33 41.71 3khk h ASP 11 CO 0.25 -0.36 -0.37 0.25 -1.72 0.00 0.00 179.24 177.29 3khk h LEU 12 N -0.76 -1.25 -0.01 1.55 5.85 -1.57 -1.48 115.31 117.64 3khk h LEU 12 Ca -0.07 0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3khk h LEU 12 Cb 0.51 0.60 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3khk h LEU 12 CO 0.11 -0.32 -0.27 0.44 -0.34 0.00 0.00 178.44 178.06 3khk h ASP 13 N -0.20 -0.84 -0.95 1.25 5.19 -1.67 -0.14 116.42 119.06 3khk h ASP 13 Ca 0.20 0.09 0.09 0.00 -0.62 0.00 0.00 57.03 56.80 3khk h ASP 13 Cb 0.56 0.32 -0.12 0.00 0.18 0.00 0.00 39.33 40.27 3khk h ASP 13 CO -0.66 -0.26 -0.53 0.59 -3.12 0.00 0.00 179.24 175.26 3khk n ASN 14 N -3.99 -0.95 0.07 6.45 3.02 -0.79 -0.84 115.26 118.24 3khk n ASN 14 Ca -0.04 1.69 -0.12 0.00 -0.03 0.00 0.00 54.58 56.09 3khk n ASN 14 Cb 0.20 -0.24 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 3khk n ASN 14 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3khk h GLN 15 N 0.00 -0.39 -0.45 3.52 4.20 -0.91 -1.56 115.11 119.52 3khk h GLN 15 Ca 0.18 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 3khk h GLN 15 Cb 0.42 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3khk h GLN 15 CO -0.90 -0.26 0.27 -0.07 -0.67 0.00 0.00 178.83 177.20 3khk h LEU 16 N -0.41 0.53 0.18 1.46 3.38 0.08 0.57 115.31 121.10 3khk h LEU 16 Ca 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3khk h LEU 16 Cb 0.48 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3khk h LEU 16 CO -0.20 0.41 -0.09 -0.25 0.09 0.00 0.00 178.44 178.40 3khk h TRP 17 N 0.62 -0.22 -0.75 1.13 2.91 -0.64 -1.59 115.95 117.40 3khk h TRP 17 Ca 0.16 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.17 3khk h TRP 17 Cb -0.03 0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 28.66 3khk h TRP 17 CO 0.00 0.11 0.45 0.07 -1.03 0.00 0.00 178.44 178.04 3khk h ARG 18 N -0.57 1.02 0.68 2.65 0.11 -0.87 0.34 114.38 117.74 3khk h ARG 18 Ca -0.02 -0.09 -0.03 0.00 0.10 0.00 0.00 59.98 59.94 3khk h ARG 18 Cb 0.43 -0.21 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 3khk h ARG 18 CO 0.04 0.72 -0.50 0.00 0.10 0.00 0.00 179.97 180.33 3khk h ALA 19 N 1.24 -1.22 -0.11 0.08 0.00 -0.95 -1.10 119.26 117.20 3khk h ALA 19 Ca 0.27 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3khk h ALA 19 Cb -0.04 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3khk h ALA 19 CO -0.05 -1.21 0.13 0.00 0.00 0.00 0.00 179.25 178.12 3khk h ALA 20 N -1.04 1.68 -0.06 0.00 0.00 -1.12 -1.46 119.26 117.27 3khk h ALA 20 Ca -0.09 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3khk h ALA 20 Cb 0.94 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3khk h ALA 20 CO 0.04 -0.18 -0.65 0.22 0.00 0.00 0.00 179.25 178.68 3khk h ASP 21 N 0.00 0.30 0.36 0.00 3.58 0.34 -3.19 116.42 117.81 3khk h ASP 21 Ca 0.05 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.28 3khk h ASP 21 Cb 0.31 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 3khk h ASP 21 CO -0.00 0.86 -0.22 0.11 -2.88 0.00 0.00 179.24 177.12 3khk h LYS 22 N 0.18 0.00 -0.02 0.28 1.57 -0.10 -3.14 116.57 115.35 3khk h LYS 22 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3khk h LYS 22 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3khk h LYS 22 CO 0.10 0.22 -0.28 1.28 -0.57 0.00 0.00 179.45 180.20 3khk n LEU 23 N -3.91 2.01 -0.30 2.94 4.77 -1.21 -4.63 117.00 116.67 3khk n LEU 23 Ca -0.02 -0.69 0.11 0.00 -0.03 0.00 0.00 56.01 55.37 3khk n LEU 23 Cb 0.30 -0.02 0.33 0.00 -2.33 0.00 0.00 43.42 41.70 3khk n LEU 23 CO 0.34 0.36 1.22 0.08 -1.33 0.00 0.00 177.39 178.06 3khk h ARG 24 N 2.72 0.77 0.00 3.23 0.11 -1.56 -3.47 114.38 116.19 3khk h ARG 24 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 3khk h ARG 24 Cb 0.74 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.65 3khk h ARG 24 CO 0.00 0.51 0.00 0.45 0.10 0.00 0.00 179.97 181.03 3khk n SER 25 N -4.59 0.00 -1.82 0.08 2.88 -1.26 -3.69 113.62 105.22 3khk n SER 25 Ca 0.18 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.71 3khk n SER 25 Cb 0.44 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.88 3khk n SER 25 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3khk n ASN 26 N -0.64 3.00 -3.92 -3.46 5.15 -1.26 -4.83 115.26 109.31 3khk n ASN 26 Ca 0.00 -1.85 -0.10 0.00 -0.60 0.00 0.00 54.58 52.03 3khk n ASN 26 Cb 0.00 -0.67 -0.10 0.00 -0.53 0.00 0.00 39.78 38.48 3khk n ASN 26 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3khk s LEU 27 N 0.00 1.80 0.39 1.20 1.43 -1.24 -5.05 118.68 117.20 3khk s LEU 27 Ca 0.08 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3khk s LEU 27 Cb 0.04 0.52 -0.02 0.00 0.03 0.00 0.00 46.19 46.76 3khk s LEU 27 CO 0.00 -0.41 0.60 -1.81 0.23 0.00 0.00 176.35 174.97 3khk s ASP 28 N -1.68 6.11 0.30 2.29 1.01 -1.26 -4.94 116.67 118.50 3khk s ASP 28 Ca -0.11 0.39 0.24 0.00 0.71 0.00 0.00 52.55 53.78 3khk s ASP 28 Cb -0.06 -1.83 1.06 0.00 1.01 0.00 0.00 42.92 43.10 3khk s ASP 28 CO -0.01 -0.46 1.74 0.00 0.21 0.00 0.00 175.17 176.64 3khk h ALA 29 N 0.60 1.00 0.00 5.23 0.00 -1.92 -0.47 119.26 123.70 3khk h ALA 29 Ca -0.48 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3khk h ALA 29 Cb 1.23 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.03 3khk h ALA 29 CO 0.60 0.00 -0.26 0.00 0.00 0.00 0.00 179.25 179.58 3khk h ALA 30 N 2.21 0.03 0.13 0.00 0.00 -1.93 -3.18 119.26 116.51 3khk h ALA 30 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3khk h ALA 30 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3khk h ALA 30 CO 0.00 0.10 -0.06 -0.91 0.00 0.00 0.00 179.25 178.37 3khk h ASN 31 N -0.51 -0.15 -0.00 0.00 -0.26 -1.95 -3.33 115.58 109.39 3khk h ASN 31 Ca -0.03 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 3khk h ASN 31 Cb 1.03 0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 38.33 3khk h ASN 31 CO 0.05 -0.08 0.79 0.22 -1.06 0.00 0.00 177.43 177.35 3khk h TYR 32 N -0.22 0.00 -0.07 1.19 3.20 -1.24 0.31 116.97 120.15 3khk h TYR 32 Ca -0.02 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3khk h TYR 32 Cb 0.13 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3khk h TYR 32 CO 0.14 0.00 -0.31 1.57 -1.64 0.00 0.00 178.16 177.92 3khk h LYS 33 N 0.00 0.13 -0.01 1.82 2.10 -1.66 -3.19 116.57 115.76 3khk h LYS 33 Ca 0.00 -0.05 -0.17 0.00 -2.00 0.00 0.00 60.65 58.44 3khk h LYS 33 Cb 1.59 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.89 3khk h LYS 33 CO -0.00 0.44 -0.77 0.45 -2.00 0.00 0.00 179.45 177.56 3khk h HIS 34 N 0.12 0.15 0.36 0.07 3.86 -0.58 -0.22 115.15 118.91 3khk h HIS 34 Ca 0.02 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 3khk h HIS 34 Cb 0.62 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.07 3khk h HIS 34 CO 0.01 0.83 -0.18 0.28 0.86 0.00 0.00 177.93 179.73 3khk h VAL 35 N 0.06 0.54 0.03 2.45 2.07 -1.72 0.11 116.25 119.79 3khk h VAL 35 Ca -0.02 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 66.92 3khk h VAL 35 Cb 1.36 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 3khk h VAL 35 CO 0.11 0.10 -0.29 0.58 0.02 0.00 0.00 177.57 178.09 3khk h VAL 36 N -0.88 0.36 0.00 2.57 2.07 -1.58 0.71 116.25 119.50 3khk h VAL 36 Ca -0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3khk h VAL 36 Cb 0.54 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3khk h VAL 36 CO 0.08 0.00 -0.10 -0.07 0.02 0.00 0.00 177.57 177.51 3khk h LEU 37 N -0.46 0.00 0.06 2.57 3.38 -1.09 -1.94 115.31 117.83 3khk h LEU 37 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3khk h LEU 37 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3khk h LEU 37 CO -0.23 0.10 -0.03 1.23 0.09 0.00 0.00 178.44 179.60 3khk h GLY 38 N 0.56 -0.09 2.00 0.83 0.00 0.04 -2.79 103.07 103.62 3khk h GLY 38 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3khk h GLY 38 CO 0.01 -0.03 -0.10 1.41 0.00 0.00 0.00 176.54 177.83 3khk h LEU 39 N -0.78 0.00 -0.04 3.11 3.38 -0.69 -0.56 115.31 119.72 3khk h LEU 39 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 3khk h LEU 39 Cb 0.62 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.39 3khk h LEU 39 CO 0.01 0.10 -0.98 0.40 0.09 0.00 0.00 178.44 178.07 3khk h ILE 40 N 0.00 1.28 -0.17 1.22 2.04 -1.45 0.20 117.51 120.63 3khk h ILE 40 Ca -0.00 -2.17 0.01 0.00 1.00 0.00 0.00 64.86 63.70 3khk h ILE 40 Cb 0.20 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3khk h ILE 40 CO 0.01 0.68 0.08 0.15 0.00 0.00 0.00 178.15 179.08 3khk h PHE 41 N 0.44 0.16 -0.25 1.37 3.57 -1.17 0.38 116.94 121.44 3khk h PHE 41 Ca -0.11 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 3khk h PHE 41 Cb 1.62 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 3khk h PHE 41 CO 0.10 0.09 0.08 1.25 -2.23 0.00 0.00 178.31 177.61 3khk h LEU 42 N 0.18 0.35 -0.19 0.59 5.85 -1.09 -0.81 115.31 120.19 3khk h LEU 42 Ca 0.07 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3khk h LEU 42 Cb 0.01 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 3khk h LEU 42 CO -0.04 0.45 -0.27 0.50 -0.34 0.00 0.00 178.44 178.74 3khk h LYS 43 N 0.24 -0.29 -0.58 1.25 3.64 -0.39 -0.60 116.57 119.83 3khk h LYS 43 Ca 0.08 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.59 3khk h LYS 43 Cb 0.22 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.02 3khk h LYS 43 CO -0.00 -0.20 0.08 -0.92 -2.27 0.00 0.00 179.45 176.14 3khk h TYR 44 N -0.31 0.12 -0.01 1.91 3.20 0.19 0.35 116.97 122.42 3khk h TYR 44 Ca 0.12 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.86 3khk h TYR 44 Cb 0.49 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3khk h TYR 44 CO -0.39 -0.07 -0.74 -0.24 -1.64 0.00 0.00 178.16 175.07 3khk h VAL 45 N 0.21 1.48 0.03 1.81 3.04 -0.82 -1.01 116.25 120.99 3khk h VAL 45 Ca 0.30 -2.41 -0.22 0.00 -1.01 0.00 0.00 66.70 63.36 3khk h VAL 45 Cb 0.46 2.30 -0.02 0.00 -2.01 0.00 0.00 31.29 32.02 3khk h VAL 45 CO -0.42 0.70 -1.03 0.28 -1.01 0.00 0.00 177.57 176.09 3khk h SER 46 N 0.07 0.13 -0.40 3.17 0.02 -0.58 -2.01 113.55 113.96 3khk h SER 46 Ca -0.02 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3khk h SER 46 Cb 1.31 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 3khk h SER 46 CO 0.11 1.07 0.20 0.44 -1.14 0.00 0.00 176.83 177.50 3khk h ASP 47 N 0.03 0.55 0.83 3.07 5.19 -0.10 -2.84 116.42 123.15 3khk h ASP 47 Ca -0.04 -0.05 -0.23 0.00 -0.62 0.00 0.00 57.03 56.08 3khk h ASP 47 Cb 1.76 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 41.09 3khk h ASP 47 CO 0.15 0.48 -1.25 0.00 -3.12 0.00 0.00 179.24 175.50 3khk h ALA 48 N 1.60 0.53 -0.03 3.45 0.00 -0.95 -2.09 119.26 121.78 3khk h ALA 48 Ca 0.15 -1.09 -0.19 0.00 0.00 0.00 0.00 54.91 53.78 3khk h ALA 48 Cb 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3khk h ALA 48 CO -0.02 1.34 -0.81 0.35 0.00 0.00 0.00 179.25 180.11 3khk h PHE 49 N 0.00 0.42 0.72 0.00 3.57 -1.41 -2.71 116.94 117.53 3khk h PHE 49 Ca -0.11 -0.21 -0.04 0.00 3.53 0.00 0.00 57.97 61.14 3khk h PHE 49 Cb 1.84 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 40.53 3khk h PHE 49 CO 0.00 0.99 -0.35 1.49 -2.23 0.00 0.00 178.31 178.21 3khk h GLU 50 N 0.18 -0.94 -0.63 1.11 4.81 -1.57 -2.24 114.58 115.32 3khk h GLU 50 Ca -0.04 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 3khk h GLU 50 Cb 1.41 0.21 -0.11 0.00 0.63 0.00 0.00 28.75 30.89 3khk h GLU 50 CO 0.13 -0.62 -0.42 1.49 -0.73 0.00 0.00 179.01 178.86 3khk h GLU 51 N -1.02 -0.19 -0.72 1.92 4.81 -1.40 -0.42 114.58 117.57 3khk h GLU 51 Ca -0.10 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3khk h GLU 51 Cb 0.74 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.12 3khk h GLU 51 CO 0.16 -0.12 0.45 -0.09 -0.73 0.00 0.00 179.01 178.68 3khk h ARG 52 N -0.19 0.85 -1.00 1.92 9.65 -1.56 -1.25 114.38 122.79 3khk h ARG 52 Ca 0.20 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 59.07 3khk h ARG 52 Cb 0.56 -0.19 -0.06 0.00 -1.39 0.00 0.00 29.97 28.89 3khk h ARG 52 CO -0.72 0.56 0.66 1.96 2.80 0.00 0.00 179.97 185.23 3khk h GLN 53 N 0.87 1.23 -0.24 0.20 4.20 -0.50 -2.02 115.11 118.85 3khk h GLN 53 Ca 0.29 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 3khk h GLN 53 Cb 0.03 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 3khk h GLN 53 CO -0.11 0.81 -0.33 -0.56 -0.67 0.00 0.00 178.83 177.97 3khk h GLN 54 N 1.27 0.52 0.17 1.46 3.07 0.05 -1.71 115.11 119.94 3khk h GLN 54 Ca 0.40 -0.23 -0.31 0.00 0.09 0.00 0.00 58.65 58.60 3khk h GLN 54 Cb 0.00 -0.01 0.03 0.00 0.08 0.00 0.00 27.48 27.58 3khk h GLN 54 CO -0.13 0.78 -1.32 1.05 0.09 0.00 0.00 178.83 179.31 3khk h GLU 55 N 0.44 0.55 -0.52 0.06 4.11 -1.26 -2.16 114.58 115.80 3khk h GLU 55 Ca 0.05 -0.82 0.10 0.00 0.07 0.00 0.00 59.36 58.77 3khk h GLU 55 Cb 0.79 0.28 -0.10 0.00 0.50 0.00 0.00 28.75 30.22 3khk h GLU 55 CO 0.06 1.38 -0.19 -0.07 0.07 0.00 0.00 179.01 180.26 3khk h LEU 56 N 0.21 -0.67 -0.39 3.06 3.38 -1.19 2.00 115.31 121.71 3khk h LEU 56 Ca -0.20 0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3khk h LEU 56 Cb 2.00 0.39 -0.04 0.00 0.09 0.00 0.00 40.66 43.11 3khk h LEU 56 CO 0.25 -0.22 0.18 0.74 0.09 0.00 0.00 178.44 179.47 3khk h THR 57 N -0.07 0.95 -0.79 0.22 2.02 -1.28 0.42 112.91 114.38 3khk h THR 57 Ca 0.25 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 3khk h THR 57 Cb 0.45 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3khk h THR 57 CO -0.57 0.07 0.31 -0.33 0.37 0.00 0.00 175.52 175.37 3khk h GLU 58 N 0.36 1.18 -0.55 6.66 4.39 -0.49 -3.11 114.58 123.02 3khk h GLU 58 Ca 0.17 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 3khk h GLU 58 Cb 0.10 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3khk h GLU 58 CO -0.14 0.96 0.12 -0.07 -1.16 0.00 0.00 179.01 178.72 3khk h LEU 59 N 1.15 0.84 -2.34 1.33 3.38 0.39 -2.63 115.31 117.43 3khk h LEU 59 Ca 0.26 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3khk h LEU 59 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3khk h LEU 59 CO -0.02 0.86 0.00 -0.26 0.09 0.00 0.00 178.44 179.11 3khk h PHE 60 N 0.78 0.00 0.00 1.13 0.04 -0.12 -3.02 116.94 115.75 3khk h PHE 60 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 3khk h PHE 60 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 3khk h PHE 60 CO 0.02 0.00 -0.48 1.04 -0.60 0.00 0.00 178.31 178.30 3khk n GLN 61 N -2.94 3.89 -2.41 1.51 6.02 -1.15 -0.85 117.38 121.46 3khk n GLN 61 Ca -0.02 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 3khk n GLN 61 Cb 0.13 -0.92 -0.03 0.00 1.02 0.00 0.00 30.24 30.43 3khk n GLN 61 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3khk s LYS 62 N -1.86 3.09 -0.94 -1.09 2.20 -1.00 -4.90 119.74 115.24 3khk s LYS 62 Ca 0.03 0.08 -0.20 0.00 -0.36 0.00 0.00 55.97 55.52 3khk s LYS 62 Cb 0.06 -4.21 -0.11 0.00 -1.51 0.00 0.00 37.83 32.06 3khk s LYS 62 CO 0.35 -2.23 2.01 -3.47 -0.36 0.00 0.00 175.35 171.65 3khk n ASP 63 N 10.14 2.94 -4.13 1.43 -0.08 -1.26 -4.70 116.55 120.89 3khk n ASP 63 Ca 0.09 -2.70 -0.33 0.00 -1.51 0.00 0.00 54.79 50.33 3khk n ASP 63 Cb 0.50 -1.24 -0.15 0.00 2.34 0.00 0.00 41.12 42.57 3khk n ASP 63 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3khk s ASP 64 N 4.52 4.26 0.00 1.67 2.15 -1.26 -4.98 116.67 123.03 3khk s ASP 64 Ca 0.55 -1.11 0.00 0.00 0.43 0.00 0.00 52.55 52.42 3khk s ASP 64 Cb 0.14 -1.59 0.00 0.00 -0.30 0.00 0.00 42.92 41.17 3khk s ASP 64 CO 0.06 -0.15 0.25 0.47 -0.17 0.00 0.00 175.17 175.63 3khk n ASP 65 N 4.56 0.00 0.00 -0.34 9.92 -1.26 0.15 116.55 129.57 3khk n ASP 65 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 3khk n ASP 65 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 3khk n ASP 65 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3khk n ASP 66 N -0.72 0.67 -4.55 -2.24 8.00 -1.26 -4.95 116.55 111.51 3khk n ASP 66 Ca 0.00 -1.14 -0.41 0.00 0.71 0.00 0.00 54.79 53.95 3khk n ASP 66 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3khk n ASP 66 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3khk s ASN 67 N -0.14 6.28 0.45 -2.24 2.47 0.38 -4.88 114.94 117.26 3khk s ASN 67 Ca 0.00 -0.83 0.17 0.00 0.42 0.00 0.00 52.86 52.62 3khk s ASN 67 Cb 0.00 -2.55 0.94 0.00 -1.45 0.00 0.00 41.25 38.18 3khk s ASN 67 CO 0.00 -1.70 1.46 0.40 -3.72 0.00 0.00 177.10 173.54 3khk h ILE 68 N 6.27 0.00 -0.09 -5.21 1.08 -1.93 -1.24 117.51 116.39 3khk h ILE 68 Ca -0.12 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 3khk h ILE 68 Cb 1.04 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 3khk h ILE 68 CO 1.32 0.00 0.00 -1.22 -0.69 0.00 0.00 178.15 177.56 3khk n TYR 69 N -2.33 0.08 -2.10 1.37 4.01 -1.26 -4.97 117.16 111.96 3khk n TYR 69 Ca -0.01 -0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.27 3khk n TYR 69 Cb 0.39 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.39 3khk n TYR 69 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3khk s TYR 70 N -1.88 2.80 -0.39 -0.72 5.04 -0.47 -4.07 117.35 117.65 3khk s TYR 70 Ca 0.29 0.67 -0.16 0.00 -2.44 0.00 0.00 57.07 55.43 3khk s TYR 70 Cb 0.20 -3.78 0.01 0.00 0.35 0.00 0.00 41.96 38.74 3khk s TYR 70 CO 0.30 -2.96 0.38 -0.51 -1.34 0.00 0.00 175.55 171.41 3khk s LEU 71 N 2.16 4.79 -0.24 6.97 1.43 -0.03 -5.04 118.68 128.72 3khk s LEU 71 Ca 0.68 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.89 3khk s LEU 71 Cb -0.36 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 3khk s LEU 71 CO 0.29 -0.47 1.35 -2.84 0.23 0.00 0.00 176.35 174.92 3khk s PRO 72 N 1.98 3.99 0.15 1.29 0.02 -1.26 -4.72 135.00 136.45 3khk s PRO 72 Ca 0.10 1.46 -0.17 0.00 0.02 0.00 0.00 61.00 62.41 3khk s PRO 72 Cb -0.17 -3.88 0.04 0.00 0.02 0.00 0.00 34.50 30.50 3khk s PRO 72 CO 0.12 -1.03 1.75 -0.09 -0.33 0.00 0.00 177.00 177.42 3khk h ARG 73 N 9.24 0.24 -0.12 5.54 1.12 -1.95 -1.79 114.38 126.66 3khk h ARG 73 Ca -0.28 -0.01 0.03 0.00 -1.11 0.00 0.00 59.98 58.61 3khk h ARG 73 Cb 1.11 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 31.01 3khk h ARG 73 CO 1.01 0.16 0.98 1.05 -3.11 0.00 0.00 179.97 180.06 3khk h GLU 74 N 0.25 0.00 -0.02 0.20 4.11 -2.01 0.18 114.58 117.29 3khk h GLU 74 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 3khk h GLU 74 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3khk h GLU 74 CO -0.15 0.00 -0.01 -0.25 0.07 0.00 0.00 179.01 178.67 3khk n ASP 75 N -2.61 2.12 -4.12 3.06 8.00 -0.67 -4.79 116.55 117.53 3khk n ASP 75 Ca 0.02 -1.69 -0.33 0.00 0.71 0.00 0.00 54.79 53.50 3khk n ASP 75 Cb 1.02 0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.98 3khk n ASP 75 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3khk s TYR 76 N -2.02 2.99 0.10 1.24 2.02 0.64 -5.03 117.35 117.29 3khk s TYR 76 Ca 0.33 -1.82 0.01 0.00 -0.37 0.00 0.00 57.07 55.22 3khk s TYR 76 Cb 0.20 -1.95 0.26 0.00 -0.40 0.00 0.00 41.96 40.07 3khk s TYR 76 CO 0.33 -0.81 0.49 -3.47 -1.57 0.00 0.00 175.55 170.52 3khk n ASP 77 N 4.58 -0.03 -3.92 2.29 2.03 -1.26 -4.73 116.55 115.51 3khk n ASP 77 Ca -0.18 0.53 -0.09 0.00 0.52 0.00 0.00 54.79 55.57 3khk n ASP 77 Cb 0.47 -0.20 -0.07 0.00 -0.72 0.00 0.00 41.12 40.60 3khk n ASP 77 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3khk s SER 78 N -4.99 0.00 0.12 1.67 1.04 -1.26 -5.05 113.70 105.24 3khk s SER 78 Ca -0.04 -0.79 -0.22 0.00 0.48 0.00 0.00 55.95 55.37 3khk s SER 78 Cb 0.09 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 3khk s SER 78 CO 0.25 -0.90 1.68 0.44 0.98 0.00 0.00 173.24 175.69 3khk h ASP 79 N 2.51 -0.36 -0.25 7.02 5.19 -1.99 -1.13 116.42 127.42 3khk h ASP 79 Ca -0.31 0.07 0.05 0.00 -0.62 0.00 0.00 57.03 56.21 3khk h ASP 79 Cb 1.23 0.17 -0.07 0.00 0.18 0.00 0.00 39.33 40.84 3khk h ASP 79 CO 0.47 -0.16 -0.49 -0.08 -3.12 0.00 0.00 179.24 175.87 3khk h GLU 80 N -0.15 -0.45 -0.57 3.56 4.81 -1.97 0.21 114.58 120.02 3khk h GLU 80 Ca 0.08 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 3khk h GLU 80 Cb 0.26 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.68 3khk h GLU 80 CO -0.19 -0.30 0.22 0.00 -0.73 0.00 0.00 179.01 178.01 3khk h ALA 81 N 0.04 0.73 -0.78 2.92 0.00 -1.90 0.40 119.26 120.66 3khk h ALA 81 Ca 0.08 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3khk h ALA 81 Cb 0.63 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3khk h ALA 81 CO -0.49 -0.19 0.38 -0.92 0.00 0.00 0.00 179.25 178.03 3khk h TYR 82 N 0.40 1.11 -0.01 0.00 3.20 -0.70 0.12 116.97 121.09 3khk h TYR 82 Ca 0.28 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3khk h TYR 82 Cb 0.33 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3khk h TYR 82 CO -0.16 0.81 -0.09 1.04 -1.64 0.00 0.00 178.16 178.11 3khk n GLN 83 N -4.32 0.90 0.11 1.82 1.13 0.70 -0.51 117.38 117.22 3khk n GLN 83 Ca 0.08 -0.35 0.07 0.00 -1.94 0.00 0.00 57.00 54.86 3khk n GLN 83 Cb 0.14 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 29.01 3khk n GLN 83 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 3khk h GLN 84 N 0.85 0.00 0.03 -1.09 4.15 0.29 -3.24 115.11 116.10 3khk h GLN 84 Ca 0.00 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 3khk h GLN 84 Cb 0.35 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.06 3khk h GLN 84 CO 0.00 0.14 -0.71 0.00 -1.93 0.00 0.00 178.83 176.33 3khk h ALA 85 N 1.78 0.05 -0.19 3.38 0.00 -0.06 -2.74 119.26 121.48 3khk h ALA 85 Ca -0.04 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.14 3khk h ALA 85 Cb 1.20 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3khk h ALA 85 CO 0.02 0.41 -0.40 0.82 0.00 0.00 0.00 179.25 180.10 3khk h ILE 86 N -0.07 1.30 -0.49 0.00 2.04 -0.97 -2.73 117.51 116.60 3khk h ILE 86 Ca -0.10 -1.54 -0.02 0.00 1.00 0.00 0.00 64.86 64.21 3khk h ILE 86 Cb 1.43 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 3khk h ILE 86 CO 0.14 0.47 0.22 0.00 0.00 0.00 0.00 178.15 178.98 3khk h ALA 87 N 1.22 0.63 0.00 1.87 0.00 -1.64 -2.59 119.26 118.74 3khk h ALA 87 Ca 0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3khk h ALA 87 Cb 0.86 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3khk h ALA 87 CO 0.07 0.21 -0.36 0.93 0.00 0.00 0.00 179.25 180.10 3khk h GLU 88 N 0.64 0.00 -0.05 0.00 5.08 -1.25 -2.87 114.58 116.13 3khk h GLU 88 Ca 0.16 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.38 3khk h GLU 88 Cb 0.15 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.41 3khk h GLU 88 CO -0.02 0.36 -0.55 0.93 -1.00 0.00 0.00 179.01 178.74 3khk h GLU 89 N 0.00 0.46 0.00 2.33 4.39 -1.46 -3.28 114.58 117.03 3khk h GLU 89 Ca -0.00 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3khk h GLU 89 Cb 0.77 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 3khk h GLU 89 CO 0.05 1.07 0.55 -0.07 -1.16 0.00 0.00 179.01 179.45 3khk h LEU 90 N 0.01 0.00 -1.17 1.33 3.38 -1.22 0.11 115.31 117.74 3khk h LEU 90 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3khk h LEU 90 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3khk h LEU 90 CO 0.11 0.00 -0.04 -0.62 0.09 0.00 0.00 178.44 177.98 3khk n GLU 91 N -2.61 1.74 -2.77 1.13 1.02 -1.22 -4.86 120.64 113.07 3khk n GLU 91 Ca -0.01 -1.17 -0.43 0.00 -0.02 0.00 0.00 57.16 55.53 3khk n GLU 91 Cb 0.58 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 3khk n GLU 91 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3khk s ILE 92 N -2.06 4.38 0.45 -3.67 1.01 0.38 -4.90 121.20 116.79 3khk s ILE 92 Ca 0.33 0.72 0.24 0.00 0.00 0.00 0.00 60.65 61.94 3khk s ILE 92 Cb 0.20 -4.51 0.44 0.00 0.01 0.00 0.00 42.46 38.60 3khk s ILE 92 CO 0.35 -0.97 1.82 1.23 0.00 0.00 0.00 174.94 177.37 3khk h GLY 93 N 10.87 0.70 0.23 6.18 0.00 -1.89 -1.99 103.07 117.18 3khk h GLY 93 Ca -0.24 -0.13 0.14 0.00 0.00 0.00 0.00 47.33 47.10 3khk h GLY 93 CO 1.07 -0.06 0.37 -0.55 0.00 0.00 0.00 176.54 177.38 3khk h ASP 94 N 0.25 0.43 -0.16 0.19 5.19 -1.97 -0.98 116.42 119.37 3khk h ASP 94 Ca 0.53 0.09 0.05 0.00 -0.62 0.00 0.00 57.03 57.08 3khk h ASP 94 Cb 1.61 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 41.14 3khk h ASP 94 CO -0.16 0.19 0.14 1.88 -3.12 0.00 0.00 179.24 178.16 3khk h TYR 95 N 0.55 0.00 0.00 4.55 0.05 -1.74 -2.26 116.97 118.12 3khk h TYR 95 Ca 0.43 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.21 3khk h TYR 95 Cb 0.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.34 3khk h TYR 95 CO -0.12 0.00 -0.14 1.88 -1.05 0.00 0.00 178.16 178.73 3khk h TYR 96 N 0.00 0.00 -0.29 4.88 0.05 -1.36 -3.40 116.97 116.85 3khk h TYR 96 Ca 0.07 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.90 3khk h TYR 96 Cb 0.36 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.05 3khk h TYR 96 CO 0.00 0.00 -0.11 2.41 -1.05 0.00 0.00 178.16 179.41 3khk n THR 97 N -3.23 -0.15 0.21 -2.88 -1.04 -0.85 0.13 114.28 106.47 3khk n THR 97 Ca -0.02 0.68 0.02 0.00 -2.04 0.00 0.00 64.05 62.69 3khk n THR 97 Cb 0.07 -0.90 0.11 0.00 -1.82 0.00 0.00 70.33 67.80 3khk n THR 97 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3khk n GLU 98 N -4.43 0.07 -0.41 -2.82 0.28 -0.87 -1.04 120.64 111.43 3khk n GLU 98 Ca 0.03 0.23 0.05 0.00 -0.16 0.00 0.00 57.16 57.30 3khk n GLU 98 Cb 0.12 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 31.56 3khk n GLU 98 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3khk n LYS 99 N -1.26 0.65 -0.57 3.44 4.76 0.35 -4.98 118.16 120.54 3khk n LYS 99 Ca 0.02 -1.91 0.00 0.00 -2.87 0.00 0.00 58.31 53.56 3khk n LYS 99 Cb 0.03 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 3khk n LYS 99 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3khk n ASN 100 N -0.64 -1.46 -4.73 4.39 4.13 -0.20 -4.93 115.26 111.82 3khk n ASN 100 Ca 0.09 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.93 3khk n ASN 100 Cb 0.71 -2.49 -0.04 0.00 -1.54 0.00 0.00 39.78 36.42 3khk n ASN 100 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3khk s VAL 101 N -0.89 4.15 0.13 2.41 1.01 -1.19 -4.93 120.40 121.08 3khk s VAL 101 Ca 0.00 1.81 -0.19 0.00 0.00 0.00 0.00 61.98 63.60 3khk s VAL 101 Cb 0.00 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 3khk s VAL 101 CO 0.00 0.29 0.61 -0.36 0.00 0.00 0.00 175.10 175.64 3khk s PHE 102 N -0.08 3.74 0.28 5.22 0.08 -1.26 -3.63 117.98 122.32 3khk s PHE 102 Ca 0.49 1.27 -0.29 0.00 0.12 0.00 0.00 56.93 58.51 3khk s PHE 102 Cb -0.27 -2.51 -0.10 0.00 -0.57 0.00 0.00 43.02 39.58 3khk s PHE 102 CO 0.32 0.50 1.28 -0.46 -0.10 0.00 0.00 175.22 176.76 3khk s TRP 103 N -1.28 3.21 -0.26 0.36 -0.11 -1.26 -4.67 118.94 114.93 3khk s TRP 103 Ca 0.34 1.38 -0.01 0.00 1.22 0.00 0.00 56.10 59.04 3khk s TRP 103 Cb -0.18 -3.59 0.08 0.00 -1.50 0.00 0.00 33.47 28.27 3khk s TRP 103 CO 0.20 -1.68 0.03 0.08 -4.62 0.00 0.00 176.95 170.96 3khk s VAL 104 N -0.68 1.07 0.98 5.86 1.01 -1.26 -4.82 120.40 122.56 3khk s VAL 104 Ca 0.51 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 3khk s VAL 104 Cb -0.37 -1.61 0.07 0.00 0.00 0.00 0.00 36.38 34.46 3khk s VAL 104 CO 0.46 -0.39 0.45 -2.65 0.00 0.00 0.00 175.10 172.97 3khk n PRO 105 N 4.81 -0.59 0.10 2.72 -0.02 -1.26 -4.75 135.00 135.99 3khk n PRO 105 Ca -0.06 -0.13 0.19 0.00 -2.02 0.00 0.00 63.50 61.47 3khk n PRO 105 Cb 0.44 -1.90 0.75 0.00 -0.02 0.00 0.00 33.50 32.76 3khk n PRO 105 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3khk h LYS 106 N -1.72 0.00 -0.98 -0.52 1.57 -2.00 -0.78 116.57 112.14 3khk h LYS 106 Ca -0.46 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.67 3khk h LYS 106 Cb 1.29 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.30 3khk h LYS 106 CO 0.36 0.00 0.73 0.25 -0.57 0.00 0.00 179.45 180.22 3khk n THR 107 N -4.02 3.52 -1.58 -0.16 -2.24 -1.26 -4.08 114.28 104.45 3khk n THR 107 Ca 0.06 -2.93 0.00 0.00 -2.27 0.00 0.00 64.05 58.91 3khk n THR 107 Cb 0.51 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 3khk n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3khk n ALA 108 N -0.93 0.69 -2.70 6.98 0.00 -0.31 -3.87 120.51 120.37 3khk n ALA 108 Ca 0.61 -0.14 -0.40 0.00 0.00 0.00 0.00 53.44 53.50 3khk n ALA 108 Cb 0.77 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.18 3khk n ALA 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3khk s ARG 109 N 0.00 4.38 0.19 0.00 0.52 -1.18 -4.77 118.95 118.09 3khk s ARG 109 Ca 0.00 0.90 -0.22 0.00 -0.52 0.00 0.00 55.73 55.88 3khk s ARG 109 Cb 0.00 -3.49 0.11 0.00 0.52 0.00 0.00 34.95 32.08 3khk s ARG 109 CO 0.00 -0.06 1.57 2.35 0.02 0.00 0.00 175.30 179.18 3khk h TRP 110 N 6.98 -1.09 -0.60 -0.53 2.91 -1.87 -1.86 115.95 119.89 3khk h TRP 110 Ca -0.37 0.08 -0.04 0.00 1.13 0.00 0.00 58.89 59.69 3khk h TRP 110 Cb 1.18 0.57 -0.03 0.00 -0.51 0.00 0.00 29.16 30.37 3khk h TRP 110 CO 0.67 -0.40 0.23 -0.91 -1.03 0.00 0.00 178.44 177.00 3khk h ASN 111 N -0.16 0.81 -0.02 2.65 2.35 -1.96 -0.64 115.58 118.61 3khk h ASN 111 Ca 0.23 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3khk h ASN 111 Cb 0.56 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 3khk h ASN 111 CO -0.73 0.74 0.01 0.50 -1.65 0.00 0.00 177.43 176.30 3khk h LYS 112 N 0.87 0.02 -0.01 0.81 3.11 -1.70 0.84 116.57 120.52 3khk h LYS 112 Ca 0.20 -0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 58.00 3khk h LYS 112 Cb 0.19 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.41 3khk h LYS 112 CO -0.02 0.04 -0.21 -0.07 -2.81 0.00 0.00 179.45 176.38 3khk h LEU 113 N 0.01 0.01 -0.71 5.20 4.07 -1.32 0.52 115.31 123.08 3khk h LEU 113 Ca 0.01 -0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.83 3khk h LEU 113 Cb 0.02 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3khk h LEU 113 CO -0.00 0.22 -0.42 -0.09 -1.08 0.00 0.00 178.44 177.07 3khk h ARG 114 N 0.01 0.49 0.24 1.13 2.43 -0.18 -3.30 114.38 115.20 3khk h ARG 114 Ca 0.00 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 3khk h ARG 114 Cb 0.37 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3khk h ARG 114 CO 0.03 0.83 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.76 3khk h ASP 115 N 0.41 -0.27 -0.07 -3.80 3.32 0.20 -3.37 116.42 112.84 3khk h ASP 115 Ca 0.03 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.84 3khk h ASP 115 Cb 0.91 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3khk h ASP 115 CO 0.08 0.22 -0.03 0.52 -1.72 0.00 0.00 179.24 178.31 3khk n VAL 116 N -5.01 -0.04 -2.19 -1.35 0.31 0.05 -5.09 118.33 105.01 3khk n VAL 116 Ca -0.08 0.16 -0.43 0.00 -0.01 0.00 0.00 64.34 63.98 3khk n VAL 116 Cb 0.26 -0.20 -0.02 0.00 -0.91 0.00 0.00 33.84 32.96 3khk n VAL 116 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3khk s ILE 117 N -5.05 3.86 1.03 2.52 1.09 -1.26 -5.13 121.20 118.26 3khk s ILE 117 Ca -0.01 1.02 -0.15 0.00 -1.10 0.00 0.00 60.65 60.41 3khk s ILE 117 Cb 0.01 -3.73 0.21 0.00 -1.06 0.00 0.00 42.46 37.89 3khk s ILE 117 CO 0.05 -0.17 1.14 -0.94 -0.10 0.00 0.00 174.94 174.91 3khk s SER 138 N 3.11 2.41 0.12 3.58 1.04 -1.26 -5.19 113.70 117.51 3khk s SER 138 Ca 0.66 0.84 -0.23 0.00 0.48 0.00 0.00 55.95 57.71 3khk s SER 138 Cb -0.27 -1.29 -0.05 0.00 0.10 0.00 0.00 66.02 64.51 3khk s SER 138 CO 0.24 -3.23 1.68 0.58 0.98 0.00 0.00 173.24 173.50 3khk h VAL 139 N -1.96 0.67 -0.51 5.02 2.07 -1.99 0.36 116.25 119.91 3khk h VAL 139 Ca -0.50 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.12 3khk h VAL 139 Cb 1.31 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 31.67 3khk h VAL 139 CO 0.50 0.00 0.04 0.28 0.02 0.00 0.00 177.57 178.41 3khk h SER 140 N -0.18 -0.14 0.30 0.57 0.02 -1.97 -2.60 113.55 109.54 3khk h SER 140 Ca 0.07 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3khk h SER 140 Cb 0.27 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3khk h SER 140 CO -0.17 -0.04 -0.30 -0.25 -1.14 0.00 0.00 176.83 174.93 3khk h TRP 141 N 0.16 0.00 -0.08 3.45 7.01 -1.56 -3.09 115.95 121.84 3khk h TRP 141 Ca 0.26 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.21 3khk h TRP 141 Cb 0.38 -0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.44 3khk h TRP 141 CO -0.29 0.30 -0.12 1.37 -2.79 0.00 0.00 178.44 176.92 3khk h LEU 142 N 0.00 0.24 -0.87 0.65 8.10 0.05 -0.94 115.31 122.53 3khk h LEU 142 Ca -0.00 -0.53 0.06 0.00 0.11 0.00 0.00 57.88 57.52 3khk h LEU 142 Cb 0.53 -0.07 -0.06 0.00 -0.44 0.00 0.00 40.66 40.62 3khk h LEU 142 CO 0.04 0.72 0.54 0.40 -4.11 0.00 0.00 178.44 176.03 3khk h ILE 143 N -0.24 1.04 0.00 0.15 2.04 -1.58 -1.05 117.51 117.86 3khk h ILE 143 Ca 0.01 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 3khk h ILE 143 Cb 0.67 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3khk h ILE 143 CO 0.03 0.18 -0.35 0.44 0.00 0.00 0.00 178.15 178.45 3khk h ASP 144 N 0.99 0.00 -0.42 1.72 5.19 -1.44 -1.68 116.42 120.78 3khk h ASP 144 Ca 0.38 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.66 3khk h ASP 144 Cb 0.18 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 3khk h ASP 144 CO -0.18 0.35 -0.26 -1.13 -3.12 0.00 0.00 179.24 174.90 3khk h ASN 145 N 0.00 0.95 -0.67 6.45 -0.00 0.10 0.10 115.58 122.52 3khk h ASN 145 Ca -0.00 -0.42 0.04 0.00 -0.00 0.00 0.00 56.30 55.91 3khk h ASN 145 Cb 0.63 -0.27 -0.05 0.00 -0.00 0.00 0.00 38.32 38.64 3khk h ASN 145 CO 0.04 1.17 0.40 0.00 -0.00 0.00 0.00 177.43 179.05 3khk h ALA 146 N 0.81 0.89 0.10 1.57 0.00 -1.05 0.15 119.26 121.72 3khk h ALA 146 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3khk h ALA 146 Cb 0.84 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3khk h ALA 146 CO 0.07 0.13 -0.05 0.74 0.00 0.00 0.00 179.25 180.15 3khk h PHE 147 N 0.77 -0.12 -0.17 0.00 0.04 -1.07 0.24 116.94 116.64 3khk h PHE 147 Ca 0.28 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.07 3khk h PHE 147 Cb 0.08 0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 3khk h PHE 147 CO -0.06 -0.04 -0.29 -0.44 -0.60 0.00 0.00 178.31 176.88 3khk h ASP 148 N -0.16 -0.96 -0.61 2.17 3.32 -0.55 -0.46 116.42 119.17 3khk h ASP 148 Ca -0.01 0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.24 3khk h ASP 148 Cb 0.13 0.39 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 3khk h ASP 148 CO 0.02 -0.23 0.41 0.44 -1.72 0.00 0.00 179.24 178.16 3khk h ASP 149 N -0.24 0.46 -0.53 6.45 3.32 -0.54 0.24 116.42 125.59 3khk h ASP 149 Ca 0.03 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 3khk h ASP 149 Cb 0.33 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3khk h ASP 149 CO -0.29 0.29 -0.03 0.40 -1.72 0.00 0.00 179.24 177.89 3khk h ILE 150 N 0.52 1.26 -0.10 0.35 2.04 -0.13 -1.49 117.51 119.96 3khk h ILE 150 Ca 0.27 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.93 3khk h ILE 150 Cb 0.39 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3khk h ILE 150 CO -0.08 0.41 -0.12 -0.33 0.00 0.00 0.00 178.15 178.04 3khk h GLU 151 N 0.90 0.26 -0.75 2.37 5.08 0.67 -2.13 114.58 120.97 3khk h GLU 151 Ca 0.16 -0.14 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3khk h GLU 151 Cb 0.57 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 3khk h GLU 151 CO 0.03 0.69 0.50 0.87 -1.00 0.00 0.00 179.01 180.10 3khk h LYS 152 N -0.16 0.62 0.00 2.33 1.57 -0.59 -2.40 116.57 117.94 3khk h LYS 152 Ca 0.01 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3khk h LYS 152 Cb 0.65 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3khk h LYS 152 CO 0.03 0.41 -0.55 0.00 -0.57 0.00 0.00 179.45 178.77 3khk h ALA 153 N 1.62 0.73 -3.62 3.86 0.00 -1.23 -3.45 119.26 117.18 3khk h ALA 153 Ca 0.35 -0.37 -0.61 0.00 0.00 0.00 0.00 54.91 54.28 3khk h ALA 153 Cb 0.50 -0.01 -0.38 0.00 0.00 0.00 0.00 17.79 17.90 3khk h ALA 153 CO -0.13 0.48 -0.78 -0.80 0.00 0.00 0.00 179.25 178.02 3khk s ASN 154 N -6.23 3.86 0.15 0.00 0.01 -0.81 -4.91 114.94 107.00 3khk s ASN 154 Ca 0.03 -1.21 -0.25 0.00 -0.71 0.00 0.00 52.86 50.72 3khk s ASN 154 Cb 0.07 -1.17 -0.00 0.00 0.41 0.00 0.00 41.25 40.57 3khk s ASN 154 CO 0.74 -0.25 1.60 -0.65 -1.51 0.00 0.00 177.10 177.04 3khk h PRO 155 N 7.96 -0.35 0.00 -0.60 0.11 -1.88 -1.06 132.00 136.18 3khk h PRO 155 Ca -0.17 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3khk h PRO 155 Cb 1.07 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3khk h PRO 155 CO 0.41 -0.23 0.17 1.63 -0.21 0.00 0.00 178.00 179.77 3khk n LYS 156 N -5.41 0.08 -0.21 1.05 5.02 -1.26 -2.37 118.16 115.05 3khk n LYS 156 Ca -0.02 0.54 0.06 0.00 -2.02 0.00 0.00 58.31 56.87 3khk n LYS 156 Cb 0.34 -1.94 0.17 0.00 -0.02 0.00 0.00 35.03 33.58 3khk n LYS 156 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3khk n LEU 157 N -1.94 3.06 -4.59 -0.35 4.32 -0.40 -4.89 117.00 112.21 3khk n LEU 157 Ca -0.01 -2.13 -0.43 0.00 -0.02 0.00 0.00 56.01 53.42 3khk n LEU 157 Cb 0.19 -0.27 -0.02 0.00 -1.62 0.00 0.00 43.42 41.69 3khk n LEU 157 CO 0.05 0.72 1.15 -0.75 -1.22 0.00 0.00 177.39 177.35 3khk s LYS 158 N -1.24 3.58 -0.19 3.23 2.47 -1.00 -2.96 119.74 123.63 3khk s LYS 158 Ca 0.26 0.65 0.00 0.00 -1.56 0.00 0.00 55.97 55.32 3khk s LYS 158 Cb 0.15 -4.00 0.00 0.00 -1.46 0.00 0.00 37.83 32.52 3khk s LYS 158 CO 0.15 -1.57 0.00 0.41 0.16 0.00 0.00 175.35 174.50 3khk n GLY 159 N 5.03 0.53 0.16 5.54 0.00 -1.26 -4.91 105.19 110.28 3khk n GLY 159 Ca 0.13 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3khk n GLY 159 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3khk h ILE 160 N 0.00 0.00 -3.42 -0.61 2.04 -1.87 -3.47 117.51 110.18 3khk h ILE 160 Ca -0.04 -1.00 -0.61 0.00 1.00 0.00 0.00 64.86 64.22 3khk h ILE 160 Cb 0.20 1.72 -0.13 0.00 -0.74 0.00 0.00 36.82 37.87 3khk h ILE 160 CO 0.05 0.00 -0.46 -0.76 0.00 0.00 0.00 178.15 176.98 3khk s LEU 161 N -5.73 4.17 -0.01 1.44 1.43 -1.26 -4.60 118.68 114.11 3khk s LEU 161 Ca 0.03 0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.05 3khk s LEU 161 Cb 0.08 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 44.09 3khk s LEU 161 CO 0.74 0.11 1.52 0.20 0.23 0.00 0.00 176.35 179.14 3khk s ASN 162 N 0.71 6.75 0.77 2.29 0.01 -1.26 -5.03 114.94 119.18 3khk s ASN 162 Ca 0.09 2.20 -0.11 0.00 -0.71 0.00 0.00 52.86 54.33 3khk s ASN 162 Cb -0.12 -2.55 0.05 0.00 0.41 0.00 0.00 41.25 39.04 3khk s ASN 162 CO 0.02 -0.82 1.09 -0.13 -1.51 0.00 0.00 177.10 175.75 3khk s ARG 163 N 3.00 2.30 -0.07 -0.60 1.81 -1.26 -4.96 118.95 119.16 3khk s ARG 163 Ca 0.68 0.64 0.06 0.00 -1.72 0.00 0.00 55.73 55.39 3khk s ARG 163 Cb -0.33 -1.94 -0.09 0.00 -0.45 0.00 0.00 34.95 32.14 3khk s ARG 163 CO 0.28 -1.47 0.02 0.44 -0.68 0.00 0.00 175.30 173.88 3khk n ILE 164 N -3.33 0.50 0.02 1.52 -5.35 -1.26 -4.67 119.36 106.79 3khk n ILE 164 Ca 0.07 -0.30 0.01 0.00 -0.27 0.00 0.00 62.75 62.26 3khk n ILE 164 Cb 0.56 -0.81 0.05 0.00 -1.74 0.00 0.00 39.64 37.70 3khk n ILE 164 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3khk n SER 165 N -2.30 0.04 -0.22 7.28 7.64 -1.26 -2.25 113.62 122.55 3khk n SER 165 Ca -0.12 0.52 -0.04 0.00 1.01 0.00 0.00 58.87 60.24 3khk n SER 165 Cb 0.73 -0.52 0.06 0.00 -1.01 0.00 0.00 64.21 63.47 3khk n SER 165 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3khk h GLN 166 N 0.00 0.73 -7.66 1.43 4.15 -2.00 -3.40 115.11 108.36 3khk h GLN 166 Ca 0.00 -0.04 -0.46 0.00 0.77 0.00 0.00 58.65 58.91 3khk h GLN 166 Cb 0.01 -0.17 0.12 0.00 0.21 0.00 0.00 27.48 27.65 3khk h GLN 166 CO 0.00 0.49 0.41 0.71 -1.93 0.00 0.00 178.83 178.51 3khk s TYR 167 N -6.12 2.61 -0.43 3.99 2.02 -0.95 -5.06 117.35 113.41 3khk s TYR 167 Ca -0.13 0.65 0.09 0.00 -0.37 0.00 0.00 57.07 57.31 3khk s TYR 167 Cb 0.14 -3.64 0.28 0.00 -0.40 0.00 0.00 41.96 38.34 3khk s TYR 167 CO 0.76 -2.01 0.62 1.04 -1.57 0.00 0.00 175.55 174.39 3khk n GLN 168 N -3.44 1.13 -2.81 -0.62 6.02 -1.26 -5.02 117.38 111.37 3khk n GLN 168 Ca 0.10 -3.52 -0.43 0.00 -0.01 0.00 0.00 57.00 53.14 3khk n GLN 168 Cb 0.61 -1.51 -0.04 0.00 1.02 0.00 0.00 30.24 30.32 3khk n GLN 168 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3khk s LEU 169 N -1.76 4.00 -0.18 1.08 2.96 -1.26 -4.94 118.68 118.58 3khk s LEU 169 Ca 0.38 0.61 -0.30 0.00 -0.22 0.00 0.00 54.13 54.60 3khk s LEU 169 Cb 0.22 -3.26 -0.14 0.00 0.50 0.00 0.00 46.19 43.51 3khk s LEU 169 CO -0.09 -0.84 0.92 -0.67 -1.32 0.00 0.00 176.35 174.35 3khk n ASP 170 N 6.73 0.44 -0.31 3.68 2.03 -1.26 -4.64 116.55 123.21 3khk n ASP 170 Ca 0.07 0.80 0.22 0.00 0.52 0.00 0.00 54.79 56.40 3khk n ASP 170 Cb 0.48 -0.61 0.42 0.00 -0.72 0.00 0.00 41.12 40.69 3khk n ASP 170 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3khk n ALA 171 N 1.93 0.73 -0.04 -1.67 0.00 -1.26 0.36 120.51 120.56 3khk n ALA 171 Ca 0.18 0.96 0.03 0.00 0.00 0.00 0.00 53.44 54.60 3khk n ALA 171 Cb 0.00 -0.84 0.37 0.00 0.00 0.00 0.00 19.45 18.98 3khk n ALA 171 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3khk h ASP 172 N 0.00 0.54 -0.03 0.00 3.04 -2.01 -2.75 116.42 115.22 3khk h ASP 172 Ca 0.68 -0.03 -0.24 0.00 -3.24 0.00 0.00 57.03 54.20 3khk h ASP 172 Cb 1.65 -0.14 0.01 0.00 -1.04 0.00 0.00 39.33 39.82 3khk h ASP 172 CO -0.78 0.43 -0.89 0.11 -2.04 0.00 0.00 179.24 176.07 3khk h LYS 173 N 0.63 0.71 -0.48 4.15 1.79 -0.40 -2.72 116.57 120.24 3khk h LYS 173 Ca 0.16 -0.65 -0.01 0.00 -2.18 0.00 0.00 60.65 57.97 3khk h LYS 173 Cb -0.01 0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 3khk h LYS 173 CO -0.03 1.25 0.27 -0.07 -1.08 0.00 0.00 179.45 179.79 3khk h LEU 174 N 0.45 0.60 0.14 2.94 3.38 -1.37 -0.70 115.31 120.75 3khk h LEU 174 Ca -0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3khk h LEU 174 Cb 1.52 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3khk h LEU 174 CO 0.18 0.52 -0.07 0.40 0.09 0.00 0.00 178.44 179.55 3khk h ILE 175 N 0.64 0.93 0.00 1.22 2.04 -1.50 0.45 117.51 121.29 3khk h ILE 175 Ca 0.17 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 3khk h ILE 175 Cb 0.05 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3khk h ILE 175 CO -0.03 0.07 -0.21 1.23 0.00 0.00 0.00 178.15 179.22 3khk h GLY 176 N -0.33 0.00 0.85 5.37 0.00 -1.43 0.23 103.07 107.76 3khk h GLY 176 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 3khk h GLY 176 CO 0.03 0.00 -0.30 -2.00 0.00 0.00 0.00 176.54 174.28 3khk h LEU 177 N 0.00 0.57 0.44 3.11 5.85 -0.73 -0.97 115.31 123.59 3khk h LEU 177 Ca -0.00 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 3khk h LEU 177 Cb 0.43 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3khk h LEU 177 CO 0.03 0.99 -0.45 0.40 -0.34 0.00 0.00 178.44 179.07 3khk h ILE 178 N 0.17 0.11 -0.99 4.05 1.08 0.11 -2.77 117.51 119.27 3khk h ILE 178 Ca 0.01 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.72 3khk h ILE 178 Cb 0.88 0.11 -0.08 0.00 -3.07 0.00 0.00 36.82 34.66 3khk h ILE 178 CO 0.07 0.00 0.65 0.78 -0.69 0.00 0.00 178.15 178.95 3khk h ASN 179 N -0.90 0.42 -0.30 1.72 2.35 -0.63 -1.17 115.58 117.07 3khk h ASN 179 Ca -0.04 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3khk h ASN 179 Cb 0.80 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 3khk h ASN 179 CO -0.07 0.12 0.20 -0.08 -1.65 0.00 0.00 177.43 175.96 3khk h GLU 180 N 0.40 0.36 -0.00 0.81 4.22 -0.87 -2.77 114.58 116.72 3khk h GLU 180 Ca 0.54 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.96 3khk h GLU 180 Cb 1.37 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3khk h GLU 180 CO -0.24 0.24 -0.41 1.19 -2.18 0.00 0.00 179.01 177.61 3khk n PHE 181 N -4.49 0.00 -3.04 0.92 3.72 -0.44 -4.66 117.46 109.46 3khk n PHE 181 Ca 0.02 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.97 3khk n PHE 181 Cb 0.09 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.40 3khk n PHE 181 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3khk s SER 182 N -2.80 6.30 0.00 4.37 0.01 -1.05 -4.77 113.70 115.76 3khk s SER 182 Ca 0.16 -1.53 0.00 0.00 1.31 0.00 0.00 55.95 55.89 3khk s SER 182 Cb 0.18 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 64.08 3khk s SER 182 CO 0.63 -1.14 0.00 0.18 0.41 0.00 0.00 173.24 173.32 3khk n LEU 183 N 6.49 0.00 -0.03 2.44 4.77 -1.26 -5.01 117.00 124.40 3khk n LEU 183 Ca -0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 3khk n LEU 183 Cb 0.44 0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.63 3khk n LEU 183 CO 0.56 -0.40 -0.76 0.35 -1.33 0.00 0.00 177.39 175.81 3khk n THR 184 N -2.20 1.63 -1.61 -5.08 -2.24 -1.26 -5.26 114.28 98.25 3khk n THR 184 Ca 0.00 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 3khk n THR 184 Cb 0.00 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 3khk n THR 184 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3khk n SER 185 N -3.17 -8.61 0.00 3.42 7.64 -1.26 -5.26 113.62 106.38 3khk n SER 185 Ca -0.26 1.23 0.00 0.00 1.01 0.00 0.00 58.87 60.85 3khk n SER 185 Cb 1.06 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.61 3khk n SER 185 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3khk n SER 200 N -0.43 0.00 -0.24 6.43 2.88 -1.26 -5.08 113.62 115.93 3khk n SER 200 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 3khk n SER 200 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 3khk n SER 200 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3khk n LYS 201 N 0.00 -0.08 0.26 -1.46 5.02 -1.26 0.36 118.16 121.00 3khk n LYS 201 Ca 0.00 1.00 0.15 0.00 -2.02 0.00 0.00 58.31 57.44 3khk n LYS 201 Cb 0.00 -1.50 0.80 0.00 -0.02 0.00 0.00 35.03 34.31 3khk n LYS 201 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 3khk h ASP 202 N 0.00 0.00 0.20 4.39 2.03 -2.00 -2.65 116.42 118.39 3khk h ASP 202 Ca 0.29 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.58 3khk h ASP 202 Cb 0.45 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 3khk h ASP 202 CO -0.66 0.00 -0.10 0.40 -1.03 0.00 0.00 179.24 177.85 3khk h ILE 203 N 0.00 0.53 0.00 4.15 2.04 0.58 -3.32 117.51 121.50 3khk h ILE 203 Ca 0.00 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 3khk h ILE 203 Cb 0.29 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3khk h ILE 203 CO 0.00 0.15 -0.00 -0.07 0.00 0.00 0.00 178.15 178.23 3khk h LEU 204 N -0.97 0.00 -0.62 1.44 3.38 -1.49 0.14 115.31 117.19 3khk h LEU 204 Ca -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3khk h LEU 204 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3khk h LEU 204 CO 0.05 0.00 -0.44 1.23 0.09 0.00 0.00 178.44 179.37 3khk h GLY 205 N 0.19 0.64 0.95 0.83 0.00 -1.64 -1.15 103.07 102.88 3khk h GLY 205 Ca -0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 47.33 46.42 3khk h GLY 205 CO 0.00 0.60 -1.07 0.84 0.00 0.00 0.00 176.54 176.91 3khk h HIS 206 N 0.47 0.76 -0.11 5.60 -0.00 -0.85 -2.86 115.15 118.17 3khk h HIS 206 Ca 0.03 -0.53 0.04 0.00 -0.00 0.00 0.00 60.37 59.91 3khk h HIS 206 Cb 0.96 -0.04 -0.06 0.00 -0.00 0.00 0.00 27.41 28.26 3khk h HIS 206 CO 0.04 1.40 -0.43 0.28 -0.00 0.00 0.00 177.93 179.22 3khk h VAL 207 N -0.10 0.13 -0.59 5.26 2.07 -1.38 1.18 116.25 122.83 3khk h VAL 207 Ca -0.18 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.46 3khk h VAL 207 Cb 1.82 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 31.62 3khk h VAL 207 CO 0.20 0.00 -0.01 0.22 0.02 0.00 0.00 177.57 178.00 3khk h TYR 208 N -0.52 -0.05 0.78 1.57 3.20 -1.35 0.67 116.97 121.28 3khk h TYR 208 Ca 0.07 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 3khk h TYR 208 Cb 0.64 0.11 0.01 0.00 1.54 0.00 0.00 36.73 39.03 3khk h TYR 208 CO -0.48 -0.16 -0.37 0.93 -1.64 0.00 0.00 178.16 176.44 3khk h GLU 209 N 0.11 -1.01 -0.54 1.82 5.08 -1.00 -1.25 114.58 117.79 3khk h GLU 209 Ca 0.30 0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.79 3khk h GLU 209 Cb 0.48 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 29.87 3khk h GLU 209 CO -0.50 -0.66 -0.55 -0.92 -1.00 0.00 0.00 179.01 175.37 3khk h TYR 210 N -1.08 -1.69 -0.61 4.33 3.20 0.17 -0.83 116.97 120.46 3khk h TYR 210 Ca -0.11 0.09 0.14 0.00 3.14 0.00 0.00 58.73 61.99 3khk h TYR 210 Cb 0.81 0.81 -0.03 0.00 1.54 0.00 0.00 36.73 39.85 3khk h TYR 210 CO -0.01 -0.46 0.42 0.74 -1.64 0.00 0.00 178.16 177.21 3khk h PHE 211 N -0.30 0.25 -0.25 -3.82 -1.00 0.44 -2.70 116.94 109.56 3khk h PHE 211 Ca 0.10 0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.76 3khk h PHE 211 Cb 0.56 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 40.04 3khk h PHE 211 CO -0.78 0.10 -0.36 1.25 -1.61 0.00 0.00 178.31 176.91 3khk h LEU 212 N 0.22 0.75 0.25 1.54 5.85 0.09 -2.58 115.31 121.43 3khk h LEU 212 Ca 0.29 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3khk h LEU 212 Cb 0.85 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3khk h LEU 212 CO -0.06 1.12 -0.14 1.23 -0.34 0.00 0.00 178.44 180.25 3khk h GLY 213 N 0.41 -0.54 -0.90 3.75 0.00 -1.23 -3.20 103.07 101.35 3khk h GLY 213 Ca 0.03 0.22 0.28 0.00 0.00 0.00 0.00 47.33 47.85 3khk h GLY 213 CO 0.08 -0.19 0.12 -1.06 0.00 0.00 0.00 176.54 175.49 3khk n GLN 214 N -3.09 -0.07 0.12 4.80 1.13 -1.14 0.72 117.38 119.85 3khk n GLN 214 Ca -0.04 1.33 0.02 0.00 -1.94 0.00 0.00 57.00 56.37 3khk n GLN 214 Cb 0.15 -2.17 0.37 0.00 0.11 0.00 0.00 30.24 28.70 3khk n GLN 214 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 3khk h PHE 215 N 0.00 0.24 0.13 1.08 0.04 -1.51 -1.62 116.94 115.29 3khk h PHE 215 Ca 0.59 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.33 3khk h PHE 215 Cb 1.32 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.40 3khk h PHE 215 CO -0.37 0.39 -0.06 0.00 -0.60 0.00 0.00 178.31 177.67 3khk h ALA 216 N 1.62 -0.17 -0.90 2.45 0.00 0.31 -1.95 119.26 120.62 3khk h ALA 216 Ca 0.04 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 54.86 3khk h ALA 216 Cb 0.43 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.13 3khk h ALA 216 CO 0.03 -0.29 -0.30 1.28 0.00 0.00 0.00 179.25 179.97 3khk n LEU 217 N -4.90 -0.48 0.01 0.00 4.77 -0.84 0.26 117.00 115.82 3khk n LEU 217 Ca -0.08 1.55 -0.18 0.00 -0.03 0.00 0.00 56.01 57.27 3khk n LEU 217 Cb 0.27 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 3khk n LEU 217 CO 0.28 -1.43 0.18 0.00 -1.33 0.00 0.00 177.39 175.08 3khk h ALA 218 N 1.46 0.23 0.00 -1.18 0.00 -1.31 -2.47 119.26 115.99 3khk h ALA 218 Ca 0.36 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3khk h ALA 218 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3khk h ALA 218 CO -0.90 0.69 0.00 -0.85 0.00 0.00 0.00 179.25 178.19 3khk n GLU 219 N -3.89 0.24 -0.59 0.00 0.28 -0.73 -4.88 120.64 111.08 3khk n GLU 219 Ca -0.09 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 3khk n GLU 219 Cb 0.82 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.19 3khk n GLU 219 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3khk n GLY 220 N 1.02 0.71 3.69 -1.84 0.00 0.14 -4.96 105.19 103.96 3khk n GLY 220 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3khk n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3khk s LYS 221 N -0.40 4.43 0.16 1.61 -2.85 -1.23 -4.98 119.74 116.48 3khk s LYS 221 Ca 0.00 1.47 0.09 0.00 -1.00 0.00 0.00 55.97 56.54 3khk s LYS 221 Cb 0.00 -3.52 -0.04 0.00 -2.06 0.00 0.00 37.83 32.21 3khk s LYS 221 CO 0.00 -0.30 -0.15 -0.65 0.10 0.00 0.00 175.35 174.35 3khk s GLN 222 N 1.85 1.87 0.00 1.78 -0.21 -1.26 -4.74 119.66 118.94 3khk s GLN 222 Ca 0.51 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 54.60 3khk s GLN 222 Cb -0.21 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.72 3khk s GLN 222 CO 0.21 0.44 0.00 0.41 -2.12 0.00 0.00 175.29 174.23 3khk n GLY 223 N 0.34 1.45 0.19 3.09 0.00 0.95 -4.81 105.19 106.39 3khk n GLY 223 Ca -0.13 -2.16 0.08 0.00 0.00 0.00 0.00 46.02 43.81 3khk n GLY 223 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3khk h GLY 224 N 0.00 0.00 2.00 -0.02 0.00 -1.73 -2.56 103.07 100.76 3khk h GLY 224 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3khk h GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3khk n GLN 225 N -3.21 0.13 -0.01 4.80 0.00 -1.24 -3.61 117.38 114.23 3khk n GLN 225 Ca 0.02 0.33 -0.04 0.00 0.00 0.00 0.00 57.00 57.32 3khk n GLN 225 Cb 0.57 -1.73 -0.01 0.00 0.00 0.00 0.00 30.24 29.07 3khk n GLN 225 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3khk n TYR 226 N -1.97 0.00 -3.67 2.61 4.01 -1.21 -4.37 117.16 112.56 3khk n TYR 226 Ca 0.03 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.66 3khk n TYR 226 Cb 0.23 -0.22 -0.09 0.00 -0.31 0.00 0.00 39.34 38.96 3khk n TYR 226 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3khk s TYR 227 N -2.38 -0.76 -0.12 -0.72 5.04 -0.97 -3.51 117.35 113.93 3khk s TYR 227 Ca -0.13 1.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.17 3khk s TYR 227 Cb 0.02 0.36 -0.01 0.00 0.35 0.00 0.00 41.96 42.67 3khk s TYR 227 CO 0.19 -0.38 -0.14 0.99 -1.34 0.00 0.00 175.55 174.87 3khk s THR 228 N 0.98 3.01 0.28 4.34 2.01 -1.26 -4.28 115.64 120.72 3khk s THR 228 Ca -0.05 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 3khk s THR 228 Cb -0.05 -2.25 -0.11 0.00 0.01 0.00 0.00 72.50 70.09 3khk s THR 228 CO -0.09 0.53 1.57 -2.84 -0.69 0.00 0.00 174.62 173.11 3khk s PRO 229 N 0.27 4.14 0.21 4.92 0.02 -1.26 -4.77 135.00 138.54 3khk s PRO 229 Ca -0.10 2.54 -0.12 0.00 0.02 0.00 0.00 61.00 63.34 3khk s PRO 229 Cb -0.16 -3.04 0.27 0.00 0.02 0.00 0.00 34.50 31.59 3khk s PRO 229 CO 0.06 -0.60 1.31 1.17 -0.33 0.00 0.00 177.00 178.60 3khk n LYS 230 N 2.24 -0.15 -0.34 5.54 4.81 -1.26 -1.34 118.16 127.66 3khk n LYS 230 Ca 0.08 1.30 0.05 0.00 -0.87 0.00 0.00 58.31 58.87 3khk n LYS 230 Cb 0.38 -1.93 0.21 0.00 0.02 0.00 0.00 35.03 33.71 3khk n LYS 230 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3khk h SER 231 N 0.00 0.86 0.60 3.14 4.64 -1.90 0.26 113.55 121.15 3khk h SER 231 Ca 0.33 0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 61.49 3khk h SER 231 Cb 0.54 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3khk h SER 231 CO -0.84 0.47 -0.91 0.40 -0.87 0.00 0.00 176.83 175.08 3khk h ILE 232 N 0.95 1.50 0.03 0.95 2.04 -1.54 0.83 117.51 122.28 3khk h ILE 232 Ca 0.46 -2.68 -0.25 0.00 1.00 0.00 0.00 64.86 63.39 3khk h ILE 232 Cb 0.42 2.51 0.01 0.00 -0.74 0.00 0.00 36.82 39.02 3khk h ILE 232 CO -0.25 0.78 -1.04 0.58 0.00 0.00 0.00 178.15 178.22 3khk h VAL 233 N 0.10 1.36 -0.35 1.67 2.07 -0.86 -2.44 116.25 117.79 3khk h VAL 233 Ca -0.05 -2.46 -0.06 0.00 0.82 0.00 0.00 66.70 64.96 3khk h VAL 233 Cb 1.55 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 33.80 3khk h VAL 233 CO 0.14 0.74 -0.01 0.74 0.02 0.00 0.00 177.57 179.20 3khk h THR 234 N 0.26 1.26 0.39 2.57 2.02 -0.56 -2.98 112.91 115.88 3khk h THR 234 Ca -0.11 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.05 3khk h THR 234 Cb 1.70 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 3khk h THR 234 CO 0.19 0.33 -0.19 0.25 0.37 0.00 0.00 175.52 176.47 3khk h LEU 235 N 0.44 -0.44 -1.85 2.58 5.85 -0.85 -2.53 115.31 118.50 3khk h LEU 235 Ca 0.10 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3khk h LEU 235 Cb 0.47 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3khk h LEU 235 CO 0.02 -0.24 0.19 0.40 -0.34 0.00 0.00 178.44 178.47 3khk h ILE 236 N -0.62 0.97 -0.08 4.05 2.04 -1.51 -2.62 117.51 119.73 3khk h ILE 236 Ca -0.05 -0.07 -0.18 0.00 1.00 0.00 0.00 64.86 65.56 3khk h ILE 236 Cb 0.46 0.76 0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3khk h ILE 236 CO 0.09 0.03 -0.67 0.58 0.00 0.00 0.00 178.15 178.18 3khk h VAL 237 N 0.19 1.34 0.00 1.67 2.07 -1.42 -2.82 116.25 117.29 3khk h VAL 237 Ca 0.12 -1.97 -0.04 0.00 0.82 0.00 0.00 66.70 65.62 3khk h VAL 237 Cb 0.23 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 3khk h VAL 237 CO -0.02 0.60 -0.21 -0.33 0.02 0.00 0.00 177.57 177.63 3khk h GLU 238 N 0.22 0.00 -0.08 1.57 4.39 -1.09 -0.95 114.58 118.64 3khk h GLU 238 Ca -0.06 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.46 3khk h GLU 238 Cb 1.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3khk h GLU 238 CO 0.14 0.21 -0.72 0.52 -1.16 0.00 0.00 179.01 178.00 3khk h MET 239 N 0.00 0.41 0.02 2.33 2.86 -1.45 -3.30 114.93 115.80 3khk h MET 239 Ca -0.00 -0.33 -0.24 0.00 -2.06 0.00 0.00 59.70 57.07 3khk h MET 239 Cb 0.39 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 3khk h MET 239 CO 0.03 0.97 -1.18 -0.07 1.06 0.00 0.00 176.91 177.71 3khk h LEU 240 N 0.28 0.08 -2.08 1.22 3.38 -1.21 -3.48 115.31 113.50 3khk h LEU 240 Ca -0.03 -0.10 -0.29 0.00 0.09 0.00 0.00 57.88 57.56 3khk h LEU 240 Cb 1.29 -0.03 0.19 0.00 0.09 0.00 0.00 40.66 42.20 3khk h LEU 240 CO 0.12 1.08 -0.81 -0.62 0.09 0.00 0.00 178.44 178.30 3khk n GLU 241 N -3.33 -4.24 -2.63 1.13 1.02 -0.39 -4.87 120.64 107.32 3khk n GLU 241 Ca -0.05 0.86 -0.42 0.00 -0.02 0.00 0.00 57.16 57.53 3khk n GLU 241 Cb 0.98 -5.83 -0.03 0.00 -0.02 0.00 0.00 31.44 26.53 3khk n GLU 241 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3khk s PRO 242 N -4.83 3.20 0.05 3.49 0.04 -1.26 -4.70 135.00 130.99 3khk s PRO 242 Ca 0.25 -0.46 0.15 0.00 0.04 0.00 0.00 61.00 60.98 3khk s PRO 242 Cb -0.03 -4.28 -0.15 0.00 0.04 0.00 0.00 34.50 30.08 3khk s PRO 242 CO 0.73 -2.07 0.84 1.88 0.04 0.00 0.00 177.00 178.42 3khk h TYR 243 N 9.89 0.00 -1.85 0.56 0.05 -1.97 -3.45 116.97 120.20 3khk h TYR 243 Ca -0.24 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.58 3khk h TYR 243 Cb 1.05 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 38.56 3khk h TYR 243 CO 1.10 0.70 0.16 0.21 -1.05 0.00 0.00 178.16 179.29 3khk s LYS 244 N -2.83 0.62 0.00 4.88 2.20 -1.26 -4.58 119.74 118.78 3khk s LYS 244 Ca -0.03 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 3khk s LYS 244 Cb 0.08 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 3khk s LYS 244 CO 0.81 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 176.09 3khk n GLY 245 N 3.78 0.36 3.60 5.54 0.00 -0.86 -4.97 105.19 112.65 3khk n GLY 245 Ca -0.18 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 3khk n GLY 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3khk s ARG 246 N -0.61 3.96 -0.18 1.61 0.52 -1.26 -1.69 118.95 121.30 3khk s ARG 246 Ca 0.00 -0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 54.87 3khk s ARG 246 Cb 0.00 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.80 3khk s ARG 246 CO 0.00 -0.16 -0.03 0.08 0.02 0.00 0.00 175.30 175.21 3khk s VAL 247 N 1.71 3.75 -0.01 3.52 1.01 -0.43 -1.09 120.40 128.86 3khk s VAL 247 Ca 0.07 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3khk s VAL 247 Cb -0.16 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.56 3khk s VAL 247 CO 0.10 0.45 -0.01 -0.47 0.00 0.00 0.00 175.10 175.18 3khk s TYR 248 N 0.84 0.18 -0.21 5.22 5.04 0.17 -1.32 117.35 127.27 3khk s TYR 248 Ca -0.01 -0.01 -0.04 0.00 -2.44 0.00 0.00 57.07 54.57 3khk s TYR 248 Cb -0.14 -0.16 0.07 0.00 0.35 0.00 0.00 41.96 42.08 3khk s TYR 248 CO 0.02 -0.03 0.10 0.34 -1.34 0.00 0.00 175.55 174.64 3khk s ASP 249 N 0.20 2.80 0.00 4.32 -1.08 -1.09 -0.32 116.67 121.50 3khk s ASP 249 Ca -0.02 -0.87 0.18 0.00 -0.52 0.00 0.00 52.55 51.32 3khk s ASP 249 Cb -0.04 -0.31 0.88 0.00 -1.46 0.00 0.00 42.92 41.99 3khk s ASP 249 CO -0.01 -0.38 1.53 -0.81 0.52 0.00 0.00 175.17 176.03 3khk n PRO 250 N 5.25 0.23 -2.92 4.34 -0.05 -1.26 -2.54 135.00 138.04 3khk n PRO 250 Ca -0.07 0.13 -0.13 0.00 -0.05 0.00 0.00 63.50 63.37 3khk n PRO 250 Cb 0.46 -1.50 0.02 0.00 -0.05 0.00 0.00 33.50 32.44 3khk n PRO 250 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3khk n ALA 251 N -1.31 0.24 0.35 0.55 0.00 -1.07 -4.39 120.51 114.88 3khk n ALA 251 Ca 0.08 -2.22 0.05 0.00 0.00 0.00 0.00 53.44 51.34 3khk n ALA 251 Cb 0.15 -1.10 0.21 0.00 0.00 0.00 0.00 19.45 18.71 3khk n ALA 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khk n MET 252 N 0.91 0.02 0.00 0.00 0.00 -0.40 -4.53 117.12 113.12 3khk n MET 252 Ca 0.14 0.32 0.00 0.00 0.00 0.00 0.00 57.70 58.15 3khk n MET 252 Cb 0.64 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.36 3khk n MET 252 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3khk n GLY 253 N -0.49 2.58 0.00 3.17 0.00 -1.24 0.75 105.19 109.96 3khk n GLY 253 Ca 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 46.02 45.73 3khk n GLY 253 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3khk n SER 254 N 0.25 0.00 0.00 1.61 3.41 -1.23 -4.58 113.62 113.08 3khk n SER 254 Ca 0.00 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 3khk n SER 254 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3khk n SER 254 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3khk n GLY 255 N 0.27 0.70 0.38 5.00 0.00 0.23 -3.66 105.19 108.11 3khk n GLY 255 Ca 0.05 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 45.74 3khk n GLY 255 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3khk h GLY 256 N 0.00 1.11 2.00 -0.02 0.00 -1.88 -2.27 103.07 102.01 3khk h GLY 256 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3khk h GLY 256 CO 0.00 0.03 0.00 0.74 0.00 0.00 0.00 176.54 177.31 3khk h PHE 257 N 0.56 0.00 0.04 5.60 0.04 -1.93 -2.77 116.94 118.48 3khk h PHE 257 Ca 0.47 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 61.09 3khk h PHE 257 Cb 0.94 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 3khk h PHE 257 CO -0.00 0.00 -0.80 0.74 -0.60 0.00 0.00 178.31 177.65 3khk h PHE 258 N 0.00 0.14 -0.59 -0.55 0.04 -1.80 -2.76 116.94 111.42 3khk h PHE 258 Ca 0.00 -0.10 0.12 0.00 2.80 0.00 0.00 57.97 60.79 3khk h PHE 258 Cb 0.52 -0.01 -0.11 0.00 2.20 0.00 0.00 35.95 38.55 3khk h PHE 258 CO 0.00 1.31 -0.08 0.28 -0.60 0.00 0.00 178.31 179.22 3khk h VAL 259 N -0.80 0.45 -0.55 -0.55 2.07 -1.54 -0.28 116.25 115.06 3khk h VAL 259 Ca -0.20 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3khk h VAL 259 Cb 1.32 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3khk h VAL 259 CO -0.05 0.01 0.17 -1.28 0.02 0.00 0.00 177.57 176.45 3khk h SER 260 N 0.05 0.75 0.08 0.57 0.87 -1.61 0.99 113.55 115.26 3khk h SER 260 Ca 0.30 -0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 3khk h SER 260 Cb 0.47 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 3khk h SER 260 CO -0.56 0.71 -0.39 0.28 -0.53 0.00 0.00 176.83 176.34 3khk h SER 261 N 0.80 0.43 0.40 6.23 0.02 -1.00 -0.74 113.55 119.69 3khk h SER 261 Ca 0.18 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3khk h SER 261 Cb 0.23 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3khk h SER 261 CO -0.01 0.78 -0.19 -0.78 -1.14 0.00 0.00 176.83 175.49 3khk h ASP 262 N 0.34 -0.46 -0.93 3.07 3.58 -0.33 -2.64 116.42 119.06 3khk h ASP 262 Ca 0.03 -0.12 0.27 0.00 0.42 0.00 0.00 57.03 57.63 3khk h ASP 262 Cb 0.84 0.12 -0.16 0.00 1.72 0.00 0.00 39.33 41.85 3khk h ASP 262 CO 0.07 -0.09 0.20 0.11 -2.88 0.00 0.00 179.24 176.65 3khk h LYS 263 N -0.89 0.11 -0.66 0.28 1.57 -0.76 -0.83 116.57 115.40 3khk h LYS 263 Ca -0.06 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 3khk h LYS 263 Cb 0.55 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 3khk h LYS 263 CO 0.09 0.07 0.08 0.35 -0.57 0.00 0.00 179.45 179.47 3khk h PHE 264 N 0.11 1.18 0.07 -1.35 3.57 -1.03 0.33 116.94 119.82 3khk h PHE 264 Ca 0.60 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.93 3khk h PHE 264 Cb 1.28 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 3khk h PHE 264 CO -0.32 1.00 -0.16 0.82 -2.23 0.00 0.00 178.31 177.42 3khk h ILE 265 N 1.02 0.00 -0.74 1.41 1.08 -0.79 -3.01 117.51 116.48 3khk h ILE 265 Ca 0.20 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.79 3khk h ILE 265 Cb 0.47 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.09 3khk h ILE 265 CO 0.02 0.00 -0.34 -0.33 -0.69 0.00 0.00 178.15 176.80 3khk h GLU 266 N -0.25 -0.09 0.00 2.37 5.08 -1.20 -1.42 114.58 119.07 3khk h GLU 266 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3khk h GLU 266 Cb 0.24 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3khk h GLU 266 CO -0.07 -0.06 0.00 1.63 -1.00 0.00 0.00 179.01 179.51 3khk n LYS 267 N -5.45 0.46 -0.12 2.33 4.76 0.08 -1.58 118.16 118.65 3khk n LYS 267 Ca 0.07 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.55 3khk n LYS 267 Cb 0.37 -1.27 0.06 0.00 -1.84 0.00 0.00 35.03 32.35 3khk n LYS 267 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3khk n HIS 268 N -0.77 0.00 0.08 2.13 8.25 -0.54 -4.78 115.22 119.59 3khk n HIS 268 Ca 0.06 -0.54 -0.07 0.00 -0.26 0.00 0.00 57.72 56.90 3khk n HIS 268 Cb 0.03 -0.08 0.06 0.00 1.12 0.00 0.00 29.99 31.11 3khk n HIS 268 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3khk h ALA 269 N 0.00 0.68 0.08 -1.41 0.00 -1.27 -2.76 119.26 114.57 3khk h ALA 269 Ca 0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 54.91 54.04 3khk h ALA 269 Cb 0.92 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.66 3khk h ALA 269 CO 0.00 0.80 -1.03 -0.91 0.00 0.00 0.00 179.25 178.10 3khk h ASN 270 N 0.18 0.77 0.31 0.00 2.35 -1.84 -3.15 115.58 114.20 3khk h ASN 270 Ca -0.02 -0.81 0.00 0.00 -0.55 0.00 0.00 56.30 54.91 3khk h ASN 270 Cb 1.29 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.42 3khk h ASN 270 CO 0.11 1.50 -0.27 0.52 -1.65 0.00 0.00 177.43 177.64 3khk n VAL 271 N -3.93 0.00 -0.04 2.81 0.31 -1.24 -4.06 118.33 112.18 3khk n VAL 271 Ca -0.13 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3khk n VAL 271 Cb 0.89 0.29 0.00 0.00 -0.91 0.00 0.00 33.84 34.11 3khk n VAL 271 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3khk n LYS 272 N -0.84 3.58 -2.69 5.55 4.76 -1.04 -5.06 118.16 122.42 3khk n LYS 272 Ca 0.11 -0.17 -0.08 0.00 -2.87 0.00 0.00 58.31 55.31 3khk n LYS 272 Cb 0.34 -0.63 0.03 0.00 -1.84 0.00 0.00 35.03 32.93 3khk n LYS 272 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3khk n HIS 273 N -0.56 -0.95 -4.38 2.13 8.25 -1.20 -5.06 115.22 113.46 3khk n HIS 273 Ca 0.00 0.38 -0.19 0.00 -0.26 0.00 0.00 57.72 57.65 3khk n HIS 273 Cb 0.01 -2.98 -0.10 0.00 1.12 0.00 0.00 29.99 28.04 3khk n HIS 273 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3khk s TYR 274 N -3.13 1.75 -0.35 4.41 -0.85 -1.20 -5.10 117.35 112.87 3khk s TYR 274 Ca 0.08 -1.02 -0.23 0.00 -0.52 0.00 0.00 57.07 55.38 3khk s TYR 274 Cb -0.04 -1.09 0.01 0.00 0.38 0.00 0.00 41.96 41.23 3khk s TYR 274 CO 0.28 -0.11 0.78 1.21 -1.52 0.00 0.00 175.55 176.20 3khk s ASN 275 N -3.40 6.57 0.17 -0.18 3.84 -1.26 -4.69 114.94 116.00 3khk s ASN 275 Ca 0.35 0.40 -0.26 0.00 0.21 0.00 0.00 52.86 53.57 3khk s ASN 275 Cb 0.08 -2.40 0.04 0.00 -0.55 0.00 0.00 41.25 38.42 3khk s ASN 275 CO 0.14 -0.71 1.56 0.00 -2.79 0.00 0.00 177.10 175.30 3khk h ALA 276 N 8.42 -0.32 0.00 1.71 0.00 -1.91 0.17 119.26 127.33 3khk h ALA 276 Ca -0.25 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3khk h ALA 276 Cb 1.09 1.05 0.00 0.00 0.00 0.00 0.00 17.79 19.93 3khk h ALA 276 CO 0.90 -0.83 0.00 1.03 0.00 0.00 0.00 179.25 180.35 3khk h SER 277 N -0.17 0.00 0.54 0.00 0.87 -1.98 0.31 113.55 113.12 3khk h SER 277 Ca 0.20 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.47 3khk h SER 277 Cb 0.55 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 3khk h SER 277 CO -0.77 0.00 -1.62 -0.33 -0.53 0.00 0.00 176.83 173.58 3khk h GLU 278 N 0.00 0.03 -0.04 2.24 4.39 -1.19 -3.36 114.58 116.64 3khk h GLU 278 Ca 0.00 -0.04 -0.25 0.00 0.34 0.00 0.00 59.36 59.41 3khk h GLU 278 Cb 0.25 0.02 0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3khk h GLU 278 CO 0.00 0.63 -0.96 1.96 -1.16 0.00 0.00 179.01 179.47 3khk h GLN 279 N 0.01 0.71 -0.88 2.33 1.08 0.12 -3.32 115.11 115.15 3khk h GLN 279 Ca -0.25 -0.70 0.16 0.00 -1.45 0.00 0.00 58.65 56.40 3khk h GLN 279 Cb 1.98 0.19 -0.15 0.00 -0.05 0.00 0.00 27.48 29.44 3khk h GLN 279 CO 0.09 1.29 -0.28 1.63 -0.95 0.00 0.00 178.83 180.61 3khk n LYS 280 N -3.87 -0.14 0.31 1.46 4.76 0.85 0.10 118.16 121.63 3khk n LYS 280 Ca -0.10 1.36 0.18 0.00 -2.87 0.00 0.00 58.31 56.89 3khk n LYS 280 Cb 0.84 -2.03 1.03 0.00 -1.84 0.00 0.00 35.03 33.03 3khk n LYS 280 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3khk h LYS 281 N 0.00 0.00 0.00 1.97 1.57 -1.72 -2.26 116.57 116.12 3khk h LYS 281 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3khk h LYS 281 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3khk h LYS 281 CO -0.89 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.03 3khk n GLN 282 N -3.53 0.13 -4.25 3.15 1.13 0.28 -4.66 117.38 109.64 3khk n GLN 282 Ca -0.03 0.06 -0.26 0.00 -1.94 0.00 0.00 57.00 54.84 3khk n GLN 282 Cb 0.10 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.87 3khk n GLN 282 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 3khk s ILE 283 N -2.85 3.53 -0.02 5.09 -4.36 -0.85 -2.03 121.20 119.71 3khk s ILE 283 Ca 0.16 -1.60 0.05 0.00 -0.26 0.00 0.00 60.65 59.00 3khk s ILE 283 Cb 0.17 -2.80 -0.01 0.00 1.25 0.00 0.00 42.46 41.07 3khk s ILE 283 CO 0.43 -0.18 -0.15 -0.94 0.24 0.00 0.00 174.94 174.34 3khk s SER 284 N -3.10 1.83 -0.20 4.36 1.04 -0.68 -4.95 113.70 112.00 3khk s SER 284 Ca 0.28 -0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.35 3khk s SER 284 Cb -0.08 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 3khk s SER 284 CO 0.18 0.18 0.07 -0.69 0.98 0.00 0.00 173.24 173.96 3khk s VAL 285 N -0.27 4.73 -0.04 5.02 1.01 -1.26 -1.32 120.40 128.27 3khk s VAL 285 Ca 0.04 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.01 3khk s VAL 285 Cb -0.07 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 3khk s VAL 285 CO -0.00 0.42 -0.16 -0.31 0.00 0.00 0.00 175.10 175.06 3khk s TYR 286 N 0.69 1.59 0.20 5.22 2.02 -0.43 0.76 117.35 127.39 3khk s TYR 286 Ca 0.04 -0.46 -0.10 0.00 -0.37 0.00 0.00 57.07 56.18 3khk s TYR 286 Cb -0.13 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.34 3khk s TYR 286 CO 0.02 -0.16 0.34 0.20 -1.57 0.00 0.00 175.55 174.38 3khk s GLY 287 N 0.10 0.58 -0.01 0.71 0.00 -0.31 -2.69 107.32 105.70 3khk s GLY 287 Ca -0.04 -0.94 -0.08 0.00 0.00 0.00 0.00 44.72 43.66 3khk s GLY 287 CO 0.02 -0.80 0.16 1.62 0.00 0.00 0.00 173.10 174.10 3khk s GLN 288 N -4.00 0.48 -0.06 2.90 0.74 -1.05 -4.17 119.66 114.50 3khk s GLN 288 Ca 0.21 -0.32 -0.11 0.00 0.05 0.00 0.00 55.36 55.20 3khk s GLN 288 Cb 0.02 0.20 0.02 0.00 1.10 0.00 0.00 33.01 34.36 3khk s GLN 288 CO 0.04 -0.11 0.26 -2.00 -0.55 0.00 0.00 175.29 172.93 3khk s GLU 289 N -1.24 0.45 -0.10 1.67 2.56 -1.26 -1.27 118.70 119.51 3khk s GLU 289 Ca -0.13 0.08 0.10 0.00 0.00 0.00 0.00 54.97 55.02 3khk s GLU 289 Cb -0.07 0.21 -0.24 0.00 2.00 0.00 0.00 34.13 36.03 3khk s GLU 289 CO 0.02 -0.09 0.44 -1.13 -0.56 0.00 0.00 175.26 173.94 3khk n SER 290 N 2.18 0.97 -4.67 -1.70 3.41 -1.20 -0.73 113.62 111.88 3khk n SER 290 Ca -0.17 0.27 -0.43 0.00 -0.26 0.00 0.00 58.87 58.28 3khk n SER 290 Cb 0.57 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 3khk n SER 290 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3khk s ASN 291 N -6.15 7.12 0.20 4.04 3.84 -1.26 -4.26 114.94 118.47 3khk s ASN 291 Ca -0.10 1.40 -0.11 0.00 0.21 0.00 0.00 52.86 54.26 3khk s ASN 291 Cb 0.07 -2.54 0.15 0.00 -0.55 0.00 0.00 41.25 38.39 3khk s ASN 291 CO 0.80 -0.59 1.86 1.55 -2.79 0.00 0.00 177.10 177.94 3khk h PRO 292 N 7.35 0.89 -0.30 0.43 0.13 -1.94 -0.89 132.00 137.68 3khk h PRO 292 Ca -0.23 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 64.90 3khk h PRO 292 Cb 1.09 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 31.97 3khk h PRO 292 CO 0.93 0.59 -0.05 1.15 -0.23 0.00 0.00 178.00 180.40 3khk h THR 293 N 0.92 0.73 -0.34 1.56 2.02 -2.00 -2.78 112.91 113.02 3khk h THR 293 Ca 0.26 -0.01 -0.12 0.00 0.77 0.00 0.00 66.41 67.32 3khk h THR 293 Cb -0.07 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3khk h THR 293 CO -0.07 0.01 -0.24 0.74 0.37 0.00 0.00 175.52 176.32 3khk h THR 294 N 0.03 1.29 -0.20 3.16 2.02 -1.73 -2.69 112.91 114.79 3khk h THR 294 Ca 0.14 -1.39 0.05 0.00 0.77 0.00 0.00 66.41 65.98 3khk h THR 294 Cb 0.21 1.44 -0.07 0.00 -1.74 0.00 0.00 68.15 67.99 3khk h THR 294 CO -0.28 0.45 -0.44 -0.25 0.37 0.00 0.00 175.52 175.37 3khk h TRP 295 N 0.54 -1.27 -0.48 3.16 7.01 -1.14 -1.65 115.95 122.12 3khk h TRP 295 Ca 0.07 0.05 0.09 0.00 2.11 0.00 0.00 58.89 61.21 3khk h TRP 295 Cb 0.80 0.58 -0.10 0.00 -2.10 0.00 0.00 29.16 28.34 3khk h TRP 295 CO 0.06 -0.48 -0.31 0.87 -2.79 0.00 0.00 178.44 175.80 3khk h LYS 296 N -0.46 -0.19 0.15 2.65 1.57 -1.47 0.02 116.57 118.84 3khk h LYS 296 Ca 0.08 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3khk h LYS 296 Cb 0.62 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 3khk h LYS 296 CO -0.45 -0.13 -0.32 -0.07 -0.57 0.00 0.00 179.45 177.92 3khk h LEU 297 N -0.19 -0.92 -0.85 2.94 3.38 -1.08 0.20 115.31 118.79 3khk h LEU 297 Ca 0.20 0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.49 3khk h LEU 297 Cb 0.53 0.34 -0.14 0.00 0.09 0.00 0.00 40.66 41.48 3khk h LEU 297 CO -0.59 -0.41 0.13 0.00 0.09 0.00 0.00 178.44 177.65 3khk h ALA 298 N 0.07 1.09 -0.18 1.53 0.00 -1.02 0.48 119.26 121.23 3khk h ALA 298 Ca 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3khk h ALA 298 Cb 0.58 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3khk h ALA 298 CO -0.17 -0.46 0.06 0.00 0.00 0.00 0.00 179.25 178.68 3khk h ALA 299 N 1.78 0.23 -0.64 0.00 0.00 0.95 0.21 119.26 121.78 3khk h ALA 299 Ca 0.51 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.40 3khk h ALA 299 Cb 0.98 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 3khk h ALA 299 CO -0.69 -0.16 0.24 0.52 0.00 0.00 0.00 179.25 179.16 3khk h MET 300 N 0.12 0.41 -0.91 0.00 2.07 0.70 0.18 114.93 117.49 3khk h MET 300 Ca 0.06 -0.02 0.02 0.00 -2.07 0.00 0.00 59.70 57.69 3khk h MET 300 Cb 0.21 -0.09 -0.05 0.00 -1.87 0.00 0.00 31.60 29.80 3khk h MET 300 CO -0.00 0.27 0.60 -0.97 1.07 0.00 0.00 176.91 177.87 3khk h ASN 301 N 0.42 1.01 0.18 1.22 -0.00 0.43 0.91 115.58 119.74 3khk h ASN 301 Ca 0.33 -0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.60 3khk h ASN 301 Cb 0.42 -0.24 0.00 0.00 -0.00 0.00 0.00 38.32 38.50 3khk h ASN 301 CO -0.33 0.71 -0.09 0.24 -0.00 0.00 0.00 177.43 177.97 3khk h MET 302 N 1.19 -0.23 -0.87 6.67 2.86 0.12 -2.51 114.93 122.16 3khk h MET 302 Ca 0.35 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 58.13 3khk h MET 302 Cb -0.07 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 31.56 3khk h MET 302 CO -0.10 0.03 0.48 0.28 1.06 0.00 0.00 176.91 178.67 3khk h VAL 303 N -0.48 0.82 -0.63 -2.22 2.07 -0.47 0.05 116.25 115.40 3khk h VAL 303 Ca -0.02 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 3khk h VAL 303 Cb 0.37 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3khk h VAL 303 CO 0.04 0.14 0.32 0.40 0.02 0.00 0.00 177.57 178.48 3khk h ILE 304 N 0.74 1.21 -0.46 4.57 2.04 -0.78 -2.90 117.51 121.93 3khk h ILE 304 Ca 0.45 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3khk h ILE 304 Cb 0.53 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3khk h ILE 304 CO -0.31 0.24 0.00 0.54 0.00 0.00 0.00 178.15 178.62 3khk n ARG 305 N -4.52 2.30 -3.57 2.37 5.12 -0.61 -4.87 116.66 112.88 3khk n ARG 305 Ca 0.04 -1.76 -0.23 0.00 -1.93 0.00 0.00 57.85 53.97 3khk n ARG 305 Cb 0.11 -1.46 0.05 0.00 -1.16 0.00 0.00 32.46 30.00 3khk n ARG 305 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3khk n GLY 306 N 1.14 -0.76 3.05 -0.13 0.00 -0.09 -5.00 105.19 103.39 3khk n GLY 306 Ca 0.16 0.36 -0.32 0.00 0.00 0.00 0.00 46.02 46.23 3khk n GLY 306 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khk s ILE 307 N -3.52 2.18 0.45 -0.61 1.01 -0.60 -5.02 121.20 115.07 3khk s ILE 307 Ca 0.29 -1.81 -0.25 0.00 0.00 0.00 0.00 60.65 58.88 3khk s ILE 307 Cb -0.07 -2.37 -0.09 0.00 0.01 0.00 0.00 42.46 39.94 3khk s ILE 307 CO 0.81 -0.18 1.26 0.47 0.00 0.00 0.00 174.94 177.30 3khk n ASP 308 N 4.39 2.44 -3.68 3.58 9.92 -1.26 -4.43 116.55 127.51 3khk n ASP 308 Ca -0.09 1.07 -0.14 0.00 -0.53 0.00 0.00 54.79 55.10 3khk n ASP 308 Cb 0.42 -1.50 -0.08 0.00 -0.64 0.00 0.00 41.12 39.32 3khk n ASP 308 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3khk s PHE 309 N -1.23 -0.32 -0.45 1.24 -0.12 -1.26 -4.38 117.98 111.46 3khk s PHE 309 Ca 0.63 0.48 -0.00 0.00 -0.05 0.00 0.00 56.93 57.99 3khk s PHE 309 Cb -0.49 0.20 0.12 0.00 -0.63 0.00 0.00 43.02 42.22 3khk s PHE 309 CO 0.56 -0.48 0.22 1.21 -0.05 0.00 0.00 175.22 176.69 3khk s ASN 310 N -1.41 5.02 -0.20 1.98 3.84 0.23 -4.95 114.94 119.45 3khk s ASN 310 Ca -0.12 -2.35 0.15 0.00 0.21 0.00 0.00 52.86 50.76 3khk s ASN 310 Cb -0.03 -1.76 0.69 0.00 -0.55 0.00 0.00 41.25 39.60 3khk s ASN 310 CO 0.05 -0.43 1.61 0.49 -2.79 0.00 0.00 177.10 176.02 3khk n PHE 311 N 4.11 1.57 -1.73 0.43 3.72 -1.26 -1.16 117.46 123.13 3khk n PHE 311 Ca 0.02 -0.77 0.00 0.00 -0.05 0.00 0.00 57.45 56.66 3khk n PHE 311 Cb 0.40 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 3khk n PHE 311 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khk n GLY 312 N 0.25 -2.34 0.22 1.37 0.00 -1.26 -4.40 105.19 99.03 3khk n GLY 312 Ca 0.25 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 3khk n GLY 312 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3khk h LYS 313 N 0.00 0.64 -2.97 1.61 3.64 -1.97 -3.47 116.57 114.04 3khk h LYS 313 Ca 0.00 -0.39 0.04 0.00 -1.27 0.00 0.00 60.65 59.03 3khk h LYS 313 Cb 0.00 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3khk h LYS 313 CO 0.00 1.00 0.26 -1.59 -2.27 0.00 0.00 179.45 176.85 3khk s LYS 314 N -4.07 1.93 0.35 1.90 -2.85 -1.26 -5.13 119.74 110.61 3khk s LYS 314 Ca -0.08 -1.15 -0.28 0.00 -1.00 0.00 0.00 55.97 53.46 3khk s LYS 314 Cb 0.11 0.60 -0.12 0.00 -2.06 0.00 0.00 37.83 36.37 3khk s LYS 314 CO 0.85 -0.89 1.44 0.27 0.10 0.00 0.00 175.35 177.11 3khk n ASN 315 N -0.84 3.44 -3.52 0.03 6.94 -1.26 -4.89 115.26 115.15 3khk n ASN 315 Ca -0.06 1.21 -0.05 0.00 -0.02 0.00 0.00 54.58 55.66 3khk n ASN 315 Cb 0.59 -1.57 -0.00 0.00 -2.36 0.00 0.00 39.78 36.45 3khk n ASN 315 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3khk s ALA 316 N -0.91 -1.35 -0.18 -2.53 0.00 0.09 -4.96 121.76 111.92 3khk s ALA 316 Ca 0.56 -0.26 -0.26 0.00 0.00 0.00 0.00 51.96 52.00 3khk s ALA 316 Cb -0.52 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 3khk s ALA 316 CO 0.61 -1.04 0.88 0.34 0.00 0.00 0.00 175.76 176.55 3khk s ASP 317 N -3.06 6.99 0.59 0.00 2.15 -1.26 -3.27 116.67 118.80 3khk s ASP 317 Ca 0.15 1.23 0.28 0.00 0.43 0.00 0.00 52.55 54.64 3khk s ASP 317 Cb -0.03 -2.48 1.74 0.00 -0.30 0.00 0.00 42.92 41.85 3khk s ASP 317 CO 0.06 -0.46 2.20 0.28 -0.17 0.00 0.00 175.17 177.08 3khk h SER 318 N 7.37 0.00 0.00 -0.34 0.02 -1.86 0.45 113.55 119.19 3khk h SER 318 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3khk h SER 318 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3khk h SER 318 CO 0.86 0.00 -0.06 -0.26 -1.14 0.00 0.00 176.83 176.24 3khk h PHE 319 N 0.00 0.00 -0.02 3.45 0.04 -1.97 -3.31 116.94 115.13 3khk h PHE 319 Ca 0.03 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 3khk h PHE 319 Cb 0.15 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3khk h PHE 319 CO 0.00 0.00 -0.12 -0.07 -0.60 0.00 0.00 178.31 177.52 3khk h LEU 320 N -0.29 0.03 -5.88 1.54 3.38 -1.93 -3.35 115.31 108.81 3khk h LEU 320 Ca 0.00 -0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3khk h LEU 320 Cb 0.06 -0.01 -0.40 0.00 0.09 0.00 0.00 40.66 40.40 3khk h LEU 320 CO 0.00 0.16 -1.08 0.47 0.09 0.00 0.00 178.44 178.08 3khk n ASP 321 N -4.37 1.46 -4.68 -0.43 8.00 0.16 -5.01 116.55 111.67 3khk n ASP 321 Ca -0.02 -3.10 -0.44 0.00 0.71 0.00 0.00 54.79 51.93 3khk n ASP 321 Cb 0.20 -0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 40.66 3khk n ASP 321 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3khk n ASP 322 N 0.31 3.81 0.09 -2.24 -0.08 -1.23 -4.43 116.55 112.79 3khk n ASP 322 Ca 0.26 0.98 0.12 0.00 -1.51 0.00 0.00 54.79 54.63 3khk n ASP 322 Cb 0.60 -1.49 0.02 0.00 2.34 0.00 0.00 41.12 42.59 3khk n ASP 322 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3khk n GLN 323 N 5.97 0.55 -3.23 -0.67 1.13 -1.26 -4.28 117.38 115.59 3khk n GLN 323 Ca 0.19 0.10 -0.25 0.00 -1.94 0.00 0.00 57.00 55.11 3khk n GLN 323 Cb 0.35 -1.78 -0.06 0.00 0.11 0.00 0.00 30.24 28.85 3khk n GLN 323 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3khk n HIS 324 N -2.55 1.97 0.35 1.08 8.25 -1.26 -4.86 115.22 118.20 3khk n HIS 324 Ca 0.00 -3.90 0.13 0.00 -0.26 0.00 0.00 57.72 53.70 3khk n HIS 324 Cb 0.53 -0.46 0.55 0.00 1.12 0.00 0.00 29.99 31.72 3khk n HIS 324 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3khk h PRO 325 N 3.73 0.00 -0.18 -0.41 0.13 -1.99 -2.65 132.00 130.63 3khk h PRO 325 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3khk h PRO 325 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3khk h PRO 325 CO 0.67 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.19 3khk n ASP 326 N -2.37 2.51 -4.65 1.44 10.43 -1.26 -4.98 116.55 117.68 3khk n ASP 326 Ca 0.01 -1.74 -0.43 0.00 2.57 0.00 0.00 54.79 55.21 3khk n ASP 326 Cb 0.21 -0.12 -0.02 0.00 1.84 0.00 0.00 41.12 43.03 3khk n ASP 326 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3khk s LEU 327 N -1.05 4.10 -0.55 0.64 2.96 -1.00 -4.94 118.68 118.84 3khk s LEU 327 Ca 0.20 1.68 -0.04 0.00 -0.22 0.00 0.00 54.13 55.75 3khk s LEU 327 Cb 0.12 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 43.42 3khk s LEU 327 CO 0.17 -0.93 0.38 -0.13 -1.32 0.00 0.00 176.35 174.52 3khk s ARG 328 N 3.91 2.45 0.61 1.98 0.52 -1.26 -4.47 118.95 122.69 3khk s ARG 328 Ca 0.61 -2.22 -0.06 0.00 -0.52 0.00 0.00 55.73 53.54 3khk s ARG 328 Cb -0.23 -3.76 0.01 0.00 0.52 0.00 0.00 34.95 31.49 3khk s ARG 328 CO 0.21 -1.15 0.93 0.00 0.02 0.00 0.00 175.30 175.30 3khk s ALA 329 N 0.50 3.26 -0.12 2.13 0.00 0.30 -4.27 121.76 123.55 3khk s ALA 329 Ca 0.13 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 3khk s ALA 329 Cb -0.21 -2.64 -0.24 0.00 0.00 0.00 0.00 23.12 20.02 3khk s ALA 329 CO -0.04 -0.86 0.35 -0.25 0.00 0.00 0.00 175.76 174.96 3khk n ASP 330 N -2.64 1.77 -4.02 0.00 8.00 -0.25 0.07 116.55 119.48 3khk n ASP 330 Ca 0.05 0.20 -0.26 0.00 0.71 0.00 0.00 54.79 55.50 3khk n ASP 330 Cb 0.58 -0.58 -0.17 0.00 -0.02 0.00 0.00 41.12 40.94 3khk n ASP 330 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3khk s PHE 331 N -2.56 1.59 -0.05 1.24 0.08 -0.32 0.95 117.98 118.92 3khk s PHE 331 Ca -0.20 -0.65 0.06 0.00 0.12 0.00 0.00 56.93 56.26 3khk s PHE 331 Cb 0.07 -1.17 -0.01 0.00 -0.57 0.00 0.00 43.02 41.34 3khk s PHE 331 CO 0.76 -0.34 -0.22 0.08 -0.10 0.00 0.00 175.22 175.40 3khk s VAL 332 N 0.83 1.81 -0.15 -0.44 1.01 -0.62 -0.65 120.40 122.19 3khk s VAL 332 Ca -0.11 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.80 3khk s VAL 332 Cb -0.15 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.74 3khk s VAL 332 CO 0.02 0.51 0.40 0.00 0.00 0.00 0.00 175.10 176.02 3khk s MET 333 N -0.17 0.44 0.25 2.72 0.23 0.56 -0.60 119.30 122.74 3khk s MET 333 Ca -0.01 0.59 -0.15 0.00 -1.03 0.00 0.00 55.69 55.09 3khk s MET 333 Cb -0.12 0.17 0.01 0.00 -1.53 0.00 0.00 34.83 33.36 3khk s MET 333 CO 0.02 -0.08 0.54 -0.08 -2.03 0.00 0.00 175.02 173.40 3khk s THR 334 N 0.45 0.01 -0.39 3.16 -1.32 -1.16 -4.00 115.64 112.38 3khk s THR 334 Ca -0.02 -1.23 0.01 0.00 -1.21 0.00 0.00 61.69 59.25 3khk s THR 334 Cb -0.04 -2.06 0.12 0.00 -1.51 0.00 0.00 72.50 69.01 3khk s THR 334 CO -0.02 -0.02 0.19 0.21 -2.21 0.00 0.00 174.62 172.77 3khk s ASN 335 N -2.97 3.76 0.76 8.08 2.47 -1.26 -2.78 114.94 122.99 3khk s ASN 335 Ca 0.18 -2.31 -0.11 0.00 0.42 0.00 0.00 52.86 51.03 3khk s ASN 335 Cb -0.02 -0.97 0.05 0.00 -1.45 0.00 0.00 41.25 38.86 3khk s ASN 335 CO 0.07 -0.31 1.08 -2.16 -3.72 0.00 0.00 177.10 172.06 3khk s PRO 336 N 0.76 2.38 0.27 0.43 0.04 -1.26 -3.28 135.00 134.35 3khk s PRO 336 Ca 0.15 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 3khk s PRO 336 Cb -0.22 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 3khk s PRO 336 CO -0.07 -1.45 1.48 -2.30 0.04 0.00 0.00 177.00 174.71 3khk n PRO 337 N -3.34 2.35 -2.65 0.56 -0.02 -1.26 -4.30 135.00 126.34 3khk n PRO 337 Ca 0.07 0.84 -0.37 0.00 -2.02 0.00 0.00 63.50 62.02 3khk n PRO 337 Cb 0.55 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 3khk n PRO 337 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3khk s PHE 338 N -0.14 3.48 -1.46 6.00 0.08 -1.26 -4.21 117.98 120.47 3khk s PHE 338 Ca 0.65 1.71 -0.09 0.00 0.12 0.00 0.00 56.93 59.32 3khk s PHE 338 Cb -0.57 -3.04 0.04 0.00 -0.57 0.00 0.00 43.02 38.87 3khk s PHE 338 CO 0.50 -0.24 0.85 0.09 -0.10 0.00 0.00 175.22 176.32 3khk n ASN 339 N 0.28 -5.56 -4.65 1.36 3.02 -1.26 -4.90 115.26 103.55 3khk n ASN 339 Ca 0.03 -0.49 -0.42 0.00 -0.03 0.00 0.00 54.58 53.67 3khk n ASN 339 Cb 0.50 -4.45 -0.03 0.00 -0.61 0.00 0.00 39.78 35.18 3khk n ASN 339 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3khk s MET 340 N -6.14 4.06 0.39 3.52 1.75 -1.26 -4.78 119.30 116.84 3khk s MET 340 Ca 0.49 2.37 0.05 0.00 -1.25 0.00 0.00 55.69 57.35 3khk s MET 340 Cb -0.23 -4.11 0.07 0.00 2.84 0.00 0.00 34.83 33.40 3khk s MET 340 CO 0.60 -1.03 0.54 1.63 -0.65 0.00 0.00 175.02 176.12 3khk n LYS 341 N 7.51 0.61 -0.55 4.11 5.02 -1.22 -1.82 118.16 131.82 3khk n LYS 341 Ca 0.20 -1.95 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 3khk n LYS 341 Cb 0.42 -0.22 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 3khk n LYS 341 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3khk n ASP 342 N -2.65 0.00 0.25 4.39 8.00 -1.26 -4.78 116.55 120.49 3khk n ASP 342 Ca 0.11 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.74 3khk n ASP 342 Cb 0.38 -1.73 0.53 0.00 -0.02 0.00 0.00 41.12 40.29 3khk n ASP 342 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 3khk h TRP 343 N 0.00 0.00 -3.91 1.24 5.08 -1.88 -3.46 115.95 113.02 3khk h TRP 343 Ca 0.00 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.44 3khk h TRP 343 Cb 0.00 0.00 0.08 0.00 -3.00 0.00 0.00 29.16 26.24 3khk h TRP 343 CO 0.00 0.11 0.67 -0.46 -1.28 0.00 0.00 178.44 177.48 3khk s TRP 344 N -3.62 2.86 0.02 0.12 -0.11 -1.26 -4.96 118.94 111.99 3khk s TRP 344 Ca 0.01 1.34 -0.03 0.00 1.22 0.00 0.00 56.10 58.65 3khk s TRP 344 Cb 0.09 -3.78 -0.02 0.00 -1.50 0.00 0.00 33.47 28.27 3khk s TRP 344 CO 0.60 -2.24 0.03 -1.01 -4.62 0.00 0.00 176.95 169.71 3khk s HIS 345 N -1.16 0.23 0.46 5.86 3.76 -1.26 -5.05 115.29 118.14 3khk s HIS 345 Ca 0.52 -0.51 0.21 0.00 -0.15 0.00 0.00 55.06 55.13 3khk s HIS 345 Cb -0.41 -0.17 1.30 0.00 1.11 0.00 0.00 32.58 34.40 3khk s HIS 345 CO 0.55 -0.27 2.07 0.93 -0.85 0.00 0.00 174.74 177.17 3khk h GLU 346 N 4.18 0.00 0.00 1.40 4.39 -2.00 -0.16 114.58 122.38 3khk h GLU 346 Ca -0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3khk h GLU 346 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3khk h GLU 346 CO 0.46 0.12 0.00 1.63 -1.16 0.00 0.00 179.01 180.06 3khk n LYS 347 N -4.03 0.54 -0.50 2.33 4.76 -1.26 -2.71 118.16 117.29 3khk n LYS 347 Ca -0.02 0.01 0.09 0.00 -2.87 0.00 0.00 58.31 55.52 3khk n LYS 347 Cb 0.21 -1.50 0.31 0.00 -1.84 0.00 0.00 35.03 32.20 3khk n LYS 347 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3khk n LEU 348 N -1.03 4.27 -4.80 -0.35 4.77 -0.07 -4.89 117.00 114.90 3khk n LEU 348 Ca 0.13 -2.40 -0.37 0.00 -0.03 0.00 0.00 56.01 53.34 3khk n LEU 348 Cb 0.07 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 3khk n LEU 348 CO 0.11 0.80 0.48 0.00 -1.33 0.00 0.00 177.39 177.45 3khk s ALA 349 N -1.74 3.38 -0.93 -1.18 0.00 -1.10 -3.75 121.76 116.44 3khk s ALA 349 Ca 0.45 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3khk s ALA 349 Cb 0.29 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.48 3khk s ALA 349 CO 0.22 0.29 0.00 -0.25 0.00 0.00 0.00 175.76 176.02 3khk n ASP 350 N 0.90 -5.73 -4.66 0.00 8.00 -1.26 -4.94 116.55 108.86 3khk n ASP 350 Ca -0.02 0.22 -0.50 0.00 0.71 0.00 0.00 54.79 55.19 3khk n ASP 350 Cb 0.50 -4.00 -0.05 0.00 -0.02 0.00 0.00 41.12 37.55 3khk n ASP 350 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3khk n ASP 351 N -1.11 2.76 -0.02 -2.24 -0.08 -1.25 -4.87 116.55 109.74 3khk n ASP 351 Ca -0.09 1.06 0.20 0.00 -1.51 0.00 0.00 54.79 54.45 3khk n ASP 351 Cb 0.57 -1.31 0.68 0.00 2.34 0.00 0.00 41.12 43.40 3khk n ASP 351 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3khk h PRO 352 N 6.82 0.02 -0.86 -0.67 0.11 -1.94 0.13 132.00 135.61 3khk h PRO 352 Ca -0.47 -0.00 0.25 0.00 0.11 0.00 0.00 66.00 65.89 3khk h PRO 352 Cb 1.29 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 3khk h PRO 352 CO 0.89 0.01 0.80 0.00 -0.21 0.00 0.00 178.00 179.50 3khk h ARG 353 N 0.02 0.00 0.00 1.05 3.08 -1.90 0.19 114.38 116.82 3khk h ARG 353 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3khk h ARG 353 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3khk h ARG 353 CO -0.01 0.00 -0.45 0.91 -1.07 0.00 0.00 179.97 179.35 3khk n TRP 354 N -3.74 0.59 -3.18 3.04 5.03 0.46 -4.55 117.44 115.08 3khk n TRP 354 Ca 0.18 0.17 -0.39 0.00 3.03 0.00 0.00 57.50 60.49 3khk n TRP 354 Cb 1.09 -0.69 -0.06 0.00 -1.03 0.00 0.00 31.31 30.62 3khk n TRP 354 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 3khk s THR 355 N -3.13 4.74 -0.29 -0.99 2.01 0.65 -2.88 115.64 115.76 3khk s THR 355 Ca 0.08 1.33 0.01 0.00 0.31 0.00 0.00 61.69 63.42 3khk s THR 355 Cb 0.14 -3.96 0.06 0.00 0.01 0.00 0.00 72.50 68.74 3khk s THR 355 CO 0.68 0.49 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.43 3khk s ILE 356 N -0.71 2.60 -0.98 1.82 -1.09 -1.19 -4.99 121.20 116.65 3khk s ILE 356 Ca 0.31 -1.56 -0.02 0.00 -2.23 0.00 0.00 60.65 57.16 3khk s ILE 356 Cb -0.20 -2.54 0.31 0.00 -1.58 0.00 0.00 42.46 38.45 3khk s ILE 356 CO 0.20 -0.11 1.43 -0.46 -1.23 0.00 0.00 174.94 174.77 3khk n ASN 357 N 4.52 6.17 0.00 3.58 0.23 -1.26 -2.31 115.26 126.19 3khk n ASN 357 Ca -0.13 -3.49 0.00 0.00 -0.53 0.00 0.00 54.58 50.43 3khk n ASN 357 Cb 0.43 -1.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.00 3khk n ASN 357 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3khk n THR 358 N 0.87 0.00 -2.77 5.53 -2.24 -1.26 -5.10 114.28 109.31 3khk n THR 358 Ca 0.31 -0.45 -0.33 0.00 -2.27 0.00 0.00 64.05 61.31 3khk n THR 358 Cb 0.33 1.09 -0.01 0.00 -2.10 0.00 0.00 70.33 69.64 3khk n THR 358 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3khk n LYS 362 N -0.00 4.04 -3.02 -0.78 3.00 -1.21 -5.09 118.16 115.10 3khk n LYS 362 Ca 0.00 -4.73 -0.43 0.00 -0.00 0.00 0.00 58.31 53.14 3khk n LYS 362 Cb 0.02 -2.32 -0.05 0.00 0.00 0.00 0.00 35.03 32.68 3khk n LYS 362 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3khk s ARG 363 N -3.82 3.17 0.23 1.64 3.00 -0.98 -4.88 118.95 117.31 3khk s ARG 363 Ca 0.45 -0.75 -0.30 0.00 -1.00 0.00 0.00 55.73 54.14 3khk s ARG 363 Cb 0.26 -4.12 -0.09 0.00 0.00 0.00 0.00 34.95 31.00 3khk s ARG 363 CO -0.15 -1.42 1.14 0.42 0.00 0.00 0.00 175.30 175.29 3khk s ILE 364 N 3.22 3.57 0.15 4.11 1.01 -1.26 -3.16 121.20 128.83 3khk s ILE 364 Ca 0.20 1.44 0.07 0.00 0.00 0.00 0.00 60.65 62.35 3khk s ILE 364 Cb -0.17 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 3khk s ILE 364 CO 0.13 0.28 -0.01 -0.76 0.00 0.00 0.00 174.94 174.59 3khk s LEU 365 N -0.81 3.33 -0.04 2.97 1.02 -1.14 -5.01 118.68 119.00 3khk s LEU 365 Ca 0.48 -0.34 -0.29 0.00 0.02 0.00 0.00 54.13 54.00 3khk s LEU 365 Cb -0.32 -2.02 -0.02 0.00 0.02 0.00 0.00 46.19 43.85 3khk s LEU 365 CO 0.39 0.12 0.97 -0.89 0.02 0.00 0.00 176.35 176.96 3khk s THR 366 N -1.57 4.85 0.97 5.49 2.01 -1.26 -4.83 115.64 121.30 3khk s THR 366 Ca 0.26 2.02 -0.12 0.00 0.31 0.00 0.00 61.69 64.17 3khk s THR 366 Cb -0.10 -4.30 0.17 0.00 0.01 0.00 0.00 72.50 68.28 3khk s THR 366 CO 0.18 0.11 1.08 -2.16 -0.69 0.00 0.00 174.62 173.14 3khk s PRO 367 N 1.35 0.63 -0.96 4.92 0.04 -1.26 -4.93 135.00 134.80 3khk s PRO 367 Ca 0.50 0.86 -0.17 0.00 0.04 0.00 0.00 61.00 62.22 3khk s PRO 367 Cb -0.20 -1.73 0.15 0.00 0.04 0.00 0.00 34.50 32.76 3khk s PRO 367 CO 0.24 -2.68 1.13 -1.25 0.04 0.00 0.00 177.00 174.48 3khk s PRO 368 N -4.81 3.68 0.00 0.56 0.04 -1.26 -4.90 135.00 128.31 3khk s PRO 368 Ca 0.65 -1.97 0.05 0.00 0.04 0.00 0.00 61.00 59.77 3khk s PRO 368 Cb -0.20 -4.88 0.31 0.00 0.04 0.00 0.00 34.50 29.77 3khk s PRO 368 CO 0.59 -1.71 0.75 0.25 0.04 0.00 0.00 177.00 176.91 3khk n THR 369 N 5.17 0.00 0.00 1.26 -2.24 -1.26 -3.28 114.28 113.94 3khk n THR 369 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 3khk n THR 369 Cb 0.48 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 3khk n THR 369 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3khk n GLY 370 N -0.07 0.00 3.36 3.38 0.00 -1.26 -4.40 105.19 106.20 3khk n GLY 370 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3khk n GLY 370 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3khk s ASN 371 N -3.37 5.43 0.00 1.61 3.84 -1.20 -3.42 114.94 117.82 3khk s ASN 371 Ca 0.00 -0.83 0.25 0.00 0.21 0.00 0.00 52.86 52.49 3khk s ASN 371 Cb 0.00 -1.95 1.50 0.00 -0.55 0.00 0.00 41.25 40.25 3khk s ASN 371 CO 0.00 -0.27 1.92 0.00 -2.79 0.00 0.00 177.10 175.96 3khk n ALA 372 N 4.92 2.58 -0.25 1.71 0.00 -0.75 -4.20 120.51 124.52 3khk n ALA 372 Ca -0.13 -0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.16 3khk n ALA 372 Cb 0.47 -1.41 0.08 0.00 0.00 0.00 0.00 19.45 18.59 3khk n ALA 372 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3khk h ASN 373 N 0.00 -0.70 1.00 0.00 2.35 -1.90 0.03 115.58 116.36 3khk h ASN 373 Ca 0.00 0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 3khk h ASN 373 Cb 0.00 0.46 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3khk h ASN 373 CO 0.00 -0.24 -1.03 -0.26 -1.65 0.00 0.00 177.43 174.24 3khk h PHE 374 N -0.01 0.00 -0.31 1.19 0.04 -1.95 -2.78 116.94 113.12 3khk h PHE 374 Ca 0.34 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.15 3khk h PHE 374 Cb 0.53 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 3khk h PHE 374 CO -0.58 0.20 0.10 0.00 -0.60 0.00 0.00 178.31 177.43 3khk h ALA 375 N 1.80 0.35 -0.56 2.45 0.00 -1.66 0.44 119.26 122.07 3khk h ALA 375 Ca -0.05 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3khk h ALA 375 Cb 1.20 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 3khk h ALA 375 CO 0.02 -0.30 0.30 -1.49 0.00 0.00 0.00 179.25 177.77 3khk h TRP 376 N 0.23 0.55 -0.41 0.00 4.06 -0.94 -0.76 115.95 118.68 3khk h TRP 376 Ca 0.14 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 61.05 3khk h TRP 376 Cb 0.11 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.09 3khk h TRP 376 CO -0.14 0.27 -0.01 1.98 -3.56 0.00 0.00 178.44 176.98 3khk h MET 377 N 0.57 0.67 0.01 0.49 4.05 -1.10 -1.17 114.93 118.44 3khk h MET 377 Ca 0.24 -0.17 -0.20 0.00 -0.28 0.00 0.00 59.70 59.29 3khk h MET 377 Cb 0.13 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.82 3khk h MET 377 CO -0.16 0.69 -0.97 -0.07 0.23 0.00 0.00 176.91 176.64 3khk h LEU 378 N 0.63 0.03 0.22 3.39 3.38 0.03 -3.09 115.31 119.92 3khk h LEU 378 Ca 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3khk h LEU 378 Cb 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3khk h LEU 378 CO 0.02 0.98 -0.11 -0.74 0.09 0.00 0.00 178.44 178.68 3khk h HIS 379 N 0.01 -0.28 -1.00 1.13 2.76 -0.61 -2.39 115.15 114.77 3khk h HIS 379 Ca -0.02 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.32 3khk h HIS 379 Cb 1.69 0.09 -0.10 0.00 1.55 0.00 0.00 27.41 30.65 3khk h HIS 379 CO 0.00 -0.05 0.61 0.52 -1.30 0.00 0.00 177.93 177.72 3khk h MET 380 N -0.47 0.79 -0.08 5.26 2.86 -1.31 -2.00 114.93 119.98 3khk h MET 380 Ca -0.03 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 3khk h MET 380 Cb 0.36 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3khk h MET 380 CO 0.05 0.52 -0.23 -0.07 1.06 0.00 0.00 176.91 178.24 3khk h LEU 381 N 0.82 0.34 -2.08 1.22 3.38 -1.47 -1.02 115.31 116.50 3khk h LEU 381 Ca 0.56 -0.60 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3khk h LEU 381 Cb 0.79 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3khk h LEU 381 CO -0.36 0.88 0.34 0.22 0.09 0.00 0.00 178.44 179.62 3khk h TYR 382 N -0.18 0.00 -0.55 1.13 3.20 -1.23 0.11 116.97 119.45 3khk h TYR 382 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3khk h TYR 382 Cb 0.85 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.12 3khk h TYR 382 CO 0.12 0.00 0.00 0.72 -1.64 0.00 0.00 178.16 177.36 3khk n HIS 383 N -3.65 1.24 -3.26 -3.82 8.25 -0.77 -4.89 115.22 108.32 3khk n HIS 383 Ca 0.04 -0.63 -0.39 0.00 -0.26 0.00 0.00 57.72 56.49 3khk n HIS 383 Cb 0.48 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.32 3khk n HIS 383 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3khk s LEU 384 N -1.84 4.40 0.57 2.41 2.96 0.38 -0.54 118.68 127.02 3khk s LEU 384 Ca 0.45 1.08 -0.20 0.00 -0.22 0.00 0.00 54.13 55.25 3khk s LEU 384 Cb 0.30 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 3khk s LEU 384 CO 0.21 0.11 1.23 0.00 -1.32 0.00 0.00 176.35 176.58 3khk s ALA 385 N -0.18 2.64 0.59 5.97 0.00 0.11 -4.69 121.76 126.20 3khk s ALA 385 Ca 0.29 1.05 0.29 0.00 0.00 0.00 0.00 51.96 53.60 3khk s ALA 385 Cb -0.18 -3.46 1.45 0.00 0.00 0.00 0.00 23.12 20.93 3khk s ALA 385 CO 0.16 -1.14 1.86 -1.35 0.00 0.00 0.00 175.76 175.29 3khk h PRO 386 N 1.12 0.00 0.00 0.00 0.11 -1.95 0.38 132.00 131.66 3khk h PRO 386 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3khk h PRO 386 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3khk h PRO 386 CO 0.56 0.00 -1.35 0.25 -0.21 0.00 0.00 178.00 177.25 3khk n THR 387 N -3.69 0.17 -2.28 -1.15 -2.24 -1.26 -3.83 114.28 100.01 3khk n THR 387 Ca 0.09 -0.36 -0.26 0.00 -2.27 0.00 0.00 64.05 61.25 3khk n THR 387 Cb 0.73 0.12 0.13 0.00 -2.10 0.00 0.00 70.33 69.21 3khk n THR 387 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3khk s GLY 388 N -4.01 1.76 0.27 3.38 0.00 0.12 -4.81 107.32 104.03 3khk s GLY 388 Ca -0.01 -1.42 0.02 0.00 0.00 0.00 0.00 44.72 43.31 3khk s GLY 388 CO 0.84 -0.79 0.10 -0.56 0.00 0.00 0.00 173.10 172.69 3khk s SER 389 N -4.77 1.39 0.24 1.64 0.01 0.27 -3.31 113.70 109.17 3khk s SER 389 Ca 0.69 -1.41 -0.09 0.00 1.31 0.00 0.00 55.95 56.45 3khk s SER 389 Cb -0.05 0.17 -0.01 0.00 0.21 0.00 0.00 66.02 66.33 3khk s SER 389 CO 0.48 -0.74 0.39 0.00 0.41 0.00 0.00 173.24 173.78 3khk s MET 390 N -3.99 1.47 0.01 12.44 0.23 -0.77 -1.59 119.30 127.12 3khk s MET 390 Ca 0.37 -1.38 -0.27 0.00 -1.03 0.00 0.00 55.69 53.38 3khk s MET 390 Cb 0.07 0.42 0.07 0.00 -1.53 0.00 0.00 34.83 33.86 3khk s MET 390 CO 0.14 -0.58 0.62 0.00 -2.03 0.00 0.00 175.02 173.17 3khk s ALA 391 N -4.01 -1.63 0.07 3.16 0.00 0.23 -2.24 121.76 117.35 3khk s ALA 391 Ca 0.27 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 53.08 3khk s ALA 391 Cb 0.01 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.42 3khk s ALA 391 CO 0.10 -0.48 0.32 -0.48 0.00 0.00 0.00 175.76 175.23 3khk s LEU 392 N -1.67 0.80 -0.23 0.00 2.34 -0.62 -2.98 118.68 116.31 3khk s LEU 392 Ca -0.07 -0.29 -0.10 0.00 0.06 0.00 0.00 54.13 53.72 3khk s LEU 392 Cb -0.00 1.47 -0.05 0.00 -0.56 0.00 0.00 46.19 47.04 3khk s LEU 392 CO 0.03 -0.70 0.15 -0.22 -1.06 0.00 0.00 176.35 174.55 3khk s LEU 393 N -2.40 4.14 0.04 1.48 2.96 -1.12 -0.76 118.68 123.02 3khk s LEU 393 Ca -0.01 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3khk s LEU 393 Cb 0.01 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 3khk s LEU 393 CO -0.07 0.09 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.22 3khk s LEU 394 N 0.88 2.22 0.26 -0.68 1.43 0.21 -4.39 118.68 118.61 3khk s LEU 394 Ca 0.08 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 3khk s LEU 394 Cb -0.13 -0.18 -0.14 0.00 0.03 0.00 0.00 46.19 45.77 3khk s LEU 394 CO 0.03 -0.17 1.15 0.00 0.23 0.00 0.00 176.35 177.59 3khk n ALA 395 N 1.66 0.07 -0.34 4.21 0.00 -1.26 0.11 120.51 124.97 3khk n ALA 395 Ca -0.21 0.41 0.01 0.00 0.00 0.00 0.00 53.44 53.64 3khk n ALA 395 Cb 0.55 -2.09 0.06 0.00 0.00 0.00 0.00 19.45 17.97 3khk n ALA 395 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3khk n ASN 396 N 1.50 -0.51 -0.26 0.00 3.02 -0.63 -1.92 115.26 116.45 3khk n ASN 396 Ca 0.10 1.55 0.20 0.00 -0.03 0.00 0.00 54.58 56.40 3khk n ASN 396 Cb 0.31 -0.38 0.38 0.00 -0.61 0.00 0.00 39.78 39.47 3khk n ASN 396 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3khk n GLY 397 N -1.46 -0.75 0.39 7.41 0.00 -1.26 -1.14 105.19 108.38 3khk n GLY 397 Ca 0.10 0.68 0.21 0.00 0.00 0.00 0.00 46.02 47.01 3khk n GLY 397 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3khk h SER 398 N 0.00 0.00 0.70 1.61 4.64 -1.73 0.23 113.55 119.00 3khk h SER 398 Ca 0.59 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.89 3khk h SER 398 Cb 1.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.56 3khk h SER 398 CO -0.65 0.00 -0.12 0.24 -0.87 0.00 0.00 176.83 175.43 3khk h MET 399 N 0.00 0.00 0.00 4.77 2.07 -1.35 -3.37 114.93 117.05 3khk h MET 399 Ca 0.23 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.86 3khk h MET 399 Cb 1.12 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.85 3khk h MET 399 CO -0.00 0.12 -0.28 -1.13 1.07 0.00 0.00 176.91 176.69 3khk n SER 400 N -3.37 1.39 -4.44 1.22 3.41 -0.09 -1.05 113.62 110.68 3khk n SER 400 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 3khk n SER 400 Cb 0.31 0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 3khk n SER 400 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3khk n SER 401 N -0.81 -0.86 -0.44 4.04 2.88 0.63 -4.86 113.62 114.19 3khk n SER 401 Ca 0.00 0.99 0.08 0.00 -1.33 0.00 0.00 58.87 58.60 3khk n SER 401 Cb 0.11 -1.08 0.17 0.00 -0.75 0.00 0.00 64.21 62.66 3khk n SER 401 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3khk n ASN 402 N 1.56 2.97 -4.93 -3.46 3.02 -1.26 -3.27 115.26 109.89 3khk n ASN 402 Ca 0.12 -2.80 -0.26 0.00 -0.03 0.00 0.00 54.58 51.61 3khk n ASN 402 Cb 0.35 -0.40 0.04 0.00 -0.61 0.00 0.00 39.78 39.16 3khk n ASN 402 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3khk s THR 403 N -2.42 3.31 -1.56 3.41 -4.23 -1.26 -4.51 115.64 108.40 3khk s THR 403 Ca 0.31 -0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.66 3khk s THR 403 Cb 0.25 -3.32 0.01 0.00 1.34 0.00 0.00 72.50 70.78 3khk s THR 403 CO 0.06 -0.32 0.04 0.59 -0.54 0.00 0.00 174.62 174.46 3khk n ASN 404 N -2.59 0.79 -0.90 3.99 4.13 -1.26 -1.32 115.26 118.09 3khk n ASN 404 Ca 0.05 -1.27 -0.09 0.00 1.68 0.00 0.00 54.58 54.95 3khk n ASN 404 Cb 0.58 -1.66 -0.04 0.00 -1.54 0.00 0.00 39.78 37.12 3khk n ASN 404 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3khk n ASN 405 N -2.88 -4.14 0.09 6.41 5.15 -1.26 -4.49 115.26 114.14 3khk n ASN 405 Ca -0.31 0.23 -0.01 0.00 -0.60 0.00 0.00 54.58 53.89 3khk n ASN 405 Cb 0.69 -3.30 0.25 0.00 -0.53 0.00 0.00 39.78 36.89 3khk n ASN 405 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 3khk h GLU 406 N 0.00 0.27 -0.55 1.20 5.08 -1.46 -1.60 114.58 117.53 3khk h GLU 406 Ca -0.19 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.12 3khk h GLU 406 Cb 0.89 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.08 3khk h GLU 406 CO 0.28 0.58 0.24 0.78 -1.00 0.00 0.00 179.01 179.90 3khk h GLY 407 N 1.10 0.76 1.54 -3.84 0.00 -1.76 0.53 103.07 101.40 3khk h GLY 407 Ca 0.03 -0.15 -0.17 0.00 0.00 0.00 0.00 47.33 47.03 3khk h GLY 407 CO 0.05 0.06 -0.66 0.83 0.00 0.00 0.00 176.54 176.83 3khk h GLU 408 N 0.46 0.47 -0.22 4.80 4.39 -1.86 -2.51 114.58 120.11 3khk h GLU 408 Ca 0.26 -0.34 -0.18 0.00 0.34 0.00 0.00 59.36 59.43 3khk h GLU 408 Cb 0.23 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3khk h GLU 408 CO -0.22 0.97 -0.59 0.82 -1.16 0.00 0.00 179.01 178.83 3khk h ILE 409 N 0.34 1.30 0.41 3.13 2.04 -1.13 -1.73 117.51 121.88 3khk h ILE 409 Ca -0.02 -1.82 -0.02 0.00 1.00 0.00 0.00 64.86 64.01 3khk h ILE 409 Cb 1.22 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 3khk h ILE 409 CO 0.12 0.58 -0.23 -0.09 0.00 0.00 0.00 178.15 178.52 3khk h ARG 410 N 0.53 -0.58 -0.58 2.37 2.43 -0.91 -2.46 114.38 115.18 3khk h ARG 410 Ca 0.00 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3khk h ARG 410 Cb 1.17 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.79 3khk h ARG 410 CO 0.12 -0.39 -0.34 1.17 -1.51 0.00 0.00 179.97 179.02 3khk n LYS 411 N -3.76 -0.26 -0.14 0.20 4.81 -0.95 -1.40 118.16 116.67 3khk n LYS 411 Ca -0.07 1.12 -0.07 0.00 -0.87 0.00 0.00 58.31 58.41 3khk n LYS 411 Cb 0.25 -1.65 -0.01 0.00 0.02 0.00 0.00 35.03 33.64 3khk n LYS 411 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3khk h THR 412 N 0.00 0.22 0.00 3.15 2.02 -1.28 -0.02 112.91 117.00 3khk h THR 412 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3khk h THR 412 Cb 0.24 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 3khk h THR 412 CO -0.55 0.00 -0.05 -0.07 0.37 0.00 0.00 175.52 175.22 3khk h LEU 413 N -0.23 0.00 0.13 2.58 3.38 -0.74 0.04 115.31 120.47 3khk h LEU 413 Ca 0.18 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.84 3khk h LEU 413 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3khk h LEU 413 CO -0.57 0.05 -1.61 0.58 0.09 0.00 0.00 178.44 176.99 3khk h VAL 414 N 0.00 1.07 -0.54 1.22 2.07 -0.72 -1.18 116.25 118.17 3khk h VAL 414 Ca -0.00 -2.71 -0.02 0.00 0.82 0.00 0.00 66.70 64.79 3khk h VAL 414 Cb 0.18 2.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 3khk h VAL 414 CO 0.01 0.82 0.24 -0.33 0.02 0.00 0.00 177.57 178.32 3khk h GLU 415 N 0.07 0.77 -0.05 1.57 5.08 0.16 -0.99 114.58 121.20 3khk h GLU 415 Ca -0.27 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3khk h GLU 415 Cb 2.04 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.14 3khk h GLU 415 CO 0.16 0.61 0.00 1.04 -1.00 0.00 0.00 179.01 179.82 3khk n GLN 416 N -4.36 1.27 -3.05 2.33 1.13 -0.12 -4.93 117.38 109.65 3khk n GLN 416 Ca 0.05 -0.40 -0.12 0.00 -1.94 0.00 0.00 57.00 54.59 3khk n GLN 416 Cb 0.14 -1.38 0.04 0.00 0.11 0.00 0.00 30.24 29.16 3khk n GLN 416 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3khk n ASP 417 N -0.43 -4.19 -0.10 1.08 2.03 -0.38 -4.96 116.55 109.61 3khk n ASP 417 Ca 0.17 -0.27 -0.19 0.00 0.52 0.00 0.00 54.79 55.02 3khk n ASP 417 Cb 0.17 -2.77 -0.07 0.00 -0.72 0.00 0.00 41.12 37.73 3khk n ASP 417 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3khk n LEU 418 N -2.76 1.83 -4.65 -2.67 4.77 -0.45 -4.87 117.00 108.20 3khk n LEU 418 Ca 0.00 0.14 -0.53 0.00 -0.03 0.00 0.00 56.01 55.59 3khk n LEU 418 Cb 0.53 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 3khk n LEU 418 CO 0.32 0.52 1.15 0.52 -1.33 0.00 0.00 177.39 178.58 3khk n VAL 419 N -3.63 0.18 0.02 4.08 0.31 -1.22 -2.16 118.33 115.91 3khk n VAL 419 Ca -0.37 -0.03 -0.01 0.00 -0.01 0.00 0.00 64.34 63.92 3khk n VAL 419 Cb 0.79 -1.15 -0.00 0.00 -0.91 0.00 0.00 33.84 32.57 3khk n VAL 419 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3khk n GLU 420 N 4.12 0.05 -5.05 5.55 2.13 0.68 -4.70 120.64 123.43 3khk n GLU 420 Ca 0.22 0.02 -0.31 0.00 0.66 0.00 0.00 57.16 57.75 3khk n GLU 420 Cb 0.19 -0.50 -0.15 0.00 0.27 0.00 0.00 31.44 31.25 3khk n GLU 420 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3khk s MET 422 N -1.00 2.16 -0.23 0.00 -1.94 -0.42 0.38 119.30 118.25 3khk s MET 422 Ca 0.11 -0.58 -0.05 0.00 -1.71 0.00 0.00 55.69 53.46 3khk s MET 422 Cb -0.10 -2.11 -0.02 0.00 2.01 0.00 0.00 34.83 34.61 3khk s MET 422 CO 0.01 -0.28 0.00 0.08 -0.01 0.00 0.00 175.02 174.82 3khk s VAL 423 N 1.50 3.75 -0.11 -6.03 1.01 -0.28 -0.83 120.40 119.40 3khk s VAL 423 Ca 0.04 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 3khk s VAL 423 Cb -0.13 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 3khk s VAL 423 CO -0.10 0.39 0.41 0.00 0.00 0.00 0.00 175.10 175.80 3khk s ALA 424 N 1.49 3.54 0.14 5.51 0.00 0.02 -1.32 121.76 131.14 3khk s ALA 424 Ca 0.06 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 51.80 3khk s ALA 424 Cb -0.15 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 3khk s ALA 424 CO -0.00 0.10 0.04 -0.51 0.00 0.00 0.00 175.76 175.38 3khk s LEU 425 N 0.34 3.50 0.15 0.00 1.43 -1.25 -1.24 118.68 121.61 3khk s LEU 425 Ca 0.23 -0.25 -0.31 0.00 -1.03 0.00 0.00 54.13 52.76 3khk s LEU 425 Cb -0.15 -2.17 -0.11 0.00 0.03 0.00 0.00 46.19 43.80 3khk s LEU 425 CO 0.09 0.11 1.76 -2.84 0.23 0.00 0.00 176.35 175.70 3khk s PRO 426 N -2.78 4.14 0.43 1.29 0.02 -1.26 -4.61 135.00 132.24 3khk s PRO 426 Ca 0.28 2.56 0.18 0.00 0.02 0.00 0.00 61.00 64.04 3khk s PRO 426 Cb -0.10 -3.38 1.00 0.00 0.02 0.00 0.00 34.50 32.04 3khk s PRO 426 CO 0.20 -0.78 1.50 0.78 -0.33 0.00 0.00 177.00 178.37 3khk h GLY 427 N 7.86 0.00 -1.95 0.52 0.00 -1.94 0.49 103.07 108.05 3khk h GLY 427 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3khk h GLY 427 CO 0.95 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.10 3khk n GLN 428 N -2.32 2.86 -1.73 4.80 10.64 -1.26 -4.63 117.38 125.74 3khk n GLN 428 Ca -0.01 -2.36 -0.42 0.00 -1.83 0.00 0.00 57.00 52.37 3khk n GLN 428 Cb 0.33 -1.43 -0.02 0.00 -0.86 0.00 0.00 30.24 28.26 3khk n GLN 428 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3khk n LEU 429 N 0.98 4.17 -4.58 2.61 7.94 0.17 -2.73 117.00 125.57 3khk n LEU 429 Ca 0.18 1.15 -0.17 0.00 -1.11 0.00 0.00 56.01 56.06 3khk n LEU 429 Cb 0.54 -1.57 -0.10 0.00 0.53 0.00 0.00 43.42 42.83 3khk n LEU 429 CO 0.12 0.04 1.19 0.12 -1.11 0.00 0.00 177.39 177.76 3khk s PHE 430 N -0.09 1.35 -0.15 1.96 5.36 -1.06 -4.54 117.98 120.81 3khk s PHE 430 Ca 0.64 1.88 0.18 0.00 -0.96 0.00 0.00 56.93 58.67 3khk s PHE 430 Cb -0.52 -3.49 -0.25 0.00 -0.34 0.00 0.00 43.02 38.42 3khk s PHE 430 CO 0.50 -0.95 0.25 -2.37 -1.46 0.00 0.00 175.22 171.18 3khk n THR 431 N 8.74 1.16 -2.23 0.12 5.66 -1.26 -4.68 114.28 121.79 3khk n THR 431 Ca 0.43 -0.78 -0.15 0.00 -3.05 0.00 0.00 64.05 60.50 3khk n THR 431 Cb 0.46 -0.46 -0.02 0.00 -1.55 0.00 0.00 70.33 68.77 3khk n THR 431 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3khk n ASN 432 N -2.70 -4.35 -4.66 1.09 4.05 -1.26 -4.48 115.26 102.94 3khk n ASN 432 Ca -0.25 0.18 -0.32 0.00 0.45 0.00 0.00 54.58 54.64 3khk n ASN 432 Cb 1.03 -3.73 -0.09 0.00 1.23 0.00 0.00 39.78 38.22 3khk n ASN 432 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 3khk s THR 433 N -2.64 4.02 0.51 -0.44 -4.23 -1.26 -0.04 115.64 111.57 3khk s THR 433 Ca 0.00 -0.71 0.21 0.00 -1.18 0.00 0.00 61.69 60.00 3khk s THR 433 Cb 0.00 -2.81 0.35 0.00 1.34 0.00 0.00 72.50 71.38 3khk s THR 433 CO 0.00 0.33 2.04 -0.61 -0.54 0.00 0.00 174.62 175.84 3khk h GLN 434 N 4.20 0.06 -6.57 3.99 -0.00 -1.94 -3.42 115.11 111.44 3khk h GLN 434 Ca -0.49 -0.00 -0.69 0.00 -0.00 0.00 0.00 58.65 57.47 3khk h GLN 434 Cb 1.17 -0.01 -0.23 0.00 0.00 0.00 0.00 27.48 28.41 3khk h GLN 434 CO 0.57 0.04 -0.81 0.42 0.00 0.00 0.00 178.83 179.05 3khk s ILE 435 N -5.09 2.74 0.74 2.39 1.01 -1.26 -5.12 121.20 116.61 3khk s ILE 435 Ca -0.05 -1.16 -0.15 0.00 0.00 0.00 0.00 60.65 59.29 3khk s ILE 435 Cb 0.19 -2.13 0.04 0.00 0.01 0.00 0.00 42.46 40.57 3khk s ILE 435 CO 0.72 0.37 1.21 -2.84 0.00 0.00 0.00 174.94 174.39 3khk s PRO 436 N -1.33 2.10 0.31 2.79 0.02 -1.26 -4.88 135.00 132.75 3khk s PRO 436 Ca 0.14 1.76 0.03 0.00 0.02 0.00 0.00 61.00 62.95 3khk s PRO 436 Cb -0.10 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 3khk s PRO 436 CO 0.04 -1.86 0.12 0.00 -0.33 0.00 0.00 177.00 174.97 3khk s ALA 437 N -1.99 2.12 0.30 -1.55 0.00 -1.26 -1.61 121.76 117.77 3khk s ALA 437 Ca 0.74 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.97 3khk s ALA 437 Cb -0.29 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3khk s ALA 437 CO 0.46 -0.43 0.17 0.00 0.00 0.00 0.00 175.76 175.95 3khk s ILE 439 N -3.63 3.12 0.18 0.00 1.01 -0.43 -0.62 121.20 120.83 3khk s ILE 439 Ca 0.36 -1.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.33 3khk s ILE 439 Cb 0.05 -2.81 -0.08 0.00 0.01 0.00 0.00 42.46 39.64 3khk s ILE 439 CO 0.18 -0.15 0.97 0.26 0.00 0.00 0.00 174.94 176.20 3khk s TRP 440 N 1.27 3.87 -0.08 3.97 0.52 0.06 -1.13 118.94 127.43 3khk s TRP 440 Ca -0.04 1.84 0.02 0.00 0.02 0.00 0.00 56.10 57.94 3khk s TRP 440 Cb -0.20 -3.05 0.01 0.00 -1.15 0.00 0.00 33.47 29.09 3khk s TRP 440 CO -0.01 0.24 -0.13 0.12 0.02 0.00 0.00 176.95 177.19 3khk s PHE 441 N -0.63 1.56 0.05 -1.98 2.19 0.16 -1.59 117.98 117.74 3khk s PHE 441 Ca 0.44 -0.61 -0.00 0.00 0.33 0.00 0.00 56.93 57.09 3khk s PHE 441 Cb -0.25 -1.15 -0.04 0.00 -1.31 0.00 0.00 43.02 40.27 3khk s PHE 441 CO 0.32 -0.32 -0.04 -0.51 1.83 0.00 0.00 175.22 176.50 3khk s LEU 442 N 0.77 2.43 -0.03 6.12 1.02 -0.95 -0.23 118.68 127.81 3khk s LEU 442 Ca -0.12 -0.87 -0.07 0.00 0.02 0.00 0.00 54.13 53.09 3khk s LEU 442 Cb -0.16 0.11 0.01 0.00 0.02 0.00 0.00 46.19 46.17 3khk s LEU 442 CO 0.02 -0.49 0.16 -0.89 0.02 0.00 0.00 176.35 175.17 3khk s THR 443 N -3.21 0.04 -0.93 5.49 2.01 -0.92 -1.84 115.64 116.28 3khk s THR 443 Ca 0.02 -0.36 0.25 0.00 0.31 0.00 0.00 61.69 61.92 3khk s THR 443 Cb 0.03 -0.35 0.22 0.00 0.01 0.00 0.00 72.50 72.41 3khk s THR 443 CO -0.07 -0.20 1.80 0.29 -0.69 0.00 0.00 174.62 175.75 3khk n LYS 444 N 2.19 0.05 -3.47 4.92 5.02 -1.21 -4.51 118.16 121.15 3khk n LYS 444 Ca -0.18 0.11 -0.15 0.00 -2.02 0.00 0.00 58.31 56.07 3khk n LYS 444 Cb 0.57 -1.57 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 3khk n LYS 444 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3khk s ASP 445 N -3.31 0.90 -0.22 4.39 -1.08 -1.25 -4.92 116.67 111.19 3khk s ASP 445 Ca 0.11 0.02 0.15 0.00 -0.52 0.00 0.00 52.55 52.31 3khk s ASP 445 Cb 0.15 0.65 0.61 0.00 -1.46 0.00 0.00 42.92 42.87 3khk s ASP 445 CO 0.48 -0.31 1.54 0.29 0.52 0.00 0.00 175.17 177.69 3khk n LYS 446 N 5.34 3.29 -1.61 4.34 5.02 -1.26 -5.02 118.16 128.25 3khk n LYS 446 Ca -0.05 -2.97 -0.30 0.00 -2.02 0.00 0.00 58.31 52.97 3khk n LYS 446 Cb 0.50 -1.97 0.08 0.00 -0.02 0.00 0.00 35.03 33.61 3khk n LYS 446 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3khk s ASN 447 N -1.67 4.73 0.10 4.39 0.01 -1.26 -1.09 114.94 120.15 3khk s ASN 447 Ca 0.47 1.30 -0.31 0.00 -0.71 0.00 0.00 52.86 53.61 3khk s ASN 447 Cb 0.38 -2.06 -0.09 0.00 0.41 0.00 0.00 41.25 39.88 3khk s ASN 447 CO 0.10 -1.82 1.65 0.00 -1.51 0.00 0.00 177.10 175.53 3khk s ALA 448 N -3.18 3.72 0.04 0.60 0.00 -1.15 -4.46 121.76 117.33 3khk s ALA 448 Ca 0.60 1.27 -0.28 0.00 0.00 0.00 0.00 51.96 53.56 3khk s ALA 448 Cb -0.14 -3.69 0.10 0.00 0.00 0.00 0.00 23.12 19.39 3khk s ALA 448 CO 0.54 -1.04 1.21 0.21 0.00 0.00 0.00 175.76 176.67 3khk s LYS 449 N 2.30 0.65 0.00 0.00 2.20 0.15 -4.93 119.74 120.11 3khk s LYS 449 Ca 0.74 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 3khk s LYS 449 Cb -0.41 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.10 3khk s LYS 449 CO 0.32 -0.30 0.00 0.09 -0.36 0.00 0.00 175.35 175.10 3khk n ASN 450 N -0.80 0.00 0.00 1.43 3.02 -1.26 0.17 115.26 117.82 3khk n ASN 450 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 3khk n ASN 450 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 3khk n ASN 450 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3khk n GLY 451 N 0.00 1.58 3.74 7.41 0.00 -1.26 -5.12 105.19 111.54 3khk n GLY 451 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3khk n GLY 451 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khk s LYS 452 N 0.00 4.35 0.29 1.61 1.02 0.45 -4.52 119.74 122.94 3khk s LYS 452 Ca 0.00 0.72 -0.05 0.00 0.02 0.00 0.00 55.97 56.66 3khk s LYS 452 Cb 0.00 -3.39 0.07 0.00 -0.52 0.00 0.00 37.83 33.99 3khk s LYS 452 CO 0.00 0.25 0.30 2.89 -0.92 0.00 0.00 175.35 177.86 3khk n ARG 453 N 3.19 -1.14 -2.77 1.68 1.85 -0.58 0.34 116.66 119.24 3khk n ARG 453 Ca -0.05 -0.47 -0.43 0.00 -1.00 0.00 0.00 57.85 55.91 3khk n ARG 453 Cb 0.51 -0.39 -0.03 0.00 -1.05 0.00 0.00 32.46 31.50 3khk n ARG 453 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3khk s ASP 454 N -2.24 6.79 -0.07 2.89 -1.08 -1.26 -2.91 116.67 118.78 3khk s ASP 454 Ca 0.18 0.81 0.20 0.00 -0.52 0.00 0.00 52.55 53.22 3khk s ASP 454 Cb -0.01 -2.48 0.41 0.00 -1.46 0.00 0.00 42.92 39.37 3khk s ASP 454 CO 0.14 -0.80 1.18 -2.11 0.52 0.00 0.00 175.17 174.09 3khk n ARG 455 N 6.66 0.52 -1.71 4.34 1.85 -0.25 -4.93 116.66 123.14 3khk n ARG 455 Ca 0.08 -2.38 -0.39 0.00 -1.00 0.00 0.00 57.85 54.16 3khk n ARG 455 Cb 0.48 -0.56 0.03 0.00 -1.05 0.00 0.00 32.46 31.36 3khk n ARG 455 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3khk n ARG 456 N -0.07 1.73 -0.49 2.89 1.74 -1.19 -2.23 116.66 119.03 3khk n ARG 456 Ca 0.10 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 3khk n ARG 456 Cb 0.98 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 3khk n ARG 456 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3khk n GLY 457 N 0.83 1.34 3.54 -0.13 0.00 -1.26 -4.99 105.19 104.51 3khk n GLY 457 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3khk n GLY 457 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3khk s GLN 458 N -0.16 2.45 -0.03 1.61 -0.21 -0.95 -0.36 119.66 122.01 3khk s GLN 458 Ca 0.00 -0.76 -0.01 0.00 0.02 0.00 0.00 55.36 54.61 3khk s GLN 458 Cb 0.00 -2.41 0.03 0.00 1.00 0.00 0.00 33.01 31.63 3khk s GLN 458 CO 0.00 0.60 0.05 0.08 -2.12 0.00 0.00 175.29 173.90 3khk s VAL 459 N -0.92 -0.05 -0.15 1.09 1.01 -1.15 -4.79 120.40 115.44 3khk s VAL 459 Ca 0.15 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.21 3khk s VAL 459 Cb -0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 3khk s VAL 459 CO 0.05 0.08 0.23 -0.22 0.00 0.00 0.00 175.10 175.24 3khk s LEU 460 N 1.01 4.27 -0.35 3.92 2.96 0.11 -0.41 118.68 130.19 3khk s LEU 460 Ca -0.08 0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 54.22 3khk s LEU 460 Cb -0.12 -2.26 0.05 0.00 0.50 0.00 0.00 46.19 44.36 3khk s LEU 460 CO -0.03 0.19 0.13 -0.36 -1.32 0.00 0.00 176.35 174.95 3khk s PHE 461 N 0.09 3.29 -0.20 5.38 0.08 -0.49 -1.31 117.98 124.82 3khk s PHE 461 Ca 0.14 -1.53 -0.15 0.00 0.12 0.00 0.00 56.93 55.51 3khk s PHE 461 Cb -0.13 -2.43 -0.04 0.00 -0.57 0.00 0.00 43.02 39.86 3khk s PHE 461 CO 0.03 -0.77 0.37 0.42 -0.10 0.00 0.00 175.22 175.17 3khk s ILE 462 N 1.38 5.22 -0.49 0.64 1.01 -0.01 -2.17 121.20 126.78 3khk s ILE 462 Ca -0.01 0.65 -0.09 0.00 0.00 0.00 0.00 60.65 61.21 3khk s ILE 462 Cb -0.20 -3.70 0.13 0.00 0.01 0.00 0.00 42.46 38.69 3khk s ILE 462 CO 0.02 0.27 0.36 -0.62 0.00 0.00 0.00 174.94 174.97 3khk s ASP 463 N 1.01 5.70 -0.21 3.58 -1.08 0.14 -0.80 116.67 125.01 3khk s ASP 463 Ca 0.18 -2.00 0.15 0.00 -0.52 0.00 0.00 52.55 50.36 3khk s ASP 463 Cb -0.15 -2.00 0.61 0.00 -1.46 0.00 0.00 42.92 39.92 3khk s ASP 463 CO 0.07 -0.67 1.53 0.00 0.52 0.00 0.00 175.17 176.63 3khk n ALA 464 N 4.78 3.41 -0.22 3.66 0.00 -0.37 -4.43 120.51 127.34 3khk n ALA 464 Ca -0.06 -2.29 0.02 0.00 0.00 0.00 0.00 53.44 51.11 3khk n ALA 464 Cb 0.41 -0.85 0.14 0.00 0.00 0.00 0.00 19.45 19.15 3khk n ALA 464 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khk h ARG 465 N 2.30 0.39 0.00 0.00 3.08 -1.80 -2.70 114.38 115.65 3khk h ARG 465 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3khk h ARG 465 Cb 1.65 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.62 3khk h ARG 465 CO 0.34 0.26 0.00 1.63 -1.07 0.00 0.00 179.97 181.13 3khk n LYS 466 N -5.02 0.13 -1.88 0.04 4.76 -1.26 -4.33 118.16 110.60 3khk n LYS 466 Ca 0.11 0.29 -0.30 0.00 -2.87 0.00 0.00 58.31 55.54 3khk n LYS 466 Cb 0.33 -1.72 0.06 0.00 -1.84 0.00 0.00 35.03 31.86 3khk n LYS 466 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3khk s LEU 467 N -3.94 2.82 0.00 -0.35 1.43 -1.02 -5.00 118.68 112.63 3khk s LEU 467 Ca 0.07 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 3khk s LEU 467 Cb 0.11 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.52 3khk s LEU 467 CO 0.41 -1.46 0.00 0.61 0.23 0.00 0.00 176.35 176.15 3khk n GLY 468 N -3.05 1.51 3.44 -3.19 0.00 -1.26 -4.81 105.19 97.82 3khk n GLY 468 Ca 0.07 -2.25 -0.15 0.00 0.00 0.00 0.00 46.02 43.69 3khk n GLY 468 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3khk s TYR 469 N -1.39 -0.54 -0.20 1.61 -0.85 -0.96 -4.89 117.35 110.12 3khk s TYR 469 Ca 0.00 1.13 -0.30 0.00 -0.52 0.00 0.00 57.07 57.38 3khk s TYR 469 Cb 0.00 0.25 -0.07 0.00 0.38 0.00 0.00 41.96 42.52 3khk s TYR 469 CO 0.00 -0.41 2.16 -1.33 -1.52 0.00 0.00 175.55 174.45 3khk n MET 470 N 1.88 1.94 0.03 -3.49 2.81 -1.26 -1.33 117.12 117.71 3khk n MET 470 Ca -0.17 0.58 -0.08 0.00 -1.81 0.00 0.00 57.70 56.22 3khk n MET 470 Cb 0.56 -3.03 -0.06 0.00 -0.71 0.00 0.00 33.22 29.98 3khk n MET 470 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3khk h LYS 471 N 13.62 -0.18 0.00 0.03 3.64 -1.00 -3.47 116.57 129.20 3khk h LYS 471 Ca -0.40 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3khk h LYS 471 Cb 1.26 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3khk h LYS 471 CO 0.97 0.17 0.00 -0.40 -2.27 0.00 0.00 179.45 177.91 3khk n ASP 472 N -4.88 0.43 -0.25 4.20 5.68 -1.17 -5.02 116.55 115.55 3khk n ASP 472 Ca -0.06 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.17 3khk n ASP 472 Cb 0.21 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.24 3khk n ASP 472 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3khk h ARG 473 N 0.00 1.00 0.00 0.11 2.43 -2.02 -3.41 114.38 112.49 3khk h ARG 473 Ca 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3khk h ARG 473 Cb 0.00 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3khk h ARG 473 CO 0.00 0.81 0.00 1.33 -1.51 0.00 0.00 179.97 180.60 3khk n VAL 474 N -4.42 0.00 -1.21 0.20 0.24 -1.26 -4.97 118.33 106.91 3khk n VAL 474 Ca 0.05 0.00 -0.46 0.00 -2.04 0.00 0.00 64.34 61.89 3khk n VAL 474 Cb 0.15 -0.56 -0.06 0.00 -1.47 0.00 0.00 33.84 31.91 3khk n VAL 474 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3khk n LEU 475 N -0.93 -0.21 -4.57 1.34 4.77 -1.26 -4.77 117.00 111.38 3khk n LEU 475 Ca 0.00 0.94 -0.30 0.00 -0.03 0.00 0.00 56.01 56.62 3khk n LEU 475 Cb 0.00 -0.75 -0.10 0.00 -2.33 0.00 0.00 43.42 40.23 3khk n LEU 475 CO 0.00 -1.73 -0.42 -0.13 -1.33 0.00 0.00 177.39 173.78 3khk s ARG 476 N -0.16 2.20 0.25 3.23 0.52 -1.11 -0.36 118.95 123.52 3khk s ARG 476 Ca 0.70 -0.97 0.05 0.00 -0.52 0.00 0.00 55.73 54.99 3khk s ARG 476 Cb -0.98 -2.33 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 3khk s ARG 476 CO 0.46 0.53 0.17 -3.47 0.02 0.00 0.00 175.30 173.01 3khk n ASP 477 N 0.91 -0.05 -4.03 0.23 2.03 -0.44 -2.56 116.55 112.65 3khk n ASP 477 Ca -0.14 -2.55 -0.31 0.00 0.52 0.00 0.00 54.79 52.30 3khk n ASP 477 Cb 0.52 1.06 -0.15 0.00 -0.72 0.00 0.00 41.12 41.83 3khk n ASP 477 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3khk s PHE 478 N -2.87 2.89 0.30 -0.67 0.08 -1.26 -2.27 117.98 114.18 3khk s PHE 478 Ca 0.25 -2.04 -0.29 0.00 0.12 0.00 0.00 56.93 54.96 3khk s PHE 478 Cb 0.01 -1.80 -0.13 0.00 -0.57 0.00 0.00 43.02 40.54 3khk s PHE 478 CO 0.17 -0.83 1.35 1.63 -0.10 0.00 0.00 175.22 177.44 3khk n LYS 479 N 4.54 2.13 0.29 0.44 5.02 -1.26 -4.83 118.16 124.49 3khk n LYS 479 Ca -0.14 0.75 0.16 0.00 -2.02 0.00 0.00 58.31 57.06 3khk n LYS 479 Cb 0.44 -2.37 0.86 0.00 -0.02 0.00 0.00 35.03 33.94 3khk n LYS 479 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 3khk h ASP 480 N 3.24 0.00 0.10 4.39 1.82 -1.98 1.03 116.42 125.02 3khk h ASP 480 Ca -0.46 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.21 3khk h ASP 480 Cb 1.28 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.25 3khk h ASP 480 CO 0.68 0.00 -0.32 -0.08 -1.61 0.00 0.00 179.24 177.91 3khk h GLU 481 N 0.00 -0.51 -0.60 0.28 4.81 -1.99 0.75 114.58 117.31 3khk h GLU 481 Ca 0.00 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3khk h GLU 481 Cb 0.34 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 3khk h GLU 481 CO 0.00 -0.34 0.33 -0.44 -0.73 0.00 0.00 179.01 177.83 3khk h ASP 482 N -0.53 0.73 -0.42 1.04 3.32 0.68 -1.38 116.42 119.86 3khk h ASP 482 Ca 0.04 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3khk h ASP 482 Cb 0.57 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3khk h ASP 482 CO -0.20 0.59 0.10 0.40 -1.72 0.00 0.00 179.24 178.41 3khk h ILE 483 N 0.83 1.22 -0.27 0.35 2.04 -0.39 -0.54 117.51 120.75 3khk h ILE 483 Ca 0.21 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 3khk h ILE 483 Cb 0.02 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3khk h ILE 483 CO -0.04 0.29 0.05 -0.61 0.00 0.00 0.00 178.15 177.85 3khk h GLN 484 N 0.73 0.45 -0.66 2.37 5.75 0.13 -1.49 115.11 122.39 3khk h GLN 484 Ca 0.16 -0.12 0.04 0.00 -0.15 0.00 0.00 58.65 58.58 3khk h GLN 484 Cb 0.29 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.74 3khk h GLN 484 CO 0.00 0.56 0.39 -0.22 -2.65 0.00 0.00 178.83 176.91 3khk h LYS 485 N 0.27 0.73 0.15 1.69 3.64 -0.78 0.76 116.57 123.03 3khk h LYS 485 Ca 0.08 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3khk h LYS 485 Cb 0.32 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3khk h LYS 485 CO 0.00 0.48 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.52 3khk h LEU 486 N 0.75 -0.17 -0.04 5.20 3.38 -1.07 -2.77 115.31 120.58 3khk h LEU 486 Ca 0.28 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3khk h LEU 486 Cb 0.09 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3khk h LEU 486 CO -0.14 0.03 -0.09 0.00 0.09 0.00 0.00 178.44 178.33 3khk h ALA 487 N 0.45 -0.06 -0.78 1.53 0.00 -1.06 -2.49 119.26 116.83 3khk h ALA 487 Ca -0.02 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.05 3khk h ALA 487 Cb 0.30 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.12 3khk h ALA 487 CO 0.03 -0.57 -0.30 -0.44 0.00 0.00 0.00 179.25 177.98 3khk h ASP 488 N -0.14 -1.07 -0.53 0.00 3.32 0.51 0.27 116.42 118.79 3khk h ASP 488 Ca 0.05 0.26 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 3khk h ASP 488 Cb 0.20 0.59 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 3khk h ASP 488 CO -0.12 -0.29 0.20 0.74 -1.72 0.00 0.00 179.24 178.05 3khk h THR 489 N -0.06 1.22 0.20 0.35 2.02 -1.17 0.96 112.91 116.42 3khk h THR 489 Ca 0.32 -0.71 -0.31 0.00 0.77 0.00 0.00 66.41 66.49 3khk h THR 489 Cb 0.58 0.56 0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3khk h THR 489 CO -0.82 0.28 -1.31 0.15 0.37 0.00 0.00 175.52 174.18 3khk h PHE 490 N 0.83 0.95 0.00 3.16 3.57 -0.79 -2.99 116.94 121.67 3khk h PHE 490 Ca 0.19 -0.66 -0.04 0.00 3.53 0.00 0.00 57.97 61.00 3khk h PHE 490 Cb 0.21 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3khk h PHE 490 CO 0.01 1.50 -0.17 0.45 -2.23 0.00 0.00 178.31 177.88 3khk h HIS 491 N 0.13 0.00 0.34 0.41 3.86 0.19 -0.99 115.15 119.09 3khk h HIS 491 Ca -0.22 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.97 3khk h HIS 491 Cb 2.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.49 3khk h HIS 491 CO 0.13 0.17 -0.16 -0.91 0.86 0.00 0.00 177.93 178.02 3khk h ASN 492 N 0.00 -0.39 -0.77 2.45 2.35 0.88 -3.30 115.58 116.80 3khk h ASN 492 Ca -0.00 -0.16 0.16 0.00 -0.55 0.00 0.00 56.30 55.74 3khk h ASN 492 Cb 0.74 0.10 -0.05 0.00 0.05 0.00 0.00 38.32 39.16 3khk h ASN 492 CO 0.02 0.02 0.52 -0.25 -1.65 0.00 0.00 177.43 176.09 3khk h TRP 493 N -0.88 0.47 0.00 1.19 7.01 -1.35 -0.33 115.95 122.06 3khk h TRP 493 Ca -0.05 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.95 3khk h TRP 493 Cb 0.53 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.44 3khk h TRP 493 CO 0.03 0.17 -0.10 1.96 -2.79 0.00 0.00 178.44 177.71 3khk h GLN 494 N 0.40 0.00 0.04 2.65 4.20 -1.26 -3.24 115.11 117.90 3khk h GLN 494 Ca 0.38 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.76 3khk h GLN 494 Cb 0.92 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 3khk h GLN 494 CO -0.12 0.10 -1.84 1.04 -0.67 0.00 0.00 178.83 177.34 3khk n GLN 495 N -3.81 0.64 -3.61 1.46 6.02 -0.19 -1.53 117.38 116.36 3khk n GLN 495 Ca -0.02 0.38 -0.10 0.00 -0.01 0.00 0.00 57.00 57.25 3khk n GLN 495 Cb 0.20 -1.67 -0.02 0.00 1.02 0.00 0.00 30.24 29.77 3khk n GLN 495 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3khk s GLU 496 N -2.46 1.44 0.27 -1.09 -1.05 -0.84 -3.56 118.70 111.41 3khk s GLU 496 Ca -0.29 -0.69 -0.20 0.00 -0.15 0.00 0.00 54.97 53.63 3khk s GLU 496 Cb 0.08 0.58 0.06 0.00 -0.44 0.00 0.00 34.13 34.41 3khk s GLU 496 CO 0.63 -0.63 0.88 -0.46 0.95 0.00 0.00 175.26 176.63 3khk s TRP 497 N -3.82 0.01 0.20 4.83 -0.11 -1.26 -3.60 118.94 115.18 3khk s TRP 497 Ca 0.05 -0.51 -0.23 0.00 1.22 0.00 0.00 56.10 56.64 3khk s TRP 497 Cb -0.02 0.74 0.06 0.00 -1.50 0.00 0.00 33.47 32.75 3khk s TRP 497 CO -0.05 -1.20 0.93 -1.54 -4.62 0.00 0.00 176.95 170.47 3khk s SER 498 N -3.12 -0.13 0.42 5.86 1.04 -1.26 -4.99 113.70 111.52 3khk s SER 498 Ca 0.16 -0.56 0.14 0.00 0.48 0.00 0.00 55.95 56.17 3khk s SER 498 Cb -0.04 0.55 1.01 0.00 0.10 0.00 0.00 66.02 67.64 3khk s SER 498 CO 0.07 -1.05 1.93 1.05 0.98 0.00 0.00 173.24 176.22 3khk h GLU 499 N 2.00 0.45 -0.19 4.02 9.09 -1.98 -2.85 114.58 125.12 3khk h GLU 499 Ca -0.25 -0.03 0.05 0.00 0.05 0.00 0.00 59.36 59.18 3khk h GLU 499 Cb 1.23 -0.10 -0.05 0.00 -1.65 0.00 0.00 28.75 28.18 3khk h GLU 499 CO 0.29 0.30 -0.11 1.05 0.05 0.00 0.00 179.01 180.59 3khk h GLU 500 N 0.46 -0.09 0.00 1.06 -0.00 -2.04 -3.01 114.58 110.96 3khk h GLU 500 Ca 0.36 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.72 3khk h GLU 500 Cb 0.75 0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.52 3khk h GLU 500 CO -0.12 -0.06 0.00 0.09 -0.00 0.00 0.00 179.01 178.92 3khk n ASN 501 N -5.26 0.20 -4.75 3.06 3.02 -1.07 -4.65 115.26 105.79 3khk n ASN 501 Ca -0.02 0.55 -0.41 0.00 -0.03 0.00 0.00 54.58 54.67 3khk n ASN 501 Cb 0.18 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 38.74 3khk n ASN 501 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3khk s ASN 502 N -3.37 6.67 -0.07 6.41 0.01 -1.14 -4.95 114.94 118.49 3khk s ASN 502 Ca 0.06 2.70 0.05 0.00 -0.71 0.00 0.00 52.86 54.96 3khk s ASN 502 Cb 0.10 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 3khk s ASN 502 CO 0.31 -0.67 -0.24 -1.10 -1.51 0.00 0.00 177.10 173.90 3khk s GLN 503 N -0.89 2.62 0.52 -0.60 -0.21 -1.03 -5.01 119.66 115.05 3khk s GLN 503 Ca 0.56 -0.86 -0.21 0.00 0.02 0.00 0.00 55.36 54.87 3khk s GLN 503 Cb -0.42 -2.14 -0.06 0.00 1.00 0.00 0.00 33.01 31.40 3khk s GLN 503 CO 0.47 0.30 1.16 0.00 -2.12 0.00 0.00 175.29 175.10 3khk s ALA 504 N 0.02 2.78 -1.08 6.09 0.00 -1.26 -2.20 121.76 126.11 3khk s ALA 504 Ca -0.08 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3khk s ALA 504 Cb -0.15 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3khk s ALA 504 CO 0.05 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.43 3khk n GLY 505 N 0.31 1.12 1.14 0.00 0.00 -0.42 -4.74 105.19 102.61 3khk n GLY 505 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3khk n GLY 505 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3khk n PHE 506 N -2.58 -1.03 -4.44 1.61 7.35 -1.16 -4.84 117.46 112.36 3khk n PHE 506 Ca -0.10 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.33 3khk n PHE 506 Cb 0.39 0.29 -0.11 0.00 0.35 0.00 0.00 39.48 40.40 3khk n PHE 506 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3khk s PHE 508 N -2.00 -1.17 -0.73 0.00 5.36 -0.92 -2.46 117.98 116.06 3khk s PHE 508 Ca 0.24 2.04 -0.24 0.00 -0.96 0.00 0.00 56.93 58.02 3khk s PHE 508 Cb -0.07 0.70 0.06 0.00 -0.34 0.00 0.00 43.02 43.38 3khk s PHE 508 CO 0.12 -0.58 1.10 0.45 -1.46 0.00 0.00 175.22 174.84 3khk s SER 509 N 2.75 6.22 0.81 6.13 0.15 -1.26 -1.40 113.70 127.10 3khk s SER 509 Ca -0.05 -0.95 -0.05 0.00 0.70 0.00 0.00 55.95 55.59 3khk s SER 509 Cb -0.10 -2.47 0.10 0.00 -1.71 0.00 0.00 66.02 61.84 3khk s SER 509 CO -0.19 -1.53 0.65 0.00 1.20 0.00 0.00 173.24 173.37 3khk n ALA 510 N 8.16 -0.42 -2.18 5.45 0.00 0.45 -4.89 120.51 127.07 3khk n ALA 510 Ca 0.02 -1.00 -0.11 0.00 0.00 0.00 0.00 53.44 52.35 3khk n ALA 510 Cb 0.47 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 3khk n ALA 510 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3khk s ASP 511 N -3.46 0.97 0.41 0.00 -4.77 -1.26 -2.91 116.67 105.65 3khk s ASP 511 Ca 0.39 -1.10 0.16 0.00 -3.30 0.00 0.00 52.55 48.70 3khk s ASP 511 Cb -0.01 0.15 1.05 0.00 -1.09 0.00 0.00 42.92 43.01 3khk s ASP 511 CO 0.27 -0.56 1.85 0.25 0.70 0.00 0.00 175.17 177.68 3khk h LEU 512 N 2.87 0.45 -0.12 2.11 5.85 -1.09 -0.08 115.31 125.29 3khk h LEU 512 Ca -0.36 0.05 -0.24 0.00 0.84 0.00 0.00 57.88 58.17 3khk h LEU 512 Cb 1.18 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 42.19 3khk h LEU 512 CO 0.63 0.18 -0.90 0.00 -0.34 0.00 0.00 178.44 178.01 3khk h ALA 513 N 1.61 0.27 -0.65 1.25 0.00 -1.97 0.19 119.26 119.96 3khk h ALA 513 Ca 0.48 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3khk h ALA 513 Cb 1.13 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3khk h ALA 513 CO -0.19 0.71 0.32 1.25 0.00 0.00 0.00 179.25 181.34 3khk h LEU 514 N 0.43 0.82 -0.06 0.00 5.85 -1.49 1.01 115.31 121.87 3khk h LEU 514 Ca -0.08 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 3khk h LEU 514 Cb 1.54 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 3khk h LEU 514 CO 0.18 0.69 -0.06 0.40 -0.34 0.00 0.00 178.44 179.30 3khk h ILE 515 N 0.92 1.37 -0.51 4.05 2.04 -0.91 -2.49 117.51 121.98 3khk h ILE 515 Ca 0.23 -1.22 0.04 0.00 1.00 0.00 0.00 64.86 64.91 3khk h ILE 515 Cb 0.08 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 3khk h ILE 515 CO -0.03 0.34 0.27 -0.09 0.00 0.00 0.00 178.15 178.63 3khk h ARG 516 N -0.29 0.50 -0.65 2.37 2.43 -0.39 0.97 114.38 119.32 3khk h ARG 516 Ca 0.01 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.29 3khk h ARG 516 Cb 0.57 -0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 29.90 3khk h ARG 516 CO 0.02 0.33 0.02 -0.22 -1.51 0.00 0.00 179.97 178.61 3khk h LYS 517 N 0.52 0.13 -0.91 0.20 3.64 0.10 -1.95 116.57 118.30 3khk h LYS 517 Ca 0.22 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 3khk h LYS 517 Cb 0.12 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3khk h LYS 517 CO -0.15 0.08 0.03 0.09 -2.27 0.00 0.00 179.45 177.24 3khk n ASN 518 N -5.28 2.46 0.00 4.20 3.02 0.23 -4.83 115.26 115.05 3khk n ASN 518 Ca 0.10 -2.29 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 3khk n ASN 518 Cb 0.39 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3khk n ASN 518 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3khk n ASP 519 N 0.15 -2.24 -3.16 6.41 9.92 -0.73 -2.73 116.55 124.17 3khk n ASP 519 Ca 0.09 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.21 3khk n ASP 519 Cb 0.57 -0.77 0.07 0.00 -0.64 0.00 0.00 41.12 40.35 3khk n ASP 519 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3khk n PHE 520 N -2.54 -2.23 -4.07 1.24 3.72 -0.54 -4.90 117.46 108.14 3khk n PHE 520 Ca 0.00 0.82 -0.34 0.00 -0.05 0.00 0.00 57.45 57.87 3khk n PHE 520 Cb 0.05 -4.23 -0.07 0.00 -0.94 0.00 0.00 39.48 34.29 3khk n PHE 520 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3khk s VAL 521 N -3.36 4.96 0.00 -4.37 1.01 -1.11 -4.72 120.40 112.82 3khk s VAL 521 Ca 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3khk s VAL 521 Cb -0.04 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3khk s VAL 521 CO 0.69 0.47 0.39 0.18 0.00 0.00 0.00 175.10 176.82 3khk n LEU 522 N 1.54 0.78 -4.49 3.92 4.77 -0.22 -4.98 117.00 118.33 3khk n LEU 522 Ca -0.16 -0.87 -0.55 0.00 -0.03 0.00 0.00 56.01 54.41 3khk n LEU 522 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 3khk n LEU 522 CO 0.35 0.20 1.64 0.35 -1.33 0.00 0.00 177.39 178.60 3khk n THR 523 N -0.17 0.19 -0.39 -5.08 -2.24 -1.26 -4.82 114.28 100.50 3khk n THR 523 Ca 0.00 -0.15 0.38 0.00 -2.27 0.00 0.00 64.05 62.01 3khk n THR 523 Cb 0.01 -1.30 0.75 0.00 -2.10 0.00 0.00 70.33 67.69 3khk n THR 523 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3khk h PRO 524 N 10.15 0.03 -0.79 -0.78 0.11 -1.87 -2.10 132.00 136.74 3khk h PRO 524 Ca -0.30 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.95 3khk h PRO 524 Cb 1.34 -0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.30 3khk h PRO 524 CO 1.02 0.02 -0.32 0.78 -0.21 0.00 0.00 178.00 179.29 3khk h GLY 525 N 0.03 0.15 -0.54 -0.55 0.00 -1.92 -1.60 103.07 98.63 3khk h GLY 525 Ca 0.64 0.42 0.00 0.00 0.00 0.00 0.00 47.33 48.39 3khk h GLY 525 CO -0.04 -0.24 0.00 0.54 0.00 0.00 0.00 176.54 176.80 3khk n ARG 526 N -5.48 0.59 0.00 4.80 1.74 -0.79 -3.47 116.66 114.06 3khk n ARG 526 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3khk n ARG 526 Cb 0.39 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 3khk n ARG 526 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3khk n TYR 527 N -0.12 0.00 1.18 -1.55 4.01 -0.64 -4.89 117.16 115.16 3khk n TYR 527 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 3khk n TYR 527 Cb 0.08 0.00 0.42 0.00 -0.31 0.00 0.00 39.34 39.53 3khk n TYR 527 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3khk n VAL 528 N -0.51 0.00 -0.58 -0.72 0.24 -1.00 -4.77 118.33 110.98 3khk n VAL 528 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3khk n VAL 528 Cb 0.04 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 3khk n VAL 528 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30