#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hai n ASP 17 N 0.00 2.71 -4.83 3.42 5.75 -1.26 -4.95 116.55 117.39 3hai n ASP 17 Ca 0.00 -3.79 -0.34 0.00 -0.01 0.00 0.00 54.79 50.65 3hai n ASP 17 Cb 0.00 -0.65 -0.06 0.00 -1.03 0.00 0.00 41.12 39.38 3hai n ASP 17 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3hai s SER 18 N -2.48 6.96 0.32 -1.12 0.15 -1.26 -4.96 113.70 111.30 3hai s SER 18 Ca 0.46 1.41 0.06 0.00 0.70 0.00 0.00 55.95 58.59 3hai s SER 18 Cb 0.42 -2.42 0.89 0.00 -1.71 0.00 0.00 66.02 63.19 3hai s SER 18 CO 0.00 -0.10 1.59 0.15 1.20 0.00 0.00 173.24 176.09 3hai h PHE 19 N 2.83 0.26 0.00 3.44 3.04 -1.97 -0.43 116.94 124.12 3hai h PHE 19 Ca -0.48 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.53 3hai h PHE 19 Cb 1.18 0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.74 3hai h PHE 19 CO 0.63 -0.39 -0.03 0.91 -2.02 0.00 0.00 178.31 177.41 3hai n TRP 20 N -5.37 0.04 -2.46 0.41 7.02 -1.26 -4.22 117.44 111.61 3hai n TRP 20 Ca 0.26 0.01 -0.40 0.00 -1.02 0.00 0.00 57.50 56.35 3hai n TRP 20 Cb 0.87 -0.51 -0.04 0.00 -2.42 0.00 0.00 31.31 29.21 3hai n TRP 20 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3hai s GLU 21 N -3.00 4.59 0.06 -0.99 0.41 -0.17 -4.93 118.70 114.67 3hai s GLU 21 Ca 0.14 1.80 -0.34 0.00 -0.41 0.00 0.00 54.97 56.16 3hai s GLU 21 Cb 0.19 -3.13 -0.18 0.00 -1.78 0.00 0.00 34.13 29.22 3hai s GLU 21 CO 0.54 0.16 0.84 0.28 -0.49 0.00 0.00 175.26 176.60 3hai n VAL 22 N 1.07 0.63 -0.01 2.63 0.31 -1.26 -2.34 118.33 119.36 3hai n VAL 22 Ca -0.01 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3hai n VAL 22 Cb 0.45 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 3hai n VAL 22 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hai n GLY 23 N 1.59 1.63 0.41 2.92 0.00 -1.26 -4.89 105.19 105.58 3hai n GLY 23 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 3hai n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hai n ASN 24 N 0.00 1.21 0.10 1.61 3.02 -0.99 -3.34 115.26 116.88 3hai n ASN 24 Ca 0.00 -1.80 0.11 0.00 -0.03 0.00 0.00 54.58 52.86 3hai n ASN 24 Cb 0.00 -0.11 0.45 0.00 -0.61 0.00 0.00 39.78 39.51 3hai n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hai n TYR 25 N 0.08 0.65 -0.35 3.10 4.11 -1.26 -3.84 117.16 119.65 3hai n TYR 25 Ca 0.12 0.25 0.06 0.00 -0.00 0.00 0.00 57.90 58.33 3hai n TYR 25 Cb 0.23 -0.91 0.22 0.00 -0.00 0.00 0.00 39.34 38.88 3hai n TYR 25 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 3hai h LYS 26 N 0.00 0.97 -0.20 -3.48 1.57 -1.95 -1.37 116.57 112.10 3hai h LYS 26 Ca 0.00 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3hai h LYS 26 Cb 0.36 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3hai h LYS 26 CO 0.00 0.64 0.14 0.00 -0.57 0.00 0.00 179.45 179.66 3hai h ARG 27 N 1.00 0.01 0.00 3.15 3.08 -1.90 1.85 114.38 121.57 3hai h ARG 27 Ca 0.47 -0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.32 3hai h ARG 27 Cb 0.42 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3hai h ARG 27 CO -0.25 0.01 -1.47 0.00 -1.07 0.00 0.00 179.97 177.19 3hai h THR 28 N 0.01 0.60 -0.35 2.04 1.03 -1.64 -2.95 112.91 111.66 3hai h THR 28 Ca 0.09 -2.19 -0.17 0.00 -0.01 0.00 0.00 66.41 64.14 3hai h THR 28 Cb 0.37 2.15 -0.00 0.00 -1.07 0.00 0.00 68.15 69.59 3hai h THR 28 CO -0.00 0.34 -0.44 0.58 -0.01 0.00 0.00 175.52 175.99 3hai h VAL 29 N 0.00 1.27 -0.21 0.00 2.07 0.52 -2.88 116.25 117.02 3hai h VAL 29 Ca -0.19 -1.61 -0.06 0.00 0.82 0.00 0.00 66.70 65.66 3hai h VAL 29 Cb 1.70 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3hai h VAL 29 CO 0.06 0.54 -0.13 0.50 0.02 0.00 0.00 177.57 178.55 3hai h LYS 30 N 0.72 0.34 -0.55 1.57 3.64 0.26 -2.35 116.57 120.20 3hai h LYS 30 Ca 0.05 -0.09 0.16 0.00 -1.27 0.00 0.00 60.65 59.50 3hai h LYS 30 Cb 1.03 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 3hai h LYS 30 CO 0.10 0.47 0.39 -0.09 -2.27 0.00 0.00 179.45 178.06 3hai h ARG 31 N 0.32 0.01 -0.02 1.90 2.43 -1.32 0.13 114.38 117.83 3hai h ARG 31 Ca 0.06 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3hai h ARG 31 Cb 0.42 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3hai h ARG 31 CO 0.02 0.01 -0.14 0.82 -1.51 0.00 0.00 179.97 179.17 3hai h ILE 32 N 0.01 1.50 -0.90 1.20 2.04 -1.44 -1.33 117.51 118.60 3hai h ILE 32 Ca 0.26 -1.68 0.05 0.00 1.00 0.00 0.00 64.86 64.49 3hai h ILE 32 Cb 1.02 2.54 -0.06 0.00 -0.74 0.00 0.00 36.82 39.59 3hai h ILE 32 CO -0.01 0.46 0.58 0.44 0.00 0.00 0.00 178.15 179.61 3hai h ASP 33 N -0.47 0.94 0.10 1.72 3.32 -1.38 -2.79 116.42 117.86 3hai h ASP 33 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hai h ASP 33 Cb 0.82 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3hai h ASP 33 CO 0.03 0.63 -0.05 0.44 -1.72 0.00 0.00 179.24 178.57 3hai h ASP 34 N 1.09 -0.11 -0.74 6.45 3.32 -0.71 -2.69 116.42 123.04 3hai h ASP 34 Ca 0.37 -0.09 0.18 0.00 0.02 0.00 0.00 57.03 57.51 3hai h ASP 34 Cb 0.07 0.03 -0.14 0.00 0.22 0.00 0.00 39.33 39.51 3hai h ASP 34 CO -0.14 0.02 -0.07 0.61 -1.72 0.00 0.00 179.24 177.94 3hai n GLY 35 N -0.87 -1.11 0.48 2.75 0.00 -0.51 -0.18 105.19 105.75 3hai n GLY 35 Ca -0.08 0.76 -0.19 0.00 0.00 0.00 0.00 46.02 46.50 3hai n GLY 35 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3hai h HIS 36 N 0.00 -1.13 -0.81 1.61 -0.00 -1.48 -2.88 115.15 110.47 3hai h HIS 36 Ca 0.41 -0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.76 3hai h HIS 36 Cb 0.76 0.37 -0.04 0.00 -0.00 0.00 0.00 27.41 28.51 3hai h HIS 36 CO -0.46 -0.70 0.53 0.07 -0.00 0.00 0.00 177.93 177.37 3hai h ARG 37 N -1.28 1.07 0.00 5.26 -0.00 -0.51 0.96 114.38 119.88 3hai h ARG 37 Ca -0.12 -0.07 0.00 0.00 -0.00 0.00 0.00 59.98 59.79 3hai h ARG 37 Cb 0.94 -0.24 0.00 0.00 -0.00 0.00 0.00 29.97 30.67 3hai h ARG 37 CO 0.20 0.72 0.07 -0.07 -0.00 0.00 0.00 179.97 180.89 3hai h LEU 38 N 1.10 0.00 0.00 0.08 -0.00 -1.27 0.20 115.31 115.42 3hai h LEU 38 Ca 0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.18 3hai h LEU 38 Cb -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 3hai h LEU 38 CO -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 178.44 178.38 3hai h ASN 40 N -1.00 -1.31 -0.66 0.00 2.35 -0.79 -1.02 115.58 113.15 3hai h ASN 40 Ca -0.00 0.15 0.06 0.00 -0.55 0.00 0.00 56.30 55.96 3hai h ASN 40 Cb 0.95 0.51 -0.08 0.00 0.05 0.00 0.00 38.32 39.75 3hai h ASN 40 CO 0.00 -0.38 -0.39 0.47 -1.65 0.00 0.00 177.43 175.48 3hai n ASP 41 N -4.77 -0.70 0.02 5.81 8.00 0.61 -0.39 116.55 125.13 3hai n ASP 41 Ca -0.05 1.28 -0.10 0.00 0.71 0.00 0.00 54.79 56.63 3hai n ASP 41 Cb 0.30 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.15 3hai n ASP 41 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3hai h LEU 42 N 0.00 -0.45 -0.50 0.64 7.12 -1.10 -0.69 115.31 120.33 3hai h LEU 42 Ca 0.11 0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.29 3hai h LEU 42 Cb 0.27 0.21 -0.10 0.00 -0.53 0.00 0.00 40.66 40.50 3hai h LEU 42 CO -0.62 -0.20 -0.27 0.24 -0.13 0.00 0.00 178.44 177.46 3hai h MET 43 N -0.20 -0.15 -1.00 1.25 2.86 0.63 0.23 114.93 118.55 3hai h MET 43 Ca 0.08 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.83 3hai h MET 43 Cb 0.31 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.93 3hai h MET 43 CO -0.20 -0.10 0.63 -0.91 1.06 0.00 0.00 176.91 177.38 3hai h ASN 44 N -0.15 0.95 -0.40 1.22 -0.26 0.12 -0.47 115.58 116.59 3hai h ASN 44 Ca 0.22 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.99 3hai h ASN 44 Cb 0.51 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 3hai h ASN 44 CO -0.59 0.53 0.21 0.00 -1.06 0.00 0.00 177.43 176.52 3hai h VAL 46 N 0.51 1.21 0.10 0.00 2.07 0.47 -2.10 116.25 118.51 3hai h VAL 46 Ca 0.14 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3hai h VAL 46 Cb 0.07 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3hai h VAL 46 CO -0.02 0.28 -0.05 -0.61 0.02 0.00 0.00 177.57 177.19 3hai h GLN 47 N 0.02 -0.13 0.48 1.57 4.15 -0.65 -1.46 115.11 119.08 3hai h GLN 47 Ca 0.00 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3hai h GLN 47 Cb 0.51 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 3hai h GLN 47 CO 0.04 0.29 -0.42 0.93 -1.93 0.00 0.00 178.83 177.74 3hai h GLU 48 N -0.61 -0.85 0.00 1.69 5.08 -1.05 0.38 114.58 119.23 3hai h GLU 48 Ca -0.01 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hai h GLU 48 Cb 0.49 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3hai h GLU 48 CO 0.02 -0.56 0.02 -2.13 -1.00 0.00 0.00 179.01 175.36 3hai n ARG 49 N -4.97 0.00 0.00 2.33 3.00 -0.80 0.60 116.66 116.82 3hai n ARG 49 Ca -0.11 0.19 -0.22 0.00 -0.00 0.00 0.00 57.85 57.71 3hai n ARG 49 Cb 0.39 -1.52 -0.14 0.00 0.00 0.00 0.00 32.46 31.20 3hai n ARG 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hai h ALA 50 N 1.81 0.38 0.10 5.13 0.00 0.71 -3.28 119.26 124.10 3hai h ALA 50 Ca 0.00 -1.34 -0.00 0.00 0.00 0.00 0.00 54.91 53.57 3hai h ALA 50 Cb 0.04 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hai h ALA 50 CO 0.00 1.20 -0.05 -0.22 0.00 0.00 0.00 179.25 180.18 3hai h LYS 51 N -0.06 -0.12 -0.52 0.00 3.64 0.35 -1.74 116.57 118.11 3hai h LYS 51 Ca -0.40 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.10 3hai h LYS 51 Cb 1.95 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.77 3hai h LYS 51 CO 0.06 0.06 0.36 0.82 -2.27 0.00 0.00 179.45 178.48 3hai h ILE 52 N -0.28 0.84 -0.00 2.00 2.04 -1.20 0.18 117.51 121.09 3hai h ILE 52 Ca -0.01 -0.08 -0.17 0.00 1.00 0.00 0.00 64.86 65.60 3hai h ILE 52 Cb 0.24 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3hai h ILE 52 CO 0.02 0.04 -0.79 -0.33 0.00 0.00 0.00 178.15 177.09 3hai h GLU 53 N 0.22 0.02 0.07 2.37 4.39 -1.51 -3.13 114.58 117.01 3hai h GLU 53 Ca 0.25 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.76 3hai h GLU 53 Cb 0.67 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.34 3hai h GLU 53 CO -0.05 0.80 -0.69 -0.22 -1.16 0.00 0.00 179.01 177.70 3hai h LYS 54 N 0.01 0.33 -0.08 2.33 3.64 0.13 -3.24 116.57 119.70 3hai h LYS 54 Ca -0.01 -0.46 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 3hai h LYS 54 Cb 1.40 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.37 3hai h LYS 54 CO 0.10 1.17 -0.06 0.00 -2.27 0.00 0.00 179.45 178.39 3hai h ALA 55 N 0.19 -0.20 -0.66 5.00 0.00 -1.01 0.56 119.26 123.13 3hai h ALA 55 Ca -0.11 0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.94 3hai h ALA 55 Cb 1.47 0.90 -0.12 0.00 0.00 0.00 0.00 17.79 20.03 3hai h ALA 55 CO 0.13 -0.24 -0.17 0.98 0.00 0.00 0.00 179.25 179.95 3hai n TYR 56 N -3.13 0.22 0.05 0.00 9.36 -1.18 0.91 117.16 123.39 3hai n TYR 56 Ca -0.00 0.80 0.01 0.00 3.32 0.00 0.00 57.90 62.03 3hai n TYR 56 Cb 0.03 -0.87 0.35 0.00 -0.63 0.00 0.00 39.34 38.22 3hai n TYR 56 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3hai h GLY 57 N 0.00 0.45 0.38 2.98 0.00 0.02 -2.08 103.07 104.81 3hai h GLY 57 Ca 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3hai h GLY 57 CO -0.67 0.24 -0.12 1.46 0.00 0.00 0.00 176.54 177.44 3hai h GLN 58 N 0.41 -0.33 -0.77 4.80 1.08 0.22 -1.25 115.11 119.25 3hai h GLN 58 Ca 0.09 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.42 3hai h GLN 58 Cb 0.29 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.72 3hai h GLN 58 CO 0.01 -0.02 0.39 1.96 -0.95 0.00 0.00 178.83 180.23 3hai h GLN 59 N -0.97 0.62 -0.77 1.46 4.20 -1.47 0.65 115.11 118.82 3hai h GLN 59 Ca -0.04 -0.04 0.15 0.00 0.06 0.00 0.00 58.65 58.79 3hai h GLN 59 Cb 0.47 -0.14 -0.10 0.00 0.30 0.00 0.00 27.48 28.01 3hai h GLN 59 CO 0.06 0.41 0.30 -0.07 -0.67 0.00 0.00 178.83 178.86 3hai h LEU 60 N 0.64 0.27 -0.27 1.46 -0.00 -1.39 0.79 115.31 116.81 3hai h LEU 60 Ca 0.39 0.12 -0.11 0.00 -0.00 0.00 0.00 57.88 58.27 3hai h LEU 60 Cb 0.45 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.20 3hai h LEU 60 CO -0.29 0.09 -0.27 0.74 -0.00 0.00 0.00 178.44 178.70 3hai h THR 61 N 0.43 1.31 -0.60 0.22 2.02 0.11 -2.55 112.91 113.85 3hai h THR 61 Ca 0.43 -1.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.09 3hai h THR 61 Cb 0.68 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 3hai h THR 61 CO -0.43 0.45 0.04 0.44 0.37 0.00 0.00 175.52 176.40 3hai h ASP 62 N 0.38 1.01 0.38 4.18 3.32 0.69 -2.67 116.42 123.72 3hai h ASP 62 Ca 0.04 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 3hai h ASP 62 Cb 0.83 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3hai h ASP 62 CO 0.07 1.05 -0.26 -0.25 -1.72 0.00 0.00 179.24 178.13 3hai h TRP 63 N 0.94 -0.67 -0.81 4.55 7.01 0.66 -1.43 115.95 126.19 3hai h TRP 63 Ca 0.18 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.28 3hai h TRP 63 Cb 0.51 0.24 -0.08 0.00 -2.10 0.00 0.00 29.16 27.73 3hai h TRP 63 CO 0.04 -0.39 0.45 0.00 -2.79 0.00 0.00 178.44 175.75 3hai h ALA 64 N -0.06 1.17 0.09 2.65 0.00 -1.45 -2.62 119.26 119.04 3hai h ALA 64 Ca -0.04 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hai h ALA 64 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hai h ALA 64 CO 0.03 0.04 -0.04 -0.22 0.00 0.00 0.00 179.25 179.06 3hai h LYS 65 N 0.73 -0.11 -0.94 0.00 3.64 -1.08 -1.35 116.57 117.47 3hai h LYS 65 Ca 0.41 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.86 3hai h LYS 65 Cb 0.43 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.21 3hai h LYS 65 CO -0.27 0.07 0.59 -0.09 -2.27 0.00 0.00 179.45 177.48 3hai h ARG 66 N -0.27 1.05 0.15 1.90 2.43 -0.92 -2.57 114.38 116.14 3hai h ARG 66 Ca -0.01 -0.06 -0.25 0.00 -0.81 0.00 0.00 59.98 58.84 3hai h ARG 66 Cb 0.23 -0.24 0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3hai h ARG 66 CO 0.02 0.69 -1.19 -1.49 -1.51 0.00 0.00 179.97 176.49 3hai h TRP 67 N 1.08 0.59 -0.39 2.20 4.06 -1.40 -0.98 115.95 121.10 3hai h TRP 67 Ca 0.41 -0.43 0.11 0.00 2.06 0.00 0.00 58.89 61.04 3hai h TRP 67 Cb 0.17 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 3hai h TRP 67 CO -0.02 1.46 0.59 0.00 -3.56 0.00 0.00 178.44 176.91 3hai h ARG 68 N -0.24 0.00 0.00 0.49 3.08 -1.11 0.22 114.38 116.82 3hai h ARG 68 Ca -0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 3hai h ARG 68 Cb 1.80 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.85 3hai h ARG 68 CO 0.14 0.00 -0.14 0.37 -1.07 0.00 0.00 179.97 179.28 3hai h GLN 69 N 0.00 0.00 -0.08 0.04 4.15 -1.29 -2.85 115.11 115.07 3hai h GLN 69 Ca 0.19 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.64 3hai h GLN 69 Cb 1.35 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.98 3hai h GLN 69 CO -0.00 0.30 -0.42 -0.07 -1.93 0.00 0.00 178.83 176.71 3hai h LEU 70 N -1.00 -1.30 -0.61 -2.39 3.38 0.57 0.22 115.31 114.18 3hai h LEU 70 Ca -0.02 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hai h LEU 70 Cb 0.39 0.52 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3hai h LEU 70 CO -0.01 -0.44 0.00 2.30 0.09 0.00 0.00 178.44 180.38 3hai n ILE 71 N -5.44 0.94 -0.01 1.22 -5.35 0.50 0.83 119.36 112.04 3hai n ILE 71 Ca -0.05 0.30 -0.17 0.00 -0.27 0.00 0.00 62.75 62.56 3hai n ILE 71 Cb 0.36 -1.21 -0.08 0.00 -1.74 0.00 0.00 39.64 36.97 3hai n ILE 71 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3hai h GLU 72 N 0.00 0.66 -0.66 6.28 4.81 -0.42 -2.81 114.58 122.45 3hai h GLU 72 Ca 0.00 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 3hai h GLU 72 Cb 0.28 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3hai h GLU 72 CO 0.00 1.19 0.00 1.17 -0.73 0.00 0.00 179.01 180.64 3hai n LYS 73 N -4.05 2.93 -2.03 1.92 4.81 0.05 -4.90 118.16 116.89 3hai n LYS 73 Ca -0.08 -1.78 -0.30 0.00 -0.87 0.00 0.00 58.31 55.27 3hai n LYS 73 Cb 0.71 -1.77 0.01 0.00 0.02 0.00 0.00 35.03 34.00 3hai n LYS 73 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3hai s GLY 74 N -0.62 1.62 0.53 3.14 0.00 0.24 -4.99 107.32 107.25 3hai s GLY 74 Ca 0.31 -0.21 0.32 0.00 0.00 0.00 0.00 44.72 45.15 3hai s GLY 74 CO 0.13 0.05 1.93 -2.55 0.00 0.00 0.00 173.10 172.66 3hai h PRO 75 N -0.23 0.00 -6.52 2.90 0.11 -1.88 -3.46 132.00 122.91 3hai h PRO 75 Ca -0.45 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.14 3hai h PRO 75 Cb 1.20 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.35 3hai h PRO 75 CO 0.62 0.01 1.03 -1.14 -0.21 0.00 0.00 178.00 178.31 3hai s GLN 76 N -3.61 4.17 0.00 1.05 2.00 -1.26 -4.88 119.66 117.12 3hai s GLN 76 Ca 0.02 2.47 0.00 0.00 -2.00 0.00 0.00 55.36 55.85 3hai s GLN 76 Cb 0.09 -3.46 0.00 0.00 0.80 0.00 0.00 33.01 30.43 3hai s GLN 76 CO 0.56 -0.76 0.00 2.48 -0.50 0.00 0.00 175.29 177.08 3hai n TYR 77 N 5.18 0.00 -2.51 1.67 4.11 -1.26 -4.76 117.16 119.59 3hai n TYR 77 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.06 3hai n TYR 77 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.73 3hai n TYR 77 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3hai n GLY 78 N 0.41 4.17 0.45 -7.48 0.00 -1.26 -4.91 105.19 96.57 3hai n GLY 78 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3hai n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hai n SER 79 N -0.23 0.54 -0.01 1.61 7.64 -1.26 -1.81 113.62 120.10 3hai n SER 79 Ca 0.00 -1.20 0.05 0.00 1.01 0.00 0.00 58.87 58.73 3hai n SER 79 Cb 0.00 -0.27 -0.08 0.00 -1.01 0.00 0.00 64.21 62.85 3hai n SER 79 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hai n LEU 80 N 0.13 0.00 -0.04 -3.43 4.77 -1.26 -3.73 117.00 113.44 3hai n LEU 80 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3hai n LEU 80 Cb 0.13 0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 3hai n LEU 80 CO 0.00 0.01 0.47 1.05 -1.33 0.00 0.00 177.39 177.58 3hai h GLU 81 N 0.00 0.41 -0.47 3.23 4.11 -1.65 -1.73 114.58 118.47 3hai h GLU 81 Ca -0.01 -0.29 -0.01 0.00 0.07 0.00 0.00 59.36 59.12 3hai h GLU 81 Cb 0.50 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3hai h GLU 81 CO 0.00 0.91 0.26 0.00 0.07 0.00 0.00 179.01 180.25 3hai h ARG 82 N -0.02 0.66 -0.36 1.06 3.08 -1.78 0.52 114.38 117.54 3hai h ARG 82 Ca -0.01 -0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.07 3hai h ARG 82 Cb 0.94 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 3hai h ARG 82 CO 0.07 0.52 0.43 0.00 -1.07 0.00 0.00 179.97 179.92 3hai h ALA 83 N 1.11 2.02 0.13 0.04 0.00 -1.63 0.47 119.26 121.40 3hai h ALA 83 Ca 0.17 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.71 3hai h ALA 83 Cb 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hai h ALA 83 CO -0.03 -0.62 -1.87 2.35 0.00 0.00 0.00 179.25 179.08 3hai h TRP 84 N 0.00 0.50 -0.40 0.00 2.91 -0.03 -3.25 115.95 115.69 3hai h TRP 84 Ca 0.17 -0.36 0.11 0.00 1.13 0.00 0.00 58.89 59.94 3hai h TRP 84 Cb 1.03 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.65 3hai h TRP 84 CO 0.00 1.65 0.43 0.78 -1.03 0.00 0.00 178.44 180.28 3hai h GLY 85 N 1.27 0.00 0.11 2.65 0.00 0.46 -1.85 103.07 105.71 3hai h GLY 85 Ca -0.38 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.04 3hai h GLY 85 CO 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.51 3hai h ALA 86 N 1.50 0.18 0.00 3.60 0.00 -1.13 0.18 119.26 123.60 3hai h ALA 86 Ca 0.19 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hai h ALA 86 Cb 1.05 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3hai h ALA 86 CO -0.00 -0.50 0.00 -0.89 0.00 0.00 0.00 179.25 177.85 3hai n ILE 87 N -5.34 0.59 -0.07 0.00 -0.00 -0.69 -1.37 119.36 112.48 3hai n ILE 87 Ca 0.02 0.15 -0.05 0.00 -0.00 0.00 0.00 62.75 62.87 3hai n ILE 87 Cb 0.25 -0.91 -0.02 0.00 -0.00 0.00 0.00 39.64 38.96 3hai n ILE 87 CO 0.00 0.00 0.00 0.24 -0.00 0.00 0.00 176.55 176.79 3hai h MET 88 N 0.00 0.00 -0.84 0.38 2.86 -0.78 -3.20 114.93 113.34 3hai h MET 88 Ca 0.00 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.88 3hai h MET 88 Cb 0.14 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3hai h MET 88 CO 0.00 0.11 0.61 1.79 1.06 0.00 0.00 176.91 180.49 3hai h THR 89 N -1.00 0.57 -0.35 2.22 1.35 -1.07 -0.13 112.91 114.50 3hai h THR 89 Ca -0.03 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.76 3hai h THR 89 Cb 0.42 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 3hai h THR 89 CO -0.02 0.00 -0.06 1.05 -0.25 0.00 0.00 175.52 176.24 3hai h GLU 90 N 0.00 0.66 -0.54 4.72 -0.00 -1.34 -1.54 114.58 116.54 3hai h GLU 90 Ca 0.40 -0.24 -0.09 0.00 -0.00 0.00 0.00 59.36 59.44 3hai h GLU 90 Cb 1.62 -0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 30.31 3hai h GLU 90 CO -0.00 0.81 -0.01 0.00 -0.00 0.00 0.00 179.01 179.81 3hai h ALA 91 N 0.83 0.97 -0.02 1.06 0.00 -1.04 0.24 119.26 121.31 3hai h ALA 91 Ca 0.09 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3hai h ALA 91 Cb 0.55 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3hai h ALA 91 CO 0.03 0.62 -0.25 -0.44 0.00 0.00 0.00 179.25 179.21 3hai h ASP 92 N 0.85 -0.74 -0.39 0.00 3.32 -1.11 0.15 116.42 118.50 3hai h ASP 92 Ca 0.16 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 3hai h ASP 92 Cb 0.51 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 3hai h ASP 92 CO 0.03 -0.32 0.11 0.11 -1.72 0.00 0.00 179.24 177.45 3hai h LYS 93 N -0.38 0.69 -0.07 3.56 1.57 -0.73 -1.10 116.57 120.10 3hai h LYS 93 Ca 0.07 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 3hai h LYS 93 Cb 0.47 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3hai h LYS 93 CO -0.23 0.63 -0.37 0.28 -0.57 0.00 0.00 179.45 179.19 3hai h VAL 94 N 0.67 1.28 0.27 0.50 2.07 0.13 -2.04 116.25 119.14 3hai h VAL 94 Ca 0.15 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 3hai h VAL 94 Cb 0.26 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3hai h VAL 94 CO -0.00 0.40 -0.13 0.77 0.02 0.00 0.00 177.57 178.63 3hai h SER 95 N 0.13 -0.31 -0.68 0.57 4.64 0.36 -0.77 113.55 117.49 3hai h SER 95 Ca 0.01 -0.20 0.14 0.00 -0.47 0.00 0.00 61.79 61.27 3hai h SER 95 Cb 0.71 0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 62.78 3hai h SER 95 CO 0.05 0.07 0.17 -0.08 -0.87 0.00 0.00 176.83 176.17 3hai h GLU 96 N -0.74 0.28 -0.34 4.77 4.81 -1.08 1.18 114.58 123.46 3hai h GLU 96 Ca -0.04 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 3hai h GLU 96 Cb 0.49 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 3hai h GLU 96 CO 0.06 0.18 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.33 3hai h LEU 97 N 0.29 0.59 0.00 1.64 -0.00 -1.39 -1.63 115.31 114.81 3hai h LEU 97 Ca 0.37 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 3hai h LEU 97 Cb 0.60 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 3hai h LEU 97 CO -0.46 0.74 -0.05 0.45 -0.00 0.00 0.00 178.44 179.12 3hai h HIS 98 N 0.55 0.00 0.20 1.13 3.86 0.18 -3.16 115.15 117.91 3hai h HIS 98 Ca 0.10 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.98 3hai h HIS 98 Cb 0.54 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.03 3hai h HIS 98 CO 0.02 0.00 -1.54 1.96 0.86 0.00 0.00 177.93 179.23 3hai h GLN 99 N 0.00 0.43 -0.83 2.45 1.08 0.16 -3.21 115.11 115.18 3hai h GLN 99 Ca 0.00 -0.73 0.06 0.00 -1.45 0.00 0.00 58.65 56.53 3hai h GLN 99 Cb 0.77 0.27 -0.05 0.00 -0.05 0.00 0.00 27.48 28.42 3hai h GLN 99 CO 0.00 1.34 0.54 1.49 -0.95 0.00 0.00 178.83 181.25 3hai h GLU 100 N 0.12 0.90 -0.51 1.46 4.81 -1.31 -0.76 114.58 119.29 3hai h GLU 100 Ca -0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3hai h GLU 100 Cb 2.11 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 31.26 3hai h GLU 100 CO 0.22 0.60 0.33 0.28 -0.73 0.00 0.00 179.01 179.71 3hai h VAL 101 N 0.93 1.14 0.39 0.32 2.07 -1.60 0.39 116.25 119.90 3hai h VAL 101 Ca 0.35 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3hai h VAL 101 Cb 0.20 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3hai h VAL 101 CO -0.12 0.14 -0.41 0.50 0.02 0.00 0.00 177.57 177.70 3hai h LYS 102 N 0.69 -0.77 -0.24 1.57 3.64 -1.35 -0.22 116.57 119.89 3hai h LYS 102 Ca 0.19 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3hai h LYS 102 Cb -0.06 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 3hai h LYS 102 CO -0.04 -0.51 -0.27 -0.91 -2.27 0.00 0.00 179.45 175.45 3hai h ASN 103 N -0.80 -0.91 -1.08 4.20 4.21 -0.78 0.16 115.58 120.58 3hai h ASN 103 Ca -0.05 0.12 0.29 0.00 1.21 0.00 0.00 56.30 57.87 3hai h ASN 103 Cb 0.70 0.38 -0.08 0.00 -1.12 0.00 0.00 38.32 38.19 3hai h ASN 103 CO -0.06 -0.18 0.71 0.78 -1.29 0.00 0.00 177.43 177.40 3hai h ASN 104 N -0.16 0.33 -0.47 5.81 2.35 -0.17 1.36 115.58 124.63 3hai h ASN 104 Ca 0.04 0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 3hai h ASN 104 Cb 0.27 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3hai h ASN 104 CO -0.31 0.05 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.34 3hai h LEU 105 N 0.28 0.92 0.03 1.61 3.38 0.11 -1.63 115.31 120.01 3hai h LEU 105 Ca 0.59 -0.36 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 3hai h LEU 105 Cb 1.72 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 3hai h LEU 105 CO -0.23 1.07 -1.02 -0.07 0.09 0.00 0.00 178.44 178.28 3hai h LEU 106 N 0.76 0.10 -0.58 1.67 3.38 0.24 0.24 115.31 121.11 3hai h LEU 106 Ca 0.12 -0.72 -0.14 0.00 0.09 0.00 0.00 57.88 57.23 3hai h LEU 106 Cb 0.67 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3hai h LEU 106 CO 0.05 1.42 -0.40 0.78 0.09 0.00 0.00 178.44 180.37 3hai h ASN 107 N -0.81 0.72 0.00 -0.43 2.35 0.13 -3.24 115.58 114.31 3hai h ASN 107 Ca -0.26 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 3hai h ASN 107 Cb 1.36 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.52 3hai h ASN 107 CO -0.09 1.04 0.00 -0.62 -1.65 0.00 0.00 177.43 176.11 3hai n GLU 108 N -4.03 0.00 -0.31 0.81 -0.58 -0.88 -4.46 120.64 111.18 3hai n GLU 108 Ca -0.02 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.84 3hai n GLU 108 Cb 0.53 0.00 0.29 0.00 -0.57 0.00 0.00 31.44 31.69 3hai n GLU 108 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3hai h ASP 109 N 0.00 0.52 -0.23 1.62 3.32 -1.35 0.81 116.42 121.11 3hai h ASP 109 Ca 0.00 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 3hai h ASP 109 Cb 0.00 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3hai h ASP 109 CO 0.00 0.13 -0.16 0.25 -1.72 0.00 0.00 179.24 177.74 3hai h LEU 110 N 0.56 0.55 -1.10 1.55 5.85 -0.65 -2.62 115.31 119.44 3hai h LEU 110 Ca 0.54 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 3hai h LEU 110 Cb 0.92 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3hai h LEU 110 CO -0.44 0.87 -0.36 -0.08 -0.34 0.00 0.00 178.44 178.09 3hai h GLU 111 N 0.22 0.00 -0.08 1.25 4.57 -1.10 -2.16 114.58 117.29 3hai h GLU 111 Ca 0.05 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3hai h GLU 111 Cb 0.69 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 3hai h GLU 111 CO 0.04 0.36 -0.04 -0.22 -1.18 0.00 0.00 179.01 177.98 3hai h LYS 112 N 0.00 0.17 0.00 1.92 3.64 -0.90 -1.91 116.57 119.49 3hai h LYS 112 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3hai h LYS 112 Cb 0.80 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3hai h LYS 112 CO 0.05 0.53 0.00 0.28 -2.27 0.00 0.00 179.45 178.04 3hai h VAL 113 N -0.21 0.00 0.00 2.00 2.07 -1.24 -1.84 116.25 117.04 3hai h VAL 113 Ca 0.02 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3hai h VAL 113 Cb 0.48 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3hai h VAL 113 CO 0.01 0.00 -0.26 0.50 0.02 0.00 0.00 177.57 177.84 3hai h LYS 114 N 0.00 0.00 -0.50 1.57 3.64 -1.28 -3.14 116.57 116.87 3hai h LYS 114 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3hai h LYS 114 Cb 0.40 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.13 3hai h LYS 114 CO 0.00 0.29 -0.09 -0.91 -2.27 0.00 0.00 179.45 176.46 3hai h ASN 115 N -1.00 -0.40 -0.97 4.20 2.35 -1.33 0.51 115.58 118.93 3hai h ASN 115 Ca -0.04 0.14 0.12 0.00 -0.55 0.00 0.00 56.30 55.97 3hai h ASN 115 Cb 0.45 0.28 -0.08 0.00 0.05 0.00 0.00 38.32 39.02 3hai h ASN 115 CO -0.02 -0.14 0.62 -0.25 -1.65 0.00 0.00 177.43 175.98 3hai h TRP 116 N 0.03 1.08 -0.37 1.19 7.01 -1.50 -1.02 115.95 122.36 3hai h TRP 116 Ca 0.24 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 61.13 3hai h TRP 116 Cb 0.37 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 3hai h TRP 116 CO -0.39 0.44 -0.34 0.37 -2.79 0.00 0.00 178.44 175.72 3hai h GLN 117 N 0.95 0.85 -0.62 2.65 4.15 -0.47 -3.05 115.11 119.57 3hai h GLN 117 Ca 0.48 -0.42 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 3hai h GLN 117 Cb 0.49 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 3hai h GLN 117 CO -0.24 1.06 0.19 -0.22 -1.93 0.00 0.00 178.83 177.69 3hai h LYS 118 N 0.71 0.94 -0.01 1.69 3.64 0.10 -2.87 116.57 120.77 3hai h LYS 118 Ca 0.07 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3hai h LYS 118 Cb 0.91 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3hai h LYS 118 CO 0.08 0.81 0.00 -0.25 -2.27 0.00 0.00 179.45 177.83 3hai n ASP 119 N -4.28 1.21 0.00 4.20 8.00 -0.60 -3.97 116.55 121.12 3hai n ASP 119 Ca 0.05 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.14 3hai n ASP 119 Cb 0.21 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3hai n ASP 119 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hai n ALA 120 N -0.05 1.49 -3.48 2.24 0.00 -1.16 -4.98 120.51 114.57 3hai n ALA 120 Ca 0.20 -0.71 -0.11 0.00 0.00 0.00 0.00 53.44 52.82 3hai n ALA 120 Cb 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.66 3hai n ALA 120 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hai s TYR 121 N -0.46 -0.69 -0.26 0.00 2.02 -1.09 -4.95 117.35 111.93 3hai s TYR 121 Ca 0.00 0.91 0.00 0.00 -0.37 0.00 0.00 57.07 57.61 3hai s TYR 121 Cb 0.00 0.02 0.07 0.00 -0.40 0.00 0.00 41.96 41.65 3hai s TYR 121 CO 0.00 -0.60 0.01 -1.01 -1.57 0.00 0.00 175.55 172.38 3hai s HIS 122 N 2.51 2.17 0.77 2.71 3.76 -1.26 -4.73 115.29 121.22 3hai s HIS 122 Ca 0.07 -1.75 -0.15 0.00 -0.15 0.00 0.00 55.06 53.08 3hai s HIS 122 Cb -0.14 -1.68 0.02 0.00 1.11 0.00 0.00 32.58 31.88 3hai s HIS 122 CO -0.14 -0.79 0.85 1.63 -0.85 0.00 0.00 174.74 175.45 3hai n LYS 123 N 4.72 0.30 -4.24 1.40 5.02 -1.26 -0.76 118.16 123.34 3hai n LYS 123 Ca -0.07 0.16 -0.18 0.00 -2.02 0.00 0.00 58.31 56.19 3hai n LYS 123 Cb 0.44 -2.14 -0.13 0.00 -0.02 0.00 0.00 35.03 33.19 3hai n LYS 123 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3hai s GLN 124 N -3.40 0.81 0.50 1.97 -2.07 -0.36 -4.69 119.66 112.42 3hai s GLN 124 Ca 0.70 -0.80 0.28 0.00 -1.82 0.00 0.00 55.36 53.72 3hai s GLN 124 Cb -0.32 -0.78 1.38 0.00 -1.09 0.00 0.00 33.01 32.19 3hai s GLN 124 CO 0.54 0.18 1.85 0.82 -1.32 0.00 0.00 175.29 177.37 3hai h ILE 125 N 4.45 0.55 0.00 3.63 2.04 -1.95 0.43 117.51 126.66 3hai h ILE 125 Ca -0.38 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 3hai h ILE 125 Cb 1.19 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3hai h ILE 125 CO 0.42 0.02 -0.26 -0.03 0.00 0.00 0.00 178.15 178.31 3hai h MET 126 N 0.12 0.00 0.00 2.37 4.05 -2.00 -3.48 114.93 116.00 3hai h MET 126 Ca 0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.90 3hai h MET 126 Cb 1.68 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.48 3hai h MET 126 CO -0.07 0.26 0.00 0.41 0.23 0.00 0.00 176.91 177.73 3hai n GLY 127 N -0.18 4.09 7.00 1.39 0.00 0.15 -5.11 105.19 112.53 3hai n GLY 127 Ca -0.01 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3hai n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hai n GLY 128 N -1.56 0.93 3.87 -0.02 0.00 -1.26 -4.48 105.19 102.67 3hai n GLY 128 Ca 0.00 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 3hai n GLY 128 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hai s PHE 129 N 0.00 3.29 0.27 1.61 0.08 -1.26 -1.23 117.98 120.75 3hai s PHE 129 Ca 0.00 0.01 0.05 0.00 0.12 0.00 0.00 56.93 57.11 3hai s PHE 129 Cb 0.00 -1.55 0.38 0.00 -0.57 0.00 0.00 43.02 41.28 3hai s PHE 129 CO 0.00 0.51 1.66 -0.22 -0.10 0.00 0.00 175.22 177.06 3hai h LYS 130 N 1.99 0.29 0.08 0.44 3.64 -1.22 -2.77 116.57 119.02 3hai h LYS 130 Ca -0.49 -0.15 -0.26 0.00 -1.27 0.00 0.00 60.65 58.48 3hai h LYS 130 Cb 1.21 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.04 3hai h LYS 130 CO 0.64 0.69 -1.12 1.05 -2.27 0.00 0.00 179.45 178.44 3hai h GLU 131 N 0.24 0.40 -0.14 1.90 9.09 -1.93 -2.09 114.58 122.05 3hai h GLU 131 Ca 0.02 -0.53 -0.15 0.00 0.05 0.00 0.00 59.36 58.75 3hai h GLU 131 Cb 0.88 0.18 0.01 0.00 -1.65 0.00 0.00 28.75 28.16 3hai h GLU 131 CO 0.07 1.20 -0.48 1.79 0.05 0.00 0.00 179.01 181.64 3hai h THR 132 N 0.18 1.35 -0.61 -1.06 1.35 -1.94 -2.99 112.91 109.19 3hai h THR 132 Ca -0.12 -1.77 -0.08 0.00 -0.55 0.00 0.00 66.41 63.89 3hai h THR 132 Cb 1.80 2.07 -0.02 0.00 -1.73 0.00 0.00 68.15 70.26 3hai h THR 132 CO 0.19 0.54 0.06 0.11 -0.25 0.00 0.00 175.52 176.17 3hai h LYS 133 N 0.21 1.03 -1.09 4.72 6.56 -1.54 0.21 116.57 126.67 3hai h LYS 133 Ca -0.02 -0.30 0.30 0.00 -1.06 0.00 0.00 60.65 59.57 3hai h LYS 133 Cb 1.11 -0.11 -0.07 0.00 -0.57 0.00 0.00 32.23 32.59 3hai h LYS 133 CO 0.10 0.99 0.74 1.49 -2.06 0.00 0.00 179.45 180.71 3hai h GLU 134 N 0.93 0.21 0.13 3.15 4.57 -1.36 0.23 114.58 122.45 3hai h GLU 134 Ca 0.18 -0.01 -0.35 0.00 -1.18 0.00 0.00 59.36 58.00 3hai h GLU 134 Cb 0.49 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 3hai h GLU 134 CO 0.02 0.14 -1.84 0.00 -1.18 0.00 0.00 179.01 176.14 3hai h ALA 135 N 1.54 0.37 -0.06 2.92 0.00 -1.07 -2.09 119.26 120.87 3hai h ALA 135 Ca 0.58 -1.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.11 3hai h ALA 135 Cb 1.83 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 20.17 3hai h ALA 135 CO -0.17 1.24 -0.34 1.49 0.00 0.00 0.00 179.25 181.46 3hai h GLU 136 N 0.08 0.11 -0.17 0.00 4.81 0.51 -0.05 114.58 119.87 3hai h GLU 136 Ca -0.37 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 58.66 3hai h GLU 136 Cb 2.05 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 31.43 3hai h GLU 136 CO 0.12 0.44 -0.54 -0.44 -0.73 0.00 0.00 179.01 177.87 3hai h ASP 137 N 0.09 0.76 -0.30 1.04 3.32 -0.69 -0.54 116.42 120.10 3hai h ASP 137 Ca 0.01 -0.60 0.06 0.00 0.02 0.00 0.00 57.03 56.53 3hai h ASP 137 Cb 0.66 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.92 3hai h ASP 137 CO 0.05 1.22 -0.12 1.23 -1.72 0.00 0.00 179.24 179.90 3hai h GLY 138 N 0.33 0.14 0.55 2.75 0.00 -0.63 -0.92 103.07 105.30 3hai h GLY 138 Ca -0.02 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 3hai h GLY 138 CO 0.11 -0.15 -0.00 0.74 0.00 0.00 0.00 176.54 177.24 3hai h PHE 139 N -0.07 0.02 -0.19 5.60 0.04 -0.94 -2.43 116.94 118.96 3hai h PHE 139 Ca 0.15 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.97 3hai h PHE 139 Cb 0.30 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 3hai h PHE 139 CO -0.33 0.46 0.14 0.00 -0.60 0.00 0.00 178.31 177.99 3hai h ARG 140 N -0.44 0.01 -0.15 1.51 3.08 -0.99 -0.29 114.38 117.11 3hai h ARG 140 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3hai h ARG 140 Cb 0.46 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 3hai h ARG 140 CO 0.00 0.01 -0.05 -0.22 -1.07 0.00 0.00 179.97 178.63 3hai h LYS 141 N 0.01 0.31 0.00 0.04 3.11 -1.10 0.25 116.57 119.19 3hai h LYS 141 Ca 0.09 -0.13 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 3hai h LYS 141 Cb 0.35 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 3hai h LYS 141 CO -0.00 0.61 0.00 0.00 -2.81 0.00 0.00 179.45 177.24 3hai h ALA 142 N 0.69 1.00 0.00 5.00 0.00 -0.61 -3.21 119.26 122.12 3hai h ALA 142 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hai h ALA 142 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hai h ALA 142 CO 0.02 0.00 -1.44 0.94 0.00 0.00 0.00 179.25 178.77 3hai n GLN 143 N -2.94 0.84 -0.35 0.00 7.27 -0.28 -4.57 117.38 117.35 3hai n GLN 143 Ca 0.01 -0.10 -0.03 0.00 0.07 0.00 0.00 57.00 56.94 3hai n GLN 143 Cb 0.28 -1.29 0.00 0.00 2.41 0.00 0.00 30.24 31.64 3hai n GLN 143 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3hai n LYS 144 N -1.85 -0.26 -0.03 3.69 3.00 0.86 0.67 118.16 124.25 3hai n LYS 144 Ca -0.02 1.36 -0.12 0.00 -0.00 0.00 0.00 58.31 59.54 3hai n LYS 144 Cb 0.33 -2.02 -0.06 0.00 0.00 0.00 0.00 35.03 33.28 3hai n LYS 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 3hai h PRO 145 N 0.00 0.17 -0.68 1.64 0.11 -1.80 -2.45 132.00 129.00 3hai h PRO 145 Ca 0.27 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 3hai h PRO 145 Cb 0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 3hai h PRO 145 CO -0.87 0.33 0.33 2.35 -0.21 0.00 0.00 178.00 179.93 3hai h TRP 146 N -0.01 0.97 -0.80 0.65 2.91 -1.60 -0.74 115.95 117.32 3hai h TRP 146 Ca 0.04 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 3hai h TRP 146 Cb 0.23 -0.30 -0.04 0.00 -0.51 0.00 0.00 29.16 28.54 3hai h TRP 146 CO 0.00 0.72 0.47 0.00 -1.03 0.00 0.00 178.44 178.60 3hai h ALA 147 N 1.16 1.33 -0.26 2.65 0.00 0.31 -0.31 119.26 124.14 3hai h ALA 147 Ca 0.23 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3hai h ALA 147 Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hai h ALA 147 CO -0.03 0.57 -0.14 -0.22 0.00 0.00 0.00 179.25 179.43 3hai h LYS 148 N 1.10 0.55 -0.56 0.00 1.63 -1.13 -3.09 116.57 115.07 3hai h LYS 148 Ca 0.29 -0.25 -0.11 0.00 -0.85 0.00 0.00 60.65 59.73 3hai h LYS 148 Cb -0.04 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 3hai h LYS 148 CO -0.05 0.81 -0.09 -0.22 -3.45 0.00 0.00 179.45 176.45 3hai h LYS 149 N 0.28 1.04 -0.33 1.90 1.63 -0.37 -2.66 116.57 118.05 3hai h LYS 149 Ca 0.06 -0.37 -0.04 0.00 -0.85 0.00 0.00 60.65 59.45 3hai h LYS 149 Cb 0.66 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 3hai h LYS 149 CO 0.04 1.06 0.03 0.52 -3.45 0.00 0.00 179.45 177.65 3hai h MET 150 N 0.93 0.49 -0.12 1.90 2.86 -1.15 -2.00 114.93 117.83 3hai h MET 150 Ca 0.15 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 3hai h MET 150 Cb 0.65 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 3hai h MET 150 CO 0.04 0.49 -0.36 0.87 1.06 0.00 0.00 176.91 179.02 3hai h LYS 151 N 0.47 0.24 -0.14 1.72 1.57 -1.39 -1.76 116.57 117.29 3hai h LYS 151 Ca 0.11 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.61 3hai h LYS 151 Cb 0.27 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.57 3hai h LYS 151 CO 0.00 0.57 -0.61 0.93 -0.57 0.00 0.00 179.45 179.77 3hai h GLU 152 N 0.21 0.66 0.01 3.15 5.08 -1.40 -3.05 114.58 119.23 3hai h GLU 152 Ca 0.02 -0.52 0.02 0.00 -1.00 0.00 0.00 59.36 57.88 3hai h GLU 152 Cb 0.73 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3hai h GLU 152 CO 0.06 1.14 -0.13 1.25 -1.00 0.00 0.00 179.01 180.33 3hai h LEU 153 N 0.33 -0.38 -0.00 1.33 5.85 -1.11 -1.32 115.31 120.00 3hai h LEU 153 Ca -0.04 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3hai h LEU 153 Cb 1.25 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.44 3hai h LEU 153 CO 0.13 -0.19 0.00 1.21 -0.34 0.00 0.00 178.44 179.25 3hai n GLU 154 N -5.26 0.00 -0.05 1.25 4.07 -0.68 -1.91 120.64 118.05 3hai n GLU 154 Ca -0.05 0.34 -0.06 0.00 -0.06 0.00 0.00 57.16 57.33 3hai n GLU 154 Cb 0.18 -1.50 -0.15 0.00 -0.06 0.00 0.00 31.44 29.92 3hai n GLU 154 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hai n ALA 155 N -1.50 1.70 0.08 4.31 0.00 -0.67 -3.66 120.51 120.77 3hai n ALA 155 Ca 0.02 -1.01 -0.13 0.00 0.00 0.00 0.00 53.44 52.32 3hai n ALA 155 Cb 0.11 -0.50 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 3hai n ALA 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hai h ALA 156 N 1.17 -0.23 -0.15 0.00 0.00 -0.57 -2.92 119.26 116.56 3hai h ALA 156 Ca -0.38 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.35 3hai h ALA 156 Cb 1.97 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.82 3hai h ALA 156 CO 0.04 -0.43 -0.18 0.87 0.00 0.00 0.00 179.25 179.56 3hai h LYS 157 N -0.63 -0.11 -1.39 0.00 1.57 -1.71 0.37 116.57 114.67 3hai h LYS 157 Ca -0.02 0.01 0.47 0.00 -1.87 0.00 0.00 60.65 59.24 3hai h LYS 157 Cb 0.46 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.66 3hai h LYS 157 CO 0.04 -0.07 0.90 1.63 -0.57 0.00 0.00 179.45 181.37 3hai n LYS 158 N -3.56 -0.03 0.01 3.15 5.02 -1.22 0.16 118.16 121.69 3hai n LYS 158 Ca -0.01 1.23 -0.18 0.00 -2.02 0.00 0.00 58.31 57.33 3hai n LYS 158 Cb 0.10 -2.43 -0.13 0.00 -0.02 0.00 0.00 35.03 32.55 3hai n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hai h ALA 159 N 1.54 -0.01 0.09 7.82 0.00 -1.02 -2.46 119.26 125.21 3hai h ALA 159 Ca 0.87 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3hai h ALA 159 Cb 2.84 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.68 3hai h ALA 159 CO -0.44 0.28 -0.04 -0.92 0.00 0.00 0.00 179.25 178.13 3hai h TYR 160 N -0.39 -0.11 0.00 0.00 3.20 0.57 0.25 116.97 120.50 3hai h TYR 160 Ca -0.09 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 3hai h TYR 160 Cb 1.37 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.67 3hai h TYR 160 CO 0.19 0.11 -0.02 0.45 -1.64 0.00 0.00 178.16 177.25 3hai h HIS 161 N -0.31 0.00 0.14 -3.82 3.86 -0.08 0.65 115.15 115.59 3hai h HIS 161 Ca -0.01 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.91 3hai h HIS 161 Cb 0.27 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.76 3hai h HIS 161 CO -0.01 0.02 -1.25 1.25 0.86 0.00 0.00 177.93 178.80 3hai h LEU 162 N 0.00 0.66 -0.11 2.43 6.46 -0.90 -2.56 115.31 121.29 3hai h LEU 162 Ca -0.00 -0.65 0.02 0.00 -0.12 0.00 0.00 57.88 57.13 3hai h LEU 162 Cb 0.06 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.76 3hai h LEU 162 CO 0.00 1.49 -0.02 0.00 -0.62 0.00 0.00 178.44 179.29 3hai h ALA 163 N 0.43 0.08 -0.66 1.25 0.00 0.49 0.63 119.26 121.48 3hai h ALA 163 Ca -0.17 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hai h ALA 163 Cb 1.94 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 3hai h ALA 163 CO 0.22 -0.48 0.32 0.00 0.00 0.00 0.00 179.25 179.32 3hai h LYS 165 N 0.93 -0.11 0.00 0.00 3.64 -1.21 -2.28 116.57 117.55 3hai h LYS 165 Ca 0.23 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3hai h LYS 165 Cb 0.09 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3hai h LYS 165 CO -0.03 0.30 -0.15 1.49 -2.27 0.00 0.00 179.45 178.79 3hai h GLU 166 N -0.55 0.00 0.15 1.90 4.57 -0.65 -1.20 114.58 118.80 3hai h GLU 166 Ca -0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3hai h GLU 166 Cb 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3hai h GLU 166 CO 0.02 0.15 -0.07 1.49 -1.18 0.00 0.00 179.01 179.41 3hai h GLU 167 N 0.00 -0.20 -0.65 1.92 4.81 -1.13 -1.15 114.58 118.18 3hai h GLU 167 Ca -0.00 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.35 3hai h GLU 167 Cb 0.31 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.65 3hai h GLU 167 CO 0.02 0.14 0.22 0.87 -0.73 0.00 0.00 179.01 179.53 3hai h LYS 168 N -0.56 0.37 -0.60 1.92 1.79 -0.87 0.14 116.57 118.77 3hai h LYS 168 Ca -0.02 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.35 3hai h LYS 168 Cb 0.43 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 3hai h LYS 168 CO 0.03 0.24 0.08 1.25 -1.08 0.00 0.00 179.45 179.98 3hai h LEU 169 N 0.38 0.93 0.52 2.94 7.12 -1.26 -2.47 115.31 123.47 3hai h LEU 169 Ca 0.34 -0.21 -0.03 0.00 0.13 0.00 0.00 57.88 58.11 3hai h LEU 169 Cb 0.47 -0.25 0.01 0.00 -0.53 0.00 0.00 40.66 40.35 3hai h LEU 169 CO -0.36 0.94 -0.25 0.00 -0.13 0.00 0.00 178.44 178.65 3hai h ALA 170 N 1.17 -0.70 0.04 1.25 0.00 0.14 -2.15 119.26 119.02 3hai h ALA 170 Ca 0.18 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hai h ALA 170 Cb 0.42 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3hai h ALA 170 CO 0.01 -0.82 -0.22 0.52 0.00 0.00 0.00 179.25 178.74 3hai h MET 171 N -0.85 -0.30 -1.03 0.00 2.86 -0.76 -1.12 114.93 113.73 3hai h MET 171 Ca -0.07 0.02 0.26 0.00 -2.06 0.00 0.00 59.70 57.85 3hai h MET 171 Cb 0.59 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.21 3hai h MET 171 CO 0.12 -0.20 0.64 1.79 1.06 0.00 0.00 176.91 180.31 3hai h THR 172 N -0.31 0.51 -0.47 2.22 1.35 -1.49 0.32 112.91 115.04 3hai h THR 172 Ca -0.00 -0.16 -0.06 0.00 -0.55 0.00 0.00 66.41 65.64 3hai h THR 172 Cb 0.32 -0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.71 3hai h THR 172 CO -0.13 0.09 0.05 0.03 -0.25 0.00 0.00 175.52 175.31 3hai h ARG 173 N 0.47 0.79 0.24 4.72 3.08 -0.94 0.89 114.38 123.63 3hai h ARG 173 Ca 0.63 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 3hai h ARG 173 Cb 1.41 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3hai h ARG 173 CO -0.40 0.81 -0.12 1.49 -1.07 0.00 0.00 179.97 180.68 3hai h GLU 174 N 0.65 -0.31 -0.47 0.04 4.81 0.82 -2.87 114.58 117.24 3hai h GLU 174 Ca 0.14 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3hai h GLU 174 Cb 0.42 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3hai h GLU 174 CO 0.01 -0.10 0.19 1.98 -0.73 0.00 0.00 179.01 180.36 3hai h MET 175 N -0.48 0.66 0.00 1.92 4.05 -1.06 -0.30 114.93 119.73 3hai h MET 175 Ca -0.03 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 3hai h MET 175 Cb 0.36 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 3hai h MET 175 CO 0.05 0.55 0.17 -0.91 0.23 0.00 0.00 176.91 177.00 3hai h ASN 176 N 0.66 0.00 0.02 1.39 4.21 -0.59 -2.19 115.58 119.08 3hai h ASN 176 Ca 0.16 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.59 3hai h ASN 176 Cb 0.13 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 3hai h ASN 176 CO -0.02 0.00 -0.42 0.28 -1.29 0.00 0.00 177.43 175.99 3hai h SER 177 N 0.00 0.05 -1.18 5.81 0.02 -0.98 -3.29 113.55 113.98 3hai h SER 177 Ca 0.00 -0.88 0.44 0.00 -0.84 0.00 0.00 61.79 60.51 3hai h SER 177 Cb 0.35 -0.02 -0.15 0.00 0.14 0.00 0.00 62.40 62.72 3hai h SER 177 CO 0.00 1.17 0.71 0.29 -1.14 0.00 0.00 176.83 177.87 3hai n LYS 178 N -4.50 -0.04 0.08 3.45 4.01 -0.82 0.12 118.16 120.45 3hai n LYS 178 Ca -0.16 1.26 -0.19 0.00 -0.51 0.00 0.00 58.31 58.71 3hai n LYS 178 Cb 0.57 -2.39 -0.11 0.00 -0.51 0.00 0.00 35.03 32.60 3hai n LYS 178 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3hai h THR 179 N 0.00 1.33 -2.77 -0.18 1.03 -1.68 -3.42 112.91 107.22 3hai h THR 179 Ca 0.84 -2.47 -0.66 0.00 -0.01 0.00 0.00 66.41 64.11 3hai h THR 179 Cb 2.50 2.59 -0.16 0.00 -1.07 0.00 0.00 68.15 72.01 3hai h THR 179 CO -0.57 0.75 0.37 -1.61 -0.01 0.00 0.00 175.52 174.45 3hai s GLU 180 N -3.08 3.09 0.21 0.00 2.02 0.32 -5.02 118.70 116.23 3hai s GLU 180 Ca -0.08 -1.00 -0.25 0.00 0.02 0.00 0.00 54.97 53.66 3hai s GLU 180 Cb 0.07 -4.24 -0.08 0.00 0.10 0.00 0.00 34.13 29.98 3hai s GLU 180 CO 0.91 -1.70 0.81 -1.14 0.02 0.00 0.00 175.26 174.16 3hai s GLN 181 N 3.52 4.53 -0.12 1.61 0.74 -1.26 -3.93 119.66 124.76 3hai s GLN 181 Ca 0.18 1.15 0.02 0.00 0.05 0.00 0.00 55.36 56.77 3hai s GLN 181 Cb -0.20 -3.11 0.01 0.00 1.10 0.00 0.00 33.01 30.81 3hai s GLN 181 CO 0.09 0.49 -0.19 -1.54 -0.55 0.00 0.00 175.29 173.58 3hai s SER 182 N -1.33 2.77 -0.07 6.67 1.04 -1.26 -5.19 113.70 116.32 3hai s SER 182 Ca 0.40 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 56.30 3hai s SER 182 Cb -0.21 -1.27 -0.04 0.00 0.10 0.00 0.00 66.02 64.61 3hai s SER 182 CO 0.25 0.07 0.03 -0.69 0.98 0.00 0.00 173.24 173.88 3hai s VAL 183 N 0.79 4.53 0.98 5.02 1.01 -1.25 -5.10 120.40 126.37 3hai s VAL 183 Ca -0.09 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 3hai s VAL 183 Cb -0.16 -2.95 0.18 0.00 0.00 0.00 0.00 36.38 33.45 3hai s VAL 183 CO 0.00 0.55 1.06 0.35 0.00 0.00 0.00 175.10 177.06 3hai n THR 184 N 1.91 0.00 0.19 3.92 -2.24 -1.26 -4.81 114.28 111.99 3hai n THR 184 Ca -0.18 -0.12 0.05 0.00 -2.27 0.00 0.00 64.05 61.54 3hai n THR 184 Cb 0.54 -0.97 0.34 0.00 -2.10 0.00 0.00 70.33 68.14 3hai n THR 184 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3hai h PRO 185 N -2.07 0.00 0.04 -0.78 0.13 -1.99 -2.05 132.00 125.27 3hai h PRO 185 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 3hai h PRO 185 Cb 1.29 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 3hai h PRO 185 CO 0.42 0.37 -1.72 0.93 -0.23 0.00 0.00 178.00 177.78 3hai h GLU 186 N 0.00 0.08 -0.55 0.86 5.08 -2.00 -3.12 114.58 114.92 3hai h GLU 186 Ca -0.00 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3hai h GLU 186 Cb 0.87 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 3hai h GLU 186 CO 0.05 0.73 0.28 0.37 -1.00 0.00 0.00 179.01 179.43 3hai h GLN 187 N 0.02 0.77 0.04 2.33 4.15 -1.90 -2.76 115.11 117.75 3hai h GLN 187 Ca -0.30 -0.09 -0.22 0.00 0.77 0.00 0.00 58.65 58.81 3hai h GLN 187 Cb 2.01 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 29.53 3hai h GLN 187 CO 0.09 0.59 -1.02 1.96 -1.93 0.00 0.00 178.83 178.52 3hai h GLN 188 N 0.78 0.13 -0.58 1.69 4.20 -1.49 -3.26 115.11 116.57 3hai h GLN 188 Ca 0.20 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3hai h GLN 188 Cb 0.06 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 3hai h GLN 188 CO -0.03 1.03 0.29 0.87 -0.67 0.00 0.00 178.83 180.33 3hai h LYS 189 N 0.05 0.82 -0.84 1.46 1.79 -1.43 -2.68 116.57 115.74 3hai h LYS 189 Ca -0.05 -0.11 0.21 0.00 -2.18 0.00 0.00 60.65 58.52 3hai h LYS 189 Cb 1.73 -0.15 -0.14 0.00 -1.58 0.00 0.00 32.23 32.09 3hai h LYS 189 CO 0.15 0.65 0.19 -0.22 -1.08 0.00 0.00 179.45 179.14 3hai h LYS 190 N 0.78 0.20 -0.17 3.15 1.63 -1.54 0.89 116.57 121.51 3hai h LYS 190 Ca 0.20 -0.01 -0.21 0.00 -0.85 0.00 0.00 60.65 59.78 3hai h LYS 190 Cb 0.09 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 3hai h LYS 190 CO -0.03 0.13 -0.71 -0.07 -3.45 0.00 0.00 179.45 175.32 3hai h LEU 191 N 0.20 0.86 -2.27 5.20 4.07 -1.65 -2.36 115.31 119.36 3hai h LEU 191 Ca 0.51 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3hai h LEU 191 Cb 0.98 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.47 3hai h LEU 191 CO -0.64 1.32 0.00 1.56 -1.08 0.00 0.00 178.44 179.61 3hai h GLN 192 N 0.52 0.00 0.00 1.13 4.20 -0.59 -2.86 115.11 117.51 3hai h GLN 192 Ca -0.03 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3hai h GLN 192 Cb 1.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 3hai h GLN 192 CO 0.14 0.00 -0.40 -0.44 -0.67 0.00 0.00 178.83 177.47 3hai h ASP 193 N 0.00 0.00 -0.62 1.46 3.32 -0.62 -2.99 116.42 116.97 3hai h ASP 193 Ca 0.00 -0.54 0.12 0.00 0.02 0.00 0.00 57.03 56.63 3hai h ASP 193 Cb 0.16 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.59 3hai h ASP 193 CO 0.00 1.00 -0.28 0.11 -1.72 0.00 0.00 179.24 178.34 3hai h LYS 194 N -1.00 -0.11 0.04 3.56 1.79 -1.34 0.13 116.57 119.64 3hai h LYS 194 Ca -0.09 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.41 3hai h LYS 194 Cb 0.81 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.44 3hai h LYS 194 CO -0.06 -0.07 -0.38 0.28 -1.08 0.00 0.00 179.45 178.14 3hai h VAL 195 N -0.11 0.21 -0.86 0.50 2.07 -1.65 0.17 116.25 116.59 3hai h VAL 195 Ca 0.26 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.99 3hai h VAL 195 Cb 0.54 0.21 -0.12 0.00 -1.52 0.00 0.00 31.29 30.39 3hai h VAL 195 CO -0.69 0.00 0.32 -0.78 0.02 0.00 0.00 177.57 176.44 3hai h ASP 196 N -0.56 0.21 -0.13 0.57 3.58 -1.17 -0.69 116.42 118.22 3hai h ASP 196 Ca 0.04 0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 3hai h ASP 196 Cb 0.63 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 3hai h ASP 196 CO -0.28 -0.03 0.05 0.50 -2.88 0.00 0.00 179.24 176.60 3hai h LYS 197 N 0.35 0.20 -0.13 0.28 3.64 0.93 -3.02 116.57 118.82 3hai h LYS 197 Ca 0.52 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.74 3hai h LYS 197 Cb 0.98 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 3hai h LYS 197 CO -0.54 0.32 -0.47 0.00 -2.27 0.00 0.00 179.45 176.49 3hai h LYS 199 N 0.26 0.00 0.01 0.00 1.57 -1.15 -1.04 116.57 116.22 3hai h LYS 199 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hai h LYS 199 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3hai h LYS 199 CO 0.08 0.00 -0.01 0.37 -0.57 0.00 0.00 179.45 179.32 3hai h GLN 200 N 0.00 -0.01 0.50 3.15 4.15 -1.15 -3.08 115.11 118.67 3hai h GLN 200 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3hai h GLN 200 Cb 0.29 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 3hai h GLN 200 CO 0.00 0.76 -0.38 -0.44 -1.93 0.00 0.00 178.83 176.85 3hai h ASP 201 N -0.84 -0.99 -0.85 -0.69 5.19 -1.13 -1.81 116.42 115.30 3hai h ASP 201 Ca -0.00 0.07 0.16 0.00 -0.62 0.00 0.00 57.03 56.64 3hai h ASP 201 Cb 0.79 0.31 -0.16 0.00 0.18 0.00 0.00 39.33 40.45 3hai h ASP 201 CO 0.00 -0.56 -0.26 0.58 -3.12 0.00 0.00 179.24 175.88 3hai h VAL 202 N -0.86 0.12 -0.62 -1.35 2.07 -1.34 0.83 116.25 115.10 3hai h VAL 202 Ca -0.05 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 3hai h VAL 202 Cb 0.73 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3hai h VAL 202 CO 0.01 0.00 0.12 -0.61 0.02 0.00 0.00 177.57 177.11 3hai h GLN 203 N -0.02 0.98 0.02 1.57 4.15 -1.41 0.13 115.11 120.54 3hai h GLN 203 Ca 0.38 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 3hai h GLN 203 Cb 0.61 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.17 3hai h GLN 203 CO -0.88 0.89 -0.01 0.87 -1.93 0.00 0.00 178.83 177.78 3hai h LYS 204 N 0.93 -0.03 -0.67 1.69 1.57 -0.21 -2.50 116.57 117.36 3hai h LYS 204 Ca 0.19 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 3hai h LYS 204 Cb 0.38 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 3hai h LYS 204 CO 0.01 0.70 0.44 1.15 -0.57 0.00 0.00 179.45 181.18 3hai h THR 205 N -0.92 1.05 0.00 -0.16 2.02 0.60 0.37 112.91 115.87 3hai h THR 205 Ca -0.00 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 3hai h THR 205 Cb 0.74 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3hai h THR 205 CO 0.00 0.13 -0.16 -0.61 0.37 0.00 0.00 175.52 175.26 3hai h GLN 206 N 0.73 0.00 0.06 6.66 4.15 -0.79 -2.13 115.11 123.78 3hai h GLN 206 Ca 0.28 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 3hai h GLN 206 Cb 0.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3hai h GLN 206 CO -0.08 0.16 -0.03 1.49 -1.93 0.00 0.00 178.83 178.44 3hai h GLU 207 N 0.00 -0.08 0.54 1.69 4.81 0.16 -2.75 114.58 118.96 3hai h GLU 207 Ca -0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3hai h GLU 207 Cb 0.69 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 3hai h GLU 207 CO 0.02 0.53 -0.43 -0.22 -0.73 0.00 0.00 179.01 178.17 3hai h LYS 208 N -0.83 -0.92 -1.14 1.92 3.64 -1.23 0.54 116.57 118.54 3hai h LYS 208 Ca -0.01 0.06 0.32 0.00 -1.27 0.00 0.00 60.65 59.75 3hai h LYS 208 Cb 0.64 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 32.58 3hai h LYS 208 CO 0.01 -0.61 0.76 -0.92 -2.27 0.00 0.00 179.45 176.42 3hai h TYR 209 N -0.96 0.45 -0.01 1.91 -0.00 -1.52 0.53 116.97 117.38 3hai h TYR 209 Ca -0.06 0.02 -0.12 0.00 -0.00 0.00 0.00 58.73 58.57 3hai h TYR 209 Cb 0.81 -0.13 0.01 0.00 -0.00 0.00 0.00 36.73 37.43 3hai h TYR 209 CO -0.18 -0.00 -0.45 0.93 -0.00 0.00 0.00 178.16 178.46 3hai h GLU 210 N 0.23 0.32 -0.43 1.82 5.08 -0.87 -1.98 114.58 118.75 3hai h GLU 210 Ca 0.63 -0.33 0.09 0.00 -1.00 0.00 0.00 59.36 58.75 3hai h GLU 210 Cb 1.92 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 31.17 3hai h GLU 210 CO -0.23 1.02 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.43 3hai h LYS 211 N -0.25 -0.05 -0.42 2.33 1.63 0.31 -0.13 116.57 119.99 3hai h LYS 211 Ca -0.05 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.79 3hai h LYS 211 Cb 1.17 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.77 3hai h LYS 211 CO 0.09 -0.03 0.20 0.28 -3.45 0.00 0.00 179.45 176.53 3hai h VAL 212 N -0.05 0.95 -0.97 2.00 2.07 -0.14 -1.72 116.25 118.39 3hai h VAL 212 Ca 0.21 -0.14 0.15 0.00 0.82 0.00 0.00 66.70 67.74 3hai h VAL 212 Cb 0.38 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 3hai h VAL 212 CO -0.48 0.07 0.61 -0.07 0.02 0.00 0.00 177.57 177.73 3hai h LEU 213 N 0.41 0.80 -0.47 2.57 3.38 -0.45 -0.07 115.31 121.48 3hai h LEU 213 Ca 0.18 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.27 3hai h LEU 213 Cb 0.11 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3hai h LEU 213 CO -0.14 0.38 0.16 -0.08 0.09 0.00 0.00 178.44 178.85 3hai h GLU 214 N 0.83 0.32 0.57 1.13 4.81 -0.13 -2.73 114.58 119.38 3hai h GLU 214 Ca 0.50 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.68 3hai h GLU 214 Cb 0.68 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.99 3hai h GLU 214 CO -0.27 0.21 -0.27 -0.44 -0.73 0.00 0.00 179.01 177.51 3hai h ASP 215 N 0.33 -0.65 -0.88 1.04 3.32 -0.84 -2.97 116.42 115.77 3hai h ASP 215 Ca 0.22 -0.04 0.22 0.00 0.02 0.00 0.00 57.03 57.45 3hai h ASP 215 Cb 0.23 0.17 -0.13 0.00 0.22 0.00 0.00 39.33 39.82 3hai h ASP 215 CO -0.23 -0.31 0.35 0.58 -1.72 0.00 0.00 179.24 177.91 3hai h VAL 216 N -1.01 0.44 0.00 -1.35 2.07 -1.30 0.55 116.25 115.64 3hai h VAL 216 Ca -0.08 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3hai h VAL 216 Cb 0.65 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3hai h VAL 216 CO 0.13 0.06 -0.06 1.23 0.02 0.00 0.00 177.57 178.95 3hai h GLY 217 N 0.35 0.00 0.68 2.17 0.00 -1.47 -3.03 103.07 101.76 3hai h GLY 217 Ca 0.55 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.52 3hai h GLY 217 CO -0.56 0.00 -1.94 0.50 0.00 0.00 0.00 176.54 174.55 3hai h LYS 218 N 0.00 0.30 -0.86 4.80 1.57 0.15 -3.33 116.57 119.20 3hai h LYS 218 Ca -0.00 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3hai h LYS 218 Cb 0.58 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3hai h LYS 218 CO 0.01 1.24 0.00 0.25 -0.57 0.00 0.00 179.45 180.38 3hai n THR 219 N -3.51 0.59 -0.04 -0.16 -2.24 0.11 -4.24 114.28 104.79 3hai n THR 219 Ca -0.30 -0.30 -0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3hai n THR 219 Cb 1.05 -0.42 -0.00 0.00 -2.10 0.00 0.00 70.33 68.86 3hai n THR 219 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hai h THR 220 N 0.89 0.00 -0.74 4.28 2.02 -1.65 -3.04 112.91 114.67 3hai h THR 220 Ca 0.00 -0.91 0.15 0.00 0.77 0.00 0.00 66.41 66.42 3hai h THR 220 Cb 0.79 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.06 3hai h THR 220 CO 0.10 0.00 -0.21 -0.65 0.37 0.00 0.00 175.52 175.13 3hai h PRO 221 N -0.93 -0.02 -0.56 6.66 0.11 -1.84 0.98 132.00 136.40 3hai h PRO 221 Ca -0.00 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.22 3hai h PRO 221 Cb 0.02 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.02 3hai h PRO 221 CO 0.00 -0.01 -0.27 0.37 -0.21 0.00 0.00 178.00 177.88 3hai h GLN 222 N -0.02 -0.12 -0.24 1.05 5.75 -1.84 0.64 115.11 120.33 3hai h GLN 222 Ca 0.35 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.87 3hai h GLN 222 Cb 0.55 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 3hai h GLN 222 CO -0.77 -0.08 0.13 -0.92 -2.65 0.00 0.00 178.83 174.54 3hai h TYR 223 N -0.13 0.25 -0.93 3.99 3.20 0.06 0.15 116.97 123.56 3hai h TYR 223 Ca 0.24 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.18 3hai h TYR 223 Cb 0.52 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 3hai h TYR 223 CO -0.57 0.15 0.61 0.52 -1.64 0.00 0.00 178.16 177.22 3hai h MET 224 N 0.28 1.06 0.19 1.82 2.86 0.27 -0.89 114.93 120.52 3hai h MET 224 Ca 0.09 -0.06 -0.31 0.00 -2.06 0.00 0.00 59.70 57.36 3hai h MET 224 Cb 0.00 -0.24 0.02 0.00 0.06 0.00 0.00 31.60 31.44 3hai h MET 224 CO -0.05 0.70 -1.45 0.93 1.06 0.00 0.00 176.91 178.11 3hai h GLU 225 N 1.09 0.40 -0.85 1.72 3.07 0.52 -2.24 114.58 118.29 3hai h GLU 225 Ca 0.40 -0.69 0.07 0.00 -0.50 0.00 0.00 59.36 58.64 3hai h GLU 225 Cb 0.15 0.26 -0.06 0.00 -0.84 0.00 0.00 28.75 28.26 3hai h GLU 225 CO -0.15 1.33 0.52 -0.91 -1.40 0.00 0.00 179.01 178.40 3hai h ASN 226 N -0.04 0.80 -0.41 1.42 -0.26 -0.61 -1.94 115.58 114.54 3hai h ASN 226 Ca -0.28 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.43 3hai h ASN 226 Cb 1.99 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 39.09 3hai h ASN 226 CO 0.18 0.50 0.02 -0.03 -1.06 0.00 0.00 177.43 177.04 3hai h MET 227 N 0.93 0.71 0.00 0.81 4.05 -1.19 -3.00 114.93 117.24 3hai h MET 227 Ca 0.38 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 3hai h MET 227 Cb 0.22 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 3hai h MET 227 CO -0.19 0.78 0.00 0.39 0.23 0.00 0.00 176.91 178.12 3hai n GLU 228 N -4.45 0.14 -0.07 0.39 -0.58 -0.77 -2.35 120.64 112.94 3hai n GLU 228 Ca -0.01 0.49 -0.10 0.00 -0.42 0.00 0.00 57.16 57.12 3hai n GLU 228 Cb 0.28 -1.84 -0.07 0.00 -0.57 0.00 0.00 31.44 29.24 3hai n GLU 228 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3hai h GLN 229 N 0.00 0.00 -0.95 3.49 4.20 -1.31 -2.94 115.11 117.61 3hai h GLN 229 Ca 0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 3hai h GLN 229 Cb 0.19 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.88 3hai h GLN 229 CO 0.00 0.51 0.60 0.28 -0.67 0.00 0.00 178.83 179.55 3hai h VAL 230 N -1.00 0.79 -0.04 -0.54 2.07 -1.53 -0.59 116.25 115.41 3hai h VAL 230 Ca -0.09 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3hai h VAL 230 Cb 0.71 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3hai h VAL 230 CO -0.05 0.13 -0.02 0.15 0.02 0.00 0.00 177.57 177.80 3hai h PHE 231 N 0.72 0.10 -0.83 1.57 3.04 -1.61 -2.51 116.94 117.42 3hai h PHE 231 Ca 0.50 -0.02 0.20 0.00 3.98 0.00 0.00 57.97 62.63 3hai h PHE 231 Cb 0.81 -0.02 -0.13 0.00 2.56 0.00 0.00 35.95 39.17 3hai h PHE 231 CO -0.00 0.47 0.25 1.49 -2.02 0.00 0.00 178.31 178.49 3hai h GLU 232 N -0.29 0.27 -0.32 1.11 4.57 -1.04 1.08 114.58 119.96 3hai h GLU 232 Ca 0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3hai h GLU 232 Cb 0.44 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3hai h GLU 232 CO 0.01 0.18 0.21 1.96 -1.18 0.00 0.00 179.01 180.18 3hai h GLN 233 N 0.28 0.41 -0.04 1.92 4.20 -0.94 -0.74 115.11 120.19 3hai h GLN 233 Ca 0.50 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 59.13 3hai h GLN 233 Cb 0.94 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.63 3hai h GLN 233 CO -0.57 0.27 -0.20 0.00 -0.67 0.00 0.00 178.83 177.66 3hai h GLN 235 N -0.35 0.70 -0.60 0.00 1.08 -0.37 0.38 115.11 115.97 3hai h GLN 235 Ca -0.01 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3hai h GLN 235 Cb 0.85 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.09 3hai h GLN 235 CO 0.04 0.47 0.40 1.96 -0.95 0.00 0.00 178.83 180.74 3hai h GLN 236 N 0.73 0.79 0.23 1.46 1.08 -0.92 0.74 115.11 119.22 3hai h GLN 236 Ca 0.54 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.67 3hai h GLN 236 Cb 0.79 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 3hai h GLN 236 CO -0.37 0.53 -0.11 0.35 -0.95 0.00 0.00 178.83 178.28 3hai h PHE 237 N 0.81 -0.29 -0.52 2.96 -0.00 -0.54 -1.85 116.94 117.52 3hai h PHE 237 Ca 0.22 -0.01 0.05 0.00 -0.00 0.00 0.00 57.97 58.24 3hai h PHE 237 Cb -0.09 0.09 -0.08 0.00 -0.00 0.00 0.00 35.95 35.88 3hai h PHE 237 CO -0.03 0.09 -0.46 1.49 -0.00 0.00 0.00 178.31 179.39 3hai h GLU 238 N -0.90 -0.19 -1.04 1.11 4.57 -0.85 0.16 114.58 117.46 3hai h GLU 238 Ca -0.03 0.01 0.29 0.00 -1.18 0.00 0.00 59.36 58.45 3hai h GLU 238 Cb 0.50 0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 29.01 3hai h GLU 238 CO 0.05 -0.12 0.63 1.49 -1.18 0.00 0.00 179.01 179.87 3hai h GLU 239 N -0.19 0.40 -0.14 1.92 4.81 0.51 1.07 114.58 122.97 3hai h GLU 239 Ca 0.09 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3hai h GLU 239 Cb 0.42 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 3hai h GLU 239 CO -0.60 0.27 -0.09 -0.22 -0.73 0.00 0.00 179.01 177.64 3hai h LYS 240 N 0.42 -0.08 0.35 1.92 3.64 0.18 -0.37 116.57 122.62 3hai h LYS 240 Ca 0.68 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 60.06 3hai h LYS 240 Cb 1.55 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.37 3hai h LYS 240 CO -0.47 -0.06 -0.31 -0.09 -2.27 0.00 0.00 179.45 176.25 3hai h ARG 241 N -0.09 -0.65 -0.41 1.90 2.43 0.19 -2.03 114.38 115.73 3hai h ARG 241 Ca 0.08 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.38 3hai h ARG 241 Cb 0.21 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 3hai h ARG 241 CO -0.20 -0.43 -0.01 -0.07 -1.51 0.00 0.00 179.97 177.75 3hai h LEU 242 N -0.67 -0.20 -0.34 3.80 3.38 -1.25 0.20 115.31 120.23 3hai h LEU 242 Ca -0.02 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3hai h LEU 242 Cb 0.60 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 3hai h LEU 242 CO -0.03 -0.06 -0.21 0.58 0.09 0.00 0.00 178.44 178.81 3hai h VAL 243 N 0.09 0.42 -0.52 1.22 2.07 -0.74 0.40 116.25 119.19 3hai h VAL 243 Ca 0.20 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.81 3hai h VAL 243 Cb 0.29 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 3hai h VAL 243 CO -0.35 0.00 0.13 0.15 0.02 0.00 0.00 177.57 177.52 3hai h PHE 244 N -0.16 0.22 0.49 1.57 3.04 -0.58 -2.54 116.94 118.98 3hai h PHE 244 Ca 0.17 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.14 3hai h PHE 244 Cb 0.43 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 3hai h PHE 244 CO -0.41 0.02 -0.37 1.25 -2.02 0.00 0.00 178.31 176.78 3hai h LEU 245 N 0.28 -0.97 -0.79 0.59 6.46 0.28 0.61 115.31 121.76 3hai h LEU 245 Ca 0.26 0.07 0.19 0.00 -0.12 0.00 0.00 57.88 58.28 3hai h LEU 245 Cb 0.34 0.30 -0.13 0.00 -0.73 0.00 0.00 40.66 40.44 3hai h LEU 245 CO -0.32 -0.55 0.11 0.50 -0.62 0.00 0.00 178.44 177.57 3hai h LYS 246 N -0.85 0.17 -0.45 1.25 3.64 -0.68 0.81 116.57 120.46 3hai h LYS 246 Ca -0.05 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 3hai h LYS 246 Cb 0.72 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 3hai h LYS 246 CO 0.01 0.11 0.10 1.49 -2.27 0.00 0.00 179.45 178.89 3hai h GLU 247 N 0.17 0.72 -0.30 1.90 4.81 -0.90 -2.51 114.58 118.48 3hai h GLU 247 Ca 0.46 -0.18 0.06 0.00 -0.13 0.00 0.00 59.36 59.57 3hai h GLU 247 Cb 0.84 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.08 3hai h GLU 247 CO -0.63 0.73 -0.07 0.28 -0.73 0.00 0.00 179.01 178.59 3hai h VAL 248 N 0.60 0.70 0.05 0.32 2.07 0.14 0.11 116.25 120.24 3hai h VAL 248 Ca 0.14 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 3hai h VAL 248 Cb 0.34 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3hai h VAL 248 CO 0.00 0.00 -0.17 -0.07 0.02 0.00 0.00 177.57 177.36 3hai h LEU 249 N 0.00 -0.48 -2.12 2.57 3.38 -1.12 0.31 115.31 117.85 3hai h LEU 249 Ca 0.14 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.26 3hai h LEU 249 Cb 0.22 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3hai h LEU 249 CO -0.31 -0.24 0.30 0.25 0.09 0.00 0.00 178.44 178.54 3hai h LEU 250 N -0.31 0.00 0.01 1.67 7.12 -0.95 0.31 115.31 123.16 3hai h LEU 250 Ca 0.04 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.05 3hai h LEU 250 Cb 0.35 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 3hai h LEU 250 CO -0.12 0.00 -0.00 0.44 -0.13 0.00 0.00 178.44 178.62 3hai h ASP 251 N 0.00 -0.01 -0.49 1.25 3.32 0.82 -2.87 116.42 118.44 3hai h ASP 251 Ca 0.13 -0.83 0.09 0.00 0.02 0.00 0.00 57.03 56.44 3hai h ASP 251 Cb 0.73 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.18 3hai h ASP 251 CO -0.00 0.84 -0.36 0.40 -1.72 0.00 0.00 179.24 178.40 3hai h ILE 252 N -0.86 0.17 -0.93 0.35 2.04 0.10 0.14 117.51 118.52 3hai h ILE 252 Ca -0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3hai h ILE 252 Cb 0.83 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 3hai h ILE 252 CO 0.00 0.00 0.58 0.50 0.00 0.00 0.00 178.15 179.24 3hai h LYS 253 N -0.23 0.99 0.00 2.37 3.11 -1.14 -0.84 116.57 120.84 3hai h LYS 253 Ca 0.19 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 3hai h LYS 253 Cb 0.55 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.56 3hai h LYS 253 CO -0.61 0.66 0.00 -0.09 -2.81 0.00 0.00 179.45 176.60 3hai h ARG 254 N 1.02 0.00 0.00 1.90 2.43 -0.76 -1.88 114.38 117.10 3hai h ARG 254 Ca 0.42 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.32 3hai h ARG 254 Cb 0.26 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 3hai h ARG 254 CO -0.20 0.00 -2.21 0.72 -1.51 0.00 0.00 179.97 176.77 3hai n HIS 255 N -2.76 0.00 0.44 2.20 8.25 -0.57 -4.40 115.22 118.38 3hai n HIS 255 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.57 3hai n HIS 255 Cb 0.12 -0.83 0.33 0.00 1.12 0.00 0.00 29.99 30.73 3hai n HIS 255 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hai h LEU 256 N 0.00 0.00 -8.15 2.41 3.38 -0.39 -3.44 115.31 109.13 3hai h LEU 256 Ca -0.41 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.93 3hai h LEU 256 Cb 1.91 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.53 3hai h LEU 256 CO 0.02 0.00 0.92 0.21 0.09 0.00 0.00 178.44 179.69 3hai s ASN 257 N -5.22 6.39 0.12 -0.43 2.47 -0.98 -4.87 114.94 112.42 3hai s ASN 257 Ca 0.08 -1.36 -0.13 0.00 0.42 0.00 0.00 52.86 51.87 3hai s ASN 257 Cb 0.09 -2.47 -0.05 0.00 -1.45 0.00 0.00 41.25 37.38 3hai s ASN 257 CO 0.61 -1.39 1.48 -0.07 -3.72 0.00 0.00 177.10 174.01 3hai h LEU 258 N 11.60 0.84 -9.89 3.21 3.38 -1.93 -3.43 115.31 119.09 3hai h LEU 258 Ca -0.03 -0.43 -0.45 0.00 0.09 0.00 0.00 57.88 57.05 3hai h LEU 258 Cb 1.04 -0.23 0.23 0.00 0.09 0.00 0.00 40.66 41.78 3hai h LEU 258 CO 1.23 1.09 -0.56 0.00 0.09 0.00 0.00 178.44 180.29 3hai n ALA 259 N -2.49 -3.46 -1.34 1.53 0.00 -1.26 -2.02 120.51 111.46 3hai n ALA 259 Ca -0.02 -1.19 -0.12 0.00 0.00 0.00 0.00 53.44 52.10 3hai n ALA 259 Cb 0.45 -1.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 3hai n ALA 259 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hai n GLU 260 N -3.37 -1.65 -3.61 0.00 1.02 -1.26 -4.94 120.64 106.84 3hai n GLU 260 Ca 0.02 0.92 -0.40 0.00 -0.02 0.00 0.00 57.16 57.68 3hai n GLU 260 Cb 0.58 -5.30 -0.11 0.00 -0.02 0.00 0.00 31.44 26.58 3hai n GLU 260 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3hai s ASN 261 N -2.40 5.71 0.19 1.62 3.04 -0.86 -4.98 114.94 117.26 3hai s ASN 261 Ca 0.00 -0.70 -0.19 0.00 0.04 0.00 0.00 52.86 52.01 3hai s ASN 261 Cb 0.00 -2.04 0.15 0.00 -1.54 0.00 0.00 41.25 37.83 3hai s ASN 261 CO 0.00 -0.28 1.41 -1.54 -3.04 0.00 0.00 177.10 173.64 3hai n SER 262 N 5.01 -0.68 -0.01 -4.21 3.41 -1.26 0.12 113.62 116.01 3hai n SER 262 Ca -0.13 1.59 0.04 0.00 -0.26 0.00 0.00 58.87 60.12 3hai n SER 262 Cb 0.48 -0.33 0.42 0.00 -0.26 0.00 0.00 64.21 64.53 3hai n SER 262 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hai h SER 263 N 0.00 0.47 0.30 4.04 0.02 -1.95 -1.57 113.55 114.86 3hai h SER 263 Ca 0.28 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 61.02 3hai h SER 263 Cb 0.50 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 3hai h SER 263 CO -0.89 0.34 -0.76 0.22 -1.14 0.00 0.00 176.83 174.60 3hai h TYR 264 N 0.56 0.52 0.00 3.45 5.03 0.68 0.07 116.97 127.28 3hai h TYR 264 Ca 0.16 -0.24 -0.07 0.00 2.58 0.00 0.00 58.73 61.15 3hai h TYR 264 Cb -0.05 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 3hai h TYR 264 CO -0.00 1.01 -0.35 0.82 -1.32 0.00 0.00 178.16 178.31 3hai h ILE 265 N 0.25 0.66 -0.12 1.81 1.08 -1.28 -3.33 117.51 116.58 3hai h ILE 265 Ca -0.04 -1.73 -0.08 0.00 -0.39 0.00 0.00 64.86 62.62 3hai h ILE 265 Cb 1.35 2.17 0.00 0.00 -3.07 0.00 0.00 36.82 37.27 3hai h ILE 265 CO 0.13 0.35 -0.26 -0.74 -0.69 0.00 0.00 178.15 176.94 3hai h HIS 266 N 0.00 0.48 -0.98 1.37 2.76 -0.43 -3.08 115.15 115.27 3hai h HIS 266 Ca -0.00 -0.18 0.08 0.00 -2.20 0.00 0.00 60.37 58.07 3hai h HIS 266 Cb 1.15 -0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.95 3hai h HIS 266 CO 0.00 0.87 0.63 -0.24 -1.30 0.00 0.00 177.93 177.89 3hai h VAL 267 N -0.05 1.04 0.11 5.26 3.04 -1.12 0.12 116.25 124.65 3hai h VAL 267 Ca 0.00 -0.37 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 3hai h VAL 267 Cb 0.85 -0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.98 3hai h VAL 267 CO 0.06 0.20 -0.05 1.88 -1.01 0.00 0.00 177.57 178.64 3hai h TYR 268 N 1.09 -0.14 -0.64 3.17 0.05 -1.71 0.42 116.97 119.21 3hai h TYR 268 Ca 0.44 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 59.31 3hai h TYR 268 Cb 0.27 0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 3hai h TYR 268 CO -0.00 0.36 0.43 0.00 -1.05 0.00 0.00 178.16 177.90 3hai h ARG 269 N -0.82 0.49 0.00 4.88 3.08 -1.42 0.84 114.38 121.42 3hai h ARG 269 Ca -0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3hai h ARG 269 Cb 0.56 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 3hai h ARG 269 CO 0.03 0.32 -0.09 1.49 -1.07 0.00 0.00 179.97 180.64 3hai h GLU 270 N 0.50 0.00 0.11 0.04 4.81 -0.71 0.21 114.58 119.54 3hai h GLU 270 Ca 0.29 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 3hai h GLU 270 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3hai h GLU 270 CO -0.09 0.09 -0.05 1.25 -0.73 0.00 0.00 179.01 179.48 3hai h LEU 271 N 0.00 -0.12 0.00 1.64 7.12 0.29 -3.02 115.31 121.22 3hai h LEU 271 Ca -0.00 -0.42 0.00 0.00 0.13 0.00 0.00 57.88 57.59 3hai h LEU 271 Cb 0.54 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 3hai h LEU 271 CO 0.01 0.40 0.00 1.21 -0.13 0.00 0.00 178.44 179.93 3hai n GLU 272 N -4.91 0.25 0.09 1.25 2.13 -0.21 -0.74 120.64 118.48 3hai n GLU 272 Ca -0.08 0.12 -0.07 0.00 0.66 0.00 0.00 57.16 57.79 3hai n GLU 272 Cb 0.27 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.45 3hai n GLU 272 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 3hai h GLN 273 N 0.00 0.07 0.05 5.31 5.75 -0.52 -3.32 115.11 122.44 3hai h GLN 273 Ca 0.00 -0.09 -0.34 0.00 -0.15 0.00 0.00 58.65 58.08 3hai h GLN 273 Cb 0.17 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.71 3hai h GLN 273 CO 0.00 0.92 -1.94 0.00 -2.65 0.00 0.00 178.83 175.16 3hai n ALA 274 N -2.41 1.24 -0.04 3.38 0.00 0.08 -3.93 120.51 118.82 3hai n ALA 274 Ca -0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 53.44 52.65 3hai n ALA 274 Cb 0.84 -0.67 -0.00 0.00 0.00 0.00 0.00 19.45 19.61 3hai n ALA 274 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hai h ILE 275 N 0.03 0.00 0.00 0.00 2.04 -1.63 -3.29 117.51 114.66 3hai h ILE 275 Ca -0.39 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 64.67 3hai h ILE 275 Cb 2.03 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3hai h ILE 275 CO 0.07 0.00 0.01 -1.14 0.00 0.00 0.00 178.15 177.09 3hai n ARG 276 N -4.21 0.00 0.00 2.37 0.63 -1.25 0.34 116.66 114.54 3hai n ARG 276 Ca -0.02 0.22 0.13 0.00 -0.92 0.00 0.00 57.85 57.26 3hai n ARG 276 Cb 0.06 -1.51 0.35 0.00 0.45 0.00 0.00 32.46 31.81 3hai n ARG 276 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hai n GLY 277 N -1.20 -1.33 3.78 5.14 0.00 -1.24 -4.90 105.19 105.44 3hai n GLY 277 Ca 0.00 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 3hai n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hai s ALA 278 N -3.00 2.70 -0.15 4.61 0.00 1.03 -5.05 121.76 121.90 3hai s ALA 278 Ca 0.12 0.70 -0.03 0.00 0.00 0.00 0.00 51.96 52.75 3hai s ALA 278 Cb 0.18 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 20.03 3hai s ALA 278 CO 0.65 -0.77 0.04 0.34 0.00 0.00 0.00 175.76 176.03 3hai s ASP 279 N -2.04 2.32 0.07 0.00 -1.08 -1.26 -5.05 116.67 109.64 3hai s ASP 279 Ca 0.70 -0.53 -0.34 0.00 -0.52 0.00 0.00 52.55 51.86 3hai s ASP 279 Cb -0.21 -0.44 -0.19 0.00 -1.46 0.00 0.00 42.92 40.62 3hai s ASP 279 CO 0.29 -0.29 1.61 0.00 0.52 0.00 0.00 175.17 177.30 3hai h ALA 280 N 8.32 -1.00 -1.25 3.66 0.00 -1.96 -2.36 119.26 124.67 3hai h ALA 280 Ca -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hai h ALA 280 Cb 1.13 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3hai h ALA 280 CO 0.29 -1.07 0.00 1.04 0.00 0.00 0.00 179.25 179.52 3hai n GLN 281 N -5.52 0.00 -0.31 0.00 1.13 -1.26 -0.07 117.38 111.34 3hai n GLN 281 Ca -0.14 0.52 0.12 0.00 -1.94 0.00 0.00 57.00 55.57 3hai n GLN 281 Cb 0.41 -0.89 0.26 0.00 0.11 0.00 0.00 30.24 30.13 3hai n GLN 281 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3hai h GLU 282 N 0.00 0.08 0.51 -1.09 4.22 -1.99 0.59 114.58 116.90 3hai h GLU 282 Ca 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 3hai h GLU 282 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3hai h GLU 282 CO 0.00 0.05 -0.43 -0.44 -2.18 0.00 0.00 179.01 176.01 3hai h ASP 283 N 0.08 -1.14 -0.43 1.04 5.19 -0.57 -0.29 116.42 120.31 3hai h ASP 283 Ca 0.55 0.09 0.09 0.00 -0.62 0.00 0.00 57.03 57.13 3hai h ASP 283 Cb 1.10 0.37 -0.09 0.00 0.18 0.00 0.00 39.33 40.89 3hai h ASP 283 CO -0.80 -0.61 -0.16 -0.07 -3.12 0.00 0.00 179.24 174.48 3hai h LEU 284 N -0.93 -0.57 -0.77 1.55 3.38 0.32 0.12 115.31 118.42 3hai h LEU 284 Ca -0.06 0.15 0.18 0.00 0.09 0.00 0.00 57.88 58.24 3hai h LEU 284 Cb 0.80 0.33 -0.13 0.00 0.09 0.00 0.00 40.66 41.75 3hai h LEU 284 CO -0.02 -0.20 0.03 -0.09 0.09 0.00 0.00 178.44 178.25 3hai h ARG 285 N -0.07 0.11 -0.72 1.13 2.43 0.33 0.14 114.38 117.72 3hai h ARG 285 Ca 0.21 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 3hai h ARG 285 Cb 0.39 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3hai h ARG 285 CO -0.48 0.07 0.21 2.35 -1.51 0.00 0.00 179.97 180.61 3hai h TRP 286 N 0.12 1.18 -0.80 2.20 7.01 0.97 -2.40 115.95 124.23 3hai h TRP 286 Ca 0.43 -0.13 0.00 0.00 2.11 0.00 0.00 58.89 61.30 3hai h TRP 286 Cb 0.76 -0.34 -0.04 0.00 -2.10 0.00 0.00 29.16 27.44 3hai h TRP 286 CO -0.41 0.94 0.50 0.35 -2.79 0.00 0.00 178.44 177.03 3hai h PHE 287 N 1.08 1.03 0.00 2.65 3.57 0.93 0.82 116.94 127.01 3hai h PHE 287 Ca 0.23 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3hai h PHE 287 Cb 0.33 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3hai h PHE 287 CO 0.03 0.67 0.00 -0.09 -2.23 0.00 0.00 178.31 176.69 3hai h ARG 288 N 1.09 0.00 0.05 1.11 2.43 -0.76 0.92 114.38 119.22 3hai h ARG 288 Ca 0.29 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.12 3hai h ARG 288 Cb -0.08 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 3hai h ARG 288 CO -0.06 0.00 -1.95 0.43 -1.51 0.00 0.00 179.97 176.88 3hai n SER 289 N -2.94 1.35 -0.00 -3.80 7.64 -0.38 -1.26 113.62 114.22 3hai n SER 289 Ca 0.01 0.25 -0.17 0.00 1.01 0.00 0.00 58.87 59.96 3hai n SER 289 Cb 0.27 -0.28 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 3hai n SER 289 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3hai h THR 290 N 0.03 1.64 0.00 0.44 2.02 -0.31 -3.33 112.91 113.39 3hai h THR 290 Ca -0.39 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.36 3hai h THR 290 Cb 2.04 3.27 0.00 0.00 -1.74 0.00 0.00 68.15 71.72 3hai h THR 290 CO 0.06 0.66 0.00 -1.20 0.37 0.00 0.00 175.52 175.42 3hai n SER 291 N -4.35 1.05 -2.03 4.18 7.64 0.25 -4.99 113.62 115.37 3hai n SER 291 Ca -0.12 -1.48 -0.00 0.00 1.01 0.00 0.00 58.87 58.28 3hai n SER 291 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 3hai n SER 291 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hai n GLY 292 N -0.24 1.91 0.00 0.23 0.00 -0.77 -4.96 105.19 101.36 3hai n GLY 292 Ca 0.00 -2.13 0.03 0.00 0.00 0.00 0.00 46.02 43.92 3hai n GLY 292 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hai n PRO 293 N -1.01 0.00 -0.25 1.61 -0.02 -1.18 -3.42 135.00 130.73 3hai n PRO 293 Ca 0.00 0.41 -0.05 0.00 -2.02 0.00 0.00 63.50 61.84 3hai n PRO 293 Cb 0.01 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.04 3hai n PRO 293 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3hai h GLY 294 N 0.94 1.00 -4.04 -1.23 0.00 -1.46 -3.44 103.07 94.84 3hai h GLY 294 Ca 0.00 -0.39 -0.55 0.00 0.00 0.00 0.00 47.33 46.40 3hai h GLY 294 CO 0.00 0.38 0.74 1.15 0.00 0.00 0.00 176.54 178.81 3hai n MET 295 N -4.58 2.59 -1.58 4.80 0.00 -1.22 -4.97 117.12 112.17 3hai n MET 295 Ca 0.06 0.91 -0.36 0.00 0.00 0.00 0.00 57.70 58.31 3hai n MET 295 Cb 0.03 -2.62 0.08 0.00 0.00 0.00 0.00 33.22 30.71 3hai n MET 295 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3hai n PRO 296 N 0.63 0.88 -4.41 3.17 -0.02 -1.26 -5.05 135.00 128.94 3hai n PRO 296 Ca 0.03 0.36 -0.24 0.00 -2.02 0.00 0.00 63.50 61.63 3hai n PRO 296 Cb 0.38 -2.47 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 3hai n PRO 296 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3hai s MET 297 N -3.47 1.17 -1.14 -0.52 1.75 -1.26 -5.08 119.30 110.76 3hai s MET 297 Ca 0.80 -1.02 -0.15 0.00 -1.25 0.00 0.00 55.69 54.07 3hai s MET 297 Cb -0.36 -1.34 0.17 0.00 2.84 0.00 0.00 34.83 36.14 3hai s MET 297 CO 0.43 0.32 1.35 -0.80 -0.65 0.00 0.00 175.02 175.67 3hai s ASN 298 N -1.54 6.98 0.13 1.11 0.01 -1.26 -5.00 114.94 115.37 3hai s ASN 298 Ca 0.06 -2.81 0.06 0.00 -0.71 0.00 0.00 52.86 49.46 3hai s ASN 298 Cb -0.09 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 3hai s ASN 298 CO 0.03 -0.79 -0.02 -1.66 -1.51 0.00 0.00 177.10 173.15 3hai s TRP 299 N 1.69 2.88 0.00 2.20 -2.14 -1.26 -5.38 118.94 116.93 3hai s TRP 299 Ca 0.40 -0.10 0.00 0.00 2.66 0.00 0.00 56.10 59.06 3hai s TRP 299 Cb -0.04 -1.45 0.00 0.00 -3.10 0.00 0.00 33.47 28.88 3hai s TRP 299 CO -0.02 0.49 0.00 -2.30 -2.66 0.00 0.00 176.95 172.45