#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhh h ALA 0 N 0.00 0.00 -2.64 0.00 0.00 -2.11 -3.47 119.26 111.04 3mhh h ALA 0 Ca 0.00 -0.33 -0.52 0.00 0.00 0.00 0.00 54.91 54.05 3mhh h ALA 0 Cb 0.00 0.32 0.03 0.00 0.00 0.00 0.00 17.79 18.14 3mhh h ALA 0 CO 0.00 0.32 0.66 -1.64 0.00 0.00 0.00 179.25 178.59 3mhh s MET 1 N -1.94 4.38 0.49 0.00 1.00 -1.26 -5.02 119.30 116.95 3mhh s MET 1 Ca -0.09 2.04 0.07 0.00 0.00 0.00 0.00 55.69 57.71 3mhh s MET 1 Cb 0.01 -3.21 0.01 0.00 0.00 0.00 0.00 34.83 31.65 3mhh s MET 1 CO 0.14 -0.29 0.40 0.45 0.00 0.00 0.00 175.02 175.72 3mhh s SER 2 N 0.51 4.77 0.02 3.03 0.15 -1.26 -5.13 113.70 115.80 3mhh s SER 2 Ca 0.58 -1.05 0.02 0.00 0.70 0.00 0.00 55.95 56.21 3mhh s SER 2 Cb -0.36 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 63.93 3mhh s SER 2 CO 0.36 -0.93 0.00 -0.63 1.20 0.00 0.00 173.24 173.25 3mhh s ILE 3 N -2.66 4.15 -0.29 6.45 1.09 -1.26 -5.04 121.20 123.66 3mhh s ILE 3 Ca 0.41 -0.67 -0.39 0.00 -1.10 0.00 0.00 60.65 58.91 3mhh s ILE 3 Cb -0.02 -2.88 -0.14 0.00 -1.06 0.00 0.00 42.46 38.36 3mhh s ILE 3 CO 0.25 0.32 1.88 0.00 -0.10 0.00 0.00 174.94 177.29 3mhh h PRO 5 N 8.70 0.00 -0.01 0.00 0.13 -1.99 -2.95 132.00 135.89 3mhh h PRO 5 Ca -0.41 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 3mhh h PRO 5 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3mhh h PRO 5 CO 0.98 0.00 -0.08 0.45 -0.23 0.00 0.00 178.00 179.12 3mhh h HIS 6 N 0.00 0.09 -0.55 1.56 3.86 -1.99 0.38 115.15 118.50 3mhh h HIS 6 Ca 0.00 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 3mhh h HIS 6 Cb 0.34 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3mhh h HIS 6 CO 0.00 0.78 0.09 0.97 0.86 0.00 0.00 177.93 180.63 3mhh h ILE 7 N -0.62 1.24 -0.37 2.45 6.09 -1.96 -1.64 117.51 122.70 3mhh h ILE 7 Ca -0.01 -0.91 0.00 0.00 -1.37 0.00 0.00 64.86 62.58 3mhh h ILE 7 Cb 0.79 0.72 -0.02 0.00 0.47 0.00 0.00 36.82 38.78 3mhh h ILE 7 CO 0.02 0.33 0.25 1.56 -3.07 0.00 0.00 178.15 177.24 3mhh h GLN 8 N 0.83 0.49 0.17 2.19 4.20 -1.47 0.16 115.11 121.68 3mhh h GLN 8 Ca 0.17 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.87 3mhh h GLN 8 Cb 0.36 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3mhh h GLN 8 CO 0.01 0.32 -0.26 0.37 -0.67 0.00 0.00 178.83 178.60 3mhh h GLN 9 N 0.50 -0.49 -0.02 1.46 4.15 -0.63 -2.47 115.11 117.62 3mhh h GLN 9 Ca 0.14 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 3mhh h GLN 9 Cb -0.06 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 3mhh h GLN 9 CO -0.03 -0.32 -0.08 -0.24 -1.93 0.00 0.00 178.83 176.22 3mhh h VAL 10 N -0.50 1.07 0.00 2.39 3.04 -1.03 -0.75 116.25 120.46 3mhh h VAL 10 Ca 0.02 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 3mhh h VAL 10 Cb 0.50 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 3mhh h VAL 10 CO -0.11 0.09 0.00 0.49 -1.01 0.00 0.00 177.57 177.03 3mhh n PHE 11 N -4.43 0.00 0.21 3.17 0.99 0.53 -2.70 117.46 115.23 3mhh n PHE 11 Ca -0.03 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.53 3mhh n PHE 11 Cb 0.17 0.00 0.25 0.00 -1.00 0.00 0.00 39.48 38.90 3mhh n PHE 11 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 3mhh h GLN 12 N 0.00 0.00 -5.07 -1.08 4.20 -0.90 -3.43 115.11 108.83 3mhh h GLN 12 Ca 0.00 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.08 3mhh h GLN 12 Cb 0.00 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.62 3mhh h GLN 12 CO 0.00 0.14 -0.54 1.21 -0.67 0.00 0.00 178.83 178.97 3mhh s ASN 13 N -6.18 5.87 0.05 1.46 2.47 -1.10 -5.02 114.94 112.49 3mhh s ASN 13 Ca 0.05 0.04 -0.26 0.00 0.42 0.00 0.00 52.86 53.10 3mhh s ASN 13 Cb 0.07 -2.05 -0.17 0.00 -1.45 0.00 0.00 41.25 37.64 3mhh s ASN 13 CO 0.66 0.05 1.54 -0.33 -3.72 0.00 0.00 177.10 175.31 3mhh h GLU 14 N 7.60 -0.31 -0.70 0.43 4.39 -1.86 -0.89 114.58 123.23 3mhh h GLU 14 Ca -0.37 0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.48 3mhh h GLU 14 Cb 1.17 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.85 3mhh h GLU 14 CO 0.64 -0.11 0.47 0.87 -1.16 0.00 0.00 179.01 179.71 3mhh h LYS 15 N -0.46 0.37 -0.19 2.33 1.57 -1.95 0.58 116.57 118.83 3mhh h LYS 15 Ca -0.03 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.55 3mhh h LYS 15 Cb 0.34 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3mhh h LYS 15 CO 0.05 0.25 -0.61 0.77 -0.57 0.00 0.00 179.45 179.35 3mhh h SER 16 N 0.38 0.72 -0.13 0.86 0.02 -1.74 -2.06 113.55 111.60 3mhh h SER 16 Ca 0.34 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3mhh h SER 16 Cb 0.78 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3mhh h SER 16 CO -0.10 1.15 0.03 0.50 -1.14 0.00 0.00 176.83 177.27 3mhh h LYS 17 N 0.47 0.21 -0.24 3.45 3.64 0.41 -1.78 116.57 122.73 3mhh h LYS 17 Ca -0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3mhh h LYS 17 Cb 1.18 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3mhh h LYS 17 CO 0.12 0.38 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.19 3mhh h ASP 18 N -0.00 0.34 0.02 4.20 3.45 -0.99 -2.31 116.42 121.12 3mhh h ASP 18 Ca 0.04 -0.06 -0.21 0.00 0.43 0.00 0.00 57.03 57.23 3mhh h ASP 18 Cb 0.27 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 3mhh h ASP 18 CO 0.00 0.43 -0.77 1.23 -1.57 0.00 0.00 179.24 178.57 3mhh h GLY 19 N 0.73 0.70 0.73 2.75 0.00 -1.18 -1.29 103.07 105.51 3mhh h GLY 19 Ca 0.08 -0.99 -0.01 0.00 0.00 0.00 0.00 47.33 46.41 3mhh h GLY 19 CO 0.01 0.88 0.00 -2.08 0.00 0.00 0.00 176.54 175.36 3mhh h VAL 20 N 0.43 1.24 -0.79 4.60 2.07 -1.18 -2.15 116.25 120.47 3mhh h VAL 20 Ca -0.05 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3mhh h VAL 20 Cb 1.37 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 3mhh h VAL 20 CO 0.15 0.20 0.42 -0.07 0.02 0.00 0.00 177.57 178.29 3mhh h LEU 21 N -0.19 1.00 -0.88 2.57 3.38 -1.40 -0.33 115.31 119.46 3mhh h LEU 21 Ca 0.02 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3mhh h LEU 21 Cb 0.32 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3mhh h LEU 21 CO 0.00 0.82 0.57 0.50 0.09 0.00 0.00 178.44 180.43 3mhh h LYS 22 N 1.10 1.10 -0.44 1.13 3.64 -1.22 -0.26 116.57 121.62 3mhh h LYS 22 Ca 0.28 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.45 3mhh h LYS 22 Cb 0.06 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3mhh h LYS 22 CO -0.04 0.73 -0.29 1.15 -2.27 0.00 0.00 179.45 178.73 3mhh h THR 23 N 1.13 1.27 -0.09 1.00 2.02 -0.72 -0.74 112.91 116.79 3mhh h THR 23 Ca 0.34 -1.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 3mhh h THR 23 Cb -0.05 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3mhh h THR 23 CO -0.10 0.50 0.04 0.00 0.37 0.00 0.00 175.52 176.33 3mhh h ASN 25 N 0.01 0.98 0.01 0.00 2.35 -0.97 -0.71 115.58 117.26 3mhh h ASN 25 Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3mhh h ASN 25 Cb 0.12 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3mhh h ASN 25 CO -0.00 0.64 -0.01 0.00 -1.65 0.00 0.00 177.43 176.41 3mhh h ALA 26 N 1.47 -0.02 -0.59 -0.83 0.00 -0.52 0.35 119.26 119.13 3mhh h ALA 26 Ca 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3mhh h ALA 26 Cb 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3mhh h ALA 26 CO -0.14 -0.38 0.37 0.00 0.00 0.00 0.00 179.25 179.09 3mhh h ALA 27 N 0.71 0.75 -0.55 0.00 0.00 -0.44 -0.87 119.26 118.87 3mhh h ALA 27 Ca -0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3mhh h ALA 27 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3mhh h ALA 27 CO 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 179.25 179.37 3mhh h ARG 28 N 0.80 1.05 -0.31 0.00 3.08 -0.85 -1.53 114.38 116.61 3mhh h ARG 28 Ca 0.21 -0.39 0.01 0.00 0.07 0.00 0.00 59.98 59.89 3mhh h ARG 28 Cb -0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3mhh h ARG 28 CO -0.04 1.08 0.18 -0.92 -1.07 0.00 0.00 179.97 179.20 3mhh h TYR 29 N 0.93 0.34 -0.95 3.04 3.20 0.09 -1.89 116.97 121.72 3mhh h TYR 29 Ca 0.14 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.03 3mhh h TYR 29 Cb 0.68 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 3mhh h TYR 29 CO 0.05 0.20 0.62 0.82 -1.64 0.00 0.00 178.16 178.20 3mhh h ILE 30 N 0.37 1.25 -0.16 1.81 2.04 -0.84 -1.78 117.51 120.20 3mhh h ILE 30 Ca 0.12 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 3mhh h ILE 30 Cb 0.00 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 35.93 3mhh h ILE 30 CO -0.06 0.25 -0.09 -0.07 0.00 0.00 0.00 178.15 178.18 3mhh h LEU 31 N 1.30 0.22 -0.25 1.44 3.38 -0.53 -2.26 115.31 118.61 3mhh h LEU 31 Ca 0.35 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3mhh h LEU 31 Cb -0.12 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3mhh h LEU 31 CO -0.07 0.35 -0.10 0.59 0.09 0.00 0.00 178.44 179.29 3mhh n ASN 32 N -4.31 0.50 -1.71 -0.43 4.13 -0.71 -4.11 115.26 108.62 3mhh n ASN 32 Ca -0.01 -0.63 0.02 0.00 1.68 0.00 0.00 54.58 55.64 3mhh n ASN 32 Cb 0.24 -0.07 0.05 0.00 -1.54 0.00 0.00 39.78 38.46 3mhh n ASN 32 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3mhh n HIS 33 N -0.91 0.42 -4.87 3.10 8.25 -0.88 -5.03 115.22 115.31 3mhh n HIS 33 Ca 0.15 -1.09 -0.33 0.00 -0.26 0.00 0.00 57.72 56.20 3mhh n HIS 33 Cb 0.27 -0.19 -0.16 0.00 1.12 0.00 0.00 29.99 31.03 3mhh n HIS 33 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3mhh s SER 34 N -2.65 3.42 0.68 0.41 0.01 -1.02 -4.97 113.70 109.58 3mhh s SER 34 Ca 0.34 -0.50 -0.15 0.00 1.31 0.00 0.00 55.95 56.95 3mhh s SER 34 Cb 0.37 -1.49 0.01 0.00 0.21 0.00 0.00 66.02 65.12 3mhh s SER 34 CO -0.12 0.13 1.13 0.68 0.41 0.00 0.00 173.24 175.48 3mhh s VAL 35 N 0.54 2.99 0.25 3.43 -7.23 -1.26 -4.67 120.40 114.44 3mhh s VAL 35 Ca -0.12 0.46 -0.07 0.00 -1.81 0.00 0.00 61.98 60.44 3mhh s VAL 35 Cb -0.16 -2.98 0.32 0.00 0.56 0.00 0.00 36.38 34.11 3mhh s VAL 35 CO 0.04 -0.28 1.61 -0.65 -0.31 0.00 0.00 175.10 175.51 3mhh h PRO 36 N -0.10 0.05 -0.38 4.82 0.11 -2.00 -0.64 132.00 133.87 3mhh h PRO 36 Ca -0.47 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3mhh h PRO 36 Cb 1.26 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3mhh h PRO 36 CO 0.53 0.03 0.06 0.87 -0.21 0.00 0.00 178.00 179.29 3mhh h LYS 37 N 0.05 0.63 -0.62 1.05 1.57 -2.00 -1.23 116.57 116.04 3mhh h LYS 37 Ca 0.42 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 3mhh h LYS 37 Cb 0.74 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 3mhh h LYS 37 CO -0.75 0.69 0.23 0.93 -0.57 0.00 0.00 179.45 179.97 3mhh h GLU 38 N 0.47 0.93 -0.54 3.15 4.39 -1.70 -0.89 114.58 120.39 3mhh h GLU 38 Ca 0.12 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3mhh h GLU 38 Cb 0.36 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 3mhh h GLU 38 CO 0.01 0.80 0.29 -0.22 -1.16 0.00 0.00 179.01 178.73 3mhh h LYS 39 N 0.87 0.75 -0.01 2.33 3.64 -0.85 0.17 116.57 123.47 3mhh h LYS 39 Ca 0.20 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3mhh h LYS 39 Cb 0.23 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3mhh h LYS 39 CO -0.01 0.58 0.00 0.74 -2.27 0.00 0.00 179.45 178.49 3mhh h PHE 40 N 0.72 0.01 0.00 1.91 0.04 -1.08 -0.76 116.94 117.78 3mhh h PHE 40 Ca 0.19 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 3mhh h PHE 40 Cb 0.05 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 3mhh h PHE 40 CO -0.01 0.19 0.00 -0.07 -0.60 0.00 0.00 178.31 177.81 3mhh h LEU 41 N -0.17 0.00 0.00 1.54 3.38 -0.90 -2.75 115.31 116.42 3mhh h LEU 41 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mhh h LEU 41 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3mhh h LEU 41 CO -0.00 0.00 -1.06 0.59 0.09 0.00 0.00 178.44 178.06 3mhh n ASN 42 N -2.98 4.46 0.00 -0.43 3.02 0.59 -4.50 115.26 115.41 3mhh n ASN 42 Ca 0.03 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 3mhh n ASN 42 Cb 0.42 1.08 0.00 0.00 -0.61 0.00 0.00 39.78 40.67 3mhh n ASN 42 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3mhh n THR 43 N -1.55 0.00 -1.58 3.41 -2.24 -0.32 -4.74 114.28 107.27 3mhh n THR 43 Ca -0.00 -0.41 0.06 0.00 -2.27 0.00 0.00 64.05 61.42 3mhh n THR 43 Cb 0.05 1.02 0.12 0.00 -2.10 0.00 0.00 70.33 69.41 3mhh n THR 43 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3mhh n MET 44 N -0.73 0.94 -3.99 -0.78 2.81 -1.05 -4.63 117.12 109.68 3mhh n MET 44 Ca 0.00 -2.39 -0.34 0.00 -1.81 0.00 0.00 57.70 53.16 3mhh n MET 44 Cb 0.00 -1.14 -0.15 0.00 -0.71 0.00 0.00 33.22 31.23 3mhh n MET 44 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3mhh s LYS 45 N -2.03 3.07 0.08 0.03 2.47 -1.12 -1.43 119.74 120.81 3mhh s LYS 45 Ca 0.28 -0.81 -0.31 0.00 -1.56 0.00 0.00 55.97 53.57 3mhh s LYS 45 Cb 0.26 -2.86 -0.06 0.00 -1.46 0.00 0.00 37.83 33.71 3mhh s LYS 45 CO -0.03 -0.27 1.23 0.00 0.16 0.00 0.00 175.35 176.44 3mhh h GLY 47 N 6.67 0.00 0.00 0.00 0.00 -0.95 0.17 103.07 108.96 3mhh h GLY 47 Ca -0.42 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 3mhh h GLY 47 CO 0.81 0.00 -0.64 2.41 0.00 0.00 0.00 176.54 179.12 3mhh n THR 48 N -3.19 1.44 1.08 4.70 -1.04 -1.26 -4.54 114.28 111.47 3mhh n THR 48 Ca -0.01 0.18 0.12 0.00 -2.04 0.00 0.00 64.05 62.30 3mhh n THR 48 Cb 0.22 -2.34 0.17 0.00 -1.82 0.00 0.00 70.33 66.55 3mhh n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mhh n HIS 50 N -0.94 -0.02 -2.90 0.00 -0.00 0.59 -4.98 115.22 106.97 3mhh n HIS 50 Ca 0.08 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.47 3mhh n HIS 50 Cb 0.36 -3.08 -0.07 0.00 -0.00 0.00 0.00 29.99 27.21 3mhh n HIS 50 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3mhh s GLU 51 N -3.31 4.22 -0.02 -0.41 2.02 -1.26 -4.66 118.70 115.27 3mhh s GLU 51 Ca 0.00 1.03 -0.22 0.00 0.02 0.00 0.00 54.97 55.81 3mhh s GLU 51 Cb 0.00 -2.32 -0.05 0.00 0.10 0.00 0.00 34.13 31.86 3mhh s GLU 51 CO 0.00 0.06 0.63 0.42 0.02 0.00 0.00 175.26 176.39 3mhh s ILE 52 N -2.06 4.95 -1.41 -1.63 -1.09 -1.26 -1.95 121.20 116.75 3mhh s ILE 52 Ca 0.58 1.31 -0.10 0.00 -2.23 0.00 0.00 60.65 60.22 3mhh s ILE 52 Cb -0.10 -3.97 0.03 0.00 -1.58 0.00 0.00 42.46 36.83 3mhh s ILE 52 CO 0.15 0.36 1.08 0.59 -1.23 0.00 0.00 174.94 175.89 3mhh n ASN 53 N 3.09 -6.04 -3.60 3.58 5.03 -0.52 -4.83 115.26 111.97 3mhh n ASN 53 Ca -0.05 -0.56 -0.41 0.00 0.87 0.00 0.00 54.58 54.44 3mhh n ASN 53 Cb 0.51 -4.78 -0.01 0.00 -1.02 0.00 0.00 39.78 34.48 3mhh n ASN 53 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3mhh n SER 54 N -2.92 4.76 -0.30 6.41 2.88 -1.26 -4.78 113.62 118.40 3mhh n SER 54 Ca 0.00 -2.74 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 3mhh n SER 54 Cb 0.56 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 3mhh n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mhh n GLY 55 N 4.03 -1.75 3.67 0.46 0.00 -1.26 -1.29 105.19 109.05 3mhh n GLY 55 Ca 0.57 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 3mhh n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhh n ALA 56 N 0.01 0.88 -2.55 4.61 0.00 -1.26 -4.64 120.51 117.56 3mhh n ALA 56 Ca 0.00 0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.31 3mhh n ALA 56 Cb 0.00 -2.21 -0.13 0.00 0.00 0.00 0.00 19.45 17.11 3mhh n ALA 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mhh s THR 57 N -1.28 3.18 -0.10 0.00 2.01 -1.26 -1.44 115.64 116.74 3mhh s THR 57 Ca 0.65 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.99 3mhh s THR 57 Cb -0.50 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 3mhh s THR 57 CO 0.55 0.59 -0.15 -0.36 -0.69 0.00 0.00 174.62 174.55 3mhh s PHE 58 N -0.65 2.73 -0.26 4.92 0.08 0.45 -1.50 117.98 123.76 3mhh s PHE 58 Ca 0.10 -0.55 -0.16 0.00 0.12 0.00 0.00 56.93 56.44 3mhh s PHE 58 Cb -0.11 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 3mhh s PHE 58 CO 0.01 -0.12 0.42 -1.64 -0.10 0.00 0.00 175.22 173.79 3mhh s MET 59 N 0.02 4.05 0.37 0.44 -1.94 0.75 -1.61 119.30 121.37 3mhh s MET 59 Ca -0.05 0.15 -0.26 0.00 -1.71 0.00 0.00 55.69 53.82 3mhh s MET 59 Cb -0.14 -3.64 -0.09 0.00 2.01 0.00 0.00 34.83 32.97 3mhh s MET 59 CO 0.04 -0.27 1.10 0.00 -0.01 0.00 0.00 175.02 175.88 3mhh h LEU 61 N 2.84 0.55 0.00 0.00 4.07 -1.53 -3.35 115.31 117.89 3mhh h LEU 61 Ca -0.48 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.14 3mhh h LEU 61 Cb 1.22 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.80 3mhh h LEU 61 CO 0.63 1.07 -1.35 0.00 -1.08 0.00 0.00 178.44 177.72 3mhh n GLN 62 N -3.88 0.51 -3.96 1.13 6.02 -1.26 -4.99 117.38 110.95 3mhh n GLN 62 Ca -0.04 -0.03 -0.14 0.00 -0.01 0.00 0.00 57.00 56.78 3mhh n GLN 62 Cb 0.68 -1.64 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 3mhh n GLN 62 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mhh n GLY 64 N -0.58 -0.97 3.77 0.00 0.00 -1.26 -4.19 105.19 101.97 3mhh n GLY 64 Ca 0.00 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3mhh n GLY 64 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mhh s PHE 65 N -2.00 3.38 -0.09 1.61 5.36 -1.26 -4.85 117.98 120.13 3mhh s PHE 65 Ca 0.40 1.67 0.03 0.00 -0.96 0.00 0.00 56.93 58.07 3mhh s PHE 65 Cb 0.19 -3.19 -0.01 0.00 -0.34 0.00 0.00 43.02 39.67 3mhh s PHE 65 CO 0.31 -0.60 -0.19 0.00 -1.46 0.00 0.00 175.22 173.27 3mhh s GLY 67 N -0.00 0.53 0.54 0.00 0.00 -0.63 -0.19 107.32 107.56 3mhh s GLY 67 Ca -0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 44.72 44.02 3mhh s GLY 67 CO 0.05 -0.58 0.82 0.00 0.00 0.00 0.00 173.10 173.39 3mhh h TRP 69 N 0.03 0.00 -0.44 0.00 2.91 -1.10 -1.64 115.95 115.71 3mhh h TRP 69 Ca -0.46 0.00 0.06 0.00 1.13 0.00 0.00 58.89 59.63 3mhh h TRP 69 Cb 1.25 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.88 3mhh h TRP 69 CO 0.48 1.27 0.30 -0.91 -1.03 0.00 0.00 178.44 178.55 3mhh h ASN 70 N -1.00 0.29 -0.53 2.65 -0.26 -1.46 0.29 115.58 115.56 3mhh h ASN 70 Ca -0.29 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.45 3mhh h ASN 70 Cb 1.18 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.38 3mhh h ASN 70 CO -0.18 0.19 0.00 1.41 -1.06 0.00 0.00 177.43 177.79 3mhh n HIS 71 N -4.47 1.01 -2.57 1.19 8.25 -1.26 -4.97 115.22 112.39 3mhh n HIS 71 Ca 0.06 -0.59 -0.20 0.00 -0.26 0.00 0.00 57.72 56.73 3mhh n HIS 71 Cb 0.27 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3mhh n HIS 71 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3mhh n SER 72 N 0.85 -5.75 0.15 0.41 7.64 0.10 -4.91 113.62 112.12 3mhh n SER 72 Ca 0.21 -0.10 0.12 0.00 1.01 0.00 0.00 58.87 60.11 3mhh n SER 72 Cb 0.70 -4.71 0.20 0.00 -1.01 0.00 0.00 64.21 59.38 3mhh n SER 72 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3mhh h HIS 73 N -0.43 0.00 0.19 1.43 3.86 -1.53 -2.06 115.15 116.61 3mhh h HIS 73 Ca -0.48 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.42 3mhh h HIS 73 Cb 1.35 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.84 3mhh h HIS 73 CO 0.52 0.00 -1.48 0.35 0.86 0.00 0.00 177.93 178.18 3mhh h PHE 74 N 0.00 0.74 -0.60 2.45 3.57 -1.69 -3.06 116.94 118.36 3mhh h PHE 74 Ca 0.00 -0.54 0.12 0.00 3.53 0.00 0.00 57.97 61.08 3mhh h PHE 74 Cb 0.91 -0.03 -0.11 0.00 2.79 0.00 0.00 35.95 39.50 3mhh h PHE 74 CO 0.00 1.57 -0.13 1.25 -2.23 0.00 0.00 178.31 178.77 3mhh h LEU 75 N -0.02 -0.52 -1.46 0.59 5.85 -1.82 0.24 115.31 118.17 3mhh h LEU 75 Ca -0.28 0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.67 3mhh h LEU 75 Cb 2.01 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 43.36 3mhh h LEU 75 CO 0.19 -0.19 0.42 0.28 -0.34 0.00 0.00 178.44 178.80 3mhh h SER 76 N 0.01 0.58 -0.27 1.25 0.02 -1.46 -2.00 113.55 111.68 3mhh h SER 76 Ca 0.29 -0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.07 3mhh h SER 76 Cb 0.45 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3mhh h SER 76 CO -0.60 0.38 -0.49 -0.74 -1.14 0.00 0.00 176.83 174.24 3mhh h HIS 77 N 0.66 1.05 -0.65 3.45 -0.00 -0.69 -2.57 115.15 116.40 3mhh h HIS 77 Ca 0.27 -0.35 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 3mhh h HIS 77 Cb 0.23 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.40 3mhh h HIS 77 CO -0.00 1.16 0.36 0.66 -0.00 0.00 0.00 177.93 180.11 3mhh h SER 78 N 0.67 0.80 0.11 3.26 4.64 0.11 -2.27 113.55 120.87 3mhh h SER 78 Ca 0.03 -0.06 -0.28 0.00 -0.47 0.00 0.00 61.79 61.01 3mhh h SER 78 Cb 1.08 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 3mhh h SER 78 CO 0.11 0.65 -1.45 0.07 -0.87 0.00 0.00 176.83 175.34 3mhh h LYS 79 N 0.91 0.23 0.00 4.77 2.10 -1.52 0.59 116.57 123.65 3mhh h LYS 79 Ca 0.23 -0.39 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 3mhh h LYS 79 Cb 0.03 0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 3mhh h LYS 79 CO -0.04 1.19 0.00 -0.56 -2.00 0.00 0.00 179.45 178.04 3mhh h GLN 80 N -0.31 0.00 0.00 0.07 3.07 -1.47 -3.29 115.11 113.18 3mhh h GLN 80 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.42 3mhh h GLN 80 Cb 1.76 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.32 3mhh h GLN 80 CO 0.05 0.00 -0.89 -0.89 0.09 0.00 0.00 178.83 177.18 3mhh n ILE 81 N -2.76 0.00 -0.85 1.86 -0.00 -0.86 -5.04 119.36 111.71 3mhh n ILE 81 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.77 3mhh n ILE 81 Cb 0.32 0.27 0.00 0.00 -0.00 0.00 0.00 39.64 40.23 3mhh n ILE 81 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3mhh n GLY 82 N 2.30 0.67 3.28 7.39 0.00 0.17 -5.04 105.19 113.96 3mhh n GLY 82 Ca 0.00 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 44.88 3mhh n GLY 82 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mhh s HIS 83 N -2.00 3.32 -2.32 1.61 3.76 -1.00 -4.95 115.29 113.71 3mhh s HIS 83 Ca 0.00 -1.46 0.20 0.00 -0.15 0.00 0.00 55.06 53.65 3mhh s HIS 83 Cb 0.00 -3.55 0.11 0.00 1.11 0.00 0.00 32.58 30.25 3mhh s HIS 83 CO 0.00 -0.97 1.09 0.44 -0.85 0.00 0.00 174.74 174.46 3mhh n ILE 84 N 5.10 0.00 -4.27 0.60 -5.35 -1.26 -3.68 119.36 110.51 3mhh n ILE 84 Ca -0.11 -0.44 -0.34 0.00 -0.27 0.00 0.00 62.75 61.59 3mhh n ILE 84 Cb 0.41 1.37 -0.15 0.00 -1.74 0.00 0.00 39.64 39.53 3mhh n ILE 84 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3mhh s PHE 85 N -1.84 2.83 0.06 4.28 0.40 -1.26 -1.01 117.98 121.45 3mhh s PHE 85 Ca 0.21 -1.13 0.03 0.00 -0.60 0.00 0.00 56.93 55.45 3mhh s PHE 85 Cb 0.17 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 3mhh s PHE 85 CO 0.32 -0.56 -0.10 0.20 0.70 0.00 0.00 175.22 175.78 3mhh s GLY 86 N 1.09 0.68 -0.23 4.36 0.00 -0.76 -1.24 107.32 111.21 3mhh s GLY 86 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 44.72 43.76 3mhh s GLY 86 CO -0.04 -0.95 0.02 -0.42 0.00 0.00 0.00 173.10 171.71 3mhh s ILE 87 N -1.47 3.89 -0.02 0.90 1.01 0.13 0.44 121.20 126.08 3mhh s ILE 87 Ca -0.05 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 3mhh s ILE 87 Cb -0.09 -2.79 -0.07 0.00 0.01 0.00 0.00 42.46 39.51 3mhh s ILE 87 CO 0.01 0.39 1.86 0.21 0.00 0.00 0.00 174.94 177.41 3mhh s ASN 88 N 1.46 6.45 0.00 3.58 3.84 -0.53 -0.18 114.94 129.56 3mhh s ASN 88 Ca 0.05 2.43 0.22 0.00 0.21 0.00 0.00 52.86 55.77 3mhh s ASN 88 Cb -0.15 -2.53 1.05 0.00 -0.55 0.00 0.00 41.25 39.08 3mhh s ASN 88 CO 0.01 -1.08 1.71 -1.54 -2.79 0.00 0.00 177.10 173.40 3mhh n SER 89 N 7.72 0.00 0.15 -4.21 3.41 -0.56 -0.34 113.62 119.79 3mhh n SER 89 Ca 0.20 0.14 0.12 0.00 -0.26 0.00 0.00 58.87 59.07 3mhh n SER 89 Cb 0.42 -0.35 0.18 0.00 -0.26 0.00 0.00 64.21 64.19 3mhh n SER 89 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3mhh h ASN 90 N 0.00 0.00 0.00 4.04 2.35 -1.90 -3.43 115.58 116.64 3mhh h ASN 90 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3mhh h ASN 90 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3mhh h ASN 90 CO 0.00 0.02 0.00 -0.46 -1.65 0.00 0.00 177.43 175.34 3mhh n ASN 91 N -2.70 0.00 -0.06 5.81 0.23 -0.94 -5.04 115.26 112.56 3mhh n ASN 91 Ca 0.03 -0.49 -0.01 0.00 -0.53 0.00 0.00 54.58 53.59 3mhh n ASN 91 Cb 0.50 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.20 3mhh n ASN 91 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mhh n GLY 92 N 0.00 0.42 3.78 4.83 0.00 0.54 -5.01 105.19 109.75 3mhh n GLY 92 Ca 0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3mhh n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mhh s LEU 93 N -0.17 4.32 -0.16 0.99 1.43 -1.26 -4.78 118.68 119.05 3mhh s LEU 93 Ca 0.00 1.80 -0.14 0.00 -1.03 0.00 0.00 54.13 54.77 3mhh s LEU 93 Cb 0.00 -4.02 -0.05 0.00 0.03 0.00 0.00 46.19 42.16 3mhh s LEU 93 CO 0.00 -0.08 0.29 -0.22 0.23 0.00 0.00 176.35 176.57 3mhh s LEU 94 N -2.11 4.24 0.01 1.79 2.96 -1.26 -1.46 118.68 122.85 3mhh s LEU 94 Ca 0.50 0.49 0.05 0.00 -0.22 0.00 0.00 54.13 54.96 3mhh s LEU 94 Cb -0.18 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 3mhh s LEU 94 CO 0.23 0.10 -0.15 0.12 -1.32 0.00 0.00 176.35 175.33 3mhh s PHE 95 N 0.49 2.67 -0.21 5.38 5.36 0.17 -1.32 117.98 130.51 3mhh s PHE 95 Ca 0.16 -0.18 -0.04 0.00 -0.96 0.00 0.00 56.93 55.90 3mhh s PHE 95 Cb -0.13 -1.54 -0.02 0.00 -0.34 0.00 0.00 43.02 40.99 3mhh s PHE 95 CO 0.04 0.26 -0.02 0.00 -1.46 0.00 0.00 175.22 174.03 3mhh n PHE 97 N 4.56 0.10 -0.09 0.00 3.72 -0.18 -0.37 117.46 125.22 3mhh n PHE 97 Ca -0.18 -0.05 -0.22 0.00 -0.05 0.00 0.00 57.45 56.96 3mhh n PHE 97 Cb 0.51 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.93 3mhh n PHE 97 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3mhh h LYS 98 N 2.48 0.04 0.00 -1.08 1.79 -1.95 -3.35 116.57 114.50 3mhh h LYS 98 Ca 0.00 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 3mhh h LYS 98 Cb 0.53 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 3mhh h LYS 98 CO 0.00 1.03 -0.13 0.00 -1.08 0.00 0.00 179.45 179.27 3mhh n GLU 100 N -3.43 -5.24 -3.81 0.00 1.02 0.51 -4.98 120.64 104.70 3mhh n GLU 100 Ca -0.01 0.58 -0.09 0.00 -0.02 0.00 0.00 57.16 57.61 3mhh n GLU 100 Cb 0.30 -5.41 -0.06 0.00 -0.02 0.00 0.00 31.44 26.25 3mhh n GLU 100 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3mhh s ASP 101 N -3.41 -0.02 0.41 1.62 2.15 -0.88 -5.00 116.67 111.53 3mhh s ASP 101 Ca 0.61 -0.60 -0.23 0.00 0.43 0.00 0.00 52.55 52.76 3mhh s ASP 101 Cb -0.31 0.41 -0.09 0.00 -0.30 0.00 0.00 42.92 42.63 3mhh s ASP 101 CO 0.84 -0.82 1.02 -0.31 -0.17 0.00 0.00 175.17 175.73 3mhh s TYR 102 N -3.87 3.29 -0.72 -5.34 2.02 -1.26 -1.41 117.35 110.05 3mhh s TYR 102 Ca 0.07 1.65 -0.19 0.00 -0.37 0.00 0.00 57.07 58.24 3mhh s TYR 102 Cb 0.03 -3.06 0.12 0.00 -0.40 0.00 0.00 41.96 38.66 3mhh s TYR 102 CO -0.08 -0.49 0.85 0.42 -1.57 0.00 0.00 175.55 174.69 3mhh s ILE 103 N -1.77 4.85 -0.34 2.71 1.01 -0.44 -4.84 121.20 122.38 3mhh s ILE 103 Ca 0.59 -1.28 0.05 0.00 0.00 0.00 0.00 60.65 60.01 3mhh s ILE 103 Cb -0.19 -4.59 -0.03 0.00 0.01 0.00 0.00 42.46 37.67 3mhh s ILE 103 CO 0.24 -1.25 0.33 0.61 0.00 0.00 0.00 174.94 174.86 3mhh n GLY 104 N 5.15 0.16 0.82 6.18 0.00 -1.26 -4.56 105.19 111.68 3mhh n GLY 104 Ca 0.03 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.99 3mhh n GLY 104 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mhh n ASN 105 N -0.74 3.59 -4.28 1.61 6.94 -1.26 -4.86 115.26 116.25 3mhh n ASN 105 Ca 0.01 -3.09 -0.38 0.00 -0.02 0.00 0.00 54.58 51.10 3mhh n ASN 105 Cb 0.09 -0.54 -0.12 0.00 -2.36 0.00 0.00 39.78 36.85 3mhh n ASN 105 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3mhh s ILE 106 N -2.87 3.84 0.37 1.53 1.01 -1.26 -4.99 121.20 118.82 3mhh s ILE 106 Ca 0.41 -1.12 0.08 0.00 0.00 0.00 0.00 60.65 60.03 3mhh s ILE 106 Cb 0.34 -3.17 0.31 0.00 0.01 0.00 0.00 42.46 39.95 3mhh s ILE 106 CO 0.07 -0.18 1.93 0.44 0.00 0.00 0.00 174.94 177.20 3mhh h ASP 107 N 8.23 0.63 -0.40 3.58 3.32 -1.98 -1.59 116.42 128.21 3mhh h ASP 107 Ca -0.23 0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.86 3mhh h ASP 107 Cb 1.08 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 3mhh h ASP 107 CO 0.61 0.37 0.22 0.25 -1.72 0.00 0.00 179.24 178.97 3mhh h LEU 108 N 0.70 0.33 -0.30 1.55 5.85 -1.94 0.83 115.31 122.33 3mhh h LEU 108 Ca 0.36 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 3mhh h LEU 108 Cb 0.46 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3mhh h LEU 108 CO -0.13 0.24 0.01 0.40 -0.34 0.00 0.00 178.44 178.61 3mhh h ILE 109 N 0.44 1.25 -0.74 4.05 2.04 -1.79 -0.30 117.51 122.46 3mhh h ILE 109 Ca 0.17 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 3mhh h ILE 109 Cb 0.05 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3mhh h ILE 109 CO -0.10 0.29 0.38 0.78 0.00 0.00 0.00 178.15 179.50 3mhh h ASN 110 N 0.31 0.93 -0.83 1.72 -0.26 -0.60 -2.66 115.58 114.20 3mhh h ASN 110 Ca 0.08 -0.09 -0.49 0.00 -0.56 0.00 0.00 56.30 55.25 3mhh h ASN 110 Cb 0.42 -0.24 -0.27 0.00 -1.06 0.00 0.00 38.32 37.17 3mhh h ASN 110 CO 0.01 0.77 0.43 0.47 -1.06 0.00 0.00 177.43 178.05 3mhh n ASP 111 N -4.34 4.63 -0.41 5.81 10.43 0.28 -4.82 116.55 128.13 3mhh n ASP 111 Ca 0.07 -3.72 0.33 0.00 2.57 0.00 0.00 54.79 54.05 3mhh n ASP 111 Cb 0.12 -0.79 0.63 0.00 1.84 0.00 0.00 41.12 42.92 3mhh n ASP 111 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3mhh h ALA 112 N 1.37 2.70 -0.04 2.24 0.00 -0.67 0.20 119.26 125.05 3mhh h ALA 112 Ca 0.52 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.50 3mhh h ALA 112 Cb 1.93 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.84 3mhh h ALA 112 CO 1.05 -1.22 0.38 0.82 0.00 0.00 0.00 179.25 180.28 3mhh h ILE 113 N 0.17 0.03 -0.28 0.00 1.08 -1.87 0.34 117.51 116.98 3mhh h ILE 113 Ca 0.72 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.19 3mhh h ILE 113 Cb 2.27 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.65 3mhh h ILE 113 CO -0.30 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.34 3mhh n LEU 114 N -2.94 3.10 -0.34 1.44 4.77 0.70 -4.67 117.00 119.04 3mhh n LEU 114 Ca -0.01 -1.42 0.07 0.00 -0.03 0.00 0.00 56.01 54.62 3mhh n LEU 114 Cb 0.44 -0.18 0.16 0.00 -2.33 0.00 0.00 43.42 41.51 3mhh n LEU 114 CO 0.14 0.65 0.65 0.00 -1.33 0.00 0.00 177.39 177.51 3mhh n ALA 115 N 1.22 0.27 0.29 -1.18 0.00 0.12 0.26 120.51 121.49 3mhh n ALA 115 Ca 0.16 1.05 0.18 0.00 0.00 0.00 0.00 53.44 54.83 3mhh n ALA 115 Cb 0.53 -0.65 0.92 0.00 0.00 0.00 0.00 19.45 20.25 3mhh n ALA 115 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3mhh h LYS 116 N 0.00 0.00 -0.06 0.00 3.64 -1.83 -1.84 116.57 116.48 3mhh h LYS 116 Ca 0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 3mhh h LYS 116 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3mhh h LYS 116 CO -0.98 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 176.86 3mhh n TYR 117 N -2.81 0.12 -0.36 1.91 4.01 0.14 -4.87 117.16 115.31 3mhh n TYR 117 Ca -0.02 -0.66 0.04 0.00 -0.16 0.00 0.00 57.90 57.10 3mhh n TYR 117 Cb 0.11 -0.09 0.20 0.00 -0.31 0.00 0.00 39.34 39.25 3mhh n TYR 117 CO 0.00 0.00 0.00 2.35 -0.46 0.00 0.00 176.86 178.75 3mhh h TRP 118 N 0.39 1.17 -0.45 -0.72 2.91 -0.67 -1.82 115.95 116.76 3mhh h TRP 118 Ca 0.00 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 3mhh h TRP 118 Cb 0.73 -0.38 -0.02 0.00 -0.51 0.00 0.00 29.16 28.98 3mhh h TRP 118 CO 0.06 0.57 0.13 -0.44 -1.03 0.00 0.00 178.44 177.73 3mhh h ASP 119 N 1.12 0.66 0.11 2.65 5.19 -1.89 0.17 116.42 124.43 3mhh h ASP 119 Ca 0.44 -0.22 0.01 0.00 -0.62 0.00 0.00 57.03 56.64 3mhh h ASP 119 Cb 0.25 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 3mhh h ASP 119 CO -0.19 0.71 -0.14 0.44 -3.12 0.00 0.00 179.24 176.94 3mhh h ASP 120 N 0.59 -0.37 -0.32 6.45 5.19 -1.79 -2.51 116.42 123.65 3mhh h ASP 120 Ca 0.14 0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.66 3mhh h ASP 120 Cb 0.29 0.14 -0.07 0.00 0.18 0.00 0.00 39.33 39.87 3mhh h ASP 120 CO -0.00 -0.21 -0.13 0.58 -3.12 0.00 0.00 179.24 176.36 3mhh h VAL 121 N -0.29 0.57 -0.62 -1.35 2.07 -0.82 -1.22 116.25 114.59 3mhh h VAL 121 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3mhh h VAL 121 Cb 0.29 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3mhh h VAL 121 CO -0.05 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.85 3mhh h THR 123 N 0.87 0.98 -0.00 0.00 2.02 -1.00 -3.38 112.91 112.40 3mhh h THR 123 Ca 0.22 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 64.90 3mhh h THR 123 Cb 0.07 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3mhh h THR 123 CO -0.03 0.56 -0.46 0.29 0.37 0.00 0.00 175.52 176.25 3mhh n LYS 124 N -3.16 2.66 -4.05 6.66 5.02 -0.50 -4.97 118.16 119.81 3mhh n LYS 124 Ca -0.03 -0.25 -0.10 0.00 -2.02 0.00 0.00 58.31 55.92 3mhh n LYS 124 Cb 0.83 -1.10 -0.11 0.00 -0.02 0.00 0.00 35.03 34.64 3mhh n LYS 124 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mhh s THR 125 N -1.93 0.33 0.19 -0.18 -4.23 -0.61 -5.06 115.64 104.15 3mhh s THR 125 Ca 0.07 -1.27 0.07 0.00 -1.18 0.00 0.00 61.69 59.38 3mhh s THR 125 Cb 0.09 -0.79 -0.05 0.00 1.34 0.00 0.00 72.50 73.10 3mhh s THR 125 CO 0.43 -0.61 -0.14 0.00 -0.54 0.00 0.00 174.62 173.75 3mhh s MET 126 N -2.29 1.29 0.82 3.99 0.23 -1.26 -4.56 119.30 117.51 3mhh s MET 126 Ca -0.06 -1.55 -0.10 0.00 -1.03 0.00 0.00 55.69 52.94 3mhh s MET 126 Cb -0.04 -1.08 0.08 0.00 -1.53 0.00 0.00 34.83 32.26 3mhh s MET 126 CO -0.03 0.18 1.10 0.14 -2.03 0.00 0.00 175.02 174.39 3mhh s VAL 127 N -2.92 2.97 0.65 5.16 -7.23 -1.26 -4.96 120.40 112.82 3mhh s VAL 127 Ca 0.21 0.32 -0.17 0.00 -1.81 0.00 0.00 61.98 60.52 3mhh s VAL 127 Cb -0.01 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 3mhh s VAL 127 CO 0.06 -0.41 1.23 -2.84 -0.31 0.00 0.00 175.10 172.83 3mhh s PRO 128 N -4.84 2.61 0.48 4.82 0.02 -1.26 -4.97 135.00 131.87 3mhh s PRO 128 Ca 0.63 1.86 -0.21 0.00 0.02 0.00 0.00 61.00 63.29 3mhh s PRO 128 Cb -0.19 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 3mhh s PRO 128 CO 0.57 -1.49 1.07 -1.54 -0.33 0.00 0.00 177.00 175.28 3mhh s SER 129 N -1.70 6.24 0.27 2.53 1.04 -1.26 -4.86 113.70 115.96 3mhh s SER 129 Ca 0.78 2.04 -0.00 0.00 0.48 0.00 0.00 55.95 59.24 3mhh s SER 129 Cb -0.32 -2.57 0.62 0.00 0.10 0.00 0.00 66.02 63.85 3mhh s SER 129 CO 0.39 -0.85 1.68 -0.03 0.98 0.00 0.00 173.24 175.41 3mhh h MET 130 N 1.66 0.31 0.00 4.02 4.05 -2.00 -1.55 114.93 121.42 3mhh h MET 130 Ca -0.49 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 58.83 3mhh h MET 130 Cb 1.23 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.95 3mhh h MET 130 CO 0.59 0.21 -0.37 0.93 0.23 0.00 0.00 176.91 178.50 3mhh h GLU 131 N 0.32 0.00 -0.00 0.39 3.07 -2.00 -3.26 114.58 113.10 3mhh h GLU 131 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 3mhh h GLU 131 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 3mhh h GLU 131 CO -0.54 0.37 -0.50 0.54 -1.40 0.00 0.00 179.01 177.47 3mhh n ARG 132 N -3.44 2.09 0.03 2.33 5.12 -0.82 -4.65 116.66 117.32 3mhh n ARG 132 Ca 0.00 -0.34 0.20 0.00 -1.93 0.00 0.00 57.85 55.78 3mhh n ARG 132 Cb 0.54 -1.20 0.70 0.00 -1.16 0.00 0.00 32.46 31.34 3mhh n ARG 132 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 3mhh h ARG 133 N 0.74 0.00 -0.47 5.56 0.11 -1.35 0.24 114.38 119.21 3mhh h ARG 133 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3mhh h ARG 133 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 3mhh h ARG 133 CO 0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 3mhh n ASP 134 N -4.29 3.27 -0.36 0.08 8.00 -1.26 -4.97 116.55 117.02 3mhh n ASP 134 Ca 0.09 -1.99 -0.05 0.00 0.71 0.00 0.00 54.79 53.55 3mhh n ASP 134 Cb 0.57 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 3mhh n ASP 134 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mhh n GLY 135 N 0.94 0.61 3.67 0.44 0.00 0.07 -4.96 105.19 105.97 3mhh n GLY 135 Ca 0.16 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3mhh n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mhh s LEU 136 N -1.07 4.19 -0.28 0.99 1.43 -1.26 -4.80 118.68 117.88 3mhh s LEU 136 Ca 0.00 1.30 -0.25 0.00 -1.03 0.00 0.00 54.13 54.15 3mhh s LEU 136 Cb 0.00 -3.37 0.14 0.00 0.03 0.00 0.00 46.19 43.00 3mhh s LEU 136 CO 0.00 -0.45 1.16 -0.55 0.23 0.00 0.00 176.35 176.74 3mhh s SER 137 N 1.15 -0.32 0.34 2.29 0.15 -1.26 -4.94 113.70 111.10 3mhh s SER 137 Ca 0.42 0.61 -0.04 0.00 0.70 0.00 0.00 55.95 57.63 3mhh s SER 137 Cb -0.17 0.61 -0.05 0.00 -1.71 0.00 0.00 66.02 64.70 3mhh s SER 137 CO 0.13 -0.12 0.61 -0.83 1.20 0.00 0.00 173.24 174.23 3mhh s GLY 138 N 0.08 1.71 -0.23 9.45 0.00 -1.26 -4.98 107.32 112.09 3mhh s GLY 138 Ca 0.04 -0.59 -0.05 0.00 0.00 0.00 0.00 44.72 44.12 3mhh s GLY 138 CO -0.09 -0.47 -0.00 1.08 0.00 0.00 0.00 173.10 173.62 3mhh s LEU 139 N -3.90 3.10 0.40 0.66 1.43 -1.00 -4.75 118.68 114.62 3mhh s LEU 139 Ca 0.44 -0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 52.96 3mhh s LEU 139 Cb -0.10 -1.80 -0.10 0.00 0.03 0.00 0.00 46.19 44.21 3mhh s LEU 139 CO 0.33 -0.02 1.38 -0.38 0.23 0.00 0.00 176.35 177.90 3mhh n ILE 140 N 4.78 2.33 -2.72 -0.59 5.41 -1.26 -3.01 119.36 124.30 3mhh n ILE 140 Ca -0.17 -0.50 -0.43 0.00 1.00 0.00 0.00 62.75 62.65 3mhh n ILE 140 Cb 0.51 -1.76 -0.03 0.00 -0.71 0.00 0.00 39.64 37.65 3mhh n ILE 140 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3mhh s ASN 141 N -0.35 6.63 -0.17 4.38 3.84 -1.26 -4.90 114.94 123.11 3mhh s ASN 141 Ca 0.57 0.44 0.16 0.00 0.21 0.00 0.00 52.86 54.25 3mhh s ASN 141 Cb -0.50 -2.50 0.73 0.00 -0.55 0.00 0.00 41.25 38.44 3mhh s ASN 141 CO 0.61 -1.06 1.65 0.23 -2.79 0.00 0.00 177.10 175.73 3mhh n MET 142 N 7.29 4.14 0.00 0.43 2.81 -1.26 -4.81 117.12 125.72 3mhh n MET 142 Ca 0.09 -2.99 0.00 0.00 -1.81 0.00 0.00 57.70 52.99 3mhh n MET 142 Cb 0.48 -2.04 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 3mhh n MET 142 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mhh n GLY 143 N 0.69 0.76 3.61 3.03 0.00 -1.26 -4.90 105.19 107.12 3mhh n GLY 143 Ca 0.26 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 3mhh n GLY 143 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mhh n SER 144 N 0.00 -4.17 -0.10 1.61 7.64 -1.26 -4.92 113.62 112.42 3mhh n SER 144 Ca 0.00 -0.90 0.05 0.00 1.01 0.00 0.00 58.87 59.03 3mhh n SER 144 Cb 0.00 -3.92 0.07 0.00 -1.01 0.00 0.00 64.21 59.35 3mhh n SER 144 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3mhh n THR 145 N -4.03 1.22 0.25 0.44 -2.24 -1.26 -4.66 114.28 104.01 3mhh n THR 145 Ca -0.16 -1.40 0.14 0.00 -2.27 0.00 0.00 64.05 60.36 3mhh n THR 145 Cb 0.63 0.19 0.57 0.00 -2.10 0.00 0.00 70.33 69.61 3mhh n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mhh h PHE 147 N 0.00 0.00 0.00 0.00 -5.15 -1.89 -1.40 116.94 108.50 3mhh h PHE 147 Ca -0.00 0.00 -0.45 0.00 -0.20 0.00 0.00 57.97 57.32 3mhh h PHE 147 Cb 0.63 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 36.73 3mhh h PHE 147 CO 0.00 0.00 -2.47 -1.33 -2.00 0.00 0.00 178.31 172.51 3mhh n MET 148 N -2.44 0.59 -0.29 6.09 2.81 -0.76 -4.35 117.12 118.78 3mhh n MET 148 Ca 0.01 0.27 -0.03 0.00 -1.81 0.00 0.00 57.70 56.14 3mhh n MET 148 Cb 0.20 -1.51 0.13 0.00 -0.71 0.00 0.00 33.22 31.33 3mhh n MET 148 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3mhh h SER 149 N -0.91 1.04 -0.71 7.83 4.64 -1.16 -0.75 113.55 123.54 3mhh h SER 149 Ca -0.68 -0.09 0.02 0.00 -0.47 0.00 0.00 61.79 60.58 3mhh h SER 149 Cb 1.63 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 63.41 3mhh h SER 149 CO -0.39 0.84 0.45 0.77 -0.87 0.00 0.00 176.83 177.63 3mhh h SER 150 N 1.17 0.76 -0.34 4.97 4.64 -1.50 -1.31 113.55 121.94 3mhh h SER 150 Ca 0.30 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.53 3mhh h SER 150 Cb 0.03 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3mhh h SER 150 CO -0.05 0.53 -0.09 0.40 -0.87 0.00 0.00 176.83 176.75 3mhh h ILE 151 N 0.90 1.28 -0.69 0.95 1.08 -1.66 -3.09 117.51 116.27 3mhh h ILE 151 Ca 0.28 -1.15 -0.00 0.00 -0.39 0.00 0.00 64.86 63.59 3mhh h ILE 151 Cb -0.01 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 3mhh h ILE 151 CO -0.10 0.38 0.42 -0.07 -0.69 0.00 0.00 178.15 178.09 3mhh h LEU 152 N 0.44 0.84 -0.48 1.44 3.38 -0.77 -1.35 115.31 118.81 3mhh h LEU 152 Ca 0.08 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3mhh h LEU 152 Cb 0.59 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3mhh h LEU 152 CO 0.03 0.66 0.15 1.56 0.09 0.00 0.00 178.44 180.93 3mhh h GLN 153 N 0.95 0.31 -0.23 1.13 1.08 -1.21 0.26 115.11 117.40 3mhh h GLN 153 Ca 0.25 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.39 3mhh h GLN 153 Cb -0.02 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 3mhh h GLN 153 CO -0.05 0.20 -0.05 0.00 -0.95 0.00 0.00 178.83 177.99 3mhh h LEU 155 N 0.33 0.25 -1.93 0.00 6.46 -0.08 -2.48 115.31 117.86 3mhh h LEU 155 Ca 0.07 -0.54 -0.02 0.00 -0.12 0.00 0.00 57.88 57.26 3mhh h LEU 155 Cb 0.31 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 3mhh h LEU 155 CO 0.01 0.75 -0.12 0.40 -0.62 0.00 0.00 178.44 178.87 3mhh h ILE 156 N -0.23 0.68 -0.61 4.05 5.03 -0.23 -0.83 117.51 125.37 3mhh h ILE 156 Ca 0.01 -0.49 -0.21 0.00 -0.12 0.00 0.00 64.86 64.05 3mhh h ILE 156 Cb 0.70 1.30 -0.12 0.00 -3.03 0.00 0.00 36.82 35.67 3mhh h ILE 156 CO 0.03 0.12 0.20 1.41 -0.68 0.00 0.00 178.15 179.22 3mhh n HIS 157 N -3.81 1.98 -3.42 1.37 8.25 -0.32 -4.75 115.22 114.52 3mhh n HIS 157 Ca -0.02 -1.31 -0.39 0.00 -0.26 0.00 0.00 57.72 55.74 3mhh n HIS 157 Cb 0.22 -0.61 -0.09 0.00 1.12 0.00 0.00 29.99 30.62 3mhh n HIS 157 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3mhh s ASN 158 N -1.55 6.20 0.33 0.41 3.84 -0.32 -4.95 114.94 118.90 3mhh s ASN 158 Ca 0.51 0.09 0.10 0.00 0.21 0.00 0.00 52.86 53.77 3mhh s ASN 158 Cb 0.42 -2.19 0.89 0.00 -0.55 0.00 0.00 41.25 39.81 3mhh s ASN 158 CO 0.10 -0.21 1.74 -0.65 -2.79 0.00 0.00 177.10 175.29 3mhh h PRO 159 N 8.29 0.58 -0.19 0.43 0.10 -1.91 0.74 132.00 140.04 3mhh h PRO 159 Ca -0.32 -0.03 -0.13 0.00 0.10 0.00 0.00 66.00 65.62 3mhh h PRO 159 Cb 1.16 -0.13 0.00 0.00 0.10 0.00 0.00 31.00 32.13 3mhh h PRO 159 CO 0.64 0.38 -0.39 1.88 0.10 0.00 0.00 178.00 180.62 3mhh h TYR 160 N 0.60 0.76 -0.09 0.65 0.05 -1.93 -0.28 116.97 116.72 3mhh h TYR 160 Ca 0.62 -0.28 -0.19 0.00 0.05 0.00 0.00 58.73 58.94 3mhh h TYR 160 Cb 1.19 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 38.79 3mhh h TYR 160 CO -0.01 1.03 -0.73 0.35 -1.05 0.00 0.00 178.16 177.76 3mhh h PHE 161 N 0.27 0.63 -0.52 4.88 3.57 -1.54 -1.42 116.94 122.82 3mhh h PHE 161 Ca 0.01 -0.28 -0.06 0.00 3.53 0.00 0.00 57.97 61.17 3mhh h PHE 161 Cb 0.99 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 3mhh h PHE 161 CO 0.09 1.04 0.09 0.97 -2.23 0.00 0.00 178.31 178.27 3mhh h ILE 162 N 0.32 1.25 -0.70 1.41 6.09 -0.83 -0.83 117.51 124.22 3mhh h ILE 162 Ca -0.03 -0.94 -0.02 0.00 -1.37 0.00 0.00 64.86 62.50 3mhh h ILE 162 Cb 1.31 0.85 -0.03 0.00 0.47 0.00 0.00 36.82 39.42 3mhh h ILE 162 CO 0.13 0.34 0.37 -0.09 -3.07 0.00 0.00 178.15 175.83 3mhh h ARG 163 N 0.74 0.98 -0.68 2.19 2.43 -0.92 -1.58 114.38 117.54 3mhh h ARG 163 Ca 0.16 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3mhh h ARG 163 Cb 0.40 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3mhh h ARG 163 CO 0.01 0.75 0.39 1.25 -1.51 0.00 0.00 179.97 180.86 3mhh h HIS 164 N 0.96 0.92 -0.03 2.20 2.76 -0.80 -0.84 115.15 120.31 3mhh h HIS 164 Ca 0.24 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 3mhh h HIS 164 Cb 0.06 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.73 3mhh h HIS 164 CO -0.00 0.64 -0.07 1.03 -1.30 0.00 0.00 177.93 178.22 3mhh h SER 165 N 0.93 0.12 0.50 3.26 0.87 -0.96 -3.13 113.55 115.14 3mhh h SER 165 Ca 0.24 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3mhh h SER 165 Cb 0.01 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3mhh h SER 165 CO -0.04 0.68 0.00 0.24 -0.53 0.00 0.00 176.83 177.18 3mhh h MET 166 N -0.44 0.00 -0.00 2.24 2.07 -1.23 -1.79 114.93 115.78 3mhh h MET 166 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3mhh h MET 166 Cb 0.66 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.39 3mhh h MET 166 CO 0.02 0.00 -0.10 0.43 1.07 0.00 0.00 176.91 178.33 3mhh n SER 167 N -2.82 0.19 -0.15 1.22 7.64 -0.33 -4.93 113.62 114.45 3mhh n SER 167 Ca -0.01 -0.05 -0.02 0.00 1.01 0.00 0.00 58.87 59.81 3mhh n SER 167 Cb 0.18 -0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 63.14 3mhh n SER 167 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mhh n GLN 168 N -1.30 -0.68 0.02 1.43 1.13 -0.67 -4.92 117.38 112.37 3mhh n GLN 168 Ca 0.11 0.34 -0.12 0.00 -1.94 0.00 0.00 57.00 55.38 3mhh n GLN 168 Cb 0.30 -3.96 -0.08 0.00 0.11 0.00 0.00 30.24 26.61 3mhh n GLN 168 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3mhh h ILE 169 N 0.00 0.00 -0.54 5.09 1.08 -1.80 0.34 117.51 121.67 3mhh h ILE 169 Ca -0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 3mhh h ILE 169 Cb 0.40 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 3mhh h ILE 169 CO 0.06 0.00 0.31 -0.74 -0.69 0.00 0.00 178.15 177.09 3mhh h HIS 170 N -0.50 0.73 -0.22 1.37 2.76 -1.91 -2.77 115.15 114.61 3mhh h HIS 170 Ca 0.02 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 3mhh h HIS 170 Cb 0.56 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 3mhh h HIS 170 CO -0.53 0.52 0.11 1.03 -1.30 0.00 0.00 177.93 177.76 3mhh h SER 171 N 0.72 0.26 1.63 3.26 0.87 -1.80 -0.51 113.55 117.99 3mhh h SER 171 Ca 0.19 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3mhh h SER 171 Cb 0.02 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 3mhh h SER 171 CO -0.03 0.22 0.00 0.78 -0.53 0.00 0.00 176.83 177.27 3mhh h ASN 172 N 0.30 0.00 0.00 6.23 -0.26 -0.65 -3.33 115.58 117.87 3mhh h ASN 172 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 3mhh h ASN 172 Cb 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 3mhh h ASN 172 CO -0.01 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 176.95 3mhh n ASN 173 N -3.09 0.68 -4.77 5.81 3.02 -0.94 -5.07 115.26 110.91 3mhh n ASN 173 Ca 0.03 -0.87 -0.39 0.00 -0.03 0.00 0.00 54.58 53.32 3mhh n ASN 173 Cb 0.44 0.20 -0.00 0.00 -0.61 0.00 0.00 39.78 39.81 3mhh n ASN 173 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mhh n LYS 175 N -0.09 1.32 -0.10 0.00 5.02 -1.26 -4.56 118.16 118.49 3mhh n LYS 175 Ca 0.05 -1.51 -0.19 0.00 -2.02 0.00 0.00 58.31 54.64 3mhh n LYS 175 Cb 0.45 -1.29 -0.08 0.00 -0.02 0.00 0.00 35.03 34.09 3mhh n LYS 175 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3mhh n VAL 176 N 0.83 1.11 -2.56 -0.18 0.31 -1.26 -5.02 118.33 111.55 3mhh n VAL 176 Ca 0.10 -0.33 -0.20 0.00 -0.01 0.00 0.00 64.34 63.90 3mhh n VAL 176 Cb 0.39 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 3mhh n VAL 176 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3mhh n ARG 177 N -3.63 -2.54 -3.74 5.55 5.12 -1.26 -4.98 116.66 111.18 3mhh n ARG 177 Ca -0.38 0.93 -0.23 0.00 -1.93 0.00 0.00 57.85 56.24 3mhh n ARG 177 Cb 0.81 -5.58 -0.18 0.00 -1.16 0.00 0.00 32.46 26.35 3mhh n ARG 177 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3mhh s SER 178 N -2.30 1.57 0.55 0.55 0.15 -1.26 -5.02 113.70 107.94 3mhh s SER 178 Ca 0.09 -0.10 0.33 0.00 0.70 0.00 0.00 55.95 56.97 3mhh s SER 178 Cb -0.04 -0.37 1.31 0.00 -1.71 0.00 0.00 66.02 65.21 3mhh s SER 178 CO 0.11 -0.22 1.96 1.55 1.20 0.00 0.00 173.24 177.85 3mhh h PRO 179 N 8.35 0.00 -0.01 5.44 0.13 -1.86 0.20 132.00 144.25 3mhh h PRO 179 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3mhh h PRO 179 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3mhh h PRO 179 CO 0.24 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.61 3mhh n ASP 180 N -3.09 0.32 0.00 1.44 5.75 -1.26 -4.18 116.55 115.52 3mhh n ASP 180 Ca 0.01 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 3mhh n ASP 180 Cb 0.32 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 3mhh n ASP 180 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3mhh n LYS 181 N -0.72 1.37 -3.79 0.11 4.01 -0.83 -4.05 118.16 114.26 3mhh n LYS 181 Ca 0.21 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.65 3mhh n LYS 181 Cb 0.15 -0.67 -0.13 0.00 -0.51 0.00 0.00 35.03 33.87 3mhh n LYS 181 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3mhh h PHE 183 N 8.14 -0.42 -0.94 0.00 0.04 -1.86 -0.76 116.94 121.12 3mhh h PHE 183 Ca -0.38 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.47 3mhh h PHE 183 Cb 1.17 0.22 -0.06 0.00 2.20 0.00 0.00 35.95 39.48 3mhh h PHE 183 CO 0.66 -0.24 0.61 0.77 -0.60 0.00 0.00 178.31 179.50 3mhh h SER 184 N -0.18 0.98 -0.89 2.17 0.02 -1.94 0.26 113.55 113.97 3mhh h SER 184 Ca 0.12 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3mhh h SER 184 Cb 0.35 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 3mhh h SER 184 CO -0.30 0.64 0.47 0.00 -1.14 0.00 0.00 176.83 176.50 3mhh h ALA 186 N 1.26 0.50 -0.64 0.00 0.00 0.89 -1.60 119.26 119.67 3mhh h ALA 186 Ca 0.31 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3mhh h ALA 186 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3mhh h ALA 186 CO -0.05 0.05 0.16 -0.07 0.00 0.00 0.00 179.25 179.35 3mhh h LEU 187 N 0.49 0.94 -1.26 0.00 3.38 -0.62 -1.95 115.31 116.28 3mhh h LEU 187 Ca 0.13 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3mhh h LEU 187 Cb 0.11 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3mhh h LEU 187 CO -0.02 0.90 0.51 0.44 0.09 0.00 0.00 178.44 180.37 3mhh h ASP 188 N 0.95 0.85 -0.01 -0.43 3.32 -0.60 -2.23 116.42 118.27 3mhh h ASP 188 Ca 0.20 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.09 3mhh h ASP 188 Cb 0.33 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3mhh h ASP 188 CO -0.00 0.60 -0.48 0.50 -1.72 0.00 0.00 179.24 178.14 3mhh h LYS 189 N 0.99 0.57 -0.56 3.56 3.64 -0.57 -0.82 116.57 123.38 3mhh h LYS 189 Ca 0.30 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3mhh h LYS 189 Cb -0.03 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3mhh h LYS 189 CO -0.08 0.92 0.29 0.82 -2.27 0.00 0.00 179.45 179.13 3mhh h ILE 190 N 0.45 1.20 -0.77 2.00 2.04 -0.96 0.30 117.51 121.77 3mhh h ILE 190 Ca 0.02 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 3mhh h ILE 190 Cb 1.00 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3mhh h ILE 190 CO 0.09 0.22 0.34 0.58 0.00 0.00 0.00 178.15 179.38 3mhh h VAL 191 N 0.76 1.25 -0.25 1.67 2.07 -1.10 -0.04 116.25 120.61 3mhh h VAL 191 Ca 0.20 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3mhh h VAL 191 Cb 0.09 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3mhh h VAL 191 CO -0.03 0.31 0.13 -0.74 0.02 0.00 0.00 177.57 177.26 3mhh h HIS 192 N 1.10 0.24 -0.31 1.57 -0.00 -0.73 -0.58 115.15 116.44 3mhh h HIS 192 Ca 0.26 0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.54 3mhh h HIS 192 Cb 0.17 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 3mhh h HIS 192 CO 0.01 0.14 -0.23 0.93 -0.00 0.00 0.00 177.93 178.79 3mhh h GLU 193 N 0.27 0.59 0.01 5.26 5.08 -0.29 0.64 114.58 126.14 3mhh h GLU 193 Ca 0.10 -0.22 -0.25 0.00 -1.00 0.00 0.00 59.36 57.99 3mhh h GLU 193 Cb 0.02 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3mhh h GLU 193 CO -0.07 0.77 -1.32 -0.07 -1.00 0.00 0.00 179.01 177.33 3mhh h LEU 194 N 0.52 0.03 0.00 1.33 4.07 -0.80 -3.39 115.31 117.07 3mhh h LEU 194 Ca 0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 3mhh h LEU 194 Cb 0.67 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 3mhh h LEU 194 CO 0.05 1.03 -1.44 -1.22 -1.08 0.00 0.00 178.44 175.79 3mhh n TYR 195 N -3.24 0.00 0.00 1.13 4.01 -0.25 -3.96 117.16 114.86 3mhh n TYR 195 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3mhh n TYR 195 Cb 0.99 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.77 3mhh n TYR 195 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mhh n GLY 196 N 2.12 5.00 2.77 2.72 0.00 0.21 -4.64 105.19 113.37 3mhh n GLY 196 Ca -0.04 -1.35 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 3mhh n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhh s ALA 197 N -2.00 0.44 -0.06 4.61 0.00 -1.22 -4.75 121.76 118.78 3mhh s ALA 197 Ca 0.00 0.06 0.14 0.00 0.00 0.00 0.00 51.96 52.16 3mhh s ALA 197 Cb 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 23.12 22.39 3mhh s ALA 197 CO 0.00 -0.29 0.75 1.25 0.00 0.00 0.00 175.76 177.47 3mhh h LEU 198 N 7.86 0.00 0.00 0.00 5.85 -1.88 -3.48 115.31 123.66 3mhh h LEU 198 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3mhh h LEU 198 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3mhh h LEU 198 CO 0.33 0.88 0.00 -3.20 -0.34 0.00 0.00 178.44 176.11 3mhh n ASN 199 N -3.02 1.80 -0.92 1.25 2.85 -1.26 -5.11 115.26 110.85 3mhh n ASN 199 Ca -0.14 -1.00 0.11 0.00 -0.11 0.00 0.00 54.58 53.45 3mhh n ASN 199 Cb 0.98 0.00 0.11 0.00 1.24 0.00 0.00 39.78 42.11 3mhh n ASN 199 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 3mhh n THR 200 N 0.00 0.08 0.00 -0.44 5.66 -1.26 -5.25 114.28 113.06 3mhh n THR 200 Ca 0.00 -0.54 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 3mhh n THR 200 Cb 0.00 1.39 0.00 0.00 -1.55 0.00 0.00 70.33 70.17 3mhh n THR 200 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3mhh n THR 208 N 1.27 0.00 1.02 1.09 -2.24 -1.26 -5.23 114.28 108.94 3mhh n THR 208 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3mhh n THR 208 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3mhh n THR 208 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3mhh n SER 209 N 0.00 0.25 -4.79 3.42 7.64 -1.26 -5.07 113.62 113.81 3mhh n SER 209 Ca 0.00 -1.27 -0.38 0.00 1.01 0.00 0.00 58.87 58.23 3mhh n SER 209 Cb 0.00 -0.13 -0.06 0.00 -1.01 0.00 0.00 64.21 63.01 3mhh n SER 209 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3mhh s THR 210 N -1.60 4.36 -0.03 0.44 -4.23 -1.26 -5.08 115.64 108.24 3mhh s THR 210 Ca 0.00 1.63 -0.05 0.00 -1.18 0.00 0.00 61.69 62.09 3mhh s THR 210 Cb 0.00 -4.02 0.01 0.00 1.34 0.00 0.00 72.50 69.82 3mhh s THR 210 CO 0.00 0.30 0.12 0.20 -0.54 0.00 0.00 174.62 174.71 3mhh s ASN 211 N -1.46 -0.07 -1.29 3.99 0.01 -1.26 -4.94 114.94 109.92 3mhh s ASN 211 Ca 0.43 0.10 -0.06 0.00 -0.71 0.00 0.00 52.86 52.61 3mhh s ASN 211 Cb -0.20 0.25 0.01 0.00 0.41 0.00 0.00 41.25 41.71 3mhh s ASN 211 CO 0.24 -0.15 1.12 0.54 -1.51 0.00 0.00 177.10 177.34 3mhh n ARG 212 N 2.51 -7.50 0.00 -0.60 1.74 -1.26 -4.90 116.66 106.65 3mhh n ARG 212 Ca -0.16 0.82 0.04 0.00 -0.77 0.00 0.00 57.85 57.79 3mhh n ARG 212 Cb 0.58 -5.84 0.02 0.00 -1.02 0.00 0.00 32.46 26.20 3mhh n ARG 212 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3mhh n GLN 213 N -4.70 1.26 -0.06 5.56 1.13 -1.26 -4.78 117.38 114.53 3mhh n GLN 213 Ca -0.08 -0.74 -0.10 0.00 -1.94 0.00 0.00 57.00 54.15 3mhh n GLN 213 Cb 0.59 -1.08 -0.03 0.00 0.11 0.00 0.00 30.24 29.84 3mhh n GLN 213 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3mhh h THR 214 N 1.21 1.07 -0.46 5.09 2.02 -1.97 -0.22 112.91 119.65 3mhh h THR 214 Ca 0.00 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.04 3mhh h THR 214 Cb 0.30 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3mhh h THR 214 CO 0.00 0.07 0.30 1.23 0.37 0.00 0.00 175.52 177.49 3mhh h GLY 215 N 0.32 0.65 1.08 2.16 0.00 -1.86 0.27 103.07 105.68 3mhh h GLY 215 Ca 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3mhh h GLY 215 CO -0.02 0.22 0.53 -2.75 0.00 0.00 0.00 176.54 174.53 3mhh h PHE 216 N 0.61 1.18 -0.60 5.60 3.57 -1.75 -0.04 116.94 125.51 3mhh h PHE 216 Ca 0.17 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 3mhh h PHE 216 Cb -0.05 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.28 3mhh h PHE 216 CO -0.05 0.79 0.08 0.82 -2.23 0.00 0.00 178.31 177.72 3mhh h ILE 217 N 1.24 1.26 -0.61 1.41 2.04 -0.56 -1.57 117.51 120.72 3mhh h ILE 217 Ca 0.32 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.16 3mhh h ILE 217 Cb -0.04 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3mhh h ILE 217 CO -0.06 0.38 0.41 1.88 0.00 0.00 0.00 178.15 180.75 3mhh h TYR 218 N 0.90 0.76 -0.18 1.37 0.05 -0.05 -1.47 116.97 118.36 3mhh h TYR 218 Ca 0.18 0.02 -0.19 0.00 0.05 0.00 0.00 58.73 58.79 3mhh h TYR 218 Cb 0.45 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 3mhh h TYR 218 CO 0.03 0.47 -0.64 1.25 -1.05 0.00 0.00 178.16 178.22 3mhh h LEU 219 N 0.81 0.73 -0.61 3.88 6.46 -0.49 0.15 115.31 126.25 3mhh h LEU 219 Ca 0.23 -0.43 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 3mhh h LEU 219 Cb -0.07 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.62 3mhh h LEU 219 CO -0.05 1.19 0.28 -0.07 -0.62 0.00 0.00 178.44 179.17 3mhh h LEU 220 N 0.47 0.80 -0.67 2.25 3.38 -0.92 0.10 115.31 120.72 3mhh h LEU 220 Ca -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3mhh h LEU 220 Cb 1.22 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 3mhh h LEU 220 CO 0.13 0.71 0.38 0.74 0.09 0.00 0.00 178.44 180.49 3mhh h THR 221 N 0.83 1.20 -0.35 0.22 2.02 -0.92 -0.05 112.91 115.87 3mhh h THR 221 Ca 0.21 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3mhh h THR 221 Cb 0.13 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3mhh h THR 221 CO -0.02 0.22 0.23 0.00 0.37 0.00 0.00 175.52 176.32 3mhh h ALA 223 N 1.13 0.51 -0.59 0.00 0.00 -0.11 -2.12 119.26 118.07 3mhh h ALA 223 Ca 0.13 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3mhh h ALA 223 Cb -0.05 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3mhh h ALA 223 CO -0.03 -0.28 0.20 2.35 0.00 0.00 0.00 179.25 181.49 3mhh h TRP 224 N 0.27 0.89 -0.23 0.00 7.01 -0.83 0.63 115.95 123.69 3mhh h TRP 224 Ca 0.21 -0.06 -0.04 0.00 2.11 0.00 0.00 58.89 61.11 3mhh h TRP 224 Cb 0.25 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 3mhh h TRP 224 CO -0.19 0.71 -0.03 0.87 -2.79 0.00 0.00 178.44 177.01 3mhh h LYS 225 N 0.86 0.34 0.00 2.65 1.57 -0.97 -2.80 116.57 118.21 3mhh h LYS 225 Ca 0.20 -0.06 -0.23 0.00 -1.87 0.00 0.00 60.65 58.68 3mhh h LYS 225 Cb 0.22 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3mhh h LYS 225 CO -0.01 0.40 -1.76 -0.89 -0.57 0.00 0.00 179.45 176.61 3mhh n ILE 226 N -4.32 1.23 -0.04 1.86 2.08 -0.97 -5.13 119.36 114.06 3mhh n ILE 226 Ca 0.00 -0.74 0.00 0.00 0.56 0.00 0.00 62.75 62.57 3mhh n ILE 226 Cb 0.22 -0.68 0.00 0.00 -0.75 0.00 0.00 39.64 38.43 3mhh n ILE 226 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3mhh n ASN 227 N -2.84 -1.21 0.00 4.38 5.03 0.21 -5.11 115.26 115.73 3mhh n ASN 227 Ca -0.16 0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.32 3mhh n ASN 227 Cb 0.94 0.84 0.00 0.00 -1.02 0.00 0.00 39.78 40.54 3mhh n ASN 227 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3mhh n SER 234 N -1.00 0.00 0.06 6.41 2.88 -1.26 -4.74 113.62 115.97 3mhh n SER 234 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 3mhh n SER 234 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.42 3mhh n SER 234 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3mhh h GLN 235 N 0.00 0.43 -5.25 -1.46 5.75 -1.98 -3.48 115.11 109.13 3mhh h GLN 235 Ca 0.00 -0.45 -0.31 0.00 -0.15 0.00 0.00 58.65 57.74 3mhh h GLN 235 Cb 0.00 0.13 0.14 0.00 1.07 0.00 0.00 27.48 28.82 3mhh h GLN 235 CO 0.00 1.11 -0.66 1.04 -2.65 0.00 0.00 178.83 177.68 3mhh n GLN 236 N -3.76 -6.23 -3.56 1.69 6.02 -1.26 -4.72 117.38 105.56 3mhh n GLN 236 Ca -0.07 0.75 -0.39 0.00 -0.01 0.00 0.00 57.00 57.28 3mhh n GLN 236 Cb 0.83 -5.48 -0.11 0.00 1.02 0.00 0.00 30.24 26.50 3mhh n GLN 236 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3mhh s ASP 237 N -3.92 6.02 0.42 1.08 3.68 -1.26 -4.87 116.67 117.83 3mhh s ASP 237 Ca 0.16 -0.26 0.08 0.00 2.13 0.00 0.00 52.55 54.66 3mhh s ASP 237 Cb -0.07 -2.13 0.91 0.00 -1.45 0.00 0.00 42.92 40.19 3mhh s ASP 237 CO 0.65 -0.16 2.07 0.00 0.13 0.00 0.00 175.17 177.85 3mhh h ALA 238 N 8.44 1.75 -0.48 3.66 0.00 -1.95 -2.12 119.26 128.56 3mhh h ALA 238 Ca -0.33 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3mhh h ALA 238 Cb 1.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3mhh h ALA 238 CO 0.60 0.23 0.04 1.25 0.00 0.00 0.00 179.25 181.37 3mhh h HIS 239 N 0.48 0.89 -0.31 0.00 6.17 -1.93 -1.02 115.15 119.44 3mhh h HIS 239 Ca 0.13 -0.14 -0.02 0.00 0.71 0.00 0.00 60.37 61.05 3mhh h HIS 239 Cb -0.04 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 29.63 3mhh h HIS 239 CO -0.00 0.83 0.11 0.93 0.71 0.00 0.00 177.93 180.51 3mhh h GLU 240 N 0.69 0.43 0.00 5.26 5.08 -1.80 -1.61 114.58 122.63 3mhh h GLU 240 Ca 0.14 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 3mhh h GLU 240 Cb 0.45 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3mhh h GLU 240 CO 0.02 0.38 -0.85 0.35 -1.00 0.00 0.00 179.01 177.91 3mhh h PHE 241 N 0.43 0.09 -0.16 4.33 3.57 -1.02 -0.19 116.94 124.00 3mhh h PHE 241 Ca 0.11 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.60 3mhh h PHE 241 Cb 0.12 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 3mhh h PHE 241 CO 0.00 0.88 -0.12 2.35 -2.23 0.00 0.00 178.31 179.19 3mhh h TRP 242 N 0.03 -0.30 -0.55 0.41 2.91 -0.58 -0.19 115.95 117.68 3mhh h TRP 242 Ca -0.02 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.94 3mhh h TRP 242 Cb 1.48 0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 30.27 3mhh h TRP 242 CO 0.01 -0.18 0.03 1.96 -1.03 0.00 0.00 178.44 179.22 3mhh h GLN 243 N -0.13 0.92 -0.15 2.65 4.20 -1.16 -1.82 115.11 119.62 3mhh h GLN 243 Ca 0.10 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 3mhh h GLN 243 Cb 0.27 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3mhh h GLN 243 CO -0.24 0.90 0.09 0.35 -0.67 0.00 0.00 178.83 179.26 3mhh h PHE 244 N 0.86 0.20 -0.06 2.96 3.57 -0.63 -2.20 116.94 121.64 3mhh h PHE 244 Ca 0.16 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.47 3mhh h PHE 244 Cb 0.47 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 3mhh h PHE 244 CO 0.03 0.19 -0.78 0.97 -2.23 0.00 0.00 178.31 176.49 3mhh h ILE 245 N 0.16 1.39 -0.17 1.41 6.09 -0.83 -2.16 117.51 123.40 3mhh h ILE 245 Ca 0.05 -2.22 -0.13 0.00 -1.37 0.00 0.00 64.86 61.19 3mhh h ILE 245 Cb 0.05 2.18 -0.01 0.00 0.47 0.00 0.00 36.82 39.51 3mhh h ILE 245 CO -0.01 0.67 -0.47 0.16 -3.07 0.00 0.00 178.15 175.42 3mhh h ILE 246 N 0.26 1.32 -0.99 2.19 3.07 -1.32 -2.19 117.51 119.85 3mhh h ILE 246 Ca -0.04 -1.68 0.01 0.00 1.55 0.00 0.00 64.86 64.70 3mhh h ILE 246 Cb 1.36 1.71 -0.05 0.00 -0.27 0.00 0.00 36.82 39.57 3mhh h ILE 246 CO 0.13 0.51 0.65 -1.13 -1.05 0.00 0.00 178.15 177.27 3mhh h ASN 247 N 0.35 1.13 -0.04 2.16 -1.24 -1.21 -2.36 115.58 114.37 3mhh h ASN 247 Ca 0.02 -0.03 -0.11 0.00 0.71 0.00 0.00 56.30 56.89 3mhh h ASN 247 Cb 0.96 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 3mhh h ASN 247 CO 0.08 0.82 -0.32 1.56 -1.29 0.00 0.00 177.43 178.29 3mhh h GLN 248 N 1.34 0.51 -0.60 6.67 1.08 -0.83 -0.20 115.11 123.09 3mhh h GLN 248 Ca 0.36 -0.22 -0.07 0.00 -1.45 0.00 0.00 58.65 57.27 3mhh h GLN 248 Cb -0.15 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 3mhh h GLN 248 CO -0.08 0.77 0.11 0.82 -0.95 0.00 0.00 178.83 179.51 3mhh h ILE 249 N 0.44 1.26 -0.08 2.54 2.04 -1.18 -1.72 117.51 120.80 3mhh h ILE 249 Ca 0.05 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 3mhh h ILE 249 Cb 0.77 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3mhh h ILE 249 CO 0.06 0.36 -0.00 -0.74 0.00 0.00 0.00 178.15 177.83 3mhh h HIS 250 N 0.88 0.16 -0.75 1.37 -0.00 -1.06 -1.96 115.15 113.79 3mhh h HIS 250 Ca 0.18 -0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.56 3mhh h HIS 250 Cb 0.40 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.72 3mhh h HIS 250 CO 0.03 0.42 0.49 1.96 -0.00 0.00 0.00 177.93 180.83 3mhh h GLN 251 N -0.14 0.89 -0.39 5.26 1.08 -0.94 -0.71 115.11 120.16 3mhh h GLN 251 Ca 0.02 -0.05 -0.14 0.00 -1.45 0.00 0.00 58.65 57.03 3mhh h GLN 251 Cb 0.35 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3mhh h GLN 251 CO 0.00 0.59 -0.31 1.03 -0.95 0.00 0.00 178.83 179.19 3mhh h SER 252 N 0.91 0.89 -0.19 1.46 0.87 -1.22 0.57 113.55 116.83 3mhh h SER 252 Ca 0.30 -0.37 0.04 0.00 -1.23 0.00 0.00 61.79 60.53 3mhh h SER 252 Cb 0.05 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 3mhh h SER 252 CO -0.09 1.12 -0.06 0.22 -0.53 0.00 0.00 176.83 177.50 3mhh h TYR 253 N 0.72 -0.12 -0.34 2.24 3.20 -0.41 -1.95 116.97 120.31 3mhh h TYR 253 Ca 0.08 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 3mhh h TYR 253 Cb 0.86 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 3mhh h TYR 253 CO 0.05 -0.09 -0.07 0.28 -1.64 0.00 0.00 178.16 176.69 3mhh h VAL 254 N -0.01 1.22 -0.19 1.81 2.07 -0.91 -2.54 116.25 117.70 3mhh h VAL 254 Ca 0.10 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 3mhh h VAL 254 Cb 0.16 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3mhh h VAL 254 CO -0.21 0.32 -0.25 0.25 0.02 0.00 0.00 177.57 177.70 3mhh h LEU 255 N 0.53 0.35 -0.31 2.57 5.85 -0.62 -3.04 115.31 120.64 3mhh h LEU 255 Ca 0.10 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3mhh h LEU 255 Cb 0.44 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3mhh h LEU 255 CO 0.02 0.61 -0.18 0.47 -0.34 0.00 0.00 178.44 179.02 3mhh n ASP 256 N -4.14 0.66 -4.78 1.25 8.00 -0.76 -4.85 116.55 111.94 3mhh n ASP 256 Ca -0.01 -0.65 -0.37 0.00 0.71 0.00 0.00 54.79 54.48 3mhh n ASP 256 Cb 0.38 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 3mhh n ASP 256 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3mhh s LEU 257 N -2.52 4.22 0.33 0.64 1.43 -1.10 -4.96 118.68 116.71 3mhh s LEU 257 Ca 0.26 2.06 0.26 0.00 -1.03 0.00 0.00 54.13 55.68 3mhh s LEU 257 Cb 0.20 -4.08 0.79 0.00 0.03 0.00 0.00 46.19 43.12 3mhh s LEU 257 CO 0.50 -0.40 1.75 1.55 0.23 0.00 0.00 176.35 179.98 3mhh h PRO 258 N 2.76 0.00 -0.66 1.29 0.13 -1.89 -3.39 132.00 130.24 3mhh h PRO 258 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 3mhh h PRO 258 Cb 1.21 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.03 3mhh h PRO 258 CO 0.63 0.00 -0.90 0.27 -0.23 0.00 0.00 178.00 177.77 3mhh n ASN 259 N -2.60 0.23 -0.22 1.44 6.94 -1.26 -4.97 115.26 114.82 3mhh n ASN 259 Ca 0.04 -2.64 -0.02 0.00 -0.02 0.00 0.00 54.58 51.94 3mhh n ASN 259 Cb 0.40 0.03 0.09 0.00 -2.36 0.00 0.00 39.78 37.94 3mhh n ASN 259 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mhh h ALA 260 N 2.65 0.84 0.16 -2.53 0.00 -1.84 -2.43 119.26 116.12 3mhh h ALA 260 Ca -0.16 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3mhh h ALA 260 Cb 1.22 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3mhh h ALA 260 CO 0.30 0.01 -0.46 0.87 0.00 0.00 0.00 179.25 179.97 3mhh h LYS 261 N 0.64 -0.67 0.00 0.00 6.56 -1.95 -2.65 116.57 118.50 3mhh h LYS 261 Ca 0.28 0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.86 3mhh h LYS 261 Cb 0.18 0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.99 3mhh h LYS 261 CO -0.18 -0.44 -0.27 1.05 -2.06 0.00 0.00 179.45 177.54 3mhh h GLU 262 N -0.69 0.00 -0.07 3.15 9.09 -1.95 -1.41 114.58 122.70 3mhh h GLU 262 Ca -0.01 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.31 3mhh h GLU 262 Cb 0.67 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.76 3mhh h GLU 262 CO -0.22 0.27 -0.35 -0.24 0.05 0.00 0.00 179.01 178.53 3mhh h VAL 263 N 0.00 1.27 0.62 -1.06 3.04 -1.30 -0.63 116.25 118.19 3mhh h VAL 263 Ca -0.00 -1.29 -0.03 0.00 -1.01 0.00 0.00 66.70 64.36 3mhh h VAL 263 Cb 0.83 1.61 0.01 0.00 -2.01 0.00 0.00 31.29 31.72 3mhh h VAL 263 CO 0.04 0.38 -0.30 -1.28 -1.01 0.00 0.00 177.57 175.40 3mhh h SER 264 N 0.12 -0.70 0.72 3.17 0.87 -0.89 -2.64 113.55 114.20 3mhh h SER 264 Ca 0.01 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3mhh h SER 264 Cb 0.67 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 3mhh h SER 264 CO 0.05 -0.34 0.00 0.08 -0.53 0.00 0.00 176.83 176.09 3mhh h ARG 265 N -1.11 0.00 0.37 2.24 0.11 -1.61 -3.21 114.38 111.18 3mhh h ARG 265 Ca -0.08 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.98 3mhh h ARG 265 Cb 0.68 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.76 3mhh h ARG 265 CO 0.14 0.00 -0.23 0.00 0.10 0.00 0.00 179.97 179.98 3mhh h ALA 266 N 2.16 -1.08 -3.47 0.08 0.00 -0.76 -3.38 119.26 112.81 3mhh h ALA 266 Ca 0.00 -0.12 -0.65 0.00 0.00 0.00 0.00 54.91 54.15 3mhh h ALA 266 Cb 0.36 0.33 -0.41 0.00 0.00 0.00 0.00 17.79 18.07 3mhh h ALA 266 CO 0.00 -1.06 -0.66 1.21 0.00 0.00 0.00 179.25 178.75 3mhh s ASN 267 N -3.02 4.46 -0.07 0.00 3.84 -1.05 -5.05 114.94 114.05 3mhh s ASN 267 Ca -0.09 -2.75 -0.06 0.00 0.21 0.00 0.00 52.86 50.17 3mhh s ASN 267 Cb 0.01 -1.64 -0.03 0.00 -0.55 0.00 0.00 41.25 39.05 3mhh s ASN 267 CO 0.27 -0.28 0.26 -0.46 -2.79 0.00 0.00 177.10 174.10 3mhh n ASN 268 N 3.46 0.14 -4.11 -4.21 0.23 -1.22 -0.76 115.26 108.79 3mhh n ASN 268 Ca 0.05 0.13 -0.33 0.00 -0.53 0.00 0.00 54.58 53.90 3mhh n ASN 268 Cb 0.35 -0.12 -0.06 0.00 -2.08 0.00 0.00 39.78 37.87 3mhh n ASN 268 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3mhh n LYS 269 N 0.81 -0.73 -4.89 -3.83 5.02 -1.22 -4.93 118.16 108.39 3mhh n LYS 269 Ca 0.06 0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 56.15 3mhh n LYS 269 Cb -0.01 -2.86 -0.15 0.00 -0.02 0.00 0.00 35.03 31.99 3mhh n LYS 269 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3mhh s GLN 270 N -7.04 1.50 -0.02 1.97 0.74 0.06 -5.14 119.66 111.73 3mhh s GLN 270 Ca 0.14 -0.68 0.02 0.00 0.05 0.00 0.00 55.36 54.89 3mhh s GLN 270 Cb -0.08 -1.46 0.00 0.00 1.10 0.00 0.00 33.01 32.57 3mhh s GLN 270 CO 0.89 0.40 -0.08 0.00 -0.55 0.00 0.00 175.29 175.95 3mhh n GLU 272 N 3.22 2.39 -1.22 0.00 -0.58 -1.26 -4.39 120.64 118.80 3mhh n GLU 272 Ca -0.17 -2.12 -0.30 0.00 -0.42 0.00 0.00 57.16 54.14 3mhh n GLU 272 Cb 0.55 -1.49 0.13 0.00 -0.57 0.00 0.00 31.44 30.06 3mhh n GLU 272 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mhh h ILE 274 N -1.44 1.07 -0.08 0.00 6.09 -1.93 -0.77 117.51 120.45 3mhh h ILE 274 Ca -0.48 -0.36 -0.01 0.00 -1.37 0.00 0.00 64.86 62.65 3mhh h ILE 274 Cb 1.27 -0.06 -0.00 0.00 0.47 0.00 0.00 36.82 38.50 3mhh h ILE 274 CO 0.54 0.19 0.03 0.58 -3.07 0.00 0.00 178.15 176.41 3mhh h VAL 275 N 1.04 1.16 -0.00 2.19 2.07 -1.91 -2.53 116.25 118.26 3mhh h VAL 275 Ca 0.38 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3mhh h VAL 275 Cb 0.14 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3mhh h VAL 275 CO -0.16 0.14 -0.08 1.41 0.02 0.00 0.00 177.57 178.90 3mhh n HIS 276 N -4.92 0.00 0.96 1.57 8.25 -0.99 -0.98 115.22 119.12 3mhh n HIS 276 Ca -0.06 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.50 3mhh n HIS 276 Cb 0.13 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 30.83 3mhh n HIS 276 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3mhh n THR 277 N -1.39 0.00 -0.01 1.59 -2.24 -0.33 -4.42 114.28 107.48 3mhh n THR 277 Ca 0.09 -0.23 -0.02 0.00 -2.27 0.00 0.00 64.05 61.63 3mhh n THR 277 Cb 0.31 1.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 3mhh n THR 277 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3mhh n VAL 278 N -0.28 0.13 0.60 2.28 0.31 -0.96 -4.71 118.33 115.69 3mhh n VAL 278 Ca 0.08 -0.04 0.09 0.00 -0.01 0.00 0.00 64.34 64.45 3mhh n VAL 278 Cb 0.43 -1.01 -0.11 0.00 -0.91 0.00 0.00 33.84 32.24 3mhh n VAL 278 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3mhh n PHE 279 N -2.81 0.00 -3.37 3.52 3.72 -0.15 -0.64 117.46 117.73 3mhh n PHE 279 Ca -0.04 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.97 3mhh n PHE 279 Cb 0.54 -0.12 -0.06 0.00 -0.94 0.00 0.00 39.48 38.90 3mhh n PHE 279 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3mhh s GLU 280 N -2.86 4.10 0.00 -1.08 2.12 -1.23 -4.51 118.70 115.23 3mhh s GLU 280 Ca 0.03 0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.94 3mhh s GLU 280 Cb 0.13 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.27 3mhh s GLU 280 CO 0.74 0.62 0.00 0.41 -0.54 0.00 0.00 175.26 176.49 3mhh n GLY 281 N 1.90 4.75 2.93 -1.50 0.00 -0.44 -3.91 105.19 108.92 3mhh n GLY 281 Ca -0.11 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 3mhh n GLY 281 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mhh s SER 282 N -0.33 0.20 -0.09 1.61 1.04 0.51 -0.27 113.70 116.37 3mhh s SER 282 Ca 0.00 -0.23 -0.08 0.00 0.48 0.00 0.00 55.95 56.12 3mhh s SER 282 Cb 0.00 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 3mhh s SER 282 CO 0.00 -0.12 0.19 -0.76 0.98 0.00 0.00 173.24 173.54 3mhh s LEU 283 N -0.65 4.40 -0.28 2.42 1.43 0.15 -0.23 118.68 125.93 3mhh s LEU 283 Ca -0.06 0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 53.49 3mhh s LEU 283 Cb -0.04 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 3mhh s LEU 283 CO -0.00 0.38 0.14 -0.70 0.23 0.00 0.00 176.35 176.40 3mhh s GLU 284 N -1.14 3.72 -0.39 1.70 2.12 0.20 -1.61 118.70 123.30 3mhh s GLU 284 Ca 0.18 -0.46 -0.14 0.00 0.36 0.00 0.00 54.97 54.91 3mhh s GLU 284 Cb -0.13 -3.53 0.02 0.00 0.26 0.00 0.00 34.13 30.76 3mhh s GLU 284 CO 0.07 -0.23 0.27 0.45 -0.54 0.00 0.00 175.26 175.27 3mhh s SER 285 N 1.68 5.99 -0.05 -1.70 0.15 -0.14 -1.64 113.70 117.99 3mhh s SER 285 Ca 0.06 -0.90 0.02 0.00 0.70 0.00 0.00 55.95 55.83 3mhh s SER 285 Cb -0.16 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 3mhh s SER 285 CO 0.07 -0.42 -0.09 -0.94 1.20 0.00 0.00 173.24 173.07 3mhh s SER 286 N 1.64 4.50 -0.33 5.45 1.04 -0.43 -1.78 113.70 123.79 3mhh s SER 286 Ca 0.04 -0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.29 3mhh s SER 286 Cb -0.19 -1.07 0.01 0.00 0.10 0.00 0.00 66.02 64.86 3mhh s SER 286 CO 0.09 0.34 0.17 -0.63 0.98 0.00 0.00 173.24 174.19 3mhh s ILE 287 N -0.83 4.54 0.00 -1.02 1.01 -0.87 -1.48 121.20 122.56 3mhh s ILE 287 Ca 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3mhh s ILE 287 Cb -0.11 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3mhh s ILE 287 CO 0.02 -0.04 0.00 0.55 0.00 0.00 0.00 174.94 175.47 3mhh n VAL 288 N 4.98 0.00 0.00 2.92 3.14 1.58 -1.81 118.33 129.14 3mhh n VAL 288 Ca -0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 3mhh n VAL 288 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 3mhh n VAL 288 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 3mhh n GLN 293 N 0.00 0.00 -1.94 1.45 7.27 -1.26 -4.33 117.38 118.57 3mhh n GLN 293 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 3mhh n GLN 293 Cb 0.00 0.00 0.07 0.00 2.41 0.00 0.00 30.24 32.72 3mhh n GLN 293 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3mhh s ASN 294 N 0.00 4.88 -0.30 1.69 2.20 -1.26 -5.04 114.94 117.11 3mhh s ASN 294 Ca 0.00 0.86 -0.16 0.00 -0.94 0.00 0.00 52.86 52.62 3mhh s ASN 294 Cb 0.00 -1.49 -0.02 0.00 -2.00 0.00 0.00 41.25 37.74 3mhh s ASN 294 CO 0.00 -1.66 0.43 0.54 -2.94 0.00 0.00 177.10 173.47 3mhh s ASN 295 N -4.49 6.29 0.15 3.54 2.20 -1.26 -4.96 114.94 116.41 3mhh s ASN 295 Ca 0.60 0.17 -0.22 0.00 -0.94 0.00 0.00 52.86 52.47 3mhh s ASN 295 Cb -0.11 -2.23 0.04 0.00 -2.00 0.00 0.00 41.25 36.95 3mhh s ASN 295 CO 0.49 -0.30 1.63 -1.28 -2.94 0.00 0.00 177.10 174.70 3mhh h SER 296 N 8.27 -0.77 -5.18 3.54 0.87 -1.63 -3.44 113.55 115.20 3mhh h SER 296 Ca -0.30 0.14 -0.13 0.00 -1.23 0.00 0.00 61.79 60.28 3mhh h SER 296 Cb 1.15 0.37 -0.16 0.00 -0.44 0.00 0.00 62.40 63.31 3mhh h SER 296 CO 0.70 -0.27 -0.68 -0.75 -0.53 0.00 0.00 176.83 175.30 3mhh s LYS 297 N -6.09 0.55 -0.16 2.24 2.20 -1.25 -5.02 119.74 112.22 3mhh s LYS 297 Ca -0.15 -1.09 -0.06 0.00 -0.36 0.00 0.00 55.97 54.31 3mhh s LYS 297 Cb 0.13 0.19 0.07 0.00 -1.51 0.00 0.00 37.83 36.71 3mhh s LYS 297 CO 0.68 -0.10 0.34 0.99 -0.36 0.00 0.00 175.35 176.90 3mhh s THR 298 N -3.41 -0.34 -0.14 3.43 2.01 -1.26 -2.04 115.64 113.89 3mhh s THR 298 Ca 0.02 0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 3mhh s THR 298 Cb 0.04 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 3mhh s THR 298 CO -0.08 0.08 -0.12 -0.89 -0.69 0.00 0.00 174.62 172.92 3mhh s THR 299 N 2.06 3.14 -0.19 -0.82 2.01 -0.73 -4.97 115.64 116.14 3mhh s THR 299 Ca -0.04 -0.63 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 3mhh s THR 299 Cb -0.11 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 3mhh s THR 299 CO -0.11 0.51 0.09 -0.63 -0.69 0.00 0.00 174.62 173.80 3mhh s ILE 300 N 0.46 5.06 -0.04 1.82 -1.09 -1.26 -0.96 121.20 125.19 3mhh s ILE 300 Ca -0.09 0.06 -0.01 0.00 -2.23 0.00 0.00 60.65 58.39 3mhh s ILE 300 Cb -0.16 -3.29 0.03 0.00 -1.58 0.00 0.00 42.46 37.46 3mhh s ILE 300 CO 0.04 0.46 0.02 -1.81 -1.23 0.00 0.00 174.94 172.42 3mhh s ASP 301 N 0.32 0.89 0.78 3.58 -0.00 -0.63 -4.96 116.67 116.65 3mhh s ASP 301 Ca 0.05 -0.01 -0.12 0.00 -0.00 0.00 0.00 52.55 52.47 3mhh s ASP 301 Cb -0.12 -0.25 0.07 0.00 -0.00 0.00 0.00 42.92 42.61 3mhh s ASP 301 CO -0.01 -0.16 1.14 -2.16 -0.00 0.00 0.00 175.17 173.98 3mhh s PRO 302 N 1.54 1.99 0.04 8.23 0.04 -1.26 -0.68 135.00 144.91 3mhh s PRO 302 Ca -0.02 1.47 -0.00 0.00 0.04 0.00 0.00 61.00 62.49 3mhh s PRO 302 Cb -0.13 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 3mhh s PRO 302 CO -0.03 -1.89 -0.04 -0.59 0.04 0.00 0.00 177.00 174.50 3mhh s PHE 303 N -2.48 0.46 -0.02 0.56 -0.12 0.63 -4.78 117.98 112.23 3mhh s PHE 303 Ca 0.67 -0.83 0.13 0.00 -0.05 0.00 0.00 56.93 56.85 3mhh s PHE 303 Cb -0.22 -0.33 -0.20 0.00 -0.63 0.00 0.00 43.02 41.64 3mhh s PHE 303 CO 0.51 -0.28 0.28 1.28 -0.05 0.00 0.00 175.22 176.96 3mhh n LEU 304 N 0.73 0.00 -3.76 -1.99 4.77 -1.26 -1.33 117.00 114.15 3mhh n LEU 304 Ca -0.18 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 3mhh n LEU 304 Cb 0.58 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.63 3mhh n LEU 304 CO 0.25 0.00 0.16 1.51 -1.33 0.00 0.00 177.39 177.98 3mhh s ASP 305 N -3.46 -0.17 -0.25 -1.43 1.47 -1.26 -4.53 116.67 107.03 3mhh s ASP 305 Ca -0.05 -0.53 -0.10 0.00 1.18 0.00 0.00 52.55 53.06 3mhh s ASP 305 Cb 0.08 0.51 -0.04 0.00 -0.34 0.00 0.00 42.92 43.12 3mhh s ASP 305 CO 0.53 -0.95 0.14 -0.76 0.68 0.00 0.00 175.17 174.81 3mhh s LEU 306 N -2.87 3.89 -0.32 2.11 1.43 -0.41 -4.99 118.68 117.51 3mhh s LEU 306 Ca 0.09 -0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 53.01 3mhh s LEU 306 Cb 0.01 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 3mhh s LEU 306 CO -0.05 -0.00 0.39 -0.44 0.23 0.00 0.00 176.35 176.48 3mhh s SER 307 N 1.44 6.22 0.08 2.29 0.01 -1.26 -0.97 113.70 121.52 3mhh s SER 307 Ca 0.07 -0.03 0.05 0.00 1.31 0.00 0.00 55.95 57.34 3mhh s SER 307 Cb -0.15 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 3mhh s SER 307 CO 0.07 -0.31 -0.02 -0.76 0.41 0.00 0.00 173.24 172.63 3mhh s LEU 308 N 2.10 3.39 0.08 2.44 1.43 0.75 -4.96 118.68 123.91 3mhh s LEU 308 Ca 0.14 -0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 52.84 3mhh s LEU 308 Cb -0.16 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.89 3mhh s LEU 308 CO 0.11 0.19 0.62 -0.62 0.23 0.00 0.00 176.35 176.89 3mhh s ASP 309 N -2.16 7.13 0.00 2.29 -1.08 -1.26 -1.01 116.67 120.59 3mhh s ASP 309 Ca 0.24 1.34 0.03 0.00 -0.52 0.00 0.00 52.55 53.64 3mhh s ASP 309 Cb -0.12 -2.39 -0.00 0.00 -1.46 0.00 0.00 42.92 38.95 3mhh s ASP 309 CO 0.16 0.24 0.35 2.30 0.52 0.00 0.00 175.17 178.73 3mhh n ILE 310 N 1.83 0.00 -1.66 4.11 -5.35 -1.26 -4.75 119.36 112.28 3mhh n ILE 310 Ca -0.09 -0.47 -0.48 0.00 -0.27 0.00 0.00 62.75 61.45 3mhh n ILE 310 Cb 0.50 1.03 -0.05 0.00 -1.74 0.00 0.00 39.64 39.39 3mhh n ILE 310 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3mhh n LYS 311 N -0.46 1.93 -2.36 6.28 5.02 -1.26 -1.49 118.16 125.82 3mhh n LYS 311 Ca 0.01 0.70 -0.19 0.00 -2.02 0.00 0.00 58.31 56.81 3mhh n LYS 311 Cb 0.06 -2.45 -0.01 0.00 -0.02 0.00 0.00 35.03 32.60 3mhh n LYS 311 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3mhh n ASP 312 N 3.64 -5.50 -4.34 4.39 8.00 -1.26 -4.98 116.55 116.51 3mhh n ASP 312 Ca 0.18 0.05 -0.23 0.00 0.71 0.00 0.00 54.79 55.50 3mhh n ASP 312 Cb 0.26 -4.61 -0.12 0.00 -0.02 0.00 0.00 41.12 36.64 3mhh n ASP 312 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3mhh s LYS 313 N -4.96 1.27 -0.00 -1.24 1.02 -0.56 -5.05 119.74 110.22 3mhh s LYS 313 Ca 0.00 -1.36 0.03 0.00 0.02 0.00 0.00 55.97 54.67 3mhh s LYS 313 Cb 0.00 -1.44 -0.04 0.00 -0.52 0.00 0.00 37.83 35.83 3mhh s LYS 313 CO 0.00 0.31 0.12 1.63 -0.92 0.00 0.00 175.35 176.49 3mhh n LYS 314 N 0.52 4.05 -3.93 1.68 5.02 -1.26 -4.85 118.16 119.40 3mhh n LYS 314 Ca -0.15 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.03 3mhh n LYS 314 Cb 0.56 -0.79 -0.11 0.00 -0.02 0.00 0.00 35.03 34.66 3mhh n LYS 314 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3mhh s LYS 315 N -1.61 0.28 0.30 1.97 1.02 -1.26 -0.85 119.74 119.58 3mhh s LYS 315 Ca 0.00 -0.41 -0.01 0.00 0.02 0.00 0.00 55.97 55.58 3mhh s LYS 315 Cb 0.02 0.11 0.45 0.00 -0.52 0.00 0.00 37.83 37.89 3mhh s LYS 315 CO 0.14 -0.05 1.90 1.25 -0.92 0.00 0.00 175.35 177.67 3mhh h LEU 316 N 4.92 0.83 -0.70 3.17 5.85 -0.91 -1.83 115.31 126.64 3mhh h LEU 316 Ca -0.30 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.36 3mhh h LEU 316 Cb 1.21 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 3mhh h LEU 316 CO 0.43 0.70 0.45 1.88 -0.34 0.00 0.00 178.44 181.56 3mhh h TYR 317 N 0.92 0.85 -0.35 1.25 0.05 -1.97 -0.78 116.97 116.94 3mhh h TYR 317 Ca 0.23 0.02 0.04 0.00 0.05 0.00 0.00 58.73 59.07 3mhh h TYR 317 Cb 0.09 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 3mhh h TYR 317 CO 0.01 0.51 0.23 0.93 -1.05 0.00 0.00 178.16 178.79 3mhh h GLU 318 N 0.90 0.31 -0.23 4.88 5.08 -1.75 0.20 114.58 123.97 3mhh h GLU 318 Ca 0.27 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.49 3mhh h GLU 318 Cb -0.04 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3mhh h GLU 318 CO -0.08 0.20 -0.34 0.00 -1.00 0.00 0.00 179.01 177.79 3mhh h LEU 320 N 0.33 0.67 -0.52 0.00 3.38 -0.60 -0.73 115.31 117.84 3mhh h LEU 320 Ca 0.02 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 57.75 3mhh h LEU 320 Cb 0.92 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.41 3mhh h LEU 320 CO 0.08 0.85 0.08 0.44 0.09 0.00 0.00 178.44 179.98 3mhh h ASP 321 N 0.47 -0.06 0.17 -0.43 3.45 -0.62 0.13 116.42 119.53 3mhh h ASP 321 Ca 0.10 0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 3mhh h ASP 321 Cb 0.54 0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.47 3mhh h ASP 321 CO 0.03 -0.01 -0.08 -1.28 -1.57 0.00 0.00 179.24 176.33 3mhh h SER 322 N 0.20 -0.19 -0.46 6.45 0.87 -0.93 -1.83 113.55 117.67 3mhh h SER 322 Ca 0.26 -0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.94 3mhh h SER 322 Cb 0.38 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 3mhh h SER 322 CO -0.37 -0.11 0.33 0.15 -0.53 0.00 0.00 176.83 176.31 3mhh h PHE 323 N -0.26 0.00 -0.29 2.24 3.57 -0.33 -1.71 116.94 120.16 3mhh h PHE 323 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3mhh h PHE 323 Cb 0.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3mhh h PHE 323 CO -0.06 0.00 0.00 1.58 -2.23 0.00 0.00 178.31 177.60 3mhh n HIS 324 N -4.37 0.38 -2.47 0.41 -0.00 0.38 -4.50 115.22 105.05 3mhh n HIS 324 Ca 0.08 -0.19 -0.35 0.00 0.46 0.00 0.00 57.72 57.72 3mhh n HIS 324 Cb 0.54 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.38 3mhh n HIS 324 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3mhh s LYS 325 N -1.62 3.79 0.28 1.57 1.02 -0.64 -4.50 119.74 119.62 3mhh s LYS 325 Ca 0.35 1.47 -0.29 0.00 0.02 0.00 0.00 55.97 57.53 3mhh s LYS 325 Cb 0.20 -2.19 -0.09 0.00 -0.52 0.00 0.00 37.83 35.22 3mhh s LYS 325 CO 0.28 -0.46 1.02 0.15 -0.92 0.00 0.00 175.35 175.42 3mhh s LYS 326 N -3.05 4.67 0.22 1.68 1.02 -1.26 -4.34 119.74 118.68 3mhh s LYS 326 Ca 0.66 1.62 0.03 0.00 0.02 0.00 0.00 55.97 58.30 3mhh s LYS 326 Cb -0.20 -3.13 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 3mhh s LYS 326 CO 0.24 0.30 0.12 0.39 -0.92 0.00 0.00 175.35 175.47 3mhh n GLU 327 N 1.12 0.52 0.00 1.68 -0.58 -0.14 -4.96 120.64 118.28 3mhh n GLU 327 Ca -0.01 -1.95 0.00 0.00 -0.42 0.00 0.00 57.16 54.78 3mhh n GLU 327 Cb 0.46 1.29 0.00 0.00 -0.57 0.00 0.00 31.44 32.62 3mhh n GLU 327 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3mhh n GLN 328 N -0.46 0.00 0.00 3.49 -0.06 -1.26 -1.99 117.38 117.10 3mhh n GLN 328 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3mhh n GLN 328 Cb 0.35 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.53 3mhh n GLN 328 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3mhh n GLY 337 N 0.00 4.08 0.13 1.69 0.00 -1.26 -5.08 105.19 104.75 3mhh n GLY 337 Ca 0.00 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 3mhh n GLY 337 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3mhh n GLU 338 N -1.45 0.62 -1.23 1.61 0.00 -1.26 -4.80 120.64 114.13 3mhh n GLU 338 Ca 0.00 0.27 0.02 0.00 0.00 0.00 0.00 57.16 57.45 3mhh n GLU 338 Cb 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 31.44 29.89 3mhh n GLU 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3mhh n ASN 340 N 0.34 0.00 -3.91 0.00 2.85 -1.26 -4.85 115.26 108.43 3mhh n ASN 340 Ca 0.01 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.38 3mhh n ASN 340 Cb 1.00 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.90 3mhh n ASN 340 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3mhh s ALA 345 N -1.00 -0.02 -0.03 5.20 0.00 -1.26 -4.90 121.76 119.76 3mhh s ALA 345 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 51.79 3mhh s ALA 345 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 3mhh s ALA 345 CO 0.00 -0.09 -0.13 -1.50 0.00 0.00 0.00 175.76 174.04 3mhh s ILE 346 N -0.70 1.08 -0.07 0.00 2.07 -1.26 -4.80 121.20 117.52 3mhh s ILE 346 Ca -0.08 -0.55 -0.06 0.00 -1.41 0.00 0.00 60.65 58.55 3mhh s ILE 346 Cb -0.05 -0.93 -0.04 0.00 0.13 0.00 0.00 42.46 41.57 3mhh s ILE 346 CO -0.00 0.32 0.18 -0.75 -1.91 0.00 0.00 174.94 172.78 3mhh s LYS 347 N -0.04 3.49 -0.14 3.50 2.20 -0.84 0.45 119.74 128.36 3mhh s LYS 347 Ca -0.00 -0.14 -0.10 0.00 -0.36 0.00 0.00 55.97 55.38 3mhh s LYS 347 Cb -0.08 -3.15 0.05 0.00 -1.51 0.00 0.00 37.83 33.13 3mhh s LYS 347 CO 0.01 0.73 0.35 -1.14 -0.36 0.00 0.00 175.35 174.93 3mhh s GLN 348 N -1.35 0.36 -0.21 4.03 0.74 -0.55 -0.97 119.66 121.70 3mhh s GLN 348 Ca 0.20 0.60 -0.11 0.00 0.05 0.00 0.00 55.36 56.10 3mhh s GLN 348 Cb -0.13 0.05 -0.05 0.00 1.10 0.00 0.00 33.01 33.98 3mhh s GLN 348 CO 0.10 -0.11 0.20 -0.51 -0.55 0.00 0.00 175.29 174.41 3mhh s LEU 349 N 0.85 4.17 0.24 3.68 1.43 -1.26 -1.32 118.68 126.47 3mhh s LEU 349 Ca -0.05 0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 53.25 3mhh s LEU 349 Cb -0.06 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 3mhh s LEU 349 CO -0.06 0.09 0.30 -0.83 0.23 0.00 0.00 176.35 176.08 3mhh s GLY 350 N 0.76 1.20 -0.24 -3.19 0.00 -0.65 -4.29 107.32 100.92 3mhh s GLY 350 Ca 0.10 -1.42 -0.22 0.00 0.00 0.00 0.00 44.72 43.18 3mhh s GLY 350 CO 0.03 -1.09 0.72 -0.42 0.00 0.00 0.00 173.10 172.34 3mhh s ILE 351 N -3.91 4.93 -0.14 0.90 -1.09 0.03 0.59 121.20 122.51 3mhh s ILE 351 Ca 0.32 1.34 -0.23 0.00 -2.23 0.00 0.00 60.65 59.85 3mhh s ILE 351 Cb 0.03 -4.02 -0.25 0.00 -1.58 0.00 0.00 42.46 36.64 3mhh s ILE 351 CO 0.13 -0.00 0.58 -0.74 -1.23 0.00 0.00 174.94 173.68 3mhh h HIS 352 N 7.73 0.19 -3.73 3.97 -0.00 -0.89 -2.00 115.15 120.41 3mhh h HIS 352 Ca -0.26 -0.14 -0.40 0.00 -0.00 0.00 0.00 60.37 59.58 3mhh h HIS 352 Cb 1.11 -0.01 -0.31 0.00 -0.00 0.00 0.00 27.41 28.21 3mhh h HIS 352 CO 0.75 1.32 -0.77 0.15 -0.00 0.00 0.00 177.93 179.37 3mhh s LYS 353 N -2.35 0.78 0.22 5.26 -0.14 -0.79 -4.92 119.74 117.78 3mhh s LYS 353 Ca -0.21 -0.21 -0.04 0.00 -1.36 0.00 0.00 55.97 54.15 3mhh s LYS 353 Cb 0.02 -0.75 -0.05 0.00 -1.68 0.00 0.00 37.83 35.36 3mhh s LYS 353 CO 0.70 0.05 0.46 -0.51 -0.76 0.00 0.00 175.35 175.29 3mhh s LEU 354 N 0.33 4.18 0.50 3.17 1.43 -1.26 -0.37 118.68 126.66 3mhh s LEU 354 Ca -0.04 0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 53.64 3mhh s LEU 354 Cb -0.09 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.75 3mhh s LEU 354 CO 0.00 -0.07 0.75 -2.16 0.23 0.00 0.00 176.35 175.11 3mhh s PRO 355 N -3.17 3.01 0.16 1.29 0.04 -1.25 -4.75 135.00 130.34 3mhh s PRO 355 Ca 0.42 -0.32 -0.06 0.00 0.04 0.00 0.00 61.00 61.08 3mhh s PRO 355 Cb -0.11 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 32.00 3mhh s PRO 355 CO 0.27 -0.43 1.45 0.77 0.04 0.00 0.00 177.00 179.11 3mhh h SER 356 N 0.19 0.72 -3.18 6.66 0.02 -1.46 -3.40 113.55 113.10 3mhh h SER 356 Ca -0.46 -0.40 -0.67 0.00 -0.84 0.00 0.00 61.79 59.42 3mhh h SER 356 Cb 1.25 -0.21 -0.33 0.00 0.14 0.00 0.00 62.40 63.25 3mhh h SER 356 CO 0.58 1.15 -0.82 -0.69 -1.14 0.00 0.00 176.83 175.91 3mhh s VAL 357 N -3.96 2.40 -0.24 2.27 1.01 0.19 -1.19 120.40 120.87 3mhh s VAL 357 Ca -0.08 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 3mhh s VAL 357 Cb 0.11 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3mhh s VAL 357 CO 0.86 0.48 0.28 -0.22 0.00 0.00 0.00 175.10 176.50 3mhh s LEU 358 N 1.33 4.10 -0.15 3.92 2.96 0.91 -4.44 118.68 127.32 3mhh s LEU 358 Ca 0.05 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 3mhh s LEU 358 Cb -0.14 -2.29 -0.01 0.00 0.50 0.00 0.00 46.19 44.26 3mhh s LEU 358 CO -0.10 -0.05 -0.15 0.54 -1.32 0.00 0.00 176.35 175.27 3mhh s VAL 359 N 1.45 2.74 -0.12 1.68 0.11 -1.26 -1.03 120.40 123.98 3mhh s VAL 359 Ca 0.12 -0.75 0.01 0.00 -2.93 0.00 0.00 61.98 58.43 3mhh s VAL 359 Cb -0.15 -2.15 -0.02 0.00 -1.53 0.00 0.00 36.38 32.54 3mhh s VAL 359 CO 0.08 0.52 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.46 3mhh s LEU 360 N 0.67 2.68 -0.21 2.54 1.43 -0.19 -1.29 118.68 124.30 3mhh s LEU 360 Ca -0.08 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 3mhh s LEU 360 Cb -0.16 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3mhh s LEU 360 CO 0.02 0.19 0.05 -1.58 0.23 0.00 0.00 176.35 175.27 3mhh s GLN 361 N 0.18 3.79 -0.35 1.70 0.74 -0.14 -0.45 119.66 125.13 3mhh s GLN 361 Ca -0.08 -0.43 -0.18 0.00 0.05 0.00 0.00 55.36 54.72 3mhh s GLN 361 Cb -0.15 -3.23 -0.00 0.00 1.10 0.00 0.00 33.01 30.72 3mhh s GLN 361 CO 0.05 0.05 0.53 -0.51 -0.55 0.00 0.00 175.29 174.87 3mhh s LEU 362 N 0.96 4.33 -0.13 3.68 1.43 0.30 -0.18 118.68 129.07 3mhh s LEU 362 Ca 0.03 0.00 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 3mhh s LEU 362 Cb -0.14 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.42 3mhh s LEU 362 CO 0.03 -0.50 1.72 -0.54 0.23 0.00 0.00 176.35 177.29 3mhh s LYS 363 N 2.44 3.92 0.00 1.70 1.02 -0.18 -4.81 119.74 123.83 3mhh s LYS 363 Ca 0.20 1.99 0.00 0.00 0.02 0.00 0.00 55.97 58.17 3mhh s LYS 363 Cb -0.15 -4.06 0.00 0.00 -0.52 0.00 0.00 37.83 33.10 3mhh s LYS 363 CO 0.13 -1.16 0.00 0.54 -0.92 0.00 0.00 175.35 173.94 3mhh n ARG 364 N 7.54 4.96 -3.74 1.68 1.74 -1.26 -4.49 116.66 123.09 3mhh n ARG 364 Ca 0.19 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.89 3mhh n ARG 364 Cb 0.44 -0.40 -0.12 0.00 -1.02 0.00 0.00 32.46 31.35 3mhh n ARG 364 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3mhh s PHE 365 N -0.79 3.25 -0.10 -1.55 2.99 -1.26 -0.83 117.98 119.69 3mhh s PHE 365 Ca 0.00 -1.37 -0.11 0.00 0.00 0.00 0.00 56.93 55.45 3mhh s PHE 365 Cb 0.00 -2.29 -0.05 0.00 0.00 0.00 0.00 43.02 40.68 3mhh s PHE 365 CO 0.00 -0.72 0.26 -1.21 -0.00 0.00 0.00 175.22 173.55 3mhh s GLU 366 N 1.42 3.82 -0.33 0.44 2.02 0.15 -4.97 118.70 121.25 3mhh s GLU 366 Ca -0.01 0.09 0.03 0.00 0.02 0.00 0.00 54.97 55.10 3mhh s GLU 366 Cb -0.19 -3.27 0.10 0.00 0.10 0.00 0.00 34.13 30.87 3mhh s GLU 366 CO 0.03 0.60 0.04 -1.01 0.02 0.00 0.00 175.26 174.94 3mhh s HIS 367 N -0.63 3.53 0.66 1.61 3.76 -1.26 -0.80 115.29 122.16 3mhh s HIS 367 Ca 0.18 -2.82 -0.11 0.00 -0.15 0.00 0.00 55.06 52.16 3mhh s HIS 367 Cb -0.14 -2.71 -0.01 0.00 1.11 0.00 0.00 32.58 30.84 3mhh s HIS 367 CO 0.07 -0.93 1.06 -0.51 -0.85 0.00 0.00 174.74 173.57 3mhh s LEU 368 N 0.99 3.05 0.52 0.89 1.02 -0.24 -4.95 118.68 119.96 3mhh s LEU 368 Ca 0.09 1.23 0.26 0.00 0.02 0.00 0.00 54.13 55.72 3mhh s LEU 368 Cb -0.19 -4.12 1.44 0.00 0.02 0.00 0.00 46.19 43.33 3mhh s LEU 368 CO -0.09 -1.14 2.08 0.25 0.02 0.00 0.00 176.35 177.48 3mhh h LEU 369 N -0.49 0.00 -0.51 1.79 5.85 -2.00 -0.34 115.31 119.62 3mhh h LEU 369 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3mhh h LEU 369 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3mhh h LEU 369 CO 0.63 0.11 0.00 -0.46 -0.34 0.00 0.00 178.44 178.38 3mhh n ASN 370 N -3.73 0.77 0.00 1.25 6.94 -1.26 -4.89 115.26 114.34 3mhh n ASN 370 Ca -0.02 -1.46 0.00 0.00 -0.02 0.00 0.00 54.58 53.08 3mhh n ASN 370 Cb 0.22 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 3mhh n ASN 370 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3mhh n GLY 371 N 0.99 0.76 3.91 4.83 0.00 -0.14 -5.06 105.19 110.49 3mhh n GLY 371 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3mhh n GLY 371 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mhh s SER 372 N -2.77 5.40 -0.02 1.61 1.04 -1.25 -4.87 113.70 112.84 3mhh s SER 372 Ca 0.00 0.72 0.03 0.00 0.48 0.00 0.00 55.95 57.18 3mhh s SER 372 Cb 0.00 -1.61 -0.00 0.00 0.10 0.00 0.00 66.02 64.51 3mhh s SER 372 CO 0.00 -1.22 -0.12 0.20 0.98 0.00 0.00 173.24 173.08 3mhh s ASN 373 N -4.36 1.46 -0.07 7.02 0.02 -1.26 -1.08 114.94 116.67 3mhh s ASN 373 Ca 0.56 -0.23 0.02 0.00 -1.02 0.00 0.00 52.86 52.19 3mhh s ASN 373 Cb -0.11 -0.26 0.01 0.00 0.02 0.00 0.00 41.25 40.91 3mhh s ASN 373 CO 0.46 0.12 -0.12 -0.60 0.02 0.00 0.00 177.10 176.98 3mhh s ARG 374 N -0.10 1.70 -0.17 -0.60 3.52 0.02 -4.86 118.95 118.46 3mhh s ARG 374 Ca 0.01 -0.41 -0.09 0.00 -0.13 0.00 0.00 55.73 55.11 3mhh s ARG 374 Cb -0.07 -1.42 -0.05 0.00 -1.56 0.00 0.00 34.95 31.85 3mhh s ARG 374 CO 0.00 0.01 0.15 0.21 -0.81 0.00 0.00 175.30 174.86 3mhh s LYS 375 N 0.72 3.98 -0.38 5.12 2.47 -1.26 -0.67 119.74 129.72 3mhh s LYS 375 Ca -0.14 -0.17 -0.14 0.00 -1.56 0.00 0.00 55.97 53.96 3mhh s LYS 375 Cb -0.16 -3.35 0.00 0.00 -1.46 0.00 0.00 37.83 32.86 3mhh s LYS 375 CO 0.03 0.44 0.29 -0.51 0.16 0.00 0.00 175.35 175.76 3mhh s LEU 376 N -0.04 4.82 -0.16 5.43 1.43 -0.01 -4.95 118.68 125.20 3mhh s LEU 376 Ca 0.11 -0.65 0.15 0.00 -1.03 0.00 0.00 54.13 52.71 3mhh s LEU 376 Cb -0.11 -2.18 0.71 0.00 0.03 0.00 0.00 46.19 44.64 3mhh s LEU 376 CO 0.00 -0.37 1.60 0.47 0.23 0.00 0.00 176.35 178.29 3mhh n ASP 377 N 5.19 4.86 -4.70 2.29 8.00 -1.26 -4.83 116.55 126.10 3mhh n ASP 377 Ca -0.11 -2.61 -0.43 0.00 0.71 0.00 0.00 54.79 52.34 3mhh n ASP 377 Cb 0.48 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 3mhh n ASP 377 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mhh n ASP 378 N 0.83 3.67 -4.73 -2.24 8.00 -1.26 -4.94 116.55 115.89 3mhh n ASP 378 Ca 0.25 1.07 -0.42 0.00 0.71 0.00 0.00 54.79 56.40 3mhh n ASP 378 Cb 0.97 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 3mhh n ASP 378 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3mhh s PHE 379 N 1.07 3.47 -0.14 1.24 5.36 -1.26 -4.88 117.98 122.85 3mhh s PHE 379 Ca 0.76 1.41 0.00 0.00 -0.96 0.00 0.00 56.93 58.15 3mhh s PHE 379 Cb -0.57 -3.39 0.02 0.00 -0.34 0.00 0.00 43.02 38.75 3mhh s PHE 379 CO 0.34 -1.08 -0.13 0.42 -1.46 0.00 0.00 175.22 173.31 3mhh s ILE 380 N 0.42 1.43 0.19 3.12 -1.09 -1.26 -4.70 121.20 119.31 3mhh s ILE 380 Ca 0.55 -0.55 -0.30 0.00 -2.23 0.00 0.00 60.65 58.12 3mhh s ILE 380 Cb -0.30 -1.36 -0.08 0.00 -1.58 0.00 0.00 42.46 39.13 3mhh s ILE 380 CO 0.33 0.43 1.28 -0.70 -1.23 0.00 0.00 174.94 175.05 3mhh s GLU 381 N 1.51 4.41 -0.00 2.79 2.12 -0.03 -4.75 118.70 124.75 3mhh s GLU 381 Ca 0.04 2.00 0.03 0.00 0.36 0.00 0.00 54.97 57.40 3mhh s GLU 381 Cb -0.13 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 3mhh s GLU 381 CO -0.09 -0.21 -0.09 -0.59 -0.54 0.00 0.00 175.26 173.74 3mhh s PHE 382 N 0.09 0.77 0.30 5.30 -0.12 -1.26 -0.23 117.98 122.83 3mhh s PHE 382 Ca 0.56 -0.17 -0.02 0.00 -0.05 0.00 0.00 56.93 57.24 3mhh s PHE 382 Cb -0.35 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 41.50 3mhh s PHE 382 CO 0.38 -0.01 0.53 -1.25 -0.05 0.00 0.00 175.22 174.81 3mhh s PRO 383 N -0.33 3.56 0.48 1.99 0.04 -1.26 -4.97 135.00 134.52 3mhh s PRO 383 Ca 0.02 -0.16 0.23 0.00 0.04 0.00 0.00 61.00 61.14 3mhh s PRO 383 Cb -0.04 -2.68 1.24 0.00 0.04 0.00 0.00 34.50 33.06 3mhh s PRO 383 CO -0.00 0.21 2.01 1.79 0.04 0.00 0.00 177.00 181.05 3mhh h THR 384 N 1.17 0.75 -3.47 1.26 1.35 -1.95 -3.41 112.91 108.62 3mhh h THR 384 Ca -0.48 -0.69 -0.38 0.00 -0.55 0.00 0.00 66.41 64.30 3mhh h THR 384 Cb 1.20 1.42 -0.34 0.00 -1.73 0.00 0.00 68.15 68.70 3mhh h THR 384 CO 0.65 0.17 -0.76 -0.31 -0.25 0.00 0.00 175.52 175.02 3mhh s TYR 385 N -4.23 0.56 -0.17 4.73 2.02 -1.26 -1.17 117.35 117.83 3mhh s TYR 385 Ca -0.03 -0.12 -0.02 0.00 -0.37 0.00 0.00 57.07 56.54 3mhh s TYR 385 Cb 0.14 -0.56 -0.01 0.00 -0.40 0.00 0.00 41.96 41.12 3mhh s TYR 385 CO 0.63 -0.17 -0.09 -1.17 -1.57 0.00 0.00 175.55 173.18 3mhh s LEU 386 N 1.01 2.83 -0.33 -1.29 0.20 -0.71 -4.93 118.68 115.45 3mhh s LEU 386 Ca -0.10 -0.34 -0.13 0.00 0.69 0.00 0.00 54.13 54.25 3mhh s LEU 386 Cb -0.14 -1.68 -0.02 0.00 -0.43 0.00 0.00 46.19 43.92 3mhh s LEU 386 CO -0.01 0.09 0.25 0.21 -0.29 0.00 0.00 176.35 176.60 3mhh s ASN 387 N 0.83 6.07 0.00 3.68 3.84 -1.26 -0.42 114.94 127.68 3mhh s ASN 387 Ca -0.03 -0.33 0.20 0.00 0.21 0.00 0.00 52.86 52.91 3mhh s ASN 387 Cb -0.15 -2.14 0.56 0.00 -0.55 0.00 0.00 41.25 38.96 3mhh s ASN 387 CO 0.01 -0.22 1.45 0.23 -2.79 0.00 0.00 177.10 175.78 3mhh n MET 388 N 5.14 2.06 -0.08 0.43 2.81 0.01 -4.52 117.12 122.98 3mhh n MET 388 Ca -0.12 -1.62 -0.01 0.00 -1.81 0.00 0.00 57.70 54.14 3mhh n MET 388 Cb 0.50 -1.42 0.26 0.00 -0.71 0.00 0.00 33.22 31.85 3mhh n MET 388 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3mhh h LYS 389 N 3.02 0.70 0.00 0.03 2.10 -1.80 -1.75 116.57 118.87 3mhh h LYS 389 Ca 0.00 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 3mhh h LYS 389 Cb 0.67 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 3mhh h LYS 389 CO 0.00 0.62 0.00 0.09 -2.00 0.00 0.00 179.45 178.16 3mhh n ASN 390 N -4.31 0.00 -0.17 7.07 3.02 -1.26 -3.27 115.26 116.33 3mhh n ASN 390 Ca 0.03 0.13 0.02 0.00 -0.03 0.00 0.00 54.58 54.73 3mhh n ASN 390 Cb 0.20 -0.31 0.02 0.00 -0.61 0.00 0.00 39.78 39.08 3mhh n ASN 390 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3mhh n TYR 391 N -1.31 0.03 -3.17 3.10 4.01 -0.66 -4.96 117.16 114.20 3mhh n TYR 391 Ca 0.07 -0.09 -0.39 0.00 -0.16 0.00 0.00 57.90 57.33 3mhh n TYR 391 Cb 0.13 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 3mhh n TYR 391 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mhh n SER 393 N 2.81 0.00 -4.74 0.00 7.64 -0.75 -4.79 113.62 113.78 3mhh n SER 393 Ca -0.06 -1.64 -0.41 0.00 1.01 0.00 0.00 58.87 57.77 3mhh n SER 393 Cb 0.51 -0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 3mhh n SER 393 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3mhh s LYS 405 N 3.80 4.32 0.08 1.43 3.01 -1.26 -4.99 119.74 126.14 3mhh s LYS 405 Ca 0.00 2.19 -0.30 0.00 -1.01 0.00 0.00 55.97 56.85 3mhh s LYS 405 Cb 0.00 -3.14 -0.06 0.00 -1.01 0.00 0.00 37.83 33.62 3mhh s LYS 405 CO 0.00 -0.33 1.14 0.08 0.51 0.00 0.00 175.35 176.75 3mhh s VAL 406 N -0.04 4.15 0.84 3.17 1.01 -1.26 -5.03 120.40 123.24 3mhh s VAL 406 Ca 0.57 1.60 -0.12 0.00 0.00 0.00 0.00 61.98 64.04 3mhh s VAL 406 Cb -0.39 -4.03 0.10 0.00 0.00 0.00 0.00 36.38 32.06 3mhh s VAL 406 CO 0.42 0.16 1.10 -2.16 0.00 0.00 0.00 175.10 174.62 3mhh s PRO 407 N 0.73 1.72 0.13 2.72 0.04 -1.26 -4.95 135.00 134.12 3mhh s PRO 407 Ca 0.55 0.60 -0.32 0.00 0.04 0.00 0.00 61.00 61.87 3mhh s PRO 407 Cb -0.28 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.26 3mhh s PRO 407 CO 0.30 -1.87 1.75 -0.25 0.04 0.00 0.00 177.00 176.97 3mhh n ASP 408 N -3.59 3.70 -3.94 6.66 8.00 -1.26 -4.54 116.55 121.58 3mhh n ASP 408 Ca 0.07 1.03 -0.31 0.00 0.71 0.00 0.00 54.79 56.29 3mhh n ASP 408 Cb 0.57 -1.50 -0.15 0.00 -0.02 0.00 0.00 41.12 40.02 3mhh n ASP 408 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mhh s ILE 409 N 2.08 1.74 -0.16 0.53 1.01 -1.26 -1.31 121.20 123.82 3mhh s ILE 409 Ca 0.81 -1.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 3mhh s ILE 409 Cb -0.57 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 3mhh s ILE 409 CO 0.38 -0.43 -0.10 -0.63 0.00 0.00 0.00 174.94 174.16 3mhh s ILE 410 N 1.22 3.12 0.14 2.92 1.01 0.11 -0.81 121.20 128.91 3mhh s ILE 410 Ca 0.04 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.12 3mhh s ILE 410 Cb -0.19 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3mhh s ILE 410 CO -0.11 0.49 0.14 -0.31 0.00 0.00 0.00 174.94 175.15 3mhh s TYR 411 N 0.78 3.21 -0.20 3.97 2.02 0.44 -0.85 117.35 126.72 3mhh s TYR 411 Ca -0.04 0.03 -0.06 0.00 -0.37 0.00 0.00 57.07 56.64 3mhh s TYR 411 Cb -0.15 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 3mhh s TYR 411 CO 0.01 0.52 0.02 -2.00 -1.57 0.00 0.00 175.55 172.53 3mhh s GLU 412 N -2.91 3.69 -0.02 -0.62 2.12 0.23 -1.75 118.70 119.44 3mhh s GLU 412 Ca 0.31 -0.49 -0.30 0.00 0.36 0.00 0.00 54.97 54.85 3mhh s GLU 412 Cb -0.11 -3.12 -0.06 0.00 0.26 0.00 0.00 34.13 31.10 3mhh s GLU 412 CO 0.24 0.05 1.57 -1.17 -0.54 0.00 0.00 175.26 175.41 3mhh s LEU 413 N 0.92 4.32 0.00 2.70 2.96 -0.31 -0.44 118.68 128.83 3mhh s LEU 413 Ca 0.02 2.23 0.00 0.00 -0.22 0.00 0.00 54.13 56.16 3mhh s LEU 413 Cb -0.14 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.00 3mhh s LEU 413 CO 0.02 -0.86 0.32 2.30 -1.32 0.00 0.00 176.35 176.81 3mhh n ILE 414 N 5.10 0.00 -3.64 6.68 -5.35 0.15 -4.86 119.36 117.44 3mhh n ILE 414 Ca 0.16 -0.38 -0.12 0.00 -0.27 0.00 0.00 62.75 62.14 3mhh n ILE 414 Cb 0.43 1.20 -0.07 0.00 -1.74 0.00 0.00 39.64 39.45 3mhh n ILE 414 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3mhh s GLY 415 N -0.13 -0.56 -0.05 3.28 0.00 -1.08 -1.73 107.32 107.06 3mhh s GLY 415 Ca 0.00 2.12 0.02 0.00 0.00 0.00 0.00 44.72 46.86 3mhh s GLY 415 CO 0.00 1.92 -0.08 -0.42 0.00 0.00 0.00 173.10 174.51 3mhh s ILE 416 N 0.73 0.80 -0.16 0.90 1.01 0.09 -0.90 121.20 123.67 3mhh s ILE 416 Ca -0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 3mhh s ILE 416 Cb -0.05 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 3mhh s ILE 416 CO -0.05 0.27 -0.02 -0.69 0.00 0.00 0.00 174.94 174.46 3mhh s VAL 417 N 0.62 4.06 0.06 2.92 1.01 -0.68 -0.23 120.40 128.17 3mhh s VAL 417 Ca -0.10 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.67 3mhh s VAL 417 Cb -0.13 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3mhh s VAL 417 CO 0.02 0.49 -0.25 -0.55 0.00 0.00 0.00 175.10 174.81 3mhh s SER 418 N 0.35 2.96 -0.01 3.32 0.15 0.13 -0.55 113.70 120.05 3mhh s SER 418 Ca -0.03 -0.61 0.08 0.00 0.70 0.00 0.00 55.95 56.10 3mhh s SER 418 Cb -0.14 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.91 3mhh s SER 418 CO 0.02 0.21 -0.26 -2.28 1.20 0.00 0.00 173.24 172.13 3mhh s HIS 419 N -0.87 2.34 -0.03 3.44 5.65 -1.26 -0.86 115.29 123.71 3mhh s HIS 419 Ca 0.11 -0.43 0.02 0.00 0.25 0.00 0.00 55.06 55.01 3mhh s HIS 419 Cb -0.10 -1.49 0.01 0.00 -1.18 0.00 0.00 32.58 29.82 3mhh s HIS 419 CO 0.03 -0.01 -0.06 0.21 -0.65 0.00 0.00 174.74 174.25 3mhh s LYS 420 N -0.69 0.76 0.00 2.88 2.20 0.02 -4.96 119.74 119.95 3mhh s LYS 420 Ca 0.10 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 3mhh s LYS 420 Cb -0.10 -0.74 0.00 0.00 -1.51 0.00 0.00 37.83 35.48 3mhh s LYS 420 CO -0.01 0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.44 3mhh n GLY 421 N 3.45 -0.27 3.92 5.54 0.00 -1.26 -0.21 105.19 116.37 3mhh n GLY 421 Ca -0.19 -1.97 -0.26 0.00 0.00 0.00 0.00 46.02 43.59 3mhh n GLY 421 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mhh s THR 422 N 0.00 2.22 0.46 2.61 -4.23 -1.25 -4.85 115.64 110.59 3mhh s THR 422 Ca 0.00 -0.22 0.13 0.00 -1.18 0.00 0.00 61.69 60.42 3mhh s THR 422 Cb 0.00 -3.00 0.22 0.00 1.34 0.00 0.00 72.50 71.06 3mhh s THR 422 CO 0.00 0.00 2.04 0.58 -0.54 0.00 0.00 174.62 176.70 3mhh h VAL 423 N -0.70 1.09 0.00 2.29 2.07 -1.93 -3.06 116.25 116.02 3mhh h VAL 423 Ca -0.45 -0.40 -0.15 0.00 0.82 0.00 0.00 66.70 66.53 3mhh h VAL 423 Cb 1.32 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 3mhh h VAL 423 CO 0.61 0.12 -1.56 0.59 0.02 0.00 0.00 177.57 177.35 3mhh n ASN 424 N -4.40 3.02 -2.78 0.57 5.03 -1.26 -4.71 115.26 110.73 3mhh n ASN 424 Ca -0.02 -0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.08 3mhh n ASN 424 Cb 0.18 0.63 0.02 0.00 -1.02 0.00 0.00 39.78 39.58 3mhh n ASN 424 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3mhh n GLU 425 N -2.34 3.18 -3.28 3.52 1.02 -1.24 -4.94 120.64 116.55 3mhh n GLU 425 Ca -0.14 -4.02 -0.20 0.00 -0.02 0.00 0.00 57.16 52.78 3mhh n GLU 425 Cb 0.76 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 3mhh n GLU 425 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mhh n GLY 426 N -0.48 2.77 3.03 0.62 0.00 -1.16 -3.88 105.19 106.10 3mhh n GLY 426 Ca 0.47 -2.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 3mhh n GLY 426 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3mhh s HIS 427 N -2.12 1.02 -0.03 1.61 2.46 0.71 -4.95 115.29 113.99 3mhh s HIS 427 Ca 0.25 -0.24 0.01 0.00 0.47 0.00 0.00 55.06 55.55 3mhh s HIS 427 Cb -0.02 -0.70 -0.03 0.00 -0.13 0.00 0.00 32.58 31.69 3mhh s HIS 427 CO 0.16 -0.08 -0.01 0.71 -2.47 0.00 0.00 174.74 173.06 3mhh s TYR 428 N 0.02 3.07 0.01 3.88 2.02 -1.26 -0.80 117.35 124.29 3mhh s TYR 428 Ca -0.01 0.09 0.04 0.00 -0.37 0.00 0.00 57.07 56.83 3mhh s TYR 428 Cb -0.07 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 3mhh s TYR 428 CO 0.00 0.45 -0.12 0.42 -1.57 0.00 0.00 175.55 174.73 3mhh s ILE 429 N -1.01 0.96 0.09 2.71 1.01 -0.04 -4.74 121.20 120.18 3mhh s ILE 429 Ca 0.17 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.13 3mhh s ILE 429 Cb -0.11 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 3mhh s ILE 429 CO 0.07 0.12 0.10 0.00 0.00 0.00 0.00 174.94 175.24 3mhh s ALA 430 N -0.56 3.61 -0.05 9.38 0.00 -0.88 -0.69 121.76 132.56 3mhh s ALA 430 Ca 0.02 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3mhh s ALA 430 Cb -0.06 -1.46 0.02 0.00 0.00 0.00 0.00 23.12 21.62 3mhh s ALA 430 CO 0.00 0.71 -0.08 -0.06 0.00 0.00 0.00 175.76 176.34 3mhh s PHE 431 N -1.46 1.04 0.02 0.00 0.08 0.69 -0.00 117.98 118.35 3mhh s PHE 431 Ca 0.30 -0.35 0.04 0.00 0.12 0.00 0.00 56.93 57.04 3mhh s PHE 431 Cb -0.12 -0.84 -0.02 0.00 -0.57 0.00 0.00 43.02 41.47 3mhh s PHE 431 CO 0.23 -0.24 -0.13 0.00 -0.10 0.00 0.00 175.22 174.98 3mhh s LYS 433 N -0.89 3.73 0.45 0.00 2.20 -0.70 0.19 119.74 124.72 3mhh s LYS 433 Ca 0.02 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 3mhh s LYS 433 Cb -0.07 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 3mhh s LYS 433 CO 0.01 0.33 0.01 0.44 -0.36 0.00 0.00 175.35 175.77 3mhh n ILE 434 N 3.31 0.00 -1.72 5.43 -5.35 -0.96 -4.89 119.36 115.18 3mhh n ILE 434 Ca -0.17 -2.12 -0.42 0.00 -0.27 0.00 0.00 62.75 59.76 3mhh n ILE 434 Cb 0.53 0.42 -0.01 0.00 -1.74 0.00 0.00 39.64 38.83 3mhh n ILE 434 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3mhh n SER 435 N -1.28 3.24 0.00 7.28 2.88 -1.26 -2.52 113.62 121.96 3mhh n SER 435 Ca -0.18 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 3mhh n SER 435 Cb 0.57 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 3mhh n SER 435 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mhh n GLY 436 N 1.20 0.22 1.31 0.46 0.00 -1.26 -4.36 105.19 102.75 3mhh n GLY 436 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3mhh n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mhh n GLY 437 N -1.95 0.82 3.75 -0.02 0.00 -1.05 -5.03 105.19 101.71 3mhh n GLY 437 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3mhh n GLY 437 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mhh s GLN 438 N -0.56 4.55 0.05 1.61 2.00 -1.25 -4.87 119.66 121.18 3mhh s GLN 438 Ca 0.00 1.85 0.01 0.00 -2.00 0.00 0.00 55.36 55.22 3mhh s GLN 438 Cb 0.00 -3.22 -0.04 0.00 0.80 0.00 0.00 33.01 30.55 3mhh s GLN 438 CO 0.00 0.03 0.13 -1.58 -0.50 0.00 0.00 175.29 173.36 3mhh s TRP 439 N -0.49 3.34 -0.01 1.67 0.52 -1.26 -2.27 118.94 120.44 3mhh s TRP 439 Ca 0.49 0.18 0.02 0.00 0.02 0.00 0.00 56.10 56.82 3mhh s TRP 439 Cb -0.32 -1.70 -0.00 0.00 -1.15 0.00 0.00 33.47 30.29 3mhh s TRP 439 CO 0.39 0.56 -0.08 -0.06 0.02 0.00 0.00 176.95 177.78 3mhh s PHE 440 N -1.38 0.77 -0.23 -1.98 0.08 0.13 -2.76 117.98 112.62 3mhh s PHE 440 Ca 0.29 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 57.07 3mhh s PHE 440 Cb -0.12 -0.53 -0.05 0.00 -0.57 0.00 0.00 43.02 41.74 3mhh s PHE 440 CO 0.22 -0.05 0.16 0.21 -0.10 0.00 0.00 175.22 175.66 3mhh s LYS 441 N 0.01 4.10 -0.40 0.44 2.20 0.25 -0.57 119.74 125.76 3mhh s LYS 441 Ca 0.00 -0.24 -0.07 0.00 -0.36 0.00 0.00 55.97 55.30 3mhh s LYS 441 Cb -0.06 -3.51 0.08 0.00 -1.51 0.00 0.00 37.83 32.84 3mhh s LYS 441 CO -0.00 0.12 0.22 -0.06 -0.36 0.00 0.00 175.35 175.26 3mhh s PHE 442 N 0.89 3.38 -0.61 4.03 0.08 0.99 -1.69 117.98 125.05 3mhh s PHE 442 Ca 0.08 -1.75 -0.02 0.00 0.12 0.00 0.00 56.93 55.35 3mhh s PHE 442 Cb -0.13 -2.90 0.16 0.00 -0.57 0.00 0.00 43.02 39.57 3mhh s PHE 442 CO 0.03 -0.87 0.42 1.21 -0.10 0.00 0.00 175.22 175.91 3mhh s ASN 443 N 1.95 5.19 0.94 1.36 3.84 0.05 -2.08 114.94 126.19 3mhh s ASN 443 Ca 0.03 -2.82 0.00 0.00 0.21 0.00 0.00 52.86 50.28 3mhh s ASN 443 Cb -0.23 -1.84 0.00 0.00 -0.55 0.00 0.00 41.25 38.63 3mhh s ASN 443 CO 0.00 -0.37 0.00 0.47 -2.79 0.00 0.00 177.10 174.41 3mhh n ASP 444 N 3.52 0.00 0.10 -4.21 8.00 -1.26 -0.95 116.55 121.75 3mhh n ASP 444 Ca 0.07 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.70 3mhh n ASP 444 Cb 0.38 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 41.93 3mhh n ASP 444 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3mhh n SER 445 N 4.39 0.64 -4.63 -2.24 3.41 -1.16 -2.38 113.62 111.66 3mhh n SER 445 Ca 0.00 0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 58.79 3mhh n SER 445 Cb 0.00 -0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 63.15 3mhh n SER 445 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3mhh s MET 446 N -3.16 4.07 -0.22 4.33 -1.94 -0.13 -4.04 119.30 118.21 3mhh s MET 446 Ca 0.09 0.76 -0.05 0.00 -1.71 0.00 0.00 55.69 54.78 3mhh s MET 446 Cb 0.12 -3.69 -0.02 0.00 2.01 0.00 0.00 34.83 33.25 3mhh s MET 446 CO 0.50 -0.61 0.00 0.08 -0.01 0.00 0.00 175.02 174.98 3mhh s VAL 447 N 2.93 3.82 0.12 -6.03 1.01 -1.26 -0.77 120.40 120.22 3mhh s VAL 447 Ca 0.34 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.01 3mhh s VAL 447 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3mhh s VAL 447 CO 0.10 0.40 -0.10 -0.94 0.00 0.00 0.00 175.10 174.56 3mhh s SER 448 N 1.37 1.63 0.30 3.32 1.04 -0.68 -4.98 113.70 115.70 3mhh s SER 448 Ca 0.05 -0.92 -0.08 0.00 0.48 0.00 0.00 55.95 55.48 3mhh s SER 448 Cb -0.15 0.00 -0.06 0.00 0.10 0.00 0.00 66.02 65.91 3mhh s SER 448 CO 0.00 -0.30 0.60 -0.94 0.98 0.00 0.00 173.24 173.58 3mhh s SER 449 N -2.83 6.52 -0.10 7.02 1.04 -1.26 -0.59 113.70 123.49 3mhh s SER 449 Ca 0.11 0.87 -0.14 0.00 0.48 0.00 0.00 55.95 57.28 3mhh s SER 449 Cb 0.00 -2.21 0.03 0.00 0.10 0.00 0.00 66.02 63.95 3mhh s SER 449 CO 0.00 -0.21 0.35 -0.51 0.98 0.00 0.00 173.24 173.86 3mhh s ILE 450 N -2.07 0.02 0.42 -1.02 2.07 -1.11 -4.84 121.20 114.66 3mhh s ILE 450 Ca 0.47 -0.14 -0.25 0.00 -1.41 0.00 0.00 60.65 59.32 3mhh s ILE 450 Cb -0.11 -0.55 -0.08 0.00 0.13 0.00 0.00 42.46 41.85 3mhh s ILE 450 CO 0.28 -0.07 1.23 -0.94 -1.91 0.00 0.00 174.94 173.52 3mhh s SER 451 N -0.27 6.31 0.33 4.50 1.04 -1.26 -4.12 113.70 120.24 3mhh s SER 451 Ca -0.04 2.47 0.10 0.00 0.48 0.00 0.00 55.95 58.96 3mhh s SER 451 Cb -0.03 -2.62 0.86 0.00 0.10 0.00 0.00 66.02 64.33 3mhh s SER 451 CO 0.02 -0.83 1.78 -0.61 0.98 0.00 0.00 173.24 174.57 3mhh h GLN 452 N 2.48 0.62 -0.69 4.02 4.15 -1.94 -1.44 115.11 122.31 3mhh h GLN 452 Ca -0.49 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 58.92 3mhh h GLN 452 Cb 1.24 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.76 3mhh h GLN 452 CO 0.62 0.41 0.46 1.49 -1.93 0.00 0.00 178.83 179.87 3mhh h GLU 453 N 0.64 0.82 0.23 1.69 4.81 -1.99 -0.94 114.58 119.83 3mhh h GLU 453 Ca 0.58 -0.05 -0.34 0.00 -0.13 0.00 0.00 59.36 59.42 3mhh h GLU 453 Cb 1.08 -0.19 0.03 0.00 0.63 0.00 0.00 28.75 30.31 3mhh h GLU 453 CO -0.36 0.55 -1.57 0.93 -0.73 0.00 0.00 179.01 177.82 3mhh h GLU 454 N 0.85 0.49 -0.77 1.92 4.39 -1.71 -3.24 114.58 116.51 3mhh h GLU 454 Ca 0.27 -0.84 0.16 0.00 0.34 0.00 0.00 59.36 59.29 3mhh h GLU 454 Cb 0.04 0.31 -0.10 0.00 -0.10 0.00 0.00 28.75 28.90 3mhh h GLU 454 CO -0.08 1.40 0.29 0.28 -1.16 0.00 0.00 179.01 179.75 3mhh h VAL 455 N 0.12 0.60 0.00 3.13 2.07 -0.97 -1.14 116.25 120.07 3mhh h VAL 455 Ca -0.29 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3mhh h VAL 455 Cb 2.14 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3mhh h VAL 455 CO 0.24 0.07 0.00 -0.07 0.02 0.00 0.00 177.57 177.83 3mhh h LEU 456 N 0.41 0.00 -0.19 2.57 3.38 -1.20 -1.35 115.31 118.92 3mhh h LEU 456 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3mhh h LEU 456 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3mhh h LEU 456 CO -0.44 0.00 -0.31 0.29 0.09 0.00 0.00 178.44 178.07 3mhh n LYS 457 N -2.30 0.37 -1.66 1.13 5.02 -0.43 -4.77 118.16 115.51 3mhh n LYS 457 Ca 0.01 -0.19 -0.35 0.00 -2.02 0.00 0.00 58.31 55.76 3mhh n LYS 457 Cb 0.17 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.75 3mhh n LYS 457 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3mhh s GLU 458 N -2.76 2.46 -0.63 1.97 0.41 -0.51 -4.95 118.70 114.70 3mhh s GLU 458 Ca 0.18 1.82 -0.23 0.00 -0.41 0.00 0.00 54.97 56.33 3mhh s GLU 458 Cb 0.19 -1.87 0.06 0.00 -1.78 0.00 0.00 34.13 30.73 3mhh s GLU 458 CO 0.59 -1.60 0.95 -1.14 -0.49 0.00 0.00 175.26 173.57 3mhh s GLN 459 N -3.66 3.16 0.24 1.61 0.74 -1.26 -4.77 119.66 115.71 3mhh s GLN 459 Ca 0.76 -0.70 -0.30 0.00 0.05 0.00 0.00 55.36 55.17 3mhh s GLN 459 Cb -0.31 -4.18 -0.09 0.00 1.10 0.00 0.00 33.01 29.53 3mhh s GLN 459 CO 0.41 -1.72 1.05 0.00 -0.55 0.00 0.00 175.29 174.47 3mhh s ALA 460 N 4.00 3.37 -0.05 1.58 0.00 -1.26 -4.12 121.76 125.29 3mhh s ALA 460 Ca 0.24 0.78 -0.08 0.00 0.00 0.00 0.00 51.96 52.91 3mhh s ALA 460 Cb -0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3mhh s ALA 460 CO 0.12 -0.06 -0.16 0.98 0.00 0.00 0.00 175.76 176.65 3mhh n TYR 461 N 1.62 0.00 -4.40 0.00 9.36 0.29 -4.74 117.16 119.29 3mhh n TYR 461 Ca -0.00 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.90 3mhh n TYR 461 Cb 0.46 -0.28 -0.10 0.00 -0.63 0.00 0.00 39.34 38.79 3mhh n TYR 461 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 3mhh s LEU 462 N -7.21 3.15 -0.05 2.98 1.43 -0.95 -0.54 118.68 117.49 3mhh s LEU 462 Ca -0.14 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3mhh s LEU 462 Cb 0.03 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3mhh s LEU 462 CO 0.20 0.26 -0.15 -0.76 0.23 0.00 0.00 176.35 176.12 3mhh s LEU 463 N -1.62 1.83 -0.24 1.79 1.43 0.41 -1.69 118.68 120.58 3mhh s LEU 463 Ca 0.18 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 3mhh s LEU 463 Cb -0.11 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 3mhh s LEU 463 CO 0.09 0.11 0.00 -0.36 0.23 0.00 0.00 176.35 176.42 3mhh s PHE 464 N 0.25 3.03 -0.08 0.29 0.08 -0.08 -1.02 117.98 120.45 3mhh s PHE 464 Ca -0.07 -0.90 0.04 0.00 0.12 0.00 0.00 56.93 56.11 3mhh s PHE 464 Cb -0.13 -2.16 -0.01 0.00 -0.57 0.00 0.00 43.02 40.16 3mhh s PHE 464 CO 0.03 -0.53 -0.20 0.71 -0.10 0.00 0.00 175.22 175.13 3mhh s TYR 465 N 1.50 2.60 -0.06 0.36 2.02 -0.19 -0.67 117.35 122.90 3mhh s TYR 465 Ca 0.05 -0.63 0.02 0.00 -0.37 0.00 0.00 57.07 56.15 3mhh s TYR 465 Cb -0.15 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 3mhh s TYR 465 CO -0.01 -0.16 -0.11 -0.08 -1.57 0.00 0.00 175.55 173.62 3mhh s THR 466 N -0.09 3.32 0.21 -0.71 -1.32 0.41 -0.06 115.64 117.40 3mhh s THR 466 Ca -0.04 -0.62 -0.30 0.00 -1.21 0.00 0.00 61.69 59.51 3mhh s THR 466 Cb -0.14 -2.33 -0.09 0.00 -1.51 0.00 0.00 72.50 68.43 3mhh s THR 466 CO 0.04 0.59 1.42 -0.51 -2.21 0.00 0.00 174.62 173.96 3mhh s ILE 467 N -0.76 2.87 0.00 5.08 1.10 -0.33 0.76 121.20 129.92 3mhh s ILE 467 Ca 0.12 0.69 0.00 0.00 -0.51 0.00 0.00 60.65 60.95 3mhh s ILE 467 Cb -0.11 -3.44 0.00 0.00 0.15 0.00 0.00 42.46 39.06 3mhh s ILE 467 CO 0.01 0.09 0.00 -1.14 -2.11 0.00 0.00 174.94 171.79 3mhh n ARG 468 N 2.87 0.39 -3.74 3.50 3.00 -0.03 -4.81 116.66 117.83 3mhh n ARG 468 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.81 3mhh n ARG 468 Cb 0.41 -0.84 -0.11 0.00 0.00 0.00 0.00 32.46 31.91 3mhh n ARG 468 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3mhh s GLN 469 N -1.68 0.33 -0.18 -0.14 0.74 -0.53 -5.01 119.66 113.19 3mhh s GLN 469 Ca 0.00 0.52 -0.02 0.00 0.05 0.00 0.00 55.36 55.91 3mhh s GLN 469 Cb 0.00 0.07 0.05 0.00 1.10 0.00 0.00 33.01 34.23 3mhh s GLN 469 CO 0.00 -0.09 0.00 0.08 -0.55 0.00 0.00 175.29 174.73 3mhh s VAL 470 N 0.65 0.76 -2.45 1.34 1.01 -1.26 0.06 120.40 120.50 3mhh s VAL 470 Ca -0.04 -0.57 0.28 0.00 0.00 0.00 0.00 61.98 61.66 3mhh s VAL 470 Cb -0.05 -1.12 0.58 0.00 0.00 0.00 0.00 36.38 35.79 3mhh s VAL 470 CO -0.04 -0.06 1.79 0.59 0.00 0.00 0.00 175.10 177.38