#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hba s THR 3 N 0.00 1.51 -0.36 4.28 -4.23 -1.26 -5.03 115.64 110.55 3hba s THR 3 Ca 0.00 -2.15 0.09 0.00 -1.18 0.00 0.00 61.69 58.45 3hba s THR 3 Cb 0.00 -2.03 0.67 0.00 1.34 0.00 0.00 72.50 72.48 3hba s THR 3 CO 0.00 -0.61 1.70 -0.46 -0.54 0.00 0.00 174.62 174.71 3hba n ASN 4 N -0.34 4.57 -4.79 3.99 6.94 -1.26 -4.83 115.26 119.54 3hba n ASN 4 Ca -0.08 -3.08 -0.34 0.00 -0.02 0.00 0.00 54.58 51.06 3hba n ASN 4 Cb 0.61 -0.72 0.01 0.00 -2.36 0.00 0.00 39.78 37.31 3hba n ASN 4 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3hba s THR 5 N -2.72 3.53 0.00 5.53 -4.23 -1.26 -4.92 115.64 111.57 3hba s THR 5 Ca 0.49 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.82 3hba s THR 5 Cb 0.39 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3hba s THR 5 CO 0.12 -0.34 0.43 -0.38 -0.54 0.00 0.00 174.62 173.91 3hba n ILE 6 N -1.75 0.43 0.00 2.99 5.41 -1.26 -1.76 119.36 123.42 3hba n ILE 6 Ca 0.10 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.77 3hba n ILE 6 Cb 0.52 -0.94 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 3hba n ILE 6 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3hba n GLU 8 N 1.49 0.00 -0.13 0.38 2.13 -1.26 -1.30 120.64 121.95 3hba n GLU 8 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 3hba n GLU 8 Cb 0.13 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.86 3hba n GLU 8 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3hba h GLN 9 N 0.00 0.46 -0.43 5.31 4.20 -1.66 0.11 115.11 123.10 3hba h GLN 9 Ca 0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3hba h GLN 9 Cb 0.00 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3hba h GLN 9 CO 0.00 0.30 0.14 0.93 -0.67 0.00 0.00 178.83 179.53 3hba h GLU 10 N 0.47 0.67 -0.65 1.46 5.08 -1.49 -2.36 114.58 117.76 3hba h GLU 10 Ca 0.16 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3hba h GLU 10 Cb 0.02 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3hba h GLU 10 CO -0.08 0.65 0.42 0.00 -1.00 0.00 0.00 179.01 179.00 3hba h ALA 11 N 0.99 0.84 0.00 3.43 0.00 -1.70 -2.29 119.26 120.53 3hba h ALA 11 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hba h ALA 11 Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hba h ALA 11 CO -0.01 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.45 3hba h ARG 12 N 0.84 0.00 0.00 0.00 3.08 -0.76 -2.72 114.38 114.82 3hba h ARG 12 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3hba h ARG 12 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3hba h ARG 12 CO -0.08 0.00 -0.20 0.25 -1.07 0.00 0.00 179.97 178.87 3hba n THR 13 N -3.03 0.35 -0.18 2.04 -2.24 -0.88 -4.41 114.28 105.92 3hba n THR 13 Ca 0.01 -0.19 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 3hba n THR 13 Cb 0.35 -0.38 0.09 0.00 -2.10 0.00 0.00 70.33 68.29 3hba n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hba h ALA 14 N 2.67 0.67 -0.55 6.98 0.00 -1.24 -1.52 119.26 126.27 3hba h ALA 14 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hba h ALA 14 Cb 0.66 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3hba h ALA 14 CO 0.00 -0.24 0.35 -1.35 0.00 0.00 0.00 179.25 178.01 3hba h PRO 15 N 0.33 0.68 -0.34 0.00 0.11 -1.80 0.65 132.00 131.63 3hba h PRO 15 Ca 0.28 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.17 3hba h PRO 15 Cb 0.35 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 3hba h PRO 15 CO -0.31 0.45 -0.47 0.37 -0.21 0.00 0.00 178.00 177.84 3hba h GLN 16 N 0.70 0.92 -0.61 1.05 5.75 -1.83 -1.07 115.11 120.01 3hba h GLN 16 Ca 0.21 -0.53 -0.05 0.00 -0.15 0.00 0.00 58.65 58.13 3hba h GLN 16 Cb -0.03 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 3hba h GLN 16 CO -0.07 1.18 0.18 0.87 -2.65 0.00 0.00 178.83 178.33 3hba h LYS 17 N 0.72 0.93 -0.11 1.69 1.79 -0.98 -1.19 116.57 119.42 3hba h LYS 17 Ca 0.04 -0.19 -0.20 0.00 -2.18 0.00 0.00 60.65 58.12 3hba h LYS 17 Cb 1.07 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 3hba h LYS 17 CO 0.11 0.81 -0.76 0.82 -1.08 0.00 0.00 179.45 179.34 3hba h ILE 18 N 0.90 1.33 -0.37 1.86 2.04 -0.80 -0.49 117.51 121.98 3hba h ILE 18 Ca 0.20 -2.08 0.03 0.00 1.00 0.00 0.00 64.86 64.01 3hba h ILE 18 Cb 0.28 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 3hba h ILE 18 CO -0.01 0.64 0.16 0.00 0.00 0.00 0.00 178.15 178.95 3hba h ALA 19 N 0.76 0.45 -0.82 1.87 0.00 -0.84 -0.28 119.26 120.40 3hba h ALA 19 Ca -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hba h ALA 19 Cb 1.37 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 3hba h ALA 19 CO 0.14 -0.22 0.44 0.93 0.00 0.00 0.00 179.25 180.54 3hba h GLU 20 N 0.34 1.14 0.02 0.00 5.08 -1.09 -2.11 114.58 117.96 3hba h GLU 20 Ca 0.16 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hba h GLU 20 Cb 0.10 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3hba h GLU 20 CO -0.13 0.85 -0.01 0.37 -1.00 0.00 0.00 179.01 179.08 3hba h GLN 21 N 1.15 -0.02 -0.55 2.33 4.15 -0.43 -1.27 115.11 120.47 3hba h GLN 21 Ca 0.29 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.69 3hba h GLN 21 Cb 0.04 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 3hba h GLN 21 CO -0.04 0.05 0.26 -0.07 -1.93 0.00 0.00 178.83 177.09 3hba h LEU 22 N -0.09 0.72 0.12 -2.39 3.38 -0.92 0.11 115.31 116.24 3hba h LEU 22 Ca -0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3hba h LEU 22 Cb 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3hba h LEU 22 CO 0.00 0.65 -0.06 0.25 0.09 0.00 0.00 178.44 179.38 3hba h LEU 23 N 0.74 -0.14 -1.65 1.67 5.85 -1.36 -1.35 115.31 119.07 3hba h LEU 23 Ca 0.19 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3hba h LEU 23 Cb 0.13 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3hba h LEU 23 CO -0.02 0.02 -0.12 0.00 -0.34 0.00 0.00 178.44 177.98 3hba h ALA 24 N 0.58 1.71 -0.05 1.25 0.00 -0.95 -2.90 119.26 118.90 3hba h ALA 24 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hba h ALA 24 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hba h ALA 24 CO 0.03 0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.58 3hba n ASN 25 N -4.36 2.74 -0.13 0.00 3.02 0.34 -4.50 115.26 112.36 3hba n ASN 25 Ca -0.02 -1.91 -0.06 0.00 -0.03 0.00 0.00 54.58 52.57 3hba n ASN 25 Cb 0.21 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.40 3hba n ASN 25 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3hba h ASP 26 N 4.24 0.28 -0.10 6.41 3.58 -1.03 -1.10 116.42 128.72 3hba h ASP 26 Ca 0.00 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 3hba h ASP 26 Cb 0.90 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 3hba h ASP 26 CO 0.00 0.21 0.03 0.00 -2.88 0.00 0.00 179.24 176.59 3hba h ALA 27 N 1.23 0.13 -0.51 -0.78 0.00 -1.80 -1.71 119.26 115.82 3hba h ALA 27 Ca 0.18 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3hba h ALA 27 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hba h ALA 27 CO -0.14 -0.25 -0.01 0.97 0.00 0.00 0.00 179.25 179.83 3hba h ILE 28 N -0.04 1.25 -0.08 0.00 2.10 -1.81 -1.95 117.51 116.98 3hba h ILE 28 Ca 0.03 -1.05 -0.20 0.00 1.08 0.00 0.00 64.86 64.72 3hba h ILE 28 Cb 0.23 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 3hba h ILE 28 CO -0.00 0.37 -0.78 0.71 -1.08 0.00 0.00 178.15 177.37 3hba h THR 29 N 0.80 1.36 -0.33 2.19 1.35 -1.23 -0.31 112.91 116.73 3hba h THR 29 Ca 0.15 -2.16 0.06 0.00 -0.55 0.00 0.00 66.41 63.91 3hba h THR 29 Cb 0.49 2.14 -0.05 0.00 -1.73 0.00 0.00 68.15 68.99 3hba h THR 29 CO 0.02 0.65 -0.00 -0.08 -0.25 0.00 0.00 175.52 175.87 3hba h GLU 30 N 0.33 0.09 -0.54 4.72 4.57 -1.09 -0.31 114.58 122.35 3hba h GLU 30 Ca -0.05 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.02 3hba h GLU 30 Cb 1.38 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.93 3hba h GLU 30 CO 0.14 0.06 -0.08 0.77 -1.18 0.00 0.00 179.01 178.72 3hba h SER 31 N 0.09 0.98 -0.52 1.04 0.02 -1.18 -2.58 113.55 111.41 3hba h SER 31 Ca 0.16 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 3hba h SER 31 Cb 0.22 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3hba h SER 31 CO -0.27 1.08 0.28 0.25 -1.14 0.00 0.00 176.83 177.03 3hba h LEU 32 N 0.89 0.67 -0.67 5.07 5.85 -0.76 -1.62 115.31 124.74 3hba h LEU 32 Ca 0.15 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3hba h LEU 32 Cb 0.62 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3hba h LEU 32 CO 0.04 0.56 0.44 1.23 -0.34 0.00 0.00 178.44 180.37 3hba h GLY 33 N 0.84 0.95 0.95 3.75 0.00 -0.68 -0.25 103.07 108.64 3hba h GLY 33 Ca 0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3hba h GLY 33 CO -0.03 0.34 0.17 1.76 0.00 0.00 0.00 176.54 178.78 3hba h SER 34 N 0.90 0.58 -0.54 0.19 0.02 -1.07 -1.60 113.55 112.03 3hba h SER 34 Ca 0.25 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3hba h SER 34 Cb -0.09 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.25 3hba h SER 34 CO -0.06 0.59 0.27 0.58 -1.14 0.00 0.00 176.83 177.06 3hba h VAL 35 N 0.54 0.93 -0.26 2.27 2.07 -0.83 -2.15 116.25 118.82 3hba h VAL 35 Ca 0.14 -0.17 -0.14 0.00 0.82 0.00 0.00 66.70 67.34 3hba h VAL 35 Cb 0.18 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3hba h VAL 35 CO -0.01 0.09 -0.43 -0.07 0.02 0.00 0.00 177.57 177.17 3hba h LEU 36 N 0.51 0.69 -1.22 2.57 3.38 -0.88 -0.19 115.31 120.17 3hba h LEU 36 Ca 0.25 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3hba h LEU 36 Cb 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hba h LEU 36 CO -0.18 1.02 -0.37 0.03 0.09 0.00 0.00 178.44 179.03 3hba h ARG 37 N 0.52 0.00 -0.02 1.13 3.08 -1.18 0.93 114.38 118.85 3hba h ARG 37 Ca 0.04 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 3hba h ARG 37 Cb 0.95 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.02 3hba h ARG 37 CO 0.09 0.37 -0.62 1.49 -1.07 0.00 0.00 179.97 180.23 3hba h GLU 38 N 0.00 0.45 -0.14 0.04 4.57 -0.90 -3.35 114.58 115.26 3hba h GLU 38 Ca -0.00 -0.46 -0.23 0.00 -1.18 0.00 0.00 59.36 57.49 3hba h GLU 38 Cb 0.71 0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.44 3hba h GLU 38 CO 0.05 1.11 -0.80 0.35 -1.18 0.00 0.00 179.01 178.54 3hba h PHE 39 N -0.03 1.04 -5.08 0.92 3.57 -0.91 -3.49 116.94 112.96 3hba h PHE 39 Ca -0.07 -0.47 0.00 0.00 3.53 0.00 0.00 57.97 60.96 3hba h PHE 39 Cb 1.32 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.90 3hba h PHE 39 CO 0.14 1.30 -0.03 1.63 -2.23 0.00 0.00 178.31 179.11 3hba n LYS 40 N -3.92 -1.23 -1.72 1.11 5.02 0.31 -4.89 118.16 112.83 3hba n LYS 40 Ca -0.08 1.42 -0.43 0.00 -2.02 0.00 0.00 58.31 57.21 3hba n LYS 40 Cb 0.76 -5.25 -0.02 0.00 -0.02 0.00 0.00 35.03 30.50 3hba n LYS 40 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3hba n PRO 41 N -1.58 2.57 0.12 1.97 -0.02 -1.26 -4.89 135.00 131.92 3hba n PRO 41 Ca 0.01 0.92 -0.01 0.00 -2.02 0.00 0.00 63.50 62.40 3hba n PRO 41 Cb 0.49 -2.69 0.07 0.00 -0.02 0.00 0.00 33.50 31.35 3hba n PRO 41 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hba h LYS 42 N 5.07 0.00 -2.97 -0.52 1.57 -1.22 -3.47 116.57 115.02 3hba h LYS 42 Ca -0.46 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.35 3hba h LYS 42 Cb 1.23 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.45 3hba h LYS 42 CO 0.82 0.65 0.23 -0.59 -0.57 0.00 0.00 179.45 180.00 3hba s PHE 43 N -3.12 -0.36 0.43 -1.35 -0.12 -1.26 -4.42 117.98 107.78 3hba s PHE 43 Ca 0.01 0.04 0.01 0.00 -0.05 0.00 0.00 56.93 56.94 3hba s PHE 43 Cb 0.10 0.63 -0.00 0.00 -0.63 0.00 0.00 43.02 43.12 3hba s PHE 43 CO 0.76 -1.02 0.02 0.28 -0.05 0.00 0.00 175.22 175.21 3hba n VAL 44 N -0.42 0.00 -3.65 -2.49 0.31 0.38 -1.68 118.33 110.78 3hba n VAL 44 Ca -0.11 -2.11 -0.02 0.00 -0.01 0.00 0.00 64.34 62.09 3hba n VAL 44 Cb 0.62 0.48 -0.05 0.00 -0.91 0.00 0.00 33.84 33.98 3hba n VAL 44 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3hba s ILE 46 N -2.66 -0.79 -0.26 2.52 -1.09 0.12 -0.91 121.20 118.14 3hba s ILE 46 Ca 0.03 0.00 -0.08 0.00 -2.23 0.00 0.00 60.65 58.38 3hba s ILE 46 Cb 0.00 -0.99 -0.03 0.00 -1.58 0.00 0.00 42.46 39.86 3hba s ILE 46 CO 0.02 0.00 0.09 -0.69 -1.23 0.00 0.00 174.94 173.14 3hba s VAL 47 N 2.63 4.50 0.00 2.92 1.01 0.11 -0.77 120.40 130.81 3hba s VAL 47 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3hba s VAL 47 Cb -0.11 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3hba s VAL 47 CO -0.19 0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3hba n GLY 48 N 4.95 2.13 2.27 4.51 0.00 -1.26 -0.57 105.19 117.23 3hba n GLY 48 Ca -0.16 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3hba n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hba n ARG 49 N 0.00 2.50 0.00 1.61 1.74 -1.26 -4.85 116.66 116.40 3hba n ARG 49 Ca 0.00 -3.12 0.00 0.00 -0.77 0.00 0.00 57.85 53.96 3hba n ARG 49 Cb 0.00 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 3hba n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hba n GLY 50 N -0.96 -0.50 0.28 -0.13 0.00 -1.26 -3.57 105.19 99.05 3hba n GLY 50 Ca 0.61 -1.10 0.16 0.00 0.00 0.00 0.00 46.02 45.68 3hba n GLY 50 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hba h SER 51 N 4.82 0.00 0.00 1.61 4.64 -1.91 -2.15 113.55 120.56 3hba h SER 51 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hba h SER 51 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hba h SER 51 CO 0.00 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 174.49 3hba n SER 52 N -3.29 0.88 -4.48 4.97 3.41 -1.23 -4.73 113.62 109.15 3hba n SER 52 Ca -0.01 -1.83 -0.43 0.00 -0.26 0.00 0.00 58.87 56.34 3hba n SER 52 Cb 0.27 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.70 3hba n SER 52 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hba s ASP 53 N -0.12 6.24 0.22 4.04 -1.08 -0.81 -4.92 116.67 120.23 3hba s ASP 53 Ca 0.00 -0.65 -0.05 0.00 -0.52 0.00 0.00 52.55 51.33 3hba s ASP 53 Cb 0.00 -2.26 0.20 0.00 -1.46 0.00 0.00 42.92 39.39 3hba s ASP 53 CO 0.00 -0.71 1.67 0.45 0.52 0.00 0.00 175.17 177.11 3hba h HIS 54 N 8.83 0.96 -0.78 -5.34 3.86 -1.90 -2.11 115.15 118.67 3hba h HIS 54 Ca -0.26 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 58.74 3hba h HIS 54 Cb 1.10 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 29.29 3hba h HIS 54 CO 0.68 0.91 0.36 0.00 0.86 0.00 0.00 177.93 180.74 3hba h ALA 55 N 1.11 1.17 -0.82 2.45 0.00 -1.95 -2.19 119.26 119.03 3hba h ALA 55 Ca 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hba h ALA 55 Cb 0.60 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3hba h ALA 55 CO 0.04 0.62 0.45 0.78 0.00 0.00 0.00 179.25 181.14 3hba h GLY 56 N 1.14 1.22 0.96 0.00 0.00 -1.82 0.41 103.07 104.98 3hba h GLY 56 Ca 0.27 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3hba h GLY 56 CO -0.03 0.53 0.19 -2.08 0.00 0.00 0.00 176.54 175.15 3hba h VAL 57 N 1.14 1.20 -0.57 4.60 2.07 -0.84 -1.26 116.25 122.60 3hba h VAL 57 Ca 0.29 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3hba h VAL 57 Cb 0.03 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3hba h VAL 57 CO -0.05 0.23 0.37 0.15 0.02 0.00 0.00 177.57 178.29 3hba h PHE 58 N 0.59 0.72 -0.59 1.57 3.57 -0.97 -2.50 116.94 119.33 3hba h PHE 58 Ca 0.15 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.67 3hba h PHE 58 Cb 0.17 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3hba h PHE 58 CO -0.00 0.46 0.39 0.00 -2.23 0.00 0.00 178.31 176.93 3hba h ALA 59 N 1.20 1.58 0.17 2.41 0.00 -0.56 -0.45 119.26 123.62 3hba h ALA 59 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hba h ALA 59 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3hba h ALA 59 CO -0.04 0.39 -0.15 -0.22 0.00 0.00 0.00 179.25 179.22 3hba h LYS 60 N 0.80 -0.34 -0.50 0.00 3.64 -0.78 -0.48 116.57 118.91 3hba h LYS 60 Ca 0.22 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3hba h LYS 60 Cb -0.08 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3hba h LYS 60 CO -0.05 -0.22 0.22 1.88 -2.27 0.00 0.00 179.45 179.01 3hba h TYR 61 N -0.35 0.74 0.26 1.91 0.05 -1.30 -2.07 116.97 116.21 3hba h TYR 61 Ca -0.00 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.73 3hba h TYR 61 Cb 0.32 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 3hba h TYR 61 CO -0.12 0.60 -0.27 1.25 -1.05 0.00 0.00 178.16 178.57 3hba h LEU 62 N 0.67 -0.72 -0.10 3.88 5.85 -0.74 -0.76 115.31 123.39 3hba h LEU 62 Ca 0.17 0.07 -0.23 0.00 0.84 0.00 0.00 57.88 58.73 3hba h LEU 62 Cb 0.15 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3hba h LEU 62 CO -0.02 -0.39 -1.02 -0.26 -0.34 0.00 0.00 178.44 176.42 3hba h PHE 63 N -0.56 0.37 -0.25 1.25 0.04 -1.10 -0.52 116.94 116.16 3hba h PHE 63 Ca -0.01 -0.23 -0.03 0.00 2.80 0.00 0.00 57.97 60.51 3hba h PHE 63 Cb 0.52 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 3hba h PHE 63 CO -0.17 1.10 0.05 0.93 -0.60 0.00 0.00 178.31 179.62 3hba h GLU 64 N 0.10 0.40 0.03 1.51 5.08 -1.39 0.61 114.58 120.92 3hba h GLU 64 Ca -0.07 -0.10 -0.23 0.00 -1.00 0.00 0.00 59.36 57.95 3hba h GLU 64 Cb 1.70 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.92 3hba h GLU 64 CO 0.16 0.52 -0.93 0.82 -1.00 0.00 0.00 179.01 178.58 3hba h ILE 65 N 0.22 1.34 0.07 3.13 2.04 -1.11 -1.57 117.51 121.64 3hba h ILE 65 Ca 0.08 -2.25 -0.29 0.00 1.00 0.00 0.00 64.86 63.41 3hba h ILE 65 Cb 0.30 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 3hba h ILE 65 CO 0.00 0.68 -1.47 -0.33 0.00 0.00 0.00 178.15 177.03 3hba h GLU 66 N 0.17 0.15 -0.00 2.37 4.39 -1.18 -3.39 114.58 117.10 3hba h GLU 66 Ca -0.12 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3hba h GLU 66 Cb 1.61 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.36 3hba h GLU 66 CO 0.18 0.97 -0.40 0.00 -1.16 0.00 0.00 179.01 178.61 3hba n ALA 67 N -2.59 3.20 -2.18 3.43 0.00 0.16 -4.98 120.51 117.56 3hba n ALA 67 Ca -0.14 -0.36 -0.18 0.00 0.00 0.00 0.00 53.44 52.76 3hba n ALA 67 Cb 1.02 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 3hba n ALA 67 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hba n SER 68 N -0.84 -5.14 -4.43 0.00 7.64 -0.59 -4.97 113.62 105.29 3hba n SER 68 Ca 0.03 0.16 -0.34 0.00 1.01 0.00 0.00 58.87 59.73 3hba n SER 68 Cb 0.20 -4.38 -0.13 0.00 -1.01 0.00 0.00 64.21 58.89 3hba n SER 68 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hba s ILE 69 N -2.81 3.53 0.22 0.44 -1.09 -1.20 -4.98 121.20 115.32 3hba s ILE 69 Ca 0.00 -0.48 -0.32 0.00 -2.23 0.00 0.00 60.65 57.62 3hba s ILE 69 Cb 0.00 -2.53 -0.13 0.00 -1.58 0.00 0.00 42.46 38.22 3hba s ILE 69 CO 0.00 0.50 1.62 -0.81 -1.23 0.00 0.00 174.94 175.02 3hba n PRO 70 N 3.66 2.52 -4.65 2.79 -0.04 -1.26 -3.61 135.00 134.42 3hba n PRO 70 Ca -0.18 0.91 -0.23 0.00 -0.04 0.00 0.00 63.50 63.96 3hba n PRO 70 Cb 0.52 -2.70 -0.15 0.00 -0.04 0.00 0.00 33.50 31.13 3hba n PRO 70 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hba s THR 71 N 0.68 1.13 0.20 0.52 2.01 -1.26 -0.47 115.64 118.45 3hba s THR 71 Ca 0.72 -0.58 -0.16 0.00 0.31 0.00 0.00 61.69 61.98 3hba s THR 71 Cb -0.56 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.00 3hba s THR 71 CO 0.40 0.33 0.49 0.72 -0.69 0.00 0.00 174.62 175.87 3hba s PHE 72 N -0.09 -0.01 0.01 4.92 -0.71 -0.09 -4.80 117.98 117.21 3hba s PHE 72 Ca 0.01 -0.34 -0.17 0.00 -1.04 0.00 0.00 56.93 55.39 3hba s PHE 72 Cb -0.08 0.33 -0.06 0.00 -1.21 0.00 0.00 43.02 42.00 3hba s PHE 72 CO 0.00 -0.91 0.48 0.00 -1.34 0.00 0.00 175.22 173.45 3hba s ALA 73 N -3.90 3.63 0.57 1.99 0.00 -1.26 0.16 121.76 122.95 3hba s ALA 73 Ca 0.11 -0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.78 3hba s ALA 73 Cb -0.01 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 3hba s ALA 73 CO -0.01 0.39 1.06 0.00 0.00 0.00 0.00 175.76 177.20 3hba s ALA 74 N -0.87 2.75 -0.41 0.00 0.00 0.05 -4.86 121.76 118.43 3hba s ALA 74 Ca 0.26 0.47 -0.14 0.00 0.00 0.00 0.00 51.96 52.55 3hba s ALA 74 Cb -0.18 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.73 3hba s ALA 74 CO 0.15 -0.72 0.29 0.00 0.00 0.00 0.00 175.76 175.48 3hba s ALA 75 N -2.31 3.44 0.26 0.00 0.00 -1.26 -4.00 121.76 117.89 3hba s ALA 75 Ca 0.65 -1.79 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 3hba s ALA 75 Cb -0.17 -2.84 0.54 0.00 0.00 0.00 0.00 23.12 20.66 3hba s ALA 75 CO 0.33 -1.49 1.73 -1.35 0.00 0.00 0.00 175.76 174.98 3hba h PRO 76 N 8.59 0.47 -0.75 0.00 0.11 -1.94 -1.65 132.00 136.84 3hba h PRO 76 Ca -0.27 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.96 3hba h PRO 76 Cb 1.11 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 3hba h PRO 76 CO 0.74 0.31 0.50 0.66 -0.21 0.00 0.00 178.00 180.00 3hba h SER 77 N 0.49 0.40 -0.77 -2.05 4.64 -1.96 -0.35 113.55 113.94 3hba h SER 77 Ca 0.46 0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.88 3hba h SER 77 Cb 0.73 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.70 3hba h SER 77 CO -0.42 0.21 0.44 0.58 -0.87 0.00 0.00 176.83 176.77 3hba h VAL 78 N 0.43 0.96 0.01 0.95 2.07 -1.70 0.80 116.25 119.76 3hba h VAL 78 Ca 0.36 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 3hba h VAL 78 Cb 0.82 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3hba h VAL 78 CO -0.12 0.14 -0.00 0.00 0.02 0.00 0.00 177.57 177.61 3hba h ALA 79 N 1.40 -0.01 0.11 1.67 0.00 -1.36 -1.29 119.26 119.79 3hba h ALA 79 Ca 0.35 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3hba h ALA 79 Cb 0.25 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hba h ALA 79 CO -0.21 -0.05 -0.64 0.66 0.00 0.00 0.00 179.25 179.01 3hba h SER 80 N -0.91 0.37 0.03 0.00 4.64 -1.05 -2.82 113.55 113.81 3hba h SER 80 Ca -0.00 -0.97 -0.27 0.00 -0.47 0.00 0.00 61.79 60.08 3hba h SER 80 Cb 0.84 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 3hba h SER 80 CO 0.00 1.31 -1.48 0.52 -0.87 0.00 0.00 176.83 176.32 3hba n VAL 81 N -4.23 1.60 0.96 0.95 0.31 0.08 -4.28 118.33 113.73 3hba n VAL 81 Ca -0.13 -0.20 0.13 0.00 -0.01 0.00 0.00 64.34 64.13 3hba n VAL 81 Cb 0.75 -1.96 0.44 0.00 -0.91 0.00 0.00 33.84 32.16 3hba n VAL 81 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3hba n TYR 82 N -4.18 0.06 -2.42 3.52 4.01 -0.10 -4.95 117.16 113.10 3hba n TYR 82 Ca -0.32 0.02 -0.15 0.00 -0.16 0.00 0.00 57.90 57.28 3hba n TYR 82 Cb 0.78 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 3hba n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hba n GLY 83 N 1.48 -0.23 3.87 2.72 0.00 -1.07 -4.98 105.19 106.98 3hba n GLY 83 Ca 0.06 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3hba n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hba s LYS 84 N -4.92 3.78 -0.23 1.61 -0.14 -0.50 -5.00 119.74 114.34 3hba s LYS 84 Ca 0.06 0.20 -0.02 0.00 -1.36 0.00 0.00 55.97 54.85 3hba s LYS 84 Cb -0.03 -2.97 0.02 0.00 -1.68 0.00 0.00 37.83 33.17 3hba s LYS 84 CO 0.07 0.53 -0.07 0.99 -0.76 0.00 0.00 175.35 176.12 3hba s THR 85 N -1.44 2.96 0.72 2.17 2.01 -1.26 -4.41 115.64 116.39 3hba s THR 85 Ca 0.35 -0.85 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 3hba s THR 85 Cb -0.14 -2.43 0.03 0.00 0.01 0.00 0.00 72.50 69.96 3hba s THR 85 CO 0.19 0.30 1.11 -0.76 -0.69 0.00 0.00 174.62 174.76 3hba s LEU 86 N 1.37 2.83 -0.60 4.42 1.43 -1.26 -4.99 118.68 121.88 3hba s LEU 86 Ca 0.02 1.06 -0.22 0.00 -1.03 0.00 0.00 54.13 53.97 3hba s LEU 86 Cb -0.16 -3.80 0.07 0.00 0.03 0.00 0.00 46.19 42.33 3hba s LEU 86 CO -0.05 -1.44 0.86 -0.54 0.23 0.00 0.00 176.35 175.40 3hba s LYS 87 N -5.40 3.14 -0.09 1.70 1.02 -1.26 -4.63 119.74 114.21 3hba s LYS 87 Ca 0.59 -0.84 0.13 0.00 0.02 0.00 0.00 55.97 55.88 3hba s LYS 87 Cb -0.11 -4.18 0.21 0.00 -0.52 0.00 0.00 37.83 33.22 3hba s LYS 87 CO 0.51 -1.61 1.11 1.28 -0.92 0.00 0.00 175.35 175.72 3hba n LEU 88 N 7.16 2.27 -4.61 3.17 4.77 -1.15 -5.04 117.00 123.57 3hba n LEU 88 Ca -0.04 -2.77 -0.50 0.00 -0.03 0.00 0.00 56.01 52.67 3hba n LEU 88 Cb 0.45 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3hba n LEU 88 CO 0.61 0.65 0.94 0.00 -1.33 0.00 0.00 177.39 178.26 3hba n ALA 89 N -1.15 -0.28 -0.99 -1.18 0.00 -1.06 -1.32 120.51 114.53 3hba n ALA 89 Ca 0.11 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3hba n ALA 89 Cb 0.53 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3hba n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hba n GLY 90 N 2.60 0.74 3.90 0.00 0.00 -1.26 -4.93 105.19 106.25 3hba n GLY 90 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 3hba n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hba s GLY 91 N -2.00 1.52 -0.19 -0.02 0.00 -0.43 -0.64 107.32 105.56 3hba s GLY 91 Ca 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 44.72 43.47 3hba s GLY 91 CO 0.00 -1.20 0.06 -2.27 0.00 0.00 0.00 173.10 169.69 3hba s LEU 92 N -3.51 3.72 -0.15 0.66 2.96 -0.68 -1.49 118.68 120.20 3hba s LEU 92 Ca 0.33 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 54.25 3hba s LEU 92 Cb -0.10 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 3hba s LEU 92 CO 0.27 0.15 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.67 3hba s VAL 93 N 0.53 3.44 -0.27 1.68 1.01 -0.21 -4.19 120.40 122.40 3hba s VAL 93 Ca 0.03 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 3hba s VAL 93 Cb -0.13 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.80 3hba s VAL 93 CO 0.01 0.50 -0.04 -0.63 0.00 0.00 0.00 175.10 174.95 3hba s ILE 94 N 0.42 2.94 -0.11 2.22 1.01 -1.26 -0.77 121.20 125.66 3hba s ILE 94 Ca -0.07 -1.14 -0.22 0.00 0.00 0.00 0.00 60.65 59.23 3hba s ILE 94 Cb -0.15 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 3hba s ILE 94 CO 0.04 0.09 0.64 -0.69 0.00 0.00 0.00 174.94 175.02 3hba s VAL 95 N 1.31 5.07 -0.21 2.92 1.01 0.77 -0.71 120.40 130.56 3hba s VAL 95 Ca -0.02 1.29 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 3hba s VAL 95 Cb -0.18 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.24 3hba s VAL 95 CO -0.03 0.24 -0.12 -0.63 0.00 0.00 0.00 175.10 174.56 3hba s ILE 96 N 1.01 2.67 -0.29 2.22 1.01 0.27 0.09 121.20 128.18 3hba s ILE 96 Ca 0.33 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 3hba s ILE 96 Cb -0.17 -2.21 0.13 0.00 0.01 0.00 0.00 42.46 40.22 3hba s ILE 96 CO 0.15 0.44 0.74 -0.55 0.00 0.00 0.00 174.94 175.71 3hba s SER 97 N 1.36 -0.96 0.10 3.58 0.15 -0.79 -4.50 113.70 112.65 3hba s SER 97 Ca 0.04 1.38 -0.20 0.00 0.70 0.00 0.00 55.95 57.86 3hba s SER 97 Cb -0.14 1.90 -0.09 0.00 -1.71 0.00 0.00 66.02 65.97 3hba s SER 97 CO -0.08 -0.20 1.70 1.56 1.20 0.00 0.00 173.24 177.42 3hba h GLN 98 N 7.52 0.23 0.01 5.44 1.08 -1.95 -3.26 115.11 124.18 3hba h GLN 98 Ca -0.21 -0.03 -0.26 0.00 -1.45 0.00 0.00 58.65 56.70 3hba h GLN 98 Cb 1.14 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.49 3hba h GLN 98 CO 0.12 0.22 -1.41 0.66 -0.95 0.00 0.00 178.83 177.47 3hba h SER 99 N 0.17 0.04 -1.27 1.46 4.64 -1.94 -0.69 113.55 115.96 3hba h SER 99 Ca 0.06 -0.06 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 3hba h SER 99 Cb 0.06 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 3hba h SER 99 CO -0.01 1.05 -0.27 0.61 -0.87 0.00 0.00 176.83 177.34 3hba n GLY 100 N 1.49 0.41 0.00 -0.77 0.00 -1.23 -4.56 105.19 100.53 3hba n GLY 100 Ca -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3hba n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hba n ARG 101 N -2.33 2.59 -1.66 1.61 1.74 -1.26 -2.86 116.66 114.49 3hba n ARG 101 Ca -0.13 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.49 3hba n ARG 101 Cb 0.53 -0.78 -0.03 0.00 -1.02 0.00 0.00 32.46 31.15 3hba n ARG 101 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3hba n SER 102 N -0.86 2.71 -0.10 0.55 2.88 -1.26 -4.86 113.62 112.68 3hba n SER 102 Ca 0.00 1.13 0.01 0.00 -1.33 0.00 0.00 58.87 58.68 3hba n SER 102 Cb 0.00 -1.41 0.30 0.00 -0.75 0.00 0.00 64.21 62.35 3hba n SER 102 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3hba h PRO 103 N 4.50 0.74 -0.01 -1.46 0.11 -1.99 -1.05 132.00 132.84 3hba h PRO 103 Ca -0.45 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 3hba h PRO 103 Cb 1.28 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3hba h PRO 103 CO 0.78 0.57 -0.41 -0.44 -0.21 0.00 0.00 178.00 178.28 3hba h ASP 104 N 0.75 0.02 -0.11 -2.05 5.19 -1.99 -0.67 116.42 117.55 3hba h ASP 104 Ca 0.19 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.49 3hba h ASP 104 Cb 0.06 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.57 3hba h ASP 104 CO -0.03 0.43 -0.34 0.40 -3.12 0.00 0.00 179.24 176.58 3hba h ILE 105 N 0.02 1.38 -0.41 0.35 1.08 -1.70 -2.78 117.51 115.45 3hba h ILE 105 Ca -0.00 -1.66 -0.08 0.00 -0.39 0.00 0.00 64.86 62.73 3hba h ILE 105 Cb 0.74 2.15 -0.02 0.00 -3.07 0.00 0.00 36.82 36.62 3hba h ILE 105 CO 0.05 0.49 -0.06 -0.07 -0.69 0.00 0.00 178.15 177.87 3hba h LEU 106 N -0.00 0.67 -0.54 1.44 3.38 -1.05 -0.79 115.31 118.41 3hba h LEU 106 Ca -0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3hba h LEU 106 Cb 0.96 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3hba h LEU 106 CO 0.07 0.78 0.21 0.00 0.09 0.00 0.00 178.44 179.59 3hba h ALA 107 N 1.29 0.70 -0.47 1.53 0.00 -1.18 -1.40 119.26 119.74 3hba h ALA 107 Ca 0.12 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3hba h ALA 107 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hba h ALA 107 CO 0.03 0.33 -0.01 1.96 0.00 0.00 0.00 179.25 181.55 3hba h GLN 108 N 0.74 0.84 -0.18 0.00 4.20 -1.17 -3.07 115.11 116.46 3hba h GLN 108 Ca 0.18 -0.27 0.03 0.00 0.06 0.00 0.00 58.65 58.64 3hba h GLN 108 Cb 0.22 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 3hba h GLN 108 CO -0.01 0.89 0.02 0.00 -0.67 0.00 0.00 178.83 179.06 3hba h ALA 109 N 0.91 0.17 0.00 3.87 0.00 -0.98 -0.39 119.26 122.85 3hba h ALA 109 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hba h ALA 109 Cb 0.52 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hba h ALA 109 CO 0.03 -0.42 0.00 0.54 0.00 0.00 0.00 179.25 179.40 3hba n ARG 110 N -5.10 0.00 0.00 0.00 1.74 -0.54 -1.19 116.66 111.56 3hba n ARG 110 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3hba n ARG 110 Cb 0.09 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3hba n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hba n ALA 112 N 0.53 0.00 -0.08 7.54 0.00 -0.16 -1.02 120.51 127.33 3hba n ALA 112 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3hba n ALA 112 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3hba n ALA 112 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hba h LYS 113 N 0.00 0.39 0.00 0.00 1.79 -1.41 -2.30 116.57 115.04 3hba h LYS 113 Ca 0.00 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 3hba h LYS 113 Cb 0.00 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 3hba h LYS 113 CO 0.00 0.42 -0.16 -0.91 -1.08 0.00 0.00 179.45 177.72 3hba h ASN 114 N 0.28 0.00 -0.00 0.86 2.35 -1.33 -2.34 115.58 115.39 3hba h ASN 114 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3hba h ASN 114 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3hba h ASN 114 CO -0.01 0.16 0.00 0.00 -1.65 0.00 0.00 177.43 175.93 3hba n ALA 115 N -2.41 2.66 -0.75 -0.83 0.00 -0.91 -4.90 120.51 113.37 3hba n ALA 115 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3hba n ALA 115 Cb 0.24 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3hba n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hba n GLY 116 N 0.93 0.69 3.78 0.00 0.00 -0.88 -2.55 105.19 107.16 3hba n GLY 116 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3hba n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hba s ALA 117 N -2.38 2.74 -0.07 4.61 0.00 -0.92 -4.26 121.76 121.48 3hba s ALA 117 Ca 0.00 0.68 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 3hba s ALA 117 Cb 0.00 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 3hba s ALA 117 CO 0.00 -0.66 0.95 0.12 0.00 0.00 0.00 175.76 176.17 3hba s PHE 118 N -1.96 3.57 -0.18 0.00 5.36 -0.55 -4.62 117.98 119.59 3hba s PHE 118 Ca 0.69 1.57 -0.01 0.00 -0.96 0.00 0.00 56.93 58.22 3hba s PHE 118 Cb -0.20 -3.11 0.00 0.00 -0.34 0.00 0.00 43.02 39.38 3hba s PHE 118 CO 0.27 -0.11 -0.13 0.00 -1.46 0.00 0.00 175.22 173.78 3hba s VAL 120 N 1.15 2.89 -0.12 0.00 1.01 0.05 -0.79 120.40 124.59 3hba s VAL 120 Ca 0.01 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3hba s VAL 120 Cb -0.14 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.11 3hba s VAL 120 CO -0.05 0.58 -0.22 0.00 0.00 0.00 0.00 175.10 175.41 3hba s ALA 121 N -0.48 2.23 -0.40 5.51 0.00 -0.22 -0.16 121.76 128.24 3hba s ALA 121 Ca 0.06 -1.02 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 3hba s ALA 121 Cb -0.12 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.09 3hba s ALA 121 CO 0.02 0.14 0.45 -0.51 0.00 0.00 0.00 175.76 175.85 3hba s LEU 122 N 0.57 4.68 -0.01 0.00 1.02 0.11 -0.59 118.68 124.46 3hba s LEU 122 Ca -0.13 -0.48 -0.04 0.00 0.02 0.00 0.00 54.13 53.50 3hba s LEU 122 Cb -0.17 -2.44 -0.00 0.00 0.02 0.00 0.00 46.19 43.61 3hba s LEU 122 CO 0.04 -0.54 0.08 0.68 0.02 0.00 0.00 176.35 176.63 3hba s VAL 123 N 2.21 0.06 -0.05 -1.59 -7.23 -1.16 -1.88 120.40 110.76 3hba s VAL 123 Ca 0.14 -0.52 -0.04 0.00 -1.81 0.00 0.00 61.98 59.75 3hba s VAL 123 Cb -0.16 -0.29 -0.27 0.00 0.56 0.00 0.00 36.38 36.21 3hba s VAL 123 CO 0.14 -0.29 0.65 -1.13 -0.31 0.00 0.00 175.10 174.16 3hba h ASN 124 N 4.93 0.39 -3.25 4.85 -1.24 -1.23 -0.63 115.58 119.40 3hba h ASN 124 Ca -0.29 -0.67 -0.63 0.00 0.71 0.00 0.00 56.30 55.42 3hba h ASN 124 Cb 1.20 -0.13 -0.14 0.00 0.73 0.00 0.00 38.32 39.99 3hba h ASN 124 CO 0.42 1.58 0.41 -0.62 -1.29 0.00 0.00 177.43 177.93 3hba s ASP 125 N -6.94 6.31 0.50 1.15 -1.08 -0.87 -4.61 116.67 111.13 3hba s ASP 125 Ca -0.14 -0.48 0.33 0.00 -0.52 0.00 0.00 52.55 51.74 3hba s ASP 125 Cb 0.07 -2.39 1.45 0.00 -1.46 0.00 0.00 42.92 40.58 3hba s ASP 125 CO 0.83 -1.11 1.97 -0.33 0.52 0.00 0.00 175.17 177.05 3hba h GLU 126 N 9.20 0.00 -0.04 4.34 5.08 -1.93 -2.47 114.58 128.76 3hba h GLU 126 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3hba h GLU 126 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3hba h GLU 126 CO 1.04 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 179.30 3hba n THR 127 N -2.87 0.04 -1.88 1.13 -2.24 -1.26 -4.92 114.28 102.27 3hba n THR 127 Ca 0.00 -0.29 -0.34 0.00 -2.27 0.00 0.00 64.05 61.15 3hba n THR 127 Cb 0.24 0.55 0.04 0.00 -2.10 0.00 0.00 70.33 69.06 3hba n THR 127 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hba s ALA 128 N -1.96 2.49 -0.19 6.98 0.00 -0.93 -4.92 121.76 123.22 3hba s ALA 128 Ca 0.37 0.75 0.28 0.00 0.00 0.00 0.00 51.96 53.35 3hba s ALA 128 Cb 0.20 -3.38 1.23 0.00 0.00 0.00 0.00 23.12 21.18 3hba s ALA 128 CO 0.32 -1.22 1.83 -1.00 0.00 0.00 0.00 175.76 175.69 3hba h PRO 129 N 0.43 0.00 -0.82 0.00 0.13 -1.88 -2.66 132.00 127.20 3hba h PRO 129 Ca -0.48 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.85 3hba h PRO 129 Cb 1.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 3hba h PRO 129 CO 0.54 0.00 0.57 0.97 -0.23 0.00 0.00 178.00 179.85 3hba h ILE 130 N 0.00 0.66 0.00 -3.56 6.09 -1.88 -1.03 117.51 117.79 3hba h ILE 130 Ca 0.00 -0.07 -0.01 0.00 -1.37 0.00 0.00 64.86 63.41 3hba h ILE 130 Cb 0.31 0.44 -0.00 0.00 0.47 0.00 0.00 36.82 38.04 3hba h ILE 130 CO 0.00 0.04 -0.05 0.07 -3.07 0.00 0.00 178.15 175.14 3hba h LYS 131 N 0.20 0.00 -0.01 2.19 2.10 -1.79 -0.24 116.57 119.02 3hba h LYS 131 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 3hba h LYS 131 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3hba h LYS 131 CO -0.09 0.05 -0.03 -0.25 -2.00 0.00 0.00 179.45 177.13 3hba n ASP 132 N -3.91 0.82 -0.09 7.07 8.00 -0.39 -4.27 116.55 123.79 3hba n ASP 132 Ca -0.03 -1.15 -0.18 0.00 0.71 0.00 0.00 54.79 54.14 3hba n ASP 132 Cb 0.14 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 3hba n ASP 132 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3hba n ILE 133 N -0.44 1.04 -1.64 0.53 5.41 -0.16 -5.05 119.36 119.05 3hba n ILE 133 Ca 0.19 -0.21 -0.30 0.00 1.00 0.00 0.00 62.75 63.43 3hba n ILE 133 Cb 0.26 -1.78 0.06 0.00 -0.71 0.00 0.00 39.64 37.48 3hba n ILE 133 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3hba s VAL 134 N -2.36 3.59 0.12 1.39 -7.23 -0.88 -4.95 120.40 110.09 3hba s VAL 134 Ca -0.25 0.52 -0.11 0.00 -1.81 0.00 0.00 61.98 60.32 3hba s VAL 134 Cb 0.09 -3.32 -0.13 0.00 0.56 0.00 0.00 36.38 33.58 3hba s VAL 134 CO 0.32 -0.68 1.35 0.44 -0.31 0.00 0.00 175.10 176.22 3hba h ASP 135 N -0.83 0.93 -4.07 4.85 3.32 -1.30 -3.46 116.42 115.86 3hba h ASP 135 Ca -0.45 -0.57 -0.13 0.00 0.02 0.00 0.00 57.03 55.89 3hba h ASP 135 Cb 1.24 -0.27 -0.24 0.00 0.22 0.00 0.00 39.33 40.28 3hba h ASP 135 CO 0.59 1.37 -0.30 0.54 -1.72 0.00 0.00 179.24 179.73 3hba s VAL 136 N -3.87 0.01 -0.22 -1.35 0.11 -0.97 -5.04 120.40 109.08 3hba s VAL 136 Ca -0.10 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 58.76 3hba s VAL 136 Cb 0.09 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 3hba s VAL 136 CO 0.90 -0.05 0.14 -0.69 -3.33 0.00 0.00 175.10 172.07 3hba s VAL 137 N -0.09 5.34 -0.45 2.04 1.01 -1.26 -1.05 120.40 125.93 3hba s VAL 137 Ca -0.02 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 3hba s VAL 137 Cb -0.03 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 32.95 3hba s VAL 137 CO 0.01 0.39 0.34 -0.63 0.00 0.00 0.00 175.10 175.22 3hba s ILE 138 N 0.73 5.03 0.19 2.22 -1.09 0.24 -4.96 121.20 123.57 3hba s ILE 138 Ca 0.07 -1.03 -0.30 0.00 -2.23 0.00 0.00 60.65 57.16 3hba s ILE 138 Cb -0.12 -3.97 -0.09 0.00 -1.58 0.00 0.00 42.46 36.70 3hba s ILE 138 CO 0.01 -0.50 1.39 -2.84 -1.23 0.00 0.00 174.94 171.77 3hba s PRO 139 N 1.61 4.32 0.26 2.79 0.02 -1.26 -2.99 135.00 139.75 3hba s PRO 139 Ca 0.04 2.16 0.13 0.00 0.02 0.00 0.00 61.00 63.35 3hba s PRO 139 Cb -0.23 -3.18 0.17 0.00 0.02 0.00 0.00 34.50 31.28 3hba s PRO 139 CO 0.06 -0.37 1.49 -0.07 -0.33 0.00 0.00 177.00 177.78 3hba h LEU 140 N 5.67 0.00 -1.05 -5.54 3.38 -1.37 -3.48 115.31 112.93 3hba h LEU 140 Ca -0.44 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.09 3hba h LEU 140 Cb 1.21 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.00 3hba h LEU 140 CO 0.80 0.61 -0.74 0.54 0.09 0.00 0.00 178.44 179.75 3hba n ARG 141 N -3.38 -6.36 0.04 1.13 1.74 -1.26 -4.88 116.66 103.68 3hba n ARG 141 Ca 0.01 0.69 0.12 0.00 -0.77 0.00 0.00 57.85 57.90 3hba n ARG 141 Cb 0.72 -5.61 0.17 0.00 -1.02 0.00 0.00 32.46 26.72 3hba n ARG 141 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hba n ALA 142 N -4.73 3.17 0.00 7.54 0.00 -1.26 -4.79 120.51 120.43 3hba n ALA 142 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3hba n ALA 142 Cb 0.56 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3hba n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hba n GLY 143 N 1.39 -2.14 3.73 0.00 0.00 -1.26 -4.88 105.19 102.03 3hba n GLY 143 Ca 0.04 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 3hba n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hba s GLU 144 N -0.18 4.31 -0.60 1.61 2.12 -1.26 -4.94 118.70 119.76 3hba s GLU 144 Ca 0.00 2.15 -0.15 0.00 0.36 0.00 0.00 54.97 57.33 3hba s GLU 144 Cb 0.00 -3.19 0.15 0.00 0.26 0.00 0.00 34.13 31.35 3hba s GLU 144 CO 0.00 -0.41 0.55 -1.21 -0.54 0.00 0.00 175.26 173.65 3hba s GLU 145 N 0.49 3.09 -0.19 4.30 2.02 -1.26 -4.86 118.70 122.28 3hba s GLU 145 Ca 0.62 -1.87 0.14 0.00 0.02 0.00 0.00 54.97 53.88 3hba s GLU 145 Cb -0.39 -4.31 -0.21 0.00 0.10 0.00 0.00 34.13 29.32 3hba s GLU 145 CO 0.35 -1.32 0.02 1.63 0.02 0.00 0.00 175.26 175.96 3hba n LYS 146 N 4.97 0.93 -1.67 1.61 4.76 -1.26 -5.01 118.16 122.49 3hba n LYS 146 Ca -0.08 0.02 -0.32 0.00 -2.87 0.00 0.00 58.31 55.06 3hba n LYS 146 Cb 0.41 -1.47 0.05 0.00 -1.84 0.00 0.00 35.03 32.18 3hba n LYS 146 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hba s ALA 147 N -2.45 2.56 0.06 7.82 0.00 -1.26 -4.99 121.76 123.50 3hba s ALA 147 Ca -0.13 0.30 -0.08 0.00 0.00 0.00 0.00 51.96 52.06 3hba s ALA 147 Cb 0.06 -3.24 -0.31 0.00 0.00 0.00 0.00 23.12 19.63 3hba s ALA 147 CO 0.72 -1.25 1.10 -0.39 0.00 0.00 0.00 175.76 175.94 3hba h VAL 148 N -0.35 1.44 -3.57 0.00 -1.51 -1.85 -3.42 116.25 106.98 3hba h VAL 148 Ca -0.45 -2.96 -0.61 0.00 -1.23 0.00 0.00 66.70 61.44 3hba h VAL 148 Cb 1.22 2.98 -0.12 0.00 -2.13 0.00 0.00 31.29 33.24 3hba h VAL 148 CO 0.55 0.87 -0.05 0.00 -1.23 0.00 0.00 177.57 177.71 3hba s ALA 149 N -2.64 3.58 0.29 5.19 0.00 -1.26 -5.04 121.76 121.87 3hba s ALA 149 Ca -0.05 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 3hba s ALA 149 Cb 0.06 -2.84 -0.10 0.00 0.00 0.00 0.00 23.12 20.24 3hba s ALA 149 CO 0.90 -0.66 1.13 0.00 0.00 0.00 0.00 175.76 177.14 3hba s ALA 150 N 2.11 3.42 0.00 0.00 0.00 -1.26 -4.93 121.76 121.11 3hba s ALA 150 Ca 0.21 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3hba s ALA 150 Cb -0.16 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3hba s ALA 150 CO 0.09 -0.24 0.00 0.25 0.00 0.00 0.00 175.76 175.86 3hba n THR 151 N 1.14 0.00 -0.30 0.00 -2.24 -1.26 -4.82 114.28 106.80 3hba n THR 151 Ca -0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 3hba n THR 151 Cb 0.44 -0.13 0.32 0.00 -2.10 0.00 0.00 70.33 68.86 3hba n THR 151 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3hba h LYS 152 N 0.00 0.79 0.00 -0.78 2.10 -1.89 -1.44 116.57 115.35 3hba h LYS 152 Ca 0.00 -0.05 -0.10 0.00 -2.00 0.00 0.00 60.65 58.50 3hba h LYS 152 Cb 0.00 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.14 3hba h LYS 152 CO 0.00 0.52 -0.48 0.66 -2.00 0.00 0.00 179.45 178.16 3hba h SER 153 N 0.82 0.00 -0.06 7.07 4.64 -1.91 0.18 113.55 124.29 3hba h SER 153 Ca 0.46 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.73 3hba h SER 153 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3hba h SER 153 CO -0.22 0.48 -0.15 0.22 -0.87 0.00 0.00 176.83 176.29 3hba h TYR 154 N 0.00 0.26 -0.95 4.77 3.20 -1.62 -2.24 116.97 120.39 3hba h TYR 154 Ca -0.00 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.76 3hba h TYR 154 Cb 0.85 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.03 3hba h TYR 154 CO 0.00 0.75 0.58 -0.07 -1.64 0.00 0.00 178.16 177.78 3hba h LEU 155 N -0.31 1.13 -1.35 2.82 3.38 -1.08 -1.68 115.31 118.23 3hba h LEU 155 Ca -0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hba h LEU 155 Cb 0.75 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3hba h LEU 155 CO 0.03 0.86 0.26 0.00 0.09 0.00 0.00 178.44 179.69 3hba h ALA 156 N 1.33 1.50 -0.39 1.53 0.00 -0.69 -0.01 119.26 122.53 3hba h ALA 156 Ca 0.34 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3hba h ALA 156 Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hba h ALA 156 CO -0.07 0.41 0.12 1.15 0.00 0.00 0.00 179.25 180.86 3hba h THR 157 N 0.71 1.22 -0.24 0.00 2.02 -0.69 -2.01 112.91 113.91 3hba h THR 157 Ca 0.18 -0.72 -0.11 0.00 0.77 0.00 0.00 66.41 66.53 3hba h THR 157 Cb 0.05 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3hba h THR 157 CO -0.03 0.25 -0.33 -0.07 0.37 0.00 0.00 175.52 175.72 3hba h LEU 158 N 0.49 0.53 -0.34 2.58 3.38 -0.79 -2.19 115.31 118.96 3hba h LEU 158 Ca 0.13 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3hba h LEU 158 Cb 0.27 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3hba h LEU 158 CO -0.00 0.82 0.01 0.77 0.09 0.00 0.00 178.44 180.12 3hba h SER 159 N 0.44 0.58 -0.58 -0.43 4.64 -0.94 -0.23 113.55 117.02 3hba h SER 159 Ca 0.05 -0.30 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 3hba h SER 159 Cb 0.78 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.68 3hba h SER 159 CO 0.06 0.74 0.36 0.00 -0.87 0.00 0.00 176.83 177.12 3hba h ALA 160 N 0.86 0.75 -0.42 5.18 0.00 -1.27 0.05 119.26 124.41 3hba h ALA 160 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hba h ALA 160 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hba h ALA 160 CO 0.02 0.10 0.27 -0.07 0.00 0.00 0.00 179.25 179.57 3hba h LEU 161 N 0.72 0.48 -0.82 0.00 3.38 -1.17 0.78 115.31 118.68 3hba h LEU 161 Ca 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3hba h LEU 161 Cb -0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3hba h LEU 161 CO -0.09 0.35 0.49 -0.07 0.09 0.00 0.00 178.44 179.21 3hba h LEU 162 N 0.56 1.00 -0.29 1.67 3.38 -0.68 0.10 115.31 121.05 3hba h LEU 162 Ca 0.15 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3hba h LEU 162 Cb -0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3hba h LEU 162 CO -0.03 0.78 -0.07 -0.61 0.09 0.00 0.00 178.44 178.60 3hba h GLN 163 N 1.13 0.56 -0.49 1.13 4.15 -0.58 0.10 115.11 121.12 3hba h GLN 163 Ca 0.29 -0.21 0.06 0.00 0.77 0.00 0.00 58.65 59.57 3hba h GLN 163 Cb -0.03 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.57 3hba h GLN 163 CO -0.05 0.75 0.19 0.28 -1.93 0.00 0.00 178.83 178.06 3hba h VAL 164 N 0.32 0.85 -0.56 2.39 2.07 -0.60 -1.00 116.25 119.72 3hba h VAL 164 Ca 0.07 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3hba h VAL 164 Cb 0.55 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3hba h VAL 164 CO 0.03 0.07 0.28 0.00 0.02 0.00 0.00 177.57 177.97 3hba h ALA 165 N 1.32 0.73 -0.68 1.67 0.00 -0.47 -1.62 119.26 120.20 3hba h ALA 165 Ca 0.23 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hba h ALA 165 Cb 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3hba h ALA 165 CO -0.23 0.28 0.44 0.00 0.00 0.00 0.00 179.25 179.75 3hba h ALA 166 N 1.12 0.87 -0.23 0.00 0.00 -0.48 -0.82 119.26 119.72 3hba h ALA 166 Ca 0.20 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 3hba h ALA 166 Cb 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3hba h ALA 166 CO -0.03 0.26 -0.61 0.87 0.00 0.00 0.00 179.25 179.74 3hba h LYS 167 N 0.89 0.81 0.61 0.00 1.79 -1.05 -0.68 116.57 118.95 3hba h LYS 167 Ca 0.26 -0.57 -0.03 0.00 -2.18 0.00 0.00 60.65 58.13 3hba h LYS 167 Cb -0.07 0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.68 3hba h LYS 167 CO -0.07 1.19 -0.29 2.35 -1.08 0.00 0.00 179.45 181.55 3hba h TRP 168 N 0.57 -0.76 -0.00 -1.35 7.01 -1.23 -3.30 115.95 116.88 3hba h TRP 168 Ca -0.01 -0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.84 3hba h TRP 168 Cb 1.23 0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 28.52 3hba h TRP 168 CO 0.08 -0.43 -0.63 1.79 -2.79 0.00 0.00 178.44 176.46 3hba h THR 169 N -1.09 1.45 -2.65 2.65 1.35 -1.24 -3.45 112.91 109.92 3hba h THR 169 Ca -0.08 -2.16 -0.35 0.00 -0.55 0.00 0.00 66.41 63.26 3hba h THR 169 Cb 0.68 2.16 -0.06 0.00 -1.73 0.00 0.00 68.15 69.20 3hba h THR 169 CO 0.14 0.62 -0.41 0.00 -0.25 0.00 0.00 175.52 175.62 3hba n GLN 170 N -3.79 -1.74 -1.90 4.72 6.02 -0.26 -4.93 117.38 115.50 3hba n GLN 170 Ca -0.01 0.91 -0.42 0.00 -0.01 0.00 0.00 57.00 57.46 3hba n GLN 170 Cb 0.63 -5.45 -0.03 0.00 1.02 0.00 0.00 30.24 26.41 3hba n GLN 170 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3hba s ASN 171 N -2.18 6.53 0.29 1.08 0.01 -1.26 -4.89 114.94 114.52 3hba s ASN 171 Ca 0.00 2.29 -0.03 0.00 -0.71 0.00 0.00 52.86 54.41 3hba s ASN 171 Cb 0.00 -2.53 0.41 0.00 0.41 0.00 0.00 41.25 39.54 3hba s ASN 171 CO 0.00 -1.04 1.96 1.05 -1.51 0.00 0.00 177.10 177.56 3hba h GLU 172 N 10.18 1.13 -0.64 -0.60 4.11 -1.94 -1.60 114.58 125.22 3hba h GLU 172 Ca -0.42 -0.07 -0.05 0.00 0.07 0.00 0.00 59.36 58.89 3hba h GLU 172 Cb 1.20 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 3hba h GLU 172 CO 0.95 0.75 0.21 1.03 0.07 0.00 0.00 179.01 182.02 3hba h SER 173 N 1.17 0.93 -0.13 3.06 0.87 -2.00 -1.82 113.55 115.63 3hba h SER 173 Ca 0.32 -0.20 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 3hba h SER 173 Cb -0.12 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.59 3hba h SER 173 CO -0.07 0.89 -0.42 0.25 -0.53 0.00 0.00 176.83 176.95 3hba h LEU 174 N 0.93 0.72 -0.57 2.23 5.85 -1.74 -1.47 115.31 121.26 3hba h LEU 174 Ca 0.21 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3hba h LEU 174 Cb 0.28 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3hba h LEU 174 CO -0.01 1.05 0.37 0.58 -0.34 0.00 0.00 178.44 180.09 3hba h VAL 175 N 0.55 1.15 -0.75 1.05 2.07 -1.04 0.19 116.25 119.46 3hba h VAL 175 Ca 0.04 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3hba h VAL 175 Cb 0.95 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3hba h VAL 175 CO 0.09 0.15 0.25 -0.08 0.02 0.00 0.00 177.57 178.00 3hba h GLU 176 N 0.77 1.16 -0.14 1.57 4.22 -1.16 -1.15 114.58 119.85 3hba h GLU 176 Ca 0.21 -0.24 0.00 0.00 0.08 0.00 0.00 59.36 59.41 3hba h GLU 176 Cb -0.07 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 3hba h GLU 176 CO -0.04 0.97 0.09 0.00 -2.18 0.00 0.00 179.01 177.84 3hba h ALA 177 N 1.16 0.17 -0.65 2.92 0.00 -0.52 -0.61 119.26 121.73 3hba h ALA 177 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3hba h ALA 177 Cb 0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3hba h ALA 177 CO -0.01 -0.34 0.33 0.28 0.00 0.00 0.00 179.25 179.51 3hba h VAL 178 N 0.18 1.21 -0.20 0.00 2.07 -0.77 -1.02 116.25 117.73 3hba h VAL 178 Ca 0.05 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3hba h VAL 178 Cb -0.02 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3hba h VAL 178 CO -0.01 0.24 0.09 0.78 0.02 0.00 0.00 177.57 178.69 3hba h ASN 179 N 0.90 0.24 0.70 0.57 2.35 -0.97 -2.63 115.58 116.73 3hba h ASN 179 Ca 0.23 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3hba h ASN 179 Cb 0.08 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3hba h ASN 179 CO -0.03 0.21 -0.38 -1.54 -1.65 0.00 0.00 177.43 174.04 3hba n SER 180 N -4.47 0.41 -0.00 5.81 3.41 -0.26 -4.57 113.62 113.95 3hba n SER 180 Ca -0.00 0.01 -0.09 0.00 -0.26 0.00 0.00 58.87 58.53 3hba n SER 180 Cb 0.11 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 3hba n SER 180 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3hba h LEU 181 N 0.00 -0.63 -0.98 1.04 5.85 -0.83 -1.54 115.31 118.23 3hba h LEU 181 Ca 0.00 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3hba h LEU 181 Cb 0.54 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 3hba h LEU 181 CO 0.00 -0.25 0.63 -0.65 -0.34 0.00 0.00 178.44 177.83 3hba h PRO 182 N -0.26 1.11 -0.23 5.25 0.11 -1.80 -0.54 132.00 135.64 3hba h PRO 182 Ca 0.10 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.99 3hba h PRO 182 Cb 0.40 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3hba h PRO 182 CO -0.28 0.73 -0.50 0.37 -0.21 0.00 0.00 178.00 178.11 3hba h GLN 183 N 1.14 0.63 -0.51 1.05 -0.00 -1.79 -1.77 115.11 113.86 3hba h GLN 183 Ca 0.43 -0.37 -0.09 0.00 -0.00 0.00 0.00 58.65 58.62 3hba h GLN 183 Cb 0.18 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.67 3hba h GLN 183 CO -0.18 0.98 -0.04 0.00 0.00 0.00 0.00 178.83 179.60 3hba h ALA 184 N 0.95 0.98 -0.55 3.38 0.00 -0.57 -0.23 119.26 123.22 3hba h ALA 184 Ca 0.02 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 3hba h ALA 184 Cb 1.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3hba h ALA 184 CO 0.10 0.61 0.03 -0.07 0.00 0.00 0.00 179.25 179.92 3hba h LEU 185 N 0.80 0.93 -0.43 0.00 3.38 -0.97 -1.77 115.31 117.25 3hba h LEU 185 Ca 0.15 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3hba h LEU 185 Cb 0.53 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3hba h LEU 185 CO 0.03 0.99 0.14 -0.61 0.09 0.00 0.00 178.44 179.08 3hba h GLN 186 N 0.84 0.67 -0.79 1.13 5.75 -1.03 -0.07 115.11 121.61 3hba h GLN 186 Ca 0.16 -0.14 0.09 0.00 -0.15 0.00 0.00 58.65 58.60 3hba h GLN 186 Cb 0.50 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 28.88 3hba h GLN 186 CO 0.02 0.65 0.44 0.00 -2.65 0.00 0.00 178.83 177.30 3hba h ALA 187 N 0.99 1.11 -0.53 3.38 0.00 -0.97 0.48 119.26 123.72 3hba h ALA 187 Ca 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hba h ALA 187 Cb 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hba h ALA 187 CO -0.00 0.08 0.24 0.00 0.00 0.00 0.00 179.25 179.56 3hba h ALA 188 N 1.43 0.68 -0.67 0.00 0.00 -0.76 -1.55 119.26 118.40 3hba h ALA 188 Ca 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3hba h ALA 188 Cb 0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hba h ALA 188 CO -0.24 0.26 0.37 0.28 0.00 0.00 0.00 179.25 179.92 3hba h VAL 189 N 0.71 1.20 0.00 0.00 2.07 -0.44 -2.72 116.25 117.07 3hba h VAL 189 Ca 0.18 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3hba h VAL 189 Cb 0.14 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3hba h VAL 189 CO -0.02 0.22 0.00 0.47 0.02 0.00 0.00 177.57 178.26 3hba n ASP 190 N -4.53 0.57 -4.78 0.57 8.00 0.11 -4.85 116.55 111.63 3hba n ASP 190 Ca 0.05 0.60 -0.29 0.00 0.71 0.00 0.00 54.79 55.86 3hba n ASP 190 Cb 0.08 -0.73 0.14 0.00 -0.02 0.00 0.00 41.12 40.58 3hba n ASP 190 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hba s ALA 191 N -3.17 1.74 0.43 2.24 0.00 -0.60 -5.02 121.76 117.39 3hba s ALA 191 Ca 0.08 -0.49 -0.23 0.00 0.00 0.00 0.00 51.96 51.31 3hba s ALA 191 Cb 0.11 -3.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.11 3hba s ALA 191 CO 0.47 -2.29 1.08 -2.00 0.00 0.00 0.00 175.76 173.01 3hba s GLU 192 N -5.25 4.01 0.43 0.00 2.56 -1.26 -4.96 118.70 114.22 3hba s GLU 192 Ca 0.64 1.55 -0.25 0.00 0.00 0.00 0.00 54.97 56.91 3hba s GLU 192 Cb -0.15 -2.44 -0.10 0.00 2.00 0.00 0.00 34.13 33.44 3hba s GLU 192 CO 0.54 -0.29 1.15 -2.30 -0.56 0.00 0.00 175.26 173.80 3hba n PRO 193 N -0.31 1.64 -0.10 4.30 -0.02 -1.26 -4.94 135.00 134.32 3hba n PRO 193 Ca 0.06 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 62.01 3hba n PRO 193 Cb 0.50 -2.23 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 3hba n PRO 193 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hba n GLN 194 N 0.04 0.68 -4.96 -0.52 1.13 -1.26 -4.93 117.38 107.56 3hba n GLN 194 Ca 0.08 0.05 -0.32 0.00 -1.94 0.00 0.00 57.00 54.87 3hba n GLN 194 Cb 0.39 -1.55 -0.15 0.00 0.11 0.00 0.00 30.24 29.05 3hba n GLN 194 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3hba s LEU 195 N -5.77 2.52 0.03 1.08 2.96 -1.26 -4.83 118.68 113.41 3hba s LEU 195 Ca -0.14 -0.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 3hba s LEU 195 Cb 0.07 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 3hba s LEU 195 CO 0.79 0.23 -0.17 -0.13 -1.32 0.00 0.00 176.35 175.75 3hba s ARG 196 N -0.07 1.16 0.28 1.98 0.52 -1.26 -4.85 118.95 116.72 3hba s ARG 196 Ca -0.04 -0.80 0.02 0.00 -0.52 0.00 0.00 55.73 54.39 3hba s ARG 196 Cb -0.14 -1.21 0.58 0.00 0.52 0.00 0.00 34.95 34.70 3hba s ARG 196 CO 0.04 0.31 1.82 0.00 0.02 0.00 0.00 175.30 177.49 3hba h ALA 197 N 5.02 1.53 -1.07 2.13 0.00 -1.90 -1.92 119.26 123.06 3hba h ALA 197 Ca -0.39 0.03 0.28 0.00 0.00 0.00 0.00 54.91 54.83 3hba h ALA 197 Cb 1.17 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 3hba h ALA 197 CO 0.45 0.17 0.70 0.78 0.00 0.00 0.00 179.25 181.34 3hba h GLY 198 N 0.94 1.01 2.00 0.00 0.00 -1.96 0.69 103.07 105.74 3hba h GLY 198 Ca 0.51 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 3hba h GLY 198 CO -0.29 -0.12 -0.19 1.76 0.00 0.00 0.00 176.54 177.70 3hba h SER 199 N 0.31 0.00 0.11 0.19 0.02 -1.78 -3.22 113.55 109.18 3hba h SER 199 Ca 0.59 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.52 3hba h SER 199 Cb 1.66 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.19 3hba h SER 199 CO -0.25 0.19 -1.92 0.18 -1.14 0.00 0.00 176.83 173.89 3hba n LEU 200 N -3.78 0.10 -4.65 5.07 4.77 0.23 -4.87 117.00 113.87 3hba n LEU 200 Ca -0.02 0.04 -0.54 0.00 -0.03 0.00 0.00 56.01 55.46 3hba n LEU 200 Cb 0.30 0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3hba n LEU 200 CO 0.33 0.02 1.11 0.41 -1.33 0.00 0.00 177.39 177.92 3hba n THR 201 N -2.34 0.15 -0.93 -5.08 -1.04 -0.65 0.14 114.28 104.53 3hba n THR 201 Ca -0.06 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3hba n THR 201 Cb 0.61 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 3hba n THR 201 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3hba n ASP 202 N 3.90 -2.33 -4.48 8.00 3.85 -1.26 -5.03 116.55 119.19 3hba n ASP 202 Ca 0.22 0.00 -0.37 0.00 -0.71 0.00 0.00 54.79 53.94 3hba n ASP 202 Cb 0.16 -0.39 -0.12 0.00 -1.35 0.00 0.00 41.12 39.42 3hba n ASP 202 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3hba s VAL 203 N -2.30 4.50 -0.12 2.12 1.01 0.12 -4.96 120.40 120.78 3hba s VAL 203 Ca 0.00 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.92 3hba s VAL 203 Cb 0.00 -3.11 -0.11 0.00 0.00 0.00 0.00 36.38 33.16 3hba s VAL 203 CO 0.00 0.33 -0.05 2.29 0.00 0.00 0.00 175.10 177.68 3hba n LYS 204 N 4.83 1.23 -4.65 2.72 2.85 -1.26 -4.90 118.16 118.99 3hba n LYS 204 Ca -0.16 0.04 -0.33 0.00 -1.05 0.00 0.00 58.31 56.81 3hba n LYS 204 Cb 0.52 -1.27 -0.13 0.00 -0.65 0.00 0.00 35.03 33.50 3hba n LYS 204 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3hba s ASN 205 N -4.84 4.41 -0.04 -5.58 0.01 -1.26 -1.09 114.94 106.56 3hba s ASN 205 Ca -0.12 -0.17 -0.03 0.00 -0.71 0.00 0.00 52.86 51.84 3hba s ASN 205 Cb 0.04 -1.43 0.02 0.00 0.41 0.00 0.00 41.25 40.29 3hba s ASN 205 CO 0.37 0.25 0.09 -0.22 -1.51 0.00 0.00 177.10 176.08 3hba s LEU 206 N -0.13 1.39 -0.15 0.60 2.96 0.34 -4.72 118.68 118.98 3hba s LEU 206 Ca 0.01 0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 3hba s LEU 206 Cb -0.13 0.26 -0.03 0.00 0.50 0.00 0.00 46.19 46.78 3hba s LEU 206 CO 0.03 -0.07 0.00 -0.69 -1.32 0.00 0.00 176.35 174.30 3hba s VAL 207 N 0.42 4.25 -0.28 1.68 1.01 -0.64 -1.73 120.40 125.11 3hba s VAL 207 Ca -0.03 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 3hba s VAL 207 Cb -0.05 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 3hba s VAL 207 CO -0.02 0.50 0.10 -0.69 0.00 0.00 0.00 175.10 175.00 3hba s VAL 208 N 0.13 4.31 -0.10 2.92 1.01 0.30 0.02 120.40 128.99 3hba s VAL 208 Ca 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3hba s VAL 208 Cb -0.13 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 3hba s VAL 208 CO 0.02 0.19 -0.04 -0.76 0.00 0.00 0.00 175.10 174.51 3hba s LEU 209 N 1.59 3.33 0.28 3.92 1.43 0.27 -1.01 118.68 128.48 3hba s LEU 209 Ca 0.05 -0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 52.99 3hba s LEU 209 Cb -0.16 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.31 3hba s LEU 209 CO 0.04 0.31 0.59 -0.83 0.23 0.00 0.00 176.35 176.68 3hba s GLY 210 N -0.46 0.37 -0.00 -3.19 0.00 -1.08 -1.24 107.32 101.73 3hba s GLY 210 Ca 0.07 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.10 3hba s GLY 210 CO 0.02 -0.44 -0.07 -1.60 0.00 0.00 0.00 173.10 171.01 3hba s ARG 211 N -3.77 0.53 7.97 2.90 6.06 -1.26 -1.14 118.95 130.23 3hba s ARG 211 Ca 0.19 -0.27 0.00 0.00 -2.50 0.00 0.00 55.73 53.15 3hba s ARG 211 Cb -0.03 -0.50 0.00 0.00 0.06 0.00 0.00 34.95 34.48 3hba s ARG 211 CO 0.09 0.13 0.00 0.41 -2.50 0.00 0.00 175.30 173.44 3hba n GLY 212 N 2.82 3.69 0.36 8.12 0.00 -1.26 -0.63 105.19 118.29 3hba n GLY 212 Ca -0.14 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.92 3hba n GLY 212 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hba h PHE 213 N 0.00 0.57 -0.51 1.61 0.04 -1.97 -0.71 116.94 115.96 3hba h PHE 213 Ca 0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 3hba h PHE 213 Cb 0.00 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 3hba h PHE 213 CO 0.00 0.27 0.30 0.78 -0.60 0.00 0.00 178.31 179.06 3hba h GLY 214 N 0.53 0.74 0.80 -1.45 0.00 -1.22 -1.07 103.07 101.41 3hba h GLY 214 Ca 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3hba h GLY 214 CO -0.10 0.30 0.01 -1.82 0.00 0.00 0.00 176.54 174.93 3hba h TYR 215 N 0.71 0.29 -0.40 5.60 3.20 -0.97 -0.49 116.97 124.91 3hba h TYR 215 Ca 0.18 -0.05 0.08 0.00 3.14 0.00 0.00 58.73 62.08 3hba h TYR 215 Cb -0.01 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.12 3hba h TYR 215 CO 0.00 0.47 -0.01 0.00 -1.64 0.00 0.00 178.16 176.98 3hba h ALA 216 N 0.79 0.36 -0.72 1.82 0.00 -0.95 -2.19 119.26 118.37 3hba h ALA 216 Ca 0.05 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hba h ALA 216 Cb 0.34 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3hba h ALA 216 CO 0.01 -0.40 0.44 0.28 0.00 0.00 0.00 179.25 179.58 3hba h VAL 217 N 0.09 1.08 -0.62 0.00 2.07 -1.18 -2.84 116.25 114.85 3hba h VAL 217 Ca 0.20 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3hba h VAL 217 Cb 0.29 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 3hba h VAL 217 CO -0.34 0.16 0.41 0.28 0.02 0.00 0.00 177.57 178.09 3hba h SER 218 N 0.86 0.55 -0.64 0.57 0.02 -0.46 -1.26 113.55 113.19 3hba h SER 218 Ca 0.29 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 3hba h SER 218 Cb 0.05 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 3hba h SER 218 CO -0.12 0.36 0.20 0.11 -1.14 0.00 0.00 176.83 176.24 3hba h LYS 219 N 0.63 0.99 -0.48 3.45 1.57 -1.23 0.08 116.57 121.59 3hba h LYS 219 Ca 0.26 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 3hba h LYS 219 Cb 0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3hba h LYS 219 CO -0.08 0.87 -0.17 1.49 -0.57 0.00 0.00 179.45 180.99 3hba h GLU 220 N 0.92 0.94 -0.33 3.15 4.57 -1.46 -2.15 114.58 120.23 3hba h GLU 220 Ca 0.21 -0.37 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 3hba h GLU 220 Cb 0.29 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 3hba h GLU 220 CO -0.01 1.03 0.04 0.82 -1.18 0.00 0.00 179.01 179.72 3hba h ILE 221 N 0.82 1.24 -0.92 2.32 2.04 -0.96 -2.14 117.51 119.91 3hba h ILE 221 Ca 0.12 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.13 3hba h ILE 221 Cb 0.73 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 3hba h ILE 221 CO 0.06 0.29 0.61 0.00 0.00 0.00 0.00 178.15 179.10 3hba h ALA 222 N 0.88 1.36 -0.33 1.87 0.00 -0.88 -1.49 119.26 120.67 3hba h ALA 222 Ca 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hba h ALA 222 Cb 0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hba h ALA 222 CO 0.01 0.59 0.10 1.25 0.00 0.00 0.00 179.25 181.20 3hba h LEU 223 N 1.23 0.47 -0.98 0.00 5.85 -1.16 -1.99 115.31 118.73 3hba h LEU 223 Ca 0.34 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 3hba h LEU 223 Cb -0.12 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3hba h LEU 223 CO -0.08 0.55 -0.20 0.11 -0.34 0.00 0.00 178.44 178.48 3hba h LYS 224 N 0.37 0.51 -0.63 1.25 1.79 -1.00 0.24 116.57 119.11 3hba h LYS 224 Ca 0.11 -0.17 -0.08 0.00 -2.18 0.00 0.00 60.65 58.32 3hba h LYS 224 Cb 0.25 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 3hba h LYS 224 CO -0.00 0.68 0.08 -0.07 -1.08 0.00 0.00 179.45 179.06 3hba h LEU 225 N 0.46 0.99 -0.07 2.94 3.38 -1.15 0.73 115.31 122.59 3hba h LEU 225 Ca 0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3hba h LEU 225 Cb 0.61 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hba h LEU 225 CO 0.04 1.00 -0.07 0.11 0.09 0.00 0.00 178.44 179.62 3hba h LYS 226 N 0.97 0.17 0.17 1.13 1.57 -0.80 -2.13 116.57 117.65 3hba h LYS 226 Ca 0.19 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3hba h LYS 226 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hba h LYS 226 CO 0.01 0.60 -0.08 0.93 -0.57 0.00 0.00 179.45 180.35 3hba h GLU 227 N -0.26 -0.22 0.00 3.15 5.08 -0.41 -3.06 114.58 118.86 3hba h GLU 227 Ca 0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hba h GLU 227 Cb 0.57 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3hba h GLU 227 CO 0.02 -0.11 -1.73 1.33 -1.00 0.00 0.00 179.01 177.51 3hba n VAL 228 N -5.17 0.00 0.49 3.13 0.24 0.24 -4.50 118.33 112.76 3hba n VAL 228 Ca -0.09 -0.38 0.05 0.00 -2.04 0.00 0.00 64.34 61.88 3hba n VAL 228 Cb 0.13 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 3hba n VAL 228 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hba n ALA 230 N -0.20 -1.20 -2.93 0.00 0.00 -1.06 -4.98 120.51 110.14 3hba n ALA 230 Ca 0.05 0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.42 3hba n ALA 230 Cb 0.23 -4.56 -0.11 0.00 0.00 0.00 0.00 19.45 15.01 3hba n ALA 230 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hba s ILE 231 N -3.24 4.15 -0.47 0.00 1.01 -1.07 -5.01 121.20 116.57 3hba s ILE 231 Ca 0.54 -0.26 -0.27 0.00 0.00 0.00 0.00 60.65 60.66 3hba s ILE 231 Cb -0.26 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3hba s ILE 231 CO 0.67 0.48 2.00 -1.00 0.00 0.00 0.00 174.94 177.08 3hba s HIS 232 N 0.42 1.53 0.01 3.97 3.76 -0.25 -3.39 115.29 121.34 3hba s HIS 232 Ca -0.02 0.90 0.08 0.00 -0.15 0.00 0.00 55.06 55.87 3hba s HIS 232 Cb -0.14 -3.97 -0.02 0.00 1.11 0.00 0.00 32.58 29.56 3hba s HIS 232 CO 0.02 -2.68 -0.24 0.00 -0.85 0.00 0.00 174.74 170.98 3hba s ALA 233 N 9.10 2.04 -0.03 -1.40 0.00 -1.26 -0.50 121.76 129.70 3hba s ALA 233 Ca 0.80 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 3hba s ALA 233 Cb -0.18 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.48 3hba s ALA 233 CO 0.27 0.49 0.08 -2.00 0.00 0.00 0.00 175.76 174.60 3hba s GLU 234 N -0.85 0.07 -0.11 0.00 2.12 -0.70 -4.79 118.70 114.43 3hba s GLU 234 Ca 0.10 0.15 -0.13 0.00 0.36 0.00 0.00 54.97 55.45 3hba s GLU 234 Cb -0.09 -0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 3hba s GLU 234 CO 0.00 -0.05 0.30 0.00 -0.54 0.00 0.00 175.26 174.97 3hba s ALA 235 N 0.34 3.65 0.11 6.30 0.00 -1.26 -0.54 121.76 130.37 3hba s ALA 235 Ca -0.03 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.55 3hba s ALA 235 Cb -0.04 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 3hba s ALA 235 CO -0.01 0.26 -0.08 -0.06 0.00 0.00 0.00 175.76 175.87 3hba s PHE 236 N -0.11 1.00 0.22 0.00 0.08 -0.18 -4.93 117.98 114.07 3hba s PHE 236 Ca 0.18 -0.84 -0.30 0.00 0.12 0.00 0.00 56.93 56.09 3hba s PHE 236 Cb -0.14 -0.55 -0.09 0.00 -0.57 0.00 0.00 43.02 41.67 3hba s PHE 236 CO 0.06 -0.07 1.38 0.45 -0.10 0.00 0.00 175.22 176.94 3hba s SER 237 N -2.99 6.77 0.56 1.36 0.15 -1.26 -2.62 113.70 115.67 3hba s SER 237 Ca 0.12 2.53 0.34 0.00 0.70 0.00 0.00 55.95 59.65 3hba s SER 237 Cb 0.03 -2.62 1.50 0.00 -1.71 0.00 0.00 66.02 63.23 3hba s SER 237 CO -0.03 -0.62 2.03 0.77 1.20 0.00 0.00 173.24 176.60 3hba h SER 238 N 5.25 0.00 0.08 5.45 4.64 -1.47 -0.63 113.55 126.87 3hba h SER 238 Ca -0.45 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.63 3hba h SER 238 Cb 1.22 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3hba h SER 238 CO 0.78 0.02 -0.91 0.00 -0.87 0.00 0.00 176.83 175.85 3hba h ALA 239 N 1.98 0.30 0.00 5.18 0.00 -1.91 -3.34 119.26 121.48 3hba h ALA 239 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3hba h ALA 239 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hba h ALA 239 CO 0.00 0.73 -0.96 0.39 0.00 0.00 0.00 179.25 179.41 3hba n GLU 240 N -3.84 0.54 -0.05 0.00 -0.58 -0.97 -4.05 120.64 111.68 3hba n GLU 240 Ca -0.08 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3hba n GLU 240 Cb 0.81 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 3hba n GLU 240 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3hba n PHE 241 N -2.55 0.00 0.00 -0.32 7.35 -0.28 -5.00 117.46 116.65 3hba n PHE 241 Ca 0.01 -0.30 0.00 0.00 -0.76 0.00 0.00 57.45 56.40 3hba n PHE 241 Cb 0.53 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 40.14 3hba n PHE 241 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3hba n LEU 242 N 0.97 0.00 0.00 -2.13 4.77 -1.26 -5.07 117.00 114.29 3hba n LEU 242 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hba n LEU 242 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3hba n LEU 242 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.82 3hba n SER 254 N 0.00 0.00 -4.16 -1.43 2.88 -1.26 -5.09 113.62 104.56 3hba n SER 254 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 3hba n SER 254 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 3hba n SER 254 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3hba s ILE 255 N 0.00 1.69 -0.30 2.46 1.01 0.60 -1.61 121.20 125.05 3hba s ILE 255 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 3hba s ILE 255 Cb 0.00 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 3hba s ILE 255 CO 0.00 0.48 0.15 -0.22 0.00 0.00 0.00 174.94 175.35 3hba s LEU 256 N 0.28 4.06 -0.44 2.97 2.96 0.10 -1.00 118.68 127.61 3hba s LEU 256 Ca -0.12 -0.44 -0.21 0.00 -0.22 0.00 0.00 54.13 53.14 3hba s LEU 256 Cb -0.15 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.55 3hba s LEU 256 CO 0.05 -0.17 0.63 -0.62 -1.32 0.00 0.00 176.35 174.93 3hba s ASP 257 N 1.63 6.32 -0.61 3.68 2.15 0.41 -0.57 116.67 129.69 3hba s ASP 257 Ca 0.05 -0.36 -0.23 0.00 0.43 0.00 0.00 52.55 52.44 3hba s ASP 257 Cb -0.17 -2.31 0.06 0.00 -0.30 0.00 0.00 42.92 40.20 3hba s ASP 257 CO 0.07 -0.77 0.93 -0.69 -0.17 0.00 0.00 175.17 174.54 3hba s VAL 258 N 2.78 4.39 -0.85 1.11 1.01 -0.37 -0.36 120.40 128.10 3hba s VAL 258 Ca 0.22 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 3hba s VAL 258 Cb -0.14 -4.60 0.22 0.00 0.00 0.00 0.00 36.38 31.86 3hba s VAL 258 CO 0.19 -1.28 0.77 0.00 0.00 0.00 0.00 175.10 174.78 3hba s ILE 260 N -0.29 4.94 -1.25 0.00 -1.09 -1.26 -3.95 121.20 118.30 3hba s ILE 260 Ca 0.21 1.40 -0.10 0.00 -2.23 0.00 0.00 60.65 59.93 3hba s ILE 260 Cb -0.12 -4.01 0.18 0.00 -1.58 0.00 0.00 42.46 36.93 3hba s ILE 260 CO -0.08 0.33 1.74 0.54 -1.23 0.00 0.00 174.94 176.24 3hba n ARG 261 N 3.24 3.60 0.00 2.79 1.74 -1.26 -4.01 116.66 122.75 3hba n ARG 261 Ca -0.03 -3.67 0.00 0.00 -0.77 0.00 0.00 57.85 53.38 3hba n ARG 261 Cb 0.51 -2.93 0.00 0.00 -1.02 0.00 0.00 32.46 29.02 3hba n ARG 261 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hba n ASP 262 N 4.18 1.00 0.33 0.55 5.75 -1.26 -4.60 116.55 122.50 3hba n ASP 262 Ca 0.38 0.00 0.21 0.00 -0.01 0.00 0.00 54.79 55.37 3hba n ASP 262 Cb 0.38 0.00 1.14 0.00 -1.03 0.00 0.00 41.12 41.61 3hba n ASP 262 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3hba h GLU 263 N 0.00 0.00 0.00 0.11 3.07 -1.97 -1.76 114.58 114.03 3hba h GLU 263 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hba h GLU 263 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3hba h GLU 263 CO 0.00 0.00 -0.09 -1.13 -1.40 0.00 0.00 179.01 176.39 3hba n SER 264 N -3.28 0.15 -0.19 1.42 3.41 -1.26 -4.33 113.62 109.54 3hba n SER 264 Ca -0.03 0.38 -0.03 0.00 -0.26 0.00 0.00 58.87 58.93 3hba n SER 264 Cb 0.08 -0.39 0.07 0.00 -0.26 0.00 0.00 64.21 63.71 3hba n SER 264 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3hba h TYR 265 N 0.00 0.53 0.15 7.33 3.20 -1.45 -1.37 116.97 125.36 3hba h TYR 265 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3hba h TYR 265 Cb 0.52 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.64 3hba h TYR 265 CO 0.00 0.25 -0.07 0.78 -1.64 0.00 0.00 178.16 177.48 3hba h GLY 266 N 0.55 -0.21 1.12 1.82 0.00 -1.81 0.29 103.07 104.83 3hba h GLY 266 Ca 0.26 0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.57 3hba h GLY 266 CO -0.18 -0.08 0.02 1.48 0.00 0.00 0.00 176.54 177.78 3hba h SER 267 N -0.33 1.03 0.39 0.19 4.64 -1.82 -2.84 113.55 114.81 3hba h SER 267 Ca -0.02 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 3hba h SER 267 Cb 0.26 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3hba h SER 267 CO 0.03 1.07 -0.18 -0.74 -0.87 0.00 0.00 176.83 176.14 3hba h HIS 268 N 0.97 -0.48 -0.93 4.77 -0.00 -1.04 -2.33 115.15 116.11 3hba h HIS 268 Ca 0.18 -0.01 0.25 0.00 -0.00 0.00 0.00 60.37 60.78 3hba h HIS 268 Cb 0.53 0.16 -0.13 0.00 -0.00 0.00 0.00 27.41 27.97 3hba h HIS 268 CO 0.04 -0.20 0.42 0.28 -0.00 0.00 0.00 177.93 178.47 3hba h VAL 269 N -0.69 0.41 -0.38 5.26 2.07 -0.99 -0.05 116.25 121.88 3hba h VAL 269 Ca -0.05 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 3hba h VAL 269 Cb 0.49 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3hba h VAL 269 CO 0.09 0.07 -0.25 -0.08 0.02 0.00 0.00 177.57 177.42 3hba h GLU 270 N 0.37 0.78 -0.45 1.57 4.57 -1.26 -0.79 114.58 119.36 3hba h GLU 270 Ca 0.61 -0.33 -0.07 0.00 -1.18 0.00 0.00 59.36 58.39 3hba h GLU 270 Cb 1.22 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 3hba h GLU 270 CO -0.57 0.94 0.01 1.96 -1.18 0.00 0.00 179.01 180.18 3hba h GLN 271 N 0.67 0.79 -0.64 1.92 1.08 -0.65 -1.32 115.11 116.97 3hba h GLN 271 Ca 0.09 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 57.01 3hba h GLN 271 Cb 0.77 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.09 3hba h GLN 271 CO 0.06 0.85 0.29 0.82 -0.95 0.00 0.00 178.83 179.90 3hba h ILE 272 N 0.64 1.21 -0.64 2.54 1.08 -0.90 -1.29 117.51 120.16 3hba h ILE 272 Ca 0.13 -0.63 -0.07 0.00 -0.39 0.00 0.00 64.86 63.90 3hba h ILE 272 Cb 0.49 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 3hba h ILE 272 CO 0.02 0.26 0.10 0.00 -0.69 0.00 0.00 178.15 177.84 3hba h ALA 273 N 1.41 0.98 -0.08 1.87 0.00 -0.87 -0.22 119.26 122.34 3hba h ALA 273 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hba h ALA 273 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hba h ALA 273 CO -0.03 0.64 0.03 -0.91 0.00 0.00 0.00 179.25 178.99 3hba h ASN 274 N 0.98 0.05 -0.47 0.00 2.35 -0.57 -0.95 115.58 116.96 3hba h ASN 274 Ca 0.20 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 3hba h ASN 274 Cb 0.42 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3hba h ASN 274 CO 0.01 0.04 0.11 -0.37 -1.65 0.00 0.00 177.43 175.57 3hba h VAL 275 N 0.08 1.23 -0.37 2.81 -1.51 -0.91 0.20 116.25 117.77 3hba h VAL 275 Ca 0.03 -0.84 -0.03 0.00 -1.23 0.00 0.00 66.70 64.64 3hba h VAL 275 Cb 0.01 0.70 -0.02 0.00 -2.13 0.00 0.00 31.29 29.86 3hba h VAL 275 CO -0.03 0.31 0.12 0.50 -1.23 0.00 0.00 177.57 177.24 3hba h LYS 276 N 0.78 0.58 -0.31 5.19 3.64 -0.90 -1.07 116.57 124.49 3hba h LYS 276 Ca 0.17 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 3hba h LYS 276 Cb 0.31 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3hba h LYS 276 CO 0.00 0.59 -0.10 1.96 -2.27 0.00 0.00 179.45 179.63 3hba h GLN 277 N 0.46 0.52 -0.23 1.90 4.20 -0.82 -1.09 115.11 120.04 3hba h GLN 277 Ca 0.12 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3hba h GLN 277 Cb 0.25 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3hba h GLN 277 CO -0.00 0.62 0.00 0.54 -0.67 0.00 0.00 178.83 179.32 3hba n ARG 278 N -4.21 0.82 -0.67 1.46 5.12 0.03 -4.85 116.66 114.35 3hba n ARG 278 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 3hba n ARG 278 Cb 0.31 -1.11 0.00 0.00 -1.16 0.00 0.00 32.46 30.50 3hba n ARG 278 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hba n GLY 279 N 0.25 0.67 3.69 -0.13 0.00 -0.41 -5.03 105.19 104.22 3hba n GLY 279 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3hba n GLY 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hba s ALA 280 N -2.01 1.42 -0.31 4.61 0.00 -0.43 -5.01 121.76 120.03 3hba s ALA 280 Ca 0.00 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.07 3hba s ALA 280 Cb 0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 3hba s ALA 280 CO 0.00 -2.54 0.15 1.21 0.00 0.00 0.00 175.76 174.58 3hba s ASN 281 N -3.07 5.55 -0.08 0.00 2.47 -1.26 -4.73 114.94 113.83 3hba s ASN 281 Ca 0.65 -0.54 0.01 0.00 0.42 0.00 0.00 52.86 53.40 3hba s ASN 281 Cb -0.20 -2.00 -0.03 0.00 -1.45 0.00 0.00 41.25 37.57 3hba s ASN 281 CO 0.58 -0.20 -0.09 -0.76 -3.72 0.00 0.00 177.10 172.91 3hba s LEU 282 N 1.61 3.00 -0.13 3.21 1.02 -1.26 -0.29 118.68 125.84 3hba s LEU 282 Ca 0.04 -0.12 0.03 0.00 0.02 0.00 0.00 54.13 54.10 3hba s LEU 282 Cb -0.17 -1.65 0.01 0.00 0.02 0.00 0.00 46.19 44.40 3hba s LEU 282 CO 0.06 0.31 -0.22 -0.63 0.02 0.00 0.00 176.35 175.90 3hba s ILE 283 N -0.51 2.01 -0.23 -0.59 1.01 -0.17 -4.98 121.20 117.73 3hba s ILE 283 Ca 0.07 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 3hba s ILE 283 Cb -0.12 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3hba s ILE 283 CO 0.02 0.54 0.12 -1.00 0.00 0.00 0.00 174.94 174.62 3hba s HIS 284 N 0.75 3.25 -0.50 3.97 3.76 -1.26 -0.45 115.29 124.82 3hba s HIS 284 Ca -0.09 0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 54.76 3hba s HIS 284 Cb -0.16 -2.21 0.11 0.00 1.11 0.00 0.00 32.58 31.43 3hba s HIS 284 CO -0.00 0.01 0.41 -0.51 -0.85 0.00 0.00 174.74 173.80 3hba s LEU 285 N 0.97 5.85 0.33 0.89 1.43 0.51 -4.86 118.68 123.80 3hba s LEU 285 Ca 0.06 -1.75 0.01 0.00 -1.03 0.00 0.00 54.13 51.42 3hba s LEU 285 Cb -0.14 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 3hba s LEU 285 CO 0.03 -0.74 0.52 -1.00 0.23 0.00 0.00 176.35 175.39 3hba s HIS 286 N 1.51 3.49 0.63 0.29 3.76 -1.26 -1.56 115.29 122.14 3hba s HIS 286 Ca 0.04 0.30 -0.18 0.00 -0.15 0.00 0.00 55.06 55.07 3hba s HIS 286 Cb -0.27 -1.85 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 3hba s HIS 286 CO 0.02 0.17 1.23 -0.65 -0.85 0.00 0.00 174.74 174.66 3hba s GLN 287 N -4.27 2.74 0.44 1.40 -0.21 -1.25 -4.92 119.66 113.59 3hba s GLN 287 Ca 0.39 1.87 0.26 0.00 0.02 0.00 0.00 55.36 57.90 3hba s GLN 287 Cb -0.09 -1.89 0.66 0.00 1.00 0.00 0.00 33.01 32.68 3hba s GLN 287 CO 0.35 -1.40 1.72 1.79 -2.12 0.00 0.00 175.29 175.64 3hba h THR 288 N 0.62 0.00 -3.68 -0.19 1.35 -1.96 -3.43 112.91 105.61 3hba h THR 288 Ca -0.50 -0.80 -0.29 0.00 -0.55 0.00 0.00 66.41 64.27 3hba h THR 288 Cb 1.31 1.79 -0.30 0.00 -1.73 0.00 0.00 68.15 69.22 3hba h THR 288 CO 0.54 0.00 -0.74 -0.55 -0.25 0.00 0.00 175.52 174.52 3hba s SER 289 N -5.85 0.26 0.00 5.36 0.15 -1.26 -5.03 113.70 107.33 3hba s SER 289 Ca 0.06 -0.02 0.16 0.00 0.70 0.00 0.00 55.95 56.84 3hba s SER 289 Cb 0.07 -0.08 0.54 0.00 -1.71 0.00 0.00 66.02 64.84 3hba s SER 289 CO 0.62 -0.03 1.41 0.00 1.20 0.00 0.00 173.24 176.44 3hba n ALA 290 N 3.47 2.49 -0.63 5.45 0.00 -1.26 -3.70 120.51 126.32 3hba n ALA 290 Ca -0.18 -0.53 0.03 0.00 0.00 0.00 0.00 53.44 52.76 3hba n ALA 290 Cb 0.56 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 19.01 3hba n ALA 290 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hba n ASP 291 N 0.33 1.72 -4.78 0.00 5.75 -1.26 -5.07 116.55 113.24 3hba n ASP 291 Ca 0.14 -2.24 -0.33 0.00 -0.01 0.00 0.00 54.79 52.34 3hba n ASP 291 Cb 0.29 -0.16 0.02 0.00 -1.03 0.00 0.00 41.12 40.25 3hba n ASP 291 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 3hba s ILE 292 N -1.42 3.44 0.25 2.12 2.07 -1.24 -4.98 121.20 121.44 3hba s ILE 292 Ca 0.11 0.73 -0.30 0.00 -1.41 0.00 0.00 60.65 59.77 3hba s ILE 292 Cb 0.09 -3.24 -0.10 0.00 0.13 0.00 0.00 42.46 39.34 3hba s ILE 292 CO 0.01 -0.36 1.44 -2.28 -1.91 0.00 0.00 174.94 171.84 3hba s HIS 293 N -2.24 3.01 0.49 3.50 5.65 -1.26 -4.85 115.29 119.58 3hba s HIS 293 Ca 0.67 1.04 0.15 0.00 0.25 0.00 0.00 55.06 57.16 3hba s HIS 293 Cb -0.19 -3.82 1.17 0.00 -1.18 0.00 0.00 32.58 28.56 3hba s HIS 293 CO 0.36 -2.66 2.10 -1.00 -0.65 0.00 0.00 174.74 172.89 3hba h PRO 294 N 4.97 0.16 0.00 2.88 0.13 -1.94 -0.98 132.00 137.21 3hba h PRO 294 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3hba h PRO 294 Cb 1.22 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3hba h PRO 294 CO 0.77 0.10 0.00 0.00 -0.23 0.00 0.00 178.00 178.65 3hba h ARG 295 N 0.16 0.00 0.00 0.86 2.47 -1.93 -3.23 114.38 112.70 3hba h ARG 295 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3hba h ARG 295 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 3hba h ARG 295 CO -0.01 0.00 -1.19 0.44 0.56 0.00 0.00 179.97 179.77 3hba n ILE 296 N -2.44 0.00 -0.31 2.04 -5.35 -0.73 -4.48 119.36 108.09 3hba n ILE 296 Ca 0.05 -0.26 0.15 0.00 -0.27 0.00 0.00 62.75 62.42 3hba n ILE 296 Cb 0.41 0.55 0.31 0.00 -1.74 0.00 0.00 39.64 39.18 3hba n ILE 296 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hba h ALA 297 N 1.60 1.30 -0.38 -1.28 0.00 -1.23 -0.49 119.26 118.78 3hba h ALA 297 Ca 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3hba h ALA 297 Cb 0.50 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3hba h ALA 297 CO 0.00 -0.55 0.01 -1.35 0.00 0.00 0.00 179.25 177.36 3hba h PRO 298 N 0.12 0.60 -0.39 0.00 0.11 -1.79 -1.30 132.00 129.35 3hba h PRO 298 Ca 0.59 -0.13 -0.14 0.00 0.11 0.00 0.00 66.00 66.43 3hba h PRO 298 Cb 1.24 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3hba h PRO 298 CO -0.76 0.61 -0.29 -0.07 -0.21 0.00 0.00 178.00 177.28 3hba h LEU 299 N 0.57 0.93 -0.63 2.35 4.07 -1.41 -2.10 115.31 119.09 3hba h LEU 299 Ca 0.12 -0.44 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 3hba h LEU 299 Cb 0.35 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 3hba h LEU 299 CO 0.01 1.17 0.30 0.00 -1.08 0.00 0.00 178.44 178.84 3hba h ALA 300 N 0.78 0.81 -0.56 1.53 0.00 -1.01 0.44 119.26 121.25 3hba h ALA 300 Ca 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3hba h ALA 300 Cb 0.87 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3hba h ALA 300 CO 0.08 0.38 0.15 1.25 0.00 0.00 0.00 179.25 181.10 3hba h LEU 301 N 0.87 0.84 -0.68 0.00 6.46 -1.22 -1.82 115.31 119.75 3hba h LEU 301 Ca 0.22 -0.22 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 3hba h LEU 301 Cb 0.12 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 3hba h LEU 301 CO -0.03 0.84 0.24 -0.07 -0.62 0.00 0.00 178.44 178.81 3hba h LEU 302 N 0.79 0.96 -0.38 2.25 3.38 -1.19 -1.76 115.31 119.36 3hba h LEU 302 Ca 0.18 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.02 3hba h LEU 302 Cb 0.32 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3hba h LEU 302 CO -0.00 0.89 0.05 -0.61 0.09 0.00 0.00 178.44 178.87 3hba h GLN 303 N 0.98 0.17 -0.12 1.13 5.75 -0.62 -0.00 115.11 122.39 3hba h GLN 303 Ca 0.22 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 3hba h GLN 303 Cb 0.25 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 3hba h GLN 303 CO -0.01 0.11 0.05 -0.09 -2.65 0.00 0.00 178.83 176.24 3hba h ARG 304 N 0.17 0.18 -0.79 1.69 9.65 -1.25 -3.14 114.38 120.89 3hba h ARG 304 Ca 0.18 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.09 3hba h ARG 304 Cb 0.23 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.72 3hba h ARG 304 CO -0.26 0.27 0.48 0.35 2.80 0.00 0.00 179.97 183.61 3hba h PHE 305 N 0.05 0.90 -0.76 2.20 3.57 -1.06 0.05 116.94 121.89 3hba h PHE 305 Ca 0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3hba h PHE 305 Cb 0.15 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 3hba h PHE 305 CO -0.02 0.47 0.41 1.88 -2.23 0.00 0.00 178.31 178.82 3hba h TYR 306 N 0.90 1.04 -0.18 0.41 0.05 -0.97 0.14 116.97 118.37 3hba h TYR 306 Ca 0.34 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 59.05 3hba h TYR 306 Cb 0.13 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 3hba h TYR 306 CO -0.04 0.74 -0.06 0.82 -1.05 0.00 0.00 178.16 178.56 3hba h ILE 307 N 1.05 1.30 -0.79 -2.88 2.04 -1.44 -3.15 117.51 113.62 3hba h ILE 307 Ca 0.27 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 65.10 3hba h ILE 307 Cb 0.04 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 3hba h ILE 307 CO -0.04 0.32 0.52 0.44 0.00 0.00 0.00 178.15 179.39 3hba h ASP 308 N 0.06 0.81 1.36 1.72 3.32 -0.45 -2.86 116.42 120.38 3hba h ASP 308 Ca 0.04 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3hba h ASP 308 Cb 0.52 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3hba h ASP 308 CO 0.02 0.54 -0.32 1.62 -1.72 0.00 0.00 179.24 179.38 3hba h VAL 309 N 0.93 0.61 -0.53 -1.35 3.04 -0.70 -1.50 116.25 116.74 3hba h VAL 309 Ca 0.33 -1.62 -0.04 0.00 -1.01 0.00 0.00 66.70 64.36 3hba h VAL 309 Cb 0.13 2.11 -0.02 0.00 -2.01 0.00 0.00 31.29 31.50 3hba h VAL 309 CO -0.11 0.31 0.18 0.00 -1.01 0.00 0.00 177.57 176.95 3hba h ALA 310 N 1.68 0.70 -0.35 3.17 0.00 -1.47 -1.54 119.26 121.45 3hba h ALA 310 Ca -0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 3hba h ALA 310 Cb 1.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3hba h ALA 310 CO 0.04 0.34 -0.36 0.00 0.00 0.00 0.00 179.25 179.28 3hba h ALA 311 N 1.04 0.70 -0.64 0.00 0.00 -1.47 -2.26 119.26 116.64 3hba h ALA 311 Ca 0.17 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3hba h ALA 311 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3hba h ALA 311 CO -0.01 0.66 0.37 0.28 0.00 0.00 0.00 179.25 180.56 3hba h VAL 312 N 0.67 1.19 0.54 0.00 2.07 -1.18 0.42 116.25 119.97 3hba h VAL 312 Ca 0.06 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3hba h VAL 312 Cb 0.92 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3hba h VAL 312 CO 0.08 0.20 -0.50 0.00 0.02 0.00 0.00 177.57 177.37 3hba h ALA 313 N 1.19 -1.14 -0.99 1.67 0.00 -1.16 0.12 119.26 118.95 3hba h ALA 313 Ca 0.23 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.06 3hba h ALA 313 Cb -0.01 0.71 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 3hba h ALA 313 CO -0.04 -1.18 0.63 0.82 0.00 0.00 0.00 179.25 179.48 3hba h ILE 314 N -1.03 0.92 -0.20 0.00 1.08 -1.16 0.15 117.51 117.27 3hba h ILE 314 Ca -0.07 -0.33 -0.08 0.00 -0.39 0.00 0.00 64.86 63.99 3hba h ILE 314 Cb 0.88 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 3hba h ILE 314 CO -0.04 0.18 -0.23 0.00 -0.69 0.00 0.00 178.15 177.36 3hba h ALA 315 N 1.54 1.23 -0.14 1.87 0.00 -0.43 -1.76 119.26 121.59 3hba h ALA 315 Ca 0.49 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hba h ALA 315 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hba h ALA 315 CO -0.25 0.50 0.00 1.28 0.00 0.00 0.00 179.25 180.78 3hba n LEU 316 N -4.15 0.80 -0.26 0.00 4.77 0.39 -4.88 117.00 113.67 3hba n LEU 316 Ca -0.01 -0.39 -0.03 0.00 -0.03 0.00 0.00 56.01 55.55 3hba n LEU 316 Cb 0.37 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 3hba n LEU 316 CO 0.41 0.19 -0.03 0.61 -1.33 0.00 0.00 177.39 177.24 3hba n GLY 317 N 0.79 0.64 3.71 -0.72 0.00 -0.66 -5.03 105.19 103.94 3hba n GLY 317 Ca 0.08 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 3hba n GLY 317 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hba s ILE 318 N -2.06 4.62 -0.53 -0.61 1.01 0.09 -4.97 121.20 118.75 3hba s ILE 318 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 60.65 60.32 3hba s ILE 318 Cb 0.00 -2.98 0.06 0.00 0.01 0.00 0.00 42.46 39.54 3hba s ILE 318 CO 0.00 0.59 0.75 0.21 0.00 0.00 0.00 174.94 176.49 3hba s ASN 319 N -0.73 6.26 0.32 3.58 3.84 -1.26 -2.63 114.94 124.32 3hba s ASN 319 Ca 0.12 -0.76 0.24 0.00 0.21 0.00 0.00 52.86 52.67 3hba s ASN 319 Cb -0.12 -2.34 1.17 0.00 -0.55 0.00 0.00 41.25 39.41 3hba s ASN 319 CO 0.02 -1.04 1.72 1.55 -2.79 0.00 0.00 177.10 176.56 3hba h PRO 320 N 9.14 0.00 -0.01 0.43 0.13 -1.88 0.25 132.00 140.06 3hba h PRO 320 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3hba h PRO 320 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3hba h PRO 320 CO 1.02 0.00 -0.13 -0.25 -0.23 0.00 0.00 178.00 178.41 3hba n ASP 321 N -2.31 0.83 0.00 1.44 8.00 -1.26 -4.55 116.55 118.70 3hba n ASP 321 Ca -0.00 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3hba n ASP 321 Cb 0.11 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 3hba n ASP 321 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10