#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lga s THR 2 N 0.00 4.00 0.91 0.00 2.01 -1.26 -1.58 115.64 119.71 1lga s THR 2 Ca 0.00 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 61.60 1lga s THR 2 Cb 0.00 -2.85 0.13 0.00 0.01 0.00 0.00 72.50 69.80 1lga s THR 2 CO 0.00 0.38 1.13 0.00 -0.69 0.00 0.00 174.62 175.44 1lga h ALA 4 N -1.48 1.48 -0.31 0.00 0.00 -1.93 -0.26 119.26 116.76 1lga h ALA 4 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1lga h ALA 4 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1lga h ALA 4 CO 0.62 -0.08 0.00 0.27 0.00 0.00 0.00 179.25 180.06 1lga n ASN 5 N -3.65 2.08 0.00 0.00 0.23 -1.26 -4.88 115.26 107.78 1lga n ASN 5 Ca -0.02 -2.10 0.00 0.00 -0.53 0.00 0.00 54.58 51.93 1lga n ASN 5 Cb 0.14 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 1lga n ASN 5 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1lga n GLY 6 N 0.85 0.95 3.82 4.83 0.00 -0.11 -5.03 105.19 110.50 1lga n GLY 6 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1lga n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lga s LYS 7 N -0.04 4.22 -0.23 1.61 1.02 -1.26 -4.76 119.74 120.30 1lga s LYS 7 Ca 0.00 0.98 -0.09 0.00 0.02 0.00 0.00 55.97 56.88 1lga s LYS 7 Cb 0.00 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.82 1lga s LYS 7 CO 0.00 0.13 0.13 0.99 -0.92 0.00 0.00 175.35 175.67 1lga s THR 8 N -1.95 5.11 0.37 2.17 2.01 -1.26 0.05 115.64 122.15 1lga s THR 8 Ca 0.55 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.69 1lga s THR 8 Cb -0.12 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 1lga s THR 8 CO 0.17 0.38 0.05 0.68 -0.69 0.00 0.00 174.62 175.21 1lga s VAL 9 N 0.92 1.25 0.00 3.82 -7.23 -0.62 -4.93 120.40 113.61 1lga s VAL 9 Ca 0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1lga s VAL 9 Cb -0.13 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1lga s VAL 9 CO 0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 1lga n GLY 10 N -0.83 1.80 3.71 2.32 0.00 -1.26 -0.56 105.19 110.37 1lga n GLY 10 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1lga n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lga s ASP 11 N -1.00 7.07 0.60 1.61 -1.08 -1.26 -3.10 116.67 119.51 1lga s ASP 11 Ca 0.00 2.05 0.30 0.00 -0.52 0.00 0.00 52.55 54.38 1lga s ASP 11 Cb 0.00 -2.58 1.70 0.00 -1.46 0.00 0.00 42.92 40.58 1lga s ASP 11 CO 0.00 -0.47 2.08 0.00 0.52 0.00 0.00 175.17 177.30 1lga h ALA 12 N 6.68 1.72 0.00 3.66 0.00 -1.91 -1.31 119.26 128.10 1lga h ALA 12 Ca -0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1lga h ALA 12 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1lga h ALA 12 CO 0.81 -0.32 -0.07 0.66 0.00 0.00 0.00 179.25 180.33 1lga h SER 13 N 0.00 0.00 0.29 0.00 4.64 -2.00 -1.67 113.55 114.81 1lga h SER 13 Ca 0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1lga h SER 13 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1lga h SER 13 CO -0.00 0.07 -0.14 0.00 -0.87 0.00 0.00 176.83 175.89 1lga h ALA 16 N 1.97 1.00 0.00 0.00 0.00 -1.69 -2.73 119.26 117.82 1lga h ALA 16 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1lga h ALA 16 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1lga h ALA 16 CO -0.00 0.00 -0.02 0.91 0.00 0.00 0.00 179.25 180.14 1lga n TRP 17 N -2.38 0.04 0.05 0.00 7.02 -0.01 -3.21 117.44 118.96 1lga n TRP 17 Ca 0.02 0.01 -0.02 0.00 -1.02 0.00 0.00 57.50 56.49 1lga n TRP 17 Cb 0.24 -0.51 0.23 0.00 -2.42 0.00 0.00 31.31 28.85 1lga n TRP 17 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 1lga h PHE 18 N 0.00 0.41 -0.44 -5.99 0.04 -1.63 0.42 116.94 109.76 1lga h PHE 18 Ca 0.00 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.59 1lga h PHE 18 Cb 0.51 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 1lga h PHE 18 CO 0.00 0.62 -0.10 -0.44 -0.60 0.00 0.00 178.31 177.80 1lga h ASP 19 N 0.33 0.77 -0.18 2.17 3.32 -1.75 -1.67 116.42 119.41 1lga h ASP 19 Ca 0.05 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 1lga h ASP 19 Cb 0.67 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1lga h ASP 19 CO 0.05 0.90 -0.04 0.58 -1.72 0.00 0.00 179.24 179.01 1lga h VAL 20 N 0.71 1.28 -0.36 -1.35 2.07 -1.58 -1.25 116.25 115.78 1lga h VAL 20 Ca 0.12 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.69 1lga h VAL 20 Cb 0.58 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1lga h VAL 20 CO 0.04 0.30 0.10 0.25 0.02 0.00 0.00 177.57 178.27 1lga h LEU 21 N 0.05 0.07 0.10 2.57 5.85 -0.69 -0.37 115.31 122.89 1lga h LEU 21 Ca 0.05 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1lga h LEU 21 Cb 0.47 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1lga h LEU 21 CO 0.02 0.08 -0.20 0.44 -0.34 0.00 0.00 178.44 178.43 1lga h ASP 22 N 0.23 -0.57 0.24 1.25 3.32 -1.27 -0.69 116.42 118.94 1lga h ASP 22 Ca 0.17 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1lga h ASP 22 Cb 0.17 0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1lga h ASP 22 CO -0.20 -0.28 -0.12 -0.78 -1.72 0.00 0.00 179.24 176.14 1lga h ASP 23 N -0.38 -0.27 0.55 6.45 3.58 -0.72 -2.85 116.42 122.77 1lga h ASP 23 Ca 0.03 -0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 1lga h ASP 23 Cb 0.40 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 1lga h ASP 23 CO -0.12 -0.18 -0.46 0.16 -2.88 0.00 0.00 179.24 175.76 1lga h ILE 24 N -0.33 1.24 -0.66 2.25 3.07 -1.02 0.10 117.51 122.16 1lga h ILE 24 Ca -0.03 -1.62 -0.05 0.00 1.55 0.00 0.00 64.86 64.71 1lga h ILE 24 Cb 0.26 1.89 -0.03 0.00 -0.27 0.00 0.00 36.82 38.67 1lga h ILE 24 CO 0.05 0.45 0.22 1.56 -1.05 0.00 0.00 178.15 179.38 1lga h GLN 25 N 0.00 1.01 0.07 0.16 1.08 -1.00 0.16 115.11 116.58 1lga h GLN 25 Ca -0.00 -0.21 -0.10 0.00 -1.45 0.00 0.00 58.65 56.89 1lga h GLN 25 Cb 0.86 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1lga h GLN 25 CO 0.06 0.87 -0.45 0.00 -0.95 0.00 0.00 178.83 178.37 1lga h ALA 26 N 1.09 -0.04 -0.00 3.87 0.00 -1.38 0.12 119.26 122.93 1lga h ALA 26 Ca 0.21 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1lga h ALA 26 Cb 0.27 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1lga h ALA 26 CO -0.01 0.21 -0.91 0.09 0.00 0.00 0.00 179.25 178.63 1lga n ASN 27 N -4.36 1.04 -0.00 0.00 3.02 0.34 -3.16 115.26 112.14 1lga n ASN 27 Ca -0.13 -0.97 -0.01 0.00 -0.03 0.00 0.00 54.58 53.44 1lga n ASN 27 Cb 0.66 0.89 -0.00 0.00 -0.61 0.00 0.00 39.78 40.72 1lga n ASN 27 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1lga n MET 28 N -1.38 0.02 -0.17 3.52 1.56 -0.15 -4.73 117.12 115.80 1lga n MET 28 Ca 0.05 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.57 1lga n MET 28 Cb 0.34 -0.88 0.26 0.00 2.15 0.00 0.00 33.22 35.10 1lga n MET 28 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 1lga n PHE 29 N -2.66 0.44 -3.63 1.12 3.72 0.37 -4.81 117.46 112.02 1lga n PHE 29 Ca -0.01 -0.22 -0.21 0.00 -0.05 0.00 0.00 57.45 56.96 1lga n PHE 29 Cb 0.51 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.10 1lga n PHE 29 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1lga n HIS 30 N 0.71 -1.99 -1.93 1.38 8.25 -1.08 -1.65 115.22 118.91 1lga n HIS 30 Ca 0.16 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.47 1lga n HIS 30 Cb 0.39 -4.49 0.00 0.00 1.12 0.00 0.00 29.99 27.01 1lga n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lga n GLY 31 N -1.48 0.78 2.64 -1.41 0.00 0.35 -4.33 105.19 101.74 1lga n GLY 31 Ca -0.28 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 1lga n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lga n GLY 32 N -0.57 -0.13 3.88 -0.02 0.00 -0.74 -5.00 105.19 102.61 1lga n GLY 32 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1lga n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lga s GLN 33 N -5.38 3.77 -1.01 1.61 -0.21 -0.66 -4.76 119.66 113.01 1lga s GLN 33 Ca 0.23 0.37 -0.01 0.00 0.02 0.00 0.00 55.36 55.97 1lga s GLN 33 Cb -0.10 -2.47 0.32 0.00 1.00 0.00 0.00 33.01 31.76 1lga s GLN 33 CO 0.28 0.06 1.79 0.00 -2.12 0.00 0.00 175.29 175.30 1lga n GLY 35 N -0.03 2.84 0.09 0.00 0.00 -1.26 -4.44 105.19 102.39 1lga n GLY 35 Ca 0.46 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 1lga n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lga h ALA 36 N -0.55 0.18 -0.81 4.61 0.00 -1.92 0.26 119.26 121.02 1lga h ALA 36 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1lga h ALA 36 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1lga h ALA 36 CO 0.00 -0.39 0.36 0.93 0.00 0.00 0.00 179.25 180.15 1lga h GLU 37 N 0.12 1.19 -0.20 0.00 3.07 -1.92 0.25 114.58 117.09 1lga h GLU 37 Ca 0.07 -0.19 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1lga h GLU 37 Cb 0.05 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 1lga h GLU 37 CO -0.08 0.93 0.10 0.00 -1.40 0.00 0.00 179.01 178.56 1lga h ALA 38 N 1.23 0.25 -0.63 3.43 0.00 -1.68 -0.06 119.26 121.81 1lga h ALA 38 Ca 0.28 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1lga h ALA 38 Cb 0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1lga h ALA 38 CO -0.03 -0.21 0.12 0.45 0.00 0.00 0.00 179.25 179.59 1lga h HIS 39 N 0.20 1.06 -0.72 0.00 3.86 -0.09 -1.68 115.15 117.78 1lga h HIS 39 Ca 0.07 -0.13 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 1lga h HIS 39 Cb 0.08 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 1lga h HIS 39 CO -0.03 0.88 0.35 0.93 0.86 0.00 0.00 177.93 180.92 1lga h GLU 40 N 0.95 1.04 -0.25 2.45 5.08 -0.01 -2.10 114.58 121.75 1lga h GLU 40 Ca 0.20 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1lga h GLU 40 Cb 0.38 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1lga h GLU 40 CO 0.01 0.81 -0.31 0.77 -1.00 0.00 0.00 179.01 179.29 1lga h SER 41 N 1.01 0.54 -0.31 1.42 0.02 -0.32 -1.48 113.55 114.43 1lga h SER 41 Ca 0.25 -0.21 -0.16 0.00 -0.84 0.00 0.00 61.79 60.83 1lga h SER 41 Cb 0.11 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1lga h SER 41 CO -0.03 0.82 -0.42 0.40 -1.14 0.00 0.00 176.83 176.46 1lga h ILE 42 N 0.45 1.28 -0.57 3.27 2.04 -1.06 -2.92 117.51 120.00 1lga h ILE 42 Ca 0.06 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.32 1lga h ILE 42 Cb 0.76 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1lga h ILE 42 CO 0.06 0.53 0.37 -0.09 0.00 0.00 0.00 178.15 179.02 1lga h ARG 43 N 0.70 0.76 0.00 2.37 2.43 -1.16 -2.70 114.38 116.79 1lga h ARG 43 Ca 0.05 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1lga h ARG 43 Cb 1.00 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1lga h ARG 43 CO 0.10 0.52 -0.14 1.25 -1.51 0.00 0.00 179.97 180.19 1lga h LEU 44 N 0.77 0.00 -0.42 3.80 5.85 -1.09 -1.64 115.31 122.57 1lga h LEU 44 Ca 0.21 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1lga h LEU 44 Cb -0.07 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1lga h LEU 44 CO -0.04 0.14 0.17 0.58 -0.34 0.00 0.00 178.44 178.94 1lga h VAL 45 N 0.00 0.90 -0.55 1.05 2.07 -1.34 -1.59 116.25 116.79 1lga h VAL 45 Ca -0.00 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1lga h VAL 45 Cb 0.27 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1lga h VAL 45 CO 0.02 0.06 0.27 0.15 0.02 0.00 0.00 177.57 178.09 1lga h PHE 46 N 0.35 0.78 0.00 1.57 3.57 -1.38 -0.51 116.94 121.31 1lga h PHE 46 Ca 0.19 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 1lga h PHE 46 Cb 0.16 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1lga h PHE 46 CO -0.14 0.60 -0.38 0.45 -2.23 0.00 0.00 178.31 176.61 1lga h HIS 47 N 0.74 0.00 0.08 0.41 3.86 -1.41 -0.06 115.15 118.77 1lga h HIS 47 Ca 0.19 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1lga h HIS 47 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1lga h HIS 47 CO -0.01 0.38 -0.04 0.22 0.86 0.00 0.00 177.93 179.35 1lga h ASP 48 N 0.00 -0.09 -0.04 2.45 3.58 -1.06 -3.40 116.42 117.86 1lga h ASP 48 Ca -0.00 -0.50 -0.01 0.00 0.42 0.00 0.00 57.03 56.93 1lga h ASP 48 Cb 1.24 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 1lga h ASP 48 CO 0.05 0.51 -0.03 0.28 -2.88 0.00 0.00 179.24 177.17 1lga h SER 49 N -0.76 0.09 0.54 2.28 0.02 -0.88 -3.30 113.55 111.53 1lga h SER 49 Ca -0.01 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1lga h SER 49 Cb 0.59 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1lga h SER 49 CO 0.02 0.52 0.00 0.00 -1.14 0.00 0.00 176.83 176.23 1lga n ILE 50 N -4.80 0.97 -2.30 3.27 0.13 -0.05 -3.93 119.36 112.65 1lga n ILE 50 Ca -0.08 0.25 -0.42 0.00 -1.10 0.00 0.00 62.75 61.40 1lga n ILE 50 Cb 0.26 -1.03 -0.00 0.00 -0.84 0.00 0.00 39.64 38.03 1lga n ILE 50 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1lga n ALA 51 N -1.55 4.11 -3.50 1.51 0.00 -1.24 -4.79 120.51 115.05 1lga n ALA 51 Ca 0.03 -3.83 -0.12 0.00 0.00 0.00 0.00 53.44 49.52 1lga n ALA 51 Cb 0.18 -3.59 -0.09 0.00 0.00 0.00 0.00 19.45 15.95 1lga n ALA 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1lga s ILE 52 N 4.08 -0.00 -0.29 0.00 2.07 -1.22 -2.02 121.20 123.81 1lga s ILE 52 Ca 0.52 0.02 -0.03 0.00 -1.41 0.00 0.00 60.65 59.75 1lga s ILE 52 Cb 0.07 -0.74 0.11 0.00 0.13 0.00 0.00 42.46 42.03 1lga s ILE 52 CO 0.03 0.01 0.18 -0.55 -1.91 0.00 0.00 174.94 172.70 1lga s SER 53 N 0.65 3.01 0.40 4.50 0.15 0.37 -4.28 113.70 118.49 1lga s SER 53 Ca -0.03 -1.20 0.16 0.00 0.70 0.00 0.00 55.95 55.58 1lga s SER 53 Cb -0.05 -0.12 1.03 0.00 -1.71 0.00 0.00 66.02 65.17 1lga s SER 53 CO -0.04 -0.42 1.84 -0.65 1.20 0.00 0.00 173.24 175.17 1lga h PRO 54 N 8.30 0.45 -0.72 5.44 0.11 -1.88 -2.04 132.00 141.66 1lga h PRO 54 Ca -0.17 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.87 1lga h PRO 54 Cb 1.03 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 1lga h PRO 54 CO 0.40 0.30 0.26 0.00 -0.21 0.00 0.00 178.00 178.75 1lga h ALA 55 N 1.61 1.11 -0.29 -0.75 0.00 -1.93 -2.15 119.26 116.85 1lga h ALA 55 Ca 0.49 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1lga h ALA 55 Cb 1.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1lga h ALA 55 CO -0.21 0.63 -0.16 1.98 0.00 0.00 0.00 179.25 181.49 1lga h MET 56 N 1.05 0.62 -0.85 0.00 4.05 -1.69 -2.94 114.93 115.18 1lga h MET 56 Ca 0.24 -0.28 0.09 0.00 -0.28 0.00 0.00 59.70 59.46 1lga h MET 56 Cb 0.24 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.96 1lga h MET 56 CO -0.02 0.86 0.56 0.93 0.23 0.00 0.00 176.91 179.47 1lga h GLU 57 N 0.37 0.85 0.00 0.39 4.39 -1.05 -1.24 114.58 118.29 1lga h GLU 57 Ca 0.06 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1lga h GLU 57 Cb 0.69 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1lga h GLU 57 CO 0.05 0.56 -0.01 0.00 -1.16 0.00 0.00 179.01 178.45 1lga h ALA 58 N 1.56 1.01 -3.47 3.43 0.00 -1.21 -3.38 119.26 117.19 1lga h ALA 58 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1lga h ALA 58 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1lga h ALA 58 CO -0.15 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.74 1lga n LYS 59 N -3.11 1.70 -1.27 0.00 4.76 -0.48 -4.95 118.16 114.80 1lga n LYS 59 Ca -0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 1lga n LYS 59 Cb 0.25 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.37 1lga n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1lga n GLY 60 N 5.00 3.95 3.56 0.72 0.00 -1.26 -4.92 105.19 112.25 1lga n GLY 60 Ca 0.00 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 1lga n GLY 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lga s LYS 61 N 1.48 0.74 0.08 1.61 2.36 -1.16 -5.06 119.74 119.79 1lga s LYS 61 Ca 0.68 0.95 -0.31 0.00 -2.55 0.00 0.00 55.97 54.74 1lga s LYS 61 Cb 0.23 0.33 -0.08 0.00 -1.05 0.00 0.00 37.83 37.25 1lga s LYS 61 CO -0.05 -0.10 1.54 0.12 1.55 0.00 0.00 175.35 178.41 1lga s PHE 62 N 0.57 2.76 -0.22 4.03 5.36 -1.26 -2.34 117.98 126.88 1lga s PHE 62 Ca -0.02 0.58 0.16 0.00 -0.96 0.00 0.00 56.93 56.69 1lga s PHE 62 Cb -0.05 -3.85 0.66 0.00 -0.34 0.00 0.00 43.02 39.44 1lga s PHE 62 CO -0.03 -3.25 1.57 0.41 -1.46 0.00 0.00 175.22 172.46 1lga n GLY 63 N 3.80 3.58 0.00 13.12 0.00 -1.26 -4.71 105.19 119.71 1lga n GLY 63 Ca 0.14 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1lga n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lga n GLY 64 N -0.00 -0.25 0.92 -0.02 0.00 -1.26 -0.48 105.19 104.09 1lga n GLY 64 Ca 0.24 -1.60 0.08 0.00 0.00 0.00 0.00 46.02 44.74 1lga n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lga n GLY 65 N 0.12 4.10 7.00 -0.02 0.00 -1.18 -4.39 105.19 110.81 1lga n GLY 65 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1lga n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lga n GLY 66 N -0.56 0.76 3.52 -0.02 0.00 -0.86 -4.27 105.19 103.77 1lga n GLY 66 Ca 0.22 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 1lga n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lga n ALA 67 N 6.86 2.68 -0.55 4.61 0.00 -0.24 -4.11 120.51 129.76 1lga n ALA 67 Ca 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 53.44 50.06 1lga n ALA 67 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 15.91 1lga n ALA 67 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1lga n ASP 68 N 11.48 0.75 -0.41 0.00 5.75 -1.26 -4.85 116.55 128.01 1lga n ASP 68 Ca 0.47 -1.30 -0.05 0.00 -0.01 0.00 0.00 54.79 53.89 1lga n ASP 68 Cb 0.46 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.52 1lga n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lga n GLY 69 N -0.15 0.78 0.25 6.12 0.00 -1.26 -1.66 105.19 109.27 1lga n GLY 69 Ca 0.00 -0.59 0.14 0.00 0.00 0.00 0.00 46.02 45.57 1lga n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1lga h SER 70 N 0.00 0.00 1.20 1.61 4.64 -1.90 -1.69 113.55 117.41 1lga h SER 70 Ca -0.11 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.16 1lga h SER 70 Cb 0.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1lga h SER 70 CO 0.16 0.09 -0.27 -0.29 -0.87 0.00 0.00 176.83 175.66 1lga h ILE 71 N 0.00 0.56 0.00 0.95 2.10 -1.90 1.00 117.51 120.21 1lga h ILE 71 Ca -0.00 -1.38 -0.13 0.00 1.08 0.00 0.00 64.86 64.43 1lga h ILE 71 Cb 0.66 1.96 -0.02 0.00 -1.09 0.00 0.00 36.82 38.33 1lga h ILE 71 CO 0.01 0.26 -0.77 -0.03 -1.08 0.00 0.00 178.15 176.54 1lga h MET 72 N 0.00 0.00 -0.56 2.19 4.05 -1.75 -3.04 114.93 115.81 1lga h MET 72 Ca -0.00 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.48 1lga h MET 72 Cb 0.94 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.68 1lga h MET 72 CO 0.03 0.80 0.27 0.82 0.23 0.00 0.00 176.91 179.07 1lga h ILE 73 N -1.00 0.91 -1.66 1.77 2.04 -1.31 -2.93 117.51 115.32 1lga h ILE 73 Ca -0.19 -0.17 -0.63 0.00 1.00 0.00 0.00 64.86 64.86 1lga h ILE 73 Cb 1.04 0.35 -0.38 0.00 -0.74 0.00 0.00 36.82 37.09 1lga h ILE 73 CO -0.12 0.09 -0.29 0.49 0.00 0.00 0.00 178.15 178.33 1lga n PHE 74 N -4.90 3.33 -0.19 1.37 3.72 0.34 -4.82 117.46 116.31 1lga n PHE 74 Ca 0.06 -2.95 -0.04 0.00 -0.05 0.00 0.00 57.45 54.47 1lga n PHE 74 Cb 0.18 -0.36 0.15 0.00 -0.94 0.00 0.00 39.48 38.50 1lga n PHE 74 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1lga h ASP 75 N 2.71 0.90 -0.93 4.37 2.03 -1.39 -0.52 116.42 123.58 1lga h ASP 75 Ca 0.36 -0.15 0.20 0.00 -0.73 0.00 0.00 57.03 56.71 1lga h ASP 75 Cb 0.69 -0.23 -0.07 0.00 -0.83 0.00 0.00 39.33 38.88 1lga h ASP 75 CO 0.99 0.84 0.60 0.74 -1.03 0.00 0.00 179.24 181.39 1lga h THR 76 N 0.94 0.69 0.00 1.15 2.02 -1.87 0.31 112.91 116.15 1lga h THR 76 Ca 0.21 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 67.09 1lga h THR 76 Cb 0.26 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1lga h THR 76 CO -0.01 0.09 -0.84 0.40 0.37 0.00 0.00 175.52 175.53 1lga h ILE 77 N 0.50 0.67 -0.18 3.11 2.04 -1.85 -3.39 117.51 118.41 1lga h ILE 77 Ca 0.49 -1.77 -0.16 0.00 1.00 0.00 0.00 64.86 64.42 1lga h ILE 77 Cb 1.10 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1lga h ILE 77 CO -0.22 0.23 -0.55 -0.33 0.00 0.00 0.00 178.15 177.27 1lga h GLU 78 N -1.00 0.54 0.00 2.37 5.08 -0.89 -2.97 114.58 117.71 1lga h GLU 78 Ca -0.19 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1lga h GLU 78 Cb 0.96 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1lga h GLU 78 CO -0.12 0.95 0.00 0.25 -1.00 0.00 0.00 179.01 179.10 1lga n THR 79 N -3.95 0.51 0.83 1.13 -2.24 0.08 -1.68 114.28 108.95 1lga n THR 79 Ca -0.03 0.09 0.14 0.00 -2.27 0.00 0.00 64.05 61.97 1lga n THR 79 Cb 0.61 -0.76 0.52 0.00 -2.10 0.00 0.00 70.33 68.60 1lga n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lga n ALA 80 N -1.55 2.30 -1.95 6.98 0.00 -1.12 -4.48 120.51 120.69 1lga n ALA 80 Ca 0.05 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1lga n ALA 80 Cb 0.27 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 1lga n ALA 80 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1lga s PHE 81 N -3.05 3.08 0.39 0.00 0.08 -0.68 -4.91 117.98 112.89 1lga s PHE 81 Ca 0.12 0.90 0.16 0.00 0.12 0.00 0.00 56.93 58.23 1lga s PHE 81 Cb 0.16 -3.82 1.02 0.00 -0.57 0.00 0.00 43.02 39.81 1lga s PHE 81 CO 0.56 -2.82 1.81 1.25 -0.10 0.00 0.00 175.22 175.92 1lga h HIS 82 N 5.88 0.68 0.00 0.36 -0.00 -1.90 0.67 115.15 120.85 1lga h HIS 82 Ca -0.44 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 1lga h HIS 82 Cb 1.21 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1lga h HIS 82 CO 0.63 0.14 0.00 -1.35 -0.00 0.00 0.00 177.93 177.34 1lga h PRO 83 N 0.48 0.00 -0.46 5.26 0.11 -1.90 -2.98 132.00 132.51 1lga h PRO 83 Ca 0.53 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.59 1lga h PRO 83 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1lga h PRO 83 CO -0.25 0.00 0.05 0.09 -0.21 0.00 0.00 178.00 177.68 1lga n ASN 84 N -2.98 4.59 -4.67 -2.05 3.02 0.23 -5.00 115.26 108.40 1lga n ASN 84 Ca -0.02 -3.08 -0.44 0.00 -0.03 0.00 0.00 54.58 51.01 1lga n ASN 84 Cb 0.10 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.61 1lga n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lga n ILE 85 N -0.12 1.62 0.00 2.41 3.06 -1.13 -1.08 119.36 124.12 1lga n ILE 85 Ca 0.28 -0.40 0.00 0.00 -2.50 0.00 0.00 62.75 60.13 1lga n ILE 85 Cb 1.10 -1.44 0.00 0.00 0.54 0.00 0.00 39.64 39.84 1lga n ILE 85 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1lga n GLY 86 N 1.33 2.93 0.01 4.50 0.00 -1.26 -4.87 105.19 107.82 1lga n GLY 86 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 1lga n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lga n LEU 87 N 0.00 0.13 -0.01 0.99 4.77 -0.24 -2.76 117.00 119.89 1lga n LEU 87 Ca 0.00 0.41 0.07 0.00 -0.03 0.00 0.00 56.01 56.47 1lga n LEU 87 Cb 0.00 -0.44 0.47 0.00 -2.33 0.00 0.00 43.42 41.12 1lga n LEU 87 CO 0.00 0.01 1.16 -2.24 -1.33 0.00 0.00 177.39 175.00 1lga h ASP 88 N 0.00 0.39 0.08 -1.43 2.03 -1.82 -0.88 116.42 114.78 1lga h ASP 88 Ca 0.00 -0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.08 1lga h ASP 88 Cb 0.51 -0.09 0.01 0.00 -0.83 0.00 0.00 39.33 38.93 1lga h ASP 88 CO 0.00 0.26 -0.84 -0.33 -1.03 0.00 0.00 179.24 177.30 1lga h GLU 89 N 0.45 0.60 -0.24 4.15 4.39 -1.92 -2.26 114.58 119.75 1lga h GLU 89 Ca 0.18 -0.54 -0.12 0.00 0.34 0.00 0.00 59.36 59.22 1lga h GLU 89 Cb 0.18 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1lga h GLU 89 CO -0.05 1.16 -0.31 0.28 -1.16 0.00 0.00 179.01 178.94 1lga h VAL 90 N 0.39 1.32 -0.24 3.13 2.07 -1.51 -1.11 116.25 120.31 1lga h VAL 90 Ca -0.06 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 65.96 1lga h VAL 90 Cb 1.46 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1lga h VAL 90 CO 0.16 0.47 0.14 0.58 0.02 0.00 0.00 177.57 178.94 1lga h VAL 91 N 0.34 1.04 -0.60 2.57 2.07 -1.24 -1.52 116.25 118.90 1lga h VAL 91 Ca 0.03 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1lga h VAL 91 Cb 0.89 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1lga h VAL 91 CO 0.07 0.05 0.36 0.00 0.02 0.00 0.00 177.57 178.07 1lga h ALA 92 N 1.10 1.49 -0.61 1.67 0.00 -1.29 0.16 119.26 121.78 1lga h ALA 92 Ca 0.09 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1lga h ALA 92 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1lga h ALA 92 CO -0.03 0.44 0.06 1.98 0.00 0.00 0.00 179.25 181.70 1lga h MET 93 N 0.83 1.03 0.15 0.00 -1.53 -0.88 -3.32 114.93 111.20 1lga h MET 93 Ca 0.22 -0.28 -0.32 0.00 -3.44 0.00 0.00 59.70 55.87 1lga h MET 93 Cb -0.02 -0.12 0.00 0.00 -0.55 0.00 0.00 31.60 30.92 1lga h MET 93 CO -0.04 0.97 -1.61 1.96 0.14 0.00 0.00 176.91 178.33 1lga h GLN 94 N 0.96 0.32 -0.87 0.39 4.20 -0.14 -3.39 115.11 116.57 1lga h GLN 94 Ca 0.18 -0.54 0.17 0.00 0.06 0.00 0.00 58.65 58.53 1lga h GLN 94 Cb 0.46 0.20 -0.16 0.00 0.30 0.00 0.00 27.48 28.28 1lga h GLN 94 CO 0.02 1.20 -0.22 0.87 -0.67 0.00 0.00 178.83 180.03 1lga h LYS 95 N 0.09 -0.00 -0.92 1.46 1.57 -0.84 -1.53 116.57 116.39 1lga h LYS 95 Ca -0.28 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 58.77 1lga h LYS 95 Cb 2.05 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 34.22 1lga h LYS 95 CO 0.17 -0.00 0.34 -1.35 -0.57 0.00 0.00 179.45 178.04 1lga h PRO 96 N -0.00 0.23 -0.15 3.15 0.11 -1.76 -1.35 132.00 132.23 1lga h PRO 96 Ca 0.41 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.35 1lga h PRO 96 Cb 0.63 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1lga h PRO 96 CO -0.89 0.16 -0.58 0.74 -0.21 0.00 0.00 178.00 177.21 1lga h PHE 97 N 0.24 0.61 0.07 0.65 0.04 -1.55 0.73 116.94 117.73 1lga h PHE 97 Ca 0.61 -0.22 -0.00 0.00 2.80 0.00 0.00 57.97 61.16 1lga h PHE 97 Cb 1.30 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1lga h PHE 97 CO -0.19 0.94 -0.03 0.28 -0.60 0.00 0.00 178.31 178.71 1lga h VAL 98 N 0.36 1.09 -0.71 -0.55 2.07 -1.25 -0.60 116.25 116.66 1lga h VAL 98 Ca -0.00 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1lga h VAL 98 Cb 1.12 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1lga h VAL 98 CO 0.10 0.13 0.44 1.56 0.02 0.00 0.00 177.57 179.83 1lga h GLN 99 N -0.33 0.95 -0.43 1.57 7.50 -1.34 0.80 115.11 123.82 1lga h GLN 99 Ca -0.01 -0.07 -0.08 0.00 0.50 0.00 0.00 58.65 58.99 1lga h GLN 99 Cb 0.29 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.60 1lga h GLN 99 CO 0.01 0.65 -0.07 -0.22 -1.50 0.00 0.00 178.83 177.71 1lga h LYS 100 N 0.96 0.75 0.00 1.46 3.64 -0.64 -3.22 116.57 119.52 1lga h LYS 100 Ca 0.26 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1lga h LYS 100 Cb -0.07 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1lga h LYS 100 CO -0.05 0.80 -1.01 0.72 -2.27 0.00 0.00 179.45 177.64 1lga n HIS 101 N -4.19 0.40 -3.19 1.91 8.25 -0.25 -4.99 115.22 113.16 1lga n HIS 101 Ca 0.02 0.12 -0.18 0.00 -0.26 0.00 0.00 57.72 57.42 1lga n HIS 101 Cb 0.33 -0.55 0.05 0.00 1.12 0.00 0.00 29.99 30.94 1lga n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lga n GLY 102 N 1.33 -0.19 3.88 -1.41 0.00 0.25 -5.04 105.19 104.02 1lga n GLY 102 Ca 0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1lga n GLY 102 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1lga s VAL 103 N -3.18 4.53 0.42 1.61 -7.23 -1.23 -5.10 120.40 110.22 1lga s VAL 103 Ca 0.38 -1.26 -0.24 0.00 -1.81 0.00 0.00 61.98 59.06 1lga s VAL 103 Cb -0.17 -3.50 -0.09 0.00 0.56 0.00 0.00 36.38 33.18 1lga s VAL 103 CO 0.48 -0.31 1.08 0.42 -0.31 0.00 0.00 175.10 176.46 1lga s THR 104 N -2.12 3.57 0.25 5.32 -4.23 -1.26 -4.85 115.64 112.32 1lga s THR 104 Ca 0.35 1.19 -0.03 0.00 -1.18 0.00 0.00 61.69 62.01 1lga s THR 104 Cb -0.08 -3.60 0.24 0.00 1.34 0.00 0.00 72.50 70.40 1lga s THR 104 CO 0.27 -0.01 1.70 -0.65 -0.54 0.00 0.00 174.62 175.39 1lga h PRO 105 N 2.35 0.33 -0.57 3.99 0.11 -1.90 -2.48 132.00 133.84 1lga h PRO 105 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1lga h PRO 105 Cb 1.22 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1lga h PRO 105 CO 0.62 0.22 0.30 0.78 -0.21 0.00 0.00 178.00 179.70 1lga h GLY 106 N 0.34 0.86 1.50 -0.55 0.00 -1.81 -1.38 103.07 102.02 1lga h GLY 106 Ca 0.44 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 1lga h GLY 106 CO -0.49 0.38 -0.23 -0.55 0.00 0.00 0.00 176.54 175.65 1lga h ASP 107 N 0.77 0.59 -0.27 0.19 3.32 -1.69 -2.29 116.42 117.05 1lga h ASP 107 Ca 0.20 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1lga h ASP 107 Cb 0.07 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1lga h ASP 107 CO -0.03 0.81 0.09 0.15 -1.72 0.00 0.00 179.24 178.54 1lga h PHE 108 N 0.52 0.42 -0.38 4.55 3.57 -1.15 0.65 116.94 125.12 1lga h PHE 108 Ca 0.08 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1lga h PHE 108 Cb 0.68 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1lga h PHE 108 CO 0.03 0.45 0.22 0.82 -2.23 0.00 0.00 178.31 177.60 1lga h ILE 109 N 0.27 1.14 -0.18 1.41 2.04 -1.05 0.91 117.51 122.05 1lga h ILE 109 Ca 0.09 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 1lga h ILE 109 Cb 0.22 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1lga h ILE 109 CO -0.00 0.14 -0.28 0.00 0.00 0.00 0.00 178.15 178.01 1lga h ALA 110 N 1.08 1.18 0.06 1.87 0.00 -1.28 -2.41 119.26 119.76 1lga h ALA 110 Ca 0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1lga h ALA 110 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1lga h ALA 110 CO -0.02 0.53 -0.03 0.35 0.00 0.00 0.00 179.25 180.08 1lga h PHE 111 N 0.31 -0.07 -0.60 0.00 3.57 -0.33 -2.78 116.94 117.04 1lga h PHE 111 Ca 0.04 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1lga h PHE 111 Cb 0.66 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 1lga h PHE 111 CO 0.02 0.19 0.13 0.00 -2.23 0.00 0.00 178.31 176.42 1lga h ALA 112 N 0.59 1.11 -0.80 2.41 0.00 -0.76 -1.26 119.26 120.56 1lga h ALA 112 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1lga h ALA 112 Cb 0.29 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1lga h ALA 112 CO 0.01 0.59 0.42 0.78 0.00 0.00 0.00 179.25 181.05 1lga h GLY 113 N 1.02 1.21 1.11 0.00 0.00 -1.45 0.47 103.07 105.43 1lga h GLY 113 Ca 0.19 -0.56 -0.24 0.00 0.00 0.00 0.00 47.33 46.72 1lga h GLY 113 CO 0.00 0.54 -0.94 0.00 0.00 0.00 0.00 176.54 176.13 1lga h ALA 114 N 1.33 0.11 -0.42 3.60 0.00 -1.16 -2.49 119.26 120.24 1lga h ALA 114 Ca 0.28 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1lga h ALA 114 Cb 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1lga h ALA 114 CO -0.04 0.61 0.05 0.28 0.00 0.00 0.00 179.25 180.15 1lga h VAL 115 N 0.28 1.25 -0.41 0.00 2.07 -1.10 -1.52 116.25 116.83 1lga h VAL 115 Ca -0.12 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.56 1lga h VAL 115 Cb 1.61 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 32.35 1lga h VAL 115 CO 0.19 0.31 -0.02 0.00 0.02 0.00 0.00 177.57 178.07 1lga h ALA 116 N 0.92 0.35 -0.26 1.67 0.00 -0.92 -2.20 119.26 118.83 1lga h ALA 116 Ca 0.12 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1lga h ALA 116 Cb 0.40 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1lga h ALA 116 CO 0.01 -0.41 -0.22 -0.07 0.00 0.00 0.00 179.25 178.56 1lga h LEU 117 N 0.08 0.48 -2.21 0.00 3.38 -1.23 -2.40 115.31 113.41 1lga h LEU 117 Ca 0.20 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1lga h LEU 117 Cb 0.29 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1lga h LEU 117 CO -0.35 0.71 0.00 0.77 0.09 0.00 0.00 178.44 179.66 1lga h SER 118 N 0.43 0.00 0.94 -0.43 4.64 -0.65 0.13 113.55 118.61 1lga h SER 118 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1lga h SER 118 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1lga h SER 118 CO 0.04 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.59 1lga n ASN 119 N -2.99 0.00 -4.48 4.97 3.02 -0.90 -4.36 115.26 110.51 1lga n ASN 119 Ca -0.01 0.49 -0.42 0.00 -0.03 0.00 0.00 54.58 54.60 1lga n ASN 119 Cb 0.16 -0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 38.74 1lga n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lga n PRO 121 N 5.33 1.39 0.00 0.00 -0.02 -1.25 -1.82 135.00 138.64 1lga n PRO 121 Ca -0.10 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1lga n PRO 121 Cb 0.48 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1lga n PRO 121 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lga n GLY 122 N 1.19 1.86 3.74 -1.23 0.00 0.14 -0.86 105.19 110.02 1lga n GLY 122 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1lga n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lga s ALA 123 N -2.33 2.38 1.13 4.61 0.00 -0.75 -4.81 121.76 121.98 1lga s ALA 123 Ca 0.00 1.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.92 1lga s ALA 123 Cb 0.00 -3.50 0.27 0.00 0.00 0.00 0.00 23.12 19.88 1lga s ALA 123 CO 0.00 -1.52 1.04 -2.14 0.00 0.00 0.00 175.76 173.14 1lga s PRO 124 N -3.47 -0.67 -0.44 0.00 0.02 -1.26 -4.76 135.00 124.42 1lga s PRO 124 Ca 0.79 0.85 -0.26 0.00 0.02 0.00 0.00 61.00 62.41 1lga s PRO 124 Cb -0.34 -1.58 0.02 0.00 0.02 0.00 0.00 34.50 32.63 1lga s PRO 124 CO 0.39 -3.56 0.94 -1.14 -0.33 0.00 0.00 177.00 173.29 1lga s GLN 125 N -4.53 3.63 0.43 5.54 2.00 -1.26 -4.70 119.66 120.77 1lga s GLN 125 Ca 0.68 0.30 -0.18 0.00 -2.00 0.00 0.00 55.36 54.16 1lga s GLN 125 Cb -0.24 -3.89 -0.10 0.00 0.80 0.00 0.00 33.01 29.58 1lga s GLN 125 CO 0.63 -1.16 0.91 -1.64 -0.50 0.00 0.00 175.29 173.54 1lga s MET 126 N 3.72 4.09 0.29 1.67 -1.94 -1.26 -5.01 119.30 120.87 1lga s MET 126 Ca 0.38 0.97 -0.01 0.00 -1.71 0.00 0.00 55.69 55.32 1lga s MET 126 Cb -0.10 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 1lga s MET 126 CO 0.25 -0.06 0.50 -0.80 -0.01 0.00 0.00 175.02 174.90 1lga s ASN 127 N -2.49 6.36 -0.21 3.03 -0.87 -1.26 -4.79 114.94 114.70 1lga s ASN 127 Ca 0.59 0.49 -0.05 0.00 -1.57 0.00 0.00 52.86 52.32 1lga s ASN 127 Cb -0.09 -2.05 0.11 0.00 -0.02 0.00 0.00 41.25 39.19 1lga s ASN 127 CO 0.20 -0.20 0.41 0.12 -2.57 0.00 0.00 177.10 175.05 1lga s PHE 128 N -2.14 -0.82 -0.06 2.20 5.36 -1.26 -4.86 117.98 116.40 1lga s PHE 128 Ca 0.40 1.31 0.03 0.00 -0.96 0.00 0.00 56.93 57.71 1lga s PHE 128 Cb -0.10 0.22 -0.03 0.00 -0.34 0.00 0.00 43.02 42.77 1lga s PHE 128 CO 0.33 -0.56 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.34 1lga s PHE 129 N 2.60 2.76 0.46 10.12 0.40 -1.26 -0.05 117.98 133.00 1lga s PHE 129 Ca 0.03 -0.15 0.08 0.00 -0.60 0.00 0.00 56.93 56.30 1lga s PHE 129 Cb -0.13 -1.66 0.02 0.00 0.51 0.00 0.00 43.02 41.76 1lga s PHE 129 CO -0.14 0.19 0.60 0.95 0.70 0.00 0.00 175.22 177.52 1lga s THR 130 N -0.67 2.75 0.00 0.64 -4.23 0.60 -4.86 115.64 109.86 1lga s THR 130 Ca 0.10 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 1lga s THR 130 Cb -0.11 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1lga s THR 130 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1lga n GLY 131 N -1.91 0.89 3.55 3.99 0.00 -1.26 -1.98 105.19 108.47 1lga n GLY 131 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1lga n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lga s ARG 132 N 0.00 3.46 0.57 1.61 0.52 -1.26 -4.96 118.95 118.88 1lga s ARG 132 Ca 0.00 0.02 -0.20 0.00 -0.52 0.00 0.00 55.73 55.03 1lga s ARG 132 Cb 0.00 -3.97 -0.04 0.00 0.52 0.00 0.00 34.95 31.46 1lga s ARG 132 CO 0.00 -1.33 1.23 0.15 0.02 0.00 0.00 175.30 175.37 1lga s LYS 133 N 3.86 3.09 0.06 3.54 1.02 -1.26 -4.46 119.74 125.58 1lga s LYS 133 Ca 0.35 1.90 -0.36 0.00 0.02 0.00 0.00 55.97 57.88 1lga s LYS 133 Cb -0.11 -2.05 -0.16 0.00 -0.52 0.00 0.00 37.83 34.99 1lga s LYS 133 CO 0.24 -1.13 1.44 -2.30 -0.92 0.00 0.00 175.35 172.68 1lga n PRO 134 N -1.35 1.36 -1.69 -1.68 -0.02 -1.26 -4.73 135.00 125.62 1lga n PRO 134 Ca 0.12 0.49 -0.37 0.00 -2.02 0.00 0.00 63.50 61.73 1lga n PRO 134 Cb 0.48 -2.17 0.07 0.00 -0.02 0.00 0.00 33.50 31.87 1lga n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lga n ALA 135 N 3.08 1.03 0.48 3.55 0.00 -0.66 -4.95 120.51 123.04 1lga n ALA 135 Ca 0.19 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.67 1lga n ALA 135 Cb 0.21 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 1lga n ALA 135 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1lga n THR 136 N -1.97 0.00 -3.80 0.00 -2.24 -1.26 -4.99 114.28 100.02 1lga n THR 136 Ca 0.16 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 1lga n THR 136 Cb 0.48 0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 69.53 1lga n THR 136 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1lga s GLN 137 N -2.08 0.21 0.78 -0.78 -0.21 -1.26 -5.15 119.66 111.16 1lga s GLN 137 Ca 0.04 0.29 -0.13 0.00 0.02 0.00 0.00 55.36 55.57 1lga s GLN 137 Cb 0.08 0.07 0.07 0.00 1.00 0.00 0.00 33.01 34.23 1lga s GLN 137 CO 0.45 -0.04 1.17 -1.25 -2.12 0.00 0.00 175.29 173.49 1lga s PRO 138 N 0.25 1.92 0.45 2.91 0.04 -1.26 -4.79 135.00 134.51 1lga s PRO 138 Ca -0.01 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 62.41 1lga s PRO 138 Cb -0.03 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 1lga s PRO 138 CO -0.01 -1.97 1.00 0.00 0.04 0.00 0.00 177.00 176.07 1lga s ALA 139 N -2.32 2.97 0.95 8.56 0.00 -1.26 -4.70 121.76 125.97 1lga s ALA 139 Ca 0.70 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 1lga s ALA 139 Cb -0.25 -3.21 0.16 0.00 0.00 0.00 0.00 23.12 19.82 1lga s ALA 139 CO 0.50 -0.12 1.09 -1.25 0.00 0.00 0.00 175.76 175.98 1lga s PRO 140 N -3.09 0.77 0.91 0.00 0.04 -1.26 -4.87 135.00 127.50 1lga s PRO 140 Ca 0.64 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.36 1lga s PRO 140 Cb -0.14 -1.75 0.20 0.00 0.04 0.00 0.00 34.50 32.85 1lga s PRO 140 CO 0.18 -2.57 1.24 -3.47 0.04 0.00 0.00 177.00 172.43 1lga n ASP 141 N -4.11 0.48 0.00 6.66 2.03 -1.26 -4.36 116.55 115.99 1lga n ASP 141 Ca 0.06 -1.68 0.00 0.00 0.52 0.00 0.00 54.79 53.69 1lga n ASP 141 Cb 0.55 -0.91 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 1lga n ASP 141 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lga n GLY 142 N -3.46 0.68 0.00 0.27 0.00 -1.26 -4.92 105.19 96.51 1lga n GLY 142 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 1lga n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lga n LEU 143 N 0.00 0.07 -4.70 0.99 4.77 -1.26 -4.93 117.00 111.94 1lga n LEU 143 Ca 0.00 -0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.48 1lga n LEU 143 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1lga n LEU 143 CO 0.00 0.02 -0.08 -0.69 -1.33 0.00 0.00 177.39 175.31 1lga s VAL 144 N -2.15 5.33 0.71 4.08 1.01 -1.26 -4.67 120.40 123.46 1lga s VAL 144 Ca -0.01 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 1lga s VAL 144 Cb 0.04 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1lga s VAL 144 CO 0.23 0.36 1.12 -2.65 0.00 0.00 0.00 175.10 174.16 1lga n PRO 145 N 3.93 0.64 -4.17 2.72 -0.02 -1.26 -4.82 135.00 132.02 1lga n PRO 145 Ca -0.13 0.28 -0.30 0.00 -2.02 0.00 0.00 63.50 61.33 1lga n PRO 145 Cb 0.52 -2.36 -0.09 0.00 -0.02 0.00 0.00 33.50 31.55 1lga n PRO 145 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1lga s GLU 146 N -3.49 2.41 0.00 -0.52 0.41 -1.26 -4.90 118.70 111.36 1lga s GLU 146 Ca 0.76 -0.89 0.03 0.00 -0.41 0.00 0.00 54.97 54.46 1lga s GLU 146 Cb -0.35 -2.46 0.12 0.00 -1.78 0.00 0.00 34.13 29.66 1lga s GLU 146 CO 0.47 0.53 0.99 -0.35 -0.49 0.00 0.00 175.26 176.42 1lga n PRO 147 N 0.66 0.02 -0.12 0.39 -0.04 -1.26 -1.79 135.00 132.85 1lga n PRO 147 Ca -0.12 0.36 0.05 0.00 -0.04 0.00 0.00 63.50 63.76 1lga n PRO 147 Cb 0.52 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.60 1lga n PRO 147 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1lga n PHE 148 N -1.39 0.31 -2.04 0.54 -1.74 -1.26 -2.48 117.46 109.39 1lga n PHE 148 Ca 0.01 -0.34 -0.32 0.00 -0.56 0.00 0.00 57.45 56.25 1lga n PHE 148 Cb 0.03 -0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.01 1lga n PHE 148 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 1lga s HIS 149 N -0.97 3.30 0.67 2.97 3.76 -0.74 -5.00 115.29 119.28 1lga s HIS 149 Ca 0.19 1.43 -0.11 0.00 -0.15 0.00 0.00 55.06 56.43 1lga s HIS 149 Cb 0.11 -2.85 -0.01 0.00 1.11 0.00 0.00 32.58 30.94 1lga s HIS 149 CO 0.15 -0.80 1.05 0.95 -0.85 0.00 0.00 174.74 175.25 1lga s THR 150 N -2.77 4.19 0.14 1.30 -4.23 -1.26 -4.68 115.64 108.33 1lga s THR 150 Ca 0.59 0.71 -0.19 0.00 -1.18 0.00 0.00 61.69 61.63 1lga s THR 150 Cb -0.13 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1lga s THR 150 CO 0.42 -0.93 1.70 0.58 -0.54 0.00 0.00 174.62 175.85 1lga h VAL 151 N -0.59 0.77 -0.73 2.29 2.07 -1.95 -1.86 116.25 116.24 1lga h VAL 151 Ca -0.44 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 67.23 1lga h VAL 151 Cb 1.21 0.73 -0.12 0.00 -1.52 0.00 0.00 31.29 31.58 1lga h VAL 151 CO 0.59 0.01 0.03 0.44 0.02 0.00 0.00 177.57 178.66 1lga h ASP 152 N 0.04 -0.29 -0.15 0.57 3.32 -1.99 -0.49 116.42 117.42 1lga h ASP 152 Ca 0.13 0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.37 1lga h ASP 152 Cb 0.18 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1lga h ASP 152 CO -0.24 -0.15 0.06 -0.61 -1.72 0.00 0.00 179.24 176.58 1lga h GLN 153 N 0.12 0.14 -0.15 3.56 4.15 -1.85 -1.39 115.11 119.70 1lga h GLN 153 Ca 0.40 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.79 1lga h GLN 153 Cb 0.70 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1lga h GLN 153 CO -0.63 0.09 -0.01 0.82 -1.93 0.00 0.00 178.83 177.18 1lga h ILE 154 N 0.14 1.26 -0.22 2.39 1.08 -0.48 0.85 117.51 122.54 1lga h ILE 154 Ca 0.06 -0.87 0.04 0.00 -0.39 0.00 0.00 64.86 63.70 1lga h ILE 154 Cb 0.03 1.55 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 1lga h ILE 154 CO -0.06 0.26 -0.00 0.40 -0.69 0.00 0.00 178.15 178.06 1lga h ILE 155 N -0.01 0.84 -0.78 -0.67 2.04 -1.06 -0.92 117.51 116.95 1lga h ILE 155 Ca 0.04 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1lga h ILE 155 Cb 0.39 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1lga h ILE 155 CO 0.01 0.01 0.41 0.00 0.00 0.00 0.00 178.15 178.58 1lga h ALA 156 N 1.19 1.01 -0.31 1.87 0.00 -1.19 -0.71 119.26 121.11 1lga h ALA 156 Ca 0.10 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1lga h ALA 156 Cb 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1lga h ALA 156 CO -0.18 0.54 0.07 0.00 0.00 0.00 0.00 179.25 179.68 1lga h ARG 157 N 1.09 0.18 -0.14 0.00 2.47 -0.12 -1.27 114.38 116.60 1lga h ARG 157 Ca 0.27 -0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.83 1lga h ARG 157 Cb 0.06 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1lga h ARG 157 CO -0.04 0.12 -0.57 -0.24 0.56 0.00 0.00 179.97 179.80 1lga h VAL 158 N 0.19 1.34 -0.58 2.04 3.04 -0.94 -0.95 116.25 120.39 1lga h VAL 158 Ca 0.14 -1.85 -0.09 0.00 -1.01 0.00 0.00 66.70 63.89 1lga h VAL 158 Cb 0.15 1.85 -0.02 0.00 -2.01 0.00 0.00 31.29 31.26 1lga h VAL 158 CO -0.18 0.57 0.02 -1.13 -1.01 0.00 0.00 177.57 175.84 1lga h ASN 159 N 0.34 0.99 0.41 3.17 -0.73 -1.01 -1.84 115.58 116.91 1lga h ASN 159 Ca 0.00 -0.30 -0.02 0.00 1.87 0.00 0.00 56.30 57.86 1lga h ASN 159 Cb 1.10 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 39.43 1lga h ASN 159 CO 0.10 1.04 -0.20 -0.78 -0.37 0.00 0.00 177.43 177.23 1lga h ASP 160 N 0.91 -0.46 -0.59 1.15 3.58 -0.88 -0.09 116.42 120.04 1lga h ASP 160 Ca 0.17 -0.05 0.08 0.00 0.42 0.00 0.00 57.03 57.65 1lga h ASP 160 Cb 0.52 0.12 -0.07 0.00 1.72 0.00 0.00 39.33 41.63 1lga h ASP 160 CO 0.03 -0.24 0.24 0.00 -2.88 0.00 0.00 179.24 176.39 1lga h ALA 161 N -0.12 0.76 0.00 -0.78 0.00 -1.06 -3.37 119.26 114.69 1lga h ALA 161 Ca -0.06 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1lga h ALA 161 Cb 0.49 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1lga h ALA 161 CO 0.09 -0.16 -0.37 0.41 0.00 0.00 0.00 179.25 179.22 1lga n GLY 162 N -1.28 0.68 3.17 0.00 0.00 -0.71 -4.86 105.19 102.19 1lga n GLY 162 Ca 0.08 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1lga n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lga n GLU 163 N 0.02 -5.36 -2.86 1.61 1.02 -0.05 -4.97 120.64 110.05 1lga n GLU 163 Ca -0.00 0.86 -0.40 0.00 -0.02 0.00 0.00 57.16 57.60 1lga n GLU 163 Cb 0.66 -5.75 -0.06 0.00 -0.02 0.00 0.00 31.44 26.27 1lga n GLU 163 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1lga s PHE 164 N -3.19 3.91 0.28 -0.32 0.08 -1.11 -4.93 117.98 112.70 1lga s PHE 164 Ca 0.37 1.75 -0.01 0.00 0.12 0.00 0.00 56.93 59.16 1lga s PHE 164 Cb -0.17 -2.89 0.06 0.00 -0.57 0.00 0.00 43.02 39.45 1lga s PHE 164 CO 0.46 0.43 0.38 -0.40 -0.10 0.00 0.00 175.22 175.99 1lga n ASP 165 N 1.85 0.39 0.21 1.36 5.68 -1.26 -3.49 116.55 121.29 1lga n ASP 165 Ca -0.03 -1.36 0.10 0.00 -0.50 0.00 0.00 54.79 53.00 1lga n ASP 165 Cb 0.48 -0.26 0.32 0.00 -1.14 0.00 0.00 41.12 40.53 1lga n ASP 165 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1lga h GLU 166 N 0.00 0.00 -0.23 0.11 9.09 -1.95 -1.94 114.58 119.66 1lga h GLU 166 Ca -0.13 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.21 1lga h GLU 166 Cb 0.44 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.53 1lga h GLU 166 CO 0.12 0.20 -0.16 -0.07 0.05 0.00 0.00 179.01 179.15 1lga h LEU 167 N 0.00 0.54 -1.16 3.06 3.38 -1.94 -2.85 115.31 116.33 1lga h LEU 167 Ca -0.00 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1lga h LEU 167 Cb 0.92 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1lga h LEU 167 CO 0.03 0.87 -0.27 -0.33 0.09 0.00 0.00 178.44 178.82 1lga h GLU 168 N 0.22 0.00 -0.24 1.13 5.08 -1.89 -0.80 114.58 118.09 1lga h GLU 168 Ca 0.05 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1lga h GLU 168 Cb 0.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1lga h GLU 168 CO 0.04 0.27 0.06 1.25 -1.00 0.00 0.00 179.01 179.64 1lga h LEU 169 N 0.00 0.05 -0.25 1.33 6.46 -1.25 -1.13 115.31 120.52 1lga h LEU 169 Ca -0.00 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1lga h LEU 169 Cb 0.74 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.68 1lga h LEU 169 CO 0.04 0.06 0.10 0.58 -0.62 0.00 0.00 178.44 178.59 1lga h VAL 170 N 0.16 0.95 -0.58 1.05 2.07 -0.93 -2.65 116.25 116.32 1lga h VAL 170 Ca 0.11 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1lga h VAL 170 Cb 0.09 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1lga h VAL 170 CO -0.13 0.04 0.37 -0.50 0.02 0.00 0.00 177.57 177.37 1lga h TRP 171 N 0.22 0.73 0.00 1.57 6.55 -1.16 -1.41 115.95 122.45 1lga h TRP 171 Ca 0.11 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.96 1lga h TRP 171 Cb 0.07 -0.25 0.00 0.00 -0.86 0.00 0.00 29.16 28.12 1lga h TRP 171 CO -0.12 0.48 0.00 0.00 -1.05 0.00 0.00 178.44 177.75 1lga h MET 172 N 0.78 0.00 0.00 0.49 -0.00 -1.07 -1.73 114.93 113.39 1lga h MET 172 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.91 1lga h MET 172 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.53 1lga h MET 172 CO -0.04 0.00 0.00 1.28 -0.00 0.00 0.00 176.91 178.15 1lga n LEU 173 N -2.94 0.00 0.23 -0.10 4.77 -0.54 -2.38 117.00 116.04 1lga n LEU 173 Ca 0.01 0.18 0.15 0.00 -0.03 0.00 0.00 56.01 56.32 1lga n LEU 173 Cb 0.33 -0.18 0.82 0.00 -2.33 0.00 0.00 43.42 42.06 1lga n LEU 173 CO 0.27 -0.05 1.13 0.28 -1.33 0.00 0.00 177.39 177.69 1lga h SER 174 N 0.00 0.00 -0.01 -1.43 0.02 -1.23 0.88 113.55 111.77 1lga h SER 174 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lga h SER 174 Cb 0.12 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1lga h SER 174 CO 0.00 0.00 0.02 0.00 -1.14 0.00 0.00 176.83 175.71 1lga h ALA 175 N 1.87 1.34 0.00 3.77 0.00 -1.69 -1.93 119.26 122.63 1lga h ALA 175 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1lga h ALA 175 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1lga h ALA 175 CO -0.00 -0.03 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1lga n HIS 176 N -3.53 0.00 0.48 0.00 -0.00 0.30 -2.15 115.22 110.33 1lga n HIS 176 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.81 1lga n HIS 176 Cb 0.10 -0.17 0.46 0.00 -0.00 0.00 0.00 29.99 30.39 1lga n HIS 176 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1lga n SER 177 N -1.17 0.60 -3.31 0.41 2.88 -0.72 -3.92 113.62 108.39 1lga n SER 177 Ca 0.11 0.62 -0.25 0.00 -1.33 0.00 0.00 58.87 58.02 1lga n SER 177 Cb 0.11 -0.76 -0.08 0.00 -0.75 0.00 0.00 64.21 62.73 1lga n SER 177 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1lga n VAL 178 N -2.13 -0.12 -3.54 2.46 0.24 -0.91 -4.12 118.33 110.20 1lga n VAL 178 Ca 0.03 -4.16 -0.13 0.00 -2.04 0.00 0.00 64.34 58.04 1lga n VAL 178 Cb 0.27 -1.94 -0.05 0.00 -1.47 0.00 0.00 33.84 30.65 1lga n VAL 178 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lga s ALA 179 N -1.19 -1.85 0.09 2.33 0.00 -1.25 -4.70 121.76 115.19 1lga s ALA 179 Ca 0.35 1.39 -0.02 0.00 0.00 0.00 0.00 51.96 53.68 1lga s ALA 179 Cb 0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1lga s ALA 179 CO -0.11 -0.38 0.03 0.00 0.00 0.00 0.00 175.76 175.30 1lga s ALA 180 N -1.40 0.59 -0.11 0.00 0.00 -1.26 -1.98 121.76 117.59 1lga s ALA 180 Ca -0.05 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1lga s ALA 180 Cb -0.00 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 1lga s ALA 180 CO 0.04 -0.44 -0.16 0.14 0.00 0.00 0.00 175.76 175.34 1lga s VAL 181 N -3.97 2.85 -0.08 0.00 -7.23 0.13 -4.84 120.40 107.26 1lga s VAL 181 Ca 0.15 -0.75 0.20 0.00 -1.81 0.00 0.00 61.98 59.77 1lga s VAL 181 Cb 0.07 -2.16 -0.30 0.00 0.56 0.00 0.00 36.38 34.55 1lga s VAL 181 CO -0.05 0.54 0.46 0.59 -0.31 0.00 0.00 175.10 176.34 1lga n ASN 182 N 3.31 0.46 0.00 4.85 3.02 -1.26 -0.73 115.26 124.90 1lga n ASN 182 Ca -0.18 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1lga n ASN 182 Cb 0.53 1.86 0.00 0.00 -0.61 0.00 0.00 39.78 41.55 1lga n ASN 182 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1lga n ASP 183 N -2.15 0.75 0.00 6.41 8.00 -1.26 -4.43 116.55 123.87 1lga n ASP 183 Ca -0.03 -1.19 -0.22 0.00 0.71 0.00 0.00 54.79 54.06 1lga n ASP 183 Cb 0.51 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.47 1lga n ASP 183 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1lga h VAL 184 N 0.76 0.81 -3.69 2.53 2.07 -1.90 -3.43 116.25 113.40 1lga h VAL 184 Ca 0.00 -2.36 -0.66 0.00 0.82 0.00 0.00 66.70 64.51 1lga h VAL 184 Cb 0.40 2.55 -0.17 0.00 -1.52 0.00 0.00 31.29 32.55 1lga h VAL 184 CO 0.00 0.77 -0.30 -0.62 0.02 0.00 0.00 177.57 177.44 1lga s ASP 185 N -7.06 6.18 0.01 0.57 -1.08 -1.26 -4.71 116.67 109.32 1lga s ASP 185 Ca -0.22 -0.13 0.16 0.00 -0.52 0.00 0.00 52.55 51.84 1lga s ASP 185 Cb 0.06 -2.19 0.70 0.00 -1.46 0.00 0.00 42.92 40.02 1lga s ASP 185 CO 0.76 -0.29 1.52 -0.81 0.52 0.00 0.00 175.17 176.87 1lga n PRO 186 N 5.35 0.01 -0.01 4.34 -0.04 -1.26 -3.18 135.00 140.22 1lga n PRO 186 Ca -0.09 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 1lga n PRO 186 Cb 0.50 -1.52 -0.15 0.00 -0.04 0.00 0.00 33.50 32.29 1lga n PRO 186 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1lga n THR 187 N -1.54 0.00 -3.70 0.52 -2.24 -1.26 -4.94 114.28 101.13 1lga n THR 187 Ca 0.04 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1lga n THR 187 Cb 0.19 0.40 -0.11 0.00 -2.10 0.00 0.00 70.33 68.71 1lga n THR 187 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1lga s VAL 188 N -3.31 -0.11 -0.08 2.28 0.11 -1.19 -5.04 120.40 113.06 1lga s VAL 188 Ca -0.02 0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 59.01 1lga s VAL 188 Cb 0.15 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 1lga s VAL 188 CO 0.89 0.05 0.34 -1.10 -3.33 0.00 0.00 175.10 171.96 1lga s GLN 189 N 1.55 4.01 0.00 1.54 -0.21 -1.26 -4.55 119.66 120.73 1lga s GLN 189 Ca -0.08 0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.54 1lga s GLN 189 Cb -0.09 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.61 1lga s GLN 189 CO -0.12 0.49 0.00 0.41 -2.12 0.00 0.00 175.29 173.95 1lga n GLY 190 N 2.52 1.21 3.69 3.09 0.00 0.09 -4.60 105.19 111.18 1lga n GLY 190 Ca -0.13 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1lga n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lga s LEU 191 N -0.11 4.25 0.56 0.99 1.43 -0.50 -0.95 118.68 124.35 1lga s LEU 191 Ca 0.00 1.44 -0.18 0.00 -1.03 0.00 0.00 54.13 54.36 1lga s LEU 191 Cb 0.00 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1lga s LEU 191 CO 0.00 -0.40 1.11 -2.84 0.23 0.00 0.00 176.35 174.45 1lga s PRO 192 N 1.87 3.32 0.30 1.29 0.02 -1.25 -0.69 135.00 139.85 1lga s PRO 192 Ca 0.46 1.51 0.14 0.00 0.02 0.00 0.00 61.00 63.13 1lga s PRO 192 Cb -0.18 -2.01 0.38 0.00 0.02 0.00 0.00 34.50 32.71 1lga s PRO 192 CO 0.18 -0.86 1.60 0.74 -0.33 0.00 0.00 177.00 178.33 1lga h PHE 193 N 0.99 0.00 -4.41 6.54 0.04 -1.62 -2.07 116.94 116.41 1lga h PHE 193 Ca -0.49 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 59.93 1lga h PHE 193 Cb 1.25 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.30 1lga h PHE 193 CO 0.53 0.54 -0.30 0.16 -0.60 0.00 0.00 178.31 178.64 1lga s ASP 194 N -6.59 1.21 0.00 2.17 1.47 -1.26 -4.79 116.67 108.88 1lga s ASP 194 Ca 0.00 -1.59 0.29 0.00 1.18 0.00 0.00 52.55 52.43 1lga s ASP 194 Cb 0.11 0.63 1.19 0.00 -0.34 0.00 0.00 42.92 44.51 1lga s ASP 194 CO 0.73 -1.22 1.86 -1.54 0.68 0.00 0.00 175.17 175.68 1lga n SER 195 N -1.48 0.29 -2.94 2.11 3.41 -1.26 -3.90 113.62 109.85 1lga n SER 195 Ca 0.03 -0.23 -0.25 0.00 -0.26 0.00 0.00 58.87 58.16 1lga n SER 195 Cb 0.62 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 1lga n SER 195 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1lga n THR 196 N -1.20 2.54 0.21 6.66 -2.24 -1.26 -4.95 114.28 114.04 1lga n THR 196 Ca 0.12 -5.36 0.14 0.00 -2.27 0.00 0.00 64.05 56.68 1lga n THR 196 Cb 0.29 -1.20 0.74 0.00 -2.10 0.00 0.00 70.33 68.06 1lga n THR 196 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1lga h PRO 197 N 2.95 0.00 -0.55 -0.78 0.13 -1.72 -1.28 132.00 130.75 1lga h PRO 197 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1lga h PRO 197 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1lga h PRO 197 CO 0.77 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.95 1lga n GLY 198 N -1.25 2.06 2.98 1.56 0.00 -1.26 -4.02 105.19 105.27 1lga n GLY 198 Ca -0.02 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 1lga n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lga s ILE 199 N -1.28 1.21 -0.60 -0.61 1.01 -0.48 -3.79 121.20 116.65 1lga s ILE 199 Ca 0.44 -0.45 -0.28 0.00 0.00 0.00 0.00 60.65 60.35 1lga s ILE 199 Cb 0.24 -1.15 0.02 0.00 0.01 0.00 0.00 42.46 41.58 1lga s ILE 199 CO 0.33 0.39 1.29 0.12 0.00 0.00 0.00 174.94 177.07 1lga s PHE 200 N 1.22 2.42 0.14 3.97 5.36 -0.04 -4.59 117.98 126.46 1lga s PHE 200 Ca -0.03 0.35 -0.03 0.00 -0.96 0.00 0.00 56.93 56.26 1lga s PHE 200 Cb -0.14 -4.49 0.01 0.00 -0.34 0.00 0.00 43.02 38.06 1lga s PHE 200 CO -0.04 -1.82 0.24 -0.40 -1.46 0.00 0.00 175.22 171.74 1lga n ASP 201 N 9.07 -0.67 -1.81 6.13 5.75 -1.26 -4.34 116.55 129.42 1lga n ASP 201 Ca 0.09 -1.65 0.08 0.00 -0.01 0.00 0.00 54.79 53.30 1lga n ASP 201 Cb 0.49 1.17 0.39 0.00 -1.03 0.00 0.00 41.12 42.15 1lga n ASP 201 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1lga n SER 202 N -1.58 5.49 0.20 -1.12 7.64 -1.26 -4.33 113.62 118.66 1lga n SER 202 Ca -0.01 -2.82 0.07 0.00 1.01 0.00 0.00 58.87 57.11 1lga n SER 202 Cb 0.22 -0.66 0.58 0.00 -1.01 0.00 0.00 64.21 63.34 1lga n SER 202 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1lga h GLN 203 N 3.99 0.11 -0.89 1.43 1.08 -1.94 -1.60 115.11 117.29 1lga h GLN 203 Ca 0.00 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1lga h GLN 203 Cb 1.85 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 29.19 1lga h GLN 203 CO 0.43 0.10 0.55 0.35 -0.95 0.00 0.00 178.83 179.31 1lga h PHE 204 N 0.11 1.03 -0.09 2.96 3.57 -1.89 -0.48 116.94 122.14 1lga h PHE 204 Ca 0.03 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.37 1lga h PHE 204 Cb 0.03 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.44 1lga h PHE 204 CO 0.00 0.52 -0.72 0.74 -2.23 0.00 0.00 178.31 176.62 1lga h PHE 205 N 1.01 0.61 -0.04 0.41 0.04 -1.63 -2.33 116.94 115.00 1lga h PHE 205 Ca 0.39 -0.26 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 1lga h PHE 205 Cb 0.18 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 1lga h PHE 205 CO -0.03 1.02 0.01 0.28 -0.60 0.00 0.00 178.31 179.00 1lga h VAL 206 N 0.31 1.21 0.00 -0.55 2.07 -1.05 -3.29 116.25 114.94 1lga h VAL 206 Ca -0.03 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 1lga h VAL 206 Cb 1.30 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1lga h VAL 206 CO 0.13 0.17 -0.58 -0.33 0.02 0.00 0.00 177.57 176.97 1lga h GLU 207 N -0.17 0.00 0.00 1.57 5.08 -1.10 -2.49 114.58 117.47 1lga h GLU 207 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1lga h GLU 207 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1lga h GLU 207 CO 0.00 0.40 0.00 0.25 -1.00 0.00 0.00 179.01 178.66 1lga n THR 208 N -3.15 0.52 0.98 1.13 -2.24 -0.88 -2.88 114.28 107.77 1lga n THR 208 Ca 0.01 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.92 1lga n THR 208 Cb 0.72 -0.74 0.48 0.00 -2.10 0.00 0.00 70.33 68.68 1lga n THR 208 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1lga n GLN 209 N -1.87 0.01 -2.64 -0.78 -0.06 -0.94 -4.85 117.38 106.26 1lga n GLN 209 Ca 0.05 0.01 -0.37 0.00 -2.00 0.00 0.00 57.00 54.69 1lga n GLN 209 Cb 0.32 -1.51 -0.05 0.00 -4.06 0.00 0.00 30.24 24.93 1lga n GLN 209 CO 0.00 0.00 0.00 -0.06 -0.20 0.00 0.00 177.06 176.80 1lga s PHE 210 N -3.01 3.43 0.16 3.69 0.08 -1.14 -1.73 117.98 119.47 1lga s PHE 210 Ca 0.13 1.69 -0.33 0.00 0.12 0.00 0.00 56.93 58.54 1lga s PHE 210 Cb 0.18 -3.05 -0.16 0.00 -0.57 0.00 0.00 43.02 39.43 1lga s PHE 210 CO 0.59 -0.30 1.25 -2.13 -0.10 0.00 0.00 175.22 174.53 1lga n ARG 211 N 0.18 1.30 -2.77 0.44 0.63 0.24 -4.60 116.66 112.08 1lga n ARG 211 Ca 0.04 0.46 -0.42 0.00 -0.92 0.00 0.00 57.85 57.01 1lga n ARG 211 Cb 0.50 -2.02 -0.03 0.00 0.45 0.00 0.00 32.46 31.35 1lga n ARG 211 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1lga s GLY 212 N 0.17 2.29 0.00 5.14 0.00 -1.26 -3.93 107.32 109.73 1lga s GLY 212 Ca 0.75 0.25 0.00 0.00 0.00 0.00 0.00 44.72 45.72 1lga s GLY 212 CO 0.50 1.80 0.00 -1.30 0.00 0.00 0.00 173.10 174.10 1lga n THR 213 N 4.57 0.00 -3.81 0.90 -2.24 0.44 -4.87 114.28 109.26 1lga n THR 213 Ca 0.07 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1lga n THR 213 Cb 0.49 0.50 -0.07 0.00 -2.10 0.00 0.00 70.33 69.15 1lga n THR 213 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1lga s LEU 214 N -2.33 1.16 -0.13 3.22 0.05 -1.05 -5.00 118.68 114.60 1lga s LEU 214 Ca 0.00 -0.59 -0.05 0.00 0.05 0.00 0.00 54.13 53.54 1lga s LEU 214 Cb 0.00 1.23 -0.04 0.00 -2.05 0.00 0.00 46.19 45.33 1lga s LEU 214 CO 0.00 -0.77 0.04 -0.36 -0.55 0.00 0.00 176.35 174.71 1lga s PHE 215 N -3.86 3.25 0.35 3.48 0.08 -1.26 -1.30 117.98 118.73 1lga s PHE 215 Ca 0.05 0.17 0.17 0.00 0.12 0.00 0.00 56.93 57.44 1lga s PHE 215 Cb 0.04 -1.92 0.91 0.00 -0.57 0.00 0.00 43.02 41.48 1lga s PHE 215 CO -0.10 0.37 1.88 -1.00 -0.10 0.00 0.00 175.22 176.27 1lga h PRO 216 N 5.75 0.00 0.00 0.24 0.13 -1.89 -3.45 132.00 132.78 1lga h PRO 216 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1lga h PRO 216 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1lga h PRO 216 CO 0.61 0.30 0.00 0.41 -0.23 0.00 0.00 178.00 179.08 1lga n GLY 217 N -0.45 2.55 3.91 1.56 0.00 -1.26 -4.61 105.19 106.89 1lga n GLY 217 Ca -0.02 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 1lga n GLY 217 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lga s SER 218 N 1.00 5.18 0.51 1.61 1.04 -1.26 -5.10 113.70 116.67 1lga s SER 218 Ca 0.00 0.73 0.07 0.00 0.48 0.00 0.00 55.95 57.23 1lga s SER 218 Cb 0.00 -1.51 0.03 0.00 0.10 0.00 0.00 66.02 64.64 1lga s SER 218 CO 0.00 -1.40 0.44 -0.83 0.98 0.00 0.00 173.24 172.44 1lga s GLY 219 N -4.42 2.22 -0.86 7.32 0.00 -1.26 -4.81 107.32 105.51 1lga s GLY 219 Ca 0.58 -1.58 -0.05 0.00 0.00 0.00 0.00 44.72 43.67 1lga s GLY 219 CO 0.47 -1.84 0.62 0.61 0.00 0.00 0.00 173.10 172.96 1lga n GLY 220 N -1.76 0.02 3.58 0.20 0.00 -1.26 -5.00 105.19 100.97 1lga n GLY 220 Ca 0.02 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1lga n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lga s ASN 221 N -3.09 4.86 0.33 1.61 0.01 -1.26 -5.05 114.94 112.34 1lga s ASN 221 Ca 0.31 -0.01 -0.29 0.00 -0.71 0.00 0.00 52.86 52.15 1lga s ASN 221 Cb -0.14 -1.46 -0.11 0.00 0.41 0.00 0.00 41.25 39.96 1lga s ASN 221 CO 0.38 0.30 1.41 -1.58 -1.51 0.00 0.00 177.10 176.10 1lga s GLN 222 N -0.42 4.25 0.00 -0.60 0.74 -1.26 -1.95 119.66 120.42 1lga s GLN 222 Ca 0.07 2.37 0.00 0.00 0.05 0.00 0.00 55.36 57.85 1lga s GLN 222 Cb -0.12 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 30.94 1lga s GLN 222 CO 0.02 -0.37 0.00 0.41 -0.55 0.00 0.00 175.29 174.80 1lga n GLY 223 N 1.08 1.80 3.60 2.59 0.00 -1.26 -4.96 105.19 108.04 1lga n GLY 223 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1lga n GLY 223 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lga s GLU 224 N -0.26 2.66 0.39 1.61 2.12 -0.82 -0.11 118.70 124.29 1lga s GLU 224 Ca 0.00 -0.64 0.03 0.00 0.36 0.00 0.00 54.97 54.73 1lga s GLU 224 Cb 0.00 -2.56 -0.03 0.00 0.26 0.00 0.00 34.13 31.80 1lga s GLU 224 CO 0.00 0.63 0.10 0.54 -0.54 0.00 0.00 175.26 175.99 1lga s VAL 225 N -0.92 0.82 0.27 3.70 0.11 -0.35 -4.72 120.40 119.31 1lga s VAL 225 Ca 0.15 -2.00 -0.29 0.00 -2.93 0.00 0.00 61.98 56.91 1lga s VAL 225 Cb -0.11 -2.46 -0.09 0.00 -1.53 0.00 0.00 36.38 32.18 1lga s VAL 225 CO 0.05 0.00 1.10 -1.61 -3.33 0.00 0.00 175.10 171.31 1lga s GLU 226 N -3.78 4.64 0.57 1.54 2.02 -1.26 -4.11 118.70 118.32 1lga s GLU 226 Ca 0.26 1.80 0.09 0.00 0.02 0.00 0.00 54.97 57.14 1lga s GLU 226 Cb 0.04 -3.20 0.08 0.00 0.10 0.00 0.00 34.13 31.16 1lga s GLU 226 CO 0.14 0.21 0.74 -1.54 0.02 0.00 0.00 175.26 174.82 1lga s SER 227 N -0.82 5.02 -0.05 -0.19 1.04 -0.42 -4.46 113.70 113.82 1lga s SER 227 Ca 0.45 -0.92 0.17 0.00 0.48 0.00 0.00 55.95 56.13 1lga s SER 227 Cb -0.32 0.34 0.54 0.00 0.10 0.00 0.00 66.02 66.68 1lga s SER 227 CO 0.40 -1.32 1.46 0.61 0.98 0.00 0.00 173.24 175.38 1lga n GLY 228 N -2.18 2.82 2.91 7.32 0.00 -1.25 -0.42 105.19 114.38 1lga n GLY 228 Ca 0.13 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1lga n GLY 228 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1lga s MET 229 N -1.41 0.06 0.37 1.61 -1.94 -1.26 -4.88 119.30 111.85 1lga s MET 229 Ca 0.40 0.19 -0.28 0.00 -1.71 0.00 0.00 55.69 54.29 1lga s MET 229 Cb 0.24 -0.07 -0.11 0.00 2.01 0.00 0.00 34.83 36.90 1lga s MET 229 CO 0.23 -0.08 1.46 0.00 -0.01 0.00 0.00 175.02 176.61 1lga s ALA 230 N 0.55 3.57 0.00 3.03 0.00 -1.26 -1.80 121.76 125.84 1lga s ALA 230 Ca -0.04 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1lga s ALA 230 Cb -0.06 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1lga s ALA 230 CO -0.02 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.17 1lga n GLY 231 N 0.58 2.80 3.74 0.00 0.00 -1.26 -0.91 105.19 110.14 1lga n GLY 231 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1lga n GLY 231 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lga s GLU 232 N -0.11 4.20 0.21 1.61 2.12 -0.75 -3.95 118.70 122.04 1lga s GLU 232 Ca 0.00 0.05 -0.05 0.00 0.36 0.00 0.00 54.97 55.33 1lga s GLU 232 Cb 0.00 -3.41 -0.06 0.00 0.26 0.00 0.00 34.13 30.92 1lga s GLU 232 CO 0.00 0.28 0.47 -1.50 -0.54 0.00 0.00 175.26 173.97 1lga s ILE 233 N 0.34 5.07 -0.09 -3.70 2.07 -0.78 -4.43 121.20 119.68 1lga s ILE 233 Ca 0.16 0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.50 1lga s ILE 233 Cb -0.13 -3.67 0.02 0.00 0.13 0.00 0.00 42.46 38.81 1lga s ILE 233 CO 0.03 -0.12 -0.11 -0.60 -1.91 0.00 0.00 174.94 172.23 1lga s ARG 234 N -3.03 1.74 0.16 3.50 3.52 -1.26 -4.54 118.95 119.04 1lga s ARG 234 Ca 0.43 -0.39 -0.03 0.00 -0.13 0.00 0.00 55.73 55.61 1lga s ARG 234 Cb -0.11 -1.55 -0.05 0.00 -1.56 0.00 0.00 34.95 31.67 1lga s ARG 234 CO 0.26 -0.08 0.37 0.96 -0.81 0.00 0.00 175.30 176.00 1lga s ILE 235 N 1.05 5.19 0.39 4.11 -4.36 -1.26 -1.21 121.20 125.11 1lga s ILE 235 Ca -0.07 -0.13 0.06 0.00 -0.26 0.00 0.00 60.65 60.25 1lga s ILE 235 Cb -0.15 -3.66 0.27 0.00 1.25 0.00 0.00 42.46 40.17 1lga s ILE 235 CO -0.01 -0.04 2.03 -0.61 0.24 0.00 0.00 174.94 176.55 1lga h GLN 236 N 2.52 0.63 -0.69 0.37 4.15 -0.56 -2.21 115.11 119.34 1lga h GLN 236 Ca -0.47 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 58.87 1lga h GLN 236 Cb 1.17 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.69 1lga h GLN 236 CO 0.71 0.42 0.23 1.79 -1.93 0.00 0.00 178.83 180.05 1lga h THR 237 N 0.65 1.25 -0.33 2.39 1.35 -1.75 -0.69 112.91 115.79 1lga h THR 237 Ca 0.20 -0.85 -0.14 0.00 -0.55 0.00 0.00 66.41 65.07 1lga h THR 237 Cb 0.01 0.51 -0.00 0.00 -1.73 0.00 0.00 68.15 66.93 1lga h THR 237 CO -0.05 0.33 -0.35 0.44 -0.25 0.00 0.00 175.52 175.64 1lga h ASP 238 N 1.00 0.88 0.30 5.36 3.32 -1.78 0.13 116.42 125.63 1lga h ASP 238 Ca 0.22 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1lga h ASP 238 Cb 0.27 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1lga h ASP 238 CO -0.01 1.18 -0.34 -0.74 -1.72 0.00 0.00 179.24 177.61 1lga h HIS 239 N 0.60 -0.92 -0.27 4.55 2.76 -1.30 -1.03 115.15 119.54 1lga h HIS 239 Ca 0.05 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.16 1lga h HIS 239 Cb 0.94 0.36 -0.02 0.00 1.55 0.00 0.00 27.41 30.25 1lga h HIS 239 CO 0.07 -0.47 -0.14 1.15 -1.30 0.00 0.00 177.93 177.23 1lga h THR 240 N -0.68 1.23 0.00 6.26 2.02 -1.02 -2.91 112.91 117.81 1lga h THR 240 Ca -0.01 -1.02 -0.13 0.00 0.77 0.00 0.00 66.41 66.02 1lga h THR 240 Cb 0.63 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1lga h THR 240 CO -0.09 0.33 -0.61 -0.07 0.37 0.00 0.00 175.52 175.45 1lga h LEU 241 N 0.42 0.00 -1.92 2.58 3.38 -0.30 -0.72 115.31 118.74 1lga h LEU 241 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1lga h LEU 241 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1lga h LEU 241 CO 0.03 0.61 -0.12 0.00 0.09 0.00 0.00 178.44 179.05 1lga h ALA 242 N 1.39 1.36 -0.01 1.53 0.00 -1.00 -3.18 119.26 119.35 1lga h ALA 242 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1lga h ALA 242 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1lga h ALA 242 CO 0.08 0.15 -0.07 0.54 0.00 0.00 0.00 179.25 179.94 1lga n ARG 243 N -3.75 1.48 -2.62 0.00 1.74 -0.99 -4.41 116.66 108.11 1lga n ARG 243 Ca -0.02 -0.59 -0.39 0.00 -0.77 0.00 0.00 57.85 56.08 1lga n ARG 243 Cb 0.22 -1.00 -0.05 0.00 -1.02 0.00 0.00 32.46 30.61 1lga n ARG 243 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1lga s ASP 244 N -0.79 7.28 0.55 0.55 -1.08 -0.31 -4.81 116.67 118.05 1lga s ASP 244 Ca 0.05 2.05 0.28 0.00 -0.52 0.00 0.00 52.55 54.41 1lga s ASP 244 Cb 0.05 -2.60 1.60 0.00 -1.46 0.00 0.00 42.92 40.50 1lga s ASP 244 CO 0.12 -0.12 2.15 0.77 0.52 0.00 0.00 175.17 178.61 1lga h SER 245 N 3.50 0.00 0.55 -0.34 4.64 -1.91 0.34 113.55 120.33 1lga h SER 245 Ca -0.47 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.72 1lga h SER 245 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1lga h SER 245 CO 0.66 0.07 -0.63 0.03 -0.87 0.00 0.00 176.83 176.08 1lga h ARG 246 N 0.00 0.07 0.00 4.77 3.08 -1.93 -3.38 114.38 117.00 1lga h ARG 246 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1lga h ARG 246 Cb 0.18 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1lga h ARG 246 CO 0.01 0.68 -0.49 0.25 -1.07 0.00 0.00 179.97 179.35 1lga n THR 247 N -3.81 0.00 -0.23 2.04 -2.24 -0.44 -4.81 114.28 104.79 1lga n THR 247 Ca -0.02 -0.30 -0.05 0.00 -2.27 0.00 0.00 64.05 61.42 1lga n THR 247 Cb 0.63 0.79 0.06 0.00 -2.10 0.00 0.00 70.33 69.71 1lga n THR 247 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lga h ALA 248 N 0.30 0.84 0.00 6.98 0.00 -0.44 0.17 119.26 127.11 1lga h ALA 248 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1lga h ALA 248 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1lga h ALA 248 CO 0.00 0.20 -0.83 0.00 0.00 0.00 0.00 179.25 178.62 1lga h GLU 250 N 0.01 0.56 -0.52 0.00 4.57 -1.72 -1.48 114.58 116.00 1lga h GLU 250 Ca -0.01 -0.35 0.02 0.00 -1.18 0.00 0.00 59.36 57.84 1lga h GLU 250 Cb 1.46 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.06 1lga h GLU 250 CO 0.11 0.95 0.33 2.35 -1.18 0.00 0.00 179.01 181.57 1lga h TRP 251 N 0.43 0.62 0.00 0.92 2.91 -0.67 -2.22 115.95 117.94 1lga h TRP 251 Ca 0.01 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.97 1lga h TRP 251 Cb 1.07 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.51 1lga h TRP 251 CO 0.04 0.37 -0.38 0.37 -1.03 0.00 0.00 178.44 177.82 1lga h GLN 252 N 0.66 0.00 0.00 2.65 4.15 -1.13 -3.26 115.11 118.19 1lga h GLN 252 Ca 0.20 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 1lga h GLN 252 Cb -0.03 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 1lga h GLN 252 CO -0.07 0.38 -0.00 0.66 -1.93 0.00 0.00 178.83 177.86 1lga h SER 253 N 0.00 0.00 1.84 -0.69 4.64 -0.62 -0.25 113.55 118.48 1lga h SER 253 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lga h SER 253 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1lga h SER 253 CO 0.05 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 175.75 1lga h PHE 254 N 0.00 0.00 -2.71 4.77 0.04 -1.68 -3.40 116.94 113.96 1lga h PHE 254 Ca -0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.22 1lga h PHE 254 Cb 0.08 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 1lga h PHE 254 CO 0.00 0.00 1.04 0.08 -0.60 0.00 0.00 178.31 178.83 1lga s VAL 255 N -3.28 3.79 -0.10 -0.55 1.01 -0.11 -1.77 120.40 119.39 1lga s VAL 255 Ca 0.06 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1lga s VAL 255 Cb 0.06 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1lga s VAL 255 CO 0.65 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1lga n GLY 256 N 4.04 0.48 2.50 4.51 0.00 -1.26 -4.96 105.19 110.49 1lga n GLY 256 Ca 0.16 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1lga n GLY 256 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lga s ASN 257 N -2.27 2.46 0.21 1.61 3.84 -0.73 -4.95 114.94 115.11 1lga s ASN 257 Ca 0.00 -2.82 -0.07 0.00 0.21 0.00 0.00 52.86 50.18 1lga s ASN 257 Cb 0.00 -0.60 0.16 0.00 -0.55 0.00 0.00 41.25 40.26 1lga s ASN 257 CO 0.00 -0.22 1.73 -0.61 -2.79 0.00 0.00 177.10 175.21 1lga h GLN 258 N 6.16 1.09 -0.21 0.43 4.15 -1.93 -2.08 115.11 122.72 1lga h GLN 258 Ca 0.16 -0.26 -0.09 0.00 0.77 0.00 0.00 58.65 59.23 1lga h GLN 258 Cb 0.92 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 1lga h GLN 258 CO 0.38 0.97 -0.28 0.66 -1.93 0.00 0.00 178.83 178.63 1lga h SER 259 N 1.03 0.41 -0.25 -0.69 4.64 -1.96 -1.44 113.55 115.29 1lga h SER 259 Ca 0.21 -0.14 -0.15 0.00 -0.47 0.00 0.00 61.79 61.24 1lga h SER 259 Cb 0.38 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1lga h SER 259 CO 0.00 0.68 -0.44 0.50 -0.87 0.00 0.00 176.83 176.70 1lga h LYS 260 N 0.36 0.74 -0.10 4.77 3.64 -1.92 0.36 116.57 124.42 1lga h LYS 260 Ca 0.05 -0.46 0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1lga h LYS 260 Cb 0.67 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 1lga h LYS 260 CO 0.05 1.09 -0.19 1.25 -2.27 0.00 0.00 179.45 179.38 1lga h LEU 261 N 0.47 -0.57 -0.14 5.20 5.85 -0.96 -1.39 115.31 123.79 1lga h LEU 261 Ca 0.01 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1lga h LEU 261 Cb 1.04 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1lga h LEU 261 CO 0.10 -0.24 -0.02 0.58 -0.34 0.00 0.00 178.44 178.53 1lga h VAL 262 N -0.25 1.27 -0.49 1.05 2.07 -1.21 -1.77 116.25 116.92 1lga h VAL 262 Ca 0.09 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 1lga h VAL 262 Cb 0.38 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1lga h VAL 262 CO -0.24 0.26 -0.01 0.44 0.02 0.00 0.00 177.57 178.04 1lga h ASP 263 N -0.04 0.86 -0.57 0.57 3.32 -0.89 -0.29 116.42 119.39 1lga h ASP 263 Ca 0.04 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.69 1lga h ASP 263 Cb 0.41 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1lga h ASP 263 CO 0.01 0.97 0.05 0.44 -1.72 0.00 0.00 179.24 178.99 1lga h ASP 264 N 0.74 0.96 0.44 6.45 3.32 -1.26 -2.70 116.42 124.37 1lga h ASP 264 Ca 0.14 -0.24 -0.20 0.00 0.02 0.00 0.00 57.03 56.74 1lga h ASP 264 Cb 0.53 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1lga h ASP 264 CO 0.03 0.99 -0.87 0.15 -1.72 0.00 0.00 179.24 177.81 1lga h PHE 265 N 0.93 0.45 -0.33 4.55 3.57 -1.15 -1.42 116.94 123.54 1lga h PHE 265 Ca 0.18 -0.24 0.04 0.00 3.53 0.00 0.00 57.97 61.48 1lga h PHE 265 Cb 0.47 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1lga h PHE 265 CO 0.03 1.04 0.11 0.37 -2.23 0.00 0.00 178.31 177.63 1lga h GLN 266 N 0.18 0.25 0.33 1.11 4.15 -0.88 -0.69 115.11 119.56 1lga h GLN 266 Ca -0.05 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 1lga h GLN 266 Cb 1.49 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.13 1lga h GLN 266 CO 0.14 0.16 -0.16 0.35 -1.93 0.00 0.00 178.83 177.40 1lga h PHE 267 N 0.25 -0.42 0.00 3.99 3.57 -1.43 -2.93 116.94 119.98 1lga h PHE 267 Ca 0.15 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1lga h PHE 267 Cb 0.12 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1lga h PHE 267 CO -0.14 -0.21 -0.24 0.97 -2.23 0.00 0.00 178.31 176.46 1lga h ILE 268 N -0.52 0.73 0.10 1.41 6.09 -0.85 -1.24 117.51 123.22 1lga h ILE 268 Ca -0.05 -1.02 -0.00 0.00 -1.37 0.00 0.00 64.86 62.42 1lga h ILE 268 Cb 0.39 1.64 0.00 0.00 0.47 0.00 0.00 36.82 39.32 1lga h ILE 268 CO 0.08 0.24 -0.05 0.15 -3.07 0.00 0.00 178.15 175.49 1lga h PHE 269 N 0.00 -0.12 -0.88 2.19 3.57 -1.14 -1.55 116.94 119.00 1lga h PHE 269 Ca -0.00 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1lga h PHE 269 Cb 0.62 0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.30 1lga h PHE 269 CO 0.00 0.40 0.47 1.25 -2.23 0.00 0.00 178.31 178.20 1lga h LEU 270 N -0.83 0.58 -0.30 0.59 5.85 -1.37 -2.15 115.31 117.67 1lga h LEU 270 Ca -0.01 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1lga h LEU 270 Cb 0.58 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1lga h LEU 270 CO 0.02 0.24 0.13 0.00 -0.34 0.00 0.00 178.44 178.49 1lga h ALA 271 N 1.57 0.35 -0.84 1.25 0.00 -1.02 -1.80 119.26 118.78 1lga h ALA 271 Ca 0.48 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.52 1lga h ALA 271 Cb 0.68 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 1lga h ALA 271 CO -0.36 -0.27 0.47 -0.07 0.00 0.00 0.00 179.25 179.02 1lga h LEU 272 N 0.28 0.66 -2.39 0.00 3.38 -0.76 -1.76 115.31 114.72 1lga h LEU 272 Ca 0.13 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1lga h LEU 272 Cb 0.07 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1lga h LEU 272 CO -0.11 0.36 -0.01 0.74 0.09 0.00 0.00 178.44 179.51 1lga h THR 273 N 0.77 0.57 -0.63 0.22 2.02 -0.72 -2.65 112.91 112.50 1lga h THR 273 Ca 0.41 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.54 1lga h THR 273 Cb 0.42 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1lga h THR 273 CO -0.27 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.63 1lga n GLN 274 N -3.89 2.86 -2.07 6.66 6.02 -0.67 -4.75 117.38 121.54 1lga n GLN 274 Ca -0.03 -2.54 -0.42 0.00 -0.01 0.00 0.00 57.00 54.00 1lga n GLN 274 Cb 0.10 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 1lga n GLN 274 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1lga s LEU 275 N -1.10 4.38 0.00 1.08 1.43 -1.00 -1.35 118.68 122.12 1lga s LEU 275 Ca 0.43 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 56.06 1lga s LEU 275 Cb 0.23 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1lga s LEU 275 CO 0.28 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 176.78 1lga n GLY 276 N 2.93 0.75 3.58 -3.19 0.00 -1.26 -1.08 105.19 106.91 1lga n GLY 276 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1lga n GLY 276 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lga s GLN 277 N -0.11 1.88 -0.33 1.61 -1.52 -0.46 -4.91 119.66 115.83 1lga s GLN 277 Ca 0.00 -2.03 -0.09 0.00 -1.95 0.00 0.00 55.36 51.30 1lga s GLN 277 Cb 0.00 -1.59 0.01 0.00 -0.22 0.00 0.00 33.01 31.21 1lga s GLN 277 CO 0.00 0.01 0.14 0.34 -0.25 0.00 0.00 175.29 175.53 1lga s ASP 278 N -3.65 5.44 0.45 5.90 2.15 -1.26 -4.97 116.67 120.72 1lga s ASP 278 Ca 0.34 -0.80 0.14 0.00 0.43 0.00 0.00 52.55 52.67 1lga s ASP 278 Cb 0.07 -1.95 1.07 0.00 -0.30 0.00 0.00 42.92 41.81 1lga s ASP 278 CO 0.17 -0.26 2.02 -0.65 -0.17 0.00 0.00 175.17 176.28 1lga h PRO 279 N 8.32 0.32 0.00 4.34 0.11 -1.96 0.17 132.00 143.30 1lga h PRO 279 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1lga h PRO 279 Cb 1.12 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1lga h PRO 279 CO 0.62 0.21 0.00 0.09 -0.21 0.00 0.00 178.00 178.72 1lga n ASN 280 N -4.47 0.50 -1.40 -2.05 3.02 -1.26 -2.30 115.26 107.31 1lga n ASN 280 Ca 0.07 0.59 0.11 0.00 -0.03 0.00 0.00 54.58 55.32 1lga n ASN 280 Cb 0.30 -0.71 0.33 0.00 -0.61 0.00 0.00 39.78 39.09 1lga n ASN 280 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lga n ALA 281 N -1.69 2.49 -2.53 5.41 0.00 0.58 -4.97 120.51 119.79 1lga n ALA 281 Ca 0.04 -1.35 -0.27 0.00 0.00 0.00 0.00 53.44 51.85 1lga n ALA 281 Cb 0.29 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 1lga n ALA 281 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1lga s MET 282 N -1.14 1.93 -0.20 0.00 -1.94 -0.97 -4.88 119.30 112.10 1lga s MET 282 Ca 0.50 -1.28 -0.09 0.00 -1.71 0.00 0.00 55.69 53.11 1lga s MET 282 Cb 0.27 -2.11 -0.05 0.00 2.01 0.00 0.00 34.83 34.95 1lga s MET 282 CO 0.32 0.44 0.11 0.99 -0.01 0.00 0.00 175.02 176.88 1lga s THR 283 N -1.57 5.21 -0.34 2.05 2.01 -0.84 -4.88 115.64 117.28 1lga s THR 283 Ca 0.23 0.12 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 1lga s THR 283 Cb -0.09 -3.37 0.01 0.00 0.01 0.00 0.00 72.50 69.05 1lga s THR 283 CO 0.13 0.44 1.26 -0.62 -0.69 0.00 0.00 174.62 175.14 1lga s ASP 284 N 0.45 6.66 -0.23 3.53 -1.08 -1.26 -0.29 116.67 124.44 1lga s ASP 284 Ca 0.06 1.02 0.11 0.00 -0.52 0.00 0.00 52.55 53.23 1lga s ASP 284 Cb -0.12 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.25 1lga s ASP 284 CO -0.01 -1.13 1.32 0.00 0.52 0.00 0.00 175.17 175.88 1lga h SER 286 N 0.94 0.34 0.06 0.00 0.02 -1.67 -1.73 113.55 111.51 1lga h SER 286 Ca 0.09 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1lga h SER 286 Cb 1.29 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1lga h SER 286 CO 0.17 0.12 0.00 0.47 -1.14 0.00 0.00 176.83 176.45 1lga n ASP 287 N -4.48 0.31 0.13 3.07 8.00 -1.26 -0.89 116.55 121.44 1lga n ASP 287 Ca 0.20 0.64 0.12 0.00 0.71 0.00 0.00 54.79 56.45 1lga n ASP 287 Cb 0.77 -0.68 0.06 0.00 -0.02 0.00 0.00 41.12 41.25 1lga n ASP 287 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1lga h VAL 288 N 0.00 0.00 -3.40 2.53 2.07 -1.67 -3.47 116.25 112.31 1lga h VAL 288 Ca 0.00 -0.95 -0.53 0.00 0.82 0.00 0.00 66.70 66.04 1lga h VAL 288 Cb 0.03 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1lga h VAL 288 CO 0.00 0.00 0.48 -0.63 0.02 0.00 0.00 177.57 177.44 1lga s ILE 289 N -3.30 4.14 0.76 4.57 -1.09 -0.07 -4.99 121.20 121.21 1lga s ILE 289 Ca 0.02 1.66 -0.15 0.00 -2.23 0.00 0.00 60.65 59.95 1lga s ILE 289 Cb 0.09 -4.06 0.05 0.00 -1.58 0.00 0.00 42.46 36.96 1lga s ILE 289 CO 0.75 0.20 1.22 -2.84 -1.23 0.00 0.00 174.94 173.04 1lga s PRO 290 N 0.43 1.94 0.03 2.79 0.02 -1.26 -4.93 135.00 134.01 1lga s PRO 290 Ca 0.53 1.81 -0.30 0.00 0.02 0.00 0.00 61.00 63.05 1lga s PRO 290 Cb -0.28 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.36 1lga s PRO 290 CO 0.31 -2.00 1.72 -0.51 -0.33 0.00 0.00 177.00 176.19 1lga s LEU 291 N -5.33 4.37 0.49 -5.54 1.02 -1.26 -4.79 118.68 107.64 1lga s LEU 291 Ca 0.75 2.46 -0.22 0.00 0.02 0.00 0.00 54.13 57.14 1lga s LEU 291 Cb -0.30 -3.55 -0.06 0.00 0.02 0.00 0.00 46.19 42.29 1lga s LEU 291 CO 0.47 -0.93 1.23 -0.44 0.02 0.00 0.00 176.35 176.70 1lga s SER 292 N 3.05 5.86 0.08 2.29 0.01 -1.26 -4.95 113.70 118.79 1lga s SER 292 Ca 0.77 2.45 -0.02 0.00 1.31 0.00 0.00 55.95 60.46 1lga s SER 292 Cb -0.39 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.18 1lga s SER 292 CO 0.33 -1.14 0.27 -0.54 0.41 0.00 0.00 173.24 172.57 1lga s LYS 293 N -2.78 3.51 0.79 12.44 1.02 -1.26 -5.00 119.74 128.45 1lga s LYS 293 Ca 0.66 -0.30 -0.11 0.00 0.02 0.00 0.00 55.97 56.25 1lga s LYS 293 Cb -0.32 -2.98 0.06 0.00 -0.52 0.00 0.00 37.83 34.07 1lga s LYS 293 CO 0.39 0.56 1.09 -1.25 -0.92 0.00 0.00 175.35 175.22 1lga s PRO 294 N -2.51 2.15 0.12 -1.68 0.04 -1.26 -0.69 135.00 131.18 1lga s PRO 294 Ca 0.36 1.08 -0.31 0.00 0.04 0.00 0.00 61.00 62.18 1lga s PRO 294 Cb -0.13 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 1lga s PRO 294 CO 0.26 -1.69 1.51 0.42 0.04 0.00 0.00 177.00 177.54 1lga s ILE 295 N -2.93 3.00 0.49 0.56 1.01 -1.26 -4.18 121.20 117.89 1lga s ILE 295 Ca 0.61 0.66 -0.21 0.00 0.00 0.00 0.00 60.65 61.71 1lga s ILE 295 Cb -0.17 -3.42 -0.07 0.00 0.01 0.00 0.00 42.46 38.80 1lga s ILE 295 CO 0.56 0.04 1.11 -2.16 0.00 0.00 0.00 174.94 174.49 1lga s PRO 296 N 1.47 3.65 0.00 2.79 0.04 -1.26 -4.90 135.00 136.80 1lga s PRO 296 Ca 0.68 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1lga s PRO 296 Cb -0.40 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1lga s PRO 296 CO 0.31 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1lga n GLY 297 N 0.19 1.84 3.92 0.56 0.00 -1.26 -4.97 105.19 105.47 1lga n GLY 297 Ca 0.09 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 43.89 1lga n GLY 297 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lga s ASN 298 N 0.00 6.08 0.00 1.61 0.02 -1.26 -5.04 114.94 116.35 1lga s ASN 298 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 52.86 51.84 1lga s ASN 298 Cb 0.00 -1.73 0.00 0.00 0.02 0.00 0.00 41.25 39.54 1lga s ASN 298 CO 0.00 -0.02 0.00 0.61 0.02 0.00 0.00 177.10 177.71 1lga n GLY 299 N -1.08 2.98 3.78 0.66 0.00 -1.26 -5.08 105.19 105.20 1lga n GLY 299 Ca -0.08 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 1lga n GLY 299 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lga s PRO 300 N -2.83 3.89 0.13 1.61 0.04 -1.26 -4.96 135.00 131.63 1lga s PRO 300 Ca 0.00 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.43 1lga s PRO 300 Cb 0.00 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 1lga s PRO 300 CO 0.00 -0.40 1.74 0.35 0.04 0.00 0.00 177.00 178.74 1lga h PHE 301 N 2.05 0.12 -3.52 0.56 3.57 -1.98 -3.43 116.94 114.32 1lga h PHE 301 Ca -0.49 0.01 -0.67 0.00 3.53 0.00 0.00 57.97 60.35 1lga h PHE 301 Cb 1.23 -0.02 -0.19 0.00 2.79 0.00 0.00 35.95 39.76 1lga h PHE 301 CO 0.56 0.05 -0.82 -1.12 -2.23 0.00 0.00 178.31 174.75 1lga s SER 302 N -5.30 3.58 0.07 0.41 0.01 -1.26 -4.71 113.70 106.50 1lga s SER 302 Ca -0.13 -0.73 -0.26 0.00 1.31 0.00 0.00 55.95 56.14 1lga s SER 302 Cb 0.10 -0.36 0.08 0.00 0.21 0.00 0.00 66.02 66.06 1lga s SER 302 CO 0.69 0.15 0.73 0.72 0.41 0.00 0.00 173.24 175.95 1lga s PHE 303 N -1.36 -0.46 -0.15 2.43 -0.71 -1.26 -4.66 117.98 111.80 1lga s PHE 303 Ca 0.18 0.34 -0.23 0.00 -1.04 0.00 0.00 56.93 56.19 1lga s PHE 303 Cb -0.09 0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 1lga s PHE 303 CO 0.09 -0.70 0.70 -0.06 -1.34 0.00 0.00 175.22 173.91 1lga s PHE 304 N -3.25 3.45 0.67 3.49 0.08 0.37 -4.97 117.98 117.82 1lga s PHE 304 Ca 0.02 1.10 -0.17 0.00 0.12 0.00 0.00 56.93 58.00 1lga s PHE 304 Cb -0.01 -2.85 -0.01 0.00 -0.57 0.00 0.00 43.02 39.59 1lga s PHE 304 CO -0.10 -0.10 1.14 -2.30 -0.10 0.00 0.00 175.22 173.76 1lga n PRO 305 N 4.67 0.85 -1.54 0.24 -0.02 -1.26 -1.18 135.00 136.76 1lga n PRO 305 Ca -0.00 0.35 -0.56 0.00 -2.02 0.00 0.00 63.50 61.27 1lga n PRO 305 Cb 0.50 -2.37 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 1lga n PRO 305 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1lga n PRO 306 N -1.80 0.52 0.00 0.52 -0.02 -1.24 -1.61 135.00 131.37 1lga n PRO 306 Ca 0.15 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1lga n PRO 306 Cb 0.48 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1lga n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lga n GLY 307 N 1.97 2.32 3.41 -1.23 0.00 -1.26 -3.03 105.19 107.36 1lga n GLY 307 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1lga n GLY 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lga s LYS 308 N -0.90 1.47 0.35 1.61 -0.14 -0.63 -4.96 119.74 116.53 1lga s LYS 308 Ca 0.00 -1.49 0.03 0.00 -1.36 0.00 0.00 55.97 53.15 1lga s LYS 308 Cb 0.00 -1.78 -0.01 0.00 -1.68 0.00 0.00 37.83 34.36 1lga s LYS 308 CO 0.00 0.39 0.38 -1.54 -0.76 0.00 0.00 175.35 173.82 1lga s SER 309 N -2.61 1.41 0.54 2.83 1.04 -1.26 -4.67 113.70 110.98 1lga s SER 309 Ca 0.19 -1.66 0.21 0.00 0.48 0.00 0.00 55.95 55.17 1lga s SER 309 Cb -0.08 0.62 1.39 0.00 0.10 0.00 0.00 66.02 68.05 1lga s SER 309 CO 0.09 -1.20 2.11 -0.74 0.98 0.00 0.00 173.24 174.48 1lga h HIS 310 N 2.10 0.00 0.00 5.02 2.76 -1.96 -1.59 115.15 121.48 1lga h HIS 310 Ca -0.26 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.91 1lga h HIS 310 Cb 1.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.19 1lga h HIS 310 CO 1.70 0.00 0.00 0.43 -1.30 0.00 0.00 177.93 178.76 1lga n SER 311 N -4.36 0.35 -0.14 3.26 7.64 -1.26 -2.17 113.62 116.94 1lga n SER 311 Ca 0.01 0.60 0.13 0.00 1.01 0.00 0.00 58.87 60.63 1lga n SER 311 Cb 0.26 -0.67 0.40 0.00 -1.01 0.00 0.00 64.21 63.19 1lga n SER 311 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1lga n ASP 312 N -1.91 0.72 -4.73 6.43 8.00 -0.60 -4.89 116.55 119.56 1lga n ASP 312 Ca 0.02 -0.57 -0.41 0.00 0.71 0.00 0.00 54.79 54.53 1lga n ASP 312 Cb 0.16 0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 1lga n ASP 312 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lga s ILE 313 N -2.67 3.56 -0.42 0.53 -1.09 -0.92 -0.59 121.20 119.60 1lga s ILE 313 Ca 0.21 1.28 -0.12 0.00 -2.23 0.00 0.00 60.65 59.78 1lga s ILE 313 Cb 0.19 -3.82 0.06 0.00 -1.58 0.00 0.00 42.46 37.31 1lga s ILE 313 CO 0.56 0.18 0.29 -1.61 -1.23 0.00 0.00 174.94 173.14 1lga s GLU 314 N -0.00 2.83 0.07 2.79 2.02 -0.70 -4.84 118.70 120.85 1lga s GLU 314 Ca 0.55 -1.27 -0.31 0.00 0.02 0.00 0.00 54.97 53.96 1lga s GLU 314 Cb -0.33 -3.91 -0.08 0.00 0.10 0.00 0.00 34.13 29.91 1lga s GLU 314 CO 0.36 -0.88 1.61 -1.14 0.02 0.00 0.00 175.26 175.23 1lga s GLN 315 N 1.56 4.21 0.00 1.61 2.00 -1.26 -4.86 119.66 122.92 1lga s GLN 315 Ca 0.03 2.28 0.00 0.00 -2.00 0.00 0.00 55.36 55.68 1lga s GLN 315 Cb -0.22 -3.57 0.00 0.00 0.80 0.00 0.00 33.01 30.02 1lga s GLN 315 CO 0.06 -0.70 0.00 0.00 -0.50 0.00 0.00 175.29 174.14 1lga n ALA 316 N 5.47 1.84 -2.12 1.58 0.00 -1.26 -4.98 120.51 121.03 1lga n ALA 316 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 1lga n ALA 316 Cb 0.41 0.26 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 1lga n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lga h ALA 318 N 10.49 1.22 0.00 0.00 0.00 -1.95 -3.34 119.26 125.69 1lga h ALA 318 Ca -0.34 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1lga h ALA 318 Cb 1.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1lga h ALA 318 CO 1.00 0.57 -0.78 0.93 0.00 0.00 0.00 179.25 180.96 1lga h GLU 319 N 0.95 0.00 -3.87 0.00 3.07 -2.01 -3.46 114.58 109.26 1lga h GLU 319 Ca 0.22 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.76 1lga h GLU 319 Cb 0.18 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 27.77 1lga h GLU 319 CO -0.02 0.13 -0.75 0.99 -1.40 0.00 0.00 179.01 177.96 1lga s THR 320 N -3.18 0.23 0.51 1.13 2.01 -1.25 -5.13 115.64 109.96 1lga s THR 320 Ca 0.01 -0.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.78 1lga s THR 320 Cb 0.08 -0.27 -0.06 0.00 0.01 0.00 0.00 72.50 72.25 1lga s THR 320 CO 0.76 0.12 1.34 -2.65 -0.69 0.00 0.00 174.62 173.50 1lga n PRO 321 N 3.73 1.79 -1.68 4.92 -0.02 -1.26 -4.72 135.00 137.77 1lga n PRO 321 Ca -0.22 0.65 -0.45 0.00 -2.02 0.00 0.00 63.50 61.46 1lga n PRO 321 Cb 0.53 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 1lga n PRO 321 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1lga n PHE 322 N -0.79 2.39 -1.40 6.00 -0.00 -1.26 -4.90 117.46 117.50 1lga n PHE 322 Ca 0.09 0.14 -0.38 0.00 -0.00 0.00 0.00 57.45 57.30 1lga n PHE 322 Cb 0.43 -2.61 0.04 0.00 -0.00 0.00 0.00 39.48 37.35 1lga n PHE 322 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1lga n PRO 323 N 4.35 0.40 -2.71 -7.13 -0.02 -1.26 -4.92 135.00 123.71 1lga n PRO 323 Ca 0.18 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 1lga n PRO 323 Cb 0.31 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1lga n PRO 323 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1lga s SER 324 N -1.19 7.18 0.15 2.55 0.01 -1.26 -5.01 113.70 116.12 1lga s SER 324 Ca 0.66 1.46 0.09 0.00 1.31 0.00 0.00 55.95 59.47 1lga s SER 324 Cb -0.43 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.22 1lga s SER 324 CO 0.57 -0.47 -0.17 -0.76 0.41 0.00 0.00 173.24 172.82 1lga s LEU 325 N 2.19 2.72 0.34 2.44 1.02 -1.26 -5.11 118.68 121.02 1lga s LEU 325 Ca 0.46 -0.62 -0.26 0.00 0.02 0.00 0.00 54.13 53.74 1lga s LEU 325 Cb -0.18 -1.50 -0.10 0.00 0.02 0.00 0.00 46.19 44.43 1lga s LEU 325 CO 0.15 0.15 0.98 0.68 0.02 0.00 0.00 176.35 178.33 1lga s VAL 326 N -1.37 4.07 -0.03 -1.59 -7.23 -1.26 -4.70 120.40 108.29 1lga s VAL 326 Ca 0.20 1.70 -0.19 0.00 -1.81 0.00 0.00 61.98 61.88 1lga s VAL 326 Cb -0.10 -3.93 -0.05 0.00 0.56 0.00 0.00 36.38 32.86 1lga s VAL 326 CO 0.11 0.12 0.55 -0.89 -0.31 0.00 0.00 175.10 174.68 1lga s THR 327 N -1.60 4.98 0.55 5.32 2.01 -1.26 -0.47 115.64 125.16 1lga s THR 327 Ca 0.52 1.13 -0.18 0.00 0.31 0.00 0.00 61.69 63.47 1lga s THR 327 Cb -0.20 -3.88 -0.06 0.00 0.01 0.00 0.00 72.50 68.37 1lga s THR 327 CO 0.25 0.42 1.08 -0.76 -0.69 0.00 0.00 174.62 174.92 1lga s LEU 328 N -0.11 3.69 0.56 4.42 1.43 -0.33 -4.93 118.68 123.41 1lga s LEU 328 Ca 0.29 1.99 -0.12 0.00 -1.03 0.00 0.00 54.13 55.26 1lga s LEU 328 Cb -0.17 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.43 1lga s LEU 328 CO 0.15 -1.09 0.98 -2.16 0.23 0.00 0.00 176.35 174.46 1lga s PRO 329 N -3.53 3.71 0.00 1.29 0.04 -1.26 -3.68 135.00 131.57 1lga s PRO 329 Ca 0.68 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1lga s PRO 329 Cb -0.19 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1lga s PRO 329 CO 0.28 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1lga n GLY 330 N -2.26 2.02 3.65 0.56 0.00 -1.26 -4.76 105.19 103.13 1lga n GLY 330 Ca 0.05 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.61 1lga n GLY 330 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lga s PRO 331 N -1.75 0.58 0.29 1.61 0.04 -1.26 -4.23 135.00 130.28 1lga s PRO 331 Ca 0.00 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 1lga s PRO 331 Cb 0.00 -1.72 -0.12 0.00 0.04 0.00 0.00 34.50 32.70 1lga s PRO 331 CO 0.00 -2.74 1.53 0.00 0.04 0.00 0.00 177.00 175.83 1lga n ALA 332 N -4.24 2.15 -1.76 8.56 0.00 -1.26 -4.47 120.51 119.49 1lga n ALA 332 Ca 0.07 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 1lga n ALA 332 Cb 0.55 -2.41 0.06 0.00 0.00 0.00 0.00 19.45 17.65 1lga n ALA 332 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1lga s THR 333 N -0.18 3.47 -0.07 0.00 -4.23 -1.17 -4.97 115.64 108.50 1lga s THR 333 Ca 0.63 0.48 0.02 0.00 -1.18 0.00 0.00 61.69 61.64 1lga s THR 333 Cb -0.53 -3.38 0.02 0.00 1.34 0.00 0.00 72.50 69.95 1lga s THR 333 CO 0.51 -0.62 -0.11 -0.55 -0.54 0.00 0.00 174.62 173.31 1lga s SER 334 N -4.17 1.71 -0.01 3.99 0.15 -1.26 -4.07 113.70 110.04 1lga s SER 334 Ca 0.59 -0.28 -0.25 0.00 0.70 0.00 0.00 55.95 56.71 1lga s SER 334 Cb -0.12 -0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 63.37 1lga s SER 334 CO 0.53 0.00 0.76 -0.69 1.20 0.00 0.00 173.24 175.05 1lga s VAL 335 N 0.82 4.88 0.35 4.45 1.01 -0.09 -4.94 120.40 126.88 1lga s VAL 335 Ca -0.12 1.60 -0.27 0.00 0.00 0.00 0.00 61.98 63.20 1lga s VAL 335 Cb -0.15 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 1lga s VAL 335 CO 0.02 0.30 1.14 0.00 0.00 0.00 0.00 175.10 176.56 1lga s ALA 336 N 0.41 3.28 0.62 5.51 0.00 -1.26 -4.50 121.76 125.81 1lga s ALA 336 Ca 0.40 0.94 -0.13 0.00 0.00 0.00 0.00 51.96 53.17 1lga s ALA 336 Cb -0.19 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1lga s ALA 336 CO 0.22 -0.37 1.04 1.03 0.00 0.00 0.00 175.76 177.68 1lga s ARG 337 N -1.95 3.39 -0.29 0.00 0.52 -1.26 -4.64 118.95 114.71 1lga s ARG 337 Ca 0.52 0.97 -0.01 0.00 -0.52 0.00 0.00 55.73 56.69 1lga s ARG 337 Cb -0.31 -2.05 0.05 0.00 0.52 0.00 0.00 34.95 33.16 1lga s ARG 337 CO 0.40 -0.74 -0.03 0.42 0.02 0.00 0.00 175.30 175.37 1lga s ILE 338 N -2.85 2.79 0.03 1.52 1.01 -0.13 -5.04 121.20 118.53 1lga s ILE 338 Ca 0.59 -1.44 -0.32 0.00 0.00 0.00 0.00 60.65 59.48 1lga s ILE 338 Cb -0.13 -2.61 -0.11 0.00 0.01 0.00 0.00 42.46 39.62 1lga s ILE 338 CO 0.46 -0.08 1.86 -0.81 0.00 0.00 0.00 174.94 176.37 1lga n PRO 339 N 4.58 2.51 -1.05 2.79 -0.04 -1.26 -3.92 135.00 138.61 1lga n PRO 339 Ca -0.13 0.92 -0.34 0.00 -0.04 0.00 0.00 63.50 63.90 1lga n PRO 339 Cb 0.43 -2.80 0.10 0.00 -0.04 0.00 0.00 33.50 31.20 1lga n PRO 339 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1lga n PRO 340 N 6.24 0.05 0.00 0.54 -0.04 -1.26 -4.66 135.00 135.87 1lga n PRO 340 Ca 0.20 0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.78 1lga n PRO 340 Cb 0.34 -2.01 0.29 0.00 -0.04 0.00 0.00 33.50 32.08 1lga n PRO 340 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04