#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cm3 h GLU 8 N 0.00 -0.22 -0.43 -4.13 4.81 -2.05 -2.36 114.58 110.21 2cm3 h GLU 8 Ca 0.00 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2cm3 h GLU 8 Cb 0.00 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.34 2cm3 h GLU 8 CO 0.00 -0.14 -0.16 1.96 -0.73 0.00 0.00 179.01 179.94 2cm3 h GLN 9 N -0.22 -0.06 -0.75 1.92 1.08 -2.03 -1.46 115.11 113.58 2cm3 h GLN 9 Ca -0.00 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 2cm3 h GLN 9 Cb 0.23 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.62 2cm3 h GLN 9 CO -0.10 -0.04 0.44 0.82 -0.95 0.00 0.00 178.83 179.01 2cm3 h ILE 10 N -0.07 1.00 -0.24 2.54 2.04 -1.93 0.45 117.51 121.31 2cm3 h ILE 10 Ca 0.21 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 2cm3 h ILE 10 Cb 0.39 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2cm3 h ILE 10 CO -0.48 0.15 -0.01 0.44 0.00 0.00 0.00 178.15 178.25 2cm3 h ASP 11 N 0.81 0.43 0.00 1.72 5.19 -1.04 0.21 116.42 123.74 2cm3 h ASP 11 Ca 0.33 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2cm3 h ASP 11 Cb 0.17 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2cm3 h ASP 11 CO -0.18 0.64 0.00 0.29 -3.12 0.00 0.00 179.24 176.88 2cm3 n LYS 12 N -4.63 0.00 0.00 3.56 5.02 -0.59 -2.01 118.16 119.51 2cm3 n LYS 12 Ca -0.04 0.47 0.01 0.00 -2.02 0.00 0.00 58.31 56.73 2cm3 n LYS 12 Cb 0.25 -1.41 0.05 0.00 -0.02 0.00 0.00 35.03 33.90 2cm3 n LYS 12 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2cm3 n SER 13 N -1.84 0.00 -4.13 4.39 3.41 0.15 -4.83 113.62 110.77 2cm3 n SER 13 Ca 0.00 -0.49 -0.42 0.00 -0.26 0.00 0.00 58.87 57.69 2cm3 n SER 13 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2cm3 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cm3 n GLY 14 N -0.27 -0.63 1.68 5.00 0.00 0.45 -4.85 105.19 106.56 2cm3 n GLY 14 Ca 0.01 0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.38 2cm3 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cm3 n SER 15 N -2.20 5.02 0.06 1.61 7.64 0.32 -4.56 113.62 121.51 2cm3 n SER 15 Ca -0.16 -2.72 -0.13 0.00 1.01 0.00 0.00 58.87 56.87 2cm3 n SER 15 Cb 0.57 -0.64 -0.08 0.00 -1.01 0.00 0.00 64.21 63.05 2cm3 n SER 15 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 2cm3 h TRP 16 N 3.61 -0.11 -0.68 1.43 4.06 -1.89 -0.15 115.95 122.22 2cm3 h TRP 16 Ca 0.00 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 2cm3 h TRP 16 Cb 1.70 0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 29.87 2cm3 h TRP 16 CO 0.91 0.12 0.37 0.00 -3.56 0.00 0.00 178.44 176.28 2cm3 h ALA 17 N 0.54 0.87 0.58 1.49 0.00 -1.91 0.31 119.26 121.13 2cm3 h ALA 17 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2cm3 h ALA 17 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2cm3 h ALA 17 CO 0.02 0.39 -0.43 0.00 0.00 0.00 0.00 179.25 179.23 2cm3 h ALA 18 N 1.18 -1.18 -0.24 0.00 0.00 -1.83 0.94 119.26 118.13 2cm3 h ALA 18 Ca 0.24 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2cm3 h ALA 18 Cb 0.05 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 2cm3 h ALA 18 CO -0.04 -1.16 -0.27 0.82 0.00 0.00 0.00 179.25 178.60 2cm3 h ILE 19 N -0.97 0.34 -0.73 0.00 1.08 -0.76 -0.40 117.51 116.07 2cm3 h ILE 19 Ca -0.08 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.46 2cm3 h ILE 19 Cb 0.80 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.83 2cm3 h ILE 19 CO 0.03 0.00 0.42 0.22 -0.69 0.00 0.00 178.15 178.13 2cm3 h TYR 20 N -0.28 0.76 -0.76 1.37 3.20 -0.31 -1.72 116.97 119.23 2cm3 h TYR 20 Ca 0.13 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2cm3 h TYR 20 Cb 0.49 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 2cm3 h TYR 20 CO -0.42 0.36 0.39 0.37 -1.64 0.00 0.00 178.16 177.22 2cm3 h GLN 21 N 0.75 1.07 0.00 1.82 5.75 0.11 -1.23 115.11 123.38 2cm3 h GLN 21 Ca 0.33 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.65 2cm3 h GLN 21 Cb 0.21 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 2cm3 h GLN 21 CO -0.19 0.80 -0.20 0.22 -2.65 0.00 0.00 178.83 176.81 2cm3 h ASP 22 N 1.07 0.00 0.18 -0.69 3.58 -0.23 -1.55 116.42 118.79 2cm3 h ASP 22 Ca 0.27 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 2cm3 h ASP 22 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2cm3 h ASP 22 CO -0.04 0.20 -0.09 0.40 -2.88 0.00 0.00 179.24 176.84 2cm3 h ILE 23 N 0.00 0.93 -0.51 2.25 2.04 -0.65 -0.85 117.51 120.71 2cm3 h ILE 23 Ca -0.00 -0.82 0.10 0.00 1.00 0.00 0.00 64.86 65.14 2cm3 h ILE 23 Cb 0.43 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2cm3 h ILE 23 CO 0.03 0.18 0.35 0.03 0.00 0.00 0.00 178.15 178.74 2cm3 h ARG 24 N -0.66 0.26 0.05 2.37 3.08 -1.08 0.15 114.38 118.54 2cm3 h ARG 24 Ca -0.02 -0.02 -0.27 0.00 0.07 0.00 0.00 59.98 59.74 2cm3 h ARG 24 Cb 0.48 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.49 2cm3 h ARG 24 CO 0.04 0.17 -1.08 1.25 -1.07 0.00 0.00 179.97 179.28 2cm3 h HIS 25 N 0.27 1.00 0.00 3.04 2.76 -1.21 -3.31 115.15 117.70 2cm3 h HIS 25 Ca 0.24 -0.58 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 2cm3 h HIS 25 Cb 0.59 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.45 2cm3 h HIS 25 CO -0.00 1.41 -0.07 0.93 -1.30 0.00 0.00 177.93 178.90 2cm3 h GLU 26 N 0.30 0.00 -6.63 5.26 5.08 -0.18 -3.47 114.58 114.94 2cm3 h GLU 26 Ca -0.15 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.63 2cm3 h GLU 26 Cb 1.75 0.00 0.09 0.00 0.50 0.00 0.00 28.75 31.09 2cm3 h GLU 26 CO 0.21 0.00 0.53 0.00 -1.00 0.00 0.00 179.01 178.75 2cm3 n ALA 27 N -1.97 1.02 -0.90 3.43 0.00 0.44 -4.95 120.51 117.58 2cm3 n ALA 27 Ca 0.04 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 2cm3 n ALA 27 Cb 0.49 -2.24 0.15 0.00 0.00 0.00 0.00 19.45 17.84 2cm3 n ALA 27 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2cm3 s SER 28 N 0.01 3.30 -0.08 0.00 1.04 -1.26 -5.04 113.70 111.67 2cm3 s SER 28 Ca 0.63 1.97 0.01 0.00 0.48 0.00 0.00 55.95 59.03 2cm3 s SER 28 Cb -0.63 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.01 2cm3 s SER 28 CO 0.55 -2.83 -0.08 -0.62 0.98 0.00 0.00 173.24 171.24 2cm3 s ASP 29 N -2.95 1.81 0.06 7.02 2.15 -1.26 -4.93 116.67 118.57 2cm3 s ASP 29 Ca 0.65 -0.25 0.01 0.00 0.43 0.00 0.00 52.55 53.39 2cm3 s ASP 29 Cb -0.21 -0.74 -0.03 0.00 -0.30 0.00 0.00 42.92 41.64 2cm3 s ASP 29 CO 0.58 -0.07 -0.06 -0.36 -0.17 0.00 0.00 175.17 175.09 2cm3 s PHE 30 N 1.29 0.69 0.73 -5.34 0.08 -1.26 -5.14 117.98 109.03 2cm3 s PHE 30 Ca -0.04 -0.71 -0.14 0.00 0.12 0.00 0.00 56.93 56.17 2cm3 s PHE 30 Cb -0.14 -0.42 0.04 0.00 -0.57 0.00 0.00 43.02 41.94 2cm3 s PHE 30 CO -0.03 -0.15 1.15 -1.25 -0.10 0.00 0.00 175.22 174.84 2cm3 s PRO 31 N -2.59 2.25 -0.32 0.24 0.04 -1.26 -4.81 135.00 128.55 2cm3 s PRO 31 Ca -0.01 1.50 0.16 0.00 0.04 0.00 0.00 61.00 62.70 2cm3 s PRO 31 Cb -0.03 -1.87 0.47 0.00 0.04 0.00 0.00 34.50 33.11 2cm3 s PRO 31 CO -0.03 -1.70 1.05 0.00 0.04 0.00 0.00 177.00 176.36 2cm3 h ARG 33 N 2.73 -0.61 -0.26 0.00 3.08 -1.92 -2.35 114.38 115.05 2cm3 h ARG 33 Ca -0.00 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.15 2cm3 h ARG 33 Cb 1.21 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 31.34 2cm3 h ARG 33 CO 0.48 -0.41 -0.11 0.28 -1.07 0.00 0.00 179.97 179.14 2cm3 h VAL 34 N -0.64 0.64 -0.32 2.04 2.07 -1.93 -0.62 116.25 117.50 2cm3 h VAL 34 Ca 0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.63 2cm3 h VAL 34 Cb 0.71 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2cm3 h VAL 34 CO -0.40 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.53 2cm3 h ALA 35 N 1.17 2.00 -0.02 1.67 0.00 -1.81 -0.20 119.26 122.07 2cm3 h ALA 35 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2cm3 h ALA 35 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2cm3 h ALA 35 CO -0.31 -0.50 -0.03 1.63 0.00 0.00 0.00 179.25 180.03 2cm3 n LYS 36 N -3.78 1.77 -1.83 0.00 4.76 -0.26 -4.73 118.16 114.09 2cm3 n LYS 36 Ca 0.05 -1.19 -0.40 0.00 -2.87 0.00 0.00 58.31 53.89 2cm3 n LYS 36 Cb 0.50 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 2cm3 n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cm3 s LEU 37 N -2.05 4.25 0.33 -0.35 1.43 -0.09 -4.87 118.68 117.33 2cm3 s LEU 37 Ca 0.34 2.97 0.07 0.00 -1.03 0.00 0.00 54.13 56.47 2cm3 s LEU 37 Cb 0.21 -3.77 0.75 0.00 0.03 0.00 0.00 46.19 43.40 2cm3 s LEU 37 CO 0.35 -0.95 1.85 -0.65 0.23 0.00 0.00 176.35 177.18 2cm3 h PRO 38 N 2.78 0.75 0.00 1.29 0.11 -1.92 -0.96 132.00 134.06 2cm3 h PRO 38 Ca -0.51 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2cm3 h PRO 38 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2cm3 h PRO 38 CO 0.63 0.50 0.00 0.36 -0.21 0.00 0.00 178.00 179.28 2cm3 n LYS 39 N -4.59 0.12 -0.30 1.05 2.85 -1.26 -2.65 118.16 113.38 2cm3 n LYS 39 Ca 0.18 0.19 0.07 0.00 -1.05 0.00 0.00 58.31 57.70 2cm3 n LYS 39 Cb 0.45 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 33.53 2cm3 n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2cm3 n ASN 40 N -1.37 3.36 -0.21 -5.58 5.03 -0.36 -4.66 115.26 111.46 2cm3 n ASN 40 Ca 0.05 -2.52 -0.09 0.00 0.87 0.00 0.00 54.58 52.89 2cm3 n ASN 40 Cb 0.14 -0.38 0.02 0.00 -1.02 0.00 0.00 39.78 38.54 2cm3 n ASN 40 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2cm3 h LYS 41 N 1.81 1.07 -0.08 3.52 3.64 -1.57 -2.48 116.57 122.49 2cm3 h LYS 41 Ca 0.00 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2cm3 h LYS 41 Cb 1.08 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2cm3 h LYS 41 CO 0.11 1.06 0.00 0.27 -2.27 0.00 0.00 179.45 178.62 2cm3 n ASN 42 N -4.17 0.55 -0.63 4.20 0.23 -1.26 -2.72 115.26 111.47 2cm3 n ASN 42 Ca 0.03 -1.79 0.09 0.00 -0.53 0.00 0.00 54.58 52.38 2cm3 n ASN 42 Cb 0.37 -0.06 0.05 0.00 -2.08 0.00 0.00 39.78 38.06 2cm3 n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2cm3 n ARG 43 N -0.30 1.62 -4.83 -3.83 1.74 -0.94 -4.90 116.66 105.23 2cm3 n ARG 43 Ca 0.08 -1.34 -0.33 0.00 -0.77 0.00 0.00 57.85 55.49 2cm3 n ARG 43 Cb 0.11 -1.36 -0.14 0.00 -1.02 0.00 0.00 32.46 30.06 2cm3 n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2cm3 s ASN 44 N -1.79 4.04 0.01 0.55 0.01 -1.10 -4.43 114.94 112.23 2cm3 s ASN 44 Ca 0.19 -0.25 -0.06 0.00 -0.71 0.00 0.00 52.86 52.03 2cm3 s ASN 44 Cb 0.15 -1.24 -0.29 0.00 0.41 0.00 0.00 41.25 40.28 2cm3 s ASN 44 CO 0.33 0.26 0.90 -0.09 -1.51 0.00 0.00 177.10 176.99 2cm3 h ARG 45 N 6.01 0.32 -4.77 -0.60 2.43 -1.88 -3.46 114.38 112.44 2cm3 h ARG 45 Ca -0.36 -0.55 -0.50 0.00 -0.81 0.00 0.00 59.98 57.76 2cm3 h ARG 45 Cb 1.18 0.20 -0.32 0.00 -0.42 0.00 0.00 29.97 30.62 2cm3 h ARG 45 CO 0.53 1.21 -0.81 0.71 -1.51 0.00 0.00 179.97 180.10 2cm3 s TYR 46 N -2.62 1.38 0.36 2.20 2.02 -1.26 -5.02 117.35 114.42 2cm3 s TYR 46 Ca -0.09 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 56.24 2cm3 s TYR 46 Cb 0.06 -0.98 0.70 0.00 -0.40 0.00 0.00 41.96 41.34 2cm3 s TYR 46 CO 0.87 -0.19 1.90 0.00 -1.57 0.00 0.00 175.55 176.56 2cm3 h ARG 47 N 6.60 0.38 -0.02 -0.62 3.08 -1.96 -2.32 114.38 119.52 2cm3 h ARG 47 Ca -0.32 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.65 2cm3 h ARG 47 Cb 1.18 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2cm3 h ARG 47 CO 0.48 0.46 0.00 -0.40 -1.07 0.00 0.00 179.97 179.44 2cm3 n ASP 48 N -4.28 0.81 -3.92 7.04 5.75 -1.26 -4.68 116.55 116.01 2cm3 n ASP 48 Ca 0.00 -1.30 -0.30 0.00 -0.01 0.00 0.00 54.79 53.18 2cm3 n ASP 48 Cb 0.25 -0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 40.18 2cm3 n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2cm3 s VAL 49 N -1.99 1.62 0.04 2.12 1.01 -0.87 -5.02 120.40 117.30 2cm3 s VAL 49 Ca 0.41 -1.62 0.03 0.00 0.00 0.00 0.00 61.98 60.81 2cm3 s VAL 49 Cb 0.21 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2cm3 s VAL 49 CO 0.34 -0.39 -0.11 -0.44 0.00 0.00 0.00 175.10 174.50 2cm3 s SER 50 N 1.29 1.22 0.31 3.32 0.01 -1.26 -4.60 113.70 113.99 2cm3 s SER 50 Ca 0.03 -0.50 -0.27 0.00 1.31 0.00 0.00 55.95 56.52 2cm3 s SER 50 Cb -0.19 -0.03 -0.10 0.00 0.21 0.00 0.00 66.02 65.92 2cm3 s SER 50 CO -0.11 -0.09 0.97 -2.16 0.41 0.00 0.00 173.24 172.26 2cm3 s PRO 51 N -1.37 4.59 0.61 12.44 0.04 -1.26 -4.41 135.00 145.64 2cm3 s PRO 51 Ca -0.04 1.42 -0.18 0.00 0.04 0.00 0.00 61.00 62.24 2cm3 s PRO 51 Cb -0.09 -2.90 -0.02 0.00 0.04 0.00 0.00 34.50 31.53 2cm3 s PRO 51 CO 0.01 0.27 1.19 -0.06 0.04 0.00 0.00 177.00 178.45 2cm3 s PHE 52 N -1.49 2.40 0.26 0.56 0.08 -1.26 -4.56 117.98 113.96 2cm3 s PHE 52 Ca 0.49 1.53 -0.04 0.00 0.12 0.00 0.00 56.93 59.03 2cm3 s PHE 52 Cb -0.22 -3.43 0.32 0.00 -0.57 0.00 0.00 43.02 39.12 2cm3 s PHE 52 CO 0.27 -2.15 1.86 -0.44 -0.10 0.00 0.00 175.22 174.66 2cm3 h ASP 53 N 0.67 0.97 0.82 1.36 3.32 -0.58 -2.13 116.42 120.85 2cm3 h ASP 53 Ca -0.50 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.40 2cm3 h ASP 53 Cb 1.29 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 2cm3 h ASP 53 CO 0.54 0.82 -0.21 1.12 -1.72 0.00 0.00 179.24 179.80 2cm3 h HIS 54 N 1.07 0.00 -0.03 4.55 2.07 -1.91 -3.25 115.15 117.65 2cm3 h HIS 54 Ca 0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.78 2cm3 h HIS 54 Cb 0.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.09 2cm3 h HIS 54 CO 0.01 0.21 0.00 -1.13 -3.07 0.00 0.00 177.93 173.95 2cm3 n SER 55 N -3.44 1.60 -4.77 3.10 3.41 -1.18 -5.05 113.62 107.30 2cm3 n SER 55 Ca -0.00 -1.50 -0.36 0.00 -0.26 0.00 0.00 58.87 56.75 2cm3 n SER 55 Cb 0.40 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.34 2cm3 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cm3 s ARG 56 N -0.54 3.34 -0.18 4.33 1.70 -0.81 0.29 118.95 127.08 2cm3 s ARG 56 Ca 0.03 1.77 -0.26 0.00 -0.47 0.00 0.00 55.73 56.80 2cm3 s ARG 56 Cb 0.02 -2.11 -0.01 0.00 -0.57 0.00 0.00 34.95 32.27 2cm3 s ARG 56 CO 0.02 -0.90 0.85 0.42 -1.08 0.00 0.00 175.30 174.62 2cm3 s ILE 57 N -1.62 4.86 -0.12 4.99 -1.09 -0.36 -4.77 121.20 123.09 2cm3 s ILE 57 Ca 0.71 1.67 -0.17 0.00 -2.23 0.00 0.00 60.65 60.63 2cm3 s ILE 57 Cb -0.28 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 2cm3 s ILE 57 CO 0.32 -0.00 0.44 -0.54 -1.23 0.00 0.00 174.94 173.93 2cm3 s LYS 58 N 2.30 4.31 0.43 2.79 1.02 -1.26 -4.24 119.74 125.09 2cm3 s LYS 58 Ca 0.39 0.38 -0.24 0.00 0.02 0.00 0.00 55.97 56.52 2cm3 s LYS 58 Cb -0.16 -3.43 -0.08 0.00 -0.52 0.00 0.00 37.83 33.64 2cm3 s LYS 58 CO 0.12 0.19 1.11 -0.51 -0.92 0.00 0.00 175.35 175.34 2cm3 s LEU 59 N 0.54 4.08 -1.48 3.17 1.43 0.02 -4.90 118.68 121.55 2cm3 s LEU 59 Ca 0.24 2.19 -0.12 0.00 -1.03 0.00 0.00 54.13 55.41 2cm3 s LEU 59 Cb -0.15 -4.20 0.03 0.00 0.03 0.00 0.00 46.19 41.90 2cm3 s LEU 59 CO 0.09 -0.71 2.39 1.41 0.23 0.00 0.00 176.35 179.76 2cm3 n HIS 60 N -0.26 3.12 -3.95 0.29 8.25 -1.26 -4.55 115.22 116.85 2cm3 n HIS 60 Ca 0.06 -2.98 -0.09 0.00 -0.26 0.00 0.00 57.72 54.45 2cm3 n HIS 60 Cb 0.49 -2.43 -0.10 0.00 1.12 0.00 0.00 29.99 29.07 2cm3 n HIS 60 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2cm3 s GLN 61 N 2.35 0.46 -0.01 -0.41 -0.21 -1.26 -5.06 119.66 115.51 2cm3 s GLN 61 Ca 0.52 -0.65 -0.18 0.00 0.02 0.00 0.00 55.36 55.08 2cm3 s GLN 61 Cb 0.15 0.18 -0.34 0.00 1.00 0.00 0.00 33.01 34.00 2cm3 s GLN 61 CO -0.07 -0.10 0.92 1.49 -2.12 0.00 0.00 175.29 175.41 2cm3 h GLU 62 N 4.14 0.44 0.18 2.91 4.81 -2.02 -3.36 114.58 121.68 2cm3 h GLU 62 Ca -0.32 -0.75 -0.01 0.00 -0.13 0.00 0.00 59.36 58.15 2cm3 h GLU 62 Cb 1.19 0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.85 2cm3 h GLU 62 CO 0.46 1.36 -0.12 0.22 -0.73 0.00 0.00 179.01 180.20 2cm3 h ASP 63 N -0.05 -0.30 -2.44 1.04 3.58 -1.98 -3.43 116.42 112.84 2cm3 h ASP 63 Ca -0.23 0.02 -0.33 0.00 0.42 0.00 0.00 57.03 56.91 2cm3 h ASP 63 Cb 1.97 0.09 -0.35 0.00 1.72 0.00 0.00 39.33 42.76 2cm3 h ASP 63 CO 0.22 -0.17 -0.63 0.21 -2.88 0.00 0.00 179.24 175.98 2cm3 s ASN 64 N -2.60 1.54 -0.13 2.28 3.84 -1.26 -5.00 114.94 113.60 2cm3 s ASN 64 Ca -0.04 -0.39 0.07 0.00 0.21 0.00 0.00 52.86 52.71 2cm3 s ASN 64 Cb 0.01 0.39 0.45 0.00 -0.55 0.00 0.00 41.25 41.54 2cm3 s ASN 64 CO 0.14 -0.35 1.19 -0.90 -2.79 0.00 0.00 177.10 174.39 2cm3 n ASP 65 N 5.31 3.58 -4.69 -4.21 5.68 -1.26 -4.79 116.55 116.17 2cm3 n ASP 65 Ca -0.05 -2.51 -0.39 0.00 -0.50 0.00 0.00 54.79 51.34 2cm3 n ASP 65 Cb 0.48 -0.60 -0.06 0.00 -1.14 0.00 0.00 41.12 39.80 2cm3 n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2cm3 s TYR 66 N -1.96 3.44 -0.05 2.11 5.04 -1.26 -0.80 117.35 123.88 2cm3 s TYR 66 Ca 0.30 0.89 -0.05 0.00 -2.44 0.00 0.00 57.07 55.76 2cm3 s TYR 66 Cb 0.23 -2.66 0.01 0.00 0.35 0.00 0.00 41.96 39.89 2cm3 s TYR 66 CO 0.09 -0.00 0.14 -1.50 -1.34 0.00 0.00 175.55 172.93 2cm3 s ILE 67 N 1.25 0.00 -1.03 3.14 2.07 -1.26 -4.94 121.20 120.43 2cm3 s ILE 67 Ca 0.27 -0.01 -0.23 0.00 -1.41 0.00 0.00 60.65 59.27 2cm3 s ILE 67 Cb -0.16 -0.21 0.03 0.00 0.13 0.00 0.00 42.46 42.26 2cm3 s ILE 67 CO 0.11 -0.01 1.59 0.21 -1.91 0.00 0.00 174.94 174.93 2cm3 s ASN 68 N 0.04 6.23 -0.14 4.50 3.84 -1.26 -4.54 114.94 123.62 2cm3 s ASN 68 Ca -0.00 -1.40 -0.25 0.00 0.21 0.00 0.00 52.86 51.41 2cm3 s ASN 68 Cb -0.01 -2.57 0.06 0.00 -0.55 0.00 0.00 41.25 38.18 2cm3 s ASN 68 CO 0.00 -1.76 0.63 0.00 -2.79 0.00 0.00 177.10 173.18 2cm3 s ALA 69 N 6.07 -1.59 0.05 1.71 0.00 -1.26 -3.16 121.76 123.58 2cm3 s ALA 69 Ca 0.52 1.46 0.07 0.00 0.00 0.00 0.00 51.96 54.01 2cm3 s ALA 69 Cb -0.01 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 2cm3 s ALA 69 CO -0.06 -0.33 -0.20 -1.12 0.00 0.00 0.00 175.76 174.05 2cm3 s SER 70 N -0.47 2.41 -0.31 0.00 0.01 0.20 -1.22 113.70 114.32 2cm3 s SER 70 Ca -0.06 -0.54 -0.16 0.00 1.31 0.00 0.00 55.95 56.49 2cm3 s SER 70 Cb -0.03 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 2cm3 s SER 70 CO 0.05 0.13 0.43 -0.22 0.41 0.00 0.00 173.24 174.04 2cm3 s LEU 71 N -1.30 4.21 -0.36 2.44 2.96 0.15 -0.97 118.68 125.80 2cm3 s LEU 71 Ca 0.07 0.13 -0.10 0.00 -0.22 0.00 0.00 54.13 54.00 2cm3 s LEU 71 Cb -0.09 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 44.13 2cm3 s LEU 71 CO 0.02 -0.32 0.19 -0.63 -1.32 0.00 0.00 176.35 174.29 2cm3 s ILE 72 N 2.19 4.50 -0.38 6.68 1.09 0.10 -4.86 121.20 130.52 2cm3 s ILE 72 Ca 0.16 -0.81 -0.05 0.00 -1.10 0.00 0.00 60.65 58.85 2cm3 s ILE 72 Cb -0.16 -3.48 0.08 0.00 -1.06 0.00 0.00 42.46 37.84 2cm3 s ILE 72 CO 0.11 -0.18 0.17 -0.75 -0.10 0.00 0.00 174.94 174.19 2cm3 s LYS 73 N 1.55 2.39 -0.77 2.79 2.20 -1.26 -0.77 119.74 125.86 2cm3 s LYS 73 Ca 0.02 -1.49 -0.21 0.00 -0.36 0.00 0.00 55.97 53.93 2cm3 s LYS 73 Cb -0.19 -3.56 0.10 0.00 -1.51 0.00 0.00 37.83 32.67 2cm3 s LYS 73 CO 0.06 -0.89 1.02 -1.64 -0.36 0.00 0.00 175.35 173.55 2cm3 s MET 74 N 1.30 3.31 0.13 4.03 -1.94 -0.16 -4.92 119.30 121.05 2cm3 s MET 74 Ca 0.02 -1.24 -0.32 0.00 -1.71 0.00 0.00 55.69 52.43 2cm3 s MET 74 Cb -0.22 -4.54 -0.10 0.00 2.01 0.00 0.00 34.83 31.99 2cm3 s MET 74 CO -0.00 -1.79 1.56 0.93 -0.01 0.00 0.00 175.02 175.70 2cm3 h GLU 75 N 9.26 -0.45 -0.07 2.03 4.39 -1.96 0.66 114.58 128.43 2cm3 h GLU 75 Ca -0.10 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2cm3 h GLU 75 Cb 1.05 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2cm3 h GLU 75 CO 1.15 -0.30 -0.03 1.49 -1.16 0.00 0.00 179.01 180.16 2cm3 h GLU 76 N -0.47 0.14 0.00 2.33 4.81 -1.97 -2.88 114.58 116.54 2cm3 h GLU 76 Ca 0.06 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2cm3 h GLU 76 Cb 0.63 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2cm3 h GLU 76 CO -0.52 0.50 0.00 0.00 -0.73 0.00 0.00 179.01 178.26 2cm3 n ALA 77 N -2.33 1.34 -3.48 2.92 0.00 -1.18 -4.89 120.51 112.88 2cm3 n ALA 77 Ca -0.07 0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 2cm3 n ALA 77 Cb 0.25 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.46 2cm3 n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2cm3 n GLN 78 N -2.14 -6.42 -3.76 0.00 6.02 0.21 -4.86 117.38 106.41 2cm3 n GLN 78 Ca 0.00 0.81 -0.13 0.00 -0.01 0.00 0.00 57.00 57.68 2cm3 n GLN 78 Cb 0.12 -5.76 -0.11 0.00 1.02 0.00 0.00 30.24 25.51 2cm3 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2cm3 s ARG 79 N -5.51 0.32 0.10 -1.09 3.52 -1.09 -4.99 118.95 110.20 2cm3 s ARG 79 Ca 0.04 0.44 0.06 0.00 -0.13 0.00 0.00 55.73 56.13 2cm3 s ARG 79 Cb -0.02 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 2cm3 s ARG 79 CO 0.74 -0.06 -0.04 -1.12 -0.81 0.00 0.00 175.30 174.01 2cm3 s SER 80 N 0.36 4.76 -0.03 -2.12 0.01 -1.26 -0.99 113.70 114.43 2cm3 s SER 80 Ca -0.02 -0.27 -0.07 0.00 1.31 0.00 0.00 55.95 56.90 2cm3 s SER 80 Cb -0.03 -1.04 0.01 0.00 0.21 0.00 0.00 66.02 65.16 2cm3 s SER 80 CO -0.01 0.17 0.16 -0.31 0.41 0.00 0.00 173.24 173.66 2cm3 s TYR 81 N -1.28 -0.07 -0.28 2.43 1.51 0.05 -4.29 117.35 115.41 2cm3 s TYR 81 Ca 0.24 0.16 -0.06 0.00 -1.01 0.00 0.00 57.07 56.39 2cm3 s TYR 81 Cb -0.11 0.01 0.01 0.00 -0.11 0.00 0.00 41.96 41.75 2cm3 s TYR 81 CO 0.16 -0.21 0.06 0.42 -1.11 0.00 0.00 175.55 174.87 2cm3 s ILE 82 N -0.74 3.83 -0.15 2.71 1.01 -0.37 0.00 121.20 127.50 2cm3 s ILE 82 Ca -0.08 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 2cm3 s ILE 82 Cb -0.05 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2cm3 s ILE 82 CO 0.01 0.12 0.12 -0.76 0.00 0.00 0.00 174.94 174.43 2cm3 s LEU 83 N 1.48 4.22 0.19 2.97 1.02 -0.14 -0.01 118.68 128.41 2cm3 s LEU 83 Ca 0.03 0.33 -0.09 0.00 0.02 0.00 0.00 54.13 54.41 2cm3 s LEU 83 Cb -0.17 -2.05 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 2cm3 s LEU 83 CO 0.01 0.30 0.32 0.28 0.02 0.00 0.00 176.35 177.29 2cm3 s THR 84 N -0.40 0.04 0.62 5.49 -1.32 -0.60 0.62 115.64 120.10 2cm3 s THR 84 Ca 0.11 -1.47 -0.09 0.00 -1.21 0.00 0.00 61.69 59.03 2cm3 s THR 84 Cb -0.12 -2.03 -0.01 0.00 -1.51 0.00 0.00 72.50 68.84 2cm3 s THR 84 CO 0.01 -0.17 0.99 0.00 -2.21 0.00 0.00 174.62 173.24 2cm3 s GLN 85 N -4.01 3.17 0.27 7.08 -2.07 -1.19 -3.73 119.66 119.20 2cm3 s GLN 85 Ca 0.21 0.39 -0.30 0.00 -1.82 0.00 0.00 55.36 53.85 2cm3 s GLN 85 Cb 0.03 -2.15 -0.11 0.00 -1.09 0.00 0.00 33.01 29.69 2cm3 s GLN 85 CO 0.04 -0.71 1.49 0.20 -1.32 0.00 0.00 175.29 174.99 2cm3 s GLY 86 N -4.26 2.31 0.56 2.60 0.00 -0.13 -4.86 107.32 103.53 2cm3 s GLY 86 Ca 0.55 1.42 -0.19 0.00 0.00 0.00 0.00 44.72 46.50 2cm3 s GLY 86 CO 0.50 2.36 0.89 -1.05 0.00 0.00 0.00 173.10 175.79 2cm3 n PRO 87 N 2.11 0.91 -3.78 2.90 -0.02 -1.26 -4.70 135.00 131.17 2cm3 n PRO 87 Ca 0.07 0.35 -0.23 0.00 -2.02 0.00 0.00 63.50 61.66 2cm3 n PRO 87 Cb 0.39 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 2cm3 n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2cm3 s LEU 88 N -1.20 4.23 0.60 2.45 1.43 -1.26 -1.74 118.68 123.19 2cm3 s LEU 88 Ca 0.72 0.22 0.28 0.00 -1.03 0.00 0.00 54.13 54.32 2cm3 s LEU 88 Cb -0.45 -3.02 1.37 0.00 0.03 0.00 0.00 46.19 44.12 2cm3 s LEU 88 CO 0.50 -0.11 1.78 -0.65 0.23 0.00 0.00 176.35 178.10 2cm3 h PRO 89 N 1.26 0.00 -0.01 1.29 0.11 -1.96 0.81 132.00 133.50 2cm3 h PRO 89 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2cm3 h PRO 89 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2cm3 h PRO 89 CO 0.63 0.00 -0.57 0.27 -0.21 0.00 0.00 178.00 178.12 2cm3 n ASN 90 N -3.49 1.22 -0.87 -2.05 6.94 -1.26 -4.46 115.26 111.30 2cm3 n ASN 90 Ca 0.09 -1.11 0.07 0.00 -0.02 0.00 0.00 54.58 53.61 2cm3 n ASN 90 Cb 0.77 0.74 0.21 0.00 -2.36 0.00 0.00 39.78 39.15 2cm3 n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2cm3 n THR 91 N -0.76 1.34 -0.15 5.53 -2.24 0.25 -4.63 114.28 113.62 2cm3 n THR 91 Ca 0.05 -1.19 -0.04 0.00 -2.27 0.00 0.00 64.05 60.61 2cm3 n THR 91 Cb 0.31 0.32 0.16 0.00 -2.10 0.00 0.00 70.33 69.02 2cm3 n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cm3 h GLY 93 N 0.99 0.55 0.85 0.00 0.00 -1.90 -1.87 103.07 101.70 2cm3 h GLY 93 Ca 0.18 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 2cm3 h GLY 93 CO 0.00 0.63 0.04 0.45 0.00 0.00 0.00 176.54 177.66 2cm3 h HIS 94 N 0.36 0.40 -0.71 5.60 -0.00 -1.70 0.27 115.15 119.37 2cm3 h HIS 94 Ca -0.01 -0.06 0.08 0.00 -0.00 0.00 0.00 60.37 60.38 2cm3 h HIS 94 Cb 1.21 -0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 28.44 2cm3 h HIS 94 CO 0.05 0.51 0.37 0.35 -0.00 0.00 0.00 177.93 179.20 2cm3 h PHE 95 N 0.17 0.67 0.00 2.45 3.04 0.13 0.62 116.94 124.02 2cm3 h PHE 95 Ca 0.07 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 61.89 2cm3 h PHE 95 Cb 0.32 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 2cm3 h PHE 95 CO 0.02 0.26 -0.77 -1.49 -2.02 0.00 0.00 178.31 174.32 2cm3 h TRP 96 N 0.64 0.00 -0.55 0.41 4.06 -1.12 -2.26 115.95 117.13 2cm3 h TRP 96 Ca 0.34 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.18 2cm3 h TRP 96 Cb 0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 2cm3 h TRP 96 CO -0.10 0.77 -0.09 1.49 -3.56 0.00 0.00 178.44 176.95 2cm3 h GLU 97 N 0.00 1.02 0.29 0.49 4.81 0.29 -2.04 114.58 119.45 2cm3 h GLU 97 Ca -0.01 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 2cm3 h GLU 97 Cb 1.49 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 2cm3 h GLU 97 CO 0.10 1.05 -0.18 1.98 -0.73 0.00 0.00 179.01 181.23 2cm3 h MET 98 N 0.91 -0.44 -0.71 1.92 4.05 -0.79 0.22 114.93 120.08 2cm3 h MET 98 Ca 0.14 0.03 0.14 0.00 -0.28 0.00 0.00 59.70 59.74 2cm3 h MET 98 Cb 0.66 0.10 -0.13 0.00 -0.80 0.00 0.00 31.60 31.42 2cm3 h MET 98 CO 0.05 -0.29 -0.19 0.28 0.23 0.00 0.00 176.91 176.98 2cm3 h VAL 99 N -0.46 0.28 0.68 -5.77 2.07 -1.28 0.20 116.25 111.96 2cm3 h VAL 99 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2cm3 h VAL 99 Cb 0.38 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2cm3 h VAL 99 CO 0.03 0.00 -0.32 -0.25 0.02 0.00 0.00 177.57 177.05 2cm3 h TRP 100 N -0.01 -0.84 -0.77 1.57 2.91 -0.79 -1.61 115.95 116.41 2cm3 h TRP 100 Ca 0.34 -0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.40 2cm3 h TRP 100 Cb 0.53 0.28 -0.05 0.00 -0.51 0.00 0.00 29.16 29.41 2cm3 h TRP 100 CO -0.58 -0.49 0.51 0.93 -1.03 0.00 0.00 178.44 177.78 2cm3 h GLU 101 N -1.05 0.81 -0.07 2.65 5.08 -0.15 -1.10 114.58 120.76 2cm3 h GLU 101 Ca -0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2cm3 h GLU 101 Cb 0.73 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2cm3 h GLU 101 CO 0.15 0.54 0.00 1.04 -1.00 0.00 0.00 179.01 179.74 2cm3 n GLN 102 N -4.48 1.47 -2.50 2.33 1.13 0.66 -4.93 117.38 111.05 2cm3 n GLN 102 Ca 0.11 -0.70 -0.17 0.00 -1.94 0.00 0.00 57.00 54.30 2cm3 n GLN 102 Cb 0.21 -1.41 -0.00 0.00 0.11 0.00 0.00 30.24 29.14 2cm3 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2cm3 n LYS 103 N -0.11 -2.23 -1.83 -1.09 5.02 -0.42 -4.03 118.16 113.46 2cm3 n LYS 103 Ca 0.18 0.78 -0.36 0.00 -2.02 0.00 0.00 58.31 56.89 2cm3 n LYS 103 Cb 0.26 -5.43 0.05 0.00 -0.02 0.00 0.00 35.03 29.89 2cm3 n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2cm3 s SER 104 N -2.11 4.88 -0.12 4.39 0.01 -0.73 -0.89 113.70 119.12 2cm3 s SER 104 Ca 0.04 2.41 0.10 0.00 1.31 0.00 0.00 55.95 59.80 2cm3 s SER 104 Cb -0.02 -2.60 -0.15 0.00 0.21 0.00 0.00 66.02 63.47 2cm3 s SER 104 CO 0.05 -1.81 0.02 -1.14 0.41 0.00 0.00 173.24 170.77 2cm3 n ARG 105 N -1.92 1.82 -4.17 12.44 3.00 -1.26 -4.81 116.66 121.76 2cm3 n ARG 105 Ca 0.14 0.01 -0.17 0.00 -0.00 0.00 0.00 57.85 57.82 2cm3 n ARG 105 Cb 0.50 -1.31 -0.12 0.00 0.00 0.00 0.00 32.46 31.53 2cm3 n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2cm3 s GLY 106 N -4.62 0.84 -0.12 5.14 0.00 -1.26 -1.08 107.32 106.22 2cm3 s GLY 106 Ca -0.08 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.61 2cm3 s GLY 106 CO 0.48 -1.09 -0.13 0.14 0.00 0.00 0.00 173.10 172.50 2cm3 s VAL 107 N -1.63 1.45 -0.29 1.40 1.01 -0.23 -1.20 120.40 120.91 2cm3 s VAL 107 Ca -0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 2cm3 s VAL 107 Cb -0.08 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2cm3 s VAL 107 CO 0.02 0.43 0.14 -0.69 0.00 0.00 0.00 175.10 175.00 2cm3 s VAL 108 N 1.30 4.61 -0.20 2.92 1.01 0.18 -0.50 120.40 129.72 2cm3 s VAL 108 Ca -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 2cm3 s VAL 108 Cb -0.14 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 2cm3 s VAL 108 CO -0.06 0.15 -0.01 -0.32 0.00 0.00 0.00 175.10 174.86 2cm3 s MET 109 N 1.63 3.57 -0.14 2.72 0.00 0.61 -1.01 119.30 126.69 2cm3 s MET 109 Ca 0.05 -0.54 0.15 0.00 0.00 0.00 0.00 55.69 55.35 2cm3 s MET 109 Cb -0.16 -3.05 0.51 0.00 0.00 0.00 0.00 34.83 32.12 2cm3 s MET 109 CO 0.06 -0.01 1.41 1.28 0.00 0.00 0.00 175.02 177.76 2cm3 n LEU 110 N 4.30 3.82 -4.24 4.11 4.77 0.21 -0.92 117.00 129.07 2cm3 n LEU 110 Ca -0.17 -2.76 -0.15 0.00 -0.03 0.00 0.00 56.01 52.90 2cm3 n LEU 110 Cb 0.52 -0.48 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 2cm3 n LEU 110 CO 0.31 0.69 -0.20 0.54 -1.33 0.00 0.00 177.39 177.41 2cm3 s ASN 111 N -1.61 0.73 -0.02 -1.43 4.22 -1.26 -4.79 114.94 110.79 2cm3 s ASN 111 Ca 0.39 -1.52 0.00 0.00 -2.14 0.00 0.00 52.86 49.59 2cm3 s ASN 111 Cb 0.30 0.43 -0.04 0.00 1.28 0.00 0.00 41.25 43.22 2cm3 s ASN 111 CO 0.12 -0.91 0.04 -0.13 -2.04 0.00 0.00 177.10 174.17 2cm3 s ARG 112 N -3.91 2.95 0.00 3.55 0.52 -1.26 -4.86 118.95 115.93 2cm3 s ARG 112 Ca 0.39 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 2cm3 s ARG 112 Cb 0.05 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.74 2cm3 s ARG 112 CO 0.17 0.65 0.81 1.55 0.02 0.00 0.00 175.30 178.50 2cm3 n VAL 113 N 1.41 1.32 -3.32 3.52 3.14 -1.26 -4.13 118.33 119.01 2cm3 n VAL 113 Ca -0.15 0.42 -0.07 0.00 -2.96 0.00 0.00 64.34 61.58 2cm3 n VAL 113 Cb 0.53 -1.42 -0.07 0.00 -1.06 0.00 0.00 33.84 31.82 2cm3 n VAL 113 CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 2cm3 s MET 114 N -2.62 0.38 -0.16 1.45 -2.45 -1.26 -3.60 119.30 111.03 2cm3 s MET 114 Ca 0.00 0.57 0.00 0.00 -1.25 0.00 0.00 55.69 55.02 2cm3 s MET 114 Cb 0.00 -0.32 0.03 0.00 1.25 0.00 0.00 34.83 35.79 2cm3 s MET 114 CO 0.00 -0.67 -0.11 -1.21 1.05 0.00 0.00 175.02 174.09 2cm3 s GLU 115 N 2.59 1.98 4.22 4.11 2.02 -1.26 -4.91 118.70 127.45 2cm3 s GLU 115 Ca 0.14 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2cm3 s GLU 115 Cb -0.15 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 31.95 2cm3 s GLU 115 CO -0.17 -0.33 0.00 1.63 0.02 0.00 0.00 175.26 176.40 2cm3 n LYS 116 N 4.78 0.00 -0.00 1.61 5.02 -1.26 -3.59 118.16 124.72 2cm3 n LYS 116 Ca -0.15 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.23 2cm3 n LYS 116 Cb 0.48 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.57 2cm3 n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cm3 n GLY 117 N 0.00 0.31 0.00 0.72 0.00 -1.26 -4.92 105.19 100.03 2cm3 n GLY 117 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2cm3 n GLY 117 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cm3 n SER 118 N 0.97 0.00 -3.15 1.61 7.64 -1.24 -5.11 113.62 114.34 2cm3 n SER 118 Ca 0.10 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.03 2cm3 n SER 118 Cb 0.43 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.62 2cm3 n SER 118 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2cm3 s LEU 119 N 0.00 -0.59 0.01 -3.43 0.20 -1.26 -4.53 118.68 109.08 2cm3 s LEU 119 Ca 0.00 0.31 0.25 0.00 0.69 0.00 0.00 54.13 55.38 2cm3 s LEU 119 Cb 0.00 1.47 0.50 0.00 -0.43 0.00 0.00 46.19 47.73 2cm3 s LEU 119 CO 0.00 -0.11 1.41 0.29 -0.29 0.00 0.00 176.35 177.65 2cm3 n LYS 120 N 5.41 0.04 -3.54 1.98 4.76 -1.24 -4.92 118.16 120.66 2cm3 n LYS 120 Ca -0.03 0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.31 2cm3 n LYS 120 Cb 0.54 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 32.17 2cm3 n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2cm3 s ALA 122 N -1.94 2.90 -1.19 0.00 0.00 -0.71 -4.64 121.76 116.18 2cm3 s ALA 122 Ca -0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 2cm3 s ALA 122 Cb -0.01 -2.93 0.21 0.00 0.00 0.00 0.00 23.12 20.40 2cm3 s ALA 122 CO -0.02 -1.26 1.45 0.94 0.00 0.00 0.00 175.76 176.88 2cm3 n GLN 123 N -3.03 3.58 0.00 0.00 -0.06 -1.26 -4.81 117.38 111.79 2cm3 n GLN 123 Ca 0.07 -4.00 0.14 0.00 -2.00 0.00 0.00 57.00 51.21 2cm3 n GLN 123 Cb 0.58 -2.85 0.66 0.00 -4.06 0.00 0.00 30.24 24.58 2cm3 n GLN 123 CO 0.00 0.00 0.00 2.48 -0.20 0.00 0.00 177.06 179.34 2cm3 n TYR 124 N 4.15 0.00 -4.33 3.69 0.18 -1.26 -4.83 117.16 114.76 2cm3 n TYR 124 Ca 0.33 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.86 2cm3 n TYR 124 Cb 0.40 -0.37 -0.12 0.00 -0.38 0.00 0.00 39.34 38.86 2cm3 n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2cm3 s TRP 125 N -2.78 1.97 -0.01 -3.48 -2.14 -1.26 -5.04 118.94 106.21 2cm3 s TRP 125 Ca 0.21 -0.41 -0.30 0.00 2.66 0.00 0.00 56.10 58.26 2cm3 s TRP 125 Cb 0.20 -1.06 -0.05 0.00 -3.10 0.00 0.00 33.47 29.46 2cm3 s TRP 125 CO 0.51 0.28 1.34 -1.25 -2.66 0.00 0.00 176.95 175.16 2cm3 s PRO 126 N -2.11 4.31 0.03 3.25 0.04 -1.26 -4.92 135.00 134.34 2cm3 s PRO 126 Ca 0.11 1.88 0.28 0.00 0.04 0.00 0.00 61.00 63.31 2cm3 s PRO 126 Cb -0.09 -3.55 1.13 0.00 0.04 0.00 0.00 34.50 32.02 2cm3 s PRO 126 CO 0.05 -0.53 1.87 1.04 0.04 0.00 0.00 177.00 179.48 2cm3 n GLN 127 N 5.24 0.04 -4.50 4.56 6.02 -1.26 -4.56 117.38 122.91 2cm3 n GLN 127 Ca 0.12 0.03 -0.24 0.00 -0.01 0.00 0.00 57.00 56.91 2cm3 n GLN 127 Cb 0.44 -1.54 -0.16 0.00 1.02 0.00 0.00 30.24 30.00 2cm3 n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2cm3 s LYS 128 N -3.01 1.51 0.25 -1.09 3.01 -1.26 -5.02 119.74 114.12 2cm3 s LYS 128 Ca 0.13 -0.35 -0.04 0.00 -1.01 0.00 0.00 55.97 54.70 2cm3 s LYS 128 Cb 0.18 -1.28 0.46 0.00 -1.01 0.00 0.00 37.83 36.18 2cm3 s LYS 128 CO 0.55 0.01 1.73 0.93 0.51 0.00 0.00 175.35 179.09 2cm3 h GLU 129 N 6.98 0.45 -0.00 1.68 3.07 -1.87 0.08 114.58 124.97 2cm3 h GLU 129 Ca -0.32 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 2cm3 h GLU 129 Cb 1.18 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 2cm3 h GLU 129 CO 0.48 0.30 -0.05 -0.85 -1.40 0.00 0.00 179.01 177.48 2cm3 n GLU 130 N -4.99 0.85 -3.45 2.33 0.00 -1.26 -4.15 120.64 109.98 2cm3 n GLU 130 Ca 0.14 -0.22 -0.29 0.00 0.00 0.00 0.00 57.16 56.79 2cm3 n GLU 130 Cb 0.41 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.28 2cm3 n GLU 130 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2cm3 n LYS 131 N -0.88 2.64 -1.35 3.44 4.76 0.02 -5.09 118.16 121.70 2cm3 n LYS 131 Ca 0.18 -4.64 -0.29 0.00 -2.87 0.00 0.00 58.31 50.68 2cm3 n LYS 131 Cb 0.24 -2.29 0.19 0.00 -1.84 0.00 0.00 35.03 31.32 2cm3 n LYS 131 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2cm3 s GLU 132 N -2.36 0.06 -0.02 1.97 1.03 -1.25 -4.37 118.70 113.75 2cm3 s GLU 132 Ca 0.37 0.10 0.07 0.00 0.03 0.00 0.00 54.97 55.54 2cm3 s GLU 132 Cb 0.11 -1.73 -0.02 0.00 -0.80 0.00 0.00 34.13 31.69 2cm3 s GLU 132 CO -0.02 -2.89 -0.22 -1.64 -1.33 0.00 0.00 175.26 169.15 2cm3 s MET 133 N -5.35 1.90 -0.26 -4.83 -1.94 0.17 -5.00 119.30 104.01 2cm3 s MET 133 Ca 0.68 -0.80 0.02 0.00 -1.71 0.00 0.00 55.69 53.88 2cm3 s MET 133 Cb -0.12 -1.79 0.07 0.00 2.01 0.00 0.00 34.83 34.99 2cm3 s MET 133 CO 0.55 0.45 -0.05 0.42 -0.01 0.00 0.00 175.02 176.38 2cm3 s ILE 134 N -0.43 1.75 -0.78 2.53 1.01 -1.26 -0.57 121.20 123.44 2cm3 s ILE 134 Ca 0.06 -1.45 -0.21 0.00 0.00 0.00 0.00 60.65 59.05 2cm3 s ILE 134 Cb -0.09 -2.01 0.09 0.00 0.01 0.00 0.00 42.46 40.46 2cm3 s ILE 134 CO -0.00 -0.16 1.07 -0.36 0.00 0.00 0.00 174.94 175.49 2cm3 s PHE 135 N 1.28 2.80 0.26 3.97 0.08 0.88 -4.87 117.98 122.39 2cm3 s PHE 135 Ca -0.04 -0.85 -0.02 0.00 0.12 0.00 0.00 56.93 56.14 2cm3 s PHE 135 Cb -0.19 -4.33 0.34 0.00 -0.57 0.00 0.00 43.02 38.27 2cm3 s PHE 135 CO -0.07 -1.63 1.76 0.93 -0.10 0.00 0.00 175.22 176.12 2cm3 h GLU 136 N 9.35 0.80 -0.15 0.44 4.39 -1.95 0.66 114.58 128.11 2cm3 h GLU 136 Ca -0.10 -0.21 0.05 0.00 0.34 0.00 0.00 59.36 59.44 2cm3 h GLU 136 Cb 1.05 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.55 2cm3 h GLU 136 CO 1.18 0.79 -0.20 0.38 -1.16 0.00 0.00 179.01 180.00 2cm3 h ASP 137 N 0.75 -0.63 -0.66 1.42 2.03 -1.97 -2.52 116.42 114.83 2cm3 h ASP 137 Ca 0.15 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 2cm3 h ASP 137 Cb 0.44 0.29 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 2cm3 h ASP 137 CO 0.02 -0.25 0.00 0.35 -1.03 0.00 0.00 179.24 178.33 2cm3 n THR 138 N -5.34 0.87 -3.70 1.15 -2.24 -1.17 -5.00 114.28 98.86 2cm3 n THR 138 Ca -0.02 -0.94 -0.32 0.00 -2.27 0.00 0.00 64.05 60.50 2cm3 n THR 138 Cb 0.26 0.63 0.04 0.00 -2.10 0.00 0.00 70.33 69.16 2cm3 n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2cm3 n ASN 139 N 1.65 -5.12 -4.20 3.42 4.05 0.22 -4.92 115.26 110.36 2cm3 n ASN 139 Ca 0.24 -1.02 -0.21 0.00 0.45 0.00 0.00 54.58 54.03 2cm3 n ASN 139 Cb 0.63 -3.33 -0.13 0.00 1.23 0.00 0.00 39.78 38.17 2cm3 n ASN 139 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2cm3 s LEU 140 N -6.51 2.24 -0.08 1.20 1.43 -0.44 -2.27 118.68 114.25 2cm3 s LEU 140 Ca 0.46 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 2cm3 s LEU 140 Cb -0.17 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.37 2cm3 s LEU 140 CO 0.86 0.02 -0.22 -0.75 0.23 0.00 0.00 176.35 176.49 2cm3 s LYS 141 N -1.52 2.77 -0.06 1.70 2.20 -0.08 -0.08 119.74 124.66 2cm3 s LYS 141 Ca 0.02 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 2cm3 s LYS 141 Cb -0.09 -2.28 0.01 0.00 -1.51 0.00 0.00 37.83 33.96 2cm3 s LYS 141 CO 0.02 0.34 -0.12 -1.17 -0.36 0.00 0.00 175.35 174.06 2cm3 s LEU 142 N -0.04 1.66 -0.02 5.43 2.96 0.27 0.11 118.68 129.04 2cm3 s LEU 142 Ca -0.06 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2cm3 s LEU 142 Cb -0.15 -0.81 0.00 0.00 0.50 0.00 0.00 46.19 45.73 2cm3 s LEU 142 CO 0.05 0.04 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.14 2cm3 s THR 143 N 0.61 0.73 -0.30 3.68 2.01 -0.21 -0.66 115.64 121.51 2cm3 s THR 143 Ca -0.13 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 2cm3 s THR 143 Cb -0.15 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.73 2cm3 s THR 143 CO 0.03 0.23 1.08 -0.22 -0.69 0.00 0.00 174.62 175.05 2cm3 s LEU 144 N 0.14 3.97 -0.09 4.42 2.96 -1.26 -0.74 118.68 128.07 2cm3 s LEU 144 Ca -0.02 1.14 -0.03 0.00 -0.22 0.00 0.00 54.13 55.01 2cm3 s LEU 144 Cb -0.08 -3.54 -0.26 0.00 0.50 0.00 0.00 46.19 42.81 2cm3 s LEU 144 CO 0.00 -0.84 0.47 0.40 -1.32 0.00 0.00 176.35 175.06 2cm3 h ILE 145 N 5.68 0.71 -1.48 6.68 1.08 -0.97 -3.38 117.51 125.82 2cm3 h ILE 145 Ca -0.21 -2.45 0.30 0.00 -0.39 0.00 0.00 64.86 62.12 2cm3 h ILE 145 Cb 1.06 2.51 -0.14 0.00 -3.07 0.00 0.00 36.82 37.19 2cm3 h ILE 145 CO 1.02 0.81 0.81 -0.94 -0.69 0.00 0.00 178.15 179.16 2cm3 s SER 146 N -6.85 -0.09 -0.04 1.72 1.04 -1.11 -4.99 113.70 103.38 2cm3 s SER 146 Ca -0.18 -0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.01 2cm3 s SER 146 Cb 0.07 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.38 2cm3 s SER 146 CO 0.79 -0.30 0.33 -1.83 0.98 0.00 0.00 173.24 173.21 2cm3 s GLU 147 N -2.45 0.61 -0.29 4.02 -1.05 -1.26 -1.21 118.70 117.07 2cm3 s GLU 147 Ca 0.13 -0.02 0.03 0.00 -0.15 0.00 0.00 54.97 54.96 2cm3 s GLU 147 Cb 0.03 0.28 0.08 0.00 -0.44 0.00 0.00 34.13 34.07 2cm3 s GLU 147 CO -0.04 -0.15 -0.04 0.34 0.95 0.00 0.00 175.26 176.32 2cm3 s ASP 148 N -0.96 4.55 -0.17 0.83 -1.08 0.44 -4.98 116.67 115.29 2cm3 s ASP 148 Ca -0.10 -1.70 -0.21 0.00 -0.52 0.00 0.00 52.55 50.02 2cm3 s ASP 148 Cb -0.04 -1.56 -0.03 0.00 -1.46 0.00 0.00 42.92 39.83 2cm3 s ASP 148 CO 0.03 -0.27 0.61 -0.63 0.52 0.00 0.00 175.17 175.44 2cm3 s ILE 149 N 1.04 5.05 0.49 4.11 1.01 -1.26 -1.54 121.20 130.10 2cm3 s ILE 149 Ca -0.01 1.17 0.02 0.00 0.00 0.00 0.00 60.65 61.83 2cm3 s ILE 149 Cb -0.20 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 2cm3 s ILE 149 CO -0.06 0.16 0.05 -0.54 0.00 0.00 0.00 174.94 174.54 2cm3 s LYS 150 N 1.62 2.14 0.11 2.79 1.02 -0.10 -5.00 119.74 122.32 2cm3 s LYS 150 Ca 0.29 -2.36 -0.32 0.00 0.02 0.00 0.00 55.97 53.60 2cm3 s LYS 150 Cb -0.16 -1.19 -0.11 0.00 -0.52 0.00 0.00 37.83 35.85 2cm3 s LYS 150 CO 0.11 -0.44 1.58 0.77 -0.92 0.00 0.00 175.35 176.45 2cm3 h SER 151 N 1.45 -1.31 -0.02 2.83 0.02 -2.02 -3.29 113.55 111.21 2cm3 h SER 151 Ca -0.41 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2cm3 h SER 151 Cb 1.31 0.48 0.00 0.00 0.14 0.00 0.00 62.40 64.33 2cm3 h SER 151 CO 0.67 -0.52 -0.04 0.00 -1.14 0.00 0.00 176.83 175.81 2cm3 n TYR 152 N -5.48 0.00 -3.51 3.45 4.11 -1.26 -4.83 117.16 109.64 2cm3 n TYR 152 Ca -0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.71 2cm3 n TYR 152 Cb 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.70 2cm3 n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 2cm3 s TYR 153 N -1.30 -0.43 0.10 -3.48 1.13 -1.24 -2.36 117.35 109.77 2cm3 s TYR 153 Ca 0.17 0.48 0.08 0.00 -1.41 0.00 0.00 57.07 56.38 2cm3 s TYR 153 Cb 0.12 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.45 2cm3 s TYR 153 CO 0.21 -0.55 -0.20 0.99 -2.51 0.00 0.00 175.55 173.49 2cm3 s THR 154 N -2.41 1.60 -0.07 -3.49 2.01 0.48 -0.92 115.64 112.83 2cm3 s THR 154 Ca 0.00 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.50 2cm3 s THR 154 Cb -0.01 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 71.06 2cm3 s THR 154 CO -0.04 -0.09 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.05 2cm3 s VAL 155 N -1.19 0.73 0.14 3.82 1.01 -0.59 0.16 120.40 124.49 2cm3 s VAL 155 Ca 0.05 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 61.94 2cm3 s VAL 155 Cb -0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2cm3 s VAL 155 CO 0.04 0.29 -0.18 -0.13 0.00 0.00 0.00 175.10 175.11 2cm3 s ARG 156 N 1.25 1.75 -0.30 2.72 0.52 0.74 -0.42 118.95 125.21 2cm3 s ARG 156 Ca -0.05 -1.27 -0.06 0.00 -0.52 0.00 0.00 55.73 53.83 2cm3 s ARG 156 Cb -0.14 -2.06 0.02 0.00 0.52 0.00 0.00 34.95 33.29 2cm3 s ARG 156 CO -0.02 0.46 0.08 -0.65 0.02 0.00 0.00 175.30 175.18 2cm3 s GLN 157 N -2.34 2.97 0.08 3.54 -1.52 -0.35 -0.79 119.66 121.25 2cm3 s GLN 157 Ca 0.19 -0.94 0.07 0.00 -1.95 0.00 0.00 55.36 52.74 2cm3 s GLN 157 Cb -0.10 -3.37 -0.04 0.00 -0.22 0.00 0.00 33.01 29.29 2cm3 s GLN 157 CO 0.11 -0.49 -0.15 -0.51 -0.25 0.00 0.00 175.29 173.99 2cm3 s LEU 158 N 1.47 2.78 -0.25 2.90 1.43 -0.33 -0.24 118.68 126.44 2cm3 s LEU 158 Ca 0.01 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2cm3 s LEU 158 Cb -0.18 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.44 2cm3 s LEU 158 CO 0.02 0.21 -0.05 -0.70 0.23 0.00 0.00 176.35 176.07 2cm3 s GLU 159 N -1.85 2.94 -0.20 1.70 2.12 0.08 -0.51 118.70 122.99 2cm3 s GLU 159 Ca 0.17 -0.91 -0.07 0.00 0.36 0.00 0.00 54.97 54.52 2cm3 s GLU 159 Cb -0.11 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 2cm3 s GLU 159 CO 0.09 -0.37 0.06 -1.17 -0.54 0.00 0.00 175.26 173.33 2cm3 s LEU 160 N 1.36 3.74 -0.10 2.70 2.96 0.64 -1.05 118.68 128.94 2cm3 s LEU 160 Ca 0.01 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 2cm3 s LEU 160 Cb -0.16 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.58 2cm3 s LEU 160 CO -0.04 0.13 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.23 2cm3 s GLU 161 N 0.62 2.56 -0.91 1.98 2.12 0.30 -0.67 118.70 124.70 2cm3 s GLU 161 Ca 0.03 -0.70 -0.24 0.00 0.36 0.00 0.00 54.97 54.42 2cm3 s GLU 161 Cb -0.13 -2.04 0.03 0.00 0.26 0.00 0.00 34.13 32.25 2cm3 s GLU 161 CO 0.01 0.05 1.49 1.21 -0.54 0.00 0.00 175.26 177.49 2cm3 s ASN 162 N 0.65 6.17 0.44 -1.70 3.84 0.29 -0.91 114.94 123.73 2cm3 s ASN 162 Ca -0.13 -0.99 0.18 0.00 0.21 0.00 0.00 52.86 52.13 2cm3 s ASN 162 Cb -0.16 -2.56 1.12 0.00 -0.55 0.00 0.00 41.25 39.09 2cm3 s ASN 162 CO 0.03 -1.80 1.91 -0.07 -2.79 0.00 0.00 177.10 174.38 2cm3 h LEU 163 N 13.71 0.33 -1.74 3.21 3.38 -1.74 1.23 115.31 133.70 2cm3 h LEU 163 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2cm3 h LEU 163 Cb 1.03 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2cm3 h LEU 163 CO 1.35 0.16 -0.06 0.74 0.09 0.00 0.00 178.44 180.72 2cm3 h THR 164 N 0.35 0.20 0.00 0.22 2.02 -1.89 -3.21 112.91 110.60 2cm3 h THR 164 Ca 0.39 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2cm3 h THR 164 Cb 1.01 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2cm3 h THR 164 CO -0.12 0.06 0.00 0.35 0.37 0.00 0.00 175.52 176.18 2cm3 n THR 165 N -3.24 0.24 -0.99 3.16 -2.24 0.42 -5.00 114.28 106.63 2cm3 n THR 165 Ca -0.01 -0.37 -0.05 0.00 -2.27 0.00 0.00 64.05 61.35 2cm3 n THR 165 Cb 0.28 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 2cm3 n THR 165 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2cm3 n GLN 166 N -0.12 -1.77 -2.73 -0.78 -0.06 0.40 -4.93 117.38 107.38 2cm3 n GLN 166 Ca 0.00 0.56 -0.34 0.00 -2.00 0.00 0.00 57.00 55.23 2cm3 n GLN 166 Cb 0.25 -4.66 -0.06 0.00 -4.06 0.00 0.00 30.24 21.71 2cm3 n GLN 166 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2cm3 s GLU 167 N -2.13 4.12 0.06 3.69 2.02 -1.18 -4.84 118.70 120.44 2cm3 s GLU 167 Ca 0.00 1.21 0.04 0.00 0.02 0.00 0.00 54.97 56.23 2cm3 s GLU 167 Cb 0.00 -2.19 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 2cm3 s GLU 167 CO 0.00 -0.13 -0.11 0.95 0.02 0.00 0.00 175.26 175.99 2cm3 s THR 168 N -2.08 0.83 0.04 3.63 -4.23 -1.26 -0.54 115.64 112.02 2cm3 s THR 168 Ca 0.63 -1.22 -0.03 0.00 -1.18 0.00 0.00 61.69 59.89 2cm3 s THR 168 Cb -0.12 -0.87 -0.02 0.00 1.34 0.00 0.00 72.50 72.83 2cm3 s THR 168 CO 0.16 -0.32 0.03 -0.13 -0.54 0.00 0.00 174.62 173.81 2cm3 s ARG 169 N -1.73 0.54 -0.28 3.99 0.52 0.15 -4.97 118.95 117.18 2cm3 s ARG 169 Ca -0.05 -0.90 -0.09 0.00 -0.52 0.00 0.00 55.73 54.17 2cm3 s ARG 169 Cb -0.10 0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.56 2cm3 s ARG 169 CO 0.01 -0.12 0.12 -2.00 0.02 0.00 0.00 175.30 173.33 2cm3 s GLU 170 N -2.88 3.52 -0.16 3.54 2.12 -1.26 -0.26 118.70 123.32 2cm3 s GLU 170 Ca -0.03 -0.59 -0.07 0.00 0.36 0.00 0.00 54.97 54.64 2cm3 s GLU 170 Cb 0.00 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 2cm3 s GLU 170 CO -0.06 -0.30 0.09 0.42 -0.54 0.00 0.00 175.26 174.87 2cm3 s ILE 171 N 1.62 5.02 -0.21 -3.70 -1.09 0.34 -4.92 121.20 118.25 2cm3 s ILE 171 Ca 0.05 0.04 -0.17 0.00 -2.23 0.00 0.00 60.65 58.34 2cm3 s ILE 171 Cb -0.16 -3.23 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 2cm3 s ILE 171 CO 0.05 0.51 0.47 -0.76 -1.23 0.00 0.00 174.94 173.98 2cm3 s LEU 172 N -0.09 4.13 -0.36 2.97 1.43 -0.24 -1.18 118.68 125.34 2cm3 s LEU 172 Ca 0.08 0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 53.67 2cm3 s LEU 172 Cb -0.12 -2.62 0.03 0.00 0.03 0.00 0.00 46.19 43.52 2cm3 s LEU 172 CO 0.01 -0.16 0.16 -2.28 0.23 0.00 0.00 176.35 174.30 2cm3 s HIS 173 N 1.64 3.25 -0.37 0.29 2.46 0.03 -1.07 115.29 121.52 2cm3 s HIS 173 Ca 0.21 -1.18 -0.14 0.00 0.47 0.00 0.00 55.06 54.42 2cm3 s HIS 173 Cb -0.15 -2.36 -0.00 0.00 -0.13 0.00 0.00 32.58 29.94 2cm3 s HIS 173 CO 0.09 -0.68 0.28 -0.06 -2.47 0.00 0.00 174.74 171.90 2cm3 s PHE 174 N 1.48 3.23 -0.37 3.88 0.08 0.35 -0.18 117.98 126.44 2cm3 s PHE 174 Ca 0.00 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.69 2cm3 s PHE 174 Cb -0.19 -2.56 0.10 0.00 -0.57 0.00 0.00 43.02 39.80 2cm3 s PHE 174 CO 0.05 -0.48 0.13 -1.58 -0.10 0.00 0.00 175.22 173.24 2cm3 s HIS 175 N 1.75 3.59 -0.32 0.36 2.46 0.12 -0.28 115.29 122.97 2cm3 s HIS 175 Ca 0.06 -2.51 -0.29 0.00 0.47 0.00 0.00 55.06 52.80 2cm3 s HIS 175 Cb -0.18 -2.99 0.02 0.00 -0.13 0.00 0.00 32.58 29.30 2cm3 s HIS 175 CO 0.11 -0.94 1.06 -0.47 -2.47 0.00 0.00 174.74 172.02 2cm3 s TYR 176 N 1.09 3.15 -2.05 3.88 6.14 -0.10 -0.39 117.35 129.07 2cm3 s TYR 176 Ca 0.07 1.16 0.18 0.00 0.64 0.00 0.00 57.07 59.12 2cm3 s TYR 176 Cb -0.21 -3.68 0.28 0.00 0.42 0.00 0.00 41.96 38.76 2cm3 s TYR 176 CO -0.05 -0.77 1.21 0.25 0.64 0.00 0.00 175.55 176.83 2cm3 n THR 177 N 5.87 0.35 -1.54 4.34 -2.24 -0.99 -3.98 114.28 116.10 2cm3 n THR 177 Ca 0.11 -0.68 -0.03 0.00 -2.27 0.00 0.00 64.05 61.19 2cm3 n THR 177 Cb 0.47 1.07 0.19 0.00 -2.10 0.00 0.00 70.33 69.97 2cm3 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cm3 n THR 178 N 1.10 2.47 -2.61 4.28 -2.24 -1.24 -4.92 114.28 111.12 2cm3 n THR 178 Ca 0.14 -3.01 -0.42 0.00 -2.27 0.00 0.00 64.05 58.49 2cm3 n THR 178 Cb 0.49 -0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 2cm3 n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2cm3 s TRP 179 N -3.28 3.59 0.49 4.78 -0.11 -1.26 -4.98 118.94 118.16 2cm3 s TRP 179 Ca 0.43 1.57 -0.23 0.00 1.22 0.00 0.00 56.10 59.09 2cm3 s TRP 179 Cb 0.40 -3.22 -0.07 0.00 -1.50 0.00 0.00 33.47 29.08 2cm3 s TRP 179 CO -0.02 -0.45 1.24 -1.25 -4.62 0.00 0.00 176.95 171.85 2cm3 s PRO 180 N 0.90 3.55 0.57 5.86 0.04 -1.26 -4.90 135.00 139.77 2cm3 s PRO 180 Ca 0.54 1.95 0.28 0.00 0.04 0.00 0.00 61.00 63.81 2cm3 s PRO 180 Cb -0.24 -2.37 1.52 0.00 0.04 0.00 0.00 34.50 33.45 2cm3 s PRO 180 CO 0.29 -0.77 2.00 -0.44 0.04 0.00 0.00 177.00 178.11 2cm3 h ASP 181 N 1.87 0.00 -4.41 6.66 3.45 -1.99 -3.42 116.42 118.59 2cm3 h ASP 181 Ca -0.50 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 56.63 2cm3 h ASP 181 Cb 1.27 0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 39.85 2cm3 h ASP 181 CO 0.59 0.00 -0.74 -0.36 -1.57 0.00 0.00 179.24 177.16 2cm3 s PHE 182 N -4.73 1.06 0.00 4.55 0.08 -1.26 -4.96 117.98 112.72 2cm3 s PHE 182 Ca -0.05 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.38 2cm3 s PHE 182 Cb 0.17 -0.58 0.00 0.00 -0.57 0.00 0.00 43.02 42.03 2cm3 s PHE 182 CO 0.60 0.00 0.00 0.41 -0.10 0.00 0.00 175.22 176.13 2cm3 n GLY 183 N 0.69 -0.54 3.88 4.36 0.00 -1.26 -4.86 105.19 107.46 2cm3 n GLY 183 Ca -0.17 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 2cm3 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cm3 s VAL 184 N -0.00 3.41 0.35 1.61 -7.23 -1.26 -4.63 120.40 112.64 2cm3 s VAL 184 Ca 0.00 -1.31 -0.29 0.00 -1.81 0.00 0.00 61.98 58.58 2cm3 s VAL 184 Cb 0.00 -3.17 -0.11 0.00 0.56 0.00 0.00 36.38 33.67 2cm3 s VAL 184 CO 0.00 -0.13 1.43 -2.84 -0.31 0.00 0.00 175.10 173.25 2cm3 s PRO 185 N -4.06 4.20 0.46 4.82 0.02 -1.26 -4.86 135.00 134.32 2cm3 s PRO 185 Ca 0.43 2.44 0.12 0.00 0.02 0.00 0.00 61.00 64.01 2cm3 s PRO 185 Cb -0.06 -3.01 1.06 0.00 0.02 0.00 0.00 34.50 32.50 2cm3 s PRO 185 CO 0.28 -0.42 2.09 0.93 -0.33 0.00 0.00 177.00 179.55 2cm3 h GLU 186 N 3.37 0.29 -5.03 5.54 5.08 -1.98 -3.40 114.58 118.44 2cm3 h GLU 186 Ca -0.50 -0.02 -0.52 0.00 -1.00 0.00 0.00 59.36 57.32 2cm3 h GLU 186 Cb 1.23 -0.07 -0.31 0.00 0.50 0.00 0.00 28.75 30.10 2cm3 h GLU 186 CO 0.66 0.19 -0.82 0.45 -1.00 0.00 0.00 179.01 178.49 2cm3 s SER 187 N -6.81 1.88 0.00 1.42 0.15 -1.26 -4.99 113.70 104.09 2cm3 s SER 187 Ca -0.07 -0.31 0.08 0.00 0.70 0.00 0.00 55.95 56.35 2cm3 s SER 187 Cb 0.17 -0.56 0.46 0.00 -1.71 0.00 0.00 66.02 64.39 2cm3 s SER 187 CO 0.71 0.12 1.13 -0.81 1.20 0.00 0.00 173.24 175.59 2cm3 n PRO 188 N 3.26 0.81 0.00 5.44 -0.04 -1.26 -4.34 135.00 138.87 2cm3 n PRO 188 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2cm3 n PRO 188 Cb 0.53 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 2cm3 n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cm3 n ALA 189 N -0.65 -0.11 -0.16 0.55 0.00 -1.26 -0.20 120.51 118.68 2cm3 n ALA 189 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.43 2cm3 n ALA 189 Cb 0.03 0.31 0.02 0.00 0.00 0.00 0.00 19.45 19.80 2cm3 n ALA 189 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2cm3 h SER 190 N 0.00 0.56 -0.64 0.00 4.64 -2.00 -2.37 113.55 113.75 2cm3 h SER 190 Ca 0.00 -0.02 0.13 0.00 -0.47 0.00 0.00 61.79 61.43 2cm3 h SER 190 Cb 0.00 -0.14 -0.10 0.00 -0.31 0.00 0.00 62.40 61.85 2cm3 h SER 190 CO 0.00 0.41 0.08 0.15 -0.87 0.00 0.00 176.83 176.60 2cm3 h PHE 191 N 0.66 0.10 -0.51 4.77 3.57 -1.78 0.29 116.94 124.05 2cm3 h PHE 191 Ca 0.18 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.62 2cm3 h PHE 191 Cb -0.08 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 2cm3 h PHE 191 CO -0.04 -0.11 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.76 2cm3 h LEU 192 N 0.19 0.92 -0.53 0.59 3.38 -0.32 -2.18 115.31 117.36 2cm3 h LEU 192 Ca 0.34 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2cm3 h LEU 192 Cb 0.55 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2cm3 h LEU 192 CO -0.49 1.04 0.24 0.78 0.09 0.00 0.00 178.44 180.10 2cm3 h ASN 193 N 0.83 0.71 -0.38 -0.43 4.21 -0.68 -1.65 115.58 118.19 2cm3 h ASN 193 Ca 0.14 -0.15 0.04 0.00 1.21 0.00 0.00 56.30 57.54 2cm3 h ASN 193 Cb 0.63 -0.18 -0.04 0.00 -1.12 0.00 0.00 38.32 37.61 2cm3 h ASN 193 CO 0.04 0.66 0.17 0.15 -1.29 0.00 0.00 177.43 177.16 2cm3 h PHE 194 N 0.71 0.30 -0.60 1.19 3.57 -0.24 -0.72 116.94 121.16 2cm3 h PHE 194 Ca 0.18 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2cm3 h PHE 194 Cb 0.15 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2cm3 h PHE 194 CO -0.00 0.14 0.33 1.25 -2.23 0.00 0.00 178.31 177.81 2cm3 h LEU 195 N 0.35 0.74 -0.98 0.59 5.85 -1.12 -1.08 115.31 119.65 2cm3 h LEU 195 Ca 0.17 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2cm3 h LEU 195 Cb 0.11 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2cm3 h LEU 195 CO -0.14 0.61 0.46 -0.26 -0.34 0.00 0.00 178.44 178.76 2cm3 h PHE 196 N 0.81 1.16 -0.42 1.25 0.05 -0.84 0.33 116.94 119.27 2cm3 h PHE 196 Ca 0.21 -0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.97 2cm3 h PHE 196 Cb 0.03 -0.37 -0.02 0.00 2.00 0.00 0.00 35.95 37.59 2cm3 h PHE 196 CO -0.01 0.80 0.26 0.87 -0.18 0.00 0.00 178.31 180.05 2cm3 h LYS 197 N 1.18 0.56 -0.80 1.51 1.79 -0.49 0.43 116.57 120.75 2cm3 h LYS 197 Ca 0.30 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.72 2cm3 h LYS 197 Cb 0.03 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.52 2cm3 h LYS 197 CO -0.05 0.40 0.48 0.28 -1.08 0.00 0.00 179.45 179.48 2cm3 h VAL 198 N 0.55 1.22 0.09 0.50 2.07 -0.20 -0.06 116.25 120.43 2cm3 h VAL 198 Ca 0.15 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2cm3 h VAL 198 Cb -0.02 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 2cm3 h VAL 198 CO -0.03 0.23 -0.04 0.03 0.02 0.00 0.00 177.57 177.78 2cm3 h ARG 199 N 1.09 -0.12 -0.00 1.57 3.08 0.34 -2.82 114.38 117.51 2cm3 h ARG 199 Ca 0.29 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2cm3 h ARG 199 Cb -0.04 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2cm3 h ARG 199 CO -0.05 0.12 0.01 0.93 -1.07 0.00 0.00 179.97 179.90 2cm3 h GLU 200 N -0.35 0.00 0.00 0.04 5.08 0.05 -1.56 114.58 117.84 2cm3 h GLU 200 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2cm3 h GLU 200 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2cm3 h GLU 200 CO 0.02 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.69 2cm3 h SER 201 N 0.00 0.00 0.00 1.42 4.64 -0.74 -3.46 113.55 115.41 2cm3 h SER 201 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cm3 h SER 201 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2cm3 h SER 201 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2cm3 n GLY 202 N -0.04 0.82 0.25 -0.77 0.00 -0.59 -4.93 105.19 99.93 2cm3 n GLY 202 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 2cm3 n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cm3 h SER 203 N 0.00 0.00 -0.37 1.61 0.02 -1.77 -2.76 113.55 110.27 2cm3 h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2cm3 h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2cm3 h SER 203 CO 0.00 0.15 0.00 0.18 -1.14 0.00 0.00 176.83 176.02 2cm3 n LEU 204 N -3.94 2.34 -4.89 5.07 4.77 -1.26 -4.35 117.00 114.73 2cm3 n LEU 204 Ca -0.02 -1.10 -0.29 0.00 -0.03 0.00 0.00 56.01 54.57 2cm3 n LEU 204 Cb 0.23 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 2cm3 n LEU 204 CO 0.33 0.55 0.41 -0.94 -1.33 0.00 0.00 177.39 176.41 2cm3 s SER 205 N -1.21 6.39 0.54 -1.43 1.04 -1.04 -4.90 113.70 113.09 2cm3 s SER 205 Ca 0.32 0.98 0.24 0.00 0.48 0.00 0.00 55.95 57.97 2cm3 s SER 205 Cb 0.17 -2.26 1.43 0.00 0.10 0.00 0.00 66.02 65.45 2cm3 s SER 205 CO 0.23 -0.46 2.04 -0.65 0.98 0.00 0.00 173.24 175.39 2cm3 h PRO 206 N 0.81 0.00 -0.31 4.02 0.11 -1.93 -2.84 132.00 131.87 2cm3 h PRO 206 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2cm3 h PRO 206 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2cm3 h PRO 206 CO 0.63 0.00 0.09 1.05 -0.21 0.00 0.00 178.00 179.56 2cm3 h GLU 207 N 0.00 0.43 -6.92 1.05 4.11 -1.94 -3.44 114.58 107.87 2cm3 h GLU 207 Ca 0.17 -0.06 -0.46 0.00 0.07 0.00 0.00 59.36 59.08 2cm3 h GLU 207 Cb 0.71 -0.08 0.05 0.00 0.50 0.00 0.00 28.75 29.93 2cm3 h GLU 207 CO -0.00 0.39 0.04 -1.01 0.07 0.00 0.00 179.01 178.49 2cm3 s HIS 208 N -5.16 3.10 1.10 2.06 3.76 -1.07 -5.08 115.29 114.00 2cm3 s HIS 208 Ca -0.07 0.31 -0.16 0.00 -0.15 0.00 0.00 55.06 54.99 2cm3 s HIS 208 Cb 0.16 -2.65 0.24 0.00 1.11 0.00 0.00 32.58 31.44 2cm3 s HIS 208 CO 0.74 -0.75 1.10 0.20 -0.85 0.00 0.00 174.74 175.18 2cm3 s GLY 209 N -4.33 1.57 0.44 -2.22 0.00 -0.06 -4.94 107.32 97.78 2cm3 s GLY 209 Ca 0.54 -0.64 -0.24 0.00 0.00 0.00 0.00 44.72 44.37 2cm3 s GLY 209 CO 0.41 0.10 1.25 2.56 0.00 0.00 0.00 173.10 177.42 2cm3 s PRO 210 N -5.16 3.78 0.46 2.90 0.04 -1.26 -4.42 135.00 131.34 2cm3 s PRO 210 Ca 0.68 2.01 -0.25 0.00 0.04 0.00 0.00 61.00 63.48 2cm3 s PRO 210 Cb -0.15 -2.56 -0.08 0.00 0.04 0.00 0.00 34.50 31.76 2cm3 s PRO 210 CO 0.57 -0.60 1.41 0.54 0.04 0.00 0.00 177.00 178.96 2cm3 s VAL 211 N -1.38 2.10 -0.27 -0.36 0.11 -1.26 -4.43 120.40 114.91 2cm3 s VAL 211 Ca 0.61 0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 59.62 2cm3 s VAL 211 Cb -0.34 -3.05 -0.04 0.00 -1.53 0.00 0.00 36.38 31.41 2cm3 s VAL 211 CO 0.43 0.01 0.27 -0.69 -3.33 0.00 0.00 175.10 171.79 2cm3 s VAL 212 N -1.22 5.25 -0.10 2.04 1.01 -0.34 -1.24 120.40 125.80 2cm3 s VAL 212 Ca 0.62 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.97 2cm3 s VAL 212 Cb -0.43 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2cm3 s VAL 212 CO 0.55 0.21 -0.12 -0.69 0.00 0.00 0.00 175.10 175.04 2cm3 s VAL 213 N 1.87 3.17 0.01 2.92 1.01 0.98 0.47 120.40 130.84 2cm3 s VAL 213 Ca 0.11 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 2cm3 s VAL 213 Cb -0.16 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 33.97 2cm3 s VAL 213 CO 0.10 0.55 0.51 -1.38 0.00 0.00 0.00 175.10 174.88 2cm3 s HIS 214 N -0.10 -0.42 0.00 5.22 -3.43 -0.18 -1.56 115.29 114.82 2cm3 s HIS 214 Ca -0.01 0.57 0.00 0.00 -0.80 0.00 0.00 55.06 54.81 2cm3 s HIS 214 Cb -0.14 0.30 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 2cm3 s HIS 214 CO 0.03 -0.58 0.00 0.00 -2.00 0.00 0.00 174.74 172.19 2cm3 n SER 216 N 0.00 1.85 0.07 0.00 2.88 -1.26 -2.36 113.62 114.80 2cm3 n SER 216 Ca 0.00 0.50 0.11 0.00 -1.33 0.00 0.00 58.87 58.15 2cm3 n SER 216 Cb 0.00 -0.90 -0.03 0.00 -0.75 0.00 0.00 64.21 62.53 2cm3 n SER 216 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cm3 n ALA 217 N -3.65 2.66 -2.01 -1.46 0.00 -1.26 -0.96 120.51 113.84 2cm3 n ALA 217 Ca -0.22 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2cm3 n ALA 217 Cb 0.51 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2cm3 n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cm3 n GLY 218 N 1.22 0.47 0.00 0.00 0.00 -1.24 -4.06 105.19 101.58 2cm3 n GLY 218 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2cm3 n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2cm3 n ILE 219 N -3.75 0.00 0.00 -0.61 -5.35 -1.26 -4.44 119.36 103.94 2cm3 n ILE 219 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2cm3 n ILE 219 Cb 0.49 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 2cm3 n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cm3 n GLY 220 N 0.99 0.84 0.12 3.28 0.00 -1.26 -0.45 105.19 108.70 2cm3 n GLY 220 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2cm3 n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2cm3 h ARG 221 N 0.00 0.30 -0.72 1.61 3.08 -1.95 -1.94 114.38 114.77 2cm3 h ARG 221 Ca 0.00 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.11 2cm3 h ARG 221 Cb 0.00 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 29.92 2cm3 h ARG 221 CO 0.00 0.25 0.37 0.77 -1.07 0.00 0.00 179.97 180.29 2cm3 h SER 222 N 0.27 0.50 -0.61 7.04 0.02 -1.88 -0.39 113.55 118.49 2cm3 h SER 222 Ca 0.08 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2cm3 h SER 222 Cb 0.02 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2cm3 h SER 222 CO -0.01 0.29 0.25 1.23 -1.14 0.00 0.00 176.83 177.45 2cm3 h GLY 223 N 0.63 1.01 0.98 -3.77 0.00 -1.20 -2.31 103.07 98.42 2cm3 h GLY 223 Ca 0.35 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 2cm3 h GLY 223 CO -0.26 0.50 0.04 -0.84 0.00 0.00 0.00 176.54 175.98 2cm3 h THR 224 N 0.93 1.26 -0.05 4.70 2.02 -0.32 0.12 112.91 121.56 2cm3 h THR 224 Ca 0.22 -0.98 0.03 0.00 0.77 0.00 0.00 66.41 66.44 2cm3 h THR 224 Cb 0.18 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2cm3 h THR 224 CO -0.02 0.34 -0.14 0.15 0.37 0.00 0.00 175.52 176.22 2cm3 h PHE 225 N 0.67 -0.36 -0.27 3.16 3.57 -1.02 0.18 116.94 122.87 2cm3 h PHE 225 Ca 0.14 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 2cm3 h PHE 225 Cb 0.44 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 2cm3 h PHE 225 CO 0.03 -0.21 -0.35 0.00 -2.23 0.00 0.00 178.31 175.55 2cm3 h LEU 227 N 0.45 0.26 0.05 0.00 5.85 -0.61 0.16 115.31 121.47 2cm3 h LEU 227 Ca 0.03 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2cm3 h LEU 227 Cb 0.94 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.94 2cm3 h LEU 227 CO 0.08 0.20 -0.03 0.00 -0.34 0.00 0.00 178.44 178.35 2cm3 h ALA 228 N 1.19 -0.07 -0.32 1.25 0.00 -0.96 -1.11 119.26 119.23 2cm3 h ALA 228 Ca 0.15 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2cm3 h ALA 228 Cb 0.06 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2cm3 h ALA 228 CO -0.10 -0.50 0.14 0.22 0.00 0.00 0.00 179.25 179.01 2cm3 h ASP 229 N -0.15 0.19 0.08 0.00 3.58 -1.15 -1.35 116.42 117.62 2cm3 h ASP 229 Ca -0.01 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 2cm3 h ASP 229 Cb 0.13 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2cm3 h ASP 229 CO 0.01 0.15 -0.04 0.74 -2.88 0.00 0.00 179.24 177.22 2cm3 h THR 230 N 0.30 1.02 -0.85 2.25 2.02 -0.86 -1.23 112.91 115.56 2cm3 h THR 230 Ca 0.14 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 67.04 2cm3 h THR 230 Cb 0.08 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 2cm3 h THR 230 CO -0.12 0.08 0.53 0.00 0.37 0.00 0.00 175.52 176.39 2cm3 h LEU 232 N 1.00 0.96 0.02 0.00 3.38 -1.02 0.31 115.31 119.97 2cm3 h LEU 232 Ca 0.36 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 2cm3 h LEU 232 Cb 0.10 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2cm3 h LEU 232 CO -0.15 0.76 -0.01 -0.07 0.09 0.00 0.00 178.44 179.06 2cm3 h LEU 233 N 1.10 -0.02 -0.12 1.67 4.07 0.02 -2.93 115.31 119.10 2cm3 h LEU 233 Ca 0.28 -0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.22 2cm3 h LEU 233 Cb -0.01 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 2cm3 h LEU 233 CO -0.05 0.04 -0.06 -0.07 -1.08 0.00 0.00 178.44 177.22 2cm3 h LEU 234 N -0.08 -0.19 0.00 1.67 3.38 -0.44 0.19 115.31 119.83 2cm3 h LEU 234 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2cm3 h LEU 234 Cb 0.08 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2cm3 h LEU 234 CO 0.00 -0.08 0.05 0.23 0.09 0.00 0.00 178.44 178.74 2cm3 n MET 235 N -5.19 0.00 0.00 1.13 2.81 0.10 -1.30 117.12 114.67 2cm3 n MET 235 Ca -0.04 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 2cm3 n MET 235 Cb 0.12 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 2cm3 n MET 235 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2cm3 n ASP 236 N -1.40 0.01 -0.67 7.83 -0.08 -0.52 -4.66 116.55 117.05 2cm3 n ASP 236 Ca 0.00 -0.44 0.08 0.00 -1.51 0.00 0.00 54.79 52.92 2cm3 n ASP 236 Cb 0.05 0.86 0.10 0.00 2.34 0.00 0.00 41.12 44.47 2cm3 n ASP 236 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2cm3 n LYS 237 N -0.86 1.54 -4.87 -0.67 4.81 0.56 -4.95 118.16 113.72 2cm3 n LYS 237 Ca 0.00 -1.62 -0.33 0.00 -0.87 0.00 0.00 58.31 55.50 2cm3 n LYS 237 Cb 0.00 -1.31 -0.15 0.00 0.02 0.00 0.00 35.03 33.59 2cm3 n LYS 237 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2cm3 s ARG 238 N -1.20 3.29 0.60 1.64 0.52 -0.83 -4.97 118.95 117.99 2cm3 s ARG 238 Ca 0.21 -0.74 0.28 0.00 -0.52 0.00 0.00 55.73 54.97 2cm3 s ARG 238 Cb 0.14 -2.55 1.27 0.00 0.52 0.00 0.00 34.95 34.33 2cm3 s ARG 238 CO 0.20 0.19 1.66 -0.22 0.02 0.00 0.00 175.30 177.14 2cm3 h LYS 239 N 6.75 0.00 -5.26 3.54 3.64 -1.92 -3.35 116.57 119.97 2cm3 h LYS 239 Ca -0.24 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.53 2cm3 h LYS 239 Cb 1.22 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.91 2cm3 h LYS 239 CO 0.54 0.00 -0.50 0.34 -2.27 0.00 0.00 179.45 177.56 2cm3 s ASP 240 N -4.47 6.13 0.00 4.20 3.68 -1.26 -5.00 116.67 119.96 2cm3 s ASP 240 Ca -0.04 0.20 0.18 0.00 2.13 0.00 0.00 52.55 55.03 2cm3 s ASP 240 Cb 0.15 -2.08 1.07 0.00 -1.45 0.00 0.00 42.92 40.62 2cm3 s ASP 240 CO 0.52 0.17 1.68 -0.81 0.13 0.00 0.00 175.17 176.86 2cm3 n PRO 241 N 3.58 0.99 0.00 4.34 -0.04 -1.26 -4.15 135.00 138.47 2cm3 n PRO 241 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2cm3 n PRO 241 Cb 0.52 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2cm3 n PRO 241 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cm3 n SER 242 N -0.78 0.00 0.20 3.54 2.88 -1.26 -4.84 113.62 113.35 2cm3 n SER 242 Ca 0.13 -1.00 0.15 0.00 -1.33 0.00 0.00 58.87 56.82 2cm3 n SER 242 Cb 0.06 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.19 2cm3 n SER 242 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2cm3 h SER 243 N 0.00 0.00 -2.95 -3.46 4.64 -1.97 -3.41 113.55 106.39 2cm3 h SER 243 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 2cm3 h SER 243 Cb 0.94 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.99 2cm3 h SER 243 CO 0.00 0.00 1.06 -0.69 -0.87 0.00 0.00 176.83 176.33 2cm3 s VAL 244 N -3.57 3.88 -0.32 0.95 1.01 -1.26 -4.99 120.40 116.09 2cm3 s VAL 244 Ca 0.01 0.99 -0.07 0.00 0.00 0.00 0.00 61.98 62.91 2cm3 s VAL 244 Cb 0.09 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.58 2cm3 s VAL 244 CO 0.39 -0.40 0.10 -0.62 0.00 0.00 0.00 175.10 174.56 2cm3 s ASP 245 N 3.68 5.24 0.55 3.32 2.15 -1.26 -4.98 116.67 125.37 2cm3 s ASP 245 Ca 0.65 -0.98 0.22 0.00 0.43 0.00 0.00 52.55 52.87 2cm3 s ASP 245 Cb -0.21 -1.87 1.47 0.00 -0.30 0.00 0.00 42.92 42.00 2cm3 s ASP 245 CO 0.27 -0.28 2.14 -0.29 -0.17 0.00 0.00 175.17 176.84 2cm3 h ILE 246 N 6.05 0.77 0.11 4.11 2.10 -1.98 -0.15 117.51 128.53 2cm3 h ILE 246 Ca -0.26 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.67 2cm3 h ILE 246 Cb 1.10 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 2cm3 h ILE 246 CO 0.60 0.00 -0.05 0.50 -1.08 0.00 0.00 178.15 178.12 2cm3 h LYS 247 N 0.00 -0.14 -0.74 2.19 3.64 -1.99 0.48 116.57 120.01 2cm3 h LYS 247 Ca 0.05 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2cm3 h LYS 247 Cb 0.24 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 2cm3 h LYS 247 CO -0.00 0.12 0.45 -0.22 -2.27 0.00 0.00 179.45 177.54 2cm3 h LYS 248 N -0.40 0.84 -0.62 1.90 3.64 -1.74 -1.56 116.57 118.63 2cm3 h LYS 248 Ca -0.02 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2cm3 h LYS 248 Cb 0.33 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 2cm3 h LYS 248 CO 0.02 0.56 0.38 0.28 -2.27 0.00 0.00 179.45 178.42 2cm3 h VAL 249 N 0.86 1.18 -0.65 2.00 2.07 -0.84 -1.31 116.25 119.56 2cm3 h VAL 249 Ca 0.31 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2cm3 h VAL 249 Cb 0.08 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 2cm3 h VAL 249 CO -0.14 0.18 0.32 0.25 0.02 0.00 0.00 177.57 178.21 2cm3 h LEU 250 N 0.83 0.84 -0.88 2.57 5.85 -0.29 -0.35 115.31 123.88 2cm3 h LEU 250 Ca 0.22 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2cm3 h LEU 250 Cb -0.04 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 2cm3 h LEU 250 CO -0.04 0.72 0.34 -0.07 -0.34 0.00 0.00 178.44 179.05 2cm3 h LEU 251 N 0.89 1.05 0.00 2.25 3.38 -1.00 0.25 115.31 122.14 2cm3 h LEU 251 Ca 0.22 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2cm3 h LEU 251 Cb 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2cm3 h LEU 251 CO -0.03 0.92 -0.00 -0.08 0.09 0.00 0.00 178.44 179.33 2cm3 h GLU 252 N 1.13 -0.00 -0.65 1.13 4.57 -0.79 -2.10 114.58 117.86 2cm3 h GLU 252 Ca 0.27 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.50 2cm3 h GLU 252 Cb 0.17 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 2cm3 h GLU 252 CO -0.03 0.00 0.43 1.98 -1.18 0.00 0.00 179.01 180.22 2cm3 h MET 253 N -0.01 0.68 0.00 1.92 4.05 -0.37 -1.38 114.93 119.83 2cm3 h MET 253 Ca -0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2cm3 h MET 253 Cb 0.01 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.65 2cm3 h MET 253 CO 0.00 0.45 0.00 0.00 0.23 0.00 0.00 176.91 177.59 2cm3 h ARG 254 N 0.70 0.00 0.00 0.39 3.08 0.17 -1.74 114.38 116.99 2cm3 h ARG 254 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2cm3 h ARG 254 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2cm3 h ARG 254 CO -0.08 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.69 2cm3 h LYS 255 N 0.00 0.00 0.00 0.04 1.57 -0.98 -3.15 116.57 114.05 2cm3 h LYS 255 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 2cm3 h LYS 255 Cb 0.38 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 2cm3 h LYS 255 CO 0.00 0.00 -2.01 1.19 -0.57 0.00 0.00 179.45 178.06 2cm3 n PHE 256 N -2.61 0.00 -3.73 -1.35 3.72 -0.66 -4.96 117.46 107.88 2cm3 n PHE 256 Ca -0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 2cm3 n PHE 256 Cb 0.14 -0.69 -0.12 0.00 -0.94 0.00 0.00 39.48 37.87 2cm3 n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2cm3 s ARG 257 N -2.53 0.29 0.56 -1.08 3.52 -1.19 -4.51 118.95 114.02 2cm3 s ARG 257 Ca -0.07 0.59 -0.18 0.00 -0.13 0.00 0.00 55.73 55.93 2cm3 s ARG 257 Cb 0.06 -0.03 -0.05 0.00 -1.56 0.00 0.00 34.95 33.37 2cm3 s ARG 257 CO 0.65 -0.14 1.10 0.00 -0.81 0.00 0.00 175.30 176.10 2cm3 s MET 258 N 1.08 3.32 -0.26 5.12 0.23 -1.26 -4.12 119.30 123.41 2cm3 s MET 258 Ca -0.08 1.47 0.00 0.00 -1.03 0.00 0.00 55.69 56.05 2cm3 s MET 258 Cb -0.08 -2.01 0.00 0.00 -1.53 0.00 0.00 34.83 31.20 2cm3 s MET 258 CO -0.08 -0.85 0.00 0.41 -2.03 0.00 0.00 175.02 172.47 2cm3 n GLY 259 N -0.21 0.41 3.66 3.16 0.00 -1.26 -4.89 105.19 106.06 2cm3 n GLY 259 Ca 0.11 -0.07 -0.51 0.00 0.00 0.00 0.00 46.02 45.54 2cm3 n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cm3 n LEU 260 N -0.28 2.58 -1.79 0.99 4.77 -1.26 -3.68 117.00 118.34 2cm3 n LEU 260 Ca -0.02 1.06 -0.02 0.00 -0.03 0.00 0.00 56.01 57.00 2cm3 n LEU 260 Cb 0.34 -1.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.15 2cm3 n LEU 260 CO 0.04 -0.48 -0.20 -0.38 -1.33 0.00 0.00 177.39 175.04 2cm3 n ILE 261 N 3.91 -5.90 1.27 -0.08 2.08 0.40 -4.98 119.36 116.07 2cm3 n ILE 261 Ca 0.21 0.84 0.13 0.00 0.56 0.00 0.00 62.75 64.49 2cm3 n ILE 261 Cb 0.22 -4.37 0.38 0.00 -0.75 0.00 0.00 39.64 35.12 2cm3 n ILE 261 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2cm3 n GLN 262 N 0.51 1.89 -3.78 0.38 10.64 -1.24 -4.95 117.38 120.83 2cm3 n GLN 262 Ca -0.12 -1.30 -0.10 0.00 -1.83 0.00 0.00 57.00 53.65 2cm3 n GLN 262 Cb 0.18 -1.47 -0.07 0.00 -0.86 0.00 0.00 30.24 28.03 2cm3 n GLN 262 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2cm3 s THR 263 N -1.95 0.11 0.43 -0.39 -4.23 -1.26 -5.02 115.64 103.33 2cm3 s THR 263 Ca 0.35 -0.91 0.27 0.00 -1.18 0.00 0.00 61.69 60.22 2cm3 s THR 263 Cb 0.20 -1.18 0.29 0.00 1.34 0.00 0.00 72.50 73.16 2cm3 s THR 263 CO 0.32 -0.50 2.08 0.00 -0.54 0.00 0.00 174.62 175.97 2cm3 h ALA 264 N 2.82 1.33 0.20 3.99 0.00 -1.93 -1.41 119.26 124.26 2cm3 h ALA 264 Ca -0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2cm3 h ALA 264 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2cm3 h ALA 264 CO 0.51 0.14 -0.09 -0.44 0.00 0.00 0.00 179.25 179.37 2cm3 h ASP 265 N 0.00 -0.22 -0.68 0.00 3.45 -1.95 0.29 116.42 117.31 2cm3 h ASP 265 Ca -0.00 -0.26 0.14 0.00 0.43 0.00 0.00 57.03 57.34 2cm3 h ASP 265 Cb 0.31 0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 39.09 2cm3 h ASP 265 CO 0.01 0.17 0.46 1.56 -1.57 0.00 0.00 179.24 179.87 2cm3 h GLN 266 N -0.66 0.33 0.23 3.56 4.20 -1.86 0.38 115.11 121.29 2cm3 h GLN 266 Ca -0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2cm3 h GLN 266 Cb 0.47 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2cm3 h GLN 266 CO 0.04 0.22 -0.11 1.25 -0.67 0.00 0.00 178.83 179.56 2cm3 h LEU 267 N 0.34 -0.26 -0.54 1.46 5.85 -0.94 -0.50 115.31 120.71 2cm3 h LEU 267 Ca 0.33 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.88 2cm3 h LEU 267 Cb 0.81 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 2cm3 h LEU 267 CO -0.09 0.14 0.21 -0.09 -0.34 0.00 0.00 178.44 178.28 2cm3 h ARG 268 N -0.71 0.39 -0.63 1.25 2.43 0.46 -1.50 114.38 116.07 2cm3 h ARG 268 Ca -0.03 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2cm3 h ARG 268 Cb 0.49 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 2cm3 h ARG 268 CO 0.05 0.26 0.36 0.35 -1.51 0.00 0.00 179.97 179.48 2cm3 h PHE 269 N 0.40 0.66 -1.00 2.20 3.57 -0.26 -0.16 116.94 122.36 2cm3 h PHE 269 Ca 0.26 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.85 2cm3 h PHE 269 Cb 0.28 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.75 2cm3 h PHE 269 CO -0.15 0.34 0.65 0.77 -2.23 0.00 0.00 178.31 177.68 2cm3 h SER 270 N 0.68 1.04 -0.06 0.41 0.02 -0.11 0.16 113.55 115.68 2cm3 h SER 270 Ca 0.27 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2cm3 h SER 270 Cb 0.12 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 2cm3 h SER 270 CO -0.15 0.66 0.02 1.88 -1.14 0.00 0.00 176.83 178.10 2cm3 h TYR 271 N 1.17 0.10 -0.25 3.45 -1.99 -0.43 -1.80 116.97 117.23 2cm3 h TYR 271 Ca 0.43 -0.01 0.06 0.00 2.00 0.00 0.00 58.73 61.21 2cm3 h TYR 271 Cb 0.16 -0.03 -0.08 0.00 2.00 0.00 0.00 36.73 38.79 2cm3 h TYR 271 CO -0.00 0.26 -0.34 -0.07 -0.00 0.00 0.00 178.16 178.01 2cm3 h LEU 272 N -0.09 -1.08 -0.39 3.88 3.38 0.11 0.17 115.31 121.30 2cm3 h LEU 272 Ca 0.02 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.22 2cm3 h LEU 272 Cb 0.21 0.48 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 2cm3 h LEU 272 CO -0.00 -0.35 0.06 0.00 0.09 0.00 0.00 178.44 178.24 2cm3 h ALA 273 N 0.53 0.40 -0.41 1.53 0.00 -0.66 0.86 119.26 121.51 2cm3 h ALA 273 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2cm3 h ALA 273 Cb 0.55 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2cm3 h ALA 273 CO -0.44 -0.34 0.21 0.28 0.00 0.00 0.00 179.25 178.96 2cm3 h VAL 274 N 0.18 1.16 0.52 0.00 2.07 -0.74 0.54 116.25 119.98 2cm3 h VAL 274 Ca 0.19 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2cm3 h VAL 274 Cb 0.23 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2cm3 h VAL 274 CO -0.26 0.17 -0.25 0.40 0.02 0.00 0.00 177.57 177.65 2cm3 h ILE 275 N 0.52 0.00 0.00 4.57 1.08 -0.49 0.67 117.51 123.86 2cm3 h ILE 275 Ca 0.14 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2cm3 h ILE 275 Cb 0.08 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.83 2cm3 h ILE 275 CO -0.02 0.00 0.11 -0.08 -0.69 0.00 0.00 178.15 177.47 2cm3 h GLU 276 N -0.85 0.00 0.00 2.37 4.57 0.74 -0.82 114.58 120.59 2cm3 h GLU 276 Ca -0.07 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.03 2cm3 h GLU 276 Cb 0.53 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2cm3 h GLU 276 CO 0.12 0.00 -1.81 0.41 -1.18 0.00 0.00 179.01 176.55 2cm3 n GLY 277 N -1.21 -1.11 0.13 1.92 0.00 0.19 -4.06 105.19 101.04 2cm3 n GLY 277 Ca -0.02 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.72 2cm3 n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cm3 n ALA 278 N -2.34 1.54 -0.73 4.61 0.00 0.21 -1.81 120.51 122.00 2cm3 n ALA 278 Ca -0.08 0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 2cm3 n ALA 278 Cb 0.69 -1.36 0.13 0.00 0.00 0.00 0.00 19.45 18.91 2cm3 n ALA 278 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2cm3 n LYS 279 N -2.18 1.98 -2.34 0.00 5.02 -1.23 -4.86 118.16 114.55 2cm3 n LYS 279 Ca 0.02 -2.31 -0.04 0.00 -2.02 0.00 0.00 58.31 53.96 2cm3 n LYS 279 Cb 0.19 -1.91 -0.01 0.00 -0.02 0.00 0.00 35.03 33.28 2cm3 n LYS 279 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2cm3 n PHE 280 N -0.73 -0.00 0.00 2.13 3.01 -0.75 -5.13 117.46 115.99 2cm3 n PHE 280 Ca 0.46 -0.38 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2cm3 n PHE 280 Cb 1.35 0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.83 2cm3 n PHE 280 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28