#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cm2 s HIS 1 N 0.00 1.95 -0.43 1.57 3.76 0.10 -4.97 115.29 117.27 2cm2 s HIS 1 Ca 0.00 -0.99 0.08 0.00 -0.15 0.00 0.00 55.06 54.01 2cm2 s HIS 1 Cb 0.00 -1.28 0.28 0.00 1.11 0.00 0.00 32.58 32.69 2cm2 s HIS 1 CO 0.00 -0.02 0.63 0.39 -0.85 0.00 0.00 174.74 174.90 2cm2 n GLU 2 N -0.72 1.20 -0.34 1.40 1.02 -1.26 -4.71 120.64 117.23 2cm2 n GLU 2 Ca -0.03 -3.58 0.10 0.00 -0.02 0.00 0.00 57.16 53.63 2cm2 n GLU 2 Cb 0.66 -1.55 0.20 0.00 -0.02 0.00 0.00 31.44 30.74 2cm2 n GLU 2 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2cm2 n MET 3 N 0.95 -0.08 0.04 3.49 0.00 -1.26 -0.31 117.12 119.94 2cm2 n MET 3 Ca 0.24 1.49 -0.13 0.00 -0.00 0.00 0.00 57.70 59.30 2cm2 n MET 3 Cb 0.53 -2.29 -0.08 0.00 0.00 0.00 0.00 33.22 31.38 2cm2 n MET 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2cm2 h GLU 4 N 0.00 -0.06 -0.40 2.12 5.08 -1.98 0.12 114.58 119.46 2cm2 h GLU 4 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 2cm2 h GLU 4 Cb 0.94 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2cm2 h GLU 4 CO -0.96 0.19 0.26 0.87 -1.00 0.00 0.00 179.01 178.37 2cm2 h LYS 5 N -0.31 0.53 -0.24 2.33 1.57 -1.69 -1.71 116.57 117.05 2cm2 h LYS 5 Ca -0.01 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2cm2 h LYS 5 Cb 0.28 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2cm2 h LYS 5 CO 0.01 0.36 0.05 1.49 -0.57 0.00 0.00 179.45 180.79 2cm2 h GLU 6 N 0.54 0.14 -0.07 3.15 4.81 -0.61 -1.31 114.58 121.24 2cm2 h GLU 6 Ca 0.15 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2cm2 h GLU 6 Cb -0.05 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 2cm2 h GLU 6 CO -0.03 0.09 -0.29 0.35 -0.73 0.00 0.00 179.01 178.41 2cm2 h PHE 7 N 0.15 -0.78 -0.99 0.92 3.57 -0.39 0.32 116.94 119.72 2cm2 h PHE 7 Ca 0.11 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.70 2cm2 h PHE 7 Cb 0.11 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.14 2cm2 h PHE 7 CO -0.15 -0.37 0.64 0.93 -2.23 0.00 0.00 178.31 177.12 2cm2 h GLU 8 N -0.39 1.13 -0.52 1.11 4.39 -1.07 -0.55 114.58 118.68 2cm2 h GLU 8 Ca 0.08 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 2cm2 h GLU 8 Cb 0.51 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2cm2 h GLU 8 CO -0.29 0.75 0.16 0.37 -1.16 0.00 0.00 179.01 178.84 2cm2 h GLN 9 N 1.17 0.82 -0.72 2.33 4.15 -0.50 0.44 115.11 122.80 2cm2 h GLN 9 Ca 0.43 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.60 2cm2 h GLN 9 Cb 0.15 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 2cm2 h GLN 9 CO -0.17 0.76 0.20 0.82 -1.93 0.00 0.00 178.83 178.50 2cm2 h ILE 10 N 0.72 1.26 0.36 2.39 2.04 -0.24 -1.32 117.51 122.71 2cm2 h ILE 10 Ca 0.17 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 2cm2 h ILE 10 Cb 0.28 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2cm2 h ILE 10 CO -0.00 0.37 -0.17 0.44 0.00 0.00 0.00 178.15 178.78 2cm2 h ASP 11 N 1.08 -0.41 -0.98 1.72 5.19 -0.83 -0.40 116.42 121.80 2cm2 h ASP 11 Ca 0.23 -0.04 0.09 0.00 -0.62 0.00 0.00 57.03 56.68 2cm2 h ASP 11 Cb 0.34 0.10 -0.07 0.00 0.18 0.00 0.00 39.33 39.88 2cm2 h ASP 11 CO -0.00 -0.22 0.62 0.11 -3.12 0.00 0.00 179.24 176.63 2cm2 h LYS 12 N -0.57 1.04 -0.00 3.56 6.56 -0.77 -2.16 116.57 124.22 2cm2 h LYS 12 Ca -0.05 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 2cm2 h LYS 12 Cb 0.42 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 2cm2 h LYS 12 CO 0.08 0.69 -0.25 -1.13 -2.06 0.00 0.00 179.45 176.78 2cm2 n SER 13 N -4.57 0.64 -3.16 0.86 3.41 -0.51 -4.95 113.62 105.34 2cm2 n SER 13 Ca 0.16 -0.52 -0.18 0.00 -0.26 0.00 0.00 58.87 58.07 2cm2 n SER 13 Cb 0.25 0.05 0.07 0.00 -0.26 0.00 0.00 64.21 64.32 2cm2 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cm2 n GLY 14 N 1.37 -0.31 1.39 5.00 0.00 -0.25 -4.94 105.19 107.45 2cm2 n GLY 14 Ca 0.11 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.31 2cm2 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cm2 n SER 15 N -2.65 4.24 -0.35 1.61 7.64 -0.63 -4.64 113.62 118.85 2cm2 n SER 15 Ca -0.12 -2.23 -0.02 0.00 1.01 0.00 0.00 58.87 57.51 2cm2 n SER 15 Cb 0.60 -0.51 0.13 0.00 -1.01 0.00 0.00 64.21 63.41 2cm2 n SER 15 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 2cm2 h TRP 16 N 3.94 1.21 -0.67 1.43 4.06 -1.93 -1.38 115.95 122.62 2cm2 h TRP 16 Ca 0.00 0.01 -0.07 0.00 2.06 0.00 0.00 58.89 60.90 2cm2 h TRP 16 Cb 1.19 -0.41 -0.03 0.00 -1.00 0.00 0.00 29.16 28.92 2cm2 h TRP 16 CO 0.60 0.78 0.15 0.00 -3.56 0.00 0.00 178.44 176.41 2cm2 h ALA 17 N 1.37 0.89 -0.20 1.49 0.00 -1.93 0.39 119.26 121.27 2cm2 h ALA 17 Ca 0.34 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2cm2 h ALA 17 Cb -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2cm2 h ALA 17 CO -0.07 0.62 0.03 0.00 0.00 0.00 0.00 179.25 179.83 2cm2 h ALA 18 N 1.06 0.27 -0.35 0.00 0.00 -1.82 0.06 119.26 118.48 2cm2 h ALA 18 Ca 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2cm2 h ALA 18 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2cm2 h ALA 18 CO 0.01 -0.05 0.23 0.82 0.00 0.00 0.00 179.25 180.25 2cm2 h ILE 19 N 0.13 1.08 -0.71 0.00 1.08 -1.15 -1.64 117.51 116.31 2cm2 h ILE 19 Ca 0.06 -0.16 -0.05 0.00 -0.39 0.00 0.00 64.86 64.32 2cm2 h ILE 19 Cb 0.33 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 2cm2 h ILE 19 CO 0.00 0.09 0.26 0.22 -0.69 0.00 0.00 178.15 178.03 2cm2 h TYR 20 N 0.47 1.09 -0.20 1.37 3.20 -0.83 -2.33 116.97 119.74 2cm2 h TYR 20 Ca 0.13 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 2cm2 h TYR 20 Cb -0.05 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.88 2cm2 h TYR 20 CO -0.05 0.84 -0.16 0.37 -1.64 0.00 0.00 178.16 177.51 2cm2 h GLN 21 N 1.04 0.33 -0.66 1.82 4.15 -0.54 -1.82 115.11 119.43 2cm2 h GLN 21 Ca 0.24 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.57 2cm2 h GLN 21 Cb 0.23 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 2cm2 h GLN 21 CO -0.02 0.49 0.42 -0.44 -1.93 0.00 0.00 178.83 177.36 2cm2 h ASP 22 N 0.31 0.77 -0.42 -0.69 3.45 -0.76 -0.71 116.42 118.36 2cm2 h ASP 22 Ca 0.06 -0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.45 2cm2 h ASP 22 Cb 0.47 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 2cm2 h ASP 22 CO 0.03 0.57 0.15 0.40 -1.57 0.00 0.00 179.24 178.82 2cm2 h ILE 23 N 0.89 1.21 -0.53 0.35 2.04 -1.18 -0.06 117.51 120.23 2cm2 h ILE 23 Ca 0.24 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 2cm2 h ILE 23 Cb -0.08 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2cm2 h ILE 23 CO -0.05 0.24 0.24 0.03 0.00 0.00 0.00 178.15 178.61 2cm2 h ARG 24 N 0.54 0.75 0.02 2.37 3.08 -1.00 -1.03 114.38 119.11 2cm2 h ARG 24 Ca 0.14 -0.09 -0.22 0.00 0.07 0.00 0.00 59.98 59.87 2cm2 h ARG 24 Cb 0.23 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2cm2 h ARG 24 CO -0.01 0.59 -0.97 0.45 -1.07 0.00 0.00 179.97 178.97 2cm2 h HIS 25 N 0.75 0.47 0.00 3.04 3.86 -0.82 -3.23 115.15 119.22 2cm2 h HIS 25 Ca 0.18 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2cm2 h HIS 25 Cb 0.10 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2cm2 h HIS 25 CO 0.01 1.10 -0.14 0.39 0.86 0.00 0.00 177.93 180.16 2cm2 n GLU 26 N -3.67 0.10 -1.85 2.45 1.02 -0.06 -4.89 120.64 113.73 2cm2 n GLU 26 Ca -0.06 0.06 -0.40 0.00 -0.02 0.00 0.00 57.16 56.75 2cm2 n GLU 26 Cb 0.86 -1.60 0.01 0.00 -0.02 0.00 0.00 31.44 30.69 2cm2 n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cm2 s ALA 27 N -3.04 3.31 0.58 0.62 0.00 -0.41 -4.98 121.76 117.83 2cm2 s ALA 27 Ca 0.12 1.44 -0.13 0.00 0.00 0.00 0.00 51.96 53.38 2cm2 s ALA 27 Cb 0.16 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2cm2 s ALA 27 CO 0.59 -1.09 1.02 -1.54 0.00 0.00 0.00 175.76 174.74 2cm2 s SER 28 N -0.49 6.33 0.04 0.00 1.04 -1.26 -5.05 113.70 114.30 2cm2 s SER 28 Ca 0.59 1.50 0.06 0.00 0.48 0.00 0.00 55.95 58.58 2cm2 s SER 28 Cb -0.43 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.18 2cm2 s SER 28 CO 0.56 -0.80 -0.17 -0.62 0.98 0.00 0.00 173.24 173.19 2cm2 s ASP 29 N -3.68 2.02 0.05 7.02 2.15 -1.26 -4.89 116.67 118.09 2cm2 s ASP 29 Ca 0.57 -0.47 0.01 0.00 0.43 0.00 0.00 52.55 53.09 2cm2 s ASP 29 Cb -0.11 -0.16 -0.03 0.00 -0.30 0.00 0.00 42.92 42.32 2cm2 s ASP 29 CO 0.45 0.10 -0.05 -0.36 -0.17 0.00 0.00 175.17 175.14 2cm2 s PHE 30 N -0.78 0.59 0.58 -5.34 0.08 -1.26 -5.14 117.98 106.70 2cm2 s PHE 30 Ca 0.05 -0.78 -0.21 0.00 0.12 0.00 0.00 56.93 56.10 2cm2 s PHE 30 Cb -0.08 -0.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.95 2cm2 s PHE 30 CO 0.01 -0.21 1.35 -2.30 -0.10 0.00 0.00 175.22 173.97 2cm2 n PRO 31 N 0.70 1.56 -2.62 0.24 -0.02 -1.26 -4.84 135.00 128.75 2cm2 n PRO 31 Ca -0.18 0.58 -0.11 0.00 -2.02 0.00 0.00 63.50 61.77 2cm2 n PRO 31 Cb 0.58 -2.58 0.03 0.00 -0.02 0.00 0.00 33.50 31.51 2cm2 n PRO 31 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cm2 h ARG 33 N 2.74 0.83 -0.33 0.00 -0.00 -1.92 -2.78 114.38 112.93 2cm2 h ARG 33 Ca -0.00 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.41 2cm2 h ARG 33 Cb 1.20 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 30.97 2cm2 h ARG 33 CO 0.49 0.55 0.12 0.28 0.00 0.00 0.00 179.97 181.41 2cm2 h VAL 34 N 0.86 1.19 -0.12 2.04 2.07 -1.92 -2.51 116.25 117.85 2cm2 h VAL 34 Ca 0.26 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.22 2cm2 h VAL 34 Cb -0.03 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2cm2 h VAL 34 CO -0.09 0.21 0.09 0.00 0.02 0.00 0.00 177.57 177.81 2cm2 h ALA 35 N 0.96 2.00 -0.06 1.67 0.00 -1.80 -2.20 119.26 119.84 2cm2 h ALA 35 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2cm2 h ALA 35 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2cm2 h ALA 35 CO -0.01 -0.16 0.00 1.63 0.00 0.00 0.00 179.25 180.72 2cm2 n LYS 36 N -4.32 1.84 -1.96 0.00 4.76 -0.97 -4.64 118.16 112.86 2cm2 n LYS 36 Ca -0.00 -1.23 -0.41 0.00 -2.87 0.00 0.00 58.31 53.81 2cm2 n LYS 36 Cb 0.21 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.93 2cm2 n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cm2 s LEU 37 N -1.92 4.34 0.29 -0.35 1.43 -0.83 -4.90 118.68 116.75 2cm2 s LEU 37 Ca 0.35 2.84 0.04 0.00 -1.03 0.00 0.00 54.13 56.34 2cm2 s LEU 37 Cb 0.20 -3.70 0.71 0.00 0.03 0.00 0.00 46.19 43.43 2cm2 s LEU 37 CO 0.32 -0.74 1.72 -0.65 0.23 0.00 0.00 176.35 177.22 2cm2 h PRO 38 N 3.09 0.49 0.00 1.29 0.11 -1.91 0.55 132.00 135.61 2cm2 h PRO 38 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2cm2 h PRO 38 Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2cm2 h PRO 38 CO 0.64 0.32 0.00 1.57 -0.21 0.00 0.00 178.00 180.33 2cm2 h LYS 39 N 0.50 0.00 -0.12 1.05 2.10 -1.95 -2.51 116.57 115.65 2cm2 h LYS 39 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 2cm2 h LYS 39 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 2cm2 h LYS 39 CO -0.47 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.07 2cm2 n ASN 40 N -2.66 2.99 -0.23 7.07 5.03 0.18 -4.55 115.26 123.09 2cm2 n ASN 40 Ca -0.01 -1.94 0.01 0.00 0.87 0.00 0.00 54.58 53.50 2cm2 n ASN 40 Cb 0.11 -0.06 0.12 0.00 -1.02 0.00 0.00 39.78 38.93 2cm2 n ASN 40 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2cm2 h LYS 41 N 4.33 0.54 0.00 3.52 3.64 -1.43 0.11 116.57 127.28 2cm2 h LYS 41 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2cm2 h LYS 41 Cb 0.93 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2cm2 h LYS 41 CO 0.00 0.36 0.00 0.27 -2.27 0.00 0.00 179.45 177.81 2cm2 n ASN 42 N -4.89 0.00 -0.93 4.20 0.23 -1.26 -2.54 115.26 110.07 2cm2 n ASN 42 Ca 0.10 -1.07 0.10 0.00 -0.53 0.00 0.00 54.58 53.18 2cm2 n ASN 42 Cb 0.26 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.10 2cm2 n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2cm2 n ARG 43 N -0.86 2.11 -4.67 -3.83 1.74 0.02 -4.91 116.66 106.27 2cm2 n ARG 43 Ca 0.14 -1.94 -0.33 0.00 -0.77 0.00 0.00 57.85 54.95 2cm2 n ARG 43 Cb 0.07 -1.43 -0.15 0.00 -1.02 0.00 0.00 32.46 29.93 2cm2 n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2cm2 s ASN 44 N -1.56 3.84 0.13 0.55 0.01 -1.05 -4.42 114.94 112.43 2cm2 s ASN 44 Ca 0.29 -0.40 -0.12 0.00 -0.71 0.00 0.00 52.86 51.92 2cm2 s ASN 44 Cb 0.19 -1.59 -0.08 0.00 0.41 0.00 0.00 41.25 40.18 2cm2 s ASN 44 CO 0.27 0.13 1.42 -0.09 -1.51 0.00 0.00 177.10 177.32 2cm2 h ARG 45 N 7.00 0.88 -4.69 -0.60 2.43 -1.89 -3.44 114.38 114.07 2cm2 h ARG 45 Ca -0.29 -0.52 -0.52 0.00 -0.81 0.00 0.00 59.98 57.85 2cm2 h ARG 45 Cb 1.20 0.05 -0.33 0.00 -0.42 0.00 0.00 29.97 30.47 2cm2 h ARG 45 CO 0.56 1.16 -0.82 0.71 -1.51 0.00 0.00 179.97 180.07 2cm2 s TYR 46 N -4.23 1.48 0.49 2.20 2.02 -1.26 -5.04 117.35 113.01 2cm2 s TYR 46 Ca -0.11 -0.51 0.30 0.00 -0.37 0.00 0.00 57.07 56.38 2cm2 s TYR 46 Cb 0.10 -1.06 1.67 0.00 -0.40 0.00 0.00 41.96 42.27 2cm2 s TYR 46 CO 0.88 -0.24 2.16 0.00 -1.57 0.00 0.00 175.55 176.78 2cm2 h ARG 47 N 6.79 0.00 -0.55 -0.62 2.47 -1.96 -2.72 114.38 117.79 2cm2 h ARG 47 Ca -0.31 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 2cm2 h ARG 47 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 2cm2 h ARG 47 CO 0.48 0.06 0.00 -0.40 0.56 0.00 0.00 179.97 180.67 2cm2 n ASP 48 N -3.65 4.38 -3.85 7.04 3.85 -1.26 -4.78 116.55 118.28 2cm2 n ASP 48 Ca -0.02 -2.47 -0.30 0.00 -0.71 0.00 0.00 54.79 51.29 2cm2 n ASP 48 Cb 0.17 -0.52 -0.15 0.00 -1.35 0.00 0.00 41.12 39.26 2cm2 n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2cm2 s VAL 49 N -1.87 1.29 0.07 2.12 1.01 -1.03 -5.06 120.40 116.93 2cm2 s VAL 49 Ca 0.46 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 61.03 2cm2 s VAL 49 Cb 0.30 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2cm2 s VAL 49 CO 0.21 -0.45 -0.10 -0.44 0.00 0.00 0.00 175.10 174.32 2cm2 s SER 50 N 1.44 1.27 0.25 3.32 0.01 -1.26 -4.68 113.70 114.05 2cm2 s SER 50 Ca 0.04 -0.70 -0.23 0.00 1.31 0.00 0.00 55.95 56.38 2cm2 s SER 50 Cb -0.18 0.01 -0.09 0.00 0.21 0.00 0.00 66.02 65.97 2cm2 s SER 50 CO -0.15 -0.22 0.82 -2.16 0.41 0.00 0.00 173.24 171.94 2cm2 s PRO 51 N -2.24 4.45 0.50 12.44 0.04 -1.26 -4.50 135.00 144.42 2cm2 s PRO 51 Ca -0.01 1.10 -0.22 0.00 0.04 0.00 0.00 61.00 61.92 2cm2 s PRO 51 Cb -0.06 -2.93 -0.07 0.00 0.04 0.00 0.00 34.50 31.48 2cm2 s PRO 51 CO 0.00 0.39 1.18 -0.06 0.04 0.00 0.00 177.00 178.55 2cm2 s PHE 52 N -1.48 2.74 0.32 0.56 0.08 -1.26 -4.66 117.98 114.29 2cm2 s PHE 52 Ca 0.44 1.52 0.01 0.00 0.12 0.00 0.00 56.93 59.02 2cm2 s PHE 52 Cb -0.19 -3.40 0.55 0.00 -0.57 0.00 0.00 43.02 39.41 2cm2 s PHE 52 CO 0.23 -1.69 1.98 -0.44 -0.10 0.00 0.00 175.22 175.20 2cm2 h ASP 53 N 1.71 0.84 0.35 1.36 3.32 -1.38 -1.80 116.42 120.81 2cm2 h ASP 53 Ca -0.50 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.47 2cm2 h ASP 53 Cb 1.26 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2cm2 h ASP 53 CO 0.59 0.59 -0.31 1.12 -1.72 0.00 0.00 179.24 179.51 2cm2 h HIS 54 N 0.98 0.00 -0.08 4.55 2.07 -1.92 -3.23 115.15 117.53 2cm2 h HIS 54 Ca 0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.81 2cm2 h HIS 54 Cb -0.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.94 2cm2 h HIS 54 CO -0.00 0.31 0.00 -1.13 -3.07 0.00 0.00 177.93 174.04 2cm2 n SER 55 N -4.09 1.88 -4.76 3.10 3.41 -1.15 -5.04 113.62 106.96 2cm2 n SER 55 Ca -0.02 -1.54 -0.36 0.00 -0.26 0.00 0.00 58.87 56.69 2cm2 n SER 55 Cb 0.36 -0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.28 2cm2 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cm2 s ARG 56 N -0.69 3.23 -0.02 4.33 1.70 -0.69 -0.49 118.95 126.32 2cm2 s ARG 56 Ca 0.09 1.81 -0.25 0.00 -0.47 0.00 0.00 55.73 56.90 2cm2 s ARG 56 Cb 0.05 -2.07 -0.04 0.00 -0.57 0.00 0.00 34.95 32.33 2cm2 s ARG 56 CO 0.08 -1.00 0.78 0.42 -1.08 0.00 0.00 175.30 174.50 2cm2 s ILE 57 N -1.60 4.93 -0.20 4.99 -1.09 -0.60 -4.78 121.20 122.85 2cm2 s ILE 57 Ca 0.73 1.63 -0.09 0.00 -2.23 0.00 0.00 60.65 60.70 2cm2 s ILE 57 Cb -0.29 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 36.42 2cm2 s ILE 57 CO 0.33 0.26 0.10 -0.54 -1.23 0.00 0.00 174.94 173.86 2cm2 s LYS 58 N 0.63 4.06 0.37 2.79 1.02 -1.26 -4.26 119.74 123.10 2cm2 s LYS 58 Ca 0.41 -0.29 -0.25 0.00 0.02 0.00 0.00 55.97 55.86 2cm2 s LYS 58 Cb -0.19 -3.35 -0.09 0.00 -0.52 0.00 0.00 37.83 33.68 2cm2 s LYS 58 CO 0.22 0.24 1.09 -0.51 -0.92 0.00 0.00 175.35 175.47 2cm2 s LEU 59 N 0.50 4.24 -1.38 3.17 1.43 0.29 -4.92 118.68 122.01 2cm2 s LEU 59 Ca 0.06 2.18 -0.13 0.00 -1.03 0.00 0.00 54.13 55.20 2cm2 s LEU 59 Cb -0.12 -4.02 0.08 0.00 0.03 0.00 0.00 46.19 42.16 2cm2 s LEU 59 CO 0.00 -0.47 2.04 1.41 0.23 0.00 0.00 176.35 179.56 2cm2 n HIS 60 N 0.24 3.57 -3.79 0.29 8.25 -1.26 -4.56 115.22 117.95 2cm2 n HIS 60 Ca 0.03 -2.93 -0.13 0.00 -0.26 0.00 0.00 57.72 54.44 2cm2 n HIS 60 Cb 0.48 -2.39 -0.09 0.00 1.12 0.00 0.00 29.99 29.11 2cm2 n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2cm2 s GLN 61 N 2.47 0.56 0.06 -0.41 -2.07 -1.26 -5.07 119.66 113.95 2cm2 s GLN 61 Ca 0.46 -0.16 -0.15 0.00 -1.82 0.00 0.00 55.36 53.69 2cm2 s GLN 61 Cb 0.11 0.25 -0.22 0.00 -1.09 0.00 0.00 33.01 32.06 2cm2 s GLN 61 CO -0.04 -0.14 1.19 0.93 -1.32 0.00 0.00 175.29 175.91 2cm2 h GLU 62 N 4.28 0.66 0.19 9.60 4.39 -2.02 -3.36 114.58 128.33 2cm2 h GLU 62 Ca -0.29 -0.67 -0.01 0.00 0.34 0.00 0.00 59.36 58.73 2cm2 h GLU 62 Cb 1.18 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 30.01 2cm2 h GLU 62 CO 0.39 1.27 -0.15 0.22 -1.16 0.00 0.00 179.01 179.57 2cm2 h ASP 63 N 0.32 -0.41 -2.49 1.42 -0.00 -1.98 -3.43 116.42 109.84 2cm2 h ASP 63 Ca -0.10 0.03 -0.28 0.00 -0.00 0.00 0.00 57.03 56.68 2cm2 h ASP 63 Cb 1.56 0.13 -0.34 0.00 -0.00 0.00 0.00 39.33 40.68 2cm2 h ASP 63 CO 0.18 -0.22 -0.59 0.21 -0.00 0.00 0.00 179.24 178.82 2cm2 s ASN 64 N -2.82 1.05 -0.00 2.28 3.84 -1.26 -5.03 114.94 113.00 2cm2 s ASN 64 Ca -0.06 -0.03 0.10 0.00 0.21 0.00 0.00 52.86 53.09 2cm2 s ASN 64 Cb 0.01 0.53 0.31 0.00 -0.55 0.00 0.00 41.25 41.55 2cm2 s ASN 64 CO 0.18 -0.31 1.25 -0.90 -2.79 0.00 0.00 177.10 174.53 2cm2 n ASP 65 N 5.33 1.89 -4.73 -4.21 5.68 -1.26 -4.79 116.55 114.46 2cm2 n ASP 65 Ca -0.05 -2.02 -0.40 0.00 -0.50 0.00 0.00 54.79 51.82 2cm2 n ASP 65 Cb 0.50 -0.24 -0.05 0.00 -1.14 0.00 0.00 41.12 40.19 2cm2 n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2cm2 s TYR 66 N -1.55 3.66 -0.04 2.11 5.04 -1.26 -0.54 117.35 124.76 2cm2 s TYR 66 Ca 0.23 1.35 -0.06 0.00 -2.44 0.00 0.00 57.07 56.14 2cm2 s TYR 66 Cb 0.12 -2.80 0.01 0.00 0.35 0.00 0.00 41.96 39.65 2cm2 s TYR 66 CO 0.15 0.19 0.15 -1.50 -1.34 0.00 0.00 175.55 173.21 2cm2 s ILE 67 N 0.35 0.03 -1.17 3.14 2.07 -1.26 -4.92 121.20 119.43 2cm2 s ILE 67 Ca 0.38 -0.23 -0.19 0.00 -1.41 0.00 0.00 60.65 59.19 2cm2 s ILE 67 Cb -0.19 -0.30 0.08 0.00 0.13 0.00 0.00 42.46 42.18 2cm2 s ILE 67 CO 0.20 -0.13 1.57 0.21 -1.91 0.00 0.00 174.94 174.89 2cm2 s ASN 68 N -0.40 6.73 -0.03 4.50 3.84 -1.26 -4.65 114.94 123.67 2cm2 s ASN 68 Ca -0.05 -2.13 -0.21 0.00 0.21 0.00 0.00 52.86 50.68 2cm2 s ASN 68 Cb -0.03 -2.55 0.04 0.00 -0.55 0.00 0.00 41.25 38.16 2cm2 s ASN 68 CO 0.01 -1.24 0.46 0.00 -2.79 0.00 0.00 177.10 173.54 2cm2 s ALA 69 N 4.14 -1.18 -0.00 1.71 0.00 -1.26 -2.92 121.76 122.25 2cm2 s ALA 69 Ca 0.49 0.71 0.02 0.00 0.00 0.00 0.00 51.96 53.18 2cm2 s ALA 69 Cb 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 2cm2 s ALA 69 CO -0.00 -0.31 -0.05 -1.12 0.00 0.00 0.00 175.76 174.28 2cm2 s SER 70 N -1.31 0.61 -0.29 0.00 0.01 -0.06 -1.56 113.70 111.10 2cm2 s SER 70 Ca -0.12 -0.13 -0.16 0.00 1.31 0.00 0.00 55.95 56.85 2cm2 s SER 70 Cb -0.03 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 2cm2 s SER 70 CO 0.06 0.04 0.42 -0.22 0.41 0.00 0.00 173.24 173.95 2cm2 s LEU 71 N -0.24 4.15 -0.33 2.44 2.96 0.36 -1.15 118.68 126.87 2cm2 s LEU 71 Ca 0.01 0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 54.01 2cm2 s LEU 71 Cb -0.03 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.18 2cm2 s LEU 71 CO -0.00 -0.27 0.18 -0.63 -1.32 0.00 0.00 176.35 174.31 2cm2 s ILE 72 N 2.15 4.79 -0.29 6.68 1.09 0.30 -4.86 121.20 131.06 2cm2 s ILE 72 Ca 0.16 -0.41 -0.03 0.00 -1.10 0.00 0.00 60.65 59.26 2cm2 s ILE 72 Cb -0.16 -3.48 0.03 0.00 -1.06 0.00 0.00 42.46 37.80 2cm2 s ILE 72 CO 0.11 0.01 0.01 -0.75 -0.10 0.00 0.00 174.94 174.22 2cm2 s LYS 73 N 1.64 2.70 -0.52 2.79 2.20 -1.26 -1.21 119.74 126.07 2cm2 s LYS 73 Ca 0.05 -1.09 -0.17 0.00 -0.36 0.00 0.00 55.97 54.40 2cm2 s LYS 73 Cb -0.17 -3.21 0.10 0.00 -1.51 0.00 0.00 37.83 33.04 2cm2 s LYS 73 CO 0.07 -0.53 0.53 -1.64 -0.36 0.00 0.00 175.35 173.42 2cm2 s MET 74 N 1.35 3.02 0.06 4.03 -1.94 0.13 -4.97 119.30 120.97 2cm2 s MET 74 Ca -0.02 -1.40 -0.38 0.00 -1.71 0.00 0.00 55.69 52.19 2cm2 s MET 74 Cb -0.18 -4.21 -0.21 0.00 2.01 0.00 0.00 34.83 32.24 2cm2 s MET 74 CO -0.01 -1.26 1.57 0.93 -0.01 0.00 0.00 175.02 176.24 2cm2 h GLU 75 N 8.92 -1.27 -0.67 2.03 4.39 -1.97 0.02 114.58 126.03 2cm2 h GLU 75 Ca -0.29 0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2cm2 h GLU 75 Cb 1.10 0.29 -0.03 0.00 -0.10 0.00 0.00 28.75 30.01 2cm2 h GLU 75 CO 0.99 -0.85 0.42 1.49 -1.16 0.00 0.00 179.01 179.90 2cm2 h GLU 76 N -1.32 0.90 0.00 2.33 4.81 -1.97 -2.11 114.58 117.22 2cm2 h GLU 76 Ca -0.13 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2cm2 h GLU 76 Cb 1.02 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2cm2 h GLU 76 CO 0.20 0.62 0.00 0.00 -0.73 0.00 0.00 179.01 179.10 2cm2 h ALA 77 N 1.22 1.00 -5.69 2.92 0.00 -1.92 -3.47 119.26 113.31 2cm2 h ALA 77 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.81 2cm2 h ALA 77 Cb -0.06 0.00 0.16 0.00 0.00 0.00 0.00 17.79 17.89 2cm2 h ALA 77 CO -0.05 0.00 -0.75 0.94 0.00 0.00 0.00 179.25 179.39 2cm2 n GLN 78 N -2.52 -6.86 -3.84 0.00 -0.06 -0.06 -4.94 117.38 99.11 2cm2 n GLN 78 Ca 0.02 0.84 -0.12 0.00 -2.00 0.00 0.00 57.00 55.75 2cm2 n GLN 78 Cb 0.30 -5.86 -0.12 0.00 -4.06 0.00 0.00 30.24 20.50 2cm2 n GLN 78 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 2cm2 s ARG 79 N -5.55 0.21 0.12 3.69 3.52 -0.91 -4.96 118.95 115.07 2cm2 s ARG 79 Ca 0.11 0.08 0.10 0.00 -0.13 0.00 0.00 55.73 55.89 2cm2 s ARG 79 Cb -0.05 0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.40 2cm2 s ARG 79 CO 0.73 -0.03 -0.25 -1.12 -0.81 0.00 0.00 175.30 173.82 2cm2 s SER 80 N -0.18 3.07 0.01 -2.12 0.01 -1.26 -0.69 113.70 112.53 2cm2 s SER 80 Ca -0.03 -0.72 -0.04 0.00 1.31 0.00 0.00 55.95 56.47 2cm2 s SER 80 Cb -0.02 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 2cm2 s SER 80 CO 0.00 0.15 0.07 -0.31 0.41 0.00 0.00 173.24 173.56 2cm2 s TYR 81 N -1.08 0.11 -0.23 2.43 1.51 -0.35 -4.28 117.35 115.46 2cm2 s TYR 81 Ca 0.12 -0.25 -0.06 0.00 -1.01 0.00 0.00 57.07 55.87 2cm2 s TYR 81 Cb -0.10 -0.10 -0.02 0.00 -0.11 0.00 0.00 41.96 41.63 2cm2 s TYR 81 CO 0.05 -0.23 0.03 0.42 -1.11 0.00 0.00 175.55 174.72 2cm2 s ILE 82 N -1.27 4.03 -0.15 2.71 1.01 0.11 -0.54 121.20 127.09 2cm2 s ILE 82 Ca -0.14 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 2cm2 s ILE 82 Cb -0.08 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 2cm2 s ILE 82 CO 0.00 0.38 -0.00 -0.76 0.00 0.00 0.00 174.94 174.57 2cm2 s LEU 83 N 1.41 3.47 0.11 2.97 1.02 -0.30 -0.16 118.68 127.19 2cm2 s LEU 83 Ca 0.05 -0.03 -0.04 0.00 0.02 0.00 0.00 54.13 54.13 2cm2 s LEU 83 Cb -0.15 -1.84 -0.03 0.00 0.02 0.00 0.00 46.19 44.19 2cm2 s LEU 83 CO 0.02 0.20 0.11 0.28 0.02 0.00 0.00 176.35 176.97 2cm2 s THR 84 N 0.20 0.13 0.75 5.49 -1.32 -0.52 -0.88 115.64 119.50 2cm2 s THR 84 Ca 0.00 -1.63 -0.11 0.00 -1.21 0.00 0.00 61.69 58.74 2cm2 s THR 84 Cb -0.13 -1.73 0.04 0.00 -1.51 0.00 0.00 72.50 69.17 2cm2 s THR 84 CO 0.02 -0.61 1.09 0.00 -2.21 0.00 0.00 174.62 172.92 2cm2 s GLN 85 N -3.96 2.44 0.21 7.08 -2.07 -1.15 -3.81 119.66 118.40 2cm2 s GLN 85 Ca 0.14 0.62 -0.31 0.00 -1.82 0.00 0.00 55.36 54.00 2cm2 s GLN 85 Cb 0.06 -1.96 -0.10 0.00 -1.09 0.00 0.00 33.01 29.92 2cm2 s GLN 85 CO -0.04 -1.36 1.50 0.20 -1.32 0.00 0.00 175.29 174.26 2cm2 s GLY 86 N -4.04 1.99 0.35 2.60 0.00 0.73 -4.83 107.32 104.13 2cm2 s GLY 86 Ca 0.60 1.35 -0.26 0.00 0.00 0.00 0.00 44.72 46.40 2cm2 s GLY 86 CO 0.54 2.44 1.03 -1.05 0.00 0.00 0.00 173.10 176.05 2cm2 n PRO 87 N 3.06 1.42 -2.73 2.90 -0.02 -1.26 -4.74 135.00 133.63 2cm2 n PRO 87 Ca 0.10 0.50 -0.23 0.00 -2.02 0.00 0.00 63.50 61.85 2cm2 n PRO 87 Cb 0.39 -1.97 0.03 0.00 -0.02 0.00 0.00 33.50 31.93 2cm2 n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2cm2 s LEU 88 N -0.07 3.39 0.53 2.45 1.43 -1.26 -0.90 118.68 124.25 2cm2 s LEU 88 Ca 0.60 0.23 0.26 0.00 -1.03 0.00 0.00 54.13 54.19 2cm2 s LEU 88 Cb -0.62 -3.08 1.40 0.00 0.03 0.00 0.00 46.19 43.92 2cm2 s LEU 88 CO 0.59 -0.98 1.97 -0.65 0.23 0.00 0.00 176.35 177.51 2cm2 h PRO 89 N 0.14 0.02 -0.03 1.29 0.11 -1.96 -1.56 132.00 130.01 2cm2 h PRO 89 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2cm2 h PRO 89 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2cm2 h PRO 89 CO 0.56 0.01 -0.13 0.27 -0.21 0.00 0.00 178.00 178.50 2cm2 n ASN 90 N -4.36 2.66 -0.10 -2.05 6.94 -1.26 -4.43 115.26 112.66 2cm2 n ASN 90 Ca 0.12 -1.84 0.08 0.00 -0.02 0.00 0.00 54.58 52.92 2cm2 n ASN 90 Cb 0.68 0.13 0.11 0.00 -2.36 0.00 0.00 39.78 38.34 2cm2 n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2cm2 n THR 91 N 0.91 1.69 -0.03 5.53 -2.24 -0.59 -4.65 114.28 114.90 2cm2 n THR 91 Ca 0.13 -1.95 -0.12 0.00 -2.27 0.00 0.00 64.05 59.84 2cm2 n THR 91 Cb 0.55 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2cm2 n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cm2 h GLY 93 N 0.88 1.20 1.00 0.00 0.00 -1.91 -2.21 103.07 102.02 2cm2 h GLY 93 Ca 0.01 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.55 2cm2 h GLY 93 CO 0.12 0.70 0.27 0.45 0.00 0.00 0.00 176.54 178.08 2cm2 h HIS 94 N 1.05 0.94 -0.10 5.60 3.86 -1.80 -0.16 115.15 124.53 2cm2 h HIS 94 Ca 0.22 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.39 2cm2 h HIS 94 Cb 0.38 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2cm2 h HIS 94 CO 0.03 0.73 -0.03 0.35 0.86 0.00 0.00 177.93 179.87 2cm2 h PHE 95 N 0.88 -0.06 0.00 2.45 3.04 -0.88 0.74 116.94 123.11 2cm2 h PHE 95 Ca 0.21 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.09 2cm2 h PHE 95 Cb 0.17 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 2cm2 h PHE 95 CO 0.01 -0.05 -0.39 -1.49 -2.02 0.00 0.00 178.31 174.37 2cm2 h TRP 96 N -0.00 0.00 -0.37 0.41 4.06 -1.29 -1.28 115.95 117.47 2cm2 h TRP 96 Ca 0.05 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.97 2cm2 h TRP 96 Cb 0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 2cm2 h TRP 96 CO -0.15 0.39 0.11 1.49 -3.56 0.00 0.00 178.44 176.72 2cm2 h GLU 97 N 0.00 0.58 -0.38 0.49 4.81 -0.44 -0.30 114.58 119.35 2cm2 h GLU 97 Ca -0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2cm2 h GLU 97 Cb 0.86 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2cm2 h GLU 97 CO 0.05 0.61 0.25 1.98 -0.73 0.00 0.00 179.01 181.16 2cm2 h MET 98 N 0.45 0.50 -0.66 1.92 4.05 -0.49 0.11 114.93 120.80 2cm2 h MET 98 Ca 0.12 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.55 2cm2 h MET 98 Cb 0.27 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.91 2cm2 h MET 98 CO -0.00 0.33 0.39 0.28 0.23 0.00 0.00 176.91 178.14 2cm2 h VAL 99 N 0.51 1.02 0.18 -5.77 2.07 -0.98 0.30 116.25 113.58 2cm2 h VAL 99 Ca 0.14 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2cm2 h VAL 99 Cb -0.05 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2cm2 h VAL 99 CO -0.03 0.13 -0.09 -0.25 0.02 0.00 0.00 177.57 177.36 2cm2 h TRP 100 N 0.73 -0.22 -0.17 1.57 2.91 -0.59 -2.44 115.95 117.74 2cm2 h TRP 100 Ca 0.28 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.24 2cm2 h TRP 100 Cb 0.12 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.83 2cm2 h TRP 100 CO -0.07 -0.00 -0.18 0.93 -1.03 0.00 0.00 178.44 178.10 2cm2 h GLU 101 N -0.42 0.28 -0.01 2.65 5.08 -0.58 -2.50 114.58 119.08 2cm2 h GLU 101 Ca -0.02 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2cm2 h GLU 101 Cb 0.32 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2cm2 h GLU 101 CO 0.04 0.45 -0.13 1.04 -1.00 0.00 0.00 179.01 179.41 2cm2 n GLN 102 N -4.22 1.03 -3.02 2.33 1.13 0.08 -4.94 117.38 109.76 2cm2 n GLN 102 Ca -0.01 -0.52 -0.22 0.00 -1.94 0.00 0.00 57.00 54.31 2cm2 n GLN 102 Cb 0.31 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.20 2cm2 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2cm2 n LYS 103 N -0.54 -4.52 -2.14 -1.09 4.01 -0.94 -3.83 118.16 109.11 2cm2 n LYS 103 Ca 0.15 0.86 -0.38 0.00 -0.51 0.00 0.00 58.31 58.44 2cm2 n LYS 103 Cb 0.32 -5.70 0.00 0.00 -0.51 0.00 0.00 35.03 29.14 2cm2 n LYS 103 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2cm2 s SER 104 N -2.66 6.03 -0.17 4.39 0.01 -1.01 -0.79 113.70 119.49 2cm2 s SER 104 Ca 0.29 2.44 0.17 0.00 1.31 0.00 0.00 55.95 60.17 2cm2 s SER 104 Cb -0.13 -2.61 -0.25 0.00 0.21 0.00 0.00 66.02 63.24 2cm2 s SER 104 CO 0.36 -1.03 0.18 -1.14 0.41 0.00 0.00 173.24 172.03 2cm2 n ARG 105 N -0.48 0.68 -4.09 12.44 3.00 -1.26 -4.86 116.66 122.09 2cm2 n ARG 105 Ca 0.07 0.05 -0.08 0.00 -0.00 0.00 0.00 57.85 57.89 2cm2 n ARG 105 Cb 0.47 -1.57 -0.10 0.00 0.00 0.00 0.00 32.46 31.25 2cm2 n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2cm2 s GLY 106 N -5.42 0.51 -0.07 5.14 0.00 -1.26 -0.88 107.32 105.34 2cm2 s GLY 106 Ca -0.09 -1.12 0.04 0.00 0.00 0.00 0.00 44.72 43.55 2cm2 s GLY 106 CO 0.83 -1.22 -0.20 0.14 0.00 0.00 0.00 173.10 172.65 2cm2 s VAL 107 N -3.34 1.68 -0.21 1.40 1.01 0.13 -1.86 120.40 119.22 2cm2 s VAL 107 Ca 0.04 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 2cm2 s VAL 107 Cb 0.04 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 2cm2 s VAL 107 CO -0.07 0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 174.76 2cm2 s VAL 108 N 0.22 3.27 -0.16 2.92 1.01 0.89 -0.42 120.40 128.14 2cm2 s VAL 108 Ca -0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2cm2 s VAL 108 Cb -0.15 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 2cm2 s VAL 108 CO 0.05 0.44 -0.13 -0.32 0.00 0.00 0.00 175.10 175.14 2cm2 s MET 109 N 1.33 3.29 -0.16 2.72 0.00 -0.03 -0.86 119.30 125.58 2cm2 s MET 109 Ca 0.04 -0.71 0.17 0.00 0.00 0.00 0.00 55.69 55.19 2cm2 s MET 109 Cb -0.14 -2.70 0.45 0.00 0.00 0.00 0.00 34.83 32.44 2cm2 s MET 109 CO -0.03 0.02 1.34 1.28 0.00 0.00 0.00 175.02 177.63 2cm2 n LEU 110 N 4.07 3.41 -4.14 4.11 4.77 -0.28 -0.62 117.00 128.33 2cm2 n LEU 110 Ca -0.19 -3.02 -0.10 0.00 -0.03 0.00 0.00 56.01 52.67 2cm2 n LEU 110 Cb 0.52 -0.51 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 2cm2 n LEU 110 CO 0.29 0.68 -0.25 0.54 -1.33 0.00 0.00 177.39 177.33 2cm2 s ASN 111 N -2.20 0.24 0.15 -1.43 4.22 -1.26 -4.80 114.94 109.85 2cm2 s ASN 111 Ca 0.39 -1.22 0.03 0.00 -2.14 0.00 0.00 52.86 49.91 2cm2 s ASN 111 Cb 0.32 0.34 -0.04 0.00 1.28 0.00 0.00 41.25 43.15 2cm2 s ASN 111 CO 0.07 -0.78 0.26 -0.13 -2.04 0.00 0.00 177.10 174.48 2cm2 s ARG 112 N -4.07 3.37 0.25 3.55 0.52 -1.26 -4.87 118.95 116.44 2cm2 s ARG 112 Ca 0.27 -0.63 -0.04 0.00 -0.52 0.00 0.00 55.73 54.81 2cm2 s ARG 112 Cb 0.07 -2.93 0.38 0.00 0.52 0.00 0.00 34.95 33.00 2cm2 s ARG 112 CO 0.04 0.52 1.84 0.28 0.02 0.00 0.00 175.30 178.01 2cm2 h VAL 113 N 1.70 1.00 -3.32 3.52 2.07 -1.94 -3.40 116.25 115.88 2cm2 h VAL 113 Ca -0.48 -0.33 -0.65 0.00 0.82 0.00 0.00 66.70 66.05 2cm2 h VAL 113 Cb 1.19 -0.04 -0.33 0.00 -1.52 0.00 0.00 31.29 30.59 2cm2 h VAL 113 CO 0.68 0.18 -0.87 -0.32 0.02 0.00 0.00 177.57 177.26 2cm2 s MET 114 N -6.04 2.83 -0.05 1.57 -2.45 -1.26 -0.21 119.30 113.69 2cm2 s MET 114 Ca -0.12 -0.80 -0.00 0.00 -1.25 0.00 0.00 55.69 53.51 2cm2 s MET 114 Cb 0.19 -2.19 0.03 0.00 1.25 0.00 0.00 34.83 34.11 2cm2 s MET 114 CO 0.79 0.12 -0.01 -1.21 1.05 0.00 0.00 175.02 175.76 2cm2 s GLU 115 N 0.49 0.55 -1.47 4.11 2.02 -0.46 -4.87 118.70 119.07 2cm2 s GLU 115 Ca -0.16 0.06 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 2cm2 s GLU 115 Cb -0.17 -0.78 0.01 0.00 0.10 0.00 0.00 34.13 33.29 2cm2 s GLU 115 CO 0.06 -0.20 0.29 0.36 0.02 0.00 0.00 175.26 175.79 2cm2 n LYS 116 N 4.58 -2.47 -1.18 1.61 2.85 -1.26 -0.96 118.16 121.34 2cm2 n LYS 116 Ca -0.17 0.30 -0.06 0.00 -1.05 0.00 0.00 58.31 57.33 2cm2 n LYS 116 Cb 0.50 -4.23 -0.03 0.00 -0.65 0.00 0.00 35.03 30.63 2cm2 n LYS 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2cm2 n GLY 117 N -2.16 0.74 3.22 2.58 0.00 -1.26 -5.00 105.19 103.31 2cm2 n GLY 117 Ca -0.30 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 2cm2 n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cm2 s SER 118 N -2.40 2.90 -0.18 1.61 0.15 -0.13 -5.09 113.70 110.56 2cm2 s SER 118 Ca 0.00 -0.50 -0.29 0.00 0.70 0.00 0.00 55.95 55.86 2cm2 s SER 118 Cb 0.00 -1.05 -0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2cm2 s SER 118 CO 0.00 0.19 1.13 -0.76 1.20 0.00 0.00 173.24 174.99 2cm2 s LEU 119 N 0.12 4.16 0.05 3.45 1.43 -1.26 -1.35 118.68 125.27 2cm2 s LEU 119 Ca -0.11 1.53 0.22 0.00 -1.03 0.00 0.00 54.13 54.75 2cm2 s LEU 119 Cb -0.15 -3.54 -0.22 0.00 0.03 0.00 0.00 46.19 42.31 2cm2 s LEU 119 CO 0.06 -0.67 0.68 0.29 0.23 0.00 0.00 176.35 176.93 2cm2 n LYS 120 N 6.21 0.64 -3.58 1.70 4.76 0.70 -4.98 118.16 123.61 2cm2 n LYS 120 Ca 0.12 -0.08 -0.05 0.00 -2.87 0.00 0.00 58.31 55.43 2cm2 n LYS 120 Cb 0.46 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 2cm2 n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2cm2 s ALA 122 N -2.80 2.47 -1.06 0.00 0.00 -0.08 -4.78 121.76 115.52 2cm2 s ALA 122 Ca 0.09 0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.97 2cm2 s ALA 122 Cb -0.00 -3.21 0.08 0.00 0.00 0.00 0.00 23.12 19.99 2cm2 s ALA 122 CO -0.05 -1.48 1.41 -1.14 0.00 0.00 0.00 175.76 174.49 2cm2 s GLN 123 N -5.00 3.69 0.00 0.00 2.00 -1.26 -4.81 119.66 114.28 2cm2 s GLN 123 Ca 0.59 -1.53 0.24 0.00 -2.00 0.00 0.00 55.36 52.67 2cm2 s GLN 123 Cb -0.15 -5.25 0.96 0.00 0.80 0.00 0.00 33.01 29.36 2cm2 s GLN 123 CO 0.55 -2.07 1.68 2.48 -0.50 0.00 0.00 175.29 177.43 2cm2 n TYR 124 N 7.98 0.10 -4.15 1.67 0.18 -1.26 -4.85 117.16 116.83 2cm2 n TYR 124 Ca 0.34 -0.05 -0.14 0.00 1.88 0.00 0.00 57.90 59.92 2cm2 n TYR 124 Cb 0.49 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.34 2cm2 n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2cm2 s TRP 125 N -1.90 0.97 0.26 -3.48 -2.14 -1.26 -5.06 118.94 106.32 2cm2 s TRP 125 Ca 0.35 -0.62 -0.30 0.00 2.66 0.00 0.00 56.10 58.20 2cm2 s TRP 125 Cb 0.19 -0.54 -0.09 0.00 -3.10 0.00 0.00 33.47 29.92 2cm2 s TRP 125 CO 0.30 -0.03 1.15 -1.25 -2.66 0.00 0.00 176.95 174.46 2cm2 s PRO 126 N -2.47 4.56 0.07 3.25 0.04 -1.26 -4.93 135.00 134.25 2cm2 s PRO 126 Ca 0.01 1.87 0.24 0.00 0.04 0.00 0.00 61.00 63.17 2cm2 s PRO 126 Cb -0.05 -3.19 0.31 0.00 0.04 0.00 0.00 34.50 31.62 2cm2 s PRO 126 CO -0.00 0.07 1.27 1.04 0.04 0.00 0.00 177.00 179.42 2cm2 n GLN 127 N 1.55 0.20 -5.16 4.56 6.02 -1.26 -4.73 117.38 118.57 2cm2 n GLN 127 Ca 0.01 0.04 -0.30 0.00 -0.01 0.00 0.00 57.00 56.73 2cm2 n GLN 127 Cb 0.44 -1.61 -0.16 0.00 1.02 0.00 0.00 30.24 29.93 2cm2 n GLN 127 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2cm2 s LYS 128 N -3.12 2.34 0.31 -1.09 2.20 -1.26 -5.03 119.74 114.09 2cm2 s LYS 128 Ca 0.07 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.86 2cm2 s LYS 128 Cb 0.15 -2.00 0.50 0.00 -1.51 0.00 0.00 37.83 34.97 2cm2 s LYS 128 CO 0.74 0.35 1.86 0.93 -0.36 0.00 0.00 175.35 178.87 2cm2 h GLU 129 N 6.09 0.72 0.00 4.03 3.07 -1.89 -2.51 114.58 124.09 2cm2 h GLU 129 Ca -0.32 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2cm2 h GLU 129 Cb 1.17 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 2cm2 h GLU 129 CO 0.47 0.65 0.00 0.39 -1.40 0.00 0.00 179.01 179.13 2cm2 n GLU 130 N -4.29 0.35 -3.88 2.33 -0.58 -1.26 -4.47 120.64 108.83 2cm2 n GLU 130 Ca 0.03 0.01 -0.31 0.00 -0.42 0.00 0.00 57.16 56.47 2cm2 n GLU 130 Cb 0.21 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.46 2cm2 n GLU 130 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2cm2 s LYS 131 N -2.64 2.21 0.92 3.49 -0.14 -0.95 -5.10 119.74 117.54 2cm2 s LYS 131 Ca 0.25 -2.71 -0.11 0.00 -1.36 0.00 0.00 55.97 52.04 2cm2 s LYS 131 Cb 0.19 -3.45 0.15 0.00 -1.68 0.00 0.00 37.83 33.04 2cm2 s LYS 131 CO 0.46 -1.15 1.10 -1.83 -0.76 0.00 0.00 175.35 173.16 2cm2 s GLU 132 N -0.42 1.00 -0.10 1.68 -1.05 -1.26 -4.59 118.70 113.96 2cm2 s GLU 132 Ca 0.18 1.09 0.03 0.00 -0.15 0.00 0.00 54.97 56.12 2cm2 s GLU 132 Cb -0.22 -1.76 -0.01 0.00 -0.44 0.00 0.00 34.13 31.71 2cm2 s GLU 132 CO -0.03 -2.50 -0.20 -1.64 0.95 0.00 0.00 175.26 171.84 2cm2 s MET 133 N -4.77 3.07 -0.14 -4.83 -1.94 -0.21 -4.97 119.30 105.51 2cm2 s MET 133 Ca 0.65 -0.81 -0.01 0.00 -1.71 0.00 0.00 55.69 53.81 2cm2 s MET 133 Cb -0.20 -2.39 -0.01 0.00 2.01 0.00 0.00 34.83 34.23 2cm2 s MET 133 CO 0.58 0.24 -0.12 0.42 -0.01 0.00 0.00 175.02 176.13 2cm2 s ILE 134 N 0.23 3.12 -0.66 2.53 1.01 -1.26 -0.57 121.20 125.60 2cm2 s ILE 134 Ca -0.13 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 2cm2 s ILE 134 Cb -0.16 -2.33 0.17 0.00 0.01 0.00 0.00 42.46 40.15 2cm2 s ILE 134 CO 0.07 0.51 0.54 -0.36 0.00 0.00 0.00 174.94 175.70 2cm2 s PHE 135 N 0.49 3.54 0.47 3.97 0.08 0.55 -4.93 117.98 122.14 2cm2 s PHE 135 Ca -0.08 -2.26 0.15 0.00 0.12 0.00 0.00 56.93 54.86 2cm2 s PHE 135 Cb -0.16 -3.49 1.10 0.00 -0.57 0.00 0.00 43.02 39.90 2cm2 s PHE 135 CO 0.04 -0.93 2.05 0.93 -0.10 0.00 0.00 175.22 177.21 2cm2 h GLU 136 N 7.62 0.00 0.00 0.44 5.08 -1.97 -1.73 114.58 124.02 2cm2 h GLU 136 Ca -0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 2cm2 h GLU 136 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2cm2 h GLU 136 CO 0.76 0.12 -0.38 0.38 -1.00 0.00 0.00 179.01 178.90 2cm2 h ASP 137 N 0.00 0.00 -0.09 1.42 2.03 -1.95 -3.27 116.42 114.55 2cm2 h ASP 137 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2cm2 h ASP 137 Cb 0.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 2cm2 h ASP 137 CO 0.02 0.38 0.00 0.35 -1.03 0.00 0.00 179.24 178.95 2cm2 n THR 138 N -3.44 1.05 -3.59 1.15 -2.24 -1.08 -5.02 114.28 101.11 2cm2 n THR 138 Ca 0.00 -1.05 -0.21 0.00 -2.27 0.00 0.00 64.05 60.52 2cm2 n THR 138 Cb 0.54 0.46 0.06 0.00 -2.10 0.00 0.00 70.33 69.30 2cm2 n THR 138 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2cm2 n ASN 139 N -0.27 -2.43 -4.07 3.42 3.02 -0.67 -4.91 115.26 109.36 2cm2 n ASN 139 Ca 0.04 -0.70 -0.19 0.00 -0.03 0.00 0.00 54.58 53.70 2cm2 n ASN 139 Cb 0.32 -4.61 -0.14 0.00 -0.61 0.00 0.00 39.78 34.74 2cm2 n ASN 139 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2cm2 s LEU 140 N -6.67 2.09 0.03 3.41 1.43 -1.07 -0.62 118.68 117.28 2cm2 s LEU 140 Ca 0.12 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 2cm2 s LEU 140 Cb -0.06 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.65 2cm2 s LEU 140 CO 0.77 0.06 -0.25 -0.75 0.23 0.00 0.00 176.35 176.41 2cm2 s LYS 141 N -0.64 1.75 -0.07 1.70 2.20 -0.48 -0.33 119.74 123.86 2cm2 s LYS 141 Ca 0.02 -1.02 0.01 0.00 -0.36 0.00 0.00 55.97 54.61 2cm2 s LYS 141 Cb -0.06 -1.86 0.02 0.00 -1.51 0.00 0.00 37.83 34.42 2cm2 s LYS 141 CO 0.00 0.49 -0.08 -1.17 -0.36 0.00 0.00 175.35 174.23 2cm2 s LEU 142 N -1.08 1.39 -0.02 5.43 2.96 0.27 -0.59 118.68 127.04 2cm2 s LEU 142 Ca 0.10 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 2cm2 s LEU 142 Cb -0.10 -0.70 -0.01 0.00 0.50 0.00 0.00 46.19 45.88 2cm2 s LEU 142 CO 0.01 -0.04 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.91 2cm2 s THR 143 N 1.05 1.59 -0.20 3.68 2.01 -0.36 -1.04 115.64 122.36 2cm2 s THR 143 Ca -0.08 -0.85 -0.28 0.00 0.31 0.00 0.00 61.69 60.79 2cm2 s THR 143 Cb -0.14 -1.32 0.00 0.00 0.01 0.00 0.00 72.50 71.04 2cm2 s THR 143 CO -0.01 0.45 0.99 -0.22 -0.69 0.00 0.00 174.62 175.14 2cm2 s LEU 144 N -0.41 4.14 -0.18 4.42 2.96 -1.26 -0.66 118.68 127.69 2cm2 s LEU 144 Ca 0.06 1.35 -0.09 0.00 -0.22 0.00 0.00 54.13 55.23 2cm2 s LEU 144 Cb -0.08 -3.47 -0.22 0.00 0.50 0.00 0.00 46.19 42.92 2cm2 s LEU 144 CO -0.00 -0.58 0.16 -0.38 -1.32 0.00 0.00 176.35 174.23 2cm2 n ILE 145 N 5.09 1.66 -3.47 6.68 5.41 -0.15 -4.49 119.36 130.09 2cm2 n ILE 145 Ca 0.10 -0.49 -0.15 0.00 1.00 0.00 0.00 62.75 63.21 2cm2 n ILE 145 Cb 0.47 -1.75 -0.04 0.00 -0.71 0.00 0.00 39.64 37.61 2cm2 n ILE 145 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2cm2 s SER 146 N -6.94 -0.60 -0.03 4.38 1.04 -1.11 -4.95 113.70 105.48 2cm2 s SER 146 Ca -0.28 0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.48 2cm2 s SER 146 Cb 0.08 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.79 2cm2 s SER 146 CO 0.68 -0.79 0.02 -0.70 0.98 0.00 0.00 173.24 173.43 2cm2 s GLU 147 N -2.53 0.15 -0.32 4.02 2.12 -1.26 -1.34 118.70 119.53 2cm2 s GLU 147 Ca -0.04 0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.47 2cm2 s GLU 147 Cb -0.01 -0.45 0.10 0.00 0.26 0.00 0.00 34.13 34.03 2cm2 s GLU 147 CO -0.02 -0.20 0.07 0.34 -0.54 0.00 0.00 175.26 174.91 2cm2 s ASP 148 N 1.33 4.37 -0.17 -1.70 2.15 -0.02 -5.01 116.67 117.62 2cm2 s ASP 148 Ca -0.06 -1.86 -0.22 0.00 0.43 0.00 0.00 52.55 50.84 2cm2 s ASP 148 Cb -0.13 -1.24 -0.02 0.00 -0.30 0.00 0.00 42.92 41.23 2cm2 s ASP 148 CO -0.03 -0.39 0.70 -0.63 -0.17 0.00 0.00 175.17 174.65 2cm2 s ILE 149 N 1.27 4.98 0.49 4.11 1.01 -1.26 -1.50 121.20 130.30 2cm2 s ILE 149 Ca 0.10 1.35 0.05 0.00 0.00 0.00 0.00 60.65 62.14 2cm2 s ILE 149 Cb -0.18 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 2cm2 s ILE 149 CO -0.16 0.10 0.17 -0.54 0.00 0.00 0.00 174.94 174.51 2cm2 s LYS 150 N 1.84 2.20 0.19 2.79 -0.14 -0.00 -5.01 119.74 121.62 2cm2 s LYS 150 Ca 0.33 -2.12 -0.11 0.00 -1.36 0.00 0.00 55.97 52.71 2cm2 s LYS 150 Cb -0.16 -1.83 0.18 0.00 -1.68 0.00 0.00 37.83 34.34 2cm2 s LYS 150 CO 0.12 -0.35 1.79 0.77 -0.76 0.00 0.00 175.35 176.92 2cm2 h SER 151 N 1.22 0.44 -0.00 2.83 0.02 -2.02 -3.28 113.55 112.76 2cm2 h SER 151 Ca -0.41 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2cm2 h SER 151 Cb 1.29 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2cm2 h SER 151 CO 0.68 0.30 -0.21 0.00 -1.14 0.00 0.00 176.83 176.46 2cm2 n TYR 152 N -4.84 0.00 -3.72 3.45 0.18 -1.26 -4.90 117.16 106.06 2cm2 n TYR 152 Ca 0.06 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.75 2cm2 n TYR 152 Cb 0.15 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.09 2cm2 n TYR 152 CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 2cm2 s TYR 153 N -1.31 -0.27 -0.03 -3.48 1.13 -1.24 -2.06 117.35 110.09 2cm2 s TYR 153 Ca 0.06 -0.10 0.03 0.00 -1.41 0.00 0.00 57.07 55.64 2cm2 s TYR 153 Cb 0.06 0.61 0.00 0.00 -1.10 0.00 0.00 41.96 41.54 2cm2 s TYR 153 CO 0.23 -1.08 -0.11 0.99 -2.51 0.00 0.00 175.55 173.07 2cm2 s THR 154 N -3.87 0.94 -0.14 -3.49 2.01 0.06 -0.82 115.64 110.33 2cm2 s THR 154 Ca 0.08 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 2cm2 s THR 154 Cb -0.04 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2cm2 s THR 154 CO 0.00 0.29 -0.12 0.54 -0.69 0.00 0.00 174.62 174.64 2cm2 s VAL 155 N 0.16 3.11 0.12 3.82 0.11 -0.56 -1.02 120.40 126.14 2cm2 s VAL 155 Ca -0.03 -0.63 0.10 0.00 -2.93 0.00 0.00 61.98 58.48 2cm2 s VAL 155 Cb -0.09 -2.32 -0.04 0.00 -1.53 0.00 0.00 36.38 32.39 2cm2 s VAL 155 CO 0.01 0.51 -0.24 -0.13 -3.33 0.00 0.00 175.10 171.92 2cm2 s ARG 156 N 0.50 1.28 -0.13 1.54 0.52 -0.06 -0.84 118.95 121.76 2cm2 s ARG 156 Ca -0.08 -1.28 -0.03 0.00 -0.52 0.00 0.00 55.73 53.83 2cm2 s ARG 156 Cb -0.16 -1.65 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 2cm2 s ARG 156 CO 0.04 0.39 -0.05 -0.65 0.02 0.00 0.00 175.30 175.05 2cm2 s GLN 157 N -2.04 3.45 -0.03 3.54 -0.21 -0.45 -0.76 119.66 123.17 2cm2 s GLN 157 Ca 0.11 -0.53 0.07 0.00 0.02 0.00 0.00 55.36 55.03 2cm2 s GLN 157 Cb -0.10 -2.83 -0.02 0.00 1.00 0.00 0.00 33.01 31.07 2cm2 s GLN 157 CO 0.05 0.34 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.83 2cm2 s LEU 158 N 0.08 2.04 -0.29 2.90 1.43 0.07 -0.98 118.68 123.93 2cm2 s LEU 158 Ca -0.01 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.54 2cm2 s LEU 158 Cb -0.14 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2cm2 s LEU 158 CO 0.03 0.27 0.24 -0.70 0.23 0.00 0.00 176.35 176.42 2cm2 s GLU 159 N -0.44 3.90 -0.25 1.70 2.12 0.17 -0.50 118.70 125.39 2cm2 s GLU 159 Ca 0.06 -0.28 -0.08 0.00 0.36 0.00 0.00 54.97 55.03 2cm2 s GLU 159 Cb -0.10 -3.68 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 2cm2 s GLU 159 CO 0.00 -0.24 0.08 -1.17 -0.54 0.00 0.00 175.26 173.39 2cm2 s LEU 160 N 1.83 3.54 -0.13 2.70 2.96 0.54 -1.23 118.68 128.91 2cm2 s LEU 160 Ca 0.09 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 2cm2 s LEU 160 Cb -0.16 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 2cm2 s LEU 160 CO 0.11 -0.02 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.28 2cm2 s GLU 161 N 1.51 3.34 -0.40 1.98 2.12 0.24 -0.91 118.70 126.58 2cm2 s GLU 161 Ca 0.06 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.39 2cm2 s GLU 161 Cb -0.15 -2.60 0.02 0.00 0.26 0.00 0.00 34.13 31.66 2cm2 s GLU 161 CO 0.04 0.19 1.09 1.21 -0.54 0.00 0.00 175.26 177.26 2cm2 s ASN 162 N 0.39 6.77 0.44 -1.70 3.84 -0.15 -1.38 114.94 123.15 2cm2 s ASN 162 Ca -0.11 0.74 0.30 0.00 0.21 0.00 0.00 52.86 53.99 2cm2 s ASN 162 Cb -0.16 -2.54 1.27 0.00 -0.55 0.00 0.00 41.25 39.27 2cm2 s ASN 162 CO 0.06 -1.05 1.89 -0.07 -2.79 0.00 0.00 177.10 175.14 2cm2 h LEU 163 N 10.60 0.00 0.20 3.21 3.38 -1.18 0.36 115.31 131.88 2cm2 h LEU 163 Ca -0.22 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.48 2cm2 h LEU 163 Cb 1.06 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.84 2cm2 h LEU 163 CO 1.07 0.00 -1.20 0.74 0.09 0.00 0.00 178.44 179.14 2cm2 h THR 164 N 0.00 1.37 0.00 0.22 2.02 -1.91 -3.39 112.91 111.21 2cm2 h THR 164 Ca 0.00 -2.60 0.00 0.00 0.77 0.00 0.00 66.41 64.58 2cm2 h THR 164 Cb 0.41 3.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 2cm2 h THR 164 CO 0.00 0.77 -1.47 0.35 0.37 0.00 0.00 175.52 175.54 2cm2 n THR 165 N -3.88 0.00 -0.95 3.16 -2.24 -1.17 -5.00 114.28 104.19 2cm2 n THR 165 Ca -0.15 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2cm2 n THR 165 Cb 0.98 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 2cm2 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cm2 n GLN 166 N -1.87 -0.17 -2.29 -0.78 3.00 0.13 -5.01 117.38 110.38 2cm2 n GLN 166 Ca -0.01 0.04 -0.38 0.00 -0.01 0.00 0.00 57.00 56.64 2cm2 n GLN 166 Cb 0.36 -3.10 -0.02 0.00 0.00 0.00 0.00 30.24 27.48 2cm2 n GLN 166 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2cm2 s GLU 167 N -0.27 3.97 0.12 -1.09 2.12 -1.24 -4.77 118.70 117.53 2cm2 s GLU 167 Ca 0.00 1.82 0.07 0.00 0.36 0.00 0.00 54.97 57.22 2cm2 s GLU 167 Cb 0.00 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.76 2cm2 s GLU 167 CO 0.00 -0.39 -0.17 0.95 -0.54 0.00 0.00 175.26 175.12 2cm2 s THR 168 N -1.46 1.51 0.02 -1.70 -4.23 -1.26 -0.98 115.64 107.54 2cm2 s THR 168 Ca 0.59 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 2cm2 s THR 168 Cb -0.30 -1.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 2cm2 s THR 168 CO 0.37 -0.28 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.02 2cm2 s ARG 169 N -2.37 0.29 -0.18 3.99 0.52 -0.09 -4.98 118.95 116.13 2cm2 s ARG 169 Ca 0.08 -0.54 -0.11 0.00 -0.52 0.00 0.00 55.73 54.64 2cm2 s ARG 169 Cb -0.07 0.07 -0.05 0.00 0.52 0.00 0.00 34.95 35.42 2cm2 s ARG 169 CO 0.04 -0.04 0.19 -1.21 0.02 0.00 0.00 175.30 174.30 2cm2 s GLU 170 N -1.29 4.14 -0.07 3.54 2.02 -1.26 -0.33 118.70 125.46 2cm2 s GLU 170 Ca -0.14 -0.10 0.03 0.00 0.02 0.00 0.00 54.97 54.79 2cm2 s GLU 170 Cb -0.09 -3.40 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 2cm2 s GLU 170 CO -0.01 0.33 -0.16 0.42 0.02 0.00 0.00 175.26 175.86 2cm2 s ILE 171 N 0.25 2.86 -0.12 -1.63 -1.09 0.34 -4.89 121.20 116.92 2cm2 s ILE 171 Ca 0.12 -0.78 -0.15 0.00 -2.23 0.00 0.00 60.65 57.61 2cm2 s ILE 171 Cb -0.12 -2.12 -0.05 0.00 -1.58 0.00 0.00 42.46 38.59 2cm2 s ILE 171 CO 0.01 0.57 0.35 -0.76 -1.23 0.00 0.00 174.94 173.89 2cm2 s LEU 172 N -0.42 4.30 -0.27 2.97 1.43 -0.06 -0.75 118.68 125.87 2cm2 s LEU 172 Ca 0.05 0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 2cm2 s LEU 172 Cb -0.12 -2.48 0.03 0.00 0.03 0.00 0.00 46.19 43.65 2cm2 s LEU 172 CO 0.02 0.12 -0.02 -2.28 0.23 0.00 0.00 176.35 174.42 2cm2 s HIS 173 N 0.19 3.15 -0.37 0.29 2.46 0.06 -0.69 115.29 120.38 2cm2 s HIS 173 Ca 0.20 -1.59 -0.09 0.00 0.47 0.00 0.00 55.06 54.05 2cm2 s HIS 173 Cb -0.14 -2.10 0.04 0.00 -0.13 0.00 0.00 32.58 30.25 2cm2 s HIS 173 CO 0.07 -0.74 0.17 -0.06 -2.47 0.00 0.00 174.74 171.72 2cm2 s PHE 174 N 1.32 3.26 -0.33 3.88 0.08 0.45 -0.88 117.98 125.75 2cm2 s PHE 174 Ca -0.01 -1.20 -0.06 0.00 0.12 0.00 0.00 56.93 55.78 2cm2 s PHE 174 Cb -0.18 -2.43 0.04 0.00 -0.57 0.00 0.00 43.02 39.88 2cm2 s PHE 174 CO -0.02 -0.70 0.09 -1.58 -0.10 0.00 0.00 175.22 172.90 2cm2 s HIS 175 N 1.48 3.26 -0.29 0.36 5.65 -0.19 -0.85 115.29 124.71 2cm2 s HIS 175 Ca 0.01 -1.49 -0.29 0.00 0.25 0.00 0.00 55.06 53.54 2cm2 s HIS 175 Cb -0.20 -2.26 0.01 0.00 -1.18 0.00 0.00 32.58 28.96 2cm2 s HIS 175 CO 0.05 -0.74 1.05 -0.47 -0.65 0.00 0.00 174.74 173.97 2cm2 s TYR 176 N 1.38 3.21 -1.82 3.88 6.14 0.21 -0.76 117.35 129.59 2cm2 s TYR 176 Ca -0.02 1.25 0.16 0.00 0.64 0.00 0.00 57.07 59.10 2cm2 s TYR 176 Cb -0.20 -3.54 0.26 0.00 0.42 0.00 0.00 41.96 38.91 2cm2 s TYR 176 CO 0.02 -0.67 1.17 0.25 0.64 0.00 0.00 175.55 176.96 2cm2 n THR 177 N 5.69 0.40 -0.84 4.34 -2.24 -0.88 -4.10 114.28 116.65 2cm2 n THR 177 Ca 0.11 -0.70 0.08 0.00 -2.27 0.00 0.00 64.05 61.28 2cm2 n THR 177 Cb 0.47 1.01 0.12 0.00 -2.10 0.00 0.00 70.33 69.84 2cm2 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cm2 n THR 178 N 0.98 1.73 -1.92 4.28 -2.24 -1.25 -4.92 114.28 110.95 2cm2 n THR 178 Ca 0.13 -1.97 -0.42 0.00 -2.27 0.00 0.00 64.05 59.52 2cm2 n THR 178 Cb 0.46 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 2cm2 n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2cm2 s TRP 179 N -2.48 2.65 0.63 4.78 -0.11 -1.26 -4.90 118.94 118.25 2cm2 s TRP 179 Ca 0.27 0.42 -0.18 0.00 1.22 0.00 0.00 56.10 57.82 2cm2 s TRP 179 Cb 0.23 -3.96 -0.03 0.00 -1.50 0.00 0.00 33.47 28.21 2cm2 s TRP 179 CO 0.03 -3.76 1.13 -0.35 -4.62 0.00 0.00 176.95 169.38 2cm2 n PRO 180 N 4.97 0.98 0.22 5.86 -0.04 -1.26 -4.91 135.00 140.83 2cm2 n PRO 180 Ca 0.15 0.39 0.05 0.00 -0.04 0.00 0.00 63.50 64.05 2cm2 n PRO 180 Cb 0.40 -2.36 0.49 0.00 -0.04 0.00 0.00 33.50 31.98 2cm2 n PRO 180 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2cm2 h ASP 181 N 0.46 0.00 -4.40 3.54 3.45 -1.99 -3.42 116.42 114.06 2cm2 h ASP 181 Ca -0.50 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.35 2cm2 h ASP 181 Cb 1.35 0.00 -0.28 0.00 -0.56 0.00 0.00 39.33 39.84 2cm2 h ASP 181 CO 0.52 0.21 -0.86 -0.36 -1.57 0.00 0.00 179.24 177.18 2cm2 s PHE 182 N -4.54 1.92 0.00 4.55 0.08 -1.26 -5.01 117.98 113.71 2cm2 s PHE 182 Ca -0.04 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.65 2cm2 s PHE 182 Cb 0.15 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 2cm2 s PHE 182 CO 0.70 0.01 0.00 0.41 -0.10 0.00 0.00 175.22 176.24 2cm2 n GLY 183 N 2.32 1.10 3.43 4.36 0.00 -1.26 -4.88 105.19 110.26 2cm2 n GLY 183 Ca -0.16 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 2cm2 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cm2 s VAL 184 N 0.00 1.61 0.40 1.61 -7.23 -1.26 -4.75 120.40 110.78 2cm2 s VAL 184 Ca 0.00 -2.11 -0.27 0.00 -1.81 0.00 0.00 61.98 57.79 2cm2 s VAL 184 Cb 0.00 -2.49 -0.10 0.00 0.56 0.00 0.00 36.38 34.34 2cm2 s VAL 184 CO 0.00 -0.27 1.44 -2.65 -0.31 0.00 0.00 175.10 173.31 2cm2 n PRO 185 N -0.60 2.46 -0.10 4.82 -0.02 -1.26 -4.89 135.00 135.41 2cm2 n PRO 185 Ca -0.05 0.87 -0.03 0.00 -2.02 0.00 0.00 63.50 62.26 2cm2 n PRO 185 Cb 0.64 -2.61 0.19 0.00 -0.02 0.00 0.00 33.50 31.70 2cm2 n PRO 185 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2cm2 h GLU 186 N 2.67 0.76 -6.52 -0.52 4.81 -1.99 -3.42 114.58 110.36 2cm2 h GLU 186 Ca -0.50 -0.18 -0.65 0.00 -0.13 0.00 0.00 59.36 57.89 2cm2 h GLU 186 Cb 1.26 -0.10 -0.26 0.00 0.63 0.00 0.00 28.75 30.28 2cm2 h GLU 186 CO 0.63 0.75 -0.87 0.45 -0.73 0.00 0.00 179.01 179.24 2cm2 s SER 187 N -6.64 2.93 0.00 1.04 0.15 -1.26 -5.02 113.70 104.90 2cm2 s SER 187 Ca -0.09 -0.58 0.24 0.00 0.70 0.00 0.00 55.95 56.21 2cm2 s SER 187 Cb 0.15 -0.25 1.11 0.00 -1.71 0.00 0.00 66.02 65.32 2cm2 s SER 187 CO 0.80 0.21 1.75 -0.81 1.20 0.00 0.00 173.24 176.40 2cm2 n PRO 188 N 1.71 1.40 0.04 5.44 -0.04 -1.26 -4.43 135.00 137.86 2cm2 n PRO 188 Ca -0.17 -0.60 -0.11 0.00 -0.04 0.00 0.00 63.50 62.58 2cm2 n PRO 188 Cb 0.52 -1.41 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 2cm2 n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cm2 h ALA 189 N 3.99 -0.38 -0.50 0.55 0.00 -1.97 0.15 119.26 121.10 2cm2 h ALA 189 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2cm2 h ALA 189 Cb 0.28 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2cm2 h ALA 189 CO 0.00 -0.79 0.01 0.66 0.00 0.00 0.00 179.25 179.13 2cm2 h SER 190 N -0.42 0.79 -0.64 0.00 4.64 -2.00 -0.24 113.55 115.69 2cm2 h SER 190 Ca 0.07 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.15 2cm2 h SER 190 Cb 0.52 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 2cm2 h SER 190 CO -0.27 0.86 0.20 0.15 -0.87 0.00 0.00 176.83 176.90 2cm2 h PHE 191 N 0.77 1.03 -0.33 4.77 3.57 -1.77 -0.76 116.94 124.21 2cm2 h PHE 191 Ca 0.15 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 2cm2 h PHE 191 Cb 0.46 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2cm2 h PHE 191 CO 0.03 0.83 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.73 2cm2 h LEU 192 N 0.92 0.70 -1.05 0.59 3.38 -0.65 -0.79 115.31 118.41 2cm2 h LEU 192 Ca 0.21 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2cm2 h LEU 192 Cb 0.29 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2cm2 h LEU 192 CO -0.01 0.94 0.52 -1.13 0.09 0.00 0.00 178.44 178.85 2cm2 h ASN 193 N 0.46 1.03 -0.19 -0.43 -1.24 -0.80 -0.32 115.58 114.10 2cm2 h ASN 193 Ca 0.08 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 2cm2 h ASN 193 Cb 0.67 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 2cm2 h ASN 193 CO 0.04 0.79 0.09 0.15 -1.29 0.00 0.00 177.43 177.22 2cm2 h PHE 194 N 1.19 0.26 -0.68 0.67 3.57 -0.93 -0.84 116.94 120.18 2cm2 h PHE 194 Ca 0.31 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.88 2cm2 h PHE 194 Cb -0.05 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.54 2cm2 h PHE 194 CO 0.00 0.28 0.35 1.25 -2.23 0.00 0.00 178.31 177.97 2cm2 h LEU 195 N 0.18 0.49 -1.12 0.59 5.85 -0.56 -0.41 115.31 120.32 2cm2 h LEU 195 Ca 0.06 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 2cm2 h LEU 195 Cb 0.11 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2cm2 h LEU 195 CO -0.01 0.30 -0.26 -0.26 -0.34 0.00 0.00 178.44 177.87 2cm2 h PHE 196 N 0.63 0.32 -0.48 1.25 -1.00 -0.65 -0.25 116.94 116.76 2cm2 h PHE 196 Ca 0.32 -0.06 -0.07 0.00 2.81 0.00 0.00 57.97 60.98 2cm2 h PHE 196 Cb 0.29 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 2cm2 h PHE 196 CO -0.10 0.53 0.04 0.87 -1.61 0.00 0.00 178.31 178.05 2cm2 h LYS 197 N 0.26 0.83 -0.49 1.51 1.79 -0.23 -0.84 116.57 119.41 2cm2 h LYS 197 Ca 0.04 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2cm2 h LYS 197 Cb 0.60 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 2cm2 h LYS 197 CO 0.04 0.85 0.22 0.28 -1.08 0.00 0.00 179.45 179.77 2cm2 h VAL 198 N 0.69 1.20 -0.82 0.50 2.07 -0.59 -1.99 116.25 117.32 2cm2 h VAL 198 Ca 0.14 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.11 2cm2 h VAL 198 Cb 0.45 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2cm2 h VAL 198 CO 0.02 0.22 0.53 0.03 0.02 0.00 0.00 177.57 178.39 2cm2 h ARG 199 N 0.65 1.01 0.00 1.57 3.08 -0.82 -2.10 114.38 117.77 2cm2 h ARG 199 Ca 0.17 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2cm2 h ARG 199 Cb 0.14 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2cm2 h ARG 199 CO -0.02 0.67 0.00 0.39 -1.07 0.00 0.00 179.97 179.94 2cm2 n GLU 200 N -4.56 0.21 0.16 0.04 1.02 -0.34 -3.20 120.64 113.97 2cm2 n GLU 200 Ca 0.09 0.37 0.13 0.00 -0.02 0.00 0.00 57.16 57.73 2cm2 n GLU 200 Cb 0.07 -1.85 0.32 0.00 -0.02 0.00 0.00 31.44 29.95 2cm2 n GLU 200 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2cm2 h SER 201 N 0.00 0.00 0.00 1.62 4.64 -0.64 -3.47 113.55 115.70 2cm2 h SER 201 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cm2 h SER 201 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2cm2 h SER 201 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2cm2 n GLY 202 N 1.13 0.98 0.29 -0.77 0.00 -1.19 -4.93 105.19 100.69 2cm2 n GLY 202 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2cm2 n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cm2 h SER 203 N 0.00 0.00 -0.39 1.61 0.02 -1.83 -1.77 113.55 111.19 2cm2 h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2cm2 h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2cm2 h SER 203 CO 0.00 0.02 0.00 0.18 -1.14 0.00 0.00 176.83 175.89 2cm2 n LEU 204 N -3.96 3.42 -4.80 5.07 4.77 -1.26 -3.77 117.00 116.47 2cm2 n LEU 204 Ca -0.03 -1.53 -0.34 0.00 -0.03 0.00 0.00 56.01 54.08 2cm2 n LEU 204 Cb 0.10 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 2cm2 n LEU 204 CO 0.29 0.74 0.67 -0.44 -1.33 0.00 0.00 177.39 177.32 2cm2 s SER 205 N -1.42 6.90 0.00 -1.43 0.01 -0.67 -4.88 113.70 112.20 2cm2 s SER 205 Ca 0.38 1.79 0.13 0.00 1.31 0.00 0.00 55.95 59.56 2cm2 s SER 205 Cb 0.22 -2.56 0.60 0.00 0.21 0.00 0.00 66.02 64.49 2cm2 s SER 205 CO 0.30 -0.39 1.38 -0.81 0.41 0.00 0.00 173.24 174.14 2cm2 n PRO 206 N -0.41 0.08 0.00 12.44 -0.04 -1.26 -2.58 135.00 143.23 2cm2 n PRO 206 Ca 0.06 0.23 0.15 0.00 -0.04 0.00 0.00 63.50 63.90 2cm2 n PRO 206 Cb 0.53 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 33.28 2cm2 n PRO 206 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2cm2 n GLU 207 N -1.41 0.55 -4.49 0.54 4.71 -1.26 -4.83 120.64 114.45 2cm2 n GLU 207 Ca 0.04 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 56.96 2cm2 n GLU 207 Cb 0.13 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 28.97 2cm2 n GLU 207 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2cm2 s HIS 208 N -2.44 1.85 0.97 -0.32 3.76 -1.06 -5.13 115.29 112.92 2cm2 s HIS 208 Ca 0.32 -1.12 -0.12 0.00 -0.15 0.00 0.00 55.06 53.99 2cm2 s HIS 208 Cb 0.20 -1.22 0.17 0.00 1.11 0.00 0.00 32.58 32.84 2cm2 s HIS 208 CO 0.43 -0.14 1.11 0.20 -0.85 0.00 0.00 174.74 175.49 2cm2 s GLY 209 N -3.55 1.57 0.49 -2.22 0.00 0.03 -4.94 107.32 98.69 2cm2 s GLY 209 Ca 0.29 -0.41 -0.23 0.00 0.00 0.00 0.00 44.72 44.37 2cm2 s GLY 209 CO 0.14 0.19 1.34 2.56 0.00 0.00 0.00 173.10 177.33 2cm2 s PRO 210 N -5.06 3.49 0.60 2.90 0.04 -1.26 -4.29 135.00 131.41 2cm2 s PRO 210 Ca 0.65 2.21 -0.19 0.00 0.04 0.00 0.00 61.00 63.70 2cm2 s PRO 210 Cb -0.17 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 2cm2 s PRO 210 CO 0.56 -0.90 1.30 0.54 0.04 0.00 0.00 177.00 178.54 2cm2 s VAL 211 N -1.30 2.15 -0.25 -0.36 0.11 -1.25 -4.49 120.40 115.01 2cm2 s VAL 211 Ca 0.66 0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 59.73 2cm2 s VAL 211 Cb -0.39 -3.04 -0.03 0.00 -1.53 0.00 0.00 36.38 31.39 2cm2 s VAL 211 CO 0.48 -0.01 0.07 -0.69 -3.33 0.00 0.00 175.10 171.62 2cm2 s VAL 212 N -1.39 4.31 -0.08 2.04 1.01 -0.78 -0.72 120.40 124.79 2cm2 s VAL 212 Ca 0.78 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.62 2cm2 s VAL 212 Cb -0.37 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2cm2 s VAL 212 CO 0.41 0.35 -0.16 -0.69 0.00 0.00 0.00 175.10 175.01 2cm2 s VAL 213 N 1.56 2.88 0.13 2.92 1.01 0.77 -0.07 120.40 129.60 2cm2 s VAL 213 Ca 0.06 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 2cm2 s VAL 213 Cb -0.15 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.12 2cm2 s VAL 213 CO 0.03 0.57 0.39 -1.38 0.00 0.00 0.00 175.10 174.71 2cm2 s HIS 214 N -0.29 -0.15 0.00 5.22 -3.43 -0.04 -1.44 115.29 115.17 2cm2 s HIS 214 Ca 0.02 -0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.09 2cm2 s HIS 214 Cb -0.13 0.23 0.00 0.00 -1.43 0.00 0.00 32.58 31.25 2cm2 s HIS 214 CO 0.03 -0.70 0.00 0.00 -2.00 0.00 0.00 174.74 172.06 2cm2 h SER 216 N 0.00 0.00 0.64 0.00 0.87 -1.91 -1.98 113.55 111.18 2cm2 h SER 216 Ca 0.00 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 2cm2 h SER 216 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2cm2 h SER 216 CO 0.00 0.85 -1.03 0.00 -0.53 0.00 0.00 176.83 176.12 2cm2 n ALA 217 N -2.76 3.00 -1.28 6.23 0.00 -1.26 -0.19 120.51 124.25 2cm2 n ALA 217 Ca -0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 53.44 53.03 2cm2 n ALA 217 Cb 0.32 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 2cm2 n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cm2 n GLY 218 N 1.30 0.38 0.00 0.00 0.00 -1.25 -4.06 105.19 101.57 2cm2 n GLY 218 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2cm2 n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2cm2 n ILE 219 N -3.27 0.00 0.00 -0.61 -5.35 -1.26 -4.45 119.36 104.41 2cm2 n ILE 219 Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2cm2 n ILE 219 Cb 0.14 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 2cm2 n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cm2 n GLY 220 N 1.12 1.59 0.36 3.28 0.00 -1.26 -1.18 105.19 109.10 2cm2 n GLY 220 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2cm2 n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2cm2 h ARG 221 N 0.00 1.02 -0.51 1.61 3.08 -1.95 -1.29 114.38 116.33 2cm2 h ARG 221 Ca 0.00 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 2cm2 h ARG 221 Cb 0.00 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 2cm2 h ARG 221 CO 0.00 0.67 0.11 0.77 -1.07 0.00 0.00 179.97 180.46 2cm2 h SER 222 N 1.05 0.73 -0.39 7.04 0.02 -1.87 -1.99 113.55 118.13 2cm2 h SER 222 Ca 0.33 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 2cm2 h SER 222 Cb 0.01 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2cm2 h SER 222 CO -0.09 0.72 -0.04 1.23 -1.14 0.00 0.00 176.83 177.51 2cm2 h GLY 223 N 0.94 0.87 1.02 -3.77 0.00 -0.95 -2.27 103.07 98.92 2cm2 h GLY 223 Ca 0.17 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 2cm2 h GLY 223 CO -0.00 0.57 0.23 -0.91 0.00 0.00 0.00 176.54 176.42 2cm2 h THR 224 N 0.74 1.25 -0.02 4.70 1.35 -0.61 0.20 112.91 120.53 2cm2 h THR 224 Ca 0.14 -0.83 -0.00 0.00 -0.55 0.00 0.00 66.41 65.17 2cm2 h THR 224 Cb 0.51 0.54 -0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2cm2 h THR 224 CO 0.03 0.32 0.01 0.15 -0.25 0.00 0.00 175.52 175.78 2cm2 h PHE 225 N 0.95 0.03 -0.07 4.73 3.57 -1.17 -1.31 116.94 123.67 2cm2 h PHE 225 Ca 0.22 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.53 2cm2 h PHE 225 Cb 0.27 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2cm2 h PHE 225 CO 0.02 0.15 -0.72 0.00 -2.23 0.00 0.00 178.31 175.53 2cm2 h LEU 227 N 0.25 0.27 -0.60 0.00 5.85 -0.94 -0.50 115.31 119.64 2cm2 h LEU 227 Ca -0.03 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 2cm2 h LEU 227 Cb 1.29 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 2cm2 h LEU 227 CO 0.12 0.33 0.31 0.00 -0.34 0.00 0.00 178.44 178.86 2cm2 h ALA 228 N 0.96 0.78 -0.06 1.25 0.00 -1.22 -0.79 119.26 120.18 2cm2 h ALA 228 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2cm2 h ALA 228 Cb 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2cm2 h ALA 228 CO -0.01 0.32 0.03 0.22 0.00 0.00 0.00 179.25 179.81 2cm2 h ASP 229 N 0.82 0.08 -0.62 0.00 3.58 -1.23 -1.47 116.42 117.58 2cm2 h ASP 229 Ca 0.21 -0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 2cm2 h ASP 229 Cb 0.08 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 2cm2 h ASP 229 CO -0.03 0.18 0.19 0.74 -2.88 0.00 0.00 179.24 177.43 2cm2 h THR 230 N -0.03 1.25 -0.75 2.25 2.02 -0.98 -0.84 112.91 115.82 2cm2 h THR 230 Ca 0.02 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 2cm2 h THR 230 Cb 0.12 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2cm2 h THR 230 CO -0.00 0.32 0.44 0.00 0.37 0.00 0.00 175.52 176.65 2cm2 h LEU 232 N 1.03 0.62 -0.53 0.00 3.38 -0.97 -1.06 115.31 117.79 2cm2 h LEU 232 Ca 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2cm2 h LEU 232 Cb -0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2cm2 h LEU 232 CO -0.05 0.81 0.30 0.25 0.09 0.00 0.00 178.44 179.85 2cm2 h LEU 233 N 0.56 0.65 -0.76 1.67 5.85 -0.60 -2.17 115.31 120.50 2cm2 h LEU 233 Ca 0.09 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 2cm2 h LEU 233 Cb 0.63 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2cm2 h LEU 233 CO 0.04 0.53 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.36 2cm2 h LEU 234 N 0.71 0.68 -1.44 2.25 3.38 -0.79 -1.70 115.31 118.40 2cm2 h LEU 234 Ca 0.19 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2cm2 h LEU 234 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2cm2 h LEU 234 CO -0.03 0.91 -0.28 0.24 0.09 0.00 0.00 178.44 179.36 2cm2 h MET 235 N 0.58 0.00 0.10 1.13 2.86 -0.91 -0.96 114.93 117.73 2cm2 h MET 235 Ca 0.08 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.44 2cm2 h MET 235 Cb 0.74 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 2cm2 h MET 235 CO 0.06 0.28 -1.34 0.22 1.06 0.00 0.00 176.91 177.19 2cm2 h ASP 236 N 0.00 0.33 -0.02 1.22 3.58 -1.16 -3.38 116.42 116.98 2cm2 h ASP 236 Ca -0.00 -0.40 -0.07 0.00 0.42 0.00 0.00 57.03 56.98 2cm2 h ASP 236 Cb 0.53 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2cm2 h ASP 236 CO 0.04 1.32 -0.25 0.50 -2.88 0.00 0.00 179.24 177.97 2cm2 h LYS 237 N 0.06 0.22 -7.18 0.28 3.64 -0.99 -3.46 116.57 109.13 2cm2 h LYS 237 Ca -0.17 -0.20 -0.51 0.00 -1.27 0.00 0.00 60.65 58.50 2cm2 h LYS 237 Cb 1.96 0.05 0.11 0.00 -0.41 0.00 0.00 32.23 33.94 2cm2 h LYS 237 CO 0.17 0.89 0.39 1.03 -2.27 0.00 0.00 179.45 179.65 2cm2 s ARG 238 N -3.38 2.70 0.32 1.90 0.52 -0.39 -4.94 118.95 115.68 2cm2 s ARG 238 Ca -0.15 1.51 0.03 0.00 -0.52 0.00 0.00 55.73 56.60 2cm2 s ARG 238 Cb 0.02 -1.93 0.54 0.00 0.52 0.00 0.00 34.95 34.10 2cm2 s ARG 238 CO 0.75 -1.35 1.84 0.87 0.02 0.00 0.00 175.30 177.43 2cm2 h LYS 239 N 0.09 0.55 -4.40 3.54 1.79 -1.90 -3.38 116.57 112.86 2cm2 h LYS 239 Ca -0.47 -0.13 -0.63 0.00 -2.18 0.00 0.00 60.65 57.23 2cm2 h LYS 239 Cb 1.26 -0.07 -0.39 0.00 -1.58 0.00 0.00 32.23 31.45 2cm2 h LYS 239 CO 0.53 0.60 -0.76 0.34 -1.08 0.00 0.00 179.45 179.08 2cm2 s ASP 240 N -6.73 4.23 0.62 0.86 -1.08 -1.26 -4.99 116.67 108.32 2cm2 s ASP 240 Ca -0.08 -1.57 0.37 0.00 -0.52 0.00 0.00 52.55 50.75 2cm2 s ASP 240 Cb 0.15 -1.31 2.10 0.00 -1.46 0.00 0.00 42.92 42.39 2cm2 s ASP 240 CO 0.77 -0.30 2.31 1.55 0.52 0.00 0.00 175.17 180.02 2cm2 h PRO 241 N 7.85 0.00 0.00 4.34 0.13 -1.75 -1.82 132.00 140.75 2cm2 h PRO 241 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2cm2 h PRO 241 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2cm2 h PRO 241 CO 0.46 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.10 2cm2 n SER 242 N -3.48 0.00 -0.07 1.44 3.41 -1.26 -2.57 113.62 111.09 2cm2 n SER 242 Ca -0.03 0.40 0.14 0.00 -0.26 0.00 0.00 58.87 59.12 2cm2 n SER 242 Cb 0.08 -0.45 0.60 0.00 -0.26 0.00 0.00 64.21 64.18 2cm2 n SER 242 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cm2 n SER 243 N -1.45 0.35 -4.68 4.04 3.41 -0.68 -0.72 113.62 113.88 2cm2 n SER 243 Ca 0.04 -0.34 -0.43 0.00 -0.26 0.00 0.00 58.87 57.89 2cm2 n SER 243 Cb 0.16 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 2cm2 n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2cm2 s VAL 244 N -2.61 4.55 -0.45 -3.33 1.01 -1.06 -4.76 120.40 113.74 2cm2 s VAL 244 Ca 0.25 1.85 -0.11 0.00 0.00 0.00 0.00 61.98 63.97 2cm2 s VAL 244 Cb 0.20 -4.19 0.09 0.00 0.00 0.00 0.00 36.38 32.48 2cm2 s VAL 244 CO 0.50 -0.05 0.33 -0.62 0.00 0.00 0.00 175.10 175.27 2cm2 s ASP 245 N 1.33 5.81 0.45 3.32 -1.08 -1.26 -4.87 116.67 120.36 2cm2 s ASP 245 Ca 0.50 -1.60 0.11 0.00 -0.52 0.00 0.00 52.55 51.04 2cm2 s ASP 245 Cb -0.20 -2.05 1.02 0.00 -1.46 0.00 0.00 42.92 40.23 2cm2 s ASP 245 CO 0.17 -0.63 2.07 -0.29 0.52 0.00 0.00 175.17 177.00 2cm2 h ILE 246 N 6.01 1.03 -0.38 4.11 2.10 -1.99 -1.24 117.51 127.15 2cm2 h ILE 246 Ca -0.24 -0.12 -0.13 0.00 1.08 0.00 0.00 64.86 65.45 2cm2 h ILE 246 Cb 1.09 0.63 -0.01 0.00 -1.09 0.00 0.00 36.82 37.44 2cm2 h ILE 246 CO 0.84 0.07 -0.26 0.11 -1.08 0.00 0.00 178.15 177.82 2cm2 h LYS 247 N 0.36 0.85 -0.34 2.19 1.57 -1.99 -0.90 116.57 118.30 2cm2 h LYS 247 Ca 0.14 -0.40 -0.12 0.00 -1.87 0.00 0.00 60.65 58.40 2cm2 h LYS 247 Cb 0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2cm2 h LYS 247 CO -0.03 1.04 -0.27 -0.22 -0.57 0.00 0.00 179.45 179.41 2cm2 h LYS 248 N 0.65 0.70 -0.35 3.15 3.64 -1.85 -0.84 116.57 121.67 2cm2 h LYS 248 Ca 0.07 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 2cm2 h LYS 248 Cb 0.83 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2cm2 h LYS 248 CO 0.07 0.89 0.10 0.28 -2.27 0.00 0.00 179.45 178.52 2cm2 h VAL 249 N 0.60 1.22 -0.54 2.00 2.07 -1.08 -1.06 116.25 119.45 2cm2 h VAL 249 Ca 0.08 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2cm2 h VAL 249 Cb 0.76 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2cm2 h VAL 249 CO 0.06 0.25 0.34 0.25 0.02 0.00 0.00 177.57 178.49 2cm2 h LEU 250 N 0.41 0.64 -1.36 2.57 5.85 -0.91 -0.97 115.31 121.54 2cm2 h LEU 250 Ca 0.11 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2cm2 h LEU 250 Cb 0.28 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2cm2 h LEU 250 CO -0.00 0.48 0.35 -0.07 -0.34 0.00 0.00 178.44 178.86 2cm2 h LEU 251 N 0.73 0.69 -0.40 2.25 3.38 -1.00 -0.10 115.31 120.86 2cm2 h LEU 251 Ca 0.20 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 2cm2 h LEU 251 Cb -0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2cm2 h LEU 251 CO -0.04 0.53 -0.26 -0.08 0.09 0.00 0.00 178.44 178.68 2cm2 h GLU 252 N 0.80 0.87 -0.09 1.13 4.57 -0.42 -2.82 114.58 118.62 2cm2 h GLU 252 Ca 0.21 -0.41 -0.06 0.00 -1.18 0.00 0.00 59.36 57.92 2cm2 h GLU 252 Cb -0.03 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2cm2 h GLU 252 CO -0.04 1.06 -0.22 0.52 -1.18 0.00 0.00 179.01 179.15 2cm2 h MET 253 N 0.69 0.15 0.00 1.92 2.86 -0.67 -1.83 114.93 118.05 2cm2 h MET 253 Ca 0.08 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2cm2 h MET 253 Cb 0.83 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2cm2 h MET 253 CO 0.07 0.37 0.00 0.54 1.06 0.00 0.00 176.91 178.96 2cm2 n ARG 254 N -4.22 0.09 0.15 1.72 1.74 -0.10 -1.20 116.66 114.85 2cm2 n ARG 254 Ca -0.01 0.38 0.13 0.00 -0.77 0.00 0.00 57.85 57.58 2cm2 n ARG 254 Cb 0.32 -1.69 0.45 0.00 -1.02 0.00 0.00 32.46 30.52 2cm2 n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2cm2 h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.22 -3.27 116.57 119.21 2cm2 h LYS 255 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 2cm2 h LYS 255 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 2cm2 h LYS 255 CO 0.00 0.00 -2.15 1.19 -0.57 0.00 0.00 179.45 177.92 2cm2 n PHE 256 N -2.46 0.00 -3.69 -1.35 3.72 -0.34 -4.95 117.46 108.38 2cm2 n PHE 256 Ca 0.03 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.33 2cm2 n PHE 256 Cb 0.35 -0.77 -0.11 0.00 -0.94 0.00 0.00 39.48 38.02 2cm2 n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2cm2 s ARG 257 N -2.72 0.41 0.62 -1.08 3.52 -1.13 -4.57 118.95 114.00 2cm2 s ARG 257 Ca -0.08 0.81 -0.18 0.00 -0.13 0.00 0.00 55.73 56.15 2cm2 s ARG 257 Cb 0.08 -0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.43 2cm2 s ARG 257 CO 0.77 -0.16 1.18 0.00 -0.81 0.00 0.00 175.30 176.29 2cm2 s MET 258 N 1.40 2.85 -0.93 5.12 0.23 -1.26 -4.04 119.30 122.67 2cm2 s MET 258 Ca -0.09 1.72 0.00 0.00 -1.03 0.00 0.00 55.69 56.29 2cm2 s MET 258 Cb -0.08 -1.93 0.00 0.00 -1.53 0.00 0.00 34.83 31.29 2cm2 s MET 258 CO -0.13 -1.27 0.00 0.41 -2.03 0.00 0.00 175.02 172.00 2cm2 n GLY 259 N 0.29 0.94 3.67 3.16 0.00 -1.26 -4.89 105.19 107.09 2cm2 n GLY 259 Ca 0.13 -0.14 -0.47 0.00 0.00 0.00 0.00 46.02 45.53 2cm2 n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cm2 n LEU 260 N -0.99 3.03 -1.31 0.99 4.77 -1.26 -3.86 117.00 118.36 2cm2 n LEU 260 Ca -0.09 1.06 -0.00 0.00 -0.03 0.00 0.00 56.01 56.96 2cm2 n LEU 260 Cb 0.46 -1.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.16 2cm2 n LEU 260 CO 0.13 -0.31 -0.05 -0.38 -1.33 0.00 0.00 177.39 175.45 2cm2 n ILE 261 N 3.69 -3.41 1.05 -0.08 2.08 -0.33 -4.99 119.36 117.37 2cm2 n ILE 261 Ca 0.18 0.28 0.11 0.00 0.56 0.00 0.00 62.75 63.89 2cm2 n ILE 261 Cb 0.28 -3.48 0.07 0.00 -0.75 0.00 0.00 39.64 35.75 2cm2 n ILE 261 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2cm2 n GLN 262 N 0.17 0.74 -3.90 0.38 1.13 -1.25 -4.94 117.38 109.71 2cm2 n GLN 262 Ca -0.02 -0.57 -0.09 0.00 -1.94 0.00 0.00 57.00 54.38 2cm2 n GLN 262 Cb 0.02 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 28.81 2cm2 n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2cm2 s THR 263 N -2.66 0.11 0.34 5.09 -4.23 -1.26 -5.03 115.64 108.00 2cm2 s THR 263 Ca 0.16 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.45 2cm2 s THR 263 Cb 0.18 -1.53 0.17 0.00 1.34 0.00 0.00 72.50 72.65 2cm2 s THR 263 CO 0.64 -0.51 1.89 0.00 -0.54 0.00 0.00 174.62 176.10 2cm2 h ALA 264 N 2.67 1.39 -0.47 3.99 0.00 -1.94 -1.93 119.26 122.97 2cm2 h ALA 264 Ca -0.33 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 2cm2 h ALA 264 Cb 1.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2cm2 h ALA 264 CO 0.53 0.44 0.07 0.22 0.00 0.00 0.00 179.25 180.51 2cm2 h ASP 265 N 0.55 0.69 0.21 0.00 3.58 -1.96 0.37 116.42 119.86 2cm2 h ASP 265 Ca 0.12 -0.13 -0.14 0.00 0.42 0.00 0.00 57.03 57.30 2cm2 h ASP 265 Cb 0.28 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2cm2 h ASP 265 CO 0.00 0.71 -0.54 1.56 -2.88 0.00 0.00 179.24 178.10 2cm2 h GLN 266 N 0.70 0.36 -0.30 0.28 4.20 -1.79 -0.55 115.11 118.00 2cm2 h GLN 266 Ca 0.15 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 2cm2 h GLN 266 Cb 0.33 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2cm2 h GLN 266 CO 0.01 0.80 -0.00 1.25 -0.67 0.00 0.00 178.83 180.22 2cm2 h LEU 267 N 0.28 0.53 -0.75 1.46 5.85 -0.67 -0.24 115.31 121.76 2cm2 h LEU 267 Ca 0.01 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 2cm2 h LEU 267 Cb 1.04 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 2cm2 h LEU 267 CO 0.09 0.71 0.40 -0.09 -0.34 0.00 0.00 178.44 179.21 2cm2 h ARG 268 N 0.33 1.06 -0.38 1.25 2.43 -0.85 -1.81 114.38 116.42 2cm2 h ARG 268 Ca 0.09 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 2cm2 h ARG 268 Cb 0.44 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2cm2 h ARG 268 CO 0.02 0.79 -0.02 0.35 -1.51 0.00 0.00 179.97 179.60 2cm2 h PHE 269 N 1.04 0.63 -0.51 2.20 3.57 -0.89 -1.22 116.94 121.77 2cm2 h PHE 269 Ca 0.26 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 2cm2 h PHE 269 Cb 0.05 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2cm2 h PHE 269 CO 0.00 0.62 0.07 0.77 -2.23 0.00 0.00 178.31 177.54 2cm2 h SER 270 N 0.57 0.82 -0.06 0.41 0.02 -0.47 -0.14 113.55 114.69 2cm2 h SER 270 Ca 0.12 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2cm2 h SER 270 Cb 0.39 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2cm2 h SER 270 CO 0.02 0.88 -0.02 1.88 -1.14 0.00 0.00 176.83 178.45 2cm2 h TYR 271 N 0.73 -0.04 -0.46 3.45 -1.99 -0.89 -1.50 116.97 116.26 2cm2 h TYR 271 Ca 0.15 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.94 2cm2 h TYR 271 Cb 0.42 0.03 -0.05 0.00 2.00 0.00 0.00 36.73 39.13 2cm2 h TYR 271 CO 0.03 -0.03 0.18 -0.07 -0.00 0.00 0.00 178.16 178.26 2cm2 h LEU 272 N -0.01 0.20 -0.73 3.88 3.38 -1.01 -0.06 115.31 120.95 2cm2 h LEU 272 Ca 0.03 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2cm2 h LEU 272 Cb 0.06 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2cm2 h LEU 272 CO -0.07 0.15 0.33 0.00 0.09 0.00 0.00 178.44 178.94 2cm2 h ALA 273 N 1.29 0.95 -0.32 1.53 0.00 -0.81 -0.91 119.26 120.99 2cm2 h ALA 273 Ca 0.21 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2cm2 h ALA 273 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2cm2 h ALA 273 CO -0.21 0.54 -0.18 0.28 0.00 0.00 0.00 179.25 179.69 2cm2 h VAL 274 N 1.04 1.29 0.02 0.00 2.07 -0.87 0.22 116.25 120.02 2cm2 h VAL 274 Ca 0.25 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 2cm2 h VAL 274 Cb 0.16 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2cm2 h VAL 274 CO -0.03 0.42 -0.01 0.40 0.02 0.00 0.00 177.57 178.37 2cm2 h ILE 275 N 0.45 1.06 -0.47 4.57 2.04 -0.88 0.45 117.51 124.73 2cm2 h ILE 275 Ca 0.07 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 2cm2 h ILE 275 Cb 0.71 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2cm2 h ILE 275 CO 0.05 0.07 -0.09 -0.33 0.00 0.00 0.00 178.15 177.84 2cm2 h GLU 276 N -0.13 0.89 -0.41 2.37 4.39 -1.18 -2.83 114.58 117.68 2cm2 h GLU 276 Ca -0.00 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.34 2cm2 h GLU 276 Cb 0.13 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2cm2 h GLU 276 CO 0.00 0.98 0.14 0.78 -1.16 0.00 0.00 179.01 179.75 2cm2 h GLY 277 N 0.73 0.62 0.96 -3.84 0.00 -0.44 -2.07 103.07 99.04 2cm2 h GLY 277 Ca 0.12 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 2cm2 h GLY 277 CO 0.04 0.29 0.01 0.00 0.00 0.00 0.00 176.54 176.89 2cm2 h ALA 278 N 1.58 0.57 0.28 3.60 0.00 -0.79 -1.94 119.26 122.55 2cm2 h ALA 278 Ca 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2cm2 h ALA 278 Cb 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2cm2 h ALA 278 CO -0.01 0.34 -0.13 0.87 0.00 0.00 0.00 179.25 180.31 2cm2 h LYS 279 N 0.57 -0.36 -0.77 0.00 1.57 -1.24 -0.79 116.57 115.56 2cm2 h LYS 279 Ca 0.12 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.01 2cm2 h LYS 279 Cb 0.46 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.79 2cm2 h LYS 279 CO 0.02 -0.19 0.42 0.35 -0.57 0.00 0.00 179.45 179.48 2cm2 h PHE 280 N -0.45 0.77 -0.35 -1.35 3.57 -1.37 -2.86 116.94 114.91 2cm2 h PHE 280 Ca -0.04 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.33 2cm2 h PHE 280 Cb 0.34 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2cm2 h PHE 280 CO -0.04 0.32 -0.43 0.82 -2.23 0.00 0.00 178.31 176.75 2cm2 h ILE 281 N 0.73 1.27 -2.20 1.41 2.04 -1.19 -3.46 117.51 116.11 2cm2 h ILE 281 Ca 0.37 -1.61 -0.47 0.00 1.00 0.00 0.00 64.86 64.15 2cm2 h ILE 281 Cb 0.33 1.45 0.10 0.00 -0.74 0.00 0.00 36.82 37.96 2cm2 h ILE 281 CO -0.24 0.53 0.16 -0.04 0.00 0.00 0.00 178.15 178.57 2cm2 s MET 282 N -4.32 1.34 0.00 2.37 -1.94 -0.32 -5.10 119.30 111.33 2cm2 s MET 282 Ca -0.11 -1.15 0.00 0.00 -1.71 0.00 0.00 55.69 52.72 2cm2 s MET 282 Cb 0.11 -2.25 0.00 0.00 2.01 0.00 0.00 34.83 34.70 2cm2 s MET 282 CO 0.88 -1.73 0.00 0.41 -0.01 0.00 0.00 175.02 174.57