#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 0.61 0.61 -4.13 4.39 -2.04 0.30 114.58 114.32 2cm3 h GLU 8 Ca 0.00 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 2cm3 h GLU 8 Cb 0.00 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2cm3 h GLU 8 CO 0.00 0.55 -0.30 0.37 -1.16 0.00 0.00 179.01 178.47 2cm3 h GLN 9 N 0.60 -0.80 -0.95 2.33 4.15 -2.04 1.24 115.11 119.65 2cm3 h GLN 9 Ca 0.14 0.05 0.20 0.00 0.77 0.00 0.00 58.65 59.81 2cm3 h GLN 9 Cb 0.20 0.18 -0.11 0.00 0.21 0.00 0.00 27.48 27.96 2cm3 h GLN 9 CO -0.01 -0.53 0.53 0.82 -1.93 0.00 0.00 178.83 177.71 2cm3 h ILE 10 N -0.85 0.63 -0.24 2.39 2.04 -1.93 0.83 117.51 120.38 2cm3 h ILE 10 Ca -0.08 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 2cm3 h ILE 10 Cb 0.63 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2cm3 h ILE 10 CO 0.14 0.11 -0.03 -0.78 0.00 0.00 0.00 178.15 177.59 2cm3 h ASP 11 N 0.62 0.44 -0.16 1.72 3.58 -0.13 0.41 116.42 122.91 2cm3 h ASP 11 Ca 0.57 -0.34 -0.12 0.00 0.42 0.00 0.00 57.03 57.55 2cm3 h ASP 11 Cb 0.95 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 2cm3 h ASP 11 CO -0.43 0.68 -0.30 0.11 -2.88 0.00 0.00 179.24 176.43 2cm3 h LYS 12 N 0.20 0.65 0.00 0.28 1.57 0.38 -2.42 116.57 117.23 2cm3 h LYS 12 Ca 0.06 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2cm3 h LYS 12 Cb 0.48 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2cm3 h LYS 12 CO 0.02 0.87 -0.19 0.66 -0.57 0.00 0.00 179.45 180.24 2cm3 h SER 13 N 0.56 0.00 -5.51 0.86 4.64 0.61 -3.48 113.55 111.23 2cm3 h SER 13 Ca 0.07 -0.06 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 2cm3 h SER 13 Cb 0.79 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.04 2cm3 h SER 13 CO 0.06 0.03 -0.73 0.61 -0.87 0.00 0.00 176.83 175.93 2cm3 n GLY 14 N 1.31 -0.34 1.17 -0.77 0.00 0.13 -4.94 105.19 101.75 2cm3 n GLY 14 Ca 0.05 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.24 2cm3 n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cm3 n SER 15 N -3.02 4.07 0.25 1.61 3.41 -0.34 -4.62 113.62 114.98 2cm3 n SER 15 Ca -0.25 -2.47 -0.17 0.00 -0.26 0.00 0.00 58.87 55.72 2cm3 n SER 15 Cb 0.65 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 64.04 2cm3 n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2cm3 h TRP 16 N 2.99 -1.21 -0.86 7.33 4.06 -1.92 0.33 115.95 126.66 2cm3 h TRP 16 Ca 0.00 0.01 0.23 0.00 2.06 0.00 0.00 58.89 61.19 2cm3 h TRP 16 Cb 1.26 0.48 -0.14 0.00 -1.00 0.00 0.00 29.16 29.76 2cm3 h TRP 16 CO 0.56 -0.59 0.23 0.00 -3.56 0.00 0.00 178.44 175.08 2cm3 h ALA 17 N -0.56 1.24 -0.10 1.49 0.00 -1.90 1.27 119.26 120.69 2cm3 h ALA 17 Ca -0.04 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2cm3 h ALA 17 Cb 0.78 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2cm3 h ALA 17 CO -0.09 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.72 2cm3 h ALA 18 N 1.76 0.14 -0.71 0.00 0.00 -1.68 0.51 119.26 119.28 2cm3 h ALA 18 Ca 0.54 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.31 2cm3 h ALA 18 Cb 1.06 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2cm3 h ALA 18 CO -0.64 -0.19 0.44 0.82 0.00 0.00 0.00 179.25 179.68 2cm3 h ILE 19 N -0.09 1.08 -0.73 0.00 1.08 0.28 -2.02 117.51 117.11 2cm3 h ILE 19 Ca 0.03 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 2cm3 h ILE 19 Cb 0.34 0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 34.21 2cm3 h ILE 19 CO 0.00 0.15 0.43 0.22 -0.69 0.00 0.00 178.15 178.27 2cm3 h TYR 20 N 0.84 0.98 -0.10 1.37 3.20 0.18 -2.33 116.97 121.12 2cm3 h TYR 20 Ca 0.29 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.05 2cm3 h TYR 20 Cb 0.05 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2cm3 h TYR 20 CO -0.05 0.67 -0.40 0.37 -1.64 0.00 0.00 178.16 177.11 2cm3 h GLN 21 N 1.00 0.21 -0.23 1.82 5.75 -0.39 -2.03 115.11 121.25 2cm3 h GLN 21 Ca 0.26 -0.10 -0.08 0.00 -0.15 0.00 0.00 58.65 58.58 2cm3 h GLN 21 Cb -0.01 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2cm3 h GLN 21 CO -0.05 0.59 -0.21 0.22 -2.65 0.00 0.00 178.83 176.73 2cm3 h ASP 22 N 0.18 0.41 -0.12 -0.69 3.58 -1.04 -0.20 116.42 118.54 2cm3 h ASP 22 Ca 0.02 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 2cm3 h ASP 22 Cb 0.80 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 2cm3 h ASP 22 CO 0.06 0.63 0.05 0.40 -2.88 0.00 0.00 179.24 177.50 2cm3 h ILE 23 N 0.37 1.14 0.00 2.25 2.04 -0.86 0.70 117.51 123.15 2cm3 h ILE 23 Ca 0.06 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2cm3 h ILE 23 Cb 0.58 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2cm3 h ILE 23 CO 0.04 0.12 -0.06 0.03 0.00 0.00 0.00 178.15 178.29 2cm3 h ARG 24 N 0.05 0.00 0.01 2.37 3.08 -0.93 0.21 114.38 119.17 2cm3 h ARG 24 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2cm3 h ARG 24 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2cm3 h ARG 24 CO -0.00 0.06 -0.15 0.45 -1.07 0.00 0.00 179.97 179.25 2cm3 h HIS 25 N 0.00 0.14 0.00 3.04 3.86 -0.24 -3.32 115.15 118.63 2cm3 h HIS 25 Ca -0.00 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2cm3 h HIS 25 Cb 0.14 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.59 2cm3 h HIS 25 CO 0.00 0.92 0.00 0.93 0.86 0.00 0.00 177.93 180.64 2cm3 h GLU 26 N -0.68 0.00 -5.80 2.45 5.08 -0.52 -3.46 114.58 111.66 2cm3 h GLU 26 Ca -0.02 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.58 2cm3 h GLU 26 Cb 0.97 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.27 2cm3 h GLU 26 CO 0.03 0.00 0.04 0.00 -1.00 0.00 0.00 179.01 178.08 2cm3 n ALA 27 N -2.05 -3.53 -1.16 3.43 0.00 0.71 -4.87 120.51 113.03 2cm3 n ALA 27 Ca 0.03 0.58 -0.29 0.00 0.00 0.00 0.00 53.44 53.75 2cm3 n ALA 27 Cb 0.45 -1.70 0.15 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.03 3.16 -0.07 0.00 1.04 -1.26 -5.03 113.70 111.51 2cm3 s SER 28 Ca 0.87 1.44 -0.02 0.00 0.48 0.00 0.00 55.95 58.72 2cm3 s SER 28 Cb -1.22 -2.11 0.03 0.00 0.10 0.00 0.00 66.02 62.82 2cm3 s SER 28 CO 0.55 -2.83 0.02 -0.62 0.98 0.00 0.00 173.24 171.35 2cm3 s ASP 29 N -3.38 1.53 0.14 7.02 2.15 -1.26 -4.93 116.67 117.95 2cm3 s ASP 29 Ca 0.64 -0.08 0.05 0.00 0.43 0.00 0.00 52.55 53.59 2cm3 s ASP 29 Cb -0.18 -0.35 -0.04 0.00 -0.30 0.00 0.00 42.92 42.04 2cm3 s ASP 29 CO 0.57 -0.22 -0.12 -0.36 -0.17 0.00 0.00 175.17 174.87 2cm3 s PHE 30 N 2.03 1.35 0.56 -5.34 0.08 -1.26 -5.13 117.98 110.27 2cm3 s PHE 30 Ca 0.05 -0.66 -0.21 0.00 0.12 0.00 0.00 56.93 56.23 2cm3 s PHE 30 Cb -0.12 -0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 41.59 2cm3 s PHE 30 CO -0.05 0.14 1.34 -2.14 -0.10 0.00 0.00 175.22 174.41 2cm3 s PRO 31 N -3.30 3.07 -0.37 0.24 0.02 -1.26 -4.86 135.00 128.55 2cm3 s PRO 31 Ca 0.14 2.20 0.13 0.00 0.02 0.00 0.00 61.00 63.49 2cm3 s PRO 31 Cb -0.01 -2.20 0.43 0.00 0.02 0.00 0.00 34.50 32.75 2cm3 s PRO 31 CO 0.02 -1.23 0.98 0.00 -0.33 0.00 0.00 177.00 176.45 2cm3 h ARG 33 N 2.87 -0.01 0.03 0.00 2.43 -1.92 -2.65 114.38 115.13 2cm3 h ARG 33 Ca 0.05 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2cm3 h ARG 33 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2cm3 h ARG 33 CO 0.62 0.01 -0.02 0.28 -1.51 0.00 0.00 179.97 179.36 2cm3 h VAL 34 N -0.02 1.02 -0.94 0.20 2.07 -1.92 -2.73 116.25 113.93 2cm3 h VAL 34 Ca -0.00 -0.18 0.17 0.00 0.82 0.00 0.00 66.70 67.51 2cm3 h VAL 34 Cb 0.02 1.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 2cm3 h VAL 34 CO 0.00 0.04 0.60 0.00 0.02 0.00 0.00 177.57 178.23 2cm3 h ALA 35 N 0.84 1.84 -0.01 1.67 0.00 -1.84 -0.74 119.26 121.01 2cm3 h ALA 35 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2cm3 h ALA 35 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2cm3 h ALA 35 CO 0.01 -0.12 0.00 1.63 0.00 0.00 0.00 179.25 180.77 2cm3 n LYS 36 N -4.61 1.17 -2.06 0.00 4.76 -1.00 -4.56 118.16 111.87 2cm3 n LYS 36 Ca 0.20 -0.25 -0.41 0.00 -2.87 0.00 0.00 58.31 54.98 2cm3 n LYS 36 Cb 0.53 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.96 4.40 0.36 -0.35 1.43 -0.29 -4.89 118.68 117.38 2cm3 s LEU 37 Ca 0.44 2.70 0.15 0.00 -1.03 0.00 0.00 54.13 56.39 2cm3 s LEU 37 Cb 0.21 -3.64 1.04 0.00 0.03 0.00 0.00 46.19 43.83 2cm3 s LEU 37 CO 0.35 -0.62 1.72 -0.65 0.23 0.00 0.00 176.35 177.38 2cm3 h PRO 38 N 3.98 0.42 0.00 1.29 0.11 -1.89 0.93 132.00 136.84 2cm3 h PRO 38 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2cm3 h PRO 38 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2cm3 h PRO 38 CO 0.70 0.28 0.00 1.57 -0.21 0.00 0.00 178.00 180.34 2cm3 h LYS 39 N 0.44 0.00 -0.04 1.05 2.10 -1.94 -2.70 116.57 115.47 2cm3 h LYS 39 Ca 0.66 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.31 2cm3 h LYS 39 Cb 1.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.83 2cm3 h LYS 39 CO -0.44 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.10 2cm3 n ASN 40 N -2.49 2.74 -0.35 7.07 5.03 0.31 -4.53 115.26 123.05 2cm3 n ASN 40 Ca 0.01 -1.86 0.15 0.00 0.87 0.00 0.00 54.58 53.74 2cm3 n ASN 40 Cb 0.20 -0.01 0.35 0.00 -1.02 0.00 0.00 39.78 39.29 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 4.05 0.68 -0.00 3.52 3.64 -1.43 0.21 116.57 127.24 2cm3 h LYS 41 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2cm3 h LYS 41 Cb 0.86 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2cm3 h LYS 41 CO 0.00 0.45 -0.02 0.09 -2.27 0.00 0.00 179.45 177.70 2cm3 n ASN 42 N -4.80 0.21 -0.99 4.20 3.02 -1.26 -3.14 115.26 112.49 2cm3 n ASN 42 Ca 0.25 -0.74 0.12 0.00 -0.03 0.00 0.00 54.58 54.17 2cm3 n ASN 42 Cb 0.63 -0.09 0.13 0.00 -0.61 0.00 0.00 39.78 39.85 2cm3 n ASN 42 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2cm3 n ARG 43 N -0.97 2.30 -4.45 3.52 1.74 0.74 -4.88 116.66 114.66 2cm3 n ARG 43 Ca 0.19 -2.00 -0.34 0.00 -0.77 0.00 0.00 57.85 54.94 2cm3 n ARG 43 Cb 0.19 -1.46 -0.13 0.00 -1.02 0.00 0.00 32.46 30.04 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 4.37 0.07 0.55 0.01 -1.18 -4.39 114.94 112.57 2cm3 s ASN 44 Ca 0.30 -0.26 -0.14 0.00 -0.71 0.00 0.00 52.86 52.05 2cm3 s ASN 44 Cb 0.20 -1.70 -0.24 0.00 0.41 0.00 0.00 41.25 39.92 2cm3 s ASN 44 CO 0.30 0.13 1.18 -0.09 -1.51 0.00 0.00 177.10 177.10 2cm3 h ARG 45 N 7.00 0.69 -4.44 -0.60 2.43 -1.89 -3.45 114.38 114.12 2cm3 h ARG 45 Ca -0.31 -0.76 -0.49 0.00 -0.81 0.00 0.00 59.98 57.61 2cm3 h ARG 45 Cb 1.19 0.22 -0.34 0.00 -0.42 0.00 0.00 29.97 30.63 2cm3 h ARG 45 CO 0.59 1.33 -0.81 0.71 -1.51 0.00 0.00 179.97 180.29 2cm3 s TYR 46 N -3.28 1.32 0.48 2.20 2.02 -1.26 -5.03 117.35 113.79 2cm3 s TYR 46 Ca -0.10 -0.47 0.14 0.00 -0.37 0.00 0.00 57.07 56.27 2cm3 s TYR 46 Cb 0.07 -0.99 1.14 0.00 -0.40 0.00 0.00 41.96 41.78 2cm3 s TYR 46 CO 0.92 -0.26 2.09 0.00 -1.57 0.00 0.00 175.55 176.73 2cm3 h ARG 47 N 7.03 0.06 -0.53 -0.62 3.08 -1.98 -2.31 114.38 119.11 2cm3 h ARG 47 Ca -0.32 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2cm3 h ARG 47 Cb 1.18 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2cm3 h ARG 47 CO 0.47 0.10 0.00 -0.40 -1.07 0.00 0.00 179.97 179.07 2cm3 n ASP 48 N -4.47 2.90 -3.75 7.04 5.75 -1.26 -4.71 116.55 118.05 2cm3 n ASP 48 Ca -0.02 -2.12 -0.30 0.00 -0.01 0.00 0.00 54.79 52.34 2cm3 n ASP 48 Cb 0.14 -0.38 -0.15 0.00 -1.03 0.00 0.00 41.12 39.69 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 -1.50 0.93 0.08 2.12 1.01 -0.87 -5.01 120.40 117.15 2cm3 s VAL 49 Ca 0.33 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.97 2cm3 s VAL 49 Cb 0.19 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2cm3 s VAL 49 CO 0.20 -0.62 -0.09 -0.44 0.00 0.00 0.00 175.10 174.15 2cm3 s SER 50 N 1.60 1.19 0.00 3.32 0.01 -1.26 -4.66 113.70 113.89 2cm3 s SER 50 Ca 0.09 -0.78 -0.25 0.00 1.31 0.00 0.00 55.95 56.32 2cm3 s SER 50 Cb -0.17 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 2cm3 s SER 50 CO -0.23 -0.30 0.78 -2.16 0.41 0.00 0.00 173.24 171.74 2cm3 s PRO 51 N -2.67 4.49 0.61 12.44 0.04 -1.26 -4.49 135.00 144.15 2cm3 s PRO 51 Ca 0.02 1.06 -0.19 0.00 0.04 0.00 0.00 61.00 61.93 2cm3 s PRO 51 Cb -0.03 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 2cm3 s PRO 51 CO -0.01 0.16 1.18 1.19 0.04 0.00 0.00 177.00 179.56 2cm3 n PHE 52 N 3.30 1.58 -0.23 0.56 3.72 -1.26 -4.71 117.46 120.42 2cm3 n PHE 52 Ca -0.01 0.43 -0.05 0.00 -0.05 0.00 0.00 57.45 57.78 2cm3 n PHE 52 Cb 0.51 -2.24 0.06 0.00 -0.94 0.00 0.00 39.48 36.87 2cm3 n PHE 52 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2cm3 h ASP 53 N 0.69 0.69 0.22 4.37 3.32 -1.40 -1.59 116.42 122.72 2cm3 h ASP 53 Ca -0.50 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 2cm3 h ASP 53 Cb 1.34 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 2cm3 h ASP 53 CO 0.53 0.49 -0.08 1.12 -1.72 0.00 0.00 179.24 179.58 2cm3 h HIS 54 N 0.82 0.00 -0.01 4.55 2.07 -1.90 -3.14 115.15 117.54 2cm3 h HIS 54 Ca 0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 2cm3 h HIS 54 Cb -0.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.95 2cm3 h HIS 54 CO -0.04 0.08 0.00 -1.13 -3.07 0.00 0.00 177.93 173.77 2cm3 n SER 55 N -3.78 1.38 -4.76 3.10 3.41 -1.11 -5.05 113.62 106.81 2cm3 n SER 55 Ca -0.02 -1.35 -0.37 0.00 -0.26 0.00 0.00 58.87 56.87 2cm3 n SER 55 Cb 0.18 -0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.36 3.39 -0.02 4.33 1.70 -0.61 -0.85 118.95 126.53 2cm3 s ARG 56 Ca 0.01 1.96 -0.30 0.00 -0.47 0.00 0.00 55.73 56.93 2cm3 s ARG 56 Cb 0.00 -2.27 -0.03 0.00 -0.57 0.00 0.00 34.95 32.09 2cm3 s ARG 56 CO 0.01 -0.91 0.97 0.42 -1.08 0.00 0.00 175.30 174.71 2cm3 s ILE 57 N -1.46 4.87 -0.20 4.99 -1.09 0.34 -4.80 121.20 123.85 2cm3 s ILE 57 Ca 0.69 2.03 -0.08 0.00 -2.23 0.00 0.00 60.65 61.06 2cm3 s ILE 57 Cb -0.33 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.20 2cm3 s ILE 57 CO 0.39 0.14 0.09 -0.54 -1.23 0.00 0.00 174.94 173.79 2cm3 s LYS 58 N 1.14 4.00 0.15 2.79 1.02 -1.26 -4.16 119.74 123.41 2cm3 s LYS 58 Ca 0.51 -0.33 -0.30 0.00 0.02 0.00 0.00 55.97 55.87 2cm3 s LYS 58 Cb -0.20 -3.30 -0.07 0.00 -0.52 0.00 0.00 37.83 33.74 2cm3 s LYS 58 CO 0.26 0.21 1.16 -0.51 -0.92 0.00 0.00 175.35 175.55 2cm3 s LEU 59 N 0.56 4.44 -0.22 3.17 1.43 0.23 -4.90 118.68 123.38 2cm3 s LEU 59 Ca 0.05 2.12 -0.05 0.00 -1.03 0.00 0.00 54.13 55.21 2cm3 s LEU 59 Cb -0.13 -3.60 -0.18 0.00 0.03 0.00 0.00 46.19 42.32 2cm3 s LEU 59 CO 0.01 -0.34 2.77 1.41 0.23 0.00 0.00 176.35 180.43 2cm3 n HIS 60 N 2.85 0.33 -4.11 0.29 8.25 -1.26 -4.55 115.22 117.02 2cm3 n HIS 60 Ca 0.05 -1.36 -0.15 0.00 -0.26 0.00 0.00 57.72 55.99 2cm3 n HIS 60 Cb 0.46 -1.43 -0.12 0.00 1.12 0.00 0.00 29.99 30.02 2cm3 n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2cm3 s GLN 61 N 1.76 0.65 0.02 -0.41 -2.07 -1.26 -5.07 119.66 113.28 2cm3 s GLN 61 Ca 0.51 -0.83 0.09 0.00 -1.82 0.00 0.00 55.36 53.30 2cm3 s GLN 61 Cb 0.22 -0.53 -0.23 0.00 -1.09 0.00 0.00 33.01 31.39 2cm3 s GLN 61 CO -0.01 0.11 0.90 0.93 -1.32 0.00 0.00 175.29 175.90 2cm3 h GLU 62 N 4.44 0.03 0.30 9.60 4.39 -2.02 -3.35 114.58 127.97 2cm3 h GLU 62 Ca -0.38 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 2cm3 h GLU 62 Cb 1.20 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2cm3 h GLU 62 CO 0.41 0.75 -0.21 -0.44 -1.16 0.00 0.00 179.01 178.35 2cm3 h ASP 63 N 0.01 -0.54 -2.98 1.42 3.32 -1.97 -3.43 116.42 112.25 2cm3 h ASP 63 Ca -0.19 0.03 -0.28 0.00 0.02 0.00 0.00 57.03 56.62 2cm3 h ASP 63 Cb 1.93 0.16 -0.35 0.00 0.22 0.00 0.00 39.33 41.29 2cm3 h ASP 63 CO 0.11 -0.30 -0.61 0.21 -1.72 0.00 0.00 179.24 176.92 2cm3 s ASN 64 N -3.00 0.72 0.00 6.45 3.84 -1.26 -5.02 114.94 116.67 2cm3 s ASN 64 Ca -0.08 0.34 0.22 0.00 0.21 0.00 0.00 52.86 53.55 2cm3 s ASN 64 Cb 0.01 0.39 0.64 0.00 -0.55 0.00 0.00 41.25 41.75 2cm3 s ASN 64 CO 0.25 -0.25 1.50 -0.90 -2.79 0.00 0.00 177.10 174.90 2cm3 n ASP 65 N 5.33 2.19 -4.75 -4.21 5.68 -1.26 -4.76 116.55 114.77 2cm3 n ASP 65 Ca -0.05 -1.80 -0.40 0.00 -0.50 0.00 0.00 54.79 52.04 2cm3 n ASP 65 Cb 0.50 -0.14 -0.05 0.00 -1.14 0.00 0.00 41.12 40.29 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 -1.72 3.81 -0.15 2.11 5.04 -1.26 0.75 117.35 125.93 2cm3 s TYR 66 Ca 0.34 1.64 -0.13 0.00 -2.44 0.00 0.00 57.07 56.48 2cm3 s TYR 66 Cb 0.19 -2.90 0.04 0.00 0.35 0.00 0.00 41.96 39.64 2cm3 s TYR 66 CO 0.28 0.31 0.40 -1.50 -1.34 0.00 0.00 175.55 173.70 2cm3 s ILE 67 N -0.33 -0.00 -1.11 3.14 2.07 -1.26 -4.90 121.20 118.81 2cm3 s ILE 67 Ca 0.41 0.01 -0.22 0.00 -1.41 0.00 0.00 60.65 59.44 2cm3 s ILE 67 Cb -0.22 -0.56 0.02 0.00 0.13 0.00 0.00 42.46 41.83 2cm3 s ILE 67 CO 0.26 0.00 1.69 0.21 -1.91 0.00 0.00 174.94 175.19 2cm3 s ASN 68 N 0.32 6.18 -0.15 4.50 3.84 -1.26 -4.55 114.94 123.82 2cm3 s ASN 68 Ca -0.01 -1.65 -0.15 0.00 0.21 0.00 0.00 52.86 51.26 2cm3 s ASN 68 Cb -0.03 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 38.13 2cm3 s ASN 68 CO -0.01 -1.82 0.42 0.00 -2.79 0.00 0.00 177.10 172.90 2cm3 s ALA 69 N 6.42 -1.04 -0.02 1.71 0.00 -1.26 -3.25 121.76 124.32 2cm3 s ALA 69 Ca 0.55 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.69 2cm3 s ALA 69 Cb -0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 2cm3 s ALA 69 CO 0.00 -0.21 -0.17 -1.12 0.00 0.00 0.00 175.76 174.26 2cm3 s SER 70 N 0.09 2.08 -0.31 0.00 0.01 0.14 -0.51 113.70 115.19 2cm3 s SER 70 Ca -0.01 -0.33 -0.23 0.00 1.31 0.00 0.00 55.95 56.69 2cm3 s SER 70 Cb -0.03 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2cm3 s SER 70 CO 0.01 0.20 0.78 -0.22 0.41 0.00 0.00 173.24 174.42 2cm3 s LEU 71 N -0.28 4.09 -0.47 2.44 2.96 -0.03 -1.01 118.68 126.38 2cm3 s LEU 71 Ca 0.04 0.63 -0.07 0.00 -0.22 0.00 0.00 54.13 54.50 2cm3 s LEU 71 Cb -0.08 -3.06 0.12 0.00 0.50 0.00 0.00 46.19 43.67 2cm3 s LEU 71 CO 0.00 -0.62 0.32 -0.63 -1.32 0.00 0.00 176.35 174.10 2cm3 s ILE 72 N 2.95 3.92 -0.43 6.68 1.09 0.12 -4.87 121.20 130.66 2cm3 s ILE 72 Ca 0.32 -1.97 -0.15 0.00 -1.10 0.00 0.00 60.65 57.75 2cm3 s ILE 72 Cb -0.14 -3.61 0.04 0.00 -1.06 0.00 0.00 42.46 37.69 2cm3 s ILE 72 CO 0.13 -0.76 0.34 -0.75 -0.10 0.00 0.00 174.94 173.79 2cm3 s LYS 73 N 1.16 2.98 -0.43 2.79 2.20 -1.26 -0.88 119.74 126.30 2cm3 s LYS 73 Ca 0.08 -1.12 -0.19 0.00 -0.36 0.00 0.00 55.97 54.37 2cm3 s LYS 73 Cb -0.24 -4.03 0.02 0.00 -1.51 0.00 0.00 37.83 32.07 2cm3 s LYS 73 CO -0.02 -0.85 0.55 -1.64 -0.36 0.00 0.00 175.35 173.03 2cm3 s MET 74 N 1.68 3.20 0.09 4.03 -1.94 -0.69 -4.98 119.30 120.70 2cm3 s MET 74 Ca 0.05 -0.53 -0.29 0.00 -1.71 0.00 0.00 55.69 53.21 2cm3 s MET 74 Cb -0.21 -3.96 -0.14 0.00 2.01 0.00 0.00 34.83 32.54 2cm3 s MET 74 CO 0.09 -0.94 1.65 0.93 -0.01 0.00 0.00 175.02 176.74 2cm3 h GLU 75 N 8.81 -0.56 -0.03 2.03 4.39 -1.97 -1.67 114.58 125.59 2cm3 h GLU 75 Ca -0.26 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 2cm3 h GLU 75 Cb 1.10 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2cm3 h GLU 75 CO 0.85 -0.37 0.00 1.49 -1.16 0.00 0.00 179.01 179.82 2cm3 h GLU 76 N -0.58 0.05 0.00 2.33 4.81 -1.97 -2.78 114.58 116.44 2cm3 h GLU 76 Ca -0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2cm3 h GLU 76 Cb 0.50 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2cm3 h GLU 76 CO 0.00 0.32 0.00 0.00 -0.73 0.00 0.00 179.01 178.61 2cm3 n ALA 77 N -2.25 1.63 -3.37 2.92 0.00 -1.24 -4.88 120.51 113.32 2cm3 n ALA 77 Ca -0.07 -0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 2cm3 n ALA 77 Cb 0.17 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.59 -5.75 -3.94 0.00 1.13 -0.66 -4.93 117.38 101.63 2cm3 n GLN 78 Ca 0.03 0.79 -0.15 0.00 -1.94 0.00 0.00 57.00 55.73 2cm3 n GLN 78 Cb 0.17 -5.70 -0.15 0.00 0.11 0.00 0.00 30.24 24.67 2cm3 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2cm3 s ARG 79 N -6.06 0.21 -0.08 -1.09 3.52 -1.03 -4.96 118.95 109.46 2cm3 s ARG 79 Ca 0.45 0.01 0.01 0.00 -0.13 0.00 0.00 55.73 56.08 2cm3 s ARG 79 Cb -0.21 -0.31 -0.03 0.00 -1.56 0.00 0.00 34.95 32.84 2cm3 s ARG 79 CO 0.56 -0.05 -0.08 -1.12 -0.81 0.00 0.00 175.30 173.80 2cm3 s SER 80 N 0.52 4.55 0.09 -2.12 0.01 -1.26 -1.71 113.70 113.79 2cm3 s SER 80 Ca -0.05 -0.07 0.06 0.00 1.31 0.00 0.00 55.95 57.20 2cm3 s SER 80 Cb -0.08 -1.20 -0.03 0.00 0.21 0.00 0.00 66.02 64.92 2cm3 s SER 80 CO -0.01 0.34 -0.15 -0.31 0.41 0.00 0.00 173.24 173.52 2cm3 s TYR 81 N -0.65 1.34 -0.25 2.43 1.51 -0.06 -3.86 117.35 117.82 2cm3 s TYR 81 Ca 0.10 -0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 55.64 2cm3 s TYR 81 Cb -0.11 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 41.02 2cm3 s TYR 81 CO 0.02 0.10 -0.06 0.42 -1.11 0.00 0.00 175.55 174.92 2cm3 s ILE 82 N -1.60 2.97 -0.14 2.71 1.01 -0.31 0.13 121.20 125.97 2cm3 s ILE 82 Ca 0.03 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.68 2cm3 s ILE 82 Cb -0.08 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2cm3 s ILE 82 CO 0.03 0.23 0.08 -0.76 0.00 0.00 0.00 174.94 174.52 2cm3 s LEU 83 N 1.35 4.02 0.20 2.97 1.02 -0.18 0.27 118.68 128.34 2cm3 s LEU 83 Ca 0.01 0.26 -0.11 0.00 0.02 0.00 0.00 54.13 54.31 2cm3 s LEU 83 Cb -0.16 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.06 2cm3 s LEU 83 CO -0.04 0.31 0.37 0.28 0.02 0.00 0.00 176.35 177.29 2cm3 s THR 84 N -0.42 0.03 0.60 5.49 -1.32 -0.59 0.23 115.64 119.66 2cm3 s THR 84 Ca 0.10 -1.39 -0.08 0.00 -1.21 0.00 0.00 61.69 59.11 2cm3 s THR 84 Cb -0.12 -2.02 -0.01 0.00 -1.51 0.00 0.00 72.50 68.84 2cm3 s THR 84 CO 0.02 -0.13 0.95 0.00 -2.21 0.00 0.00 174.62 173.24 2cm3 s GLN 85 N -4.00 3.21 0.13 7.08 -2.07 -1.20 -3.67 119.66 119.14 2cm3 s GLN 85 Ca 0.21 0.32 -0.31 0.00 -1.82 0.00 0.00 55.36 53.75 2cm3 s GLN 85 Cb 0.02 -2.20 -0.10 0.00 -1.09 0.00 0.00 33.01 29.64 2cm3 s GLN 85 CO 0.05 -0.63 1.64 0.20 -1.32 0.00 0.00 175.29 175.22 2cm3 s GLY 86 N -4.24 1.51 0.37 2.60 0.00 -0.69 -4.83 107.32 102.05 2cm3 s GLY 86 Ca 0.54 1.33 -0.25 0.00 0.00 0.00 0.00 44.72 46.34 2cm3 s GLY 86 CO 0.49 2.80 0.83 -1.05 0.00 0.00 0.00 173.10 176.17 2cm3 n PRO 87 N 4.77 1.01 -2.85 2.90 -0.02 -1.26 -4.76 135.00 134.80 2cm3 n PRO 87 Ca 0.15 0.36 -0.21 0.00 -2.02 0.00 0.00 63.50 61.78 2cm3 n PRO 87 Cb 0.39 -1.76 0.02 0.00 -0.02 0.00 0.00 33.50 32.14 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 0.66 3.49 0.36 2.45 1.43 -1.26 -1.52 118.68 124.29 2cm3 s LEU 88 Ca 0.62 0.05 0.11 0.00 -1.03 0.00 0.00 54.13 53.88 2cm3 s LEU 88 Cb -0.63 -2.95 0.90 0.00 0.03 0.00 0.00 46.19 43.54 2cm3 s LEU 88 CO 0.58 -0.90 1.83 -0.65 0.23 0.00 0.00 176.35 177.43 2cm3 h PRO 89 N 0.29 0.59 -0.01 1.29 0.11 -1.95 -0.10 132.00 132.22 2cm3 h PRO 89 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2cm3 h PRO 89 Cb 1.28 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2cm3 h PRO 89 CO 0.53 0.39 -0.06 0.27 -0.21 0.00 0.00 178.00 178.92 2cm3 n ASN 90 N -4.61 1.51 -0.30 -2.05 6.94 -1.26 -4.25 115.26 111.24 2cm3 n ASN 90 Ca 0.20 -1.41 0.04 0.00 -0.02 0.00 0.00 54.58 53.39 2cm3 n ASN 90 Cb 0.60 0.03 0.09 0.00 -2.36 0.00 0.00 39.78 38.15 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 0.09 1.24 -0.16 5.53 -2.24 -0.06 -4.67 114.28 114.01 2cm3 n THR 91 Ca 0.17 -1.25 -0.04 0.00 -2.27 0.00 0.00 64.05 60.66 2cm3 n THR 91 Cb 0.37 0.33 0.15 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.00 0.65 1.01 0.00 0.00 -1.90 -1.91 103.07 101.92 2cm3 h GLY 93 Ca 0.18 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2cm3 h GLY 93 CO 0.00 0.53 0.40 0.45 0.00 0.00 0.00 176.54 177.92 2cm3 h HIS 94 N 0.34 1.02 -0.14 5.60 -0.00 -1.80 -0.22 115.15 119.95 2cm3 h HIS 94 Ca 0.06 -0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.43 2cm3 h HIS 94 Cb 0.66 -0.32 -0.03 0.00 -0.00 0.00 0.00 27.41 27.72 2cm3 h HIS 94 CO 0.06 0.72 -0.05 0.35 -0.00 0.00 0.00 177.93 179.01 2cm3 h PHE 95 N 1.01 -0.11 -0.05 2.45 3.04 -0.44 -1.56 116.94 121.29 2cm3 h PHE 95 Ca 0.26 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 62.08 2cm3 h PHE 95 Cb 0.05 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 2cm3 h PHE 95 CO -0.00 -0.08 -0.61 -1.49 -2.02 0.00 0.00 178.31 174.11 2cm3 h TRP 96 N -0.03 0.22 -0.82 0.41 4.06 -1.03 -2.47 115.95 116.29 2cm3 h TRP 96 Ca 0.07 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 60.94 2cm3 h TRP 96 Cb 0.13 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.21 2cm3 h TRP 96 CO -0.19 0.74 0.51 1.49 -3.56 0.00 0.00 178.44 177.43 2cm3 h GLU 97 N 0.12 1.10 -0.12 0.49 4.81 -0.73 -0.37 114.58 119.89 2cm3 h GLU 97 Ca -0.01 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2cm3 h GLU 97 Cb 1.11 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 2cm3 h GLU 97 CO 0.09 0.75 0.03 1.98 -0.73 0.00 0.00 179.01 181.13 2cm3 h MET 98 N 1.12 0.19 -0.58 1.92 4.05 -1.03 0.23 114.93 120.83 2cm3 h MET 98 Ca 0.30 -0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.74 2cm3 h MET 98 Cb -0.08 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.64 2cm3 h MET 98 CO -0.06 0.37 0.27 0.28 0.23 0.00 0.00 176.91 177.99 2cm3 h VAL 99 N -0.01 0.88 0.48 -5.77 2.07 -1.10 0.23 116.25 113.03 2cm3 h VAL 99 Ca 0.04 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2cm3 h VAL 99 Cb 0.26 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2cm3 h VAL 99 CO 0.00 0.09 -0.23 -0.25 0.02 0.00 0.00 177.57 177.20 2cm3 h TRP 100 N 0.49 -0.60 -1.00 1.57 2.91 -0.86 -1.80 115.95 116.67 2cm3 h TRP 100 Ca 0.27 -0.01 0.19 0.00 1.13 0.00 0.00 58.89 60.47 2cm3 h TRP 100 Cb 0.25 0.20 -0.10 0.00 -0.51 0.00 0.00 29.16 29.00 2cm3 h TRP 100 CO -0.12 -0.37 0.61 0.93 -1.03 0.00 0.00 178.44 178.46 2cm3 h GLU 101 N -0.74 0.73 -0.01 2.65 5.08 -0.45 0.12 114.58 121.97 2cm3 h GLU 101 Ca -0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2cm3 h GLU 101 Cb 0.50 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2cm3 h GLU 101 CO 0.11 0.48 -0.02 1.04 -1.00 0.00 0.00 179.01 179.63 2cm3 n GLN 102 N -4.74 1.20 -2.59 2.33 1.13 0.81 -4.92 117.38 110.60 2cm3 n GLN 102 Ca 0.23 -0.40 -0.19 0.00 -1.94 0.00 0.00 57.00 54.70 2cm3 n GLN 102 Cb 0.57 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.43 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 -0.56 -2.53 -1.16 -1.09 5.02 0.42 -4.09 118.16 114.18 2cm3 n LYS 103 Ca 0.21 0.84 -0.33 0.00 -2.02 0.00 0.00 58.31 57.01 2cm3 n LYS 103 Cb 0.23 -5.53 0.12 0.00 -0.02 0.00 0.00 35.03 29.83 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 -2.21 3.82 -0.08 4.39 0.01 -0.77 -1.94 113.70 116.92 2cm3 s SER 104 Ca 0.08 2.21 0.05 0.00 1.31 0.00 0.00 55.95 59.60 2cm3 s SER 104 Cb -0.04 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.54 2cm3 s SER 104 CO 0.10 -2.51 -0.01 -1.14 0.41 0.00 0.00 173.24 170.09 2cm3 n ARG 105 N -3.37 1.96 -4.30 12.44 3.00 -1.26 -4.82 116.66 120.30 2cm3 n ARG 105 Ca 0.12 0.02 -0.21 0.00 -0.00 0.00 0.00 57.85 57.77 2cm3 n ARG 105 Cb 0.51 -1.20 -0.11 0.00 0.00 0.00 0.00 32.46 31.66 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 -4.27 1.30 -0.11 5.14 0.00 -1.26 -1.75 107.32 106.37 2cm3 s GLY 106 Ca -0.07 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.26 2cm3 s GLY 106 CO 0.29 -1.44 -0.10 0.14 0.00 0.00 0.00 173.10 171.99 2cm3 s VAL 107 N -1.88 1.14 -0.31 1.40 1.01 -0.06 -1.77 120.40 119.93 2cm3 s VAL 107 Ca 0.12 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 2cm3 s VAL 107 Cb -0.06 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 2cm3 s VAL 107 CO 0.05 0.38 0.13 -0.69 0.00 0.00 0.00 175.10 174.98 2cm3 s VAL 108 N 1.42 4.42 -0.22 2.92 1.01 0.10 -0.51 120.40 129.55 2cm3 s VAL 108 Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 2cm3 s VAL 108 Cb -0.13 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2cm3 s VAL 108 CO -0.06 0.07 0.02 -0.32 0.00 0.00 0.00 175.10 174.81 2cm3 s MET 109 N 1.58 3.61 -0.06 2.72 0.00 0.52 -0.93 119.30 126.74 2cm3 s MET 109 Ca 0.04 -0.52 0.13 0.00 0.00 0.00 0.00 55.69 55.34 2cm3 s MET 109 Cb -0.17 -3.14 0.40 0.00 0.00 0.00 0.00 34.83 31.92 2cm3 s MET 109 CO 0.05 -0.06 1.33 1.28 0.00 0.00 0.00 175.02 177.62 2cm3 n LEU 110 N 4.48 3.34 -4.17 4.11 4.77 -0.61 -0.50 117.00 128.42 2cm3 n LEU 110 Ca -0.17 -2.31 -0.11 0.00 -0.03 0.00 0.00 56.01 53.40 2cm3 n LEU 110 Cb 0.52 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 2cm3 n LEU 110 CO 0.31 0.73 -0.36 0.54 -1.33 0.00 0.00 177.39 177.28 2cm3 s ASN 111 N -1.25 0.97 0.16 -1.43 4.22 -1.26 -4.78 114.94 111.58 2cm3 s ASN 111 Ca 0.31 -1.06 -0.04 0.00 -2.14 0.00 0.00 52.86 49.92 2cm3 s ASN 111 Cb 0.20 0.14 -0.05 0.00 1.28 0.00 0.00 41.25 42.81 2cm3 s ASN 111 CO 0.15 -0.54 0.39 -0.13 -2.04 0.00 0.00 177.10 174.94 2cm3 s ARG 112 N -3.89 3.61 0.49 3.55 0.52 -1.26 -4.90 118.95 117.07 2cm3 s ARG 112 Ca 0.15 -0.11 0.25 0.00 -0.52 0.00 0.00 55.73 55.51 2cm3 s ARG 112 Cb 0.06 -2.83 1.31 0.00 0.52 0.00 0.00 34.95 34.01 2cm3 s ARG 112 CO -0.03 0.44 1.88 0.28 0.02 0.00 0.00 175.30 177.89 2cm3 h VAL 113 N 1.94 0.61 -3.25 3.52 2.07 -1.95 -3.39 116.25 115.79 2cm3 h VAL 113 Ca -0.46 -0.06 -0.51 0.00 0.82 0.00 0.00 66.70 66.49 2cm3 h VAL 113 Cb 1.17 0.42 -0.36 0.00 -1.52 0.00 0.00 31.29 31.00 2cm3 h VAL 113 CO 0.72 0.03 -0.80 -0.32 0.02 0.00 0.00 177.57 177.22 2cm3 s MET 114 N -5.17 1.48 -0.05 1.57 -2.45 -1.26 -2.11 119.30 111.30 2cm3 s MET 114 Ca -0.06 -0.26 -0.05 0.00 -1.25 0.00 0.00 55.69 54.07 2cm3 s MET 114 Cb 0.22 -1.47 0.01 0.00 1.25 0.00 0.00 34.83 34.84 2cm3 s MET 114 CO 0.78 -0.19 0.14 -1.21 1.05 0.00 0.00 175.02 175.58 2cm3 s GLU 115 N 1.43 0.16 -1.23 4.11 2.02 -0.91 -4.83 118.70 119.45 2cm3 s GLU 115 Ca -0.00 0.20 -0.05 0.00 0.02 0.00 0.00 54.97 55.14 2cm3 s GLU 115 Cb -0.13 0.06 0.03 0.00 0.10 0.00 0.00 34.13 34.19 2cm3 s GLU 115 CO -0.05 -0.03 0.31 1.63 0.02 0.00 0.00 175.26 177.14 2cm3 n LYS 116 N 3.07 -3.13 0.00 1.61 5.02 -1.26 -1.75 118.16 121.72 2cm3 n LYS 116 Ca -0.13 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2cm3 n LYS 116 Cb 0.59 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 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 -1.07 1.53 3.76 0.72 0.00 -1.26 -4.99 105.19 103.88 2cm3 n GLY 117 Ca -0.08 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 2cm3 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cm3 s SER 118 N 0.00 6.07 -0.54 1.61 0.01 -0.72 -4.94 113.70 115.19 2cm3 s SER 118 Ca 0.00 2.64 -0.28 0.00 1.31 0.00 0.00 55.95 59.62 2cm3 s SER 118 Cb 0.00 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.62 2cm3 s SER 118 CO 0.00 -1.02 1.31 -0.22 0.41 0.00 0.00 173.24 173.73 2cm3 s LEU 119 N -2.74 3.47 0.00 2.44 2.96 -1.26 -2.15 118.68 121.40 2cm3 s LEU 119 Ca 0.61 0.33 0.19 0.00 -0.22 0.00 0.00 54.13 55.04 2cm3 s LEU 119 Cb -0.37 -3.22 0.53 0.00 0.50 0.00 0.00 46.19 43.62 2cm3 s LEU 119 CO 0.47 -1.55 1.44 0.29 -1.32 0.00 0.00 176.35 175.68 2cm3 n LYS 120 N 8.41 2.24 -3.65 1.98 4.76 -0.90 -4.91 118.16 126.11 2cm3 n LYS 120 Ca 0.12 -1.91 -0.01 0.00 -2.87 0.00 0.00 58.31 53.64 2cm3 n LYS 120 Cb 0.49 -1.45 -0.07 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 0.59 2.15 -1.29 0.00 0.00 -0.57 -4.82 121.76 117.81 2cm3 s ALA 122 Ca -0.01 0.38 -0.15 0.00 0.00 0.00 0.00 51.96 52.18 2cm3 s ALA 122 Cb -0.04 -3.32 0.12 0.00 0.00 0.00 0.00 23.12 19.88 2cm3 s ALA 122 CO -0.12 -1.88 1.72 0.94 0.00 0.00 0.00 175.76 176.42 2cm3 n GLN 123 N -3.48 3.28 0.00 0.00 -0.06 -1.26 -4.75 117.38 111.10 2cm3 n GLN 123 Ca 0.10 -3.42 0.10 0.00 -2.00 0.00 0.00 57.00 51.78 2cm3 n GLN 123 Cb 0.53 -3.22 0.51 0.00 -4.06 0.00 0.00 30.24 23.99 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 6.40 0.00 -4.23 3.69 0.18 -1.26 -4.77 117.16 117.16 2cm3 n TYR 124 Ca 0.44 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 60.04 2cm3 n TYR 124 Cb 0.42 -0.37 -0.11 0.00 -0.38 0.00 0.00 39.34 38.90 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 -2.74 1.38 0.13 -3.48 -2.14 -1.26 -5.03 118.94 105.80 2cm3 s TRP 125 Ca 0.16 -0.54 -0.31 0.00 2.66 0.00 0.00 56.10 58.07 2cm3 s TRP 125 Cb 0.14 -0.73 -0.08 0.00 -3.10 0.00 0.00 33.47 29.70 2cm3 s TRP 125 CO 0.35 0.13 1.41 -1.25 -2.66 0.00 0.00 176.95 174.93 2cm3 s PRO 126 N -2.51 4.31 0.30 3.25 0.04 -1.26 -4.92 135.00 134.20 2cm3 s PRO 126 Ca 0.07 2.12 0.20 0.00 0.04 0.00 0.00 61.00 63.43 2cm3 s PRO 126 Cb -0.06 -3.22 0.13 0.00 0.04 0.00 0.00 34.50 31.39 2cm3 s PRO 126 CO 0.03 -0.44 1.34 1.96 0.04 0.00 0.00 177.00 179.93 2cm3 h GLN 127 N 6.61 0.00 -5.14 4.56 4.20 -1.96 -3.43 115.11 119.94 2cm3 h GLN 127 Ca -0.43 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 57.62 2cm3 h GLN 127 Cb 1.21 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 28.68 2cm3 h GLN 127 CO 0.86 0.17 -0.80 0.15 -0.67 0.00 0.00 178.83 178.53 2cm3 s LYS 128 N -3.15 3.20 0.26 1.46 3.01 -1.26 -5.01 119.74 118.26 2cm3 s LYS 128 Ca 0.03 -0.74 -0.04 0.00 -1.01 0.00 0.00 55.97 54.21 2cm3 s LYS 128 Cb 0.07 -2.67 0.53 0.00 -1.01 0.00 0.00 37.83 34.75 2cm3 s LYS 128 CO 0.73 -0.05 1.64 0.93 0.51 0.00 0.00 175.35 179.12 2cm3 h GLU 129 N 7.52 0.15 0.00 1.68 3.07 -1.88 -0.02 114.58 125.10 2cm3 h GLU 129 Ca -0.36 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 2cm3 h GLU 129 Cb 1.18 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 2cm3 h GLU 129 CO 0.59 0.10 0.00 -0.85 -1.40 0.00 0.00 179.01 177.44 2cm3 n GLU 130 N -5.29 0.67 -3.68 2.33 0.00 -1.26 -4.19 120.64 109.22 2cm3 n GLU 130 Ca 0.16 0.01 -0.27 0.00 0.00 0.00 0.00 57.16 57.06 2cm3 n GLU 130 Cb 0.54 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.37 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 -1.12 1.67 -1.04 3.44 5.02 -0.02 -5.10 118.16 121.01 2cm3 n LYS 131 Ca 0.18 -4.26 -0.30 0.00 -2.02 0.00 0.00 58.31 51.91 2cm3 n LYS 131 Cb 0.15 -2.12 0.15 0.00 -0.02 0.00 0.00 35.03 33.18 2cm3 n LYS 131 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2cm3 s GLU 132 N -1.45 1.16 -0.04 1.97 1.03 -1.26 -4.60 118.70 115.51 2cm3 s GLU 132 Ca 0.30 1.04 0.01 0.00 0.03 0.00 0.00 54.97 56.36 2cm3 s GLU 132 Cb 0.03 -1.78 -0.03 0.00 -0.80 0.00 0.00 34.13 31.54 2cm3 s GLU 132 CO -0.14 -2.37 -0.05 -1.64 -1.33 0.00 0.00 175.26 169.73 2cm3 s MET 133 N -4.81 2.71 -0.13 -4.83 -1.94 0.15 -4.93 119.30 105.52 2cm3 s MET 133 Ca 0.64 -0.60 0.03 0.00 -1.71 0.00 0.00 55.69 54.05 2cm3 s MET 133 Cb -0.20 -2.59 0.01 0.00 2.01 0.00 0.00 34.83 34.06 2cm3 s MET 133 CO 0.58 0.64 -0.21 0.42 -0.01 0.00 0.00 175.02 176.44 2cm3 s ILE 134 N -0.92 1.95 -0.60 2.53 1.09 -1.26 0.46 121.20 124.43 2cm3 s ILE 134 Ca 0.15 -0.92 -0.11 0.00 -1.10 0.00 0.00 60.65 58.68 2cm3 s ILE 134 Cb -0.11 -1.72 0.15 0.00 -1.06 0.00 0.00 42.46 39.72 2cm3 s ILE 134 CO 0.05 0.53 0.50 -0.36 -0.10 0.00 0.00 174.94 175.56 2cm3 s PHE 135 N 0.79 3.48 0.32 3.97 0.08 -0.22 -4.94 117.98 121.46 2cm3 s PHE 135 Ca -0.09 -1.93 0.02 0.00 0.12 0.00 0.00 56.93 55.05 2cm3 s PHE 135 Cb -0.16 -3.60 0.55 0.00 -0.57 0.00 0.00 43.02 39.25 2cm3 s PHE 135 CO -0.00 -0.97 1.91 0.93 -0.10 0.00 0.00 175.22 176.99 2cm3 h GLU 136 N 8.13 0.75 0.00 0.44 5.08 -1.97 0.15 114.58 127.16 2cm3 h GLU 136 Ca -0.11 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 2cm3 h GLU 136 Cb 1.05 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2cm3 h GLU 136 CO 0.84 0.61 -0.16 0.38 -1.00 0.00 0.00 179.01 179.69 2cm3 h ASP 137 N 0.74 0.00 -0.06 1.42 2.03 -1.97 -3.03 116.42 115.56 2cm3 h ASP 137 Ca 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 2cm3 h ASP 137 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 2cm3 h ASP 137 CO -0.02 0.16 0.00 0.35 -1.03 0.00 0.00 179.24 178.70 2cm3 n THR 138 N -3.62 0.70 -3.96 1.15 -2.24 -0.93 -5.02 114.28 100.34 2cm3 n THR 138 Ca -0.01 -0.85 -0.28 0.00 -2.27 0.00 0.00 64.05 60.64 2cm3 n THR 138 Cb 0.28 0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 2cm3 n THR 138 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2cm3 n ASN 139 N -0.14 -1.88 -4.38 3.42 5.03 0.47 -4.93 115.26 112.84 2cm3 n ASN 139 Ca 0.02 -0.94 -0.25 0.00 0.87 0.00 0.00 54.58 54.28 2cm3 n ASN 139 Cb 0.22 -3.30 -0.12 0.00 -1.02 0.00 0.00 39.78 35.57 2cm3 n ASN 139 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2cm3 s LEU 140 N -7.04 2.42 0.04 3.41 1.43 -1.05 -1.18 118.68 116.71 2cm3 s LEU 140 Ca 0.28 -0.84 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2cm3 s LEU 140 Cb -0.15 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 2cm3 s LEU 140 CO 0.87 0.07 -0.26 -0.75 0.23 0.00 0.00 176.35 176.52 2cm3 s LYS 141 N -2.61 1.81 -0.06 1.70 2.20 -0.32 -1.06 119.74 121.41 2cm3 s LYS 141 Ca 0.18 -1.08 0.01 0.00 -0.36 0.00 0.00 55.97 54.72 2cm3 s LYS 141 Cb -0.08 -1.95 0.02 0.00 -1.51 0.00 0.00 37.83 34.32 2cm3 s LYS 141 CO 0.08 0.51 -0.04 -1.17 -0.36 0.00 0.00 175.35 174.37 2cm3 s LEU 142 N -1.16 1.20 -0.07 5.43 2.96 0.17 -1.44 118.68 125.78 2cm3 s LEU 142 Ca 0.11 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 2cm3 s LEU 142 Cb -0.10 -0.50 0.01 0.00 0.50 0.00 0.00 46.19 46.10 2cm3 s LEU 142 CO 0.02 -0.08 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.94 2cm3 s THR 143 N 1.16 1.25 -0.12 3.68 2.01 -0.25 0.30 115.64 123.68 2cm3 s THR 143 Ca -0.07 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 2cm3 s THR 143 Cb -0.14 -1.13 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 2cm3 s THR 143 CO -0.01 0.38 1.15 -0.22 -0.69 0.00 0.00 174.62 175.22 2cm3 s LEU 144 N 0.57 4.22 -0.24 4.42 2.96 -1.26 -0.50 118.68 128.86 2cm3 s LEU 144 Ca -0.14 1.66 -0.04 0.00 -0.22 0.00 0.00 54.13 55.39 2cm3 s LEU 144 Cb -0.16 -3.55 -0.18 0.00 0.50 0.00 0.00 46.19 42.81 2cm3 s LEU 144 CO 0.04 -0.61 -0.13 -0.38 -1.32 0.00 0.00 176.35 173.96 2cm3 n ILE 145 N 4.88 1.55 -3.71 6.68 2.08 0.11 -4.37 119.36 126.58 2cm3 n ILE 145 Ca 0.11 -0.52 -0.10 0.00 0.56 0.00 0.00 62.75 62.80 2cm3 n ILE 145 Cb 0.46 -1.60 -0.05 0.00 -0.75 0.00 0.00 39.64 37.71 2cm3 n ILE 145 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2cm3 s SER 146 N -6.82 -0.18 -0.26 4.38 0.15 -0.90 -4.99 113.70 105.09 2cm3 s SER 146 Ca -0.33 -0.44 -0.02 0.00 0.70 0.00 0.00 55.95 55.86 2cm3 s SER 146 Cb 0.10 0.48 0.14 0.00 -1.71 0.00 0.00 66.02 65.03 2cm3 s SER 146 CO 0.61 -0.88 0.41 -0.70 1.20 0.00 0.00 173.24 173.87 2cm3 s GLU 147 N -3.84 0.38 -0.57 5.44 2.12 -1.26 -1.53 118.70 119.44 2cm3 s GLU 147 Ca 0.06 0.54 -0.11 0.00 0.36 0.00 0.00 54.97 55.83 2cm3 s GLU 147 Cb 0.02 -0.33 0.15 0.00 0.26 0.00 0.00 34.13 34.22 2cm3 s GLU 147 CO -0.09 -0.69 0.47 0.34 -0.54 0.00 0.00 175.26 174.75 2cm3 s ASP 148 N 2.59 5.94 -0.16 -1.70 -1.08 -0.28 -4.99 116.67 116.98 2cm3 s ASP 148 Ca 0.13 -2.16 -0.25 0.00 -0.52 0.00 0.00 52.55 49.75 2cm3 s ASP 148 Cb -0.15 -2.07 -0.01 0.00 -1.46 0.00 0.00 42.92 39.23 2cm3 s ASP 148 CO -0.18 -0.66 0.84 -0.63 0.52 0.00 0.00 175.17 175.05 2cm3 s ILE 149 N 0.99 4.88 0.46 4.11 1.01 -1.26 -1.75 121.20 129.64 2cm3 s ILE 149 Ca 0.09 1.65 0.05 0.00 0.00 0.00 0.00 60.65 62.44 2cm3 s ILE 149 Cb -0.23 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 2cm3 s ILE 149 CO -0.02 0.03 0.09 -0.54 0.00 0.00 0.00 174.94 174.50 2cm3 s LYS 150 N 2.11 2.14 0.31 2.79 1.02 0.53 -4.99 119.74 123.64 2cm3 s LYS 150 Ca 0.39 -2.14 -0.01 0.00 0.02 0.00 0.00 55.97 54.23 2cm3 s LYS 150 Cb -0.17 -1.74 0.49 0.00 -0.52 0.00 0.00 37.83 35.90 2cm3 s LYS 150 CO 0.13 -0.24 1.96 0.66 -0.92 0.00 0.00 175.35 176.94 2cm3 h SER 151 N 1.42 0.86 -0.06 2.83 4.64 -2.03 -3.22 113.55 118.00 2cm3 h SER 151 Ca -0.43 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2cm3 h SER 151 Cb 1.28 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2cm3 h SER 151 CO 0.73 0.65 0.00 0.00 -0.87 0.00 0.00 176.83 177.35 2cm3 n TYR 152 N -4.40 0.07 -3.56 4.77 4.11 -1.26 -4.92 117.16 111.98 2cm3 n TYR 152 Ca 0.08 -0.17 -0.06 0.00 -0.00 0.00 0.00 57.90 57.75 2cm3 n TYR 152 Cb 0.06 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.34 39.36 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 -0.63 -0.23 -0.06 -3.48 1.13 -1.22 -2.73 117.35 110.14 2cm3 s TYR 153 Ca 0.08 0.12 0.04 0.00 -1.41 0.00 0.00 57.07 55.89 2cm3 s TYR 153 Cb 0.05 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.45 2cm3 s TYR 153 CO 0.07 -0.41 -0.16 0.99 -2.51 0.00 0.00 175.55 173.53 2cm3 s THR 154 N -2.80 1.39 -0.18 -3.49 2.01 -0.34 -0.35 115.64 111.87 2cm3 s THR 154 Ca 0.08 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.39 2cm3 s THR 154 Cb -0.01 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 2cm3 s THR 154 CO -0.06 0.41 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.51 2cm3 s VAL 155 N 0.26 3.33 0.19 3.82 1.01 -0.72 -0.60 120.40 127.69 2cm3 s VAL 155 Ca -0.09 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.45 2cm3 s VAL 155 Cb -0.13 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2cm3 s VAL 155 CO 0.03 0.47 -0.09 -0.13 0.00 0.00 0.00 175.10 175.38 2cm3 s ARG 156 N 0.89 2.06 -0.21 2.72 0.52 -0.05 -1.13 118.95 123.75 2cm3 s ARG 156 Ca -0.02 -1.31 -0.00 0.00 -0.52 0.00 0.00 55.73 53.88 2cm3 s ARG 156 Cb -0.15 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.21 2cm3 s ARG 156 CO 0.01 0.42 -0.13 -1.14 0.02 0.00 0.00 175.30 174.48 2cm3 s GLN 157 N -2.94 2.98 0.18 3.54 0.74 -0.58 -1.00 119.66 122.58 2cm3 s GLN 157 Ca 0.26 -0.86 0.10 0.00 0.05 0.00 0.00 55.36 54.91 2cm3 s GLN 157 Cb -0.08 -2.78 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 2cm3 s GLN 157 CO 0.15 -0.28 -0.16 -0.51 -0.55 0.00 0.00 175.29 173.94 2cm3 s LEU 158 N 1.32 2.72 -0.18 3.68 1.43 0.26 0.03 118.68 127.96 2cm3 s LEU 158 Ca 0.03 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2cm3 s LEU 158 Cb -0.15 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.64 2cm3 s LEU 158 CO -0.08 0.12 -0.17 -0.70 0.23 0.00 0.00 176.35 175.75 2cm3 s GLU 159 N -2.69 3.09 -0.15 1.70 2.12 0.34 -0.65 118.70 122.48 2cm3 s GLU 159 Ca 0.22 -0.79 -0.04 0.00 0.36 0.00 0.00 54.97 54.72 2cm3 s GLU 159 Cb -0.09 -2.64 -0.03 0.00 0.26 0.00 0.00 34.13 31.63 2cm3 s GLU 159 CO 0.12 -0.15 0.01 -1.17 -0.54 0.00 0.00 175.26 173.53 2cm3 s LEU 160 N 1.20 3.54 -0.06 2.70 2.96 -0.48 -1.09 118.68 127.44 2cm3 s LEU 160 Ca 0.02 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 2cm3 s LEU 160 Cb -0.14 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.72 2cm3 s LEU 160 CO -0.08 0.23 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.44 2cm3 s GLU 161 N 0.03 0.90 -0.29 1.98 2.12 -0.52 -0.86 118.70 122.06 2cm3 s GLU 161 Ca 0.03 -0.08 -0.29 0.00 0.36 0.00 0.00 54.97 54.99 2cm3 s GLU 161 Cb -0.13 -1.01 0.00 0.00 0.26 0.00 0.00 34.13 33.25 2cm3 s GLU 161 CO 0.02 -0.17 1.24 1.21 -0.54 0.00 0.00 175.26 177.02 2cm3 s ASN 162 N 1.34 6.77 0.57 -1.70 3.84 -0.48 -1.17 114.94 124.11 2cm3 s ASN 162 Ca -0.04 1.22 0.34 0.00 0.21 0.00 0.00 52.86 54.59 2cm3 s ASN 162 Cb -0.14 -2.54 1.72 0.00 -0.55 0.00 0.00 41.25 39.75 2cm3 s ASN 162 CO -0.02 -0.99 2.14 -0.07 -2.79 0.00 0.00 177.10 175.37 2cm3 h LEU 163 N 10.53 0.00 0.12 3.21 3.38 -1.47 0.61 115.31 131.70 2cm3 h LEU 163 Ca -0.25 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.56 2cm3 h LEU 163 Cb 1.09 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.86 2cm3 h LEU 163 CO 1.03 0.05 -0.71 0.74 0.09 0.00 0.00 178.44 179.64 2cm3 h THR 164 N 0.00 1.55 0.00 0.22 2.02 -1.90 -3.37 112.91 111.43 2cm3 h THR 164 Ca -0.00 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.67 2cm3 h THR 164 Cb 0.28 3.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 2cm3 h THR 164 CO 0.01 0.70 -1.25 0.35 0.37 0.00 0.00 175.52 175.70 2cm3 n THR 165 N -4.19 0.45 -1.06 3.16 -2.24 -1.15 -4.95 114.28 104.30 2cm3 n THR 165 Ca -0.13 -0.53 -0.02 0.00 -2.27 0.00 0.00 64.05 61.09 2cm3 n THR 165 Cb 0.78 -0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 2cm3 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cm3 n GLN 166 N -2.55 -0.92 -2.62 -0.78 3.00 0.21 -4.98 117.38 108.73 2cm3 n GLN 166 Ca -0.01 0.37 -0.37 0.00 -0.01 0.00 0.00 57.00 56.99 2cm3 n GLN 166 Cb 0.55 -4.15 -0.05 0.00 0.00 0.00 0.00 30.24 26.60 2cm3 n GLN 166 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2cm3 s GLU 167 N -1.37 4.32 0.08 -1.09 2.12 -1.23 -4.84 118.70 116.69 2cm3 s GLU 167 Ca 0.00 1.46 0.06 0.00 0.36 0.00 0.00 54.97 56.85 2cm3 s GLU 167 Cb 0.00 -2.65 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 2cm3 s GLU 167 CO 0.00 0.01 -0.15 0.95 -0.54 0.00 0.00 175.26 175.53 2cm3 s THR 168 N -1.63 1.23 0.02 -1.70 -4.23 -1.26 -1.39 115.64 106.67 2cm3 s THR 168 Ca 0.55 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 2cm3 s THR 168 Cb -0.21 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.45 2cm3 s THR 168 CO 0.27 -0.19 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.00 2cm3 s ARG 169 N -1.76 0.30 -0.26 3.99 0.52 -0.04 -4.98 118.95 116.72 2cm3 s ARG 169 Ca -0.00 -0.56 -0.16 0.00 -0.52 0.00 0.00 55.73 54.48 2cm3 s ARG 169 Cb -0.10 0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.39 2cm3 s ARG 169 CO 0.03 -0.03 0.42 -2.00 0.02 0.00 0.00 175.30 173.73 2cm3 s GLU 170 N -1.32 4.04 -0.12 3.54 2.12 -1.26 -1.38 118.70 124.31 2cm3 s GLU 170 Ca -0.14 0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.29 2cm3 s GLU 170 Cb -0.09 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 2cm3 s GLU 170 CO -0.01 -0.29 0.01 0.42 -0.54 0.00 0.00 175.26 174.86 2cm3 s ILE 171 N 2.10 4.41 -0.22 -3.70 -1.09 0.18 -4.92 121.20 117.96 2cm3 s ILE 171 Ca 0.17 -0.20 -0.10 0.00 -2.23 0.00 0.00 60.65 58.29 2cm3 s ILE 171 Cb -0.16 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.78 2cm3 s ILE 171 CO 0.10 0.56 0.13 -0.76 -1.23 0.00 0.00 174.94 173.74 2cm3 s LEU 172 N -0.45 4.07 -0.34 2.97 1.43 -0.72 -0.57 118.68 125.07 2cm3 s LEU 172 Ca 0.08 0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 2cm3 s LEU 172 Cb -0.12 -2.07 0.06 0.00 0.03 0.00 0.00 46.19 44.08 2cm3 s LEU 172 CO 0.02 0.11 0.10 -2.28 0.23 0.00 0.00 176.35 174.53 2cm3 s HIS 173 N 0.76 3.31 -0.37 0.29 2.46 -0.17 -0.88 115.29 120.70 2cm3 s HIS 173 Ca 0.07 -1.70 -0.16 0.00 0.47 0.00 0.00 55.06 53.73 2cm3 s HIS 173 Cb -0.13 -2.42 -0.00 0.00 -0.13 0.00 0.00 32.58 29.90 2cm3 s HIS 173 CO 0.02 -0.80 0.41 -0.06 -2.47 0.00 0.00 174.74 171.84 2cm3 s PHE 174 N 1.32 3.19 -0.46 3.88 0.08 0.34 -0.87 117.98 125.46 2cm3 s PHE 174 Ca -0.01 -0.10 -0.05 0.00 0.12 0.00 0.00 56.93 56.89 2cm3 s PHE 174 Cb -0.20 -2.77 0.12 0.00 -0.57 0.00 0.00 43.02 39.60 2cm3 s PHE 174 CO 0.01 -0.53 0.29 -1.58 -0.10 0.00 0.00 175.22 173.31 2cm3 s HIS 175 N 2.11 3.52 -0.29 0.36 5.65 0.23 -0.36 115.29 126.50 2cm3 s HIS 175 Ca 0.13 -2.24 -0.29 0.00 0.25 0.00 0.00 55.06 52.91 2cm3 s HIS 175 Cb -0.17 -3.34 0.00 0.00 -1.18 0.00 0.00 32.58 27.90 2cm3 s HIS 175 CO 0.12 -0.97 1.28 -0.47 -0.65 0.00 0.00 174.74 174.06 2cm3 s TYR 176 N 1.08 2.73 -2.40 3.88 6.14 0.34 -1.20 117.35 127.92 2cm3 s TYR 176 Ca 0.08 0.90 0.20 0.00 0.64 0.00 0.00 57.07 58.89 2cm3 s TYR 176 Cb -0.24 -3.86 0.18 0.00 0.42 0.00 0.00 41.96 38.46 2cm3 s TYR 176 CO -0.03 -1.65 1.14 0.25 0.64 0.00 0.00 175.55 175.90 2cm3 n THR 177 N 6.12 0.06 -0.99 4.34 -2.24 -1.11 -3.97 114.28 116.49 2cm3 n THR 177 Ca 0.14 -0.53 0.09 0.00 -2.27 0.00 0.00 64.05 61.49 2cm3 n THR 177 Cb 0.46 1.35 0.16 0.00 -2.10 0.00 0.00 70.33 70.21 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 1.11 1.94 -2.37 4.28 -2.24 -1.25 -4.89 114.28 110.86 2cm3 n THR 178 Ca 0.12 -2.09 -0.42 0.00 -2.27 0.00 0.00 64.05 59.38 2cm3 n THR 178 Cb 0.49 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.75 3.06 0.59 4.78 -0.11 -1.26 -4.96 118.94 118.28 2cm3 s TRP 179 Ca 0.33 1.06 -0.18 0.00 1.22 0.00 0.00 56.10 58.53 2cm3 s TRP 179 Cb 0.28 -3.51 -0.06 0.00 -1.50 0.00 0.00 33.47 28.67 2cm3 s TRP 179 CO 0.05 -1.74 0.75 -0.35 -4.62 0.00 0.00 176.95 171.03 2cm3 n PRO 180 N 5.30 0.69 0.20 5.86 -0.04 -1.26 -4.89 135.00 140.86 2cm3 n PRO 180 Ca 0.12 0.27 0.06 0.00 -0.04 0.00 0.00 63.50 63.91 2cm3 n PRO 180 Cb 0.45 -1.94 0.56 0.00 -0.04 0.00 0.00 33.50 32.53 2cm3 n PRO 180 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2cm3 h ASP 181 N 0.33 0.09 -4.48 3.54 3.45 -2.00 -3.42 116.42 113.92 2cm3 h ASP 181 Ca -0.47 -0.01 -0.63 0.00 0.43 0.00 0.00 57.03 56.35 2cm3 h ASP 181 Cb 1.38 -0.02 -0.30 0.00 -0.56 0.00 0.00 39.33 39.83 2cm3 h ASP 181 CO 0.49 0.12 -0.87 -0.36 -1.57 0.00 0.00 179.24 177.05 2cm3 s PHE 182 N -5.02 2.00 0.00 4.55 0.08 -1.26 -4.87 117.98 113.45 2cm3 s PHE 182 Ca -0.05 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.62 2cm3 s PHE 182 Cb 0.17 -1.28 0.00 0.00 -0.57 0.00 0.00 43.02 41.33 2cm3 s PHE 182 CO 0.69 -0.03 0.00 0.41 -0.10 0.00 0.00 175.22 176.19 2cm3 n GLY 183 N 2.52 0.05 3.53 4.36 0.00 -1.26 -4.90 105.19 109.49 2cm3 n GLY 183 Ca -0.15 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 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 2.13 0.45 1.61 -7.23 -1.26 -4.74 120.40 111.35 2cm3 s VAL 184 Ca 0.00 -2.18 -0.25 0.00 -1.81 0.00 0.00 61.98 57.74 2cm3 s VAL 184 Cb 0.00 -2.63 -0.09 0.00 0.56 0.00 0.00 36.38 34.22 2cm3 s VAL 184 CO 0.00 -0.21 1.35 -2.65 -0.31 0.00 0.00 175.10 173.28 2cm3 n PRO 185 N -0.77 2.05 -0.10 4.82 -0.02 -1.26 -4.90 135.00 134.83 2cm3 n PRO 185 Ca -0.05 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 62.06 2cm3 n PRO 185 Cb 0.64 -2.51 0.04 0.00 -0.02 0.00 0.00 33.50 31.65 2cm3 n PRO 185 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2cm3 h GLU 186 N 2.11 0.84 -6.67 -0.52 -0.00 -1.99 -3.43 114.58 104.92 2cm3 h GLU 186 Ca -0.49 -0.39 -0.70 0.00 -0.00 0.00 0.00 59.36 57.78 2cm3 h GLU 186 Cb 1.28 -0.01 -0.28 0.00 -0.00 0.00 0.00 28.75 29.74 2cm3 h GLU 186 CO 0.60 1.03 -0.88 0.45 -0.00 0.00 0.00 179.01 180.20 2cm3 s SER 187 N -6.79 3.12 0.00 3.06 0.15 -1.26 -5.02 113.70 106.96 2cm3 s SER 187 Ca -0.10 -0.52 0.27 0.00 0.70 0.00 0.00 55.95 56.30 2cm3 s SER 187 Cb 0.12 -0.32 1.10 0.00 -1.71 0.00 0.00 66.02 65.21 2cm3 s SER 187 CO 0.86 0.29 1.77 -0.81 1.20 0.00 0.00 173.24 176.54 2cm3 n PRO 188 N 2.13 1.56 0.16 5.44 -0.04 -1.26 -4.50 135.00 138.49 2cm3 n PRO 188 Ca -0.16 -0.83 -0.16 0.00 -0.04 0.00 0.00 63.50 62.31 2cm3 n PRO 188 Cb 0.51 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 2cm3 n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cm3 h ALA 189 N 4.21 -0.89 -0.64 0.55 0.00 -1.98 0.12 119.26 120.64 2cm3 h ALA 189 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2cm3 h ALA 189 Cb 0.41 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2cm3 h ALA 189 CO 0.00 -1.06 0.21 0.66 0.00 0.00 0.00 179.25 179.05 2cm3 h SER 190 N -0.76 0.93 -0.93 0.00 4.64 -2.00 -0.87 113.55 114.56 2cm3 h SER 190 Ca -0.01 -0.20 0.04 0.00 -0.47 0.00 0.00 61.79 61.15 2cm3 h SER 190 Cb 0.74 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.53 2cm3 h SER 190 CO -0.21 0.89 0.61 0.15 -0.87 0.00 0.00 176.83 177.41 2cm3 h PHE 191 N 0.93 1.13 -0.19 4.77 3.57 -1.77 -0.11 116.94 125.27 2cm3 h PHE 191 Ca 0.21 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.57 2cm3 h PHE 191 Cb 0.29 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2cm3 h PHE 191 CO 0.02 0.65 -0.54 -0.07 -2.23 0.00 0.00 178.31 176.15 2cm3 h LEU 192 N 1.17 0.81 -0.94 0.59 3.38 -0.37 -2.22 115.31 117.73 2cm3 h LEU 192 Ca 0.37 -0.58 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2cm3 h LEU 192 Cb 0.02 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 2cm3 h LEU 192 CO -0.12 1.24 0.60 0.78 0.09 0.00 0.00 178.44 181.04 2cm3 h ASN 193 N 0.41 0.98 -0.38 -0.43 2.35 -0.77 0.40 115.58 118.14 2cm3 h ASN 193 Ca -0.01 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2cm3 h ASN 193 Cb 1.16 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.29 2cm3 h ASN 193 CO 0.12 0.65 0.20 0.15 -1.65 0.00 0.00 177.43 176.89 2cm3 h PHE 194 N 1.13 0.37 0.30 1.19 3.57 -0.91 0.30 116.94 122.89 2cm3 h PHE 194 Ca 0.39 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 2cm3 h PHE 194 Cb 0.09 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2cm3 h PHE 194 CO -0.01 0.20 -0.15 1.25 -2.23 0.00 0.00 178.31 177.37 2cm3 h LEU 195 N 0.41 -0.36 -0.64 0.59 5.85 -0.42 0.26 115.31 120.99 2cm3 h LEU 195 Ca 0.16 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.98 2cm3 h LEU 195 Cb 0.05 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 2cm3 h LEU 195 CO -0.10 -0.25 0.28 -0.26 -0.34 0.00 0.00 178.44 177.78 2cm3 h PHE 196 N -0.41 0.50 -0.93 1.25 0.05 -0.02 0.47 116.94 117.85 2cm3 h PHE 196 Ca -0.04 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.80 2cm3 h PHE 196 Cb 0.32 -0.13 -0.05 0.00 2.00 0.00 0.00 35.95 38.09 2cm3 h PHE 196 CO -0.06 0.17 0.61 -0.22 -0.18 0.00 0.00 178.31 178.63 2cm3 h LYS 197 N 0.50 1.20 -0.42 1.51 1.63 0.15 0.18 116.57 121.31 2cm3 h LYS 197 Ca 0.32 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 60.00 2cm3 h LYS 197 Cb 0.35 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 2cm3 h LYS 197 CO -0.28 0.79 0.08 0.28 -3.45 0.00 0.00 179.45 176.88 2cm3 h VAL 198 N 1.23 1.24 -0.67 2.00 2.07 0.22 -2.91 116.25 119.43 2cm3 h VAL 198 Ca 0.35 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2cm3 h VAL 198 Cb -0.10 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2cm3 h VAL 198 CO -0.09 0.29 0.43 0.03 0.02 0.00 0.00 177.57 178.26 2cm3 h ARG 199 N 0.55 0.85 -0.43 1.57 3.08 0.85 -2.76 114.38 118.07 2cm3 h ARG 199 Ca 0.13 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.18 2cm3 h ARG 199 Cb 0.35 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2cm3 h ARG 199 CO 0.01 0.56 0.29 0.93 -1.07 0.00 0.00 179.97 180.69 2cm3 h GLU 200 N 0.87 0.37 0.00 0.04 5.08 -0.52 -1.55 114.58 118.87 2cm3 h GLU 200 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2cm3 h GLU 200 Cb -0.06 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2cm3 h GLU 200 CO -0.07 0.25 0.00 -1.13 -1.00 0.00 0.00 179.01 177.05 2cm3 n SER 201 N -4.48 0.61 0.00 1.42 3.41 -1.04 -4.84 113.62 108.70 2cm3 n SER 201 Ca 0.05 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 2cm3 n SER 201 Cb 0.22 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 2cm3 n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cm3 n GLY 202 N -0.41 0.57 0.23 5.00 0.00 -0.59 -4.90 105.19 105.09 2cm3 n GLY 202 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 0.20 1.61 0.02 -1.78 -2.16 113.55 111.44 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 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2cm3 h SER 203 CO 0.00 0.19 -0.13 0.18 -1.14 0.00 0.00 176.83 175.92 2cm3 n LEU 204 N -4.00 0.91 -4.68 5.07 4.77 -1.26 -4.37 117.00 113.45 2cm3 n LEU 204 Ca -0.02 -0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.31 2cm3 n LEU 204 Cb 0.27 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 2cm3 n LEU 204 CO 0.34 0.16 0.86 -0.24 -1.33 0.00 0.00 177.39 177.18 2cm3 n SER 205 N -0.56 2.54 0.31 -1.43 2.88 -0.82 -4.86 113.62 111.68 2cm3 n SER 205 Ca 0.15 1.20 0.21 0.00 -1.33 0.00 0.00 58.87 59.10 2cm3 n SER 205 Cb 0.31 -1.45 1.09 0.00 -0.75 0.00 0.00 64.21 63.42 2cm3 n SER 205 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2cm3 h PRO 206 N 2.58 0.00 0.00 -1.46 0.13 -1.92 0.18 132.00 131.51 2cm3 h PRO 206 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 2cm3 h PRO 206 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2cm3 h PRO 206 CO 0.63 0.00 -0.13 0.93 -0.23 0.00 0.00 178.00 179.20 2cm3 h GLU 207 N 0.00 0.00 -6.19 0.86 5.08 -1.93 -3.43 114.58 108.97 2cm3 h GLU 207 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 2cm3 h GLU 207 Cb 0.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2cm3 h GLU 207 CO 0.00 0.13 -0.49 -1.01 -1.00 0.00 0.00 179.01 176.63 2cm3 s HIS 208 N -4.32 3.24 1.25 4.33 3.76 0.62 -5.11 115.29 119.06 2cm3 s HIS 208 Ca -0.03 -0.07 -0.19 0.00 -0.15 0.00 0.00 55.06 54.62 2cm3 s HIS 208 Cb 0.14 -1.48 0.30 0.00 1.11 0.00 0.00 32.58 32.66 2cm3 s HIS 208 CO 0.61 0.49 1.03 0.20 -0.85 0.00 0.00 174.74 176.23 2cm3 s GLY 209 N -3.82 1.52 0.40 -2.22 0.00 -0.82 -4.86 107.32 97.52 2cm3 s GLY 209 Ca 0.33 -0.73 -0.27 0.00 0.00 0.00 0.00 44.72 44.05 2cm3 s GLY 209 CO 0.26 0.14 1.39 -1.05 0.00 0.00 0.00 173.10 173.85 2cm3 n PRO 210 N -5.03 2.31 -2.15 2.90 -0.02 -1.26 -4.44 135.00 127.31 2cm3 n PRO 210 Ca 0.11 0.82 -0.39 0.00 -2.02 0.00 0.00 63.50 62.01 2cm3 n PRO 210 Cb 0.59 -2.54 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 2cm3 n PRO 210 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2cm3 s VAL 211 N -1.15 2.82 -0.30 -1.45 0.11 -1.25 -4.46 120.40 114.72 2cm3 s VAL 211 Ca 0.57 0.74 -0.14 0.00 -2.93 0.00 0.00 61.98 60.23 2cm3 s VAL 211 Cb -0.49 -3.44 -0.03 0.00 -1.53 0.00 0.00 36.38 30.89 2cm3 s VAL 211 CO 0.61 0.12 0.33 -0.69 -3.33 0.00 0.00 175.10 172.13 2cm3 s VAL 212 N -1.27 5.20 -0.08 2.04 1.01 -0.73 -1.16 120.40 125.41 2cm3 s VAL 212 Ca 0.55 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2cm3 s VAL 212 Cb -0.36 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2cm3 s VAL 212 CO 0.47 0.08 -0.07 -0.69 0.00 0.00 0.00 175.10 174.89 2cm3 s VAL 213 N 1.98 3.70 0.08 2.92 1.01 0.14 0.03 120.40 130.27 2cm3 s VAL 213 Ca 0.12 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 2cm3 s VAL 213 Cb -0.16 -2.52 0.05 0.00 0.00 0.00 0.00 36.38 33.75 2cm3 s VAL 213 CO 0.11 0.59 0.50 -1.38 0.00 0.00 0.00 175.10 174.92 2cm3 s HIS 214 N -0.67 -0.39 0.00 5.22 -3.43 -0.10 -1.54 115.29 114.38 2cm3 s HIS 214 Ca 0.10 0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 2cm3 s HIS 214 Cb -0.11 0.35 0.00 0.00 -1.43 0.00 0.00 32.58 31.39 2cm3 s HIS 214 CO 0.02 -0.69 0.00 0.00 -2.00 0.00 0.00 174.74 172.07 2cm3 h SER 216 N 0.00 -0.30 0.19 0.00 0.87 -1.91 -1.84 113.55 110.55 2cm3 h SER 216 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2cm3 h SER 216 Cb 0.00 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2cm3 h SER 216 CO 0.00 -0.09 -0.90 0.00 -0.53 0.00 0.00 176.83 175.32 2cm3 n ALA 217 N -2.37 4.22 -2.08 6.23 0.00 -1.26 -2.48 120.51 122.76 2cm3 n ALA 217 Ca -0.04 -0.51 -0.01 0.00 0.00 0.00 0.00 53.44 52.88 2cm3 n ALA 217 Cb 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.48 0.39 0.00 0.00 0.00 -1.24 -4.14 105.19 101.68 2cm3 n GLY 218 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.84 0.00 0.00 -0.61 -5.35 -1.26 -4.42 119.36 103.89 2cm3 n ILE 219 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 2cm3 n ILE 219 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 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 0.52 1.60 0.35 3.28 0.00 -1.26 -0.49 105.19 109.18 2cm3 n GLY 220 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 1.12 -0.50 1.61 3.08 -1.96 0.20 114.38 117.94 2cm3 h ARG 221 Ca 0.00 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2cm3 h ARG 221 Cb 0.00 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 2cm3 h ARG 221 CO 0.00 0.78 0.22 0.77 -1.07 0.00 0.00 179.97 180.68 2cm3 h SER 222 N 1.14 0.66 -0.78 7.04 0.02 -1.88 -1.23 113.55 118.53 2cm3 h SER 222 Ca 0.30 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2cm3 h SER 222 Cb -0.05 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 2cm3 h SER 222 CO -0.06 0.62 0.40 1.23 -1.14 0.00 0.00 176.83 177.89 2cm3 h GLY 223 N 0.66 1.18 0.96 -3.77 0.00 -0.75 -2.39 103.07 98.96 2cm3 h GLY 223 Ca 0.17 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 46.95 2cm3 h GLY 223 CO -0.02 0.54 0.35 -0.84 0.00 0.00 0.00 176.54 176.57 2cm3 h THR 224 N 1.09 1.11 0.30 4.70 2.02 -0.38 0.11 112.91 121.86 2cm3 h THR 224 Ca 0.27 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 2cm3 h THR 224 Cb 0.07 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2cm3 h THR 224 CO -0.04 0.13 -0.14 0.15 0.37 0.00 0.00 175.52 175.99 2cm3 h PHE 225 N 0.72 -0.37 -0.10 3.16 3.57 -0.99 -1.17 116.94 121.75 2cm3 h PHE 225 Ca 0.21 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.54 2cm3 h PHE 225 Cb -0.05 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2cm3 h PHE 225 CO -0.04 -0.22 -0.62 0.00 -2.23 0.00 0.00 178.31 175.19 2cm3 h LEU 227 N 0.27 -0.16 0.08 0.00 5.85 -0.72 0.33 115.31 120.96 2cm3 h LEU 227 Ca -0.01 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.59 2cm3 h LEU 227 Cb 1.16 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 2cm3 h LEU 227 CO 0.10 0.04 -0.22 0.00 -0.34 0.00 0.00 178.44 178.02 2cm3 h ALA 228 N 0.47 -0.36 -0.35 1.25 0.00 -1.23 0.12 119.26 119.16 2cm3 h ALA 228 Ca -0.02 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2cm3 h ALA 228 Cb 0.29 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2cm3 h ALA 228 CO 0.03 -0.75 -0.03 0.22 0.00 0.00 0.00 179.25 178.72 2cm3 h ASP 229 N -0.40 -0.22 -0.62 0.00 3.58 -1.20 -1.16 116.42 116.41 2cm3 h ASP 229 Ca 0.04 0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 2cm3 h ASP 229 Cb 0.44 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 2cm3 h ASP 229 CO -0.15 -0.07 0.20 0.74 -2.88 0.00 0.00 179.24 177.08 2cm3 h THR 230 N 0.06 1.24 -0.20 2.25 2.02 -0.57 -1.42 112.91 116.30 2cm3 h THR 230 Ca 0.17 -0.85 -0.12 0.00 0.77 0.00 0.00 66.41 66.39 2cm3 h THR 230 Cb 0.25 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2cm3 h THR 230 CO -0.32 0.33 -0.37 0.00 0.37 0.00 0.00 175.52 175.53 2cm3 h LEU 232 N 0.38 0.63 -0.50 0.00 3.38 -0.94 -0.74 115.31 117.52 2cm3 h LEU 232 Ca 0.04 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 2cm3 h LEU 232 Cb 0.82 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2cm3 h LEU 232 CO 0.07 0.92 0.08 -0.07 0.09 0.00 0.00 178.44 179.53 2cm3 h LEU 233 N 0.52 0.79 0.49 1.67 -0.00 -0.89 -2.00 115.31 115.88 2cm3 h LEU 233 Ca 0.06 -0.26 -0.02 0.00 -0.00 0.00 0.00 57.88 57.65 2cm3 h LEU 233 Cb 0.83 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 2cm3 h LEU 233 CO 0.07 0.85 -0.23 -0.07 -0.00 0.00 0.00 178.44 179.06 2cm3 h LEU 234 N 0.70 -0.55 -0.72 1.67 3.38 -0.99 -1.47 115.31 117.33 2cm3 h LEU 234 Ca 0.15 -0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.19 2cm3 h LEU 234 Cb 0.40 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.19 2cm3 h LEU 234 CO 0.01 -0.22 0.21 0.24 0.09 0.00 0.00 178.44 178.77 2cm3 h MET 235 N -0.90 0.32 0.00 1.13 2.86 -1.17 1.51 114.93 118.67 2cm3 h MET 235 Ca -0.07 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 2cm3 h MET 235 Cb 0.59 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2cm3 h MET 235 CO 0.11 0.21 -0.21 0.22 1.06 0.00 0.00 176.91 178.30 2cm3 h ASP 236 N 0.33 0.00 0.02 1.22 3.58 -1.32 -3.27 116.42 116.98 2cm3 h ASP 236 Ca 0.40 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.54 2cm3 h ASP 236 Cb 0.64 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.65 2cm3 h ASP 236 CO -0.45 0.21 -1.72 1.17 -2.88 0.00 0.00 179.24 175.57 2cm3 n LYS 237 N -3.90 0.60 -1.87 0.28 4.81 0.91 -4.94 118.16 114.04 2cm3 n LYS 237 Ca -0.02 0.44 -0.41 0.00 -0.87 0.00 0.00 58.31 57.45 2cm3 n LYS 237 Cb 0.30 -1.68 -0.00 0.00 0.02 0.00 0.00 35.03 33.67 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 -2.43 4.12 0.47 1.64 0.52 0.48 -4.90 118.95 118.85 2cm3 s ARG 238 Ca -0.30 2.48 0.21 0.00 -0.52 0.00 0.00 55.73 57.60 2cm3 s ARG 238 Cb 0.08 -2.96 1.18 0.00 0.52 0.00 0.00 34.95 33.77 2cm3 s ARG 238 CO 0.60 -0.49 1.99 0.87 0.02 0.00 0.00 175.30 178.29 2cm3 h LYS 239 N 3.01 0.00 -3.27 3.54 1.57 -1.88 -3.33 116.57 116.21 2cm3 h LYS 239 Ca -0.50 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.62 2cm3 h LYS 239 Cb 1.24 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.16 2cm3 h LYS 239 CO 0.64 0.19 -0.41 0.34 -0.57 0.00 0.00 179.45 179.64 2cm3 s ASP 240 N -6.50 5.16 0.66 0.86 2.15 -1.26 -4.94 116.67 112.80 2cm3 s ASP 240 Ca -0.03 -3.54 0.16 0.00 0.43 0.00 0.00 52.55 49.57 2cm3 s ASP 240 Cb 0.14 -1.75 0.84 0.00 -0.30 0.00 0.00 42.92 41.84 2cm3 s ASP 240 CO 0.64 -0.18 1.47 -0.65 -0.17 0.00 0.00 175.17 176.28 2cm3 h PRO 241 N 6.00 0.00 0.03 4.34 0.11 -1.77 0.44 132.00 141.14 2cm3 h PRO 241 Ca 0.09 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.97 2cm3 h PRO 241 Cb 0.82 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 2cm3 h PRO 241 CO 0.75 0.00 -1.08 0.66 -0.21 0.00 0.00 178.00 178.12 2cm3 h SER 242 N 0.00 0.09 0.29 -2.05 4.64 -1.94 -3.25 113.55 111.32 2cm3 h SER 242 Ca 0.03 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2cm3 h SER 242 Cb 1.41 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2cm3 h SER 242 CO -0.00 1.08 0.00 -1.54 -0.87 0.00 0.00 176.83 175.50 2cm3 n SER 243 N -3.37 0.44 -4.55 4.97 3.41 0.15 -4.57 113.62 110.10 2cm3 n SER 243 Ca -0.03 0.66 -0.35 0.00 -0.26 0.00 0.00 58.87 58.90 2cm3 n SER 243 Cb 0.96 -0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 64.14 2cm3 n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2cm3 s VAL 244 N -3.33 3.27 -0.49 -3.33 1.01 -1.23 -4.93 120.40 111.38 2cm3 s VAL 244 Ca 0.01 0.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 2cm3 s VAL 244 Cb 0.07 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.79 2cm3 s VAL 244 CO 0.23 -0.66 0.74 -0.62 0.00 0.00 0.00 175.10 174.79 2cm3 s ASP 245 N 9.18 6.32 0.43 3.32 -1.08 -1.26 -4.89 116.67 128.68 2cm3 s ASP 245 Ca 0.76 -0.46 0.22 0.00 -0.52 0.00 0.00 52.55 52.55 2cm3 s ASP 245 Cb -0.13 -2.35 0.96 0.00 -1.46 0.00 0.00 42.92 39.94 2cm3 s ASP 245 CO 0.18 -0.95 1.86 0.16 0.52 0.00 0.00 175.17 176.94 2cm3 h ILE 246 N 5.93 0.77 -0.48 4.11 -0.00 -1.96 -1.11 117.51 124.76 2cm3 h ILE 246 Ca -0.26 -1.12 -0.03 0.00 -0.00 0.00 0.00 64.86 63.45 2cm3 h ILE 246 Cb 1.09 1.69 -0.02 0.00 -0.00 0.00 0.00 36.82 39.58 2cm3 h ILE 246 CO 0.97 0.26 0.19 0.50 -0.00 0.00 0.00 178.15 180.08 2cm3 h LYS 247 N 0.00 0.72 -0.18 0.16 3.11 -1.99 0.85 116.57 119.24 2cm3 h LYS 247 Ca -0.00 -0.13 -0.15 0.00 -2.81 0.00 0.00 60.65 57.56 2cm3 h LYS 247 Cb 0.67 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 2cm3 h LYS 247 CO 0.03 0.64 -0.52 -0.22 -2.81 0.00 0.00 179.45 176.58 2cm3 h LYS 248 N 0.63 0.51 0.28 1.90 3.64 -1.85 -2.09 116.57 119.60 2cm3 h LYS 248 Ca 0.16 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2cm3 h LYS 248 Cb 0.19 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2cm3 h LYS 248 CO -0.01 0.91 -0.13 0.28 -2.27 0.00 0.00 179.45 178.22 2cm3 h VAL 249 N 0.40 0.75 0.09 2.00 2.07 -0.75 -0.64 116.25 120.18 2cm3 h VAL 249 Ca 0.01 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.32 2cm3 h VAL 249 Cb 1.05 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 2cm3 h VAL 249 CO 0.10 0.05 -0.48 0.25 0.02 0.00 0.00 177.57 177.51 2cm3 h LEU 250 N -0.50 -1.43 -1.12 2.57 5.85 -0.78 0.81 115.31 120.72 2cm3 h LEU 250 Ca -0.04 0.16 0.19 0.00 0.84 0.00 0.00 57.88 59.03 2cm3 h LEU 250 Cb 0.37 0.54 -0.10 0.00 0.37 0.00 0.00 40.66 41.84 2cm3 h LEU 250 CO 0.06 -0.52 0.61 -0.07 -0.34 0.00 0.00 178.44 178.19 2cm3 h LEU 251 N -0.69 0.71 -0.74 2.25 3.38 -1.34 0.87 115.31 119.75 2cm3 h LEU 251 Ca 0.02 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2cm3 h LEU 251 Cb 0.72 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2cm3 h LEU 251 CO -0.29 0.27 0.40 -0.08 0.09 0.00 0.00 178.44 178.83 2cm3 h GLU 252 N 0.70 1.04 -0.44 1.13 4.57 0.51 -2.08 114.58 120.01 2cm3 h GLU 252 Ca 0.55 -0.12 -0.14 0.00 -1.18 0.00 0.00 59.36 58.47 2cm3 h GLU 252 Cb 0.94 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2cm3 h GLU 252 CO -0.33 0.78 -0.27 0.52 -1.18 0.00 0.00 179.01 178.53 2cm3 h MET 253 N 1.03 0.95 0.00 1.92 2.86 0.24 -2.82 114.93 119.11 2cm3 h MET 253 Ca 0.26 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2cm3 h MET 253 Cb 0.04 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2cm3 h MET 253 CO -0.04 1.09 0.00 0.54 1.06 0.00 0.00 176.91 179.56 2cm3 n ARG 254 N -4.09 0.05 0.12 1.72 1.74 0.24 -0.74 116.66 115.70 2cm3 n ARG 254 Ca -0.01 0.20 -0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2cm3 n ARG 254 Cb 0.48 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.48 2cm3 n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2cm3 h LYS 255 N 0.00 0.00 0.06 5.56 1.57 -1.34 -3.36 116.57 119.06 2cm3 h LYS 255 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 2cm3 h LYS 255 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 2cm3 h LYS 255 CO 0.00 0.64 -1.99 1.19 -0.57 0.00 0.00 179.45 178.73 2cm3 n PHE 256 N -3.38 0.92 -3.75 -1.35 3.72 0.08 -4.92 117.46 108.79 2cm3 n PHE 256 Ca 0.01 0.25 -0.13 0.00 -0.05 0.00 0.00 57.45 57.52 2cm3 n PHE 256 Cb 0.74 -1.14 -0.13 0.00 -0.94 0.00 0.00 39.48 38.01 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 -2.56 0.16 0.63 -1.08 3.52 -1.18 -4.43 118.95 114.00 2cm3 s ARG 257 Ca -0.17 0.43 -0.17 0.00 -0.13 0.00 0.00 55.73 55.69 2cm3 s ARG 257 Cb 0.07 -0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.33 2cm3 s ARG 257 CO 0.78 -0.15 1.13 0.00 -0.81 0.00 0.00 175.30 176.25 2cm3 s MET 258 N 1.06 2.92 -0.16 5.12 0.23 -1.26 -4.15 119.30 123.06 2cm3 s MET 258 Ca -0.08 1.52 0.00 0.00 -1.03 0.00 0.00 55.69 56.10 2cm3 s MET 258 Cb -0.10 -1.96 0.00 0.00 -1.53 0.00 0.00 34.83 31.25 2cm3 s MET 258 CO -0.06 -1.18 0.00 0.41 -2.03 0.00 0.00 175.02 172.16 2cm3 n GLY 259 N -0.17 0.33 3.66 3.16 0.00 -1.26 -4.91 105.19 106.00 2cm3 n GLY 259 Ca 0.11 -0.05 -0.51 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.17 2.71 -1.65 0.99 4.77 -1.26 -3.73 117.00 118.66 2cm3 n LEU 260 Ca -0.01 1.06 -0.01 0.00 -0.03 0.00 0.00 56.01 57.01 2cm3 n LEU 260 Cb 0.32 -1.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.11 2cm3 n LEU 260 CO 0.02 -0.43 -0.10 -0.38 -1.33 0.00 0.00 177.39 175.17 2cm3 n ILE 261 N 3.96 -4.52 0.26 -0.08 2.08 0.35 -4.96 119.36 116.45 2cm3 n ILE 261 Ca 0.21 0.44 0.12 0.00 0.56 0.00 0.00 62.75 64.08 2cm3 n ILE 261 Cb 0.23 -3.96 0.18 0.00 -0.75 0.00 0.00 39.64 35.34 2cm3 n ILE 261 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 2cm3 h GLN 262 N 0.63 0.00 -4.06 0.38 4.20 -1.79 -3.48 115.11 110.99 2cm3 h GLN 262 Ca -0.09 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.45 2cm3 h GLN 262 Cb 0.20 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.87 2cm3 h GLN 262 CO 0.00 0.00 -0.28 0.95 -0.67 0.00 0.00 178.83 178.83 2cm3 s THR 263 N -3.21 0.00 0.08 -0.54 -4.23 -1.26 -5.05 115.64 101.43 2cm3 s THR 263 Ca 0.07 -1.63 -0.20 0.00 -1.18 0.00 0.00 61.69 58.74 2cm3 s THR 263 Cb 0.07 -2.41 -0.10 0.00 1.34 0.00 0.00 72.50 71.39 2cm3 s THR 263 CO 0.68 0.00 1.58 0.00 -0.54 0.00 0.00 174.62 176.33 2cm3 h ALA 264 N 2.31 0.23 -0.38 3.99 0.00 -1.93 -0.96 119.26 122.51 2cm3 h ALA 264 Ca -0.29 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.50 2cm3 h ALA 264 Cb 1.25 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2cm3 h ALA 264 CO 0.41 -0.13 0.20 -0.44 0.00 0.00 0.00 179.25 179.29 2cm3 h ASP 265 N 0.10 0.31 -0.58 0.00 3.32 -1.97 0.79 116.42 118.39 2cm3 h ASP 265 Ca 0.06 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.15 2cm3 h ASP 265 Cb 0.25 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 2cm3 h ASP 265 CO -0.00 0.22 0.39 1.56 -1.72 0.00 0.00 179.24 179.69 2cm3 h GLN 266 N 0.41 0.66 0.07 3.56 4.20 -1.94 0.89 115.11 122.96 2cm3 h GLN 266 Ca 0.16 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2cm3 h GLN 266 Cb 0.05 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2cm3 h GLN 266 CO -0.10 0.44 -0.03 1.25 -0.67 0.00 0.00 178.83 179.72 2cm3 h LEU 267 N 0.68 -0.08 -0.59 1.46 5.85 0.65 -0.60 115.31 122.69 2cm3 h LEU 267 Ca 0.23 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2cm3 h LEU 267 Cb 0.08 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2cm3 h LEU 267 CO -0.06 0.24 0.29 -0.09 -0.34 0.00 0.00 178.44 178.48 2cm3 h ARG 268 N -0.40 0.53 -0.49 1.25 2.43 0.19 -1.33 114.38 116.56 2cm3 h ARG 268 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2cm3 h ARG 268 Cb 0.35 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2cm3 h ARG 268 CO 0.01 0.35 0.25 0.35 -1.51 0.00 0.00 179.97 179.43 2cm3 h PHE 269 N 0.54 0.66 -0.25 2.20 3.57 0.89 -1.99 116.94 122.56 2cm3 h PHE 269 Ca 0.28 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 2cm3 h PHE 269 Cb 0.23 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2cm3 h PHE 269 CO -0.11 0.47 0.03 0.77 -2.23 0.00 0.00 178.31 177.24 2cm3 h SER 270 N 0.68 0.41 -0.44 0.41 0.02 0.01 0.34 113.55 114.97 2cm3 h SER 270 Ca 0.17 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2cm3 h SER 270 Cb 0.04 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2cm3 h SER 270 CO -0.03 0.58 0.29 1.88 -1.14 0.00 0.00 176.83 178.41 2cm3 h TYR 271 N 0.22 0.55 0.17 3.45 -1.99 -1.01 -1.29 116.97 117.06 2cm3 h TYR 271 Ca 0.07 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 2cm3 h TYR 271 Cb 0.35 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.90 2cm3 h TYR 271 CO 0.03 0.34 -0.08 1.25 -0.00 0.00 0.00 178.16 179.69 2cm3 h LEU 272 N 0.59 -0.19 -0.52 3.88 6.46 -1.28 -0.05 115.31 124.20 2cm3 h LEU 272 Ca 0.17 -0.01 0.10 0.00 -0.12 0.00 0.00 57.88 58.02 2cm3 h LEU 272 Cb -0.05 0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 39.83 2cm3 h LEU 272 CO -0.04 -0.11 -0.08 0.00 -0.62 0.00 0.00 178.44 177.58 2cm3 h ALA 273 N 0.58 0.40 -0.76 1.25 0.00 -0.66 0.64 119.26 120.72 2cm3 h ALA 273 Ca -0.02 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2cm3 h ALA 273 Cb 0.19 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2cm3 h ALA 273 CO 0.04 -0.42 0.47 0.28 0.00 0.00 0.00 179.25 179.61 2cm3 h VAL 274 N 0.04 1.21 0.52 0.00 2.07 -1.00 0.64 116.25 119.74 2cm3 h VAL 274 Ca 0.26 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2cm3 h VAL 274 Cb 0.40 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2cm3 h VAL 274 CO -0.50 0.22 -0.25 0.40 0.02 0.00 0.00 177.57 177.45 2cm3 h ILE 275 N 1.03 0.37 -0.88 4.57 2.04 0.11 0.86 117.51 125.61 2cm3 h ILE 275 Ca 0.27 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2cm3 h ILE 275 Cb -0.05 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 2cm3 h ILE 275 CO -0.05 0.05 0.58 -0.33 0.00 0.00 0.00 178.15 178.39 2cm3 h GLU 276 N -0.97 1.11 -0.02 2.37 4.39 0.21 -0.73 114.58 120.94 2cm3 h GLU 276 Ca -0.07 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 2cm3 h GLU 276 Cb 0.62 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2cm3 h GLU 276 CO 0.12 0.74 -0.38 0.78 -1.16 0.00 0.00 179.01 179.11 2cm3 h GLY 277 N 1.15 0.05 0.35 -3.84 0.00 0.38 -2.80 103.07 98.36 2cm3 h GLY 277 Ca 0.34 -0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.76 2cm3 h GLY 277 CO -0.10 0.04 0.58 0.00 0.00 0.00 0.00 176.54 177.07 2cm3 h ALA 278 N 1.58 1.49 0.00 3.60 0.00 0.23 1.31 119.26 127.46 2cm3 h ALA 278 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2cm3 h ALA 278 Cb 0.69 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2cm3 h ALA 278 CO 0.05 0.10 0.00 1.63 0.00 0.00 0.00 179.25 181.03 2cm3 n LYS 279 N -4.70 0.07 0.00 0.00 5.02 -1.06 -4.97 118.16 112.52 2cm3 n LYS 279 Ca 0.19 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2cm3 n LYS 279 Cb 0.41 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.80 -1.01 0.00 2.13 3.01 0.45 -5.15 117.46 115.09 2cm3 n PHE 280 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2cm3 n PHE 280 Cb 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 2cm3 n PHE 280 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28