#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cm8 h MET 3 N 0.00 0.77 -0.32 5.31 -0.00 -1.88 -0.50 114.93 118.30 2cm8 h MET 3 Ca 0.00 -0.05 -0.15 0.00 -0.00 0.00 0.00 59.70 59.50 2cm8 h MET 3 Cb 0.00 -0.17 -0.01 0.00 -0.00 0.00 0.00 31.60 31.42 2cm8 h MET 3 CO 0.00 0.51 -0.40 1.49 -0.00 0.00 0.00 176.91 178.51 2cm8 h GLU 4 N 0.79 0.79 -0.24 -0.10 4.81 -1.97 0.52 114.58 119.17 2cm8 h GLU 4 Ca 0.44 -0.41 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 2cm8 h GLU 4 Cb 0.48 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 2cm8 h GLU 4 CO -0.28 1.04 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.60 2cm8 h LYS 5 N 0.64 0.57 -0.76 1.92 3.64 -1.96 -2.22 116.57 118.40 2cm8 h LYS 5 Ca 0.05 -0.29 0.04 0.00 -1.27 0.00 0.00 60.65 59.18 2cm8 h LYS 5 Cb 0.96 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 2cm8 h LYS 5 CO 0.09 0.88 0.48 1.49 -2.27 0.00 0.00 179.45 180.12 2cm8 h GLU 6 N 0.28 0.90 -0.24 1.90 4.81 -0.95 -0.65 114.58 120.62 2cm8 h GLU 6 Ca 0.04 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2cm8 h GLU 6 Cb 0.76 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 2cm8 h GLU 6 CO 0.05 0.59 -0.09 0.35 -0.73 0.00 0.00 179.01 179.19 2cm8 h PHE 7 N 0.92 -0.21 -0.41 0.92 3.57 0.27 -0.13 116.94 121.88 2cm8 h PHE 7 Ca 0.31 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.84 2cm8 h PHE 7 Cb 0.05 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2cm8 h PHE 7 CO -0.04 -0.15 0.26 0.93 -2.23 0.00 0.00 178.31 177.08 2cm8 h GLU 8 N -0.05 0.55 -0.57 1.11 3.07 -0.88 -0.56 114.58 117.25 2cm8 h GLU 8 Ca 0.12 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 59.00 2cm8 h GLU 8 Cb 0.23 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 27.98 2cm8 h GLU 8 CO -0.28 0.39 0.29 0.37 -1.40 0.00 0.00 179.01 178.38 2cm8 h GLN 9 N 0.54 0.53 -0.41 2.33 -0.00 -0.47 0.90 115.11 118.54 2cm8 h GLN 9 Ca 0.15 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.65 58.63 2cm8 h GLN 9 Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.32 2cm8 h GLN 9 CO -0.03 0.35 -0.27 0.82 0.00 0.00 0.00 178.83 179.70 2cm8 h ILE 10 N 0.55 1.28 -0.22 2.39 2.04 -0.80 -1.82 117.51 120.92 2cm8 h ILE 10 Ca 0.26 -1.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 2cm8 h ILE 10 Cb 0.18 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2cm8 h ILE 10 CO -0.18 0.48 0.03 0.44 0.00 0.00 0.00 178.15 178.92 2cm8 h ASP 11 N 0.74 0.36 0.17 1.72 5.19 -0.81 -0.28 116.42 123.51 2cm8 h ASP 11 Ca 0.08 -0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 2cm8 h ASP 11 Cb 0.85 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.26 2cm8 h ASP 11 CO 0.08 0.54 -0.16 0.11 -3.12 0.00 0.00 179.24 176.69 2cm8 h LYS 12 N 0.17 -0.34 0.00 3.56 6.56 -0.79 -1.50 116.57 124.23 2cm8 h LYS 12 Ca 0.07 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 2cm8 h LYS 12 Cb 0.34 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 2cm8 h LYS 12 CO 0.01 -0.23 0.00 -1.13 -2.06 0.00 0.00 179.45 176.04 2cm8 n SER 13 N -5.28 0.00 -3.92 0.86 3.41 -0.69 -4.90 113.62 103.09 2cm8 n SER 13 Ca -0.08 -0.86 -0.28 0.00 -0.26 0.00 0.00 58.87 57.39 2cm8 n SER 13 Cb 0.20 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 2cm8 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cm8 n GLY 14 N 0.64 -0.40 1.18 5.00 0.00 -0.22 -4.91 105.19 106.48 2cm8 n GLY 14 Ca 0.19 0.22 -0.05 0.00 0.00 0.00 0.00 46.02 46.38 2cm8 n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cm8 n SER 15 N -2.88 2.84 -0.09 1.61 3.41 -0.55 -4.75 113.62 113.23 2cm8 n SER 15 Ca -0.26 -3.75 -0.04 0.00 -0.26 0.00 0.00 58.87 54.56 2cm8 n SER 15 Cb 0.66 -0.45 0.18 0.00 -0.26 0.00 0.00 64.21 64.34 2cm8 n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2cm8 h TRP 16 N 1.46 0.78 -0.60 7.33 4.06 -1.91 -1.34 115.95 125.73 2cm8 h TRP 16 Ca 0.12 -0.11 0.01 0.00 2.06 0.00 0.00 58.89 60.97 2cm8 h TRP 16 Cb 1.23 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 29.14 2cm8 h TRP 16 CO 0.77 0.74 0.40 0.00 -3.56 0.00 0.00 178.44 176.79 2cm8 h ALA 17 N 1.29 0.77 -0.22 1.49 0.00 -1.91 0.57 119.26 121.25 2cm8 h ALA 17 Ca 0.13 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2cm8 h ALA 17 Cb 0.45 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2cm8 h ALA 17 CO 0.02 0.19 -0.25 0.00 0.00 0.00 0.00 179.25 179.21 2cm8 h ALA 18 N 1.23 0.33 -0.07 0.00 0.00 -1.86 -0.79 119.26 118.10 2cm8 h ALA 18 Ca 0.22 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2cm8 h ALA 18 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2cm8 h ALA 18 CO -0.05 0.31 -0.03 0.82 0.00 0.00 0.00 179.25 180.29 2cm8 h ILE 19 N 0.25 0.89 -0.25 0.00 1.08 -1.08 -0.74 117.51 117.66 2cm8 h ILE 19 Ca 0.03 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.52 2cm8 h ILE 19 Cb 0.82 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 2cm8 h ILE 19 CO 0.06 0.00 0.12 0.22 -0.69 0.00 0.00 178.15 177.86 2cm8 h TYR 20 N -0.03 0.22 -0.40 1.37 3.20 -0.86 -2.28 116.97 118.18 2cm8 h TYR 20 Ca 0.04 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2cm8 h TYR 20 Cb 0.09 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2cm8 h TYR 20 CO -0.14 0.12 0.20 1.96 -1.64 0.00 0.00 178.16 178.67 2cm8 h GLN 21 N 0.26 0.55 -0.78 1.82 1.08 -0.95 -1.64 115.11 115.45 2cm8 h GLN 21 Ca 0.10 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.21 2cm8 h GLN 21 Cb 0.03 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 2cm8 h GLN 21 CO -0.07 0.42 0.34 -0.44 -0.95 0.00 0.00 178.83 178.13 2cm8 h ASP 22 N 0.56 1.06 -0.76 1.46 3.32 -0.57 -1.31 116.42 120.18 2cm8 h ASP 22 Ca 0.14 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2cm8 h ASP 22 Cb 0.04 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 2cm8 h ASP 22 CO -0.02 0.92 0.40 0.40 -1.72 0.00 0.00 179.24 179.22 2cm8 h ILE 23 N 1.13 1.23 -0.66 0.35 2.04 -0.95 -0.93 117.51 119.72 2cm8 h ILE 23 Ca 0.27 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2cm8 h ILE 23 Cb 0.17 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 2cm8 h ILE 23 CO -0.03 0.26 0.37 0.03 0.00 0.00 0.00 178.15 178.78 2cm8 h ARG 24 N 1.05 0.92 -0.54 2.37 3.08 -0.96 -0.12 114.38 120.17 2cm8 h ARG 24 Ca 0.27 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.22 2cm8 h ARG 24 Cb 0.06 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2cm8 h ARG 24 CO -0.04 0.68 0.36 1.25 -1.07 0.00 0.00 179.97 181.15 2cm8 h HIS 25 N 0.90 0.68 -0.00 3.04 2.76 -0.68 -2.71 115.15 119.14 2cm8 h HIS 25 Ca 0.23 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2cm8 h HIS 25 Cb 0.03 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.76 2cm8 h HIS 25 CO -0.01 0.43 -0.09 0.39 -1.30 0.00 0.00 177.93 177.35 2cm8 n GLU 26 N -4.71 0.20 -1.80 5.26 1.02 -0.41 -4.93 120.64 115.27 2cm8 n GLU 26 Ca 0.03 -0.04 -0.39 0.00 -0.02 0.00 0.00 57.16 56.74 2cm8 n GLU 26 Cb 0.02 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 29.97 2cm8 n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cm8 s ALA 27 N -2.82 3.09 0.77 0.62 0.00 -0.09 -4.96 121.76 118.38 2cm8 s ALA 27 Ca 0.19 1.41 -0.14 0.00 0.00 0.00 0.00 51.96 53.42 2cm8 s ALA 27 Cb 0.19 -3.58 0.06 0.00 0.00 0.00 0.00 23.12 19.79 2cm8 s ALA 27 CO 0.53 -1.25 1.16 0.43 0.00 0.00 0.00 175.76 176.64 2cm8 n SER 28 N -0.48 1.04 -3.70 0.00 7.64 -1.26 -5.03 113.62 111.82 2cm8 n SER 28 Ca 0.07 0.63 -0.26 0.00 1.01 0.00 0.00 58.87 60.32 2cm8 n SER 28 Cb 0.43 -1.49 -0.17 0.00 -1.01 0.00 0.00 64.21 61.97 2cm8 n SER 28 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2cm8 s ASP 29 N -1.93 2.40 0.18 6.43 2.15 -1.26 -4.95 116.67 119.68 2cm8 s ASP 29 Ca 0.74 -0.57 0.07 0.00 0.43 0.00 0.00 52.55 53.22 2cm8 s ASP 29 Cb -0.31 -0.44 -0.04 0.00 -0.30 0.00 0.00 42.92 41.82 2cm8 s ASP 29 CO 0.49 -0.29 -0.15 -0.36 -0.17 0.00 0.00 175.17 174.69 2cm8 s PHE 30 N 1.98 1.63 0.59 -5.34 0.08 -1.26 -5.13 117.98 110.52 2cm8 s PHE 30 Ca 0.01 -0.57 -0.18 0.00 0.12 0.00 0.00 56.93 56.32 2cm8 s PHE 30 Cb -0.16 -0.79 -0.04 0.00 -0.57 0.00 0.00 43.02 41.47 2cm8 s PHE 30 CO -0.07 0.29 1.12 -1.25 -0.10 0.00 0.00 175.22 175.20 2cm8 s PRO 31 N -3.33 3.16 -0.40 0.24 0.04 -1.26 -4.87 135.00 128.59 2cm8 s PRO 31 Ca 0.18 1.50 0.11 0.00 0.04 0.00 0.00 61.00 62.84 2cm8 s PRO 31 Cb -0.02 -1.99 0.42 0.00 0.04 0.00 0.00 34.50 32.95 2cm8 s PRO 31 CO 0.05 -0.98 0.98 0.00 0.04 0.00 0.00 177.00 177.09 2cm8 h ARG 33 N 2.85 0.28 -0.62 0.00 2.43 -1.93 -2.77 114.38 114.61 2cm8 h ARG 33 Ca 0.09 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2cm8 h ARG 33 Cb 0.99 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 2cm8 h ARG 33 CO 0.66 0.29 0.36 0.28 -1.51 0.00 0.00 179.97 180.04 2cm8 h VAL 34 N 0.20 1.19 -0.71 0.20 2.07 -1.92 -2.32 116.25 114.95 2cm8 h VAL 34 Ca 0.07 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.22 2cm8 h VAL 34 Cb 0.10 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 2cm8 h VAL 34 CO -0.01 0.20 0.47 0.00 0.02 0.00 0.00 177.57 178.25 2cm8 h ALA 35 N 1.18 1.77 -0.01 1.67 0.00 -1.84 -1.65 119.26 120.39 2cm8 h ALA 35 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2cm8 h ALA 35 Cb 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2cm8 h ALA 35 CO -0.04 0.10 -0.10 1.63 0.00 0.00 0.00 179.25 180.84 2cm8 n LYS 36 N -4.49 0.87 -1.92 0.00 4.76 -0.91 -4.66 118.16 111.82 2cm8 n LYS 36 Ca 0.11 -0.33 -0.41 0.00 -2.87 0.00 0.00 58.31 54.81 2cm8 n LYS 36 Cb 0.27 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.97 2cm8 n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cm8 s LEU 37 N -2.36 4.31 0.25 -0.35 1.43 -0.62 -4.91 118.68 116.43 2cm8 s LEU 37 Ca 0.32 2.89 -0.05 0.00 -1.03 0.00 0.00 54.13 56.26 2cm8 s LEU 37 Cb 0.20 -3.72 0.48 0.00 0.03 0.00 0.00 46.19 43.18 2cm8 s LEU 37 CO 0.45 -0.81 1.68 -0.65 0.23 0.00 0.00 176.35 177.25 2cm8 h PRO 38 N 2.99 0.26 0.00 1.29 0.11 -1.91 -0.72 132.00 134.02 2cm8 h PRO 38 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2cm8 h PRO 38 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2cm8 h PRO 38 CO 0.64 0.17 0.00 1.57 -0.21 0.00 0.00 178.00 180.17 2cm8 h LYS 39 N 0.26 0.00 -0.43 1.05 2.10 -1.95 -2.39 116.57 115.22 2cm8 h LYS 39 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 2cm8 h LYS 39 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 2cm8 h LYS 39 CO -0.52 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.02 2cm8 n ASN 40 N -2.53 3.40 -0.19 7.07 3.02 -0.28 -4.58 115.26 121.16 2cm8 n ASN 40 Ca -0.01 -1.96 -0.01 0.00 -0.03 0.00 0.00 54.58 52.57 2cm8 n ASN 40 Cb 0.10 -0.28 0.10 0.00 -0.61 0.00 0.00 39.78 39.09 2cm8 n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2cm8 h LYS 41 N 3.98 0.37 -0.13 3.52 3.11 -1.42 -0.55 116.57 125.44 2cm8 h LYS 41 Ca 0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2cm8 h LYS 41 Cb 0.92 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.07 2cm8 h LYS 41 CO 0.00 0.25 0.00 0.27 -2.81 0.00 0.00 179.45 177.16 2cm8 n ASN 42 N -5.01 0.17 -0.64 4.20 2.04 -1.26 -2.85 115.26 111.91 2cm8 n ASN 42 Ca 0.08 -2.00 0.08 0.00 -0.44 0.00 0.00 54.58 52.30 2cm8 n ASN 42 Cb 0.26 -0.07 0.06 0.00 -2.53 0.00 0.00 39.78 37.50 2cm8 n ASN 42 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2cm8 n ARG 43 N -0.41 1.41 -4.80 -3.83 1.74 -0.22 -4.90 116.66 105.65 2cm8 n ARG 43 Ca 0.00 -1.43 -0.33 0.00 -0.77 0.00 0.00 57.85 55.33 2cm8 n ARG 43 Cb 0.04 -1.32 -0.14 0.00 -1.02 0.00 0.00 32.46 30.01 2cm8 n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2cm8 s ASN 44 N -1.48 3.97 0.06 0.55 0.01 -1.13 -4.38 114.94 112.55 2cm8 s ASN 44 Ca 0.19 -0.33 -0.08 0.00 -0.71 0.00 0.00 52.86 51.93 2cm8 s ASN 44 Cb 0.14 -1.59 -0.30 0.00 0.41 0.00 0.00 41.25 39.90 2cm8 s ASN 44 CO 0.24 0.17 1.10 -0.09 -1.51 0.00 0.00 177.10 177.01 2cm8 h ARG 45 N 6.68 0.35 -4.65 -0.60 2.43 -1.89 -3.45 114.38 113.26 2cm8 h ARG 45 Ca -0.25 -0.60 -0.51 0.00 -0.81 0.00 0.00 59.98 57.81 2cm8 h ARG 45 Cb 1.21 0.22 -0.33 0.00 -0.42 0.00 0.00 29.97 30.66 2cm8 h ARG 45 CO 0.55 1.29 -0.81 0.71 -1.51 0.00 0.00 179.97 180.19 2cm8 s TYR 46 N -2.65 1.43 0.27 2.20 2.02 -1.26 -5.05 117.35 114.31 2cm8 s TYR 46 Ca -0.05 -0.49 -0.01 0.00 -0.37 0.00 0.00 57.07 56.14 2cm8 s TYR 46 Cb 0.06 -1.04 0.46 0.00 -0.40 0.00 0.00 41.96 41.05 2cm8 s TYR 46 CO 0.90 -0.24 1.84 -0.09 -1.57 0.00 0.00 175.55 176.39 2cm8 h ARG 47 N 6.81 0.97 -0.62 -0.62 2.43 -1.98 -2.68 114.38 118.69 2cm8 h ARG 47 Ca -0.31 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2cm8 h ARG 47 Cb 1.18 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2cm8 h ARG 47 CO 0.48 0.64 0.00 -0.25 -1.51 0.00 0.00 179.97 179.33 2cm8 n ASP 48 N -4.62 3.68 -3.77 -3.80 8.00 -1.26 -4.76 116.55 110.02 2cm8 n ASP 48 Ca 0.16 -2.35 -0.29 0.00 0.71 0.00 0.00 54.79 53.03 2cm8 n ASP 48 Cb 0.28 -0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 40.72 2cm8 n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2cm8 s VAL 49 N -1.79 0.84 0.08 2.53 1.01 -1.01 -5.07 120.40 116.98 2cm8 s VAL 49 Ca 0.38 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2cm8 s VAL 49 Cb 0.25 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2cm8 s VAL 49 CO 0.18 -0.37 -0.08 -0.44 0.00 0.00 0.00 175.10 174.39 2cm8 s SER 50 N 1.68 1.12 0.18 3.32 0.01 -1.26 -4.65 113.70 114.10 2cm8 s SER 50 Ca 0.02 -0.78 -0.22 0.00 1.31 0.00 0.00 55.95 56.28 2cm8 s SER 50 Cb -0.17 0.05 -0.08 0.00 0.21 0.00 0.00 66.02 66.03 2cm8 s SER 50 CO -0.14 -0.31 0.72 -2.16 0.41 0.00 0.00 173.24 171.76 2cm8 s PRO 51 N -2.70 4.36 0.56 12.44 0.04 -1.26 -4.56 135.00 143.88 2cm8 s PRO 51 Ca 0.02 0.95 -0.20 0.00 0.04 0.00 0.00 61.00 61.82 2cm8 s PRO 51 Cb -0.03 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 2cm8 s PRO 51 CO -0.02 0.50 1.18 -0.06 0.04 0.00 0.00 177.00 178.64 2cm8 s PHE 52 N -1.32 2.54 0.28 0.56 0.08 -1.26 -4.60 117.98 114.26 2cm8 s PHE 52 Ca 0.38 1.52 -0.03 0.00 0.12 0.00 0.00 56.93 58.92 2cm8 s PHE 52 Cb -0.19 -3.42 0.38 0.00 -0.57 0.00 0.00 43.02 39.22 2cm8 s PHE 52 CO 0.23 -1.93 1.89 -0.44 -0.10 0.00 0.00 175.22 174.87 2cm8 h ASP 53 N 1.16 0.93 0.50 1.36 3.32 -1.41 -2.14 116.42 120.14 2cm8 h ASP 53 Ca -0.50 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.42 2cm8 h ASP 53 Cb 1.28 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 2cm8 h ASP 53 CO 0.56 0.76 -0.21 1.12 -1.72 0.00 0.00 179.24 179.76 2cm8 h HIS 54 N 1.04 0.00 -0.06 4.55 2.07 -1.92 -3.20 115.15 117.63 2cm8 h HIS 54 Ca 0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.78 2cm8 h HIS 54 Cb 0.06 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.04 2cm8 h HIS 54 CO 0.01 0.21 0.00 -1.13 -3.07 0.00 0.00 177.93 173.95 2cm8 n SER 55 N -3.69 1.95 -4.77 3.10 3.41 -1.18 -5.05 113.62 107.39 2cm8 n SER 55 Ca -0.01 -1.78 -0.35 0.00 -0.26 0.00 0.00 58.87 56.47 2cm8 n SER 55 Cb 0.33 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 2cm8 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cm8 s ARG 56 N -0.80 3.21 -0.11 4.33 1.70 -0.81 -0.68 118.95 125.79 2cm8 s ARG 56 Ca 0.04 1.57 -0.24 0.00 -0.47 0.00 0.00 55.73 56.64 2cm8 s ARG 56 Cb 0.02 -1.99 -0.03 0.00 -0.57 0.00 0.00 34.95 32.39 2cm8 s ARG 56 CO 0.03 -0.96 0.74 0.42 -1.08 0.00 0.00 175.30 174.45 2cm8 s ILE 57 N -1.89 4.99 -0.17 4.99 -1.09 -0.61 -4.79 121.20 122.62 2cm8 s ILE 57 Ca 0.72 1.49 -0.10 0.00 -2.23 0.00 0.00 60.65 60.53 2cm8 s ILE 57 Cb -0.23 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.53 2cm8 s ILE 57 CO 0.31 0.16 0.17 -0.54 -1.23 0.00 0.00 174.94 173.81 2cm8 s LYS 58 N 1.35 4.06 0.38 2.79 1.02 -1.26 -4.24 119.74 123.83 2cm8 s LYS 58 Ca 0.37 -0.13 -0.24 0.00 0.02 0.00 0.00 55.97 55.99 2cm8 s LYS 58 Cb -0.17 -3.37 -0.09 0.00 -0.52 0.00 0.00 37.83 33.67 2cm8 s LYS 58 CO 0.16 0.39 1.03 -0.51 -0.92 0.00 0.00 175.35 175.50 2cm8 s LEU 59 N 0.09 4.19 -1.31 3.17 1.43 -0.05 -4.94 118.68 121.25 2cm8 s LEU 59 Ca 0.11 2.00 -0.07 0.00 -1.03 0.00 0.00 54.13 55.14 2cm8 s LEU 59 Cb -0.12 -4.14 0.03 0.00 0.03 0.00 0.00 46.19 41.99 2cm8 s LEU 59 CO 0.01 -0.40 2.67 1.41 0.23 0.00 0.00 176.35 180.26 2cm8 n HIS 60 N 0.07 2.36 -4.10 0.29 8.25 -1.26 -4.62 115.22 116.21 2cm8 n HIS 60 Ca 0.04 -2.80 -0.15 0.00 -0.26 0.00 0.00 57.72 54.55 2cm8 n HIS 60 Cb 0.50 -2.02 -0.14 0.00 1.12 0.00 0.00 29.99 29.44 2cm8 n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2cm8 s GLN 61 N 0.03 0.36 0.31 -0.41 -2.07 -1.26 -5.03 119.66 111.59 2cm8 s GLN 61 Ca 0.60 -0.14 0.12 0.00 -1.82 0.00 0.00 55.36 54.13 2cm8 s GLN 61 Cb 0.20 -0.36 0.50 0.00 -1.09 0.00 0.00 33.01 32.27 2cm8 s GLN 61 CO -0.09 0.07 1.69 1.05 -1.32 0.00 0.00 175.29 176.70 2cm8 h GLU 62 N 6.14 0.00 0.00 9.60 4.11 -2.03 -3.36 114.58 129.05 2cm8 h GLU 62 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 2cm8 h GLU 62 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2cm8 h GLU 62 CO 0.50 0.52 0.00 -0.25 0.07 0.00 0.00 179.01 179.85 2cm8 n ASP 63 N -3.84 0.00 -3.67 3.06 9.92 -1.26 -4.72 116.55 116.03 2cm8 n ASP 63 Ca -0.01 0.21 -0.21 0.00 -0.53 0.00 0.00 54.79 54.25 2cm8 n ASP 63 Cb 0.54 0.00 -0.18 0.00 -0.64 0.00 0.00 41.12 40.84 2cm8 n ASP 63 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2cm8 s ASN 64 N -2.65 1.35 -0.02 -2.24 3.84 -1.26 -5.04 114.94 108.91 2cm8 s ASN 64 Ca 0.00 -0.03 0.11 0.00 0.21 0.00 0.00 52.86 53.15 2cm8 s ASN 64 Cb 0.00 -0.18 0.37 0.00 -0.55 0.00 0.00 41.25 40.89 2cm8 s ASN 64 CO 0.00 -0.26 1.27 -0.90 -2.79 0.00 0.00 177.10 174.42 2cm8 n ASP 65 N 5.28 2.41 -4.74 -4.21 5.68 -1.26 -4.81 116.55 114.90 2cm8 n ASP 65 Ca -0.04 -2.09 -0.40 0.00 -0.50 0.00 0.00 54.79 51.76 2cm8 n ASP 65 Cb 0.50 -0.33 -0.05 0.00 -1.14 0.00 0.00 41.12 40.10 2cm8 n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2cm8 s TYR 66 N -1.55 3.66 -0.04 2.11 5.04 -1.26 -0.87 117.35 124.43 2cm8 s TYR 66 Ca 0.27 1.33 -0.08 0.00 -2.44 0.00 0.00 57.07 56.15 2cm8 s TYR 66 Cb 0.16 -2.77 0.01 0.00 0.35 0.00 0.00 41.96 39.71 2cm8 s TYR 66 CO 0.17 0.22 0.19 -1.50 -1.34 0.00 0.00 175.55 173.28 2cm8 s ILE 67 N 0.26 0.04 -1.13 3.14 2.07 -1.26 -4.94 121.20 119.38 2cm8 s ILE 67 Ca 0.37 -0.30 -0.21 0.00 -1.41 0.00 0.00 60.65 59.10 2cm8 s ILE 67 Cb -0.19 -0.38 0.06 0.00 0.13 0.00 0.00 42.46 42.09 2cm8 s ILE 67 CO 0.20 -0.17 1.55 0.21 -1.91 0.00 0.00 174.94 174.82 2cm8 s ASN 68 N -0.59 6.65 -0.16 4.50 3.84 -1.26 -4.66 114.94 123.26 2cm8 s ASN 68 Ca -0.07 -1.89 -0.21 0.00 0.21 0.00 0.00 52.86 50.90 2cm8 s ASN 68 Cb -0.04 -2.56 0.05 0.00 -0.55 0.00 0.00 41.25 38.15 2cm8 s ASN 68 CO 0.01 -1.34 0.55 0.00 -2.79 0.00 0.00 177.10 173.53 2cm8 s ALA 69 N 4.52 -1.38 0.02 1.71 0.00 -1.26 -2.80 121.76 122.58 2cm8 s ALA 69 Ca 0.49 1.39 0.05 0.00 0.00 0.00 0.00 51.96 53.89 2cm8 s ALA 69 Cb 0.01 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 2cm8 s ALA 69 CO -0.03 -0.28 -0.16 -1.12 0.00 0.00 0.00 175.76 174.17 2cm8 s SER 70 N -0.14 1.86 -0.31 0.00 0.01 0.11 -1.57 113.70 113.66 2cm8 s SER 70 Ca -0.03 -0.41 -0.16 0.00 1.31 0.00 0.00 55.95 56.65 2cm8 s SER 70 Cb -0.03 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 2cm8 s SER 70 CO 0.03 0.11 0.44 -0.22 0.41 0.00 0.00 173.24 174.00 2cm8 s LEU 71 N -0.88 4.22 -0.47 2.44 2.96 0.15 -0.80 118.68 126.31 2cm8 s LEU 71 Ca 0.04 0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 53.90 2cm8 s LEU 71 Cb -0.07 -2.49 0.07 0.00 0.50 0.00 0.00 46.19 44.19 2cm8 s LEU 71 CO 0.01 -0.33 0.40 -0.63 -1.32 0.00 0.00 176.35 174.48 2cm8 s ILE 72 N 2.20 5.22 -0.41 6.68 1.09 0.11 -4.87 121.20 131.23 2cm8 s ILE 72 Ca 0.16 -1.00 -0.11 0.00 -1.10 0.00 0.00 60.65 58.60 2cm8 s ILE 72 Cb -0.16 -4.12 0.05 0.00 -1.06 0.00 0.00 42.46 37.18 2cm8 s ILE 72 CO 0.11 -0.57 0.26 -0.75 -0.10 0.00 0.00 174.94 173.90 2cm8 s LYS 73 N 1.69 2.79 -0.68 2.79 2.20 -1.26 -1.32 119.74 125.95 2cm8 s LYS 73 Ca 0.05 -1.24 -0.18 0.00 -0.36 0.00 0.00 55.97 54.23 2cm8 s LYS 73 Cb -0.24 -3.83 0.12 0.00 -1.51 0.00 0.00 37.83 32.37 2cm8 s LYS 73 CO 0.07 -0.84 0.79 -1.64 -0.36 0.00 0.00 175.35 173.38 2cm8 s MET 74 N 1.54 3.21 0.05 4.03 -1.94 -0.41 -4.94 119.30 120.84 2cm8 s MET 74 Ca 0.03 -1.52 -0.22 0.00 -1.71 0.00 0.00 55.69 52.27 2cm8 s MET 74 Cb -0.21 -4.39 -0.10 0.00 2.01 0.00 0.00 34.83 32.13 2cm8 s MET 74 CO 0.05 -1.56 1.34 1.49 -0.01 0.00 0.00 175.02 176.33 2cm8 h GLU 75 N 8.97 -0.57 -0.32 2.03 4.81 -1.96 0.38 114.58 127.91 2cm8 h GLU 75 Ca -0.17 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2cm8 h GLU 75 Cb 1.07 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 2cm8 h GLU 75 CO 1.06 -0.38 0.08 1.49 -0.73 0.00 0.00 179.01 180.53 2cm8 h GLU 76 N -0.59 0.19 0.00 1.92 4.81 -1.97 -1.96 114.58 116.98 2cm8 h GLU 76 Ca -0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2cm8 h GLU 76 Cb 0.52 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 2cm8 h GLU 76 CO -0.06 0.13 -0.08 0.00 -0.73 0.00 0.00 179.01 178.26 2cm8 h ALA 77 N 1.23 1.03 -4.70 2.92 0.00 -1.92 -3.47 119.26 114.35 2cm8 h ALA 77 Ca 0.15 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.68 2cm8 h ALA 77 Cb 0.16 -0.01 0.11 0.00 0.00 0.00 0.00 17.79 18.04 2cm8 h ALA 77 CO -0.19 0.11 -0.52 1.04 0.00 0.00 0.00 179.25 179.69 2cm8 n GLN 78 N -3.23 -6.10 -4.08 0.00 6.02 0.13 -4.89 117.38 105.23 2cm8 n GLN 78 Ca 0.00 0.63 -0.14 0.00 -0.01 0.00 0.00 57.00 57.48 2cm8 n GLN 78 Cb 0.34 -5.09 -0.14 0.00 1.02 0.00 0.00 30.24 26.37 2cm8 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2cm8 s ARG 79 N -6.00 0.35 0.15 -1.09 3.52 -1.03 -4.94 118.95 109.91 2cm8 s ARG 79 Ca 0.45 -0.27 0.11 0.00 -0.13 0.00 0.00 55.73 55.88 2cm8 s ARG 79 Cb -0.20 -0.28 -0.04 0.00 -1.56 0.00 0.00 34.95 32.87 2cm8 s ARG 79 CO 0.56 0.07 -0.24 -1.12 -0.81 0.00 0.00 175.30 173.76 2cm8 s SER 80 N -0.42 3.50 0.01 -2.12 0.01 -1.26 -1.29 113.70 112.13 2cm8 s SER 80 Ca -0.01 -0.75 -0.01 0.00 1.31 0.00 0.00 55.95 56.48 2cm8 s SER 80 Cb -0.03 -0.31 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 2cm8 s SER 80 CO -0.00 0.15 0.01 -0.31 0.41 0.00 0.00 173.24 173.50 2cm8 s TYR 81 N -1.33 0.15 -0.28 2.43 1.51 -0.43 -4.11 117.35 115.29 2cm8 s TYR 81 Ca 0.18 -0.32 -0.07 0.00 -1.01 0.00 0.00 57.07 55.85 2cm8 s TYR 81 Cb -0.09 -0.12 -0.00 0.00 -0.11 0.00 0.00 41.96 41.64 2cm8 s TYR 81 CO 0.09 -0.15 0.07 0.42 -1.11 0.00 0.00 175.55 174.86 2cm8 s ILE 82 N -1.04 4.01 -0.19 2.71 1.01 -0.14 0.08 121.20 127.64 2cm8 s ILE 82 Ca -0.11 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 2cm8 s ILE 82 Cb -0.07 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 2cm8 s ILE 82 CO -0.00 0.16 0.08 -0.76 0.00 0.00 0.00 174.94 174.42 2cm8 s LEU 83 N 1.53 3.95 0.14 2.97 1.02 0.02 -0.21 118.68 128.10 2cm8 s LEU 83 Ca 0.04 0.13 -0.02 0.00 0.02 0.00 0.00 54.13 54.31 2cm8 s LEU 83 Cb -0.16 -2.00 -0.04 0.00 0.02 0.00 0.00 46.19 44.00 2cm8 s LEU 83 CO 0.02 0.18 0.08 0.28 0.02 0.00 0.00 176.35 176.93 2cm8 s THR 84 N 0.34 0.09 0.67 5.49 -1.32 -0.65 -0.71 115.64 119.55 2cm8 s THR 84 Ca 0.05 -1.88 -0.10 0.00 -1.21 0.00 0.00 61.69 58.55 2cm8 s THR 84 Cb -0.12 -2.07 0.02 0.00 -1.51 0.00 0.00 72.50 68.82 2cm8 s THR 84 CO -0.01 -0.41 1.04 0.00 -2.21 0.00 0.00 174.62 173.03 2cm8 s GLN 85 N -4.05 2.82 0.13 7.08 -2.07 -1.12 -3.66 119.66 118.79 2cm8 s GLN 85 Ca 0.25 0.29 -0.31 0.00 -1.82 0.00 0.00 55.36 53.76 2cm8 s GLN 85 Cb 0.07 -2.10 -0.09 0.00 -1.09 0.00 0.00 33.01 29.80 2cm8 s GLN 85 CO 0.03 -0.96 1.47 0.20 -1.32 0.00 0.00 175.29 174.71 2cm8 s GLY 86 N -4.36 1.79 0.48 2.60 0.00 -0.61 -4.86 107.32 102.36 2cm8 s GLY 86 Ca 0.57 1.22 -0.22 0.00 0.00 0.00 0.00 44.72 46.30 2cm8 s GLY 86 CO 0.49 2.48 0.80 -1.05 0.00 0.00 0.00 173.10 175.82 2cm8 n PRO 87 N 4.01 0.92 -3.37 2.90 -0.02 -1.26 -4.74 135.00 133.44 2cm8 n PRO 87 Ca 0.13 0.34 -0.19 0.00 -2.02 0.00 0.00 63.50 61.75 2cm8 n PRO 87 Cb 0.41 -1.87 -0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2cm8 n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2cm8 s LEU 88 N 0.02 3.90 0.53 2.45 1.43 -1.26 -1.20 118.68 124.55 2cm8 s LEU 88 Ca 0.66 -0.16 0.25 0.00 -1.03 0.00 0.00 54.13 53.86 2cm8 s LEU 88 Cb -0.52 -2.79 1.40 0.00 0.03 0.00 0.00 46.19 44.31 2cm8 s LEU 88 CO 0.55 -0.50 2.00 -0.65 0.23 0.00 0.00 176.35 177.98 2cm8 h PRO 89 N 0.81 0.00 -0.01 1.29 0.11 -1.96 -0.75 132.00 131.49 2cm8 h PRO 89 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2cm8 h PRO 89 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2cm8 h PRO 89 CO 0.52 0.00 -0.33 0.27 -0.21 0.00 0.00 178.00 178.25 2cm8 n ASN 90 N -4.35 1.69 -0.39 -2.05 6.94 -1.26 -4.36 115.26 111.48 2cm8 n ASN 90 Ca 0.09 -1.31 0.04 0.00 -0.02 0.00 0.00 54.58 53.38 2cm8 n ASN 90 Cb 0.60 0.29 0.11 0.00 -2.36 0.00 0.00 39.78 38.41 2cm8 n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2cm8 n THR 91 N -0.15 1.20 -0.21 5.53 -2.24 -0.30 -4.65 114.28 113.45 2cm8 n THR 91 Ca 0.11 -1.18 -0.09 0.00 -2.27 0.00 0.00 64.05 60.62 2cm8 n THR 91 Cb 0.43 0.37 0.03 0.00 -2.10 0.00 0.00 70.33 69.06 2cm8 n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cm8 h GLY 93 N 1.00 1.18 0.98 0.00 0.00 -1.90 -2.06 103.07 102.27 2cm8 h GLY 93 Ca 0.17 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 2cm8 h GLY 93 CO 0.03 0.65 0.28 0.45 0.00 0.00 0.00 176.54 177.95 2cm8 h HIS 94 N 1.04 0.72 -0.15 5.60 3.86 -1.75 0.59 115.15 125.06 2cm8 h HIS 94 Ca 0.23 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.45 2cm8 h HIS 94 Cb 0.30 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 2cm8 h HIS 94 CO 0.02 0.54 -0.06 0.35 0.86 0.00 0.00 177.93 179.64 2cm8 h PHE 95 N 0.69 -0.14 -0.00 2.45 3.57 -0.69 0.64 116.94 123.46 2cm8 h PHE 95 Ca 0.18 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 2cm8 h PHE 95 Cb 0.07 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2cm8 h PHE 95 CO -0.01 -0.10 -0.51 -1.49 -2.23 0.00 0.00 178.31 173.96 2cm8 h TRP 96 N -0.04 0.01 -0.77 0.41 4.06 -1.21 -1.63 115.95 116.79 2cm8 h TRP 96 Ca 0.08 -0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.99 2cm8 h TRP 96 Cb 0.16 -0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.28 2cm8 h TRP 96 CO -0.20 0.52 0.32 1.49 -3.56 0.00 0.00 178.44 177.00 2cm8 h GLU 97 N 0.01 1.14 -0.49 0.49 4.81 -0.16 -0.87 114.58 119.51 2cm8 h GLU 97 Ca -0.00 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 2cm8 h GLU 97 Cb 0.91 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2cm8 h GLU 97 CO 0.07 0.92 0.11 1.98 -0.73 0.00 0.00 179.01 181.36 2cm8 h MET 98 N 1.10 0.80 -0.58 1.92 4.05 -0.44 -0.19 114.93 121.58 2cm8 h MET 98 Ca 0.26 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2cm8 h MET 98 Cb 0.20 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 2cm8 h MET 98 CO -0.02 0.78 0.36 0.28 0.23 0.00 0.00 176.91 178.54 2cm8 h VAL 99 N 0.68 1.17 0.41 -5.77 2.07 -0.91 -0.87 116.25 113.02 2cm8 h VAL 99 Ca 0.15 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2cm8 h VAL 99 Cb 0.35 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2cm8 h VAL 99 CO 0.00 0.17 -0.19 -0.25 0.02 0.00 0.00 177.57 177.32 2cm8 h TRP 100 N 0.79 -0.50 -0.20 1.57 2.91 -0.87 -2.36 115.95 117.28 2cm8 h TRP 100 Ca 0.21 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.21 2cm8 h TRP 100 Cb -0.04 0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.76 2cm8 h TRP 100 CO -0.03 -0.20 0.10 0.93 -1.03 0.00 0.00 178.44 178.22 2cm8 h GLU 101 N -0.79 0.27 -0.01 2.65 5.08 -0.98 -1.59 114.58 119.21 2cm8 h GLU 101 Ca -0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2cm8 h GLU 101 Cb 0.53 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2cm8 h GLU 101 CO 0.09 0.21 -0.07 1.04 -1.00 0.00 0.00 179.01 179.28 2cm8 n GLN 102 N -4.48 1.29 -2.79 2.33 1.13 -0.34 -4.93 117.38 109.59 2cm8 n GLN 102 Ca -0.00 -0.65 -0.22 0.00 -1.94 0.00 0.00 57.00 54.19 2cm8 n GLN 102 Cb 0.10 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 28.98 2cm8 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2cm8 n LYS 103 N -0.29 -3.72 -2.28 -1.09 5.02 -0.60 -3.98 118.16 111.23 2cm8 n LYS 103 Ca 0.18 0.94 -0.36 0.00 -2.02 0.00 0.00 58.31 57.05 2cm8 n LYS 103 Cb 0.31 -5.72 -0.01 0.00 -0.02 0.00 0.00 35.03 29.60 2cm8 n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2cm8 s SER 104 N -2.48 6.05 -0.14 4.39 0.01 -0.93 -0.33 113.70 120.27 2cm8 s SER 104 Ca 0.19 2.24 0.11 0.00 1.31 0.00 0.00 55.95 59.81 2cm8 s SER 104 Cb -0.08 -2.59 -0.17 0.00 0.21 0.00 0.00 66.02 63.39 2cm8 s SER 104 CO 0.24 -1.00 0.02 -1.14 0.41 0.00 0.00 173.24 171.77 2cm8 n ARG 105 N -0.75 1.57 -4.24 12.44 3.00 -1.26 -4.86 116.66 122.56 2cm8 n ARG 105 Ca 0.09 0.01 -0.19 0.00 -0.00 0.00 0.00 57.85 57.76 2cm8 n ARG 105 Cb 0.49 -1.36 -0.11 0.00 0.00 0.00 0.00 32.46 31.48 2cm8 n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2cm8 s GLY 106 N -4.84 1.07 -0.10 5.14 0.00 -1.26 -1.07 107.32 106.26 2cm8 s GLY 106 Ca -0.09 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.39 2cm8 s GLY 106 CO 0.56 -1.30 -0.11 0.14 0.00 0.00 0.00 173.10 172.39 2cm8 s VAL 107 N -1.90 1.17 -0.25 1.40 1.01 -0.31 -1.37 120.40 120.15 2cm8 s VAL 107 Ca 0.07 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2cm8 s VAL 107 Cb -0.06 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 2cm8 s VAL 107 CO 0.03 0.38 0.01 -0.69 0.00 0.00 0.00 175.10 174.83 2cm8 s VAL 108 N 1.20 3.64 -0.23 2.92 1.01 0.17 -0.95 120.40 128.16 2cm8 s VAL 108 Ca -0.04 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 2cm8 s VAL 108 Cb -0.14 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 2cm8 s VAL 108 CO -0.03 0.28 -0.01 -0.32 0.00 0.00 0.00 175.10 175.02 2cm8 s MET 109 N 1.49 3.46 0.00 2.72 0.00 0.04 -0.96 119.30 126.05 2cm8 s MET 109 Ca 0.04 -0.58 0.17 0.00 0.00 0.00 0.00 55.69 55.32 2cm8 s MET 109 Cb -0.16 -3.08 0.43 0.00 0.00 0.00 0.00 34.83 32.01 2cm8 s MET 109 CO -0.01 -0.18 1.34 1.28 0.00 0.00 0.00 175.02 177.46 2cm8 n LEU 110 N 4.78 3.30 -4.53 4.11 4.77 -0.33 -0.75 117.00 128.35 2cm8 n LEU 110 Ca -0.18 -1.81 -0.26 0.00 -0.03 0.00 0.00 56.01 53.73 2cm8 n LEU 110 Cb 0.51 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 2cm8 n LEU 110 CO 0.29 0.79 -0.21 0.54 -1.33 0.00 0.00 177.39 177.48 2cm8 s ASN 111 N -1.09 2.90 0.21 -1.43 4.22 -1.25 -4.51 114.94 113.98 2cm8 s ASN 111 Ca 0.34 -1.64 0.07 0.00 -2.14 0.00 0.00 52.86 49.49 2cm8 s ASN 111 Cb 0.18 0.44 -0.04 0.00 1.28 0.00 0.00 41.25 43.12 2cm8 s ASN 111 CO 0.25 -0.89 0.07 -0.13 -2.04 0.00 0.00 177.10 174.35 2cm8 s ARG 112 N -3.75 2.58 0.35 3.55 0.52 -1.26 -4.82 118.95 116.13 2cm8 s ARG 112 Ca 0.23 -1.12 0.04 0.00 -0.52 0.00 0.00 55.73 54.36 2cm8 s ARG 112 Cb 0.03 -2.41 0.67 0.00 0.52 0.00 0.00 34.95 33.76 2cm8 s ARG 112 CO 0.13 0.43 1.98 0.28 0.02 0.00 0.00 175.30 178.15 2cm8 h VAL 113 N 2.06 1.10 -3.48 3.52 2.07 -1.94 -3.40 116.25 116.18 2cm8 h VAL 113 Ca -0.47 -0.29 -0.61 0.00 0.82 0.00 0.00 66.70 66.15 2cm8 h VAL 113 Cb 1.22 0.20 -0.33 0.00 -1.52 0.00 0.00 31.29 30.86 2cm8 h VAL 113 CO 0.60 0.15 -0.85 -0.32 0.02 0.00 0.00 177.57 177.17 2cm8 s MET 114 N -5.72 2.41 0.01 1.57 -2.45 -1.26 -0.94 119.30 112.92 2cm8 s MET 114 Ca -0.10 -0.69 0.00 0.00 -1.25 0.00 0.00 55.69 53.65 2cm8 s MET 114 Cb 0.18 -1.90 -0.01 0.00 1.25 0.00 0.00 34.83 34.35 2cm8 s MET 114 CO 0.77 0.15 -0.02 -1.21 1.05 0.00 0.00 175.02 175.76 2cm8 s GLU 115 N 0.37 0.18 -1.56 4.11 2.02 -0.82 -4.86 118.70 118.14 2cm8 s GLU 115 Ca -0.15 -0.21 -0.08 0.00 0.02 0.00 0.00 54.97 54.55 2cm8 s GLU 115 Cb -0.16 -0.08 0.07 0.00 0.10 0.00 0.00 34.13 34.06 2cm8 s GLU 115 CO 0.06 0.01 0.51 1.63 0.02 0.00 0.00 175.26 177.50 2cm8 n LYS 116 N 2.64 -2.83 -0.91 1.61 5.02 -1.26 -1.55 118.16 120.88 2cm8 n LYS 116 Ca -0.15 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2cm8 n LYS 116 Cb 0.58 -4.63 0.00 0.00 -0.02 0.00 0.00 35.03 30.96 2cm8 n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cm8 n GLY 117 N -1.80 0.30 3.19 0.72 0.00 -1.26 -5.00 105.19 101.33 2cm8 n GLY 117 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 2cm8 n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cm8 s SER 118 N -2.15 0.99 -0.45 1.61 1.04 -0.60 -5.11 113.70 109.03 2cm8 s SER 118 Ca 0.00 -1.10 -0.29 0.00 0.48 0.00 0.00 55.95 55.04 2cm8 s SER 118 Cb 0.00 0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.29 2cm8 s SER 118 CO 0.00 -0.56 1.11 -0.76 0.98 0.00 0.00 173.24 174.01 2cm8 s LEU 119 N -3.09 3.71 0.00 2.42 1.43 -1.26 -1.94 118.68 119.95 2cm8 s LEU 119 Ca 0.18 0.53 0.24 0.00 -1.03 0.00 0.00 54.13 54.04 2cm8 s LEU 119 Cb 0.06 -3.52 0.27 0.00 0.03 0.00 0.00 46.19 43.04 2cm8 s LEU 119 CO -0.01 -1.18 1.25 0.29 0.23 0.00 0.00 176.35 176.93 2cm8 n LYS 120 N 7.64 0.08 -3.61 1.70 4.76 -0.12 -4.97 118.16 123.65 2cm8 n LYS 120 Ca 0.11 -0.05 -0.09 0.00 -2.87 0.00 0.00 58.31 55.41 2cm8 n LYS 120 Cb 0.49 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.12 2cm8 n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2cm8 s ALA 122 N -0.55 2.58 -1.16 0.00 0.00 -0.34 -4.75 121.76 117.53 2cm8 s ALA 122 Ca 0.01 0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 2cm8 s ALA 122 Cb -0.02 -3.16 0.10 0.00 0.00 0.00 0.00 23.12 20.04 2cm8 s ALA 122 CO -0.03 -1.34 1.50 -1.14 0.00 0.00 0.00 175.76 174.75 2cm8 s GLN 123 N -5.06 3.88 0.00 0.00 2.00 -1.26 -4.81 119.66 114.41 2cm8 s GLN 123 Ca 0.59 -1.96 0.30 0.00 -2.00 0.00 0.00 55.36 52.29 2cm8 s GLN 123 Cb -0.14 -5.27 1.38 0.00 0.80 0.00 0.00 33.01 29.78 2cm8 s GLN 123 CO 0.55 -2.04 1.93 2.48 -0.50 0.00 0.00 175.29 177.72 2cm8 n TYR 124 N 7.43 0.00 -4.22 1.67 0.18 -1.26 -4.85 117.16 116.11 2cm8 n TYR 124 Ca 0.39 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.99 2cm8 n TYR 124 Cb 0.47 -0.01 -0.11 0.00 -0.38 0.00 0.00 39.34 39.30 2cm8 n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2cm8 s TRP 125 N -2.02 1.32 0.19 -3.48 -2.14 -1.26 -5.06 118.94 106.48 2cm8 s TRP 125 Ca 0.41 -0.56 -0.30 0.00 2.66 0.00 0.00 56.10 58.31 2cm8 s TRP 125 Cb 0.21 -0.70 -0.08 0.00 -3.10 0.00 0.00 33.47 29.80 2cm8 s TRP 125 CO 0.36 0.11 1.19 -1.25 -2.66 0.00 0.00 176.95 174.70 2cm8 s PRO 126 N -2.57 4.50 0.20 3.25 0.04 -1.26 -4.95 135.00 134.21 2cm8 s PRO 126 Ca 0.07 1.87 0.23 0.00 0.04 0.00 0.00 61.00 63.21 2cm8 s PRO 126 Cb -0.05 -3.24 0.24 0.00 0.04 0.00 0.00 34.50 31.49 2cm8 s PRO 126 CO 0.02 -0.07 1.27 1.96 0.04 0.00 0.00 177.00 180.23 2cm8 h GLN 127 N 5.15 0.00 -4.90 4.56 4.20 -1.98 -3.43 115.11 118.71 2cm8 h GLN 127 Ca -0.45 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 57.78 2cm8 h GLN 127 Cb 1.21 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 28.69 2cm8 h GLN 127 CO 0.74 0.00 -0.81 0.15 -0.67 0.00 0.00 178.83 178.24 2cm8 s LYS 128 N -3.24 1.27 0.24 1.46 1.02 -1.26 -5.05 119.74 114.17 2cm8 s LYS 128 Ca 0.04 -0.43 -0.06 0.00 0.02 0.00 0.00 55.97 55.54 2cm8 s LYS 128 Cb 0.11 -1.15 0.43 0.00 -0.52 0.00 0.00 37.83 36.70 2cm8 s LYS 128 CO 0.73 0.17 1.67 0.93 -0.92 0.00 0.00 175.35 177.94 2cm8 h GLU 129 N 6.30 0.20 0.00 1.68 3.07 -1.90 -1.54 114.58 122.39 2cm8 h GLU 129 Ca -0.33 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 2cm8 h GLU 129 Cb 1.17 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 2cm8 h GLU 129 CO 0.48 0.13 0.00 -0.85 -1.40 0.00 0.00 179.01 177.38 2cm8 n GLU 130 N -5.21 0.59 -3.60 2.33 0.00 -1.26 -4.20 120.64 109.28 2cm8 n GLU 130 Ca 0.13 0.02 -0.30 0.00 0.00 0.00 0.00 57.16 57.01 2cm8 n GLU 130 Cb 0.45 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.30 2cm8 n GLU 130 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2cm8 n LYS 131 N -1.17 2.45 -1.54 3.44 4.76 -0.58 -5.09 118.16 120.43 2cm8 n LYS 131 Ca 0.16 -4.57 -0.30 0.00 -2.87 0.00 0.00 58.31 50.73 2cm8 n LYS 131 Cb 0.17 -2.32 0.09 0.00 -1.84 0.00 0.00 35.03 31.14 2cm8 n LYS 131 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2cm8 s GLU 132 N -1.96 2.02 -0.01 1.97 1.03 -1.26 -4.59 118.70 115.90 2cm8 s GLU 132 Ca 0.32 0.63 0.06 0.00 0.03 0.00 0.00 54.97 56.01 2cm8 s GLU 132 Cb 0.04 -1.91 -0.03 0.00 -0.80 0.00 0.00 34.13 31.43 2cm8 s GLU 132 CO -0.08 -1.67 -0.17 -1.64 -1.33 0.00 0.00 175.26 170.38 2cm8 s MET 133 N -5.15 2.28 -0.13 -4.83 -1.94 -0.05 -4.99 119.30 104.49 2cm8 s MET 133 Ca 0.61 -0.84 0.02 0.00 -1.71 0.00 0.00 55.69 53.77 2cm8 s MET 133 Cb -0.15 -2.27 0.01 0.00 2.01 0.00 0.00 34.83 34.44 2cm8 s MET 133 CO 0.54 0.58 -0.19 0.42 -0.01 0.00 0.00 175.02 176.36 2cm8 s ILE 134 N -0.81 1.83 -0.54 2.53 -1.09 -1.26 -0.57 121.20 121.29 2cm8 s ILE 134 Ca 0.13 -0.84 -0.12 0.00 -2.23 0.00 0.00 60.65 57.59 2cm8 s ILE 134 Cb -0.11 -1.65 0.13 0.00 -1.58 0.00 0.00 42.46 39.26 2cm8 s ILE 134 CO 0.03 0.51 0.46 -0.36 -1.23 0.00 0.00 174.94 174.34 2cm8 s PHE 135 N 0.96 3.38 0.25 3.97 0.08 -0.11 -4.95 117.98 121.56 2cm8 s PHE 135 Ca -0.05 -1.66 -0.04 0.00 0.12 0.00 0.00 56.93 55.30 2cm8 s PHE 135 Cb -0.15 -3.65 0.30 0.00 -0.57 0.00 0.00 43.02 38.95 2cm8 s PHE 135 CO -0.03 -1.00 1.79 0.93 -0.10 0.00 0.00 175.22 176.81 2cm8 h GLU 136 N 8.53 0.95 -0.98 0.44 5.08 -1.97 -0.38 114.58 126.26 2cm8 h GLU 136 Ca -0.21 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 2cm8 h GLU 136 Cb 1.08 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 2cm8 h GLU 136 CO 0.93 0.84 0.64 0.38 -1.00 0.00 0.00 179.01 180.80 2cm8 h ASP 137 N 0.91 1.09 -0.35 1.42 2.03 -1.97 -2.85 116.42 116.69 2cm8 h ASP 137 Ca 0.20 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 2cm8 h ASP 137 Cb 0.31 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 2cm8 h ASP 137 CO -0.00 0.76 0.00 0.35 -1.03 0.00 0.00 179.24 179.32 2cm8 n THR 138 N -4.42 0.63 -3.67 1.15 -2.24 -1.16 -4.99 114.28 99.58 2cm8 n THR 138 Ca 0.13 -0.81 -0.23 0.00 -2.27 0.00 0.00 64.05 60.86 2cm8 n THR 138 Cb 0.06 0.82 0.04 0.00 -2.10 0.00 0.00 70.33 69.15 2cm8 n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2cm8 n ASN 139 N 1.06 -2.47 -4.21 3.42 5.15 -0.19 -4.91 115.26 113.10 2cm8 n ASN 139 Ca 0.15 -0.86 -0.23 0.00 -0.60 0.00 0.00 54.58 53.04 2cm8 n ASN 139 Cb 0.50 -3.98 -0.14 0.00 -0.53 0.00 0.00 39.78 35.63 2cm8 n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2cm8 s LEU 140 N -6.52 2.17 -0.05 1.20 1.43 -0.94 -1.93 118.68 114.04 2cm8 s LEU 140 Ca 0.14 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 2cm8 s LEU 140 Cb -0.04 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 2cm8 s LEU 140 CO 0.82 0.10 -0.22 -0.75 0.23 0.00 0.00 176.35 176.53 2cm8 s LYS 141 N -1.18 2.49 -0.10 1.70 2.20 -0.17 -0.93 119.74 123.75 2cm8 s LYS 141 Ca 0.05 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 2cm8 s LYS 141 Cb -0.08 -2.21 0.02 0.00 -1.51 0.00 0.00 37.83 34.04 2cm8 s LYS 141 CO 0.02 0.47 -0.08 -1.17 -0.36 0.00 0.00 175.35 174.23 2cm8 s LEU 142 N -0.37 1.24 -0.05 5.43 2.96 0.26 -0.37 118.68 127.79 2cm8 s LEU 142 Ca 0.03 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 2cm8 s LEU 142 Cb -0.12 -0.80 -0.00 0.00 0.50 0.00 0.00 46.19 45.77 2cm8 s LEU 142 CO 0.02 -0.09 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.87 2cm8 s THR 143 N 1.49 1.67 -0.11 3.68 2.01 -0.54 -0.87 115.64 122.97 2cm8 s THR 143 Ca 0.01 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.87 2cm8 s THR 143 Cb -0.13 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 2cm8 s THR 143 CO -0.05 0.47 1.13 -0.22 -0.69 0.00 0.00 174.62 175.26 2cm8 s LEU 144 N 0.02 4.23 -0.21 4.42 2.96 -1.26 -0.60 118.68 128.24 2cm8 s LEU 144 Ca -0.05 1.65 0.01 0.00 -0.22 0.00 0.00 54.13 55.52 2cm8 s LEU 144 Cb -0.13 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.81 2cm8 s LEU 144 CO 0.03 -0.58 -0.02 -0.38 -1.32 0.00 0.00 176.35 174.09 2cm8 n ILE 145 N 4.80 1.58 -3.63 6.68 2.08 0.67 -4.39 119.36 127.14 2cm8 n ILE 145 Ca 0.11 -0.62 -0.01 0.00 0.56 0.00 0.00 62.75 62.79 2cm8 n ILE 145 Cb 0.47 -1.45 -0.01 0.00 -0.75 0.00 0.00 39.64 37.89 2cm8 n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2cm8 s SER 146 N -6.61 -0.12 -0.05 4.38 1.04 -1.11 -4.98 113.70 106.25 2cm8 s SER 146 Ca -0.29 -0.15 -0.14 0.00 0.48 0.00 0.00 55.95 55.85 2cm8 s SER 146 Cb 0.08 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.47 2cm8 s SER 146 CO 0.67 -0.43 0.31 -1.83 0.98 0.00 0.00 173.24 172.94 2cm8 s GLU 147 N -2.65 0.58 -0.31 4.02 -1.05 -1.26 -1.10 118.70 116.94 2cm8 s GLU 147 Ca 0.12 -0.00 0.02 0.00 -0.15 0.00 0.00 54.97 54.96 2cm8 s GLU 147 Cb 0.02 0.26 0.09 0.00 -0.44 0.00 0.00 34.13 34.06 2cm8 s GLU 147 CO -0.03 -0.14 0.03 0.34 0.95 0.00 0.00 175.26 176.40 2cm8 s ASP 148 N -0.89 4.43 -0.17 0.83 2.15 0.45 -4.98 116.67 118.50 2cm8 s ASP 148 Ca -0.10 -1.81 -0.23 0.00 0.43 0.00 0.00 52.55 50.84 2cm8 s ASP 148 Cb -0.04 -1.38 -0.02 0.00 -0.30 0.00 0.00 42.92 41.17 2cm8 s ASP 148 CO 0.03 -0.34 0.73 -0.63 -0.17 0.00 0.00 175.17 174.79 2cm8 s ILE 149 N 1.15 4.95 0.55 4.11 1.01 -1.26 -1.43 121.20 130.29 2cm8 s ILE 149 Ca 0.06 1.43 0.03 0.00 0.00 0.00 0.00 60.65 62.17 2cm8 s ILE 149 Cb -0.19 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.27 2cm8 s ILE 149 CO -0.11 0.08 0.28 -0.54 0.00 0.00 0.00 174.94 174.65 2cm8 s LYS 150 N 1.92 2.23 0.20 2.79 -0.14 0.17 -5.00 119.74 121.91 2cm8 s LYS 150 Ca 0.34 -2.20 -0.10 0.00 -1.36 0.00 0.00 55.97 52.65 2cm8 s LYS 150 Cb -0.16 -1.89 0.12 0.00 -1.68 0.00 0.00 37.83 34.22 2cm8 s LYS 150 CO 0.12 -0.59 1.77 0.66 -0.76 0.00 0.00 175.35 176.55 2cm8 h SER 151 N 0.88 0.95 0.00 2.83 4.64 -0.80 -3.33 113.55 118.72 2cm8 h SER 151 Ca -0.39 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2cm8 h SER 151 Cb 1.32 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2cm8 h SER 151 CO 0.62 0.83 0.00 0.00 -0.87 0.00 0.00 176.83 177.41 2cm8 n TYR 152 N -4.40 0.00 -3.62 4.77 4.11 -1.26 -4.98 117.16 111.77 2cm8 n TYR 152 Ca 0.06 -0.21 -0.13 0.00 -0.00 0.00 0.00 57.90 57.61 2cm8 n TYR 152 Cb 0.15 -0.02 -0.06 0.00 -0.00 0.00 0.00 39.34 39.41 2cm8 n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 2cm8 s TYR 153 N -0.41 -0.35 0.01 -3.48 -0.85 -1.25 -0.25 117.35 110.76 2cm8 s TYR 153 Ca 0.00 0.38 0.04 0.00 -0.52 0.00 0.00 57.07 56.97 2cm8 s TYR 153 Cb 0.00 0.28 -0.01 0.00 0.38 0.00 0.00 41.96 42.60 2cm8 s TYR 153 CO 0.00 -0.60 -0.13 0.99 -1.52 0.00 0.00 175.55 174.29 2cm8 s THR 154 N -2.36 1.02 -0.15 -3.49 2.01 -0.34 -0.65 115.64 111.68 2cm8 s THR 154 Ca -0.06 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.25 2cm8 s THR 154 Cb -0.01 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.62 2cm8 s THR 154 CO -0.01 0.17 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.23 2cm8 s VAL 155 N -0.50 2.45 0.08 3.82 1.01 -0.52 -0.51 120.40 126.24 2cm8 s VAL 155 Ca 0.03 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.27 2cm8 s VAL 155 Cb -0.06 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2cm8 s VAL 155 CO 0.00 0.53 -0.27 -0.13 0.00 0.00 0.00 175.10 175.23 2cm8 s ARG 156 N 0.84 1.61 -0.23 2.72 0.52 0.47 -0.41 118.95 124.48 2cm8 s ARG 156 Ca -0.05 -1.22 -0.07 0.00 -0.52 0.00 0.00 55.73 53.86 2cm8 s ARG 156 Cb -0.15 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.35 2cm8 s ARG 156 CO -0.01 0.48 0.06 -1.14 0.02 0.00 0.00 175.30 174.72 2cm8 s GLN 157 N -1.62 3.72 0.19 3.54 0.74 -0.26 -0.47 119.66 125.50 2cm8 s GLN 157 Ca 0.13 -0.45 0.11 0.00 0.05 0.00 0.00 55.36 55.19 2cm8 s GLN 157 Cb -0.10 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.68 2cm8 s GLN 157 CO 0.04 -0.08 -0.20 -0.51 -0.55 0.00 0.00 175.29 173.99 2cm8 s LEU 158 N 1.32 2.60 -0.20 3.68 1.43 0.66 -0.24 118.68 127.94 2cm8 s LEU 158 Ca 0.05 -0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 52.37 2cm8 s LEU 158 Cb -0.15 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 44.76 2cm8 s LEU 158 CO 0.03 0.12 -0.14 -0.70 0.23 0.00 0.00 176.35 175.89 2cm8 s GLU 159 N -2.69 3.14 -0.18 1.70 2.12 0.24 -0.47 118.70 122.55 2cm8 s GLU 159 Ca 0.22 -0.75 -0.06 0.00 0.36 0.00 0.00 54.97 54.74 2cm8 s GLU 159 Cb -0.08 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.53 2cm8 s GLU 159 CO 0.11 -0.21 0.02 -1.17 -0.54 0.00 0.00 175.26 173.48 2cm8 s LEU 160 N 1.36 3.50 -0.10 2.70 2.96 0.89 -1.47 118.68 128.51 2cm8 s LEU 160 Ca 0.05 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 2cm8 s LEU 160 Cb -0.13 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.69 2cm8 s LEU 160 CO -0.09 0.13 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.18 2cm8 s GLU 161 N 0.60 2.54 -0.65 1.98 2.12 0.50 -0.01 118.70 125.78 2cm8 s GLU 161 Ca 0.01 -0.69 -0.27 0.00 0.36 0.00 0.00 54.97 54.38 2cm8 s GLU 161 Cb -0.14 -2.04 0.03 0.00 0.26 0.00 0.00 34.13 32.25 2cm8 s GLU 161 CO 0.02 0.04 1.18 1.21 -0.54 0.00 0.00 175.26 177.16 2cm8 s ASN 162 N 0.70 6.30 0.67 -1.70 3.84 -0.01 -1.00 114.94 123.74 2cm8 s ASN 162 Ca -0.12 -0.26 0.44 0.00 0.21 0.00 0.00 52.86 53.14 2cm8 s ASN 162 Cb -0.16 -2.53 2.42 0.00 -0.55 0.00 0.00 41.25 40.43 2cm8 s ASN 162 CO 0.02 -1.59 2.37 -0.07 -2.79 0.00 0.00 177.10 175.05 2cm8 h LEU 163 N 12.19 0.00 -0.17 3.21 3.38 -1.68 0.43 115.31 132.67 2cm8 h LEU 163 Ca -0.27 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.56 2cm8 h LEU 163 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2cm8 h LEU 163 CO 1.21 0.00 -0.46 0.74 0.09 0.00 0.00 178.44 180.02 2cm8 h THR 164 N 0.00 1.33 0.00 0.22 2.02 -1.90 -3.33 112.91 111.25 2cm8 h THR 164 Ca -0.00 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.47 2cm8 h THR 164 Cb 0.01 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2cm8 h THR 164 CO 0.00 0.53 -0.74 0.35 0.37 0.00 0.00 175.52 176.03 2cm8 n THR 165 N -4.21 0.00 -1.05 3.16 -2.24 -0.98 -4.98 114.28 103.99 2cm8 n THR 165 Ca -0.06 -0.14 -0.02 0.00 -2.27 0.00 0.00 64.05 61.56 2cm8 n THR 165 Cb 0.57 0.99 -0.01 0.00 -2.10 0.00 0.00 70.33 69.78 2cm8 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cm8 n GLN 166 N -1.37 -0.98 -2.47 -0.78 6.02 0.15 -4.99 117.38 112.95 2cm8 n GLN 166 Ca 0.03 0.35 -0.37 0.00 -0.01 0.00 0.00 57.00 56.99 2cm8 n GLN 166 Cb 0.24 -4.14 -0.04 0.00 1.02 0.00 0.00 30.24 27.33 2cm8 n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2cm8 s GLU 167 N -1.30 4.19 0.11 -1.09 2.12 -1.21 -4.83 118.70 116.69 2cm8 s GLU 167 Ca 0.00 1.63 0.05 0.00 0.36 0.00 0.00 54.97 57.01 2cm8 s GLU 167 Cb 0.00 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.70 2cm8 s GLU 167 CO 0.00 -0.14 -0.13 0.95 -0.54 0.00 0.00 175.26 175.40 2cm8 s THR 168 N -1.53 1.17 0.02 -1.70 -4.23 -1.26 -0.83 115.64 107.28 2cm8 s THR 168 Ca 0.56 -1.63 -0.05 0.00 -1.18 0.00 0.00 61.69 59.40 2cm8 s THR 168 Cb -0.25 -1.40 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 2cm8 s THR 168 CO 0.32 -0.43 0.08 -0.13 -0.54 0.00 0.00 174.62 173.92 2cm8 s ARG 169 N -2.55 0.49 -0.19 3.99 0.52 0.98 -4.97 118.95 117.23 2cm8 s ARG 169 Ca 0.06 -0.62 -0.16 0.00 -0.52 0.00 0.00 55.73 54.49 2cm8 s ARG 169 Cb -0.05 0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.57 2cm8 s ARG 169 CO 0.02 -0.11 0.38 -2.00 0.02 0.00 0.00 175.30 173.61 2cm8 s GLU 170 N -2.00 4.20 -0.12 3.54 2.12 -1.26 -0.08 118.70 125.10 2cm8 s GLU 170 Ca -0.10 0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.43 2cm8 s GLU 170 Cb -0.05 -3.51 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 2cm8 s GLU 170 CO -0.02 0.02 -0.16 0.42 -0.54 0.00 0.00 175.26 174.98 2cm8 s ILE 171 N 1.13 2.75 -0.14 -3.70 -1.09 0.38 -4.86 121.20 115.66 2cm8 s ILE 171 Ca 0.19 -0.77 -0.13 0.00 -2.23 0.00 0.00 60.65 57.71 2cm8 s ILE 171 Cb -0.14 -2.12 -0.05 0.00 -1.58 0.00 0.00 42.46 38.56 2cm8 s ILE 171 CO 0.07 0.54 0.27 -0.76 -1.23 0.00 0.00 174.94 173.83 2cm8 s LEU 172 N 0.29 4.28 -0.21 2.97 1.43 -0.23 -0.24 118.68 126.97 2cm8 s LEU 172 Ca -0.12 0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2cm8 s LEU 172 Cb -0.16 -2.33 -0.00 0.00 0.03 0.00 0.00 46.19 43.73 2cm8 s LEU 172 CO 0.06 0.17 -0.09 -2.28 0.23 0.00 0.00 176.35 174.45 2cm8 s HIS 173 N 0.11 2.91 -0.31 0.29 2.46 0.38 -1.16 115.29 119.96 2cm8 s HIS 173 Ca 0.16 -1.10 -0.03 0.00 0.47 0.00 0.00 55.06 54.56 2cm8 s HIS 173 Cb -0.13 -2.05 0.05 0.00 -0.13 0.00 0.00 32.58 30.32 2cm8 s HIS 173 CO 0.04 -0.60 0.03 -0.06 -2.47 0.00 0.00 174.74 171.68 2cm8 s PHE 174 N 1.39 3.27 -0.41 3.88 0.08 -0.12 -0.39 117.98 125.67 2cm8 s PHE 174 Ca 0.05 -1.76 -0.07 0.00 0.12 0.00 0.00 56.93 55.27 2cm8 s PHE 174 Cb -0.14 -2.17 0.09 0.00 -0.57 0.00 0.00 43.02 40.23 2cm8 s PHE 174 CO -0.05 -0.79 0.22 -1.58 -0.10 0.00 0.00 175.22 172.92 2cm8 s HIS 175 N 1.29 3.40 -0.34 0.36 2.46 0.34 -0.78 115.29 122.03 2cm8 s HIS 175 Ca -0.04 -1.82 -0.29 0.00 0.47 0.00 0.00 55.06 53.39 2cm8 s HIS 175 Cb -0.20 -2.96 0.02 0.00 -0.13 0.00 0.00 32.58 29.31 2cm8 s HIS 175 CO -0.00 -0.88 1.07 -0.47 -2.47 0.00 0.00 174.74 171.98 2cm8 s TYR 176 N 1.33 3.12 -2.08 3.88 6.14 0.07 -1.20 117.35 128.61 2cm8 s TYR 176 Ca 0.04 1.12 0.22 0.00 0.64 0.00 0.00 57.07 59.09 2cm8 s TYR 176 Cb -0.23 -3.74 0.01 0.00 0.42 0.00 0.00 41.96 38.42 2cm8 s TYR 176 CO -0.00 -0.81 1.08 0.25 0.64 0.00 0.00 175.55 176.71 2cm8 n THR 177 N 5.95 0.00 -1.83 4.34 -2.24 0.66 -3.88 114.28 117.27 2cm8 n THR 177 Ca 0.12 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 2cm8 n THR 177 Cb 0.47 1.28 0.10 0.00 -2.10 0.00 0.00 70.33 70.07 2cm8 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cm8 n THR 178 N 0.10 2.46 -3.86 4.28 -2.24 -1.20 -4.85 114.28 108.97 2cm8 n THR 178 Ca 0.09 -3.78 -0.35 0.00 -2.27 0.00 0.00 64.05 57.74 2cm8 n THR 178 Cb 0.47 -0.79 -0.13 0.00 -2.10 0.00 0.00 70.33 67.78 2cm8 n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2cm8 s TRP 179 N -3.47 3.47 0.37 4.78 -0.11 -1.26 -4.56 118.94 118.17 2cm8 s TRP 179 Ca 0.47 -2.26 -0.27 0.00 1.22 0.00 0.00 56.10 55.25 2cm8 s TRP 179 Cb 0.40 -2.71 -0.10 0.00 -1.50 0.00 0.00 33.47 29.56 2cm8 s TRP 179 CO -0.00 -0.90 1.33 -2.14 -4.62 0.00 0.00 176.95 170.62 2cm8 s PRO 180 N 1.16 4.13 0.27 5.86 0.02 -1.26 -4.73 135.00 140.45 2cm8 s PRO 180 Ca 0.03 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 62.98 2cm8 s PRO 180 Cb -0.21 -2.90 -0.12 0.00 0.02 0.00 0.00 34.50 31.28 2cm8 s PRO 180 CO -0.03 -0.39 1.50 -0.40 -0.33 0.00 0.00 177.00 177.35 2cm8 n ASP 181 N 0.42 3.35 -0.96 2.53 5.75 -1.26 -0.06 116.55 126.33 2cm8 n ASP 181 Ca 0.02 1.15 -0.12 0.00 -0.01 0.00 0.00 54.79 55.82 2cm8 n ASP 181 Cb 0.42 -1.52 -0.05 0.00 -1.03 0.00 0.00 41.12 38.94 2cm8 n ASP 181 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2cm8 n PHE 182 N 1.95 0.00 -3.49 2.11 3.72 -1.26 -4.94 117.46 115.55 2cm8 n PHE 182 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2cm8 n PHE 182 Cb 0.35 -2.86 0.00 0.00 -0.94 0.00 0.00 39.48 36.03 2cm8 n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cm8 n GLY 183 N 0.09 4.13 3.34 1.37 0.00 0.92 -4.93 105.19 110.11 2cm8 n GLY 183 Ca -0.12 -2.15 -0.18 0.00 0.00 0.00 0.00 46.02 43.56 2cm8 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cm8 s VAL 184 N -0.05 1.46 1.00 1.61 -7.23 -1.26 -4.82 120.40 111.12 2cm8 s VAL 184 Ca 0.00 -2.13 -0.12 0.00 -1.81 0.00 0.00 61.98 57.92 2cm8 s VAL 184 Cb 0.00 -2.15 0.19 0.00 0.56 0.00 0.00 36.38 34.98 2cm8 s VAL 184 CO 0.00 -0.51 1.08 -2.84 -0.31 0.00 0.00 175.10 172.52 2cm8 s PRO 185 N -3.73 0.40 0.29 4.82 0.02 -1.26 -4.50 135.00 131.04 2cm8 s PRO 185 Ca 0.24 0.79 -0.03 0.00 0.02 0.00 0.00 61.00 62.02 2cm8 s PRO 185 Cb 0.02 -1.71 0.40 0.00 0.02 0.00 0.00 34.50 33.23 2cm8 s PRO 185 CO 0.07 -2.82 1.95 1.49 -0.33 0.00 0.00 177.00 177.36 2cm8 h GLU 186 N -1.97 1.14 -2.76 5.54 4.81 -1.99 -3.45 114.58 115.91 2cm8 h GLU 186 Ca -0.54 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 58.66 2cm8 h GLU 186 Cb 1.31 -0.26 -0.12 0.00 0.63 0.00 0.00 28.75 30.31 2cm8 h GLU 186 CO 0.53 0.76 0.31 -1.54 -0.73 0.00 0.00 179.01 178.34 2cm8 s SER 187 N -6.20 -0.47 0.29 1.04 1.04 -1.26 -5.01 113.70 103.13 2cm8 s SER 187 Ca -0.12 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.25 2cm8 s SER 187 Cb 0.18 0.54 0.53 0.00 0.10 0.00 0.00 66.02 67.37 2cm8 s SER 187 CO 0.80 -0.89 1.89 -0.65 0.98 0.00 0.00 173.24 175.36 2cm8 h PRO 188 N 2.00 1.00 -0.21 4.02 0.11 -1.93 -2.77 132.00 134.22 2cm8 h PRO 188 Ca -0.29 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.82 2cm8 h PRO 188 Cb 1.28 -0.23 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 2cm8 h PRO 188 CO 0.34 0.66 -0.28 0.00 -0.21 0.00 0.00 178.00 178.52 2cm8 h ALA 189 N 1.51 -0.23 -0.52 -0.75 0.00 -1.95 0.16 119.26 117.48 2cm8 h ALA 189 Ca 0.43 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.40 2cm8 h ALA 189 Cb 0.29 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2cm8 h ALA 189 CO -0.18 -0.73 0.34 0.77 0.00 0.00 0.00 179.25 179.45 2cm8 h SER 190 N -0.31 0.58 -0.10 0.00 0.02 -1.76 0.73 113.55 112.71 2cm8 h SER 190 Ca 0.12 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2cm8 h SER 190 Cb 0.50 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 2cm8 h SER 190 CO -0.38 0.42 0.05 0.15 -1.14 0.00 0.00 176.83 175.93 2cm8 h PHE 191 N 0.69 0.14 -0.67 3.45 3.57 -1.20 -2.28 116.94 120.64 2cm8 h PHE 191 Ca 0.19 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 2cm8 h PHE 191 Cb -0.07 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2cm8 h PHE 191 CO -0.04 0.19 0.13 -0.07 -2.23 0.00 0.00 178.31 176.29 2cm8 h LEU 192 N 0.05 1.03 -0.82 0.59 3.38 -0.49 -0.05 115.31 119.01 2cm8 h LEU 192 Ca 0.03 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2cm8 h LEU 192 Cb 0.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2cm8 h LEU 192 CO -0.00 1.01 0.54 -1.13 0.09 0.00 0.00 178.44 178.94 2cm8 h ASN 193 N 1.02 0.92 -0.15 -0.43 -1.24 -0.76 -0.43 115.58 114.51 2cm8 h ASN 193 Ca 0.21 -0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.15 2cm8 h ASN 193 Cb 0.40 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.22 2cm8 h ASN 193 CO 0.01 0.66 -0.09 0.15 -1.29 0.00 0.00 177.43 176.87 2cm8 h PHE 194 N 1.09 0.39 -0.58 0.67 3.57 -1.00 -1.72 116.94 119.35 2cm8 h PHE 194 Ca 0.31 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.73 2cm8 h PHE 194 Cb -0.09 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 2cm8 h PHE 194 CO -0.02 0.67 0.35 1.25 -2.23 0.00 0.00 178.31 178.34 2cm8 h LEU 195 N -0.01 0.58 -1.57 0.59 5.85 -0.76 -1.35 115.31 118.64 2cm8 h LEU 195 Ca 0.03 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2cm8 h LEU 195 Cb 0.58 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2cm8 h LEU 195 CO 0.03 0.41 -0.19 -0.26 -0.34 0.00 0.00 178.44 178.08 2cm8 h PHE 196 N 0.70 0.00 -0.29 1.25 -1.00 -1.05 0.10 116.94 116.66 2cm8 h PHE 196 Ca 0.23 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.95 2cm8 h PHE 196 Cb 0.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 2cm8 h PHE 196 CO -0.06 0.19 -0.06 0.87 -1.61 0.00 0.00 178.31 177.64 2cm8 h LYS 197 N 0.00 0.55 -0.06 1.51 1.79 -0.33 -0.73 116.57 119.30 2cm8 h LYS 197 Ca -0.00 -0.21 -0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2cm8 h LYS 197 Cb 0.51 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2cm8 h LYS 197 CO 0.02 0.74 0.03 0.28 -1.08 0.00 0.00 179.45 179.45 2cm8 h VAL 198 N 0.31 1.09 -0.23 0.50 2.07 -0.61 -2.89 116.25 116.49 2cm8 h VAL 198 Ca 0.07 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.39 2cm8 h VAL 198 Cb 0.54 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 2cm8 h VAL 198 CO 0.03 0.07 -0.07 0.03 0.02 0.00 0.00 177.57 177.65 2cm8 h ARG 199 N -0.01 -0.02 0.00 1.57 3.08 -0.91 -2.21 114.38 115.88 2cm8 h ARG 199 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2cm8 h ARG 199 Cb 0.09 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2cm8 h ARG 199 CO -0.00 -0.02 -0.00 0.93 -1.07 0.00 0.00 179.97 179.81 2cm8 h GLU 200 N -0.03 0.00 0.00 0.04 5.08 -1.05 -1.92 114.58 116.71 2cm8 h GLU 200 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2cm8 h GLU 200 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2cm8 h GLU 200 CO -0.25 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.63 2cm8 n SER 201 N -3.17 0.12 0.00 1.42 3.41 -0.83 -4.90 113.62 109.66 2cm8 n SER 201 Ca -0.03 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 2cm8 n SER 201 Cb 0.08 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 2cm8 n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cm8 n GLY 202 N 1.11 1.61 0.30 5.00 0.00 -0.72 -4.92 105.19 107.57 2cm8 n GLY 202 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.24 2cm8 n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cm8 h SER 203 N 0.00 0.00 -0.27 1.61 0.02 -1.78 -2.16 113.55 110.97 2cm8 h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2cm8 h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2cm8 h SER 203 CO 0.00 0.01 0.00 0.18 -1.14 0.00 0.00 176.83 175.88 2cm8 n LEU 204 N -3.73 3.29 -4.79 5.07 4.77 -1.26 -4.22 117.00 116.12 2cm8 n LEU 204 Ca -0.03 -1.32 -0.35 0.00 -0.03 0.00 0.00 56.01 54.28 2cm8 n LEU 204 Cb 0.09 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 2cm8 n LEU 204 CO 0.26 0.66 0.70 -0.44 -1.33 0.00 0.00 177.39 177.25 2cm8 s SER 205 N -1.66 6.70 0.50 -1.43 0.01 -0.82 -4.92 113.70 112.09 2cm8 s SER 205 Ca 0.35 1.91 0.34 0.00 1.31 0.00 0.00 55.95 59.87 2cm8 s SER 205 Cb 0.22 -2.57 1.73 0.00 0.21 0.00 0.00 66.02 65.61 2cm8 s SER 205 CO 0.31 -0.53 2.03 1.55 0.41 0.00 0.00 173.24 177.01 2cm8 h PRO 206 N 2.11 0.00 0.00 12.44 0.13 -1.92 -2.10 132.00 142.66 2cm8 h PRO 206 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2cm8 h PRO 206 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2cm8 h PRO 206 CO 0.61 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.31 2cm8 h GLU 207 N 0.00 0.00 -6.13 0.86 3.07 -1.93 -3.44 114.58 107.01 2cm8 h GLU 207 Ca 0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 2cm8 h GLU 207 Cb 0.13 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.99 2cm8 h GLU 207 CO 0.00 0.00 -0.45 -1.01 -1.40 0.00 0.00 179.01 176.15 2cm8 s HIS 208 N -3.49 2.77 1.12 4.33 3.76 -0.79 -5.13 115.29 117.86 2cm8 s HIS 208 Ca 0.03 -0.41 -0.17 0.00 -0.15 0.00 0.00 55.06 54.37 2cm8 s HIS 208 Cb 0.09 -1.89 0.25 0.00 1.11 0.00 0.00 32.58 32.14 2cm8 s HIS 208 CO 0.49 0.13 1.12 0.20 -0.85 0.00 0.00 174.74 175.82 2cm8 s GLY 209 N -3.99 1.58 0.40 -2.22 0.00 0.56 -4.91 107.32 98.74 2cm8 s GLY 209 Ca 0.42 -0.76 -0.27 0.00 0.00 0.00 0.00 44.72 44.11 2cm8 s GLY 209 CO 0.26 0.02 1.44 -4.14 0.00 0.00 0.00 173.10 170.68 2cm8 s PRO 210 N -5.28 3.98 0.42 2.90 0.02 -1.26 -4.44 135.00 131.34 2cm8 s PRO 210 Ca 0.69 2.47 -0.25 0.00 0.02 0.00 0.00 61.00 63.93 2cm8 s PRO 210 Cb -0.13 -2.86 -0.08 0.00 0.02 0.00 0.00 34.50 31.45 2cm8 s PRO 210 CO 0.56 -0.60 1.26 0.54 -0.33 0.00 0.00 177.00 178.43 2cm8 s VAL 211 N -1.16 2.78 -0.25 3.83 0.11 -1.26 -4.43 120.40 120.03 2cm8 s VAL 211 Ca 0.55 0.67 -0.14 0.00 -2.93 0.00 0.00 61.98 60.13 2cm8 s VAL 211 Cb -0.45 -3.38 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 2cm8 s VAL 211 CO 0.59 0.07 0.33 -0.69 -3.33 0.00 0.00 175.10 172.08 2cm8 s VAL 212 N -1.33 5.22 -0.10 2.04 1.01 -0.47 -0.97 120.40 125.80 2cm8 s VAL 212 Ca 0.59 0.52 0.03 0.00 0.00 0.00 0.00 61.98 63.11 2cm8 s VAL 212 Cb -0.35 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2cm8 s VAL 212 CO 0.44 0.22 -0.19 -0.69 0.00 0.00 0.00 175.10 174.88 2cm8 s VAL 213 N 1.68 2.50 0.05 2.92 1.01 0.70 0.45 120.40 129.72 2cm8 s VAL 213 Ca 0.14 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 2cm8 s VAL 213 Cb -0.15 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.26 2cm8 s VAL 213 CO 0.09 0.55 0.31 -1.38 0.00 0.00 0.00 175.10 174.66 2cm8 s HIS 214 N 0.15 -0.10 0.00 5.22 -3.43 -0.13 -1.64 115.29 115.35 2cm8 s HIS 214 Ca -0.10 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.10 2cm8 s HIS 214 Cb -0.16 0.10 0.00 0.00 -1.43 0.00 0.00 32.58 31.09 2cm8 s HIS 214 CO 0.06 -0.52 0.00 0.00 -2.00 0.00 0.00 174.74 172.28 2cm8 h SER 216 N 0.00 0.01 0.73 0.00 0.87 -1.90 -2.42 113.55 110.84 2cm8 h SER 216 Ca 0.00 -0.69 -0.01 0.00 -1.23 0.00 0.00 61.79 59.87 2cm8 h SER 216 Cb 0.00 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2cm8 h SER 216 CO 0.00 1.32 -1.27 0.00 -0.53 0.00 0.00 176.83 176.35 2cm8 n ALA 217 N -3.12 2.58 -2.14 6.23 0.00 -1.26 -1.58 120.51 121.22 2cm8 n ALA 217 Ca -0.24 -0.32 -0.04 0.00 0.00 0.00 0.00 53.44 52.84 2cm8 n ALA 217 Cb 0.61 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.05 2cm8 n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cm8 n GLY 218 N 1.21 0.22 0.00 0.00 0.00 -1.24 -4.18 105.19 101.20 2cm8 n GLY 218 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2cm8 n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2cm8 n ILE 219 N -3.93 0.00 0.00 -0.61 -5.35 -1.26 -4.49 119.36 103.72 2cm8 n ILE 219 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2cm8 n ILE 219 Cb 0.54 -0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 2cm8 n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cm8 n GLY 220 N 1.45 -0.16 0.30 3.28 0.00 -1.26 -0.90 105.19 107.90 2cm8 n GLY 220 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2cm8 n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2cm8 h ARG 221 N 0.00 1.07 -0.57 1.61 3.08 -1.95 -1.44 114.38 116.17 2cm8 h ARG 221 Ca 0.00 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2cm8 h ARG 221 Cb 0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 2cm8 h ARG 221 CO 0.00 1.05 0.36 0.77 -1.07 0.00 0.00 179.97 181.09 2cm8 h SER 222 N 0.97 0.67 -0.46 7.04 0.02 -1.88 -0.92 113.55 118.99 2cm8 h SER 222 Ca 0.17 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2cm8 h SER 222 Cb 0.58 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2cm8 h SER 222 CO 0.03 0.51 0.27 1.23 -1.14 0.00 0.00 176.83 177.73 2cm8 h GLY 223 N 0.78 0.68 0.89 -3.77 0.00 -1.14 -1.52 103.07 98.98 2cm8 h GLY 223 Ca 0.21 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.27 2cm8 h GLY 223 CO -0.04 0.28 0.28 -0.84 0.00 0.00 0.00 176.54 176.22 2cm8 h THR 224 N 0.61 1.05 0.03 4.70 2.02 -0.92 0.79 112.91 121.19 2cm8 h THR 224 Ca 0.16 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2cm8 h THR 224 Cb 0.02 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2cm8 h THR 224 CO -0.03 0.10 -0.04 0.15 0.37 0.00 0.00 175.52 176.07 2cm8 h PHE 225 N 0.57 -0.11 -0.42 3.16 3.57 -0.94 -2.32 116.94 120.45 2cm8 h PHE 225 Ca 0.19 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.56 2cm8 h PHE 225 Cb 0.01 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2cm8 h PHE 225 CO -0.07 -0.07 -0.27 0.00 -2.23 0.00 0.00 178.31 175.67 2cm8 h LEU 227 N 0.75 -0.12 -0.41 0.00 5.85 -0.80 -0.77 115.31 119.80 2cm8 h LEU 227 Ca 0.08 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2cm8 h LEU 227 Cb 0.85 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 2cm8 h LEU 227 CO 0.07 -0.04 0.18 0.00 -0.34 0.00 0.00 178.44 178.31 2cm8 h ALA 228 N 1.10 0.50 -0.09 1.25 0.00 -1.38 -1.16 119.26 119.48 2cm8 h ALA 228 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2cm8 h ALA 228 Cb 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2cm8 h ALA 228 CO -0.12 -0.20 0.06 0.22 0.00 0.00 0.00 179.25 179.21 2cm8 h ASP 229 N 0.37 0.12 -0.39 0.00 3.58 -1.10 -1.96 116.42 117.03 2cm8 h ASP 229 Ca 0.18 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 2cm8 h ASP 229 Cb 0.13 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 2cm8 h ASP 229 CO -0.16 0.14 0.20 0.74 -2.88 0.00 0.00 179.24 177.28 2cm8 h THR 230 N 0.08 1.16 -0.84 2.25 2.02 -0.99 -1.13 112.91 115.46 2cm8 h THR 230 Ca 0.03 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.81 2cm8 h THR 230 Cb 0.05 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 2cm8 h THR 230 CO -0.01 0.17 0.54 0.00 0.37 0.00 0.00 175.52 176.59 2cm8 h LEU 232 N 1.07 0.90 -0.58 0.00 3.38 -1.14 -2.34 115.31 116.61 2cm8 h LEU 232 Ca 0.33 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2cm8 h LEU 232 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2cm8 h LEU 232 CO -0.11 1.06 -0.04 0.25 0.09 0.00 0.00 178.44 179.70 2cm8 h LEU 233 N 0.78 1.03 -0.29 1.67 5.85 -0.75 -2.03 115.31 121.58 2cm8 h LEU 233 Ca 0.11 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2cm8 h LEU 233 Cb 0.71 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2cm8 h LEU 233 CO 0.05 1.11 0.17 -0.07 -0.34 0.00 0.00 178.44 179.36 2cm8 h LEU 234 N 0.93 0.35 -0.86 2.25 3.38 -0.86 -0.84 115.31 119.67 2cm8 h LEU 234 Ca 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2cm8 h LEU 234 Cb 0.60 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2cm8 h LEU 234 CO 0.04 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.87 2cm8 h MET 235 N 0.37 0.00 -0.11 1.13 -0.00 -1.36 -2.63 114.93 112.32 2cm8 h MET 235 Ca 0.10 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.57 2cm8 h MET 235 Cb 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.63 2cm8 h MET 235 CO -0.02 0.00 -0.86 0.22 -0.00 0.00 0.00 176.91 176.25 2cm8 h ASP 236 N 0.00 0.94 -0.99 -0.10 3.58 -0.59 0.32 116.42 119.58 2cm8 h ASP 236 Ca 0.00 -0.66 0.15 0.00 0.42 0.00 0.00 57.03 56.94 2cm8 h ASP 236 Cb 0.53 -0.28 -0.09 0.00 1.72 0.00 0.00 39.33 41.21 2cm8 h ASP 236 CO 0.00 1.46 0.62 0.11 -2.88 0.00 0.00 179.24 178.55 2cm8 h LYS 237 N 0.50 0.84 0.00 0.28 1.57 -0.79 -3.07 116.57 115.90 2cm8 h LYS 237 Ca -0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2cm8 h LYS 237 Cb 1.50 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2cm8 h LYS 237 CO 0.17 0.56 -0.11 0.54 -0.57 0.00 0.00 179.45 180.05 2cm8 n ARG 238 N -4.65 1.25 -4.19 3.15 1.74 -1.24 -5.00 116.66 107.73 2cm8 n ARG 238 Ca 0.20 -1.54 -0.35 0.00 -0.77 0.00 0.00 57.85 55.40 2cm8 n ARG 238 Cb 0.45 -0.95 -0.03 0.00 -1.02 0.00 0.00 32.46 30.91 2cm8 n ARG 238 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2cm8 n LYS 239 N -0.59 -3.17 -3.65 5.56 4.76 0.11 -4.91 118.16 116.27 2cm8 n LYS 239 Ca 0.05 0.37 -0.27 0.00 -2.87 0.00 0.00 58.31 55.59 2cm8 n LYS 239 Cb 0.52 -5.00 -0.11 0.00 -1.84 0.00 0.00 35.03 28.60 2cm8 n LYS 239 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2cm8 n ASP 240 N -2.71 1.54 0.04 4.39 -0.08 -0.93 -4.96 116.55 113.85 2cm8 n ASP 240 Ca 0.02 -2.87 0.20 0.00 -1.51 0.00 0.00 54.79 50.63 2cm8 n ASP 240 Cb 0.52 -0.67 0.72 0.00 2.34 0.00 0.00 41.12 44.04 2cm8 n ASP 240 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2cm8 h PRO 241 N 5.37 0.00 0.00 -0.67 0.13 -1.91 -1.12 132.00 133.80 2cm8 h PRO 241 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2cm8 h PRO 241 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2cm8 h PRO 241 CO 0.57 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.00 2cm8 h SER 242 N 0.00 0.00 1.79 1.44 4.64 -1.98 -2.89 113.55 116.56 2cm8 h SER 242 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2cm8 h SER 242 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2cm8 h SER 242 CO -0.00 0.00 -0.00 0.77 -0.87 0.00 0.00 176.83 176.73 2cm8 h SER 243 N 0.00 0.00 -3.20 4.97 4.64 -1.63 -3.43 113.55 114.91 2cm8 h SER 243 Ca 0.00 -0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 2cm8 h SER 243 Cb 0.53 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.55 2cm8 h SER 243 CO 0.00 0.00 0.61 -0.69 -0.87 0.00 0.00 176.83 175.88 2cm8 s VAL 244 N -3.17 4.77 -0.48 0.95 1.01 -1.09 -5.00 120.40 117.38 2cm8 s VAL 244 Ca 0.08 1.77 -0.12 0.00 0.00 0.00 0.00 61.98 63.72 2cm8 s VAL 244 Cb 0.08 -4.20 0.11 0.00 0.00 0.00 0.00 36.38 32.36 2cm8 s VAL 244 CO 0.64 -0.11 0.38 -0.62 0.00 0.00 0.00 175.10 175.39 2cm8 s ASP 245 N 1.27 5.90 0.20 3.32 -1.08 -1.26 -4.59 116.67 120.43 2cm8 s ASP 245 Ca 0.39 -1.71 -0.10 0.00 -0.52 0.00 0.00 52.55 50.60 2cm8 s ASP 245 Cb -0.15 -2.09 0.21 0.00 -1.46 0.00 0.00 42.92 39.43 2cm8 s ASP 245 CO 0.07 -0.71 1.80 0.40 0.52 0.00 0.00 175.17 177.26 2cm8 h ILE 246 N 6.00 0.97 -0.81 4.11 2.04 -1.98 -1.05 117.51 126.78 2cm8 h ILE 246 Ca -0.25 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 2cm8 h ILE 246 Cb 1.09 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 2cm8 h ILE 246 CO 0.90 0.12 0.35 0.11 0.00 0.00 0.00 178.15 179.62 2cm8 h LYS 247 N 0.63 1.19 -0.61 2.37 1.57 -1.99 -0.95 116.57 118.79 2cm8 h LYS 247 Ca 0.28 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2cm8 h LYS 247 Cb 0.17 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2cm8 h LYS 247 CO -0.17 0.95 0.24 -0.22 -0.57 0.00 0.00 179.45 179.67 2cm8 h LYS 248 N 1.17 0.92 -0.46 3.15 1.63 -1.86 -1.10 116.57 120.02 2cm8 h LYS 248 Ca 0.27 -0.17 -0.06 0.00 -0.85 0.00 0.00 60.65 59.85 2cm8 h LYS 248 Cb 0.18 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 2cm8 h LYS 248 CO -0.03 0.79 0.07 0.28 -3.45 0.00 0.00 179.45 177.11 2cm8 h VAL 249 N 0.86 1.25 -0.68 2.00 2.07 -0.83 -1.68 116.25 119.23 2cm8 h VAL 249 Ca 0.20 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2cm8 h VAL 249 Cb 0.21 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2cm8 h VAL 249 CO -0.02 0.32 0.39 0.25 0.02 0.00 0.00 177.57 178.54 2cm8 h LEU 250 N 0.63 0.83 -1.00 2.57 5.85 -0.99 -1.14 115.31 122.05 2cm8 h LEU 250 Ca 0.14 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2cm8 h LEU 250 Cb 0.40 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2cm8 h LEU 250 CO 0.01 0.66 0.32 -0.07 -0.34 0.00 0.00 178.44 179.03 2cm8 h LEU 251 N 0.92 0.94 -0.42 2.25 3.38 -1.04 -0.33 115.31 121.01 2cm8 h LEU 251 Ca 0.24 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2cm8 h LEU 251 Cb 0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2cm8 h LEU 251 CO -0.04 0.81 0.17 -0.08 0.09 0.00 0.00 178.44 179.39 2cm8 h GLU 252 N 1.03 0.63 -0.77 1.13 4.57 -0.73 -2.80 114.58 117.63 2cm8 h GLU 252 Ca 0.25 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2cm8 h GLU 252 Cb 0.14 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 2cm8 h GLU 252 CO -0.03 0.58 0.37 0.52 -1.18 0.00 0.00 179.01 179.27 2cm8 h MET 253 N 0.54 1.10 0.00 1.92 2.86 -0.70 -2.09 114.93 118.56 2cm8 h MET 253 Ca 0.14 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2cm8 h MET 253 Cb 0.18 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2cm8 h MET 253 CO -0.01 0.84 0.00 0.54 1.06 0.00 0.00 176.91 179.34 2cm8 n ARG 254 N -4.32 0.19 0.21 1.72 1.74 -0.18 -1.01 116.66 115.00 2cm8 n ARG 254 Ca 0.08 0.14 0.13 0.00 -0.77 0.00 0.00 57.85 57.43 2cm8 n ARG 254 Cb 0.13 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.36 2cm8 n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2cm8 h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.32 -3.33 116.57 119.05 2cm8 h LYS 255 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2cm8 h LYS 255 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2cm8 h LYS 255 CO 0.00 0.00 -2.05 1.19 -0.57 0.00 0.00 179.45 178.02 2cm8 n PHE 256 N -2.95 0.00 -3.66 -1.35 3.72 -0.18 -4.95 117.46 108.09 2cm8 n PHE 256 Ca 0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.32 2cm8 n PHE 256 Cb 0.48 -0.64 -0.08 0.00 -0.94 0.00 0.00 39.48 38.30 2cm8 n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2cm8 s ARG 257 N -2.99 0.68 0.67 -1.08 3.52 -1.18 -4.53 118.95 114.04 2cm8 s ARG 257 Ca -0.08 0.96 -0.14 0.00 -0.13 0.00 0.00 55.73 56.34 2cm8 s ARG 257 Cb 0.10 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.73 2cm8 s ARG 257 CO 0.79 -0.11 1.10 0.00 -0.81 0.00 0.00 175.30 176.27 2cm8 s MET 258 N 0.85 2.79 -1.50 5.12 0.23 -1.26 -4.22 119.30 121.32 2cm8 s MET 258 Ca -0.04 1.33 0.00 0.00 -1.03 0.00 0.00 55.69 55.95 2cm8 s MET 258 Cb -0.05 -1.95 0.00 0.00 -1.53 0.00 0.00 34.83 31.30 2cm8 s MET 258 CO -0.07 -1.25 0.00 0.41 -2.03 0.00 0.00 175.02 172.08 2cm8 n GLY 259 N -0.69 1.39 3.66 3.16 0.00 -1.26 -4.87 105.19 106.58 2cm8 n GLY 259 Ca 0.10 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2cm8 n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cm8 s LEU 260 N -3.21 4.40 0.00 0.99 1.43 -1.26 -3.95 118.68 117.09 2cm8 s LEU 260 Ca 0.00 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 2cm8 s LEU 260 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2cm8 s LEU 260 CO 0.00 -1.09 0.00 -0.38 0.23 0.00 0.00 176.35 175.11 2cm8 n ILE 261 N 5.64 -1.76 0.97 -0.59 2.08 -0.07 -4.96 119.36 120.67 2cm8 n ILE 261 Ca 0.20 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.62 2cm8 n ILE 261 Cb 0.41 -2.62 0.00 0.00 -0.75 0.00 0.00 39.64 36.69 2cm8 n ILE 261 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2cm8 n GLN 262 N 0.36 0.02 -3.94 0.38 1.13 -1.25 -4.91 117.38 109.17 2cm8 n GLN 262 Ca 0.00 -0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.97 2cm8 n GLN 262 Cb 0.00 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 28.76 2cm8 n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2cm8 s THR 263 N -3.02 0.16 0.39 5.09 -4.23 -1.26 -5.03 115.64 107.74 2cm8 s THR 263 Ca 0.09 -1.33 0.06 0.00 -1.18 0.00 0.00 61.69 59.32 2cm8 s THR 263 Cb 0.16 -1.27 0.25 0.00 1.34 0.00 0.00 72.50 72.99 2cm8 s THR 263 CO 0.81 -0.73 2.03 0.00 -0.54 0.00 0.00 174.62 176.19 2cm8 h ALA 264 N 3.10 1.63 0.00 3.99 0.00 -1.93 -1.96 119.26 124.09 2cm8 h ALA 264 Ca -0.34 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 2cm8 h ALA 264 Cb 1.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2cm8 h ALA 264 CO 0.57 0.32 -0.48 0.22 0.00 0.00 0.00 179.25 179.89 2cm8 h ASP 265 N 0.62 0.00 -0.06 0.00 3.58 -1.96 -0.59 116.42 118.01 2cm8 h ASP 265 Ca 0.16 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.48 2cm8 h ASP 265 Cb -0.02 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 2cm8 h ASP 265 CO -0.03 0.48 -0.41 1.56 -2.88 0.00 0.00 179.24 177.96 2cm8 h GLN 266 N 0.00 0.59 0.03 0.28 4.20 -1.69 0.12 115.11 118.64 2cm8 h GLN 266 Ca -0.00 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 2cm8 h GLN 266 Cb 1.01 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2cm8 h GLN 266 CO 0.06 0.90 -0.02 1.25 -0.67 0.00 0.00 178.83 180.35 2cm8 h LEU 267 N 0.48 -0.04 -0.72 1.46 5.85 -1.15 0.45 115.31 121.64 2cm8 h LEU 267 Ca 0.04 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.60 2cm8 h LEU 267 Cb 0.92 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 2cm8 h LEU 267 CO 0.08 0.19 0.42 -0.09 -0.34 0.00 0.00 178.44 178.70 2cm8 h ARG 268 N -0.26 0.77 -0.62 1.25 2.43 -0.99 -0.60 114.38 116.35 2cm8 h ARG 268 Ca -0.00 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2cm8 h ARG 268 Cb 0.24 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2cm8 h ARG 268 CO 0.01 0.51 0.23 0.35 -1.51 0.00 0.00 179.97 179.56 2cm8 h PHE 269 N 0.80 0.94 -0.78 2.20 3.57 -0.56 -2.13 116.94 120.97 2cm8 h PHE 269 Ca 0.31 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.79 2cm8 h PHE 269 Cb 0.13 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.53 2cm8 h PHE 269 CO -0.06 0.73 0.48 0.77 -2.23 0.00 0.00 178.31 178.01 2cm8 h SER 270 N 0.90 0.77 -0.18 0.41 0.02 0.62 -0.37 113.55 115.72 2cm8 h SER 270 Ca 0.21 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2cm8 h SER 270 Cb 0.21 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2cm8 h SER 270 CO -0.02 0.51 0.10 1.88 -1.14 0.00 0.00 176.83 178.17 2cm8 h TYR 271 N 0.91 0.25 -0.75 3.45 -1.99 -0.86 -2.10 116.97 115.88 2cm8 h TYR 271 Ca 0.33 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 61.12 2cm8 h TYR 271 Cb 0.10 -0.08 -0.06 0.00 2.00 0.00 0.00 36.73 38.68 2cm8 h TYR 271 CO -0.04 0.24 0.43 -0.07 -0.00 0.00 0.00 178.16 178.72 2cm8 h LEU 272 N 0.19 0.63 -0.32 3.88 3.38 -0.74 -0.45 115.31 121.89 2cm8 h LEU 272 Ca 0.06 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2cm8 h LEU 272 Cb 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2cm8 h LEU 272 CO -0.01 0.39 0.04 0.00 0.09 0.00 0.00 178.44 178.95 2cm8 h ALA 273 N 1.40 0.43 -0.23 1.53 0.00 -0.94 -1.04 119.26 120.41 2cm8 h ALA 273 Ca 0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2cm8 h ALA 273 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2cm8 h ALA 273 CO -0.21 0.14 0.04 0.28 0.00 0.00 0.00 179.25 179.51 2cm8 h VAL 274 N 0.36 1.22 -0.51 0.00 2.07 -1.07 0.29 116.25 118.61 2cm8 h VAL 274 Ca 0.10 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2cm8 h VAL 274 Cb 0.38 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2cm8 h VAL 274 CO 0.01 0.23 0.29 0.40 0.02 0.00 0.00 177.57 178.52 2cm8 h ILE 275 N 0.19 1.16 -0.37 4.57 2.04 -1.06 0.13 117.51 124.19 2cm8 h ILE 275 Ca 0.07 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 2cm8 h ILE 275 Cb 0.31 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2cm8 h ILE 275 CO 0.00 0.17 -0.21 -0.08 0.00 0.00 0.00 178.15 178.04 2cm8 h GLU 276 N 0.68 0.79 -0.09 2.37 4.57 -1.10 -2.96 114.58 118.83 2cm8 h GLU 276 Ca 0.18 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 2cm8 h GLU 276 Cb 0.02 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2cm8 h GLU 276 CO -0.03 0.98 -0.01 0.78 -1.18 0.00 0.00 179.01 179.55 2cm8 h GLY 277 N 0.58 0.13 0.89 1.92 0.00 -0.02 -2.49 103.07 104.09 2cm8 h GLY 277 Ca 0.08 -0.06 0.15 0.00 0.00 0.00 0.00 47.33 47.50 2cm8 h GLY 277 CO 0.06 0.06 0.41 0.00 0.00 0.00 0.00 176.54 177.06 2cm8 h ALA 278 N 1.87 2.39 -0.75 3.60 0.00 -0.56 -1.37 119.26 124.44 2cm8 h ALA 278 Ca 0.03 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2cm8 h ALA 278 Cb 0.10 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2cm8 h ALA 278 CO 0.00 -0.56 0.45 0.87 0.00 0.00 0.00 179.25 180.02 2cm8 h LYS 279 N 0.11 0.83 0.11 0.00 1.57 -1.56 -0.02 116.57 117.61 2cm8 h LYS 279 Ca 0.28 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2cm8 h LYS 279 Cb 0.95 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2cm8 h LYS 279 CO -0.03 0.55 -0.05 0.35 -0.57 0.00 0.00 179.45 179.70 2cm8 h PHE 280 N 0.85 -0.13 -0.88 -1.35 3.04 -1.41 -1.76 116.94 115.30 2cm8 h PHE 280 Ca 0.32 -0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.41 2cm8 h PHE 280 Cb 0.12 0.04 -0.09 0.00 2.56 0.00 0.00 35.95 38.58 2cm8 h PHE 280 CO -0.05 0.11 0.48 0.82 -2.02 0.00 0.00 178.31 177.65 2cm8 h ILE 281 N -0.36 0.78 -0.02 1.41 1.08 -1.29 -1.90 117.51 117.21 2cm8 h ILE 281 Ca -0.01 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2cm8 h ILE 281 Cb 0.30 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.06 2cm8 h ILE 281 CO 0.02 0.13 0.00 0.23 -0.69 0.00 0.00 178.15 177.84 2cm8 n MET 282 N -4.81 1.08 0.00 2.37 2.81 -0.05 -4.86 117.12 113.65 2cm8 n MET 282 Ca 0.17 -0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2cm8 n MET 282 Cb 0.41 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 2cm8 n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2cm8 n GLY 283 N 0.34 0.82 3.37 3.03 0.00 -0.71 -5.03 105.19 107.02 2cm8 n GLY 283 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 2cm8 n GLY 283 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cm8 n ASP 284 N 0.00 5.30 -0.23 1.61 2.03 -0.67 -4.83 116.55 119.75 2cm8 n ASP 284 Ca 0.00 -3.01 0.02 0.00 0.52 0.00 0.00 54.79 52.32 2cm8 n ASP 284 Cb 0.00 -1.52 0.26 0.00 -0.72 0.00 0.00 41.12 39.14 2cm8 n ASP 284 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2cm8 h SER 285 N 6.87 0.84 -0.05 1.67 0.02 -1.83 -2.73 113.55 118.33 2cm8 h SER 285 Ca 0.30 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.25 2cm8 h SER 285 Cb 0.84 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 2cm8 h SER 285 CO 1.24 0.58 0.15 0.77 -1.14 0.00 0.00 176.83 178.43 2cm8 h SER 286 N 0.98 0.00 0.03 3.07 4.64 -1.97 -2.38 113.55 117.91 2cm8 h SER 286 Ca 0.31 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2cm8 h SER 286 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2cm8 h SER 286 CO -0.09 0.00 -0.01 1.62 -0.87 0.00 0.00 176.83 177.48 2cm8 h VAL 287 N 0.00 0.67 -0.63 0.95 3.04 -1.87 -2.19 116.25 116.21 2cm8 h VAL 287 Ca 0.02 -0.05 -0.03 0.00 -1.01 0.00 0.00 66.70 65.63 2cm8 h VAL 287 Cb 0.31 1.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.60 2cm8 h VAL 287 CO -0.00 0.01 0.28 -0.61 -1.01 0.00 0.00 177.57 176.24 2cm8 h GLN 288 N 0.00 0.93 -0.58 4.17 4.15 -1.65 -0.72 115.11 121.40 2cm8 h GLN 288 Ca -0.00 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 2cm8 h GLN 288 Cb 0.03 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 2cm8 h GLN 288 CO 0.00 0.76 0.24 0.22 -1.93 0.00 0.00 178.83 178.12 2cm8 h ASP 289 N 0.88 0.80 -0.80 -0.69 3.58 -1.61 -2.11 116.42 116.48 2cm8 h ASP 289 Ca 0.21 -0.17 0.04 0.00 0.42 0.00 0.00 57.03 57.54 2cm8 h ASP 289 Cb 0.16 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 40.95 2cm8 h ASP 289 CO -0.02 0.75 0.50 1.56 -2.88 0.00 0.00 179.24 179.15 2cm8 h GLN 290 N 0.81 0.93 -0.18 0.28 4.20 -1.13 -0.83 115.11 119.19 2cm8 h GLN 290 Ca 0.20 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2cm8 h GLN 290 Cb 0.19 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2cm8 h GLN 290 CO -0.02 0.62 0.09 -1.49 -0.67 0.00 0.00 178.83 177.36 2cm8 h TRP 291 N 0.96 0.25 -0.58 2.96 6.55 -0.87 -0.72 115.95 124.51 2cm8 h TRP 291 Ca 0.33 -0.01 0.09 0.00 0.95 0.00 0.00 58.89 60.25 2cm8 h TRP 291 Cb 0.06 -0.08 -0.07 0.00 -0.86 0.00 0.00 29.16 28.21 2cm8 h TRP 291 CO -0.03 0.26 0.20 -0.22 -1.05 0.00 0.00 178.44 177.60 2cm8 h LYS 292 N 0.17 0.37 0.78 0.49 3.64 -0.90 0.19 116.57 121.31 2cm8 h LYS 292 Ca 0.06 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2cm8 h LYS 292 Cb 0.10 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2cm8 h LYS 292 CO -0.01 0.24 -0.46 1.49 -2.27 0.00 0.00 179.45 178.44 2cm8 h GLU 293 N 0.38 -1.11 -0.08 1.90 4.57 -0.85 -2.96 114.58 116.43 2cm8 h GLU 293 Ca 0.29 0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.57 2cm8 h GLU 293 Cb 0.36 0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2cm8 h GLU 293 CO -0.30 -0.74 0.07 -0.07 -1.18 0.00 0.00 179.01 176.79 2cm8 h LEU 294 N -1.16 0.00 -0.97 1.64 3.38 -0.78 -1.48 115.31 115.94 2cm8 h LEU 294 Ca -0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2cm8 h LEU 294 Cb 0.92 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2cm8 h LEU 294 CO 0.12 0.00 -0.12 0.77 0.09 0.00 0.00 178.44 179.29 2cm8 h SER 295 N 0.00 0.00 -5.98 -0.43 4.64 -0.46 -3.46 113.55 107.85 2cm8 h SER 295 Ca 0.04 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.95 2cm8 h SER 295 Cb 0.19 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.35 2cm8 h SER 295 CO -0.00 0.12 -0.77 1.41 -0.87 0.00 0.00 176.83 176.73 2cm8 n HIS 296 N -3.22 -2.29 0.29 4.77 8.25 -0.56 -4.89 115.22 117.57 2cm8 n HIS 296 Ca 0.01 0.92 0.17 0.00 -0.26 0.00 0.00 57.72 58.56 2cm8 n HIS 296 Cb 0.42 -4.60 0.81 0.00 1.12 0.00 0.00 29.99 27.74 2cm8 n HIS 296 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2cm8 h GLU 297 N -2.12 0.00 -6.85 -0.41 4.11 -1.83 -3.42 114.58 104.05 2cm8 h GLU 297 Ca -0.59 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 58.39 2cm8 h GLU 297 Cb 1.36 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.66 2cm8 h GLU 297 CO 0.57 0.04 -0.02 -0.51 0.07 0.00 0.00 179.01 179.17 2cm8 s ASP 298 N -5.68 5.44 0.00 3.06 1.01 -1.26 -0.15 116.67 119.09 2cm8 s ASP 298 Ca -0.01 0.18 0.00 0.00 0.71 0.00 0.00 52.55 53.43 2cm8 s ASP 298 Cb 0.11 -1.18 0.00 0.00 1.01 0.00 0.00 42.92 42.86 2cm8 s ASP 298 CO 0.53 -1.03 0.00 -0.11 0.21 0.00 0.00 175.17 174.77