#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmt s TRP 9 N 0.00 2.95 -0.12 -0.67 0.52 -1.26 -4.07 118.94 116.28 2wmt s TRP 9 Ca 0.00 1.52 -0.00 0.00 0.02 0.00 0.00 56.10 57.64 2wmt s TRP 9 Cb 0.00 -3.45 -0.02 0.00 -1.15 0.00 0.00 33.47 28.85 2wmt s TRP 9 CO 0.00 -1.55 -0.12 -0.51 0.02 0.00 0.00 176.95 174.79 2wmt s ASP 10 N -1.12 4.09 -0.68 2.95 1.11 -0.85 -4.89 116.67 117.28 2wmt s ASP 10 Ca 0.59 -0.29 -0.22 0.00 0.18 0.00 0.00 52.55 52.80 2wmt s ASP 10 Cb -0.32 -1.55 0.07 0.00 1.07 0.00 0.00 42.92 42.19 2wmt s ASP 10 CO 0.40 0.19 0.99 -0.76 1.18 0.00 0.00 175.17 177.16 2wmt s LEU 11 N 0.24 4.39 0.15 1.23 1.43 -1.26 -0.97 118.68 123.89 2wmt s LEU 11 Ca -0.08 -1.06 -0.13 0.00 -1.03 0.00 0.00 54.13 51.83 2wmt s LEU 11 Cb -0.15 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.67 2wmt s LEU 11 CO 0.05 -1.43 1.63 0.58 0.23 0.00 0.00 176.35 177.41 2wmt h VAL 12 N 5.98 1.25 -2.45 -1.59 2.07 0.32 -3.47 116.25 118.34 2wmt h VAL 12 Ca -0.25 -0.94 0.11 0.00 0.82 0.00 0.00 66.70 66.44 2wmt h VAL 12 Cb 1.07 0.90 -0.12 0.00 -1.52 0.00 0.00 31.29 31.62 2wmt h VAL 12 CO 1.18 0.33 0.43 0.00 0.02 0.00 0.00 177.57 179.54 2wmt s GLN 13 N -5.18 1.06 -0.15 1.57 -2.07 -1.24 -4.96 119.66 108.68 2wmt s GLN 13 Ca -0.13 -0.47 -0.26 0.00 -1.82 0.00 0.00 55.36 52.68 2wmt s GLN 13 Cb 0.11 0.43 -0.02 0.00 -1.09 0.00 0.00 33.01 32.45 2wmt s GLN 13 CO 0.80 -0.47 0.85 0.99 -1.32 0.00 0.00 175.29 176.14 2wmt s THR 14 N -3.32 4.88 -0.85 3.63 2.01 -1.26 0.43 115.64 121.16 2wmt s THR 14 Ca 0.07 1.68 0.25 0.00 0.31 0.00 0.00 61.69 64.00 2wmt s THR 14 Cb -0.01 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.35 2wmt s THR 14 CO -0.05 0.04 1.36 0.18 -0.69 0.00 0.00 174.62 175.46 2wmt n LEU 15 N 5.11 0.56 0.00 4.42 4.77 0.65 -4.89 117.00 127.62 2wmt n LEU 15 Ca 0.05 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2wmt n LEU 15 Cb 0.49 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2wmt n LEU 15 CO 0.49 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2wmt n GLY 16 N 1.44 0.23 3.73 -0.72 0.00 -1.26 -4.92 105.19 103.69 2wmt n GLY 16 Ca 0.04 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 2wmt n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wmt s GLU 22 N 0.00 2.70 -0.07 1.61 -1.05 -1.23 -5.03 118.70 115.62 2wmt s GLU 22 Ca 0.00 -0.85 0.05 0.00 -0.15 0.00 0.00 54.97 54.02 2wmt s GLU 22 Cb 0.00 -2.59 -0.01 0.00 -0.44 0.00 0.00 34.13 31.10 2wmt s GLU 22 CO 0.00 0.52 -0.24 0.08 0.95 0.00 0.00 175.26 176.57 2wmt s VAL 23 N -1.50 1.99 0.15 1.83 1.01 -1.26 -1.01 120.40 121.62 2wmt s VAL 23 Ca 0.28 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.33 2wmt s VAL 23 Cb -0.11 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2wmt s VAL 23 CO 0.21 0.55 -0.17 -1.10 0.00 0.00 0.00 175.10 174.59 2wmt s GLN 24 N 0.06 1.20 -0.16 2.72 -0.21 -0.05 0.24 119.66 123.46 2wmt s GLN 24 Ca -0.10 -1.36 -0.24 0.00 0.02 0.00 0.00 55.36 53.68 2wmt s GLN 24 Cb -0.15 -1.19 -0.02 0.00 1.00 0.00 0.00 33.01 32.64 2wmt s GLN 24 CO 0.06 0.24 0.76 -1.17 -2.12 0.00 0.00 175.29 173.05 2wmt s LEU 25 N -2.62 4.20 -0.10 2.90 2.96 0.17 -1.07 118.68 125.11 2wmt s LEU 25 Ca 0.14 1.10 -0.01 0.00 -0.22 0.00 0.00 54.13 55.14 2wmt s LEU 25 Cb -0.05 -3.13 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 2wmt s LEU 25 CO 0.05 -0.31 -0.05 0.00 -1.32 0.00 0.00 176.35 174.72 2wmt s ALA 26 N 1.83 3.04 -0.10 5.97 0.00 -0.36 0.10 121.76 132.24 2wmt s ALA 26 Ca 0.36 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.49 2wmt s ALA 26 Cb -0.17 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.59 2wmt s ALA 26 CO 0.13 0.46 -0.18 0.08 0.00 0.00 0.00 175.76 176.25 2wmt s VAL 27 N -0.44 1.66 -0.23 0.00 1.01 -0.14 -0.68 120.40 121.57 2wmt s VAL 27 Ca 0.07 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 2wmt s VAL 27 Cb -0.12 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2wmt s VAL 27 CO 0.02 0.47 1.75 0.21 0.00 0.00 0.00 175.10 177.56 2wmt s ASN 28 N 0.72 6.16 0.00 3.32 3.84 0.03 -2.01 114.94 126.99 2wmt s ASN 28 Ca -0.12 1.64 0.10 0.00 0.21 0.00 0.00 52.86 54.69 2wmt s ASN 28 Cb -0.16 -2.53 0.42 0.00 -0.55 0.00 0.00 41.25 38.44 2wmt s ASN 28 CO 0.02 -1.44 1.30 -2.11 -2.79 0.00 0.00 177.10 172.09 2wmt n ARG 29 N 7.98 0.02 0.00 0.43 -4.01 -1.26 0.12 116.66 119.94 2wmt n ARG 29 Ca 0.21 0.32 0.00 0.00 -1.04 0.00 0.00 57.85 57.34 2wmt n ARG 29 Cb 0.45 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.37 2wmt n ARG 29 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2wmt n VAL 30 N -1.48 0.00 -0.17 8.89 0.31 -1.26 -4.62 118.33 120.00 2wmt n VAL 30 Ca 0.03 0.48 -0.07 0.00 -0.01 0.00 0.00 64.34 64.76 2wmt n VAL 30 Cb 0.11 -1.46 0.08 0.00 -0.91 0.00 0.00 33.84 31.66 2wmt n VAL 30 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2wmt h THR 31 N 0.00 1.26 0.00 2.52 1.35 -1.98 -3.47 112.91 112.59 2wmt h THR 31 Ca 0.00 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 2wmt h THR 31 Cb 0.00 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 2wmt h THR 31 CO 0.00 0.39 0.00 1.21 -0.25 0.00 0.00 175.52 176.87 2wmt n GLU 32 N -4.19 0.00 -2.05 4.72 4.07 0.33 -5.01 120.64 118.51 2wmt n GLU 32 Ca 0.03 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.76 2wmt n GLU 32 Cb 0.33 -1.43 0.02 0.00 -0.06 0.00 0.00 31.44 30.29 2wmt n GLU 32 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2wmt s GLU 33 N -0.46 3.38 -0.05 5.31 2.02 -1.25 -4.56 118.70 123.09 2wmt s GLU 33 Ca 0.00 1.93 -0.01 0.00 0.02 0.00 0.00 54.97 56.91 2wmt s GLU 33 Cb 0.00 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 2wmt s GLU 33 CO 0.00 -0.91 0.04 0.00 0.02 0.00 0.00 175.26 174.41 2wmt s ALA 34 N -1.48 3.42 0.30 5.21 0.00 -1.26 -0.79 121.76 127.16 2wmt s ALA 34 Ca 0.69 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.86 2wmt s ALA 34 Cb -0.33 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 2wmt s ALA 34 CO 0.38 0.63 0.26 0.14 0.00 0.00 0.00 175.76 177.17 2wmt s VAL 35 N -1.02 0.00 -0.11 0.00 -7.23 0.14 -4.47 120.40 107.71 2wmt s VAL 35 Ca 0.17 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2wmt s VAL 35 Cb -0.12 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 2wmt s VAL 35 CO 0.07 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 174.75 2wmt s ALA 36 N -3.61 2.75 -0.13 1.32 0.00 0.58 -1.23 121.76 121.44 2wmt s ALA 36 Ca 0.39 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2wmt s ALA 36 Cb 0.03 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2wmt s ALA 36 CO 0.23 0.35 -0.14 0.08 0.00 0.00 0.00 175.76 176.28 2wmt s VAL 37 N -0.04 2.97 -0.20 0.00 1.01 -0.23 -0.81 120.40 123.10 2wmt s VAL 37 Ca -0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2wmt s VAL 37 Cb -0.14 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2wmt s VAL 37 CO 0.04 0.52 -0.00 -0.75 0.00 0.00 0.00 175.10 174.91 2wmt s LYS 38 N 0.41 3.61 -0.22 2.72 2.20 -0.69 -0.87 119.74 126.89 2wmt s LYS 38 Ca -0.11 -0.52 -0.06 0.00 -0.36 0.00 0.00 55.97 54.92 2wmt s LYS 38 Cb -0.16 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 2wmt s LYS 38 CO 0.05 0.01 0.02 0.42 -0.36 0.00 0.00 175.35 175.49 2wmt s ILE 39 N 1.01 3.98 -0.10 5.43 -1.09 -0.18 -1.60 121.20 128.66 2wmt s ILE 39 Ca 0.02 -0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 2wmt s ILE 39 Cb -0.14 -2.83 0.02 0.00 -1.58 0.00 0.00 42.46 37.93 2wmt s ILE 39 CO 0.02 0.39 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.29 2wmt s VAL 40 N 1.32 1.36 -0.08 2.92 1.01 -0.81 -3.55 120.40 122.58 2wmt s VAL 40 Ca 0.04 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2wmt s VAL 40 Cb -0.15 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.99 2wmt s VAL 40 CO 0.01 0.41 -0.16 1.51 0.00 0.00 0.00 175.10 176.88 2wmt s ASP 41 N 1.03 2.17 0.74 3.32 1.47 -1.26 -0.79 116.67 123.35 2wmt s ASP 41 Ca -0.06 -0.38 -0.13 0.00 1.18 0.00 0.00 52.55 53.16 2wmt s ASP 41 Cb -0.15 -1.00 0.04 0.00 -0.34 0.00 0.00 42.92 41.47 2wmt s ASP 41 CO -0.02 0.07 1.11 0.00 0.68 0.00 0.00 175.17 177.02 2wmt s MET 42 N 0.57 2.33 0.00 2.11 0.23 -1.26 -5.07 119.30 118.20 2wmt s MET 42 Ca -0.16 1.35 0.00 0.00 -1.03 0.00 0.00 55.69 55.85 2wmt s MET 42 Cb -0.16 -1.89 0.00 0.00 -1.53 0.00 0.00 34.83 31.24 2wmt s MET 42 CO 0.05 -1.61 0.00 -1.71 -2.03 0.00 0.00 175.02 169.72 2wmt n ASN 51 N -3.09 0.00 0.18 -1.18 2.85 -1.26 -5.16 115.26 107.59 2wmt n ASN 51 Ca 0.10 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.60 2wmt n ASN 51 Cb 0.52 0.00 0.32 0.00 1.24 0.00 0.00 39.78 41.86 2wmt n ASN 51 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 2wmt h ILE 52 N 0.00 1.21 -0.31 -1.44 6.09 -1.99 -1.62 117.51 119.44 2wmt h ILE 52 Ca 0.00 -1.53 -0.10 0.00 -1.37 0.00 0.00 64.86 61.86 2wmt h ILE 52 Cb 0.00 1.85 -0.01 0.00 0.47 0.00 0.00 36.82 39.12 2wmt h ILE 52 CO 0.00 0.42 -0.22 0.11 -3.07 0.00 0.00 178.15 175.39 2wmt h LYS 53 N 0.00 0.59 0.12 2.19 1.57 -2.00 -2.67 116.57 116.36 2wmt h LYS 53 Ca -0.00 -0.22 -0.27 0.00 -1.87 0.00 0.00 60.65 58.28 2wmt h LYS 53 Cb 0.81 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.10 2wmt h LYS 53 CO 0.06 0.77 -1.21 -0.22 -0.57 0.00 0.00 179.45 178.28 2wmt h LYS 54 N 0.52 0.37 -0.85 3.15 3.64 -1.92 -2.35 116.57 119.13 2wmt h LYS 54 Ca 0.08 -0.56 0.04 0.00 -1.27 0.00 0.00 60.65 58.94 2wmt h LYS 54 Cb 0.67 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.63 2wmt h LYS 54 CO 0.05 1.24 0.54 1.49 -2.27 0.00 0.00 179.45 180.50 2wmt h GLU 55 N 0.14 1.00 -0.21 1.90 4.81 -1.18 0.11 114.58 121.15 2wmt h GLU 55 Ca -0.14 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 2wmt h GLU 55 Cb 1.90 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 31.05 2wmt h GLU 55 CO 0.21 0.66 -0.14 0.82 -0.73 0.00 0.00 179.01 179.83 2wmt h ILE 56 N 1.03 1.32 0.41 2.32 2.04 -1.52 -0.64 117.51 122.48 2wmt h ILE 56 Ca 0.35 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 2wmt h ILE 56 Cb 0.05 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 2wmt h ILE 56 CO -0.13 0.38 -0.47 0.00 0.00 0.00 0.00 178.15 177.93 2wmt h ILE 58 N -0.89 0.58 -0.89 0.00 2.04 -0.86 -1.86 117.51 115.62 2wmt h ILE 58 Ca -0.05 -0.01 0.13 0.00 1.00 0.00 0.00 64.86 65.93 2wmt h ILE 58 Cb 0.79 0.55 -0.09 0.00 -0.74 0.00 0.00 36.82 37.33 2wmt h ILE 58 CO -0.09 0.00 0.50 0.78 0.00 0.00 0.00 178.15 179.35 2wmt h ASN 59 N 0.03 0.67 -0.38 1.72 2.35 -0.64 -0.23 115.58 119.10 2wmt h ASN 59 Ca 0.22 0.07 0.11 0.00 -0.55 0.00 0.00 56.30 56.15 2wmt h ASN 59 Cb 0.33 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2wmt h ASN 59 CO -0.44 0.32 0.28 0.11 -1.65 0.00 0.00 177.43 176.05 2wmt h LYS 60 N 0.75 0.00 0.00 0.81 1.79 -0.25 -1.24 116.57 118.43 2wmt h LYS 60 Ca 0.47 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.89 2wmt h LYS 60 Cb 0.58 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 2wmt h LYS 60 CO -0.32 0.00 -0.25 0.52 -1.08 0.00 0.00 179.45 178.33 2wmt h MET 61 N 0.00 0.00 -6.41 3.15 2.86 -0.98 -3.46 114.93 110.09 2wmt h MET 61 Ca 0.18 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.28 2wmt h MET 61 Cb 0.73 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 2wmt h MET 61 CO -0.00 0.25 0.35 -0.51 1.06 0.00 0.00 176.91 178.06 2wmt s LEU 62 N -6.40 4.38 -0.29 1.22 1.43 -0.47 -5.02 118.68 113.54 2wmt s LEU 62 Ca 0.04 1.65 0.03 0.00 -1.03 0.00 0.00 54.13 54.82 2wmt s LEU 62 Cb 0.07 -3.54 0.17 0.00 0.03 0.00 0.00 46.19 42.92 2wmt s LEU 62 CO 0.69 -0.23 0.47 0.21 0.23 0.00 0.00 176.35 177.72 2wmt s ASN 63 N 0.88 -0.28 -0.21 2.29 2.47 -1.26 -4.75 114.94 114.08 2wmt s ASN 63 Ca 0.51 -0.14 -0.27 0.00 0.42 0.00 0.00 52.86 53.37 2wmt s ASN 63 Cb -0.21 1.42 0.10 0.00 -1.45 0.00 0.00 41.25 41.10 2wmt s ASN 63 CO 0.28 -0.33 0.87 -2.28 -3.72 0.00 0.00 177.10 171.91 2wmt s HIS 64 N 2.64 -0.58 -1.48 0.43 2.46 -1.26 -5.05 115.29 112.45 2wmt s HIS 64 Ca 0.10 1.27 0.17 0.00 0.47 0.00 0.00 55.06 57.06 2wmt s HIS 64 Cb -0.12 0.36 0.85 0.00 -0.13 0.00 0.00 32.58 33.55 2wmt s HIS 64 CO -0.28 -0.37 1.48 -0.85 -2.47 0.00 0.00 174.74 172.25 2wmt n GLU 65 N 1.80 0.26 -0.31 2.88 0.00 -1.26 -1.88 120.64 122.13 2wmt n GLU 65 Ca -0.14 0.12 0.07 0.00 0.00 0.00 0.00 57.16 57.21 2wmt n GLU 65 Cb 0.56 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.70 2wmt n GLU 65 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2wmt n ASN 66 N -1.26 3.36 -4.06 -1.84 5.03 -1.26 -4.79 115.26 110.43 2wmt n ASN 66 Ca 0.08 -2.67 -0.24 0.00 0.87 0.00 0.00 54.58 52.62 2wmt n ASN 66 Cb 0.13 -0.41 -0.16 0.00 -1.02 0.00 0.00 39.78 38.31 2wmt n ASN 66 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2wmt s VAL 67 N -2.20 1.13 0.03 2.41 1.01 -0.79 -0.53 120.40 121.46 2wmt s VAL 67 Ca 0.33 -0.53 -0.35 0.00 0.00 0.00 0.00 61.98 61.43 2wmt s VAL 67 Cb 0.25 -1.00 -0.13 0.00 0.00 0.00 0.00 36.38 35.50 2wmt s VAL 67 CO 0.10 0.34 1.68 0.52 0.00 0.00 0.00 175.10 177.74 2wmt n VAL 68 N 3.37 0.25 -2.32 2.92 0.31 -0.47 -4.65 118.33 117.74 2wmt n VAL 68 Ca -0.19 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.68 2wmt n VAL 68 Cb 0.53 -1.58 -0.03 0.00 -0.91 0.00 0.00 33.84 31.84 2wmt n VAL 68 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wmt s LYS 69 N 2.27 4.48 -0.21 5.55 1.02 -1.26 -4.78 119.74 126.81 2wmt s LYS 69 Ca 0.86 1.96 -0.17 0.00 0.02 0.00 0.00 55.97 58.63 2wmt s LYS 69 Cb -0.73 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 33.35 2wmt s LYS 69 CO 0.46 -0.08 0.47 0.12 -0.92 0.00 0.00 175.35 175.40 2wmt s PHE 70 N -0.43 3.36 -0.20 3.18 5.36 -1.26 -0.22 117.98 127.76 2wmt s PHE 70 Ca 0.51 0.69 -0.16 0.00 -0.96 0.00 0.00 56.93 57.02 2wmt s PHE 70 Cb -0.35 -2.62 -0.09 0.00 -0.34 0.00 0.00 43.02 39.63 2wmt s PHE 70 CO 0.41 -0.09 -0.25 0.66 -1.46 0.00 0.00 175.22 174.49 2wmt n TYR 71 N 4.75 0.31 -3.95 10.12 4.01 0.10 -4.99 117.16 127.51 2wmt n TYR 71 Ca -0.06 0.13 0.02 0.00 -0.16 0.00 0.00 57.90 57.83 2wmt n TYR 71 Cb 0.51 -0.77 0.01 0.00 -0.31 0.00 0.00 39.34 38.77 2wmt n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wmt n GLY 72 N 1.43 0.39 3.27 2.72 0.00 -1.21 -5.02 105.19 106.77 2wmt n GLY 72 Ca -0.26 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 2wmt n GLY 72 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wmt s HIS 73 N -2.43 0.07 -0.13 1.61 -3.43 -1.26 -0.30 115.29 109.42 2wmt s HIS 73 Ca 0.14 -0.45 -0.07 0.00 -0.80 0.00 0.00 55.06 53.88 2wmt s HIS 73 Cb -0.00 0.06 0.05 0.00 -1.43 0.00 0.00 32.58 31.25 2wmt s HIS 73 CO -0.01 -0.63 0.31 1.03 -2.00 0.00 0.00 174.74 173.45 2wmt s ARG 74 N -3.86 0.29 -1.06 -0.38 0.52 -0.79 -4.99 118.95 108.68 2wmt s ARG 74 Ca 0.06 0.62 -0.11 0.00 -0.52 0.00 0.00 55.73 55.78 2wmt s ARG 74 Cb 0.03 -0.07 0.24 0.00 0.52 0.00 0.00 34.95 35.68 2wmt s ARG 74 CO -0.09 -0.15 1.10 1.03 0.02 0.00 0.00 175.30 177.20 2wmt s ARG 75 N 1.25 4.04 0.01 3.54 3.00 -1.26 -1.95 118.95 127.58 2wmt s ARG 75 Ca -0.09 -2.89 -0.12 0.00 0.00 0.00 0.00 55.73 52.63 2wmt s ARG 75 Cb -0.09 -4.64 -0.07 0.00 0.00 0.00 0.00 34.95 30.15 2wmt s ARG 75 CO -0.10 -1.37 0.95 0.93 0.00 0.00 0.00 175.30 175.72 2wmt h GLU 76 N 7.08 -0.43 -2.80 3.54 5.08 -1.99 -3.49 114.58 121.57 2wmt h GLU 76 Ca 0.19 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2wmt h GLU 76 Cb 0.91 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2wmt h GLU 76 CO 1.01 -0.28 -0.04 1.51 -1.00 0.00 0.00 179.01 180.20 2wmt n ILE 79 N -3.46 -0.24 -4.35 3.13 3.06 -1.26 -5.10 119.36 111.14 2wmt n ILE 79 Ca -0.05 0.11 -0.34 0.00 -2.50 0.00 0.00 62.75 59.97 2wmt n ILE 79 Cb 0.17 -0.15 -0.11 0.00 0.54 0.00 0.00 39.64 40.09 2wmt n ILE 79 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 2wmt s GLN 80 N -1.56 3.61 -0.17 9.51 2.00 0.03 -4.96 119.66 128.11 2wmt s GLN 80 Ca 0.00 -0.48 -0.04 0.00 -2.00 0.00 0.00 55.36 52.84 2wmt s GLN 80 Cb 0.00 -2.93 -0.02 0.00 0.80 0.00 0.00 33.01 30.86 2wmt s GLN 80 CO 0.00 0.32 -0.04 0.71 -0.50 0.00 0.00 175.29 175.78 2wmt s TYR 81 N 0.17 2.99 -0.14 1.67 1.51 -0.82 -1.92 117.35 120.80 2wmt s TYR 81 Ca -0.00 -0.48 -0.02 0.00 -1.01 0.00 0.00 57.07 55.56 2wmt s TYR 81 Cb -0.13 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 2wmt s TYR 81 CO 0.02 -0.19 -0.07 -0.51 -1.11 0.00 0.00 175.55 173.69 2wmt s LEU 82 N 0.69 3.04 -0.50 -1.29 1.02 -0.62 -1.88 118.68 119.14 2wmt s LEU 82 Ca -0.02 -0.20 -0.12 0.00 0.02 0.00 0.00 54.13 53.81 2wmt s LEU 82 Cb -0.15 -1.71 0.12 0.00 0.02 0.00 0.00 46.19 44.48 2wmt s LEU 82 CO 0.02 0.18 0.41 -0.36 0.02 0.00 0.00 176.35 176.62 2wmt s PHE 83 N 0.30 3.36 0.09 0.29 0.08 0.59 -1.71 117.98 120.98 2wmt s PHE 83 Ca -0.06 -1.65 0.08 0.00 0.12 0.00 0.00 56.93 55.42 2wmt s PHE 83 Cb -0.15 -3.62 -0.04 0.00 -0.57 0.00 0.00 43.02 38.65 2wmt s PHE 83 CO 0.04 -1.00 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.47 2wmt s LEU 84 N 1.44 2.68 0.16 -0.37 1.43 0.01 0.00 118.68 124.03 2wmt s LEU 84 Ca 0.05 -0.50 -0.33 0.00 -1.03 0.00 0.00 54.13 52.32 2wmt s LEU 84 Cb -0.28 -1.55 -0.16 0.00 0.03 0.00 0.00 46.19 44.24 2wmt s LEU 84 CO 0.01 0.21 1.09 1.21 0.23 0.00 0.00 176.35 179.09 2wmt n GLU 85 N 1.09 0.94 -3.31 1.70 2.13 0.69 -0.31 120.64 123.58 2wmt n GLU 85 Ca -0.16 0.33 -0.39 0.00 0.66 0.00 0.00 57.16 57.61 2wmt n GLU 85 Cb 0.52 -1.78 -0.07 0.00 0.27 0.00 0.00 31.44 30.38 2wmt n GLU 85 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2wmt s TYR 86 N -0.27 3.39 -0.39 4.31 5.04 -1.26 -4.43 117.35 123.73 2wmt s TYR 86 Ca 0.74 0.72 -0.09 0.00 -2.44 0.00 0.00 57.07 56.00 2wmt s TYR 86 Cb -0.90 -2.60 0.06 0.00 0.35 0.00 0.00 41.96 38.87 2wmt s TYR 86 CO 0.53 -0.03 0.20 0.00 -1.34 0.00 0.00 175.55 174.92 2wmt n SER 88 N 4.90 0.46 0.08 0.00 3.41 -1.18 -2.60 113.62 118.69 2wmt n SER 88 Ca -0.11 -1.38 0.12 0.00 -0.26 0.00 0.00 58.87 57.24 2wmt n SER 88 Cb 0.44 -0.02 0.10 0.00 -0.26 0.00 0.00 64.21 64.47 2wmt n SER 88 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wmt h GLY 89 N 5.18 0.00 0.00 5.00 0.00 -0.59 -3.47 103.07 109.19 2wmt h GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wmt h GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2wmt n GLY 90 N 1.28 -2.10 3.85 4.60 0.00 -1.07 -4.66 105.19 107.09 2wmt n GLY 90 Ca 0.02 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 2wmt n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wmt s GLU 91 N -0.05 4.00 0.42 1.61 -1.05 -1.26 0.21 118.70 122.58 2wmt s GLU 91 Ca 0.00 0.76 0.08 0.00 -0.15 0.00 0.00 54.97 55.66 2wmt s GLU 91 Cb 0.00 -2.34 0.89 0.00 -0.44 0.00 0.00 34.13 32.24 2wmt s GLU 91 CO 0.00 0.03 2.05 1.25 0.95 0.00 0.00 175.26 179.54 2wmt h LEU 92 N 1.83 0.40 -1.56 1.83 5.85 -0.21 -1.65 115.31 121.80 2wmt h LEU 92 Ca -0.48 -0.02 0.37 0.00 0.84 0.00 0.00 57.88 58.60 2wmt h LEU 92 Cb 1.18 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 42.01 2wmt h LEU 92 CO 0.64 0.32 0.84 0.15 -0.34 0.00 0.00 178.44 180.04 2wmt h PHE 93 N 0.47 0.42 -0.47 1.25 3.57 -1.77 0.20 116.94 120.61 2wmt h PHE 93 Ca 0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2wmt h PHE 93 Cb -0.01 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.62 2wmt h PHE 93 CO 0.00 -0.06 0.00 -0.25 -2.23 0.00 0.00 178.31 175.77 2wmt n ASP 94 N -4.50 3.29 -0.35 0.41 10.43 -0.62 -2.96 116.55 122.24 2wmt n ASP 94 Ca 0.31 -2.23 0.04 0.00 2.57 0.00 0.00 54.79 55.48 2wmt n ASP 94 Cb 1.26 -0.45 0.05 0.00 1.84 0.00 0.00 41.12 43.82 2wmt n ASP 94 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2wmt n ARG 95 N 0.78 0.77 -3.58 -1.24 5.12 0.71 -4.92 116.66 114.30 2wmt n ARG 95 Ca 0.18 -1.19 -0.41 0.00 -1.93 0.00 0.00 57.85 54.50 2wmt n ARG 95 Cb 0.60 -1.16 -0.11 0.00 -1.16 0.00 0.00 32.46 30.63 2wmt n ARG 95 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2wmt s ILE 96 N -0.74 4.78 -0.04 0.55 1.01 -1.16 -4.70 121.20 120.90 2wmt s ILE 96 Ca 0.11 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 2wmt s ILE 96 Cb 0.07 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 2wmt s ILE 96 CO 0.10 -0.17 1.39 -0.70 0.00 0.00 0.00 174.94 175.56 2wmt s GLU 97 N 1.61 4.27 0.25 2.79 2.12 -0.34 -4.87 118.70 124.53 2wmt s GLU 97 Ca 0.03 1.92 -0.31 0.00 0.36 0.00 0.00 54.97 56.98 2wmt s GLU 97 Cb -0.19 -3.66 -0.13 0.00 0.26 0.00 0.00 34.13 30.41 2wmt s GLU 97 CO 0.08 -0.62 1.34 -2.30 -0.54 0.00 0.00 175.26 173.22 2wmt n PRO 98 N 5.81 1.94 -0.41 4.30 -0.02 -1.26 -0.17 135.00 145.18 2wmt n PRO 98 Ca 0.14 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2wmt n PRO 98 Cb 0.44 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2wmt n PRO 98 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2wmt n ASP 99 N 1.86 0.00 -0.01 2.55 2.03 -0.27 -4.66 116.55 118.05 2wmt n ASP 99 Ca 0.11 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.39 2wmt n ASP 99 Cb 0.32 -1.44 -0.01 0.00 -0.72 0.00 0.00 41.12 39.27 2wmt n ASP 99 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2wmt n ILE 100 N -2.00 0.12 0.00 5.18 2.08 -0.59 -4.63 119.36 119.52 2wmt n ILE 100 Ca 0.00 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2wmt n ILE 100 Cb 0.00 -1.43 0.00 0.00 -0.75 0.00 0.00 39.64 37.46 2wmt n ILE 100 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wmt n GLY 101 N 2.92 0.85 3.75 7.39 0.00 0.77 -3.88 105.19 116.99 2wmt n GLY 101 Ca -0.04 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 44.66 2wmt n GLY 101 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wmt s MET 102 N 0.00 1.66 0.06 1.61 0.23 -0.05 -1.20 119.30 121.62 2wmt s MET 102 Ca 0.00 -0.86 -0.35 0.00 -1.03 0.00 0.00 55.69 53.44 2wmt s MET 102 Cb 0.00 0.60 -0.15 0.00 -1.53 0.00 0.00 34.83 33.76 2wmt s MET 102 CO 0.00 -0.75 1.56 -2.30 -2.03 0.00 0.00 175.02 171.50 2wmt n PRO 103 N -0.44 1.74 -0.32 3.16 -0.02 -1.26 -4.80 135.00 133.06 2wmt n PRO 103 Ca -0.07 0.63 0.17 0.00 -2.02 0.00 0.00 63.50 62.21 2wmt n PRO 103 Cb 0.60 -2.36 0.37 0.00 -0.02 0.00 0.00 33.50 32.09 2wmt n PRO 103 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wmt h GLU 104 N 6.08 0.27 -0.73 -0.52 4.81 -1.97 0.06 114.58 122.59 2wmt h GLU 104 Ca -0.46 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 2wmt h GLU 104 Cb 1.29 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 2wmt h GLU 104 CO 0.87 0.18 0.36 -1.35 -0.73 0.00 0.00 179.01 178.34 2wmt h PRO 105 N 0.28 1.05 -0.80 0.92 0.11 -1.91 -0.21 132.00 131.44 2wmt h PRO 105 Ca 0.63 -0.15 -0.03 0.00 0.11 0.00 0.00 66.00 66.55 2wmt h PRO 105 Cb 1.33 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2wmt h PRO 105 CO -0.62 0.81 0.37 -0.44 -0.21 0.00 0.00 178.00 177.91 2wmt h ASP 106 N 1.02 1.06 -0.60 -2.05 3.45 -1.37 -2.01 116.42 115.92 2wmt h ASP 106 Ca 0.25 -0.13 -0.02 0.00 0.43 0.00 0.00 57.03 57.56 2wmt h ASP 106 Cb 0.11 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.58 2wmt h ASP 106 CO -0.03 0.90 0.29 0.00 -1.57 0.00 0.00 179.24 178.83 2wmt h ALA 107 N 1.25 0.77 -0.35 3.45 0.00 -0.91 -0.79 119.26 122.69 2wmt h ALA 107 Ca 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2wmt h ALA 107 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2wmt h ALA 107 CO -0.03 0.33 0.10 0.37 0.00 0.00 0.00 179.25 180.02 2wmt h GLN 108 N 0.82 0.54 -0.37 0.00 4.15 -0.89 0.69 115.11 120.04 2wmt h GLN 108 Ca 0.21 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.54 2wmt h GLN 108 Cb 0.11 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 2wmt h GLN 108 CO -0.03 0.58 0.16 -0.09 -1.93 0.00 0.00 178.83 177.52 2wmt h ARG 109 N 0.40 0.32 -0.58 1.69 2.43 -1.12 0.14 114.38 117.66 2wmt h ARG 109 Ca 0.11 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2wmt h ARG 109 Cb 0.27 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2wmt h ARG 109 CO -0.00 0.21 0.01 0.74 -1.51 0.00 0.00 179.97 179.42 2wmt h PHE 110 N 0.33 1.09 -0.72 2.20 0.04 -0.89 -2.51 116.94 116.47 2wmt h PHE 110 Ca 0.16 -0.18 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 2wmt h PHE 110 Cb 0.11 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 2wmt h PHE 110 CO -0.12 0.96 0.24 0.35 -0.60 0.00 0.00 178.31 179.14 2wmt h PHE 111 N 0.92 1.14 -0.09 -0.55 3.57 -0.41 -0.16 116.94 121.37 2wmt h PHE 111 Ca 0.17 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.59 2wmt h PHE 111 Cb 0.52 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2wmt h PHE 111 CO 0.03 0.90 -0.08 0.45 -2.23 0.00 0.00 178.31 177.38 2wmt h HIS 112 N 1.06 -0.21 -0.01 0.41 3.86 -0.45 -0.59 115.15 119.21 2wmt h HIS 112 Ca 0.23 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.41 2wmt h HIS 112 Cb 0.28 0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 2wmt h HIS 112 CO 0.02 -0.13 -0.24 1.96 0.86 0.00 0.00 177.93 180.41 2wmt h GLN 113 N -0.11 0.02 -0.16 2.45 4.20 -1.28 -1.04 115.11 119.19 2wmt h GLN 113 Ca 0.06 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 2wmt h GLN 113 Cb 0.20 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2wmt h GLN 113 CO -0.15 0.25 -0.03 1.25 -0.67 0.00 0.00 178.83 179.48 2wmt h LEU 114 N 0.02 0.31 -0.89 1.46 5.85 -0.57 -1.07 115.31 120.42 2wmt h LEU 114 Ca 0.00 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.40 2wmt h LEU 114 Cb 0.43 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2wmt h LEU 114 CO 0.03 0.59 0.58 0.24 -0.34 0.00 0.00 178.44 179.54 2wmt h MET 115 N 0.02 1.10 -0.12 1.25 2.86 -0.72 -0.54 114.93 118.78 2wmt h MET 115 Ca 0.04 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2wmt h MET 115 Cb 0.45 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2wmt h MET 115 CO 0.01 0.73 0.08 0.00 1.06 0.00 0.00 176.91 178.79 2wmt h ALA 116 N 1.36 0.15 -0.60 6.32 0.00 -1.06 0.28 119.26 125.71 2wmt h ALA 116 Ca 0.35 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.35 2wmt h ALA 116 Cb -0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 2wmt h ALA 116 CO -0.11 -0.36 0.19 0.78 0.00 0.00 0.00 179.25 179.75 2wmt h GLY 117 N 0.15 0.82 0.97 0.00 0.00 -0.82 -1.96 103.07 102.24 2wmt h GLY 117 Ca 0.04 -0.09 -0.20 0.00 0.00 0.00 0.00 47.33 47.08 2wmt h GLY 117 CO -0.01 -0.06 -0.79 -2.08 0.00 0.00 0.00 176.54 173.61 2wmt h VAL 118 N 0.35 1.36 -0.86 4.60 2.07 -0.69 -2.23 116.25 120.85 2wmt h VAL 118 Ca 0.31 -2.13 0.12 0.00 0.82 0.00 0.00 66.70 65.81 2wmt h VAL 118 Cb 0.42 2.47 -0.08 0.00 -1.52 0.00 0.00 31.29 32.58 2wmt h VAL 118 CO -0.34 0.64 0.48 0.58 0.02 0.00 0.00 177.57 178.95 2wmt h VAL 119 N 0.13 0.85 0.79 2.57 2.07 -0.33 0.65 116.25 122.98 2wmt h VAL 119 Ca -0.10 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2wmt h VAL 119 Cb 1.47 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2wmt h VAL 119 CO 0.16 0.14 -0.38 0.22 0.02 0.00 0.00 177.57 177.73 2wmt h TYR 120 N 0.76 -0.98 -0.45 1.57 3.20 -1.18 0.16 116.97 120.05 2wmt h TYR 120 Ca 0.43 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.37 2wmt h TYR 120 Cb 0.48 0.32 -0.08 0.00 1.54 0.00 0.00 36.73 38.99 2wmt h TYR 120 CO -0.06 -0.59 -0.10 -0.07 -1.64 0.00 0.00 178.16 175.69 2wmt h LEU 121 N -1.16 -0.39 -1.63 2.82 3.38 -1.09 -0.38 115.31 116.86 2wmt h LEU 121 Ca -0.11 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2wmt h LEU 121 Cb 0.82 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2wmt h LEU 121 CO 0.18 -0.14 0.09 0.45 0.09 0.00 0.00 178.44 179.11 2wmt h HIS 122 N 0.01 0.32 0.00 1.13 3.86 -0.78 -0.17 115.15 119.52 2wmt h HIS 122 Ca 0.22 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 2wmt h HIS 122 Cb 0.33 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 2wmt h HIS 122 CO -0.38 0.27 -0.23 0.78 0.86 0.00 0.00 177.93 179.23 2wmt h GLY 123 N 0.48 0.00 -2.33 2.45 0.00 0.10 -2.58 103.07 101.19 2wmt h GLY 123 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.19 2wmt h GLY 123 CO -0.01 0.00 0.04 0.29 0.00 0.00 0.00 176.54 176.86 2wmt n ILE 124 N -3.88 2.64 -1.21 2.60 -5.35 -0.74 -4.95 119.36 108.47 2wmt n ILE 124 Ca -0.02 -2.56 -0.06 0.00 -0.27 0.00 0.00 62.75 59.84 2wmt n ILE 124 Cb 0.32 -0.34 -0.02 0.00 -1.74 0.00 0.00 39.64 37.86 2wmt n ILE 124 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wmt n GLY 125 N -1.08 0.81 3.34 3.28 0.00 -0.94 -4.92 105.19 105.67 2wmt n GLY 125 Ca 0.37 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 2wmt n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wmt s ILE 126 N -2.22 2.88 -0.14 -0.61 1.01 -0.15 -0.05 121.20 121.91 2wmt s ILE 126 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 2wmt s ILE 126 Cb 0.00 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 2wmt s ILE 126 CO 0.00 0.53 -0.07 0.28 0.00 0.00 0.00 174.94 175.68 2wmt s THR 127 N 0.38 3.61 0.09 2.92 -1.32 -0.56 -3.15 115.64 117.62 2wmt s THR 127 Ca -0.12 -0.46 -0.18 0.00 -1.21 0.00 0.00 61.69 59.72 2wmt s THR 127 Cb -0.16 -2.56 -0.08 0.00 -1.51 0.00 0.00 72.50 68.19 2wmt s THR 127 CO 0.06 0.51 1.53 -0.74 -2.21 0.00 0.00 174.62 173.77 2wmt h HIS 128 N 6.65 0.51 0.00 9.09 2.76 -1.91 -1.49 115.15 130.76 2wmt h HIS 128 Ca -0.30 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 2wmt h HIS 128 Cb 1.20 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.03 2wmt h HIS 128 CO 0.52 0.62 0.00 0.54 -1.30 0.00 0.00 177.93 178.31 2wmt n ARG 129 N -4.62 0.00 -2.75 5.26 5.12 -1.26 -2.54 116.66 115.87 2wmt n ARG 129 Ca -0.03 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.85 2wmt n ARG 129 Cb 0.24 -1.47 0.06 0.00 -1.16 0.00 0.00 32.46 30.13 2wmt n ARG 129 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2wmt n ASP 130 N 0.00 0.91 -4.67 0.55 4.64 -1.26 -3.33 116.55 113.40 2wmt n ASP 130 Ca 0.00 -2.29 -0.43 0.00 -1.38 0.00 0.00 54.79 50.69 2wmt n ASP 130 Cb 0.00 -0.25 -0.02 0.00 -1.04 0.00 0.00 41.12 39.81 2wmt n ASP 130 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2wmt s ILE 131 N -2.84 4.05 0.17 5.18 1.01 -1.26 -4.81 121.20 122.71 2wmt s ILE 131 Ca 0.25 1.31 -0.23 0.00 0.00 0.00 0.00 60.65 61.97 2wmt s ILE 131 Cb 0.38 -3.84 0.06 0.00 0.01 0.00 0.00 42.46 39.07 2wmt s ILE 131 CO -0.03 -0.09 0.71 -1.59 0.00 0.00 0.00 174.94 173.94 2wmt s LYS 132 N 3.35 1.37 0.49 2.79 -2.85 -1.26 -4.80 119.74 118.83 2wmt s LYS 132 Ca 0.60 -0.63 0.15 0.00 -1.00 0.00 0.00 55.97 55.09 2wmt s LYS 132 Cb -0.26 0.55 1.15 0.00 -2.06 0.00 0.00 37.83 37.22 2wmt s LYS 132 CO 0.20 -0.61 2.09 -1.35 0.10 0.00 0.00 175.35 175.78 2wmt h PRO 133 N 2.00 0.04 -0.01 1.78 0.11 -1.93 0.14 132.00 134.13 2wmt h PRO 133 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2wmt h PRO 133 Cb 1.27 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2wmt h PRO 133 CO 0.31 0.08 0.02 0.93 -0.21 0.00 0.00 178.00 179.14 2wmt h GLU 134 N 0.04 0.00 -0.38 1.05 3.07 -1.95 -2.61 114.58 113.79 2wmt h GLU 134 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2wmt h GLU 134 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2wmt h GLU 134 CO 0.01 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.71 2wmt n ASN 135 N -3.44 3.71 -4.13 1.42 3.02 0.46 -4.82 115.26 111.48 2wmt n ASN 135 Ca -0.03 -2.48 -0.35 0.00 -0.03 0.00 0.00 54.58 51.69 2wmt n ASN 135 Cb 0.10 -0.43 -0.13 0.00 -0.61 0.00 0.00 39.78 38.71 2wmt n ASN 135 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wmt s LEU 136 N -1.88 4.38 0.30 3.41 1.43 -1.00 -1.39 118.68 123.93 2wmt s LEU 136 Ca 0.37 -1.61 0.01 0.00 -1.03 0.00 0.00 54.13 51.86 2wmt s LEU 136 Cb 0.25 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 2wmt s LEU 136 CO 0.15 -0.35 0.48 -0.76 0.23 0.00 0.00 176.35 176.10 2wmt s LEU 137 N 1.17 4.12 -0.01 1.79 1.43 -0.34 0.16 118.68 126.99 2wmt s LEU 137 Ca 0.01 0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.56 2wmt s LEU 137 Cb -0.21 -3.21 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 2wmt s LEU 137 CO -0.03 -0.20 -0.24 -0.76 0.23 0.00 0.00 176.35 175.35 2wmt s LEU 138 N -4.04 2.20 0.00 1.79 1.43 0.13 -0.51 118.68 119.69 2wmt s LEU 138 Ca 0.39 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 2wmt s LEU 138 Cb -0.10 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.74 2wmt s LEU 138 CO 0.33 0.31 0.00 -0.90 0.23 0.00 0.00 176.35 176.33 2wmt n ASP 139 N 2.30 0.00 0.12 2.29 3.85 -0.38 -0.13 116.55 124.60 2wmt n ASP 139 Ca -0.16 0.00 -0.02 0.00 -0.71 0.00 0.00 54.79 53.89 2wmt n ASP 139 Cb 0.51 0.00 0.10 0.00 -1.35 0.00 0.00 41.12 40.38 2wmt n ASP 139 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 2wmt h GLU 140 N 0.00 0.00 -0.67 0.11 9.09 -1.90 -2.45 114.58 118.76 2wmt h GLU 140 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2wmt h GLU 140 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2wmt h GLU 140 CO 0.00 0.70 0.00 0.54 0.05 0.00 0.00 179.01 180.30 2wmt n ARG 141 N -3.65 3.53 -2.98 1.06 1.74 -1.26 -4.90 116.66 110.19 2wmt n ARG 141 Ca -0.01 -2.21 -0.21 0.00 -0.77 0.00 0.00 57.85 54.65 2wmt n ARG 141 Cb 0.70 -1.94 0.03 0.00 -1.02 0.00 0.00 32.46 30.23 2wmt n ARG 141 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wmt n ASP 142 N 0.56 -5.95 -4.79 0.55 8.00 -0.92 -4.98 116.55 109.01 2wmt n ASP 142 Ca 0.20 -0.27 -0.37 0.00 0.71 0.00 0.00 54.79 55.05 2wmt n ASP 142 Cb 0.85 -4.77 -0.06 0.00 -0.02 0.00 0.00 41.12 37.11 2wmt n ASP 142 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2wmt s ASN 143 N -2.72 7.28 -0.16 -2.24 0.01 -1.26 -4.77 114.94 111.08 2wmt s ASN 143 Ca 0.29 1.65 -0.12 0.00 -0.71 0.00 0.00 52.86 53.97 2wmt s ASN 143 Cb -0.13 -2.51 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 2wmt s ASN 143 CO 0.36 0.05 0.23 -0.22 -1.51 0.00 0.00 177.10 176.01 2wmt s LEU 144 N -1.73 4.25 -0.07 0.60 0.20 -1.26 -1.25 118.68 119.42 2wmt s LEU 144 Ca 0.43 0.43 0.03 0.00 0.69 0.00 0.00 54.13 55.72 2wmt s LEU 144 Cb -0.20 -2.27 0.00 0.00 -0.43 0.00 0.00 46.19 43.30 2wmt s LEU 144 CO 0.24 0.16 -0.18 -0.54 -0.29 0.00 0.00 176.35 175.74 2wmt s LYS 145 N 0.24 2.22 -0.01 1.98 -0.14 0.33 -4.35 119.74 120.01 2wmt s LYS 145 Ca 0.14 -0.63 -0.30 0.00 -1.36 0.00 0.00 55.97 53.81 2wmt s LYS 145 Cb -0.12 -1.78 -0.04 0.00 -1.68 0.00 0.00 37.83 34.21 2wmt s LYS 145 CO 0.02 0.14 1.22 0.42 -0.76 0.00 0.00 175.35 176.39 2wmt s ILE 146 N 0.40 4.14 0.06 2.17 1.01 0.31 -1.20 121.20 128.08 2wmt s ILE 146 Ca -0.14 1.50 0.07 0.00 0.00 0.00 0.00 60.65 62.08 2wmt s ILE 146 Cb -0.16 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 2wmt s ILE 146 CO 0.05 0.04 -0.20 -0.55 0.00 0.00 0.00 174.94 174.29 2wmt s SER 147 N 1.37 2.35 -0.05 3.58 0.15 -0.48 -1.36 113.70 119.25 2wmt s SER 147 Ca 0.58 -0.55 -0.03 0.00 0.70 0.00 0.00 55.95 56.65 2wmt s SER 147 Cb -0.27 -0.17 0.01 0.00 -1.71 0.00 0.00 66.02 63.88 2wmt s SER 147 CO 0.25 0.11 0.05 -0.67 1.20 0.00 0.00 173.24 174.19 2wmt n ASP 148 N 1.67 -1.82 -1.45 5.45 4.64 -1.26 -4.81 116.55 118.98 2wmt n ASP 148 Ca -0.18 0.32 0.08 0.00 -1.38 0.00 0.00 54.79 53.63 2wmt n ASP 148 Cb 0.54 -2.00 0.34 0.00 -1.04 0.00 0.00 41.12 38.95 2wmt n ASP 148 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2wmt n PHE 149 N 0.37 1.50 -0.31 -0.67 3.01 -1.26 -4.51 117.46 115.59 2wmt n PHE 149 Ca -0.09 -0.73 0.24 0.00 1.01 0.00 0.00 57.45 57.89 2wmt n PHE 149 Cb 0.14 -0.36 0.55 0.00 -0.01 0.00 0.00 39.48 39.80 2wmt n PHE 149 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2wmt h GLY 150 N 3.27 0.98 -0.75 1.37 0.00 -1.92 -1.68 103.07 104.33 2wmt h GLY 150 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2wmt h GLY 150 CO 0.32 -0.10 -0.32 1.04 0.00 0.00 0.00 176.54 177.48 2wmt n LEU 151 N -4.54 1.65 -4.72 3.11 4.77 -1.26 -4.82 117.00 111.18 2wmt n LEU 151 Ca 0.24 -0.77 -0.32 0.00 -0.03 0.00 0.00 56.01 55.13 2wmt n LEU 151 Cb 0.91 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 42.11 2wmt n LEU 151 CO 0.28 0.31 0.72 0.00 -1.33 0.00 0.00 177.39 177.38 2wmt s ALA 152 N -1.87 1.96 0.22 -1.18 0.00 -0.63 -4.66 121.76 115.59 2wmt s ALA 152 Ca 0.13 0.56 -0.15 0.00 0.00 0.00 0.00 51.96 52.50 2wmt s ALA 152 Cb 0.13 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.87 2wmt s ALA 152 CO 0.40 -2.11 0.49 -0.08 0.00 0.00 0.00 175.76 174.45 2wmt s THR 153 N -2.55 0.02 -0.05 0.00 -1.32 -0.56 -4.97 115.64 106.22 2wmt s THR 153 Ca 0.67 -1.12 -0.25 0.00 -1.21 0.00 0.00 61.69 59.77 2wmt s THR 153 Cb -0.22 -1.88 -0.03 0.00 -1.51 0.00 0.00 72.50 68.85 2wmt s THR 153 CO 0.53 -0.10 0.79 -0.69 -2.21 0.00 0.00 174.62 172.94 2wmt s VAL 154 N -3.94 4.99 -0.03 5.08 1.01 -1.26 -1.50 120.40 124.75 2wmt s VAL 154 Ca 0.15 1.64 0.01 0.00 0.00 0.00 0.00 61.98 63.78 2wmt s VAL 154 Cb -0.01 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 2wmt s VAL 154 CO 0.03 0.22 0.05 2.22 0.00 0.00 0.00 175.10 177.61 2wmt n PHE 155 N 3.84 0.00 -3.92 5.22 -1.74 0.93 -4.90 117.46 116.90 2wmt n PHE 155 Ca 0.01 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 56.71 2wmt n PHE 155 Cb 0.51 0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.35 2wmt n PHE 155 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2wmt s ARG 156 N -1.03 0.40 -0.05 3.97 3.52 -1.08 -1.04 118.95 123.64 2wmt s ARG 156 Ca 0.00 0.08 -0.03 0.00 -0.13 0.00 0.00 55.73 55.65 2wmt s ARG 156 Cb 0.01 -0.62 0.03 0.00 -1.56 0.00 0.00 34.95 32.80 2wmt s ARG 156 CO 0.03 -0.17 0.13 -0.47 -0.81 0.00 0.00 175.30 174.00 2wmt s TYR 157 N 1.26 -0.14 -1.53 5.12 5.04 -0.59 -4.53 117.35 121.99 2wmt s TYR 157 Ca -0.06 0.39 -0.12 0.00 -2.44 0.00 0.00 57.07 54.84 2wmt s TYR 157 Cb -0.13 -0.05 0.08 0.00 0.35 0.00 0.00 41.96 42.21 2wmt s TYR 157 CO -0.02 -0.12 0.91 0.09 -1.34 0.00 0.00 175.55 175.07 2wmt n ASN 158 N 3.77 -4.08 -2.02 4.32 3.02 -1.26 -1.27 115.26 117.74 2wmt n ASN 158 Ca -0.21 -0.82 -0.18 0.00 -0.03 0.00 0.00 54.58 53.34 2wmt n ASN 158 Cb 0.54 -3.73 -0.04 0.00 -0.61 0.00 0.00 39.78 35.94 2wmt n ASN 158 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wmt n ASN 159 N -2.84 -5.03 -4.21 6.41 3.02 -1.26 -4.97 115.26 106.38 2wmt n ASN 159 Ca -0.00 0.23 -0.33 0.00 -0.03 0.00 0.00 54.58 54.44 2wmt n ASN 159 Cb 0.54 -4.33 -0.15 0.00 -0.61 0.00 0.00 39.78 35.23 2wmt n ASN 159 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2wmt s ARG 160 N -4.38 3.15 -0.02 3.52 6.06 -0.39 -5.10 118.95 121.79 2wmt s ARG 160 Ca 0.00 -0.76 -0.21 0.00 -2.50 0.00 0.00 55.73 52.26 2wmt s ARG 160 Cb 0.00 -2.67 -0.05 0.00 0.06 0.00 0.00 34.95 32.29 2wmt s ARG 160 CO 0.00 -0.12 0.62 -2.00 -2.50 0.00 0.00 175.30 171.30 2wmt s GLU 161 N 1.14 4.35 -0.20 5.12 2.12 -1.26 -1.54 118.70 128.43 2wmt s GLU 161 Ca 0.01 0.76 -0.06 0.00 0.36 0.00 0.00 54.97 56.05 2wmt s GLU 161 Cb -0.14 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 2wmt s GLU 161 CO -0.06 0.31 0.02 1.03 -0.54 0.00 0.00 175.26 176.02 2wmt s ARG 162 N 0.01 3.70 0.64 4.30 0.52 -0.21 -5.00 118.95 122.90 2wmt s ARG 162 Ca 0.32 -0.48 -0.17 0.00 -0.52 0.00 0.00 55.73 54.88 2wmt s ARG 162 Cb -0.18 -3.12 -0.01 0.00 0.52 0.00 0.00 34.95 32.16 2wmt s ARG 162 CO 0.17 0.06 1.17 -0.51 0.02 0.00 0.00 175.30 176.21 2wmt s LEU 163 N 0.89 3.52 -0.12 2.53 1.43 -1.26 -4.75 118.68 120.92 2wmt s LEU 163 Ca 0.02 2.24 -0.14 0.00 -1.03 0.00 0.00 54.13 55.22 2wmt s LEU 163 Cb -0.14 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.45 2wmt s LEU 163 CO 0.02 -1.71 0.33 -0.76 0.23 0.00 0.00 176.35 174.46 2wmt s LEU 164 N -4.51 4.31 0.00 1.79 1.43 0.46 -4.86 118.68 117.30 2wmt s LEU 164 Ca 0.73 0.65 0.08 0.00 -1.03 0.00 0.00 54.13 54.56 2wmt s LEU 164 Cb -0.26 -2.44 0.17 0.00 0.03 0.00 0.00 46.19 43.69 2wmt s LEU 164 CO 0.37 0.16 1.05 -0.46 0.23 0.00 0.00 176.35 177.71 2wmt n ASN 165 N 3.07 2.36 -4.30 2.29 0.23 -1.26 -2.27 115.26 115.38 2wmt n ASN 165 Ca -0.12 -1.79 -0.32 0.00 -0.53 0.00 0.00 54.58 51.82 2wmt n ASN 165 Cb 0.52 -0.12 -0.16 0.00 -2.08 0.00 0.00 39.78 37.95 2wmt n ASN 165 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2wmt s LYS 166 N -0.90 2.79 0.32 -3.83 1.02 -1.26 -4.95 119.74 112.93 2wmt s LYS 166 Ca 0.15 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 55.01 2wmt s LYS 166 Cb 0.08 -2.29 -0.11 0.00 -0.52 0.00 0.00 37.83 34.99 2wmt s LYS 166 CO 0.11 0.34 1.46 -1.64 -0.92 0.00 0.00 175.35 174.71 2wmt s MET 167 N -0.04 4.19 0.17 1.68 -1.94 -1.26 -5.00 119.30 117.10 2wmt s MET 167 Ca -0.06 2.45 -0.17 0.00 -1.71 0.00 0.00 55.69 56.20 2wmt s MET 167 Cb -0.15 -3.03 0.03 0.00 2.01 0.00 0.00 34.83 33.69 2wmt s MET 167 CO 0.05 -0.46 0.48 0.00 -0.01 0.00 0.00 175.02 175.07 2wmt n GLY 169 N -0.30 -1.55 3.48 0.00 0.00 -1.21 -4.92 105.19 100.68 2wmt n GLY 169 Ca -0.12 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 2wmt n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wmt s THR 170 N 0.00 3.08 0.23 2.61 2.01 -1.26 -5.04 115.64 117.28 2wmt s THR 170 Ca 0.00 -0.74 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 2wmt s THR 170 Cb 0.00 -2.21 0.22 0.00 0.01 0.00 0.00 72.50 70.51 2wmt s THR 170 CO 0.00 0.58 1.91 -0.07 -0.69 0.00 0.00 174.62 176.34 2wmt h LEU 171 N 5.28 1.04 -1.21 4.42 3.38 -1.92 -0.44 115.31 125.87 2wmt h LEU 171 Ca -0.47 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 2wmt h LEU 171 Cb 1.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2wmt h LEU 171 CO 0.50 0.76 0.17 -0.65 0.09 0.00 0.00 178.44 179.32 2wmt h PRO 172 N 1.23 0.72 -0.00 1.13 0.11 -1.73 -2.90 132.00 130.57 2wmt h PRO 172 Ca 0.33 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2wmt h PRO 172 Cb -0.13 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.85 2wmt h PRO 172 CO -0.07 0.62 -0.57 0.66 -0.21 0.00 0.00 178.00 178.43 2wmt n TYR 173 N -4.33 0.00 -2.35 0.65 4.01 -0.86 -4.86 117.16 109.42 2wmt n TYR 173 Ca 0.04 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.38 2wmt n TYR 173 Cb 0.18 -0.20 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 2wmt n TYR 173 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2wmt s VAL 174 N -2.97 3.24 0.48 -0.72 -7.23 -0.23 -3.63 120.40 109.33 2wmt s VAL 174 Ca 0.11 1.15 -0.22 0.00 -1.81 0.00 0.00 61.98 61.21 2wmt s VAL 174 Cb 0.17 -3.70 -0.07 0.00 0.56 0.00 0.00 36.38 33.35 2wmt s VAL 174 CO 0.72 0.20 1.15 0.00 -0.31 0.00 0.00 175.10 176.86 2wmt s ALA 175 N -1.28 2.91 0.40 1.32 0.00 -1.26 -4.55 121.76 119.29 2wmt s ALA 175 Ca 0.51 0.89 0.09 0.00 0.00 0.00 0.00 51.96 53.44 2wmt s ALA 175 Cb -0.32 -3.37 0.83 0.00 0.00 0.00 0.00 23.12 20.26 2wmt s ALA 175 CO 0.42 -0.66 1.98 -1.00 0.00 0.00 0.00 175.76 176.50 2wmt h PRO 176 N 1.84 0.36 0.00 0.00 0.13 -1.88 -2.96 132.00 129.49 2wmt h PRO 176 Ca -0.49 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 2wmt h PRO 176 Cb 1.25 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wmt h PRO 176 CO 0.59 0.36 -0.16 1.05 -0.23 0.00 0.00 178.00 179.61 2wmt h GLU 177 N 0.36 0.00 0.00 0.86 9.09 -1.92 -1.05 114.58 121.92 2wmt h GLU 177 Ca 0.09 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.44 2wmt h GLU 177 Cb 0.18 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.27 2wmt h GLU 177 CO -0.00 0.16 -0.26 1.25 0.05 0.00 0.00 179.01 180.21 2wmt h LEU 178 N 0.00 0.00 0.00 3.06 6.46 -1.82 0.19 115.31 123.20 2wmt h LEU 178 Ca -0.00 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.64 2wmt h LEU 178 Cb 0.44 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 2wmt h LEU 178 CO 0.02 0.26 -0.99 -0.07 -0.62 0.00 0.00 178.44 177.03 2wmt h LEU 179 N 0.00 0.00 -1.08 2.25 3.38 -1.32 -3.40 115.31 115.14 2wmt h LEU 179 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wmt h LEU 179 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2wmt h LEU 179 CO 0.03 0.46 0.00 2.29 0.09 0.00 0.00 178.44 181.31 2wmt n LYS 180 N -2.99 -0.79 -4.97 1.13 2.85 -0.99 -5.04 118.16 107.36 2wmt n LYS 180 Ca -0.04 -0.54 -0.29 0.00 -1.05 0.00 0.00 58.31 56.39 2wmt n LYS 180 Cb 0.76 -0.99 -0.15 0.00 -0.65 0.00 0.00 35.03 33.99 2wmt n LYS 180 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2wmt s ARG 181 N -0.05 1.79 0.15 -1.58 0.52 0.66 -5.01 118.95 115.43 2wmt s ARG 181 Ca 0.00 -1.00 -0.14 0.00 -0.52 0.00 0.00 55.73 54.06 2wmt s ARG 181 Cb 0.00 -1.88 0.02 0.00 0.52 0.00 0.00 34.95 33.62 2wmt s ARG 181 CO 0.00 0.50 1.70 -0.09 0.02 0.00 0.00 175.30 177.43 2wmt h ARG 182 N 5.05 0.70 -3.95 3.54 2.43 -1.93 -3.45 114.38 116.77 2wmt h ARG 182 Ca -0.44 -0.12 -0.17 0.00 -0.81 0.00 0.00 59.98 58.44 2wmt h ARG 182 Cb 1.14 -0.12 -0.21 0.00 -0.42 0.00 0.00 29.97 30.37 2wmt h ARG 182 CO 0.45 0.63 -0.68 -1.21 -1.51 0.00 0.00 179.97 177.64 2wmt s GLU 183 N -5.57 0.33 0.07 0.20 2.02 -1.26 -4.59 118.70 109.90 2wmt s GLU 183 Ca -0.13 -0.61 -0.16 0.00 0.02 0.00 0.00 54.97 54.09 2wmt s GLU 183 Cb 0.11 0.12 0.03 0.00 0.10 0.00 0.00 34.13 34.49 2wmt s GLU 183 CO 0.77 -0.06 0.38 -0.59 0.02 0.00 0.00 175.26 175.78 2wmt s PHE 184 N -1.52 -0.20 0.39 1.61 -0.12 -0.96 -4.96 117.98 112.23 2wmt s PHE 184 Ca -0.15 0.04 -0.26 0.00 -0.05 0.00 0.00 56.93 56.51 2wmt s PHE 184 Cb -0.09 0.20 -0.09 0.00 -0.63 0.00 0.00 43.02 42.40 2wmt s PHE 184 CO -0.01 -0.60 1.25 -1.01 -0.05 0.00 0.00 175.22 174.80 2wmt s HIS 185 N -2.94 2.95 0.08 3.49 3.76 -1.26 -0.40 115.29 120.97 2wmt s HIS 185 Ca -0.02 1.47 -0.15 0.00 -0.15 0.00 0.00 55.06 56.21 2wmt s HIS 185 Cb 0.00 -3.56 -0.12 0.00 1.11 0.00 0.00 32.58 30.01 2wmt s HIS 185 CO -0.06 -1.74 1.35 0.00 -0.85 0.00 0.00 174.74 173.44 2wmt h ALA 186 N 2.76 0.34 -0.04 -1.40 0.00 -1.96 -3.36 119.26 115.61 2wmt h ALA 186 Ca -0.49 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 53.95 2wmt h ALA 186 Cb 1.24 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wmt h ALA 186 CO 0.63 0.47 0.02 0.93 0.00 0.00 0.00 179.25 181.29 2wmt h GLU 187 N 0.37 0.06 0.00 0.00 5.08 -1.99 -2.20 114.58 115.90 2wmt h GLU 187 Ca 0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2wmt h GLU 187 Cb 1.03 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2wmt h GLU 187 CO 0.10 0.20 -0.03 -1.35 -1.00 0.00 0.00 179.01 176.93 2wmt h PRO 188 N -0.10 0.00 -0.45 2.33 0.11 -1.90 -1.81 132.00 130.18 2wmt h PRO 188 Ca 0.01 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.00 2wmt h PRO 188 Cb 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 2wmt h PRO 188 CO -0.00 0.03 -0.20 0.28 -0.21 0.00 0.00 178.00 177.89 2wmt h VAL 189 N 0.00 1.27 0.00 3.15 2.07 -1.54 -1.32 116.25 119.88 2wmt h VAL 189 Ca -0.00 -1.36 -0.08 0.00 0.82 0.00 0.00 66.70 66.08 2wmt h VAL 189 Cb 0.17 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2wmt h VAL 189 CO 0.00 0.46 -0.39 0.44 0.02 0.00 0.00 177.57 178.11 2wmt h ASP 190 N 0.78 0.00 -0.08 0.57 3.32 -1.22 -2.55 116.42 117.24 2wmt h ASP 190 Ca 0.10 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 2wmt h ASP 190 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2wmt h ASP 190 CO 0.06 0.39 -0.22 0.58 -1.72 0.00 0.00 179.24 178.33 2wmt h VAL 191 N 0.00 1.42 -0.07 -1.35 2.07 -1.10 -2.13 116.25 115.08 2wmt h VAL 191 Ca -0.00 -1.57 0.04 0.00 0.82 0.00 0.00 66.70 65.98 2wmt h VAL 191 Cb 0.84 2.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 2wmt h VAL 191 CO 0.05 0.45 -0.36 -0.25 0.02 0.00 0.00 177.57 177.48 2wmt h TRP 192 N -0.19 -1.01 -0.87 1.57 2.91 -1.21 -1.46 115.95 115.69 2wmt h TRP 192 Ca -0.01 0.04 0.13 0.00 1.13 0.00 0.00 58.89 60.18 2wmt h TRP 192 Cb 0.84 0.46 -0.07 0.00 -0.51 0.00 0.00 29.16 29.88 2wmt h TRP 192 CO 0.12 -0.44 0.56 0.66 -1.03 0.00 0.00 178.44 178.31 2wmt h SER 193 N -0.47 0.65 -0.03 2.65 4.64 -1.48 -0.26 113.55 119.24 2wmt h SER 193 Ca 0.07 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 2wmt h SER 193 Cb 0.59 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2wmt h SER 193 CO -0.33 0.35 -0.21 0.00 -0.87 0.00 0.00 176.83 175.76 2wmt h GLY 195 N 0.97 -0.30 0.29 0.00 0.00 -0.07 -0.17 103.07 103.78 2wmt h GLY 195 Ca 0.06 0.11 0.13 0.00 0.00 0.00 0.00 47.33 47.64 2wmt h GLY 195 CO 0.04 -0.11 0.43 -2.22 0.00 0.00 0.00 176.54 174.67 2wmt h ILE 196 N -0.35 0.76 -0.70 2.60 1.08 -1.23 0.19 117.51 119.86 2wmt h ILE 196 Ca -0.03 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 2wmt h ILE 196 Cb 0.27 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.06 2wmt h ILE 196 CO 0.05 0.12 0.39 0.58 -0.69 0.00 0.00 178.15 178.59 2wmt h VAL 197 N 0.63 1.21 -0.77 1.67 2.07 -0.87 0.75 116.25 120.95 2wmt h VAL 197 Ca 0.44 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2wmt h VAL 197 Cb 0.58 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2wmt h VAL 197 CO -0.34 0.23 0.30 0.25 0.02 0.00 0.00 177.57 178.04 2wmt h LEU 198 N 0.96 1.07 -1.05 2.57 5.85 0.31 0.33 115.31 125.35 2wmt h LEU 198 Ca 0.25 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2wmt h LEU 198 Cb 0.03 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 2wmt h LEU 198 CO -0.04 0.95 0.59 0.74 -0.34 0.00 0.00 178.44 180.34 2wmt h THR 199 N 1.12 1.24 -0.22 1.05 2.02 -0.13 -1.52 112.91 116.47 2wmt h THR 199 Ca 0.26 -0.48 -0.17 0.00 0.77 0.00 0.00 66.41 66.78 2wmt h THR 199 Cb 0.22 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 2wmt h THR 199 CO -0.02 0.25 -0.52 0.00 0.37 0.00 0.00 175.52 175.59 2wmt h ALA 200 N 1.39 0.36 -0.42 6.16 0.00 0.11 -2.42 119.26 124.44 2wmt h ALA 200 Ca 0.34 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wmt h ALA 200 Cb -0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2wmt h ALA 200 CO -0.07 0.56 0.26 0.52 0.00 0.00 0.00 179.25 180.51 2wmt h MET 201 N 0.47 0.56 -0.02 0.00 2.07 -0.65 -0.20 114.93 117.16 2wmt h MET 201 Ca -0.00 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 2wmt h MET 201 Cb 1.14 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 30.74 2wmt h MET 201 CO 0.11 0.39 -0.21 1.28 1.07 0.00 0.00 176.91 179.55 2wmt n LEU 202 N -4.45 2.25 0.00 1.22 4.77 -0.60 -0.87 117.00 119.32 2wmt n LEU 202 Ca 0.03 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 2wmt n LEU 202 Cb 0.07 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2wmt n LEU 202 CO 0.36 0.39 0.00 0.00 -1.33 0.00 0.00 177.39 176.81 2wmt n ALA 203 N 0.48 0.00 -1.40 -1.18 0.00 -0.93 -4.64 120.51 112.84 2wmt n ALA 203 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 2wmt n ALA 203 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 2wmt n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wmt n GLY 204 N 0.00 1.39 3.22 0.00 0.00 -0.09 -3.19 105.19 106.52 2wmt n GLY 204 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 2wmt n GLY 204 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wmt s GLU 205 N -3.12 0.83 0.06 1.61 -1.05 -1.26 -1.11 118.70 114.66 2wmt s GLU 205 Ca 0.00 -0.74 -0.21 0.00 -0.15 0.00 0.00 54.97 53.88 2wmt s GLU 205 Cb 0.00 0.35 -0.06 0.00 -0.44 0.00 0.00 34.13 33.97 2wmt s GLU 205 CO 0.00 -0.27 0.61 -0.51 0.95 0.00 0.00 175.26 176.04 2wmt s LEU 206 N -2.47 4.51 0.36 1.83 1.43 -1.26 -4.24 118.68 118.83 2wmt s LEU 206 Ca -0.00 1.29 0.10 0.00 -1.03 0.00 0.00 54.13 54.49 2wmt s LEU 206 Cb 0.02 -2.97 0.67 0.00 0.03 0.00 0.00 46.19 43.94 2wmt s LEU 206 CO -0.08 0.21 1.83 1.55 0.23 0.00 0.00 176.35 180.09 2wmt h PRO 207 N 4.84 0.15 -3.08 1.29 0.13 -1.93 -3.47 132.00 129.93 2wmt h PRO 207 Ca -0.48 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 2wmt h PRO 207 Cb 1.21 -0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 2wmt h PRO 207 CO 0.66 0.44 0.16 1.67 -0.23 0.00 0.00 178.00 180.69 2wmt s TRP 208 N -4.38 -0.42 0.13 1.56 -2.14 -1.26 -4.69 118.94 107.74 2wmt s TRP 208 Ca -0.04 0.16 -0.13 0.00 2.66 0.00 0.00 56.10 58.75 2wmt s TRP 208 Cb 0.14 0.52 -0.02 0.00 -3.10 0.00 0.00 33.47 31.01 2wmt s TRP 208 CO 0.74 -0.87 1.52 -0.44 -2.66 0.00 0.00 176.95 175.24 2wmt h ASP 209 N 2.07 0.87 -5.00 -2.66 3.32 -1.92 -3.42 116.42 109.67 2wmt h ASP 209 Ca -0.32 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.30 2wmt h ASP 209 Cb 1.29 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.46 2wmt h ASP 209 CO 0.38 1.06 0.18 0.00 -1.72 0.00 0.00 179.24 179.14 2wmt s GLN 210 N -4.68 1.20 -1.32 3.56 -2.07 -1.26 -2.43 119.66 112.66 2wmt s GLN 210 Ca -0.12 -0.29 -0.09 0.00 -1.82 0.00 0.00 55.36 53.04 2wmt s GLN 210 Cb 0.11 0.56 0.13 0.00 -1.09 0.00 0.00 33.01 32.71 2wmt s GLN 210 CO 0.84 -0.49 2.09 -0.35 -1.32 0.00 0.00 175.29 176.06 2wmt n PRO 211 N -0.01 3.81 -4.32 9.60 -0.04 -1.26 -4.76 135.00 138.01 2wmt n PRO 211 Ca -0.18 -3.37 -0.23 0.00 -0.04 0.00 0.00 63.50 59.68 2wmt n PRO 211 Cb 0.63 -2.87 -0.12 0.00 -0.04 0.00 0.00 33.50 31.10 2wmt n PRO 211 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2wmt s SER 212 N 0.97 2.69 0.53 3.54 1.04 -1.26 -4.56 113.70 116.64 2wmt s SER 212 Ca 0.45 -0.80 0.19 0.00 0.48 0.00 0.00 55.95 56.28 2wmt s SER 212 Cb 0.13 -0.16 1.36 0.00 0.10 0.00 0.00 66.02 67.45 2wmt s SER 212 CO -0.03 0.01 2.13 0.44 0.98 0.00 0.00 173.24 176.78 2wmt h ASP 213 N 3.56 0.00 0.00 7.02 5.19 -1.96 0.30 116.42 130.54 2wmt h ASP 213 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2wmt h ASP 213 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2wmt h ASP 213 CO 0.46 0.00 0.08 -1.54 -3.12 0.00 0.00 179.24 175.13 2wmt n SER 214 N -4.41 0.47 -4.51 6.45 3.41 -1.26 -4.48 113.62 109.29 2wmt n SER 214 Ca -0.01 0.69 -0.41 0.00 -0.26 0.00 0.00 58.87 58.88 2wmt n SER 214 Cb 0.19 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.31 2wmt n SER 214 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wmt h GLN 216 N 8.55 0.15 -0.87 0.00 5.75 -1.84 -1.56 115.11 125.29 2wmt h GLN 216 Ca -0.29 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.18 2wmt h GLN 216 Cb 1.14 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.62 2wmt h GLN 216 CO 0.68 0.10 0.48 0.93 -2.65 0.00 0.00 178.83 178.37 2wmt h GLU 217 N 0.16 1.21 -0.21 1.69 3.07 -1.93 -0.85 114.58 117.71 2wmt h GLU 217 Ca 0.24 -0.14 -0.14 0.00 -0.50 0.00 0.00 59.36 58.82 2wmt h GLU 217 Cb 0.34 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2wmt h GLU 217 CO -0.36 0.88 -0.45 -0.92 -1.40 0.00 0.00 179.01 176.76 2wmt h TYR 218 N 1.22 0.63 -0.98 4.33 3.20 -1.70 -2.85 116.97 120.82 2wmt h TYR 218 Ca 0.31 -0.20 0.01 0.00 3.14 0.00 0.00 58.73 61.99 2wmt h TYR 218 Cb 0.03 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 2wmt h TYR 218 CO 0.01 0.88 0.64 0.77 -1.64 0.00 0.00 178.16 178.82 2wmt h SER 219 N 0.43 1.13 0.03 -2.11 0.02 -0.47 -2.09 113.55 110.49 2wmt h SER 219 Ca 0.03 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2wmt h SER 219 Cb 0.95 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2wmt h SER 219 CO 0.08 0.83 -0.25 0.44 -1.14 0.00 0.00 176.83 176.79 2wmt h ASP 220 N 1.33 0.37 -0.18 3.07 3.45 -0.97 -1.85 116.42 121.65 2wmt h ASP 220 Ca 0.36 -0.12 -0.14 0.00 0.43 0.00 0.00 57.03 57.55 2wmt h ASP 220 Cb -0.14 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.53 2wmt h ASP 220 CO -0.08 0.63 -0.45 -0.25 -1.57 0.00 0.00 179.24 177.52 2wmt h TRP 221 N 0.33 0.81 0.00 4.55 2.91 -1.30 -0.40 115.95 122.85 2wmt h TRP 221 Ca 0.05 -0.31 -0.01 0.00 1.13 0.00 0.00 58.89 59.75 2wmt h TRP 221 Cb 0.63 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.13 2wmt h TRP 221 CO 0.02 1.08 -0.07 0.87 -1.03 0.00 0.00 178.44 179.31 2wmt h LYS 222 N 0.30 0.00 -0.19 2.65 1.57 -1.11 0.95 116.57 120.73 2wmt h LYS 222 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wmt h LYS 222 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2wmt h LYS 222 CO 0.10 0.07 0.00 0.39 -0.57 0.00 0.00 179.45 179.44 2wmt n GLU 223 N -4.05 1.81 -1.87 3.15 1.02 -0.72 -4.94 120.64 115.04 2wmt n GLU 223 Ca -0.03 -1.22 -0.12 0.00 -0.02 0.00 0.00 57.16 55.77 2wmt n GLU 223 Cb 0.15 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 2wmt n GLU 223 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wmt n LYS 224 N 0.45 -0.92 -1.22 3.49 4.76 0.33 -4.90 118.16 120.15 2wmt n LYS 224 Ca 0.16 0.73 -0.36 0.00 -2.87 0.00 0.00 58.31 55.97 2wmt n LYS 224 Cb 0.36 -4.84 -0.03 0.00 -1.84 0.00 0.00 35.03 28.68 2wmt n LYS 224 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2wmt n LYS 225 N -2.37 2.43 0.00 1.97 5.02 -0.23 -4.66 118.16 120.32 2wmt n LYS 225 Ca -0.14 -2.00 0.13 0.00 -2.02 0.00 0.00 58.31 54.28 2wmt n LYS 225 Cb 0.52 -2.86 0.75 0.00 -0.02 0.00 0.00 35.03 33.42 2wmt n LYS 225 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wmt n THR 226 N 4.82 0.00 1.61 -0.18 -2.24 -1.26 -2.38 114.28 114.65 2wmt n THR 226 Ca 0.55 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.47 2wmt n THR 226 Cb 0.29 -0.41 0.79 0.00 -2.10 0.00 0.00 70.33 68.91 2wmt n THR 226 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wmt n TYR 227 N -0.90 0.00 -3.06 4.78 0.18 -1.26 -2.32 117.16 114.58 2wmt n TYR 227 Ca 0.19 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.80 2wmt n TYR 227 Cb 0.09 -0.11 0.01 0.00 -0.38 0.00 0.00 39.34 38.95 2wmt n TYR 227 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2wmt s LEU 228 N -2.22 3.70 0.40 -3.48 1.43 -1.00 -4.70 118.68 112.81 2wmt s LEU 228 Ca 0.37 -0.39 -0.24 0.00 -1.03 0.00 0.00 54.13 52.83 2wmt s LEU 228 Cb 0.19 -2.67 -0.09 0.00 0.03 0.00 0.00 46.19 43.65 2wmt s LEU 228 CO 0.37 -0.72 1.08 0.20 0.23 0.00 0.00 176.35 177.50 2wmt s ASN 229 N -4.33 6.69 0.00 2.29 0.01 -1.26 -1.02 114.94 117.31 2wmt s ASN 229 Ca 0.54 2.12 0.28 0.00 -0.71 0.00 0.00 52.86 55.08 2wmt s ASN 229 Cb -0.10 -2.59 1.01 0.00 0.41 0.00 0.00 41.25 39.98 2wmt s ASN 229 CO 0.33 -0.54 1.74 -0.81 -1.51 0.00 0.00 177.10 176.30 2wmt n PRO 230 N -0.03 0.42 -0.30 -0.60 -0.05 -1.26 -4.90 135.00 128.28 2wmt n PRO 230 Ca 0.05 -0.16 -0.01 0.00 -0.05 0.00 0.00 63.50 63.32 2wmt n PRO 230 Cb 0.49 -1.50 0.17 0.00 -0.05 0.00 0.00 33.50 32.61 2wmt n PRO 230 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 175.50 173.96 2wmt h TRP 231 N 0.40 1.12 0.00 0.54 4.06 -1.57 -1.61 115.95 118.89 2wmt h TRP 231 Ca 0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2wmt h TRP 231 Cb 0.43 -0.38 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 2wmt h TRP 231 CO 0.00 0.71 0.00 1.57 -3.56 0.00 0.00 178.44 177.16 2wmt h LYS 232 N 1.20 0.00 -0.01 0.49 2.10 -0.66 -0.56 116.57 119.14 2wmt h LYS 232 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 2wmt h LYS 232 Cb -0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.20 2wmt h LYS 232 CO -0.07 0.00 -0.12 1.63 -2.00 0.00 0.00 179.45 178.89 2wmt n LYS 233 N -2.77 0.95 -3.97 0.07 5.02 -0.61 -4.85 118.16 112.00 2wmt n LYS 233 Ca -0.01 -0.44 -0.35 0.00 -2.02 0.00 0.00 58.31 55.49 2wmt n LYS 233 Cb 0.12 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.50 2wmt n LYS 233 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wmt s ILE 234 N -2.35 3.52 0.70 -0.18 1.01 -0.22 -4.85 121.20 118.83 2wmt s ILE 234 Ca 0.31 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 2wmt s ILE 234 Cb 0.20 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 2wmt s ILE 234 CO 0.45 0.42 0.52 -0.67 0.00 0.00 0.00 174.94 175.67 2wmt n ASP 235 N 4.65 -1.19 0.22 3.58 -0.08 -1.26 -4.70 116.55 117.77 2wmt n ASP 235 Ca -0.18 0.61 0.10 0.00 -1.51 0.00 0.00 54.79 53.81 2wmt n ASP 235 Cb 0.51 -1.21 0.47 0.00 2.34 0.00 0.00 41.12 43.23 2wmt n ASP 235 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2wmt h SER 236 N -0.29 0.00 0.57 1.67 4.64 -1.98 -1.88 113.55 116.28 2wmt h SER 236 Ca -0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 2wmt h SER 236 Cb 1.36 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.45 2wmt h SER 236 CO 0.43 0.23 -0.27 0.00 -0.87 0.00 0.00 176.83 176.35 2wmt h ALA 237 N 1.77 -0.76 -0.96 5.18 0.00 -2.00 -2.18 119.26 120.31 2wmt h ALA 237 Ca -0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2wmt h ALA 237 Cb 0.73 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2wmt h ALA 237 CO 0.03 -0.80 0.63 -1.35 0.00 0.00 0.00 179.25 177.77 2wmt h PRO 238 N -1.03 1.24 -0.41 0.00 0.11 -1.91 -2.41 132.00 127.59 2wmt h PRO 238 Ca -0.08 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 2wmt h PRO 238 Cb 0.65 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 2wmt h PRO 238 CO 0.13 0.82 0.23 1.25 -0.21 0.00 0.00 178.00 180.21 2wmt h LEU 239 N 1.27 0.49 -0.77 2.35 5.85 -1.36 -0.09 115.31 123.06 2wmt h LEU 239 Ca 0.36 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.95 2wmt h LEU 239 Cb -0.10 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2wmt h LEU 239 CO -0.09 0.39 -0.18 0.00 -0.34 0.00 0.00 178.44 178.22 2wmt h ALA 240 N 1.69 0.95 -0.39 1.25 0.00 -0.87 0.15 119.26 122.04 2wmt h ALA 240 Ca 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2wmt h ALA 240 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2wmt h ALA 240 CO -0.03 0.61 0.15 1.25 0.00 0.00 0.00 179.25 181.24 2wmt h LEU 241 N 0.66 0.54 -1.72 0.00 5.85 -1.18 -2.39 115.31 117.06 2wmt h LEU 241 Ca 0.10 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2wmt h LEU 241 Cb 0.67 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 2wmt h LEU 241 CO 0.05 0.56 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.49 2wmt h LEU 242 N 0.48 0.00 -1.19 2.25 3.38 -0.56 0.26 115.31 119.94 2wmt h LEU 242 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2wmt h LEU 242 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2wmt h LEU 242 CO -0.01 0.15 -0.04 0.45 0.09 0.00 0.00 178.44 179.08 2wmt h HIS 243 N 0.00 0.54 0.00 1.13 3.86 -0.25 -0.83 115.15 119.61 2wmt h HIS 243 Ca -0.00 -0.06 -0.22 0.00 -1.16 0.00 0.00 60.37 58.93 2wmt h HIS 243 Cb 0.26 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 2wmt h HIS 243 CO 0.00 0.56 -1.06 0.87 0.86 0.00 0.00 177.93 179.16 2wmt h LYS 244 N 0.49 0.00 0.03 2.45 1.57 -0.55 -3.38 116.57 117.19 2wmt h LYS 244 Ca 0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2wmt h LYS 244 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2wmt h LYS 244 CO 0.02 0.94 -0.57 0.82 -0.57 0.00 0.00 179.45 180.09 2wmt h ILE 245 N 0.00 1.46 -0.12 1.86 2.04 -0.97 -2.33 117.51 119.45 2wmt h ILE 245 Ca -0.04 -2.33 -0.24 0.00 1.00 0.00 0.00 64.86 63.25 2wmt h ILE 245 Cb 1.78 3.00 -0.08 0.00 -0.74 0.00 0.00 36.82 40.79 2wmt h ILE 245 CO 0.12 0.56 -0.14 0.18 0.00 0.00 0.00 178.15 178.87 2wmt n LEU 246 N -4.43 5.51 -4.72 1.44 4.77 -0.33 -4.70 117.00 114.54 2wmt n LEU 246 Ca -0.18 -3.33 -0.37 0.00 -0.03 0.00 0.00 56.01 52.11 2wmt n LEU 246 Cb 0.62 -1.40 -0.07 0.00 -2.33 0.00 0.00 43.42 40.23 2wmt n LEU 246 CO 0.33 1.72 0.01 -0.69 -1.33 0.00 0.00 177.39 177.42 2wmt s VAL 247 N 0.69 5.29 0.24 4.08 1.01 -1.26 -4.96 120.40 125.48 2wmt s VAL 247 Ca 0.66 0.59 -0.01 0.00 0.00 0.00 0.00 61.98 63.23 2wmt s VAL 247 Cb 0.32 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 33.07 2wmt s VAL 247 CO -0.03 0.37 1.63 -0.08 0.00 0.00 0.00 175.10 176.99 2wmt h GLU 248 N 6.74 0.56 -6.37 2.72 4.81 -1.96 -3.40 114.58 117.67 2wmt h GLU 248 Ca -0.41 -0.26 -0.57 0.00 -0.13 0.00 0.00 59.36 57.99 2wmt h GLU 248 Cb 1.16 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.46 2wmt h GLU 248 CO 0.75 0.83 0.81 1.21 -0.73 0.00 0.00 179.01 181.88 2wmt s ASN 249 N -6.83 6.78 0.54 1.04 3.84 -1.26 -4.64 114.94 114.40 2wmt s ASN 249 Ca -0.07 0.76 0.36 0.00 0.21 0.00 0.00 52.86 54.11 2wmt s ASN 249 Cb 0.13 -2.53 1.92 0.00 -0.55 0.00 0.00 41.25 40.22 2wmt s ASN 249 CO 0.82 -0.99 2.10 1.55 -2.79 0.00 0.00 177.10 177.79 2wmt h PRO 250 N 8.53 0.00 0.00 0.43 0.13 -1.97 0.12 132.00 139.24 2wmt h PRO 250 Ca -0.22 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.80 2wmt h PRO 250 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2wmt h PRO 250 CO 1.05 0.00 -0.86 0.77 -0.23 0.00 0.00 178.00 178.73 2wmt h SER 251 N 0.00 0.00 1.18 1.44 0.02 -1.94 -3.28 113.55 110.97 2wmt h SER 251 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2wmt h SER 251 Cb 0.05 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2wmt h SER 251 CO 0.00 0.44 -0.87 0.00 -1.14 0.00 0.00 176.83 175.26 2wmt h ALA 252 N 1.56 0.67 -2.93 3.77 0.00 -1.18 -3.47 119.26 117.68 2wmt h ALA 252 Ca -0.06 -0.50 -0.54 0.00 0.00 0.00 0.00 54.91 53.81 2wmt h ALA 252 Cb 1.39 0.07 0.10 0.00 0.00 0.00 0.00 17.79 19.36 2wmt h ALA 252 CO 0.05 0.60 0.80 0.50 0.00 0.00 0.00 179.25 181.19 2wmt s ARG 253 N -3.02 4.11 0.50 0.00 3.52 -0.53 -4.92 118.95 118.60 2wmt s ARG 253 Ca 0.01 2.58 -0.23 0.00 -0.13 0.00 0.00 55.73 57.96 2wmt s ARG 253 Cb 0.08 -2.97 -0.07 0.00 -1.56 0.00 0.00 34.95 30.43 2wmt s ARG 253 CO 0.77 -0.55 1.35 1.51 -0.81 0.00 0.00 175.30 177.57 2wmt n ILE 254 N 0.69 3.27 -3.14 4.11 3.06 -0.87 -5.01 119.36 121.46 2wmt n ILE 254 Ca 0.02 -0.50 -0.18 0.00 -2.50 0.00 0.00 62.75 59.59 2wmt n ILE 254 Cb 0.39 -1.69 0.01 0.00 0.54 0.00 0.00 39.64 38.88 2wmt n ILE 254 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2wmt s THR 255 N -1.25 3.32 0.15 9.51 -4.23 -1.26 -4.90 115.64 116.98 2wmt s THR 255 Ca 0.66 -1.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.05 2wmt s THR 255 Cb -0.44 -3.12 0.03 0.00 1.34 0.00 0.00 72.50 70.30 2wmt s THR 255 CO 0.53 -0.05 1.63 0.40 -0.54 0.00 0.00 174.62 176.60 2wmt h ILE 256 N 0.71 1.25 -1.00 2.99 2.04 -1.98 0.33 117.51 121.86 2wmt h ILE 256 Ca -0.42 -0.95 0.19 0.00 1.00 0.00 0.00 64.86 64.68 2wmt h ILE 256 Cb 1.27 0.88 -0.10 0.00 -0.74 0.00 0.00 36.82 38.13 2wmt h ILE 256 CO 0.47 0.34 0.61 -0.65 0.00 0.00 0.00 178.15 178.93 2wmt h PRO 257 N 0.72 0.74 0.00 2.37 0.11 -1.99 -0.20 132.00 133.74 2wmt h PRO 257 Ca 0.15 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.07 2wmt h PRO 257 Cb 0.41 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 2wmt h PRO 257 CO 0.01 0.49 -0.68 -0.44 -0.21 0.00 0.00 178.00 177.17 2wmt h ASP 258 N 0.76 0.00 -0.75 -2.05 3.45 -1.70 -2.93 116.42 113.20 2wmt h ASP 258 Ca 0.57 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.99 2wmt h ASP 258 Cb 0.89 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.62 2wmt h ASP 258 CO -0.36 0.68 0.33 0.40 -1.57 0.00 0.00 179.24 178.72 2wmt h ILE 259 N 0.00 1.25 0.00 0.35 2.04 0.32 -2.04 117.51 119.42 2wmt h ILE 259 Ca -0.01 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2wmt h ILE 259 Cb 1.37 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2wmt h ILE 259 CO 0.09 0.31 0.00 0.29 0.00 0.00 0.00 178.15 178.84 2wmt n LYS 260 N -4.30 0.13 0.00 2.37 5.02 -0.21 -1.85 118.16 119.32 2wmt n LYS 260 Ca 0.07 0.63 0.07 0.00 -2.02 0.00 0.00 58.31 57.06 2wmt n LYS 260 Cb 0.16 -1.93 0.04 0.00 -0.02 0.00 0.00 35.03 33.28 2wmt n LYS 260 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wmt n LYS 261 N -2.21 1.18 -1.92 1.97 5.02 -0.79 -4.82 118.16 116.59 2wmt n LYS 261 Ca -0.01 -1.12 -0.38 0.00 -2.02 0.00 0.00 58.31 54.78 2wmt n LYS 261 Cb 0.03 -1.23 0.02 0.00 -0.02 0.00 0.00 35.03 33.84 2wmt n LYS 261 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wmt s ASP 262 N -1.26 5.61 0.14 4.39 -1.08 -0.77 -4.91 116.67 118.79 2wmt s ASP 262 Ca 0.14 2.65 -0.18 0.00 -0.52 0.00 0.00 52.55 54.65 2wmt s ASP 262 Cb 0.11 -2.63 -0.02 0.00 -1.46 0.00 0.00 42.92 38.92 2wmt s ASP 262 CO 0.21 -1.33 1.80 -0.09 0.52 0.00 0.00 175.17 176.28 2wmt h ARG 263 N 1.75 0.42 -0.52 4.34 2.43 -1.94 -1.95 114.38 118.91 2wmt h ARG 263 Ca -0.50 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.52 2wmt h ARG 263 Cb 1.28 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 2wmt h ARG 263 CO 0.59 0.28 -0.16 2.35 -1.51 0.00 0.00 179.97 181.52 2wmt h TRP 264 N 0.43 1.16 -1.00 2.20 7.01 -1.93 0.20 115.95 124.02 2wmt h TRP 264 Ca 0.12 -0.26 0.13 0.00 2.11 0.00 0.00 58.89 60.99 2wmt h TRP 264 Cb -0.04 -0.28 -0.09 0.00 -2.10 0.00 0.00 29.16 26.65 2wmt h TRP 264 CO -0.05 1.09 0.62 -0.92 -2.79 0.00 0.00 178.44 176.38 2wmt h TYR 265 N 0.89 1.12 -0.01 2.65 5.03 -1.82 -2.25 116.97 122.58 2wmt h TYR 265 Ca 0.13 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.47 2wmt h TYR 265 Cb 0.74 -0.35 0.00 0.00 1.55 0.00 0.00 36.73 38.67 2wmt h TYR 265 CO 0.05 0.41 -0.40 0.09 -1.32 0.00 0.00 178.16 176.99 2wmt n ASN 266 N -4.65 1.29 -4.64 -2.11 3.02 -0.75 -4.90 115.26 102.51 2wmt n ASN 266 Ca 0.19 -1.04 -0.43 0.00 -0.03 0.00 0.00 54.58 53.28 2wmt n ASN 266 Cb 0.39 0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.85 2wmt n ASN 266 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2wmt s LYS 267 N -2.57 3.98 0.27 3.52 2.20 0.67 -4.98 119.74 122.83 2wmt s LYS 267 Ca 0.20 1.60 -0.30 0.00 -0.36 0.00 0.00 55.97 57.12 2wmt s LYS 267 Cb 0.18 -3.92 -0.10 0.00 -1.51 0.00 0.00 37.83 32.48 2wmt s LYS 267 CO 0.58 -1.05 1.47 -2.14 -0.36 0.00 0.00 175.35 173.84 2wmt s PRO 268 N 4.17 4.23 -0.04 4.03 0.02 -1.26 -4.98 135.00 141.18 2wmt s PRO 268 Ca 0.63 2.38 0.04 0.00 0.02 0.00 0.00 61.00 64.07 2wmt s PRO 268 Cb -0.23 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.21 2wmt s PRO 268 CO 0.24 -0.46 -0.16 -0.51 -0.33 0.00 0.00 177.00 175.78 2wmt s LEU 269 N -0.62 1.91 0.00 -5.54 1.43 -1.26 -5.14 118.68 109.46 2wmt s LEU 269 Ca 0.59 -0.33 0.17 0.00 -1.03 0.00 0.00 54.13 53.53 2wmt s LEU 269 Cb -0.43 -0.91 1.04 0.00 0.03 0.00 0.00 46.19 45.92 2wmt s LEU 269 CO 0.46 0.15 1.45 2.29 0.23 0.00 0.00 176.35 180.93