#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdk s LEU 3 N 0.00 4.15 0.60 2.46 1.43 -1.26 -5.07 118.68 120.99 1wdk s LEU 3 Ca 0.00 0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 53.17 1wdk s LEU 3 Cb 0.00 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1wdk s LEU 3 CO 0.00 0.06 1.11 0.20 0.23 0.00 0.00 176.35 177.95 1wdk s ASN 4 N 0.89 5.48 0.29 2.29 0.02 -1.26 -4.93 114.94 117.73 1wdk s ASN 4 Ca 0.10 2.04 0.04 0.00 -1.02 0.00 0.00 52.86 54.03 1wdk s ASN 4 Cb -0.13 -2.56 0.69 0.00 0.02 0.00 0.00 41.25 39.27 1wdk s ASN 4 CO 0.04 -1.38 1.78 -0.65 0.02 0.00 0.00 177.10 176.91 1wdk h PRO 5 N 0.59 0.75 -0.42 -0.60 0.11 -1.97 -1.91 132.00 128.56 1wdk h PRO 5 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1wdk h PRO 5 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1wdk h PRO 5 CO 0.56 0.50 0.00 0.54 -0.21 0.00 0.00 178.00 179.39 1wdk n ARG 6 N -4.76 1.96 -1.63 1.05 5.12 -1.26 -1.47 116.66 115.67 1wdk n ARG 6 Ca 0.22 -1.30 -0.33 0.00 -1.93 0.00 0.00 57.85 54.51 1wdk n ARG 6 Cb 0.53 -1.36 0.06 0.00 -1.16 0.00 0.00 32.46 30.53 1wdk n ARG 6 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1wdk s ASP 7 N -0.91 4.83 -0.25 0.55 1.01 -0.72 -4.03 116.67 117.15 1wdk s ASP 7 Ca 0.24 2.06 -0.13 0.00 0.71 0.00 0.00 52.55 55.43 1wdk s ASP 7 Cb 0.13 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1wdk s ASP 7 CO 0.15 -1.82 0.26 -0.69 0.21 0.00 0.00 175.17 173.28 1wdk s VAL 8 N -2.33 5.27 -0.09 -1.27 1.01 -1.26 -0.77 120.40 120.96 1wdk s VAL 8 Ca 0.68 0.37 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1wdk s VAL 8 Cb -0.22 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1wdk s VAL 8 CO 0.44 0.25 -0.08 -0.69 0.00 0.00 0.00 175.10 175.01 1wdk s VAL 9 N 1.60 3.56 -0.39 2.92 1.01 0.10 -1.58 120.40 127.61 1wdk s VAL 9 Ca 0.11 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 1wdk s VAL 9 Cb -0.15 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.77 1wdk s VAL 9 CO 0.09 0.57 0.41 -0.63 0.00 0.00 0.00 175.10 175.54 1wdk s ILE 10 N -0.43 5.11 0.16 2.22 1.09 -0.44 -1.15 121.20 127.75 1wdk s ILE 10 Ca 0.06 -0.22 -0.04 0.00 -1.10 0.00 0.00 60.65 59.36 1wdk s ILE 10 Cb -0.12 -3.97 -0.13 0.00 -1.06 0.00 0.00 42.46 37.18 1wdk s ILE 10 CO 0.02 -0.31 1.39 0.58 -0.10 0.00 0.00 174.94 176.52 1wdk h VAL 11 N 5.67 1.37 -2.17 2.92 2.07 -1.20 0.14 116.25 125.04 1wdk h VAL 11 Ca -0.27 -2.18 0.16 0.00 0.82 0.00 0.00 66.70 65.23 1wdk h VAL 11 Cb 1.12 2.16 -0.13 0.00 -1.52 0.00 0.00 31.29 32.92 1wdk h VAL 11 CO 0.76 0.66 0.54 -0.62 0.02 0.00 0.00 177.57 178.93 1wdk s ASP 12 N -7.02 -0.26 0.00 0.57 3.68 -1.23 -4.42 116.67 108.00 1wdk s ASP 12 Ca -0.06 -0.14 0.02 0.00 2.13 0.00 0.00 52.55 54.50 1wdk s ASP 12 Cb 0.10 0.38 -0.01 0.00 -1.45 0.00 0.00 42.92 41.94 1wdk s ASP 12 CO 0.85 -0.65 -0.06 0.12 0.13 0.00 0.00 175.17 175.56 1wdk s PHE 13 N -3.06 0.56 -0.12 -5.34 5.36 -1.26 -2.51 117.98 111.61 1wdk s PHE 13 Ca 0.08 -0.17 -0.13 0.00 -0.96 0.00 0.00 56.93 55.76 1wdk s PHE 13 Cb -0.01 -0.36 0.03 0.00 -0.34 0.00 0.00 43.02 42.35 1wdk s PHE 13 CO -0.05 -0.02 0.35 0.20 -1.46 0.00 0.00 175.22 174.25 1wdk s GLY 14 N -0.39 -0.25 0.07 13.12 0.00 -0.25 -4.66 107.32 114.96 1wdk s GLY 14 Ca 0.00 0.92 -0.01 0.00 0.00 0.00 0.00 44.72 45.63 1wdk s GLY 14 CO -0.00 0.77 -0.02 1.09 0.00 0.00 0.00 173.10 174.94 1wdk s ARG 15 N -0.03 0.71 0.58 2.90 1.70 0.77 -0.38 118.95 125.22 1wdk s ARG 15 Ca -0.02 -1.29 -0.06 0.00 -0.47 0.00 0.00 55.73 53.89 1wdk s ARG 15 Cb -0.03 0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 1wdk s ARG 15 CO 0.01 -0.13 0.90 0.95 -1.08 0.00 0.00 175.30 175.95 1wdk s THR 16 N -3.90 3.85 0.31 4.99 -4.23 -0.78 0.63 115.64 116.50 1wdk s THR 16 Ca 0.11 0.08 -0.29 0.00 -1.18 0.00 0.00 61.69 60.41 1wdk s THR 16 Cb 0.08 -3.52 -0.10 0.00 1.34 0.00 0.00 72.50 70.30 1wdk s THR 16 CO -0.07 -0.55 1.17 -2.84 -0.54 0.00 0.00 174.62 171.80 1wdk s PRO 17 N -4.98 4.50 -0.06 3.99 0.02 -1.26 -4.80 135.00 132.41 1wdk s PRO 17 Ca 0.53 1.94 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 1wdk s PRO 17 Cb -0.11 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 1wdk s PRO 17 CO 0.46 0.04 1.02 -1.64 -0.33 0.00 0.00 177.00 176.55 1wdk s MET 18 N -1.64 4.46 0.14 5.54 -1.94 -1.26 -4.85 119.30 119.75 1wdk s MET 18 Ca 0.47 1.44 0.07 0.00 -1.71 0.00 0.00 55.69 55.96 1wdk s MET 18 Cb -0.34 -3.51 -0.04 0.00 2.01 0.00 0.00 34.83 32.95 1wdk s MET 18 CO 0.45 -0.24 -0.02 0.20 -0.01 0.00 0.00 175.02 175.39 1wdk s GLY 19 N 1.10 1.78 -0.02 -0.03 0.00 -0.99 -1.44 107.32 107.73 1wdk s GLY 19 Ca 0.51 -1.29 -0.30 0.00 0.00 0.00 0.00 44.72 43.63 1wdk s GLY 19 CO 0.22 -1.29 1.23 0.50 0.00 0.00 0.00 173.10 173.76 1wdk s ARG 20 N -2.68 4.36 0.36 2.90 0.52 -1.26 -1.59 118.95 121.56 1wdk s ARG 20 Ca 0.26 1.75 0.06 0.00 -0.52 0.00 0.00 55.73 57.28 1wdk s ARG 20 Cb -0.10 -3.51 0.67 0.00 0.52 0.00 0.00 34.95 32.53 1wdk s ARG 20 CO 0.18 -0.42 1.89 0.77 0.02 0.00 0.00 175.30 177.74 1wdk h SER 21 N 7.36 0.41 -1.61 0.23 0.02 -1.82 0.19 113.55 118.33 1wdk h SER 21 Ca -0.37 -0.08 -0.67 0.00 -0.84 0.00 0.00 61.79 59.84 1wdk h SER 21 Cb 1.18 -0.11 -0.13 0.00 0.14 0.00 0.00 62.40 63.48 1wdk h SER 21 CO 0.87 0.50 1.46 -0.75 -1.14 0.00 0.00 176.83 177.77 1wdk s LYS 22 N -4.91 3.80 -0.06 3.45 2.20 -1.26 -4.13 119.74 118.82 1wdk s LYS 22 Ca -0.07 -1.81 0.00 0.00 -0.36 0.00 0.00 55.97 53.73 1wdk s LYS 22 Cb 0.15 -5.22 0.00 0.00 -1.51 0.00 0.00 37.83 31.25 1wdk s LYS 22 CO 0.75 -2.01 0.00 0.41 -0.36 0.00 0.00 175.35 174.14 1wdk n GLY 23 N 5.57 0.47 0.86 5.54 0.00 -1.26 -5.04 105.19 111.34 1wdk n GLY 23 Ca 0.35 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1wdk n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wdk n GLY 24 N -2.58 -2.25 0.30 -0.02 0.00 0.68 -4.84 105.19 96.47 1wdk n GLY 24 Ca -0.01 -1.50 0.07 0.00 0.00 0.00 0.00 46.02 44.58 1wdk n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdk h MET 25 N 0.00 0.33 -0.19 1.61 -0.00 -1.74 -2.48 114.93 112.46 1wdk h MET 25 Ca -0.10 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.58 1wdk h MET 25 Cb 0.30 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 1wdk h MET 25 CO 0.07 0.22 0.00 0.72 -0.00 0.00 0.00 176.91 177.92 1wdk n HIS 26 N -4.49 0.24 -0.14 -0.10 8.25 -1.26 -2.18 115.22 115.53 1wdk n HIS 26 Ca 0.03 -0.12 0.28 0.00 -0.26 0.00 0.00 57.72 57.65 1wdk n HIS 26 Cb 0.14 0.00 0.67 0.00 1.12 0.00 0.00 29.99 31.92 1wdk n HIS 26 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1wdk h ARG 27 N 2.92 0.00 -0.22 -0.41 0.11 -1.74 0.17 114.38 115.21 1wdk h ARG 27 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1wdk h ARG 27 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 1wdk h ARG 27 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 1wdk n ASN 28 N -3.74 3.65 -4.18 0.08 3.02 -1.26 -4.96 115.26 107.87 1wdk n ASN 28 Ca 0.18 -3.01 -0.32 0.00 -0.03 0.00 0.00 54.58 51.40 1wdk n ASN 28 Cb 1.09 -0.52 -0.16 0.00 -0.61 0.00 0.00 39.78 39.57 1wdk n ASN 28 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wdk s THR 29 N -2.80 2.09 0.73 3.41 2.01 0.60 -5.12 115.64 116.56 1wdk s THR 29 Ca 0.40 -0.97 -0.13 0.00 0.31 0.00 0.00 61.69 61.30 1wdk s THR 29 Cb 0.33 -1.83 0.04 0.00 0.01 0.00 0.00 72.50 71.04 1wdk s THR 29 CO 0.08 0.55 1.12 -0.13 -0.69 0.00 0.00 174.62 175.55 1wdk s ARG 30 N 0.77 2.41 0.19 4.92 0.52 -1.26 -4.87 118.95 121.63 1wdk s ARG 30 Ca -0.08 1.36 -0.10 0.00 -0.52 0.00 0.00 55.73 56.39 1wdk s ARG 30 Cb -0.16 -1.90 0.11 0.00 0.52 0.00 0.00 34.95 33.52 1wdk s ARG 30 CO -0.01 -1.55 1.74 0.00 0.02 0.00 0.00 175.30 175.50 1wdk h ALA 31 N -0.56 0.88 -0.20 2.13 0.00 -1.96 -0.82 119.26 118.72 1wdk h ALA 31 Ca -0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 1wdk h ALA 31 Cb 1.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1wdk h ALA 31 CO 0.52 0.51 0.04 0.93 0.00 0.00 0.00 179.25 181.25 1wdk h GLU 32 N 0.96 0.32 -0.65 0.00 3.07 -1.93 -1.23 114.58 115.12 1wdk h GLU 32 Ca 0.22 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.36 58.95 1wdk h GLU 32 Cb 0.22 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 1wdk h GLU 32 CO -0.02 0.45 0.19 -0.44 -1.40 0.00 0.00 179.01 177.79 1wdk h ASP 33 N 0.13 0.96 -0.78 1.42 3.32 -1.92 0.90 116.42 120.45 1wdk h ASP 33 Ca 0.06 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1wdk h ASP 33 Cb 0.28 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1wdk h ASP 33 CO 0.00 0.93 0.42 -0.03 -1.72 0.00 0.00 179.24 178.84 1wdk h MET 34 N 0.95 1.10 -0.15 3.56 4.05 -1.08 0.17 114.93 123.52 1wdk h MET 34 Ca 0.21 -0.13 -0.10 0.00 -0.28 0.00 0.00 59.70 59.40 1wdk h MET 34 Cb 0.32 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 1wdk h MET 34 CO -0.00 0.81 -0.29 0.77 0.23 0.00 0.00 176.91 178.43 1wdk h SER 35 N 1.10 0.50 0.37 1.39 0.02 -0.71 -2.87 113.55 113.35 1wdk h SER 35 Ca 0.28 -0.55 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 1wdk h SER 35 Cb 0.04 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1wdk h SER 35 CO -0.04 0.96 -0.18 0.00 -1.14 0.00 0.00 176.83 176.43 1wdk h ALA 36 N 0.56 -0.50 -0.67 3.77 0.00 -0.59 -1.64 119.26 120.18 1wdk h ALA 36 Ca 0.01 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.92 1wdk h ALA 36 Cb 0.88 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 1wdk h ALA 36 CO 0.06 -0.74 0.15 1.25 0.00 0.00 0.00 179.25 179.97 1wdk h HIS 37 N -0.58 0.23 -0.00 0.00 6.17 -1.06 0.17 115.15 120.09 1wdk h HIS 37 Ca -0.05 0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.07 1wdk h HIS 37 Cb 0.43 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.36 1wdk h HIS 37 CO -0.03 -0.06 0.00 1.25 0.71 0.00 0.00 177.93 179.80 1wdk h LEU 38 N 0.26 0.00 -0.58 0.26 5.85 -1.38 -1.30 115.31 118.43 1wdk h LEU 38 Ca 0.37 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.03 1wdk h LEU 38 Cb 0.59 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1wdk h LEU 38 CO -0.46 0.09 0.34 0.40 -0.34 0.00 0.00 178.44 178.47 1wdk h ILE 39 N -0.09 1.03 0.05 4.05 2.04 -0.58 -1.62 117.51 122.39 1wdk h ILE 39 Ca 0.00 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1wdk h ILE 39 Cb 0.09 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1wdk h ILE 39 CO -0.00 0.12 -0.10 -1.28 0.00 0.00 0.00 178.15 176.89 1wdk h SER 40 N 0.66 -0.29 -0.62 1.72 0.87 -0.49 -1.57 113.55 113.84 1wdk h SER 40 Ca 0.24 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1wdk h SER 40 Cb 0.06 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1wdk h SER 40 CO -0.12 -0.16 0.37 0.11 -0.53 0.00 0.00 176.83 176.51 1wdk h LYS 41 N -0.21 0.84 -0.64 2.24 1.79 -0.98 -0.48 116.57 119.13 1wdk h LYS 41 Ca 0.02 -0.08 -0.06 0.00 -2.18 0.00 0.00 60.65 58.36 1wdk h LYS 41 Cb 0.22 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 1wdk h LYS 41 CO -0.06 0.60 0.16 0.28 -1.08 0.00 0.00 179.45 179.35 1wdk h VAL 42 N 0.83 1.25 -0.05 0.50 2.07 -1.18 -1.71 116.25 117.97 1wdk h VAL 42 Ca 0.22 -0.89 -0.11 0.00 0.82 0.00 0.00 66.70 66.74 1wdk h VAL 42 Cb -0.02 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1wdk h VAL 42 CO -0.04 0.34 -0.48 -0.07 0.02 0.00 0.00 177.57 177.34 1wdk h LEU 43 N 0.95 0.12 -1.05 2.57 3.38 -0.95 -2.93 115.31 117.41 1wdk h LEU 43 Ca 0.20 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1wdk h LEU 43 Cb 0.33 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1wdk h LEU 43 CO -0.00 0.59 -0.17 -0.33 0.09 0.00 0.00 178.44 178.62 1wdk h GLU 44 N 0.09 0.48 0.00 1.13 5.08 -0.23 -2.54 114.58 118.60 1wdk h GLU 44 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1wdk h GLU 44 Cb 0.89 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1wdk h GLU 44 CO 0.07 0.63 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 1wdk h ARG 45 N 0.44 0.00 -2.25 2.33 3.08 -1.19 -3.30 114.38 113.48 1wdk h ARG 45 Ca 0.08 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.53 1wdk h ARG 45 Cb 0.55 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.18 1wdk h ARG 45 CO 0.04 0.00 -0.63 0.09 -1.07 0.00 0.00 179.97 178.40 1wdk n ASN 46 N -2.30 4.19 0.20 7.04 3.02 -0.96 -4.91 115.26 121.54 1wdk n ASN 46 Ca 0.04 -3.59 0.18 0.00 -0.03 0.00 0.00 54.58 51.18 1wdk n ASN 46 Cb 0.34 -0.60 0.81 0.00 -0.61 0.00 0.00 39.78 39.71 1wdk n ASN 46 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1wdk h SER 47 N 3.44 0.00 1.33 6.41 4.64 -1.65 -1.13 113.55 126.59 1wdk h SER 47 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1wdk h SER 47 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1wdk h SER 47 CO 0.82 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.89 1wdk h LYS 48 N 0.00 0.00 -5.40 4.77 1.57 -1.91 -3.41 116.57 112.19 1wdk h LYS 48 Ca 0.10 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.25 1wdk h LYS 48 Cb 0.77 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.94 1wdk h LYS 48 CO -0.00 0.00 0.07 0.14 -0.57 0.00 0.00 179.45 179.09 1wdk s VAL 49 N -3.31 4.95 -0.23 0.50 -7.23 -0.43 -5.03 120.40 109.63 1wdk s VAL 49 Ca 0.06 0.59 -0.29 0.00 -1.81 0.00 0.00 61.98 60.53 1wdk s VAL 49 Cb 0.09 -4.01 0.00 0.00 0.56 0.00 0.00 36.38 33.03 1wdk s VAL 49 CO 0.55 -0.22 1.13 -0.62 -0.31 0.00 0.00 175.10 175.64 1wdk s ASP 50 N 1.73 7.01 0.42 4.85 2.15 -1.26 -4.92 116.67 126.64 1wdk s ASP 50 Ca 0.23 1.42 0.20 0.00 0.43 0.00 0.00 52.55 54.83 1wdk s ASP 50 Cb -0.15 -2.54 1.15 0.00 -0.30 0.00 0.00 42.92 41.08 1wdk s ASP 50 CO 0.13 -0.75 1.79 -0.65 -0.17 0.00 0.00 175.17 175.53 1wdk h PRO 51 N 7.86 0.34 0.00 4.34 0.11 -1.95 0.20 132.00 142.91 1wdk h PRO 51 Ca -0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1wdk h PRO 51 Cb 1.08 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1wdk h PRO 51 CO 0.99 0.22 0.00 0.78 -0.21 0.00 0.00 178.00 179.78 1wdk h GLY 52 N 0.35 0.00 1.16 -0.55 0.00 -1.91 -1.58 103.07 100.53 1wdk h GLY 52 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1wdk h GLY 52 CO -0.24 0.00 -0.23 1.18 0.00 0.00 0.00 176.54 177.25 1wdk n GLU 53 N -2.77 0.29 -1.97 4.80 1.02 0.70 -4.82 120.64 117.90 1wdk n GLU 53 Ca -0.01 -0.12 -0.43 0.00 -0.02 0.00 0.00 57.16 56.58 1wdk n GLU 53 Cb 0.12 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 1wdk n GLU 53 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wdk s VAL 54 N -2.79 3.45 0.10 2.62 1.01 -0.60 -4.17 120.40 120.03 1wdk s VAL 54 Ca 0.19 0.47 -0.14 0.00 0.00 0.00 0.00 61.98 62.50 1wdk s VAL 54 Cb 0.19 -3.57 -0.11 0.00 0.00 0.00 0.00 36.38 32.88 1wdk s VAL 54 CO 0.57 -0.34 1.37 -0.33 0.00 0.00 0.00 175.10 176.36 1wdk h GLU 55 N 12.70 0.77 -2.75 2.72 4.39 -1.35 -3.41 114.58 127.65 1wdk h GLU 55 Ca -0.35 -0.50 -0.11 0.00 0.34 0.00 0.00 59.36 58.73 1wdk h GLU 55 Cb 1.17 0.07 -0.22 0.00 -0.10 0.00 0.00 28.75 29.67 1wdk h GLU 55 CO 1.02 1.13 -0.20 0.34 -1.16 0.00 0.00 179.01 180.14 1wdk s ASP 56 N -6.83 -0.38 -0.37 1.42 2.15 -1.26 -1.87 116.67 109.53 1wdk s ASP 56 Ca -0.11 0.60 -0.06 0.00 0.43 0.00 0.00 52.55 53.41 1wdk s ASP 56 Cb 0.09 0.66 0.07 0.00 -0.30 0.00 0.00 42.92 43.44 1wdk s ASP 56 CO 0.87 -0.28 0.16 -0.69 -0.17 0.00 0.00 175.17 175.05 1wdk s VAL 57 N -0.39 3.67 -0.36 1.11 1.01 -0.19 -2.30 120.40 122.95 1wdk s VAL 57 Ca -0.05 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 60.34 1wdk s VAL 57 Cb -0.03 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1wdk s VAL 57 CO 0.03 -0.39 0.20 -0.63 0.00 0.00 0.00 175.10 174.31 1wdk s ILE 58 N 1.32 4.66 -0.07 2.22 1.01 -0.19 -1.54 121.20 128.61 1wdk s ILE 58 Ca 0.01 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1wdk s ILE 58 Cb -0.21 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1wdk s ILE 58 CO 0.00 -0.16 -0.14 0.86 0.00 0.00 0.00 174.94 175.50 1wdk s TRP 59 N 1.58 2.72 -0.09 3.97 -0.00 -0.46 -2.39 118.94 124.28 1wdk s TRP 59 Ca 0.03 -0.28 -0.13 0.00 -0.00 0.00 0.00 56.10 55.72 1wdk s TRP 59 Cb -0.19 -1.68 -0.05 0.00 -0.00 0.00 0.00 33.47 31.56 1wdk s TRP 59 CO 0.07 0.09 0.32 0.20 -0.00 0.00 0.00 176.95 177.63 1wdk s GLY 60 N -0.46 2.32 -0.28 5.86 0.00 0.64 -0.11 107.32 115.29 1wdk s GLY 60 Ca 0.06 -0.38 -0.22 0.00 0.00 0.00 0.00 44.72 44.18 1wdk s GLY 60 CO 0.02 0.20 0.79 0.00 0.00 0.00 0.00 173.10 174.10 1wdk n VAL 62 N 3.13 0.00 -2.45 0.00 0.31 -1.26 -4.37 118.33 113.69 1wdk n VAL 62 Ca -0.16 0.48 -0.39 0.00 -0.01 0.00 0.00 64.34 64.27 1wdk n VAL 62 Cb 0.56 -1.46 -0.02 0.00 -0.91 0.00 0.00 33.84 32.01 1wdk n VAL 62 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1wdk s ASN 63 N -3.46 6.33 -1.29 4.52 3.84 -1.26 -4.89 114.94 118.73 1wdk s ASN 63 Ca 0.00 -1.94 -0.14 0.00 0.21 0.00 0.00 52.86 50.99 1wdk s ASN 63 Cb 0.00 -2.58 0.13 0.00 -0.55 0.00 0.00 41.25 38.25 1wdk s ASN 63 CO 0.00 -1.69 1.74 0.00 -2.79 0.00 0.00 177.10 174.36 1wdk n GLN 64 N 8.53 3.32 -3.91 0.43 6.02 -1.26 -4.61 117.38 125.90 1wdk n GLN 64 Ca 0.44 -3.45 -0.09 0.00 -0.01 0.00 0.00 57.00 53.88 1wdk n GLN 64 Cb 0.47 -3.15 -0.07 0.00 1.02 0.00 0.00 30.24 28.52 1wdk n GLN 64 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1wdk s THR 65 N 2.09 0.08 0.00 5.09 -1.32 -1.25 -4.16 115.64 116.17 1wdk s THR 65 Ca 0.45 -1.28 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 1wdk s THR 65 Cb 0.05 -1.71 0.00 0.00 -1.51 0.00 0.00 72.50 69.33 1wdk s THR 65 CO 0.01 -0.35 0.00 0.18 -2.21 0.00 0.00 174.62 172.25 1wdk n LEU 66 N -0.20 0.00 -0.03 9.08 4.77 -1.26 -1.29 117.00 128.07 1wdk n LEU 66 Ca -0.09 0.00 0.24 0.00 -0.03 0.00 0.00 56.01 56.13 1wdk n LEU 66 Cb 0.63 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.43 1wdk n LEU 66 CO 0.23 0.00 1.22 -0.33 -1.33 0.00 0.00 177.39 177.18 1wdk h GLU 67 N 0.00 0.00 -0.35 3.23 5.08 -1.94 -1.27 114.58 119.34 1wdk h GLU 67 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wdk h GLU 67 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wdk h GLU 67 CO 0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1wdk n GLN 68 N -3.87 2.29 -2.53 2.33 6.02 -0.41 -4.35 117.38 116.87 1wdk n GLN 68 Ca 0.13 -2.10 -0.23 0.00 -0.01 0.00 0.00 57.00 54.79 1wdk n GLN 68 Cb 0.82 -1.42 0.06 0.00 1.02 0.00 0.00 30.24 30.72 1wdk n GLN 68 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1wdk s GLY 69 N -1.26 1.78 -1.22 1.08 0.00 -0.48 -3.94 107.32 103.28 1wdk s GLY 69 Ca 0.32 -1.34 -0.02 0.00 0.00 0.00 0.00 44.72 43.68 1wdk s GLY 69 CO 0.26 -0.96 1.03 0.79 0.00 0.00 0.00 173.10 174.22 1wdk n TRP 70 N -2.60 -2.32 -2.89 1.90 7.02 -1.26 -3.95 117.44 113.35 1wdk n TRP 70 Ca 0.10 0.94 -0.02 0.00 -1.02 0.00 0.00 57.50 57.50 1wdk n TRP 70 Cb 0.60 -5.02 0.01 0.00 -2.42 0.00 0.00 31.31 24.47 1wdk n TRP 70 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1wdk n ASN 71 N -3.06 -6.97 0.21 -0.99 5.15 -1.26 -4.78 115.26 103.57 1wdk n ASN 71 Ca -0.21 -0.13 0.18 0.00 -0.60 0.00 0.00 54.58 53.81 1wdk n ASN 71 Cb 0.64 -4.77 0.85 0.00 -0.53 0.00 0.00 39.78 35.97 1wdk n ASN 71 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1wdk h ILE 72 N 0.24 0.39 -0.74 -1.44 2.10 -1.75 -0.93 117.51 115.38 1wdk h ILE 72 Ca -0.07 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.88 1wdk h ILE 72 Cb 1.03 0.82 -0.04 0.00 -1.09 0.00 0.00 36.82 37.54 1wdk h ILE 72 CO 0.28 0.00 0.47 0.00 -1.08 0.00 0.00 178.15 177.82 1wdk h ALA 73 N 1.72 1.44 0.12 0.18 0.00 -1.89 0.19 119.26 121.01 1wdk h ALA 73 Ca 0.08 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 1wdk h ALA 73 Cb 0.53 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wdk h ALA 73 CO -0.00 0.50 -1.24 -0.09 0.00 0.00 0.00 179.25 178.42 1wdk h ARG 74 N 1.01 0.25 -0.43 0.00 9.65 -1.43 -2.63 114.38 120.80 1wdk h ARG 74 Ca 0.27 -0.42 -0.06 0.00 -1.10 0.00 0.00 59.98 58.67 1wdk h ARG 74 Cb -0.09 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 1wdk h ARG 74 CO -0.06 1.20 0.02 0.52 2.80 0.00 0.00 179.97 184.45 1wdk h MET 75 N 0.07 0.68 0.06 0.20 2.86 -1.18 -1.91 114.93 115.70 1wdk h MET 75 Ca -0.13 -0.16 -0.24 0.00 -2.06 0.00 0.00 59.70 57.11 1wdk h MET 75 Cb 1.96 -0.09 0.02 0.00 0.06 0.00 0.00 31.60 33.55 1wdk h MET 75 CO 0.20 0.68 -0.99 0.00 1.06 0.00 0.00 176.91 177.86 1wdk h ALA 76 N 1.38 0.04 -0.71 6.32 0.00 -1.04 -3.31 119.26 121.93 1wdk h ALA 76 Ca 0.13 -0.69 0.05 0.00 0.00 0.00 0.00 54.91 54.40 1wdk h ALA 76 Cb 0.38 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1wdk h ALA 76 CO 0.01 0.57 0.42 1.03 0.00 0.00 0.00 179.25 181.29 1wdk h SER 77 N 0.15 0.66 -0.02 0.00 0.87 -1.26 -2.15 113.55 111.80 1wdk h SER 77 Ca -0.14 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1wdk h SER 77 Cb 1.68 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.52 1wdk h SER 77 CO 0.19 0.44 0.08 -0.07 -0.53 0.00 0.00 176.83 176.94 1wdk h LEU 78 N 0.80 0.00 -3.63 2.23 3.38 -1.44 -0.86 115.31 115.79 1wdk h LEU 78 Ca 0.30 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.04 1wdk h LEU 78 Cb 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.73 1wdk h LEU 78 CO -0.15 0.00 0.23 0.23 0.09 0.00 0.00 178.44 178.84 1wdk n MET 79 N -3.23 2.85 -4.68 1.13 2.81 -0.81 -4.95 117.12 110.24 1wdk n MET 79 Ca -0.02 -3.06 -0.30 0.00 -1.81 0.00 0.00 57.70 52.50 1wdk n MET 79 Cb 0.15 -2.06 -0.09 0.00 -0.71 0.00 0.00 33.22 30.52 1wdk n MET 79 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1wdk s THR 80 N -3.10 1.34 -1.82 2.03 2.01 -0.33 -4.83 115.64 110.94 1wdk s THR 80 Ca 0.51 -2.00 0.27 0.00 0.31 0.00 0.00 61.69 60.78 1wdk s THR 80 Cb 0.43 -2.45 0.69 0.00 0.01 0.00 0.00 72.50 71.17 1wdk s THR 80 CO 0.09 0.00 1.97 0.00 -0.69 0.00 0.00 174.62 175.99 1wdk n GLN 81 N -1.11 0.71 -2.16 4.92 0.00 -1.26 -4.74 117.38 113.74 1wdk n GLN 81 Ca -0.13 0.01 -0.42 0.00 0.00 0.00 0.00 57.00 56.46 1wdk n GLN 81 Cb 0.67 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.38 1wdk n GLN 81 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1wdk s ILE 82 N -2.18 3.49 0.91 -0.39 -1.09 -1.26 -4.74 121.20 115.93 1wdk s ILE 82 Ca 0.36 0.95 -0.11 0.00 -2.23 0.00 0.00 60.65 59.62 1wdk s ILE 82 Cb 0.19 -3.61 0.14 0.00 -1.58 0.00 0.00 42.46 37.60 1wdk s ILE 82 CO 0.35 0.02 1.11 -2.84 -1.23 0.00 0.00 174.94 172.35 1wdk s PRO 83 N 2.10 1.09 0.47 2.79 0.02 -1.26 -4.74 135.00 135.46 1wdk s PRO 83 Ca 0.66 1.29 0.32 0.00 0.02 0.00 0.00 61.00 63.29 1wdk s PRO 83 Cb -0.34 -1.75 1.39 0.00 0.02 0.00 0.00 34.50 33.81 1wdk s PRO 83 CO 0.28 -2.50 1.94 0.45 -0.33 0.00 0.00 177.00 176.84 1wdk h HIS 84 N -1.76 0.00 0.00 6.54 3.86 -1.95 -2.71 115.15 119.13 1wdk h HIS 84 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 1wdk h HIS 84 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1wdk h HIS 84 CO 0.48 0.00 0.00 1.79 0.86 0.00 0.00 177.93 181.06 1wdk h THR 85 N 0.00 0.00 -4.03 2.45 1.35 -1.97 -3.44 112.91 107.27 1wdk h THR 85 Ca 0.00 -0.37 -0.50 0.00 -0.55 0.00 0.00 66.41 64.99 1wdk h THR 85 Cb 0.37 1.21 0.05 0.00 -1.73 0.00 0.00 68.15 68.04 1wdk h THR 85 CO 0.00 0.00 0.29 -0.44 -0.25 0.00 0.00 175.52 175.12 1wdk s SER 86 N -4.72 6.27 0.47 5.36 0.01 -1.03 -5.05 113.70 115.01 1wdk s SER 86 Ca 0.04 1.23 0.08 0.00 1.31 0.00 0.00 55.95 58.61 1wdk s SER 86 Cb 0.09 -2.38 0.02 0.00 0.21 0.00 0.00 66.02 63.96 1wdk s SER 86 CO 0.47 -0.73 0.52 0.00 0.41 0.00 0.00 173.24 173.90 1wdk s ALA 87 N -2.97 4.38 -0.28 1.44 0.00 -0.78 -5.00 121.76 118.55 1wdk s ALA 87 Ca 0.52 -1.79 -0.24 0.00 0.00 0.00 0.00 51.96 50.44 1wdk s ALA 87 Cb -0.11 -1.23 0.10 0.00 0.00 0.00 0.00 23.12 21.88 1wdk s ALA 87 CO 0.49 -0.40 0.86 0.00 0.00 0.00 0.00 175.76 176.71 1wdk s ALA 88 N -2.52 -1.88 0.02 0.00 0.00 -1.26 -1.03 121.76 115.08 1wdk s ALA 88 Ca 0.51 1.99 -0.01 0.00 0.00 0.00 0.00 51.96 54.44 1wdk s ALA 88 Cb -0.05 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 1wdk s ALA 88 CO 0.31 -0.30 0.00 1.14 0.00 0.00 0.00 175.76 176.91 1wdk s GLN 89 N 0.40 0.34 -0.15 0.00 -2.07 -0.59 -4.61 119.66 112.98 1wdk s GLN 89 Ca 0.01 -0.57 -0.04 0.00 -1.82 0.00 0.00 55.36 52.94 1wdk s GLN 89 Cb -0.05 0.13 -0.03 0.00 -1.09 0.00 0.00 33.01 31.97 1wdk s GLN 89 CO -0.04 -0.06 -0.03 0.99 -1.32 0.00 0.00 175.29 174.83 1wdk s THR 90 N -1.44 4.00 -0.06 3.63 2.01 -1.26 -1.35 115.64 121.16 1wdk s THR 90 Ca -0.16 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1wdk s THR 90 Cb -0.09 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 1wdk s THR 90 CO -0.00 0.50 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.65 1wdk s VAL 91 N 0.21 3.51 -0.10 3.82 1.01 0.84 -4.95 120.40 124.73 1wdk s VAL 91 Ca -0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1wdk s VAL 91 Cb -0.14 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.85 1wdk s VAL 91 CO 0.03 0.59 -0.03 -0.55 0.00 0.00 0.00 175.10 175.14 1wdk s SER 92 N -0.75 1.91 -0.31 3.32 0.15 -1.26 -2.08 113.70 114.69 1wdk s SER 92 Ca 0.11 -0.21 0.18 0.00 0.70 0.00 0.00 55.95 56.74 1wdk s SER 92 Cb -0.11 -0.63 0.47 0.00 -1.71 0.00 0.00 66.02 64.03 1wdk s SER 92 CO 0.01 -0.16 1.16 -1.14 1.20 0.00 0.00 173.24 174.31 1wdk n ARG 93 N 5.05 1.43 0.00 5.44 0.63 -1.26 -4.93 116.66 123.02 1wdk n ARG 93 Ca -0.10 -2.88 0.00 0.00 -0.92 0.00 0.00 57.85 53.95 1wdk n ARG 93 Cb 0.50 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.40 1wdk n ARG 93 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1wdk n LEU 94 N -0.58 0.00 -0.24 6.15 4.77 -1.26 -1.33 117.00 124.51 1wdk n LEU 94 Ca 0.03 0.00 0.25 0.00 -0.03 0.00 0.00 56.01 56.26 1wdk n LEU 94 Cb 0.82 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.54 1wdk n LEU 94 CO 0.08 0.00 1.25 0.00 -1.33 0.00 0.00 177.39 177.39 1wdk n GLY 96 N -1.62 1.01 0.37 0.00 0.00 -0.45 -3.87 105.19 100.64 1wdk n GLY 96 Ca 0.21 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 1wdk n GLY 96 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wdk h SER 97 N 2.81 -1.34 -0.61 1.61 0.02 -1.27 0.19 113.55 114.96 1wdk h SER 97 Ca 0.00 0.29 0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1wdk h SER 97 Cb 0.63 0.71 -0.03 0.00 0.14 0.00 0.00 62.40 63.85 1wdk h SER 97 CO 0.00 -0.29 0.40 0.28 -1.14 0.00 0.00 176.83 176.08 1wdk h SER 98 N -0.04 0.66 0.19 3.07 0.02 -1.79 -0.65 113.55 115.02 1wdk h SER 98 Ca 0.32 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 61.07 1wdk h SER 98 Cb 0.59 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1wdk h SER 98 CO -0.92 0.47 -0.74 -0.03 -1.14 0.00 0.00 176.83 174.47 1wdk h MET 99 N 0.78 0.47 -0.71 3.45 -1.53 -1.21 -2.66 114.93 113.51 1wdk h MET 99 Ca 0.23 -0.39 -0.07 0.00 -3.44 0.00 0.00 59.70 56.04 1wdk h MET 99 Cb -0.02 0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.08 1wdk h MET 99 CO -0.06 1.02 0.19 0.77 0.14 0.00 0.00 176.91 178.97 1wdk h SER 100 N 0.32 1.06 -0.40 1.39 0.02 -0.68 -1.18 113.55 114.09 1wdk h SER 100 Ca -0.04 -0.22 0.08 0.00 -0.84 0.00 0.00 61.79 60.78 1wdk h SER 100 Cb 1.33 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 63.52 1wdk h SER 100 CO 0.13 1.01 -0.04 0.00 -1.14 0.00 0.00 176.83 176.78 1wdk h ALA 101 N 1.13 0.32 -0.59 3.77 0.00 -0.96 0.13 119.26 123.06 1wdk h ALA 101 Ca 0.23 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1wdk h ALA 101 Cb 0.35 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1wdk h ALA 101 CO -0.00 -0.42 0.37 1.25 0.00 0.00 0.00 179.25 180.45 1wdk h LEU 102 N 0.06 0.69 -0.79 0.00 5.85 -1.10 -2.26 115.31 117.76 1wdk h LEU 102 Ca 0.19 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1wdk h LEU 102 Cb 0.29 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1wdk h LEU 102 CO -0.36 0.53 0.42 0.45 -0.34 0.00 0.00 178.44 179.13 1wdk h HIS 103 N 0.79 1.10 -0.41 1.25 3.86 -0.05 -0.10 115.15 121.59 1wdk h HIS 103 Ca 0.21 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1wdk h HIS 103 Cb -0.05 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.05 1wdk h HIS 103 CO -0.03 0.78 0.09 1.15 0.86 0.00 0.00 177.93 180.78 1wdk h THR 104 N 1.10 1.23 -0.39 2.45 2.02 -0.50 -0.08 112.91 118.75 1wdk h THR 104 Ca 0.28 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 1wdk h THR 104 Cb 0.06 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1wdk h THR 104 CO -0.04 0.29 0.13 0.00 0.37 0.00 0.00 175.52 176.27 1wdk h ALA 105 N 0.95 0.51 -0.11 6.16 0.00 -1.21 -0.59 119.26 124.97 1wdk h ALA 105 Ca 0.13 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1wdk h ALA 105 Cb 0.33 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1wdk h ALA 105 CO 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 179.25 179.27 1wdk h ALA 106 N 0.98 -0.06 0.00 0.00 0.00 -0.80 0.60 119.26 119.97 1wdk h ALA 106 Ca 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1wdk h ALA 106 Cb 0.24 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1wdk h ALA 106 CO -0.01 -0.59 -0.14 1.96 0.00 0.00 0.00 179.25 180.48 1wdk h GLN 107 N -0.17 0.00 -0.23 0.00 4.20 -0.85 -0.49 115.11 117.58 1wdk h GLN 107 Ca 0.08 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1wdk h GLN 107 Cb 0.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1wdk h GLN 107 CO -0.21 0.14 -0.09 0.00 -0.67 0.00 0.00 178.83 178.01 1wdk h ALA 108 N 1.86 0.31 -0.53 3.87 0.00 0.19 -2.73 119.26 122.25 1wdk h ALA 108 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1wdk h ALA 108 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1wdk h ALA 108 CO 0.02 0.14 0.27 0.82 0.00 0.00 0.00 179.25 180.49 1wdk h ILE 109 N 0.17 1.19 -0.26 0.00 2.04 -0.15 -1.02 117.51 119.49 1wdk h ILE 109 Ca 0.05 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1wdk h ILE 109 Cb 0.57 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1wdk h ILE 109 CO 0.03 0.21 0.09 0.24 0.00 0.00 0.00 178.15 178.73 1wdk h MET 110 N 0.71 0.36 -0.35 2.37 2.86 -1.07 -2.73 114.93 117.08 1wdk h MET 110 Ca 0.18 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1wdk h MET 110 Cb 0.10 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1wdk h MET 110 CO -0.03 0.31 0.00 0.25 1.06 0.00 0.00 176.91 178.50 1wdk n THR 111 N -4.42 0.45 -2.49 2.22 -2.24 -1.03 -4.93 114.28 101.83 1wdk n THR 111 Ca 0.01 -0.60 -0.06 0.00 -2.27 0.00 0.00 64.05 61.13 1wdk n THR 111 Cb 0.13 0.60 0.01 0.00 -2.10 0.00 0.00 70.33 68.98 1wdk n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wdk n GLY 112 N 1.33 0.36 2.34 3.38 0.00 -1.03 -4.97 105.19 106.60 1wdk n GLY 112 Ca 0.18 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 1wdk n GLY 112 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wdk n ASN 113 N 0.54 5.21 0.00 1.61 3.02 -0.41 -5.00 115.26 120.23 1wdk n ASN 113 Ca -0.03 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 1wdk n ASN 113 Cb 0.53 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1wdk n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wdk n GLY 114 N -0.60 4.31 0.02 7.41 0.00 -1.26 -4.75 105.19 110.32 1wdk n GLY 114 Ca 0.44 -1.43 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 1wdk n GLY 114 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wdk n ASP 115 N 0.00 3.89 -4.03 1.61 8.00 -1.26 -4.28 116.55 120.47 1wdk n ASP 115 Ca 0.00 -0.01 -0.25 0.00 0.71 0.00 0.00 54.79 55.24 1wdk n ASP 115 Cb 0.00 0.45 -0.17 0.00 -0.02 0.00 0.00 41.12 41.38 1wdk n ASP 115 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wdk s VAL 116 N -2.10 1.19 0.09 2.53 1.01 -1.26 -1.63 120.40 120.23 1wdk s VAL 116 Ca -0.03 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1wdk s VAL 116 Cb 0.01 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1wdk s VAL 116 CO 0.16 0.37 -0.08 -0.36 0.00 0.00 0.00 175.10 175.19 1wdk s PHE 117 N 0.68 0.93 -0.15 5.22 0.40 0.13 -0.92 117.98 124.27 1wdk s PHE 117 Ca -0.14 -0.79 0.02 0.00 -0.60 0.00 0.00 56.93 55.41 1wdk s PHE 117 Cb -0.16 -0.52 0.02 0.00 0.51 0.00 0.00 43.02 42.86 1wdk s PHE 117 CO 0.04 -0.09 -0.19 0.08 0.70 0.00 0.00 175.22 175.76 1wdk s VAL 118 N -3.05 1.89 0.31 -0.44 1.01 -0.97 -0.69 120.40 118.46 1wdk s VAL 118 Ca 0.08 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1wdk s VAL 118 Cb 0.01 -1.70 -0.06 0.00 0.00 0.00 0.00 36.38 34.63 1wdk s VAL 118 CO -0.03 0.51 -0.02 0.68 0.00 0.00 0.00 175.10 176.25 1wdk s VAL 119 N 1.08 1.59 -5.00 2.92 -7.23 -0.13 -1.02 120.40 112.62 1wdk s VAL 119 Ca -0.02 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1wdk s VAL 119 Cb -0.14 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1wdk s VAL 119 CO -0.06 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 1wdk n GLY 120 N -0.68 -0.24 3.83 2.32 0.00 -1.01 0.37 105.19 109.79 1wdk n GLY 120 Ca -0.04 -1.24 0.01 0.00 0.00 0.00 0.00 46.02 44.74 1wdk n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wdk s GLY 121 N 0.00 -0.19 0.14 -0.02 0.00 -0.69 -0.26 107.32 106.30 1wdk s GLY 121 Ca 0.00 0.20 -0.23 0.00 0.00 0.00 0.00 44.72 44.69 1wdk s GLY 121 CO 0.00 2.79 0.59 0.54 0.00 0.00 0.00 173.10 177.02 1wdk s VAL 122 N -2.27 0.01 -0.30 1.40 0.11 0.02 -1.16 120.40 118.21 1wdk s VAL 122 Ca 0.22 -0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.10 1wdk s VAL 122 Cb 0.01 -1.01 0.14 0.00 -1.53 0.00 0.00 36.38 33.98 1wdk s VAL 122 CO -0.01 -0.03 0.72 -0.70 -3.33 0.00 0.00 175.10 171.75 1wdk s GLU 123 N -3.54 0.53 -0.71 1.54 2.56 -0.86 -3.69 118.70 114.52 1wdk s GLU 123 Ca 0.00 1.32 -0.02 0.00 0.00 0.00 0.00 54.97 56.27 1wdk s GLU 123 Cb -0.01 0.78 0.18 0.00 2.00 0.00 0.00 34.13 37.08 1wdk s GLU 123 CO -0.11 -0.18 0.55 -1.58 -0.56 0.00 0.00 175.26 173.38 1wdk s HIS 124 N 2.79 3.55 -0.50 5.30 5.65 -1.26 -1.92 115.29 128.90 1wdk s HIS 124 Ca -0.05 -2.87 0.22 0.00 0.25 0.00 0.00 55.06 52.60 1wdk s HIS 124 Cb -0.11 -3.17 0.95 0.00 -1.18 0.00 0.00 32.58 29.08 1wdk s HIS 124 CO -0.19 -0.78 1.66 -1.33 -0.65 0.00 0.00 174.74 173.45 1wdk n MET 125 N 3.00 0.16 -0.06 2.88 0.00 -1.21 -1.02 117.12 120.87 1wdk n MET 125 Ca 0.13 0.44 -0.15 0.00 0.00 0.00 0.00 57.70 58.12 1wdk n MET 125 Cb 0.37 -1.84 -0.06 0.00 0.00 0.00 0.00 33.22 31.69 1wdk n MET 125 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1wdk h GLY 126 N 1.86 0.78 1.28 3.03 0.00 -1.83 -2.92 103.07 105.28 1wdk h GLY 126 Ca 0.00 -0.96 -0.21 0.00 0.00 0.00 0.00 47.33 46.16 1wdk h GLY 126 CO 0.00 0.86 -1.35 0.45 0.00 0.00 0.00 176.54 176.50 1wdk h HIS 127 N 0.43 0.00 -2.61 5.60 3.86 -1.78 -3.41 115.15 117.23 1wdk h HIS 127 Ca -0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 1wdk h HIS 127 Cb 1.11 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 29.19 1wdk h HIS 127 CO 0.09 0.80 -0.85 0.08 0.86 0.00 0.00 177.93 178.91 1wdk s VAL 128 N -2.77 0.92 0.63 2.45 1.01 -0.19 -4.97 120.40 117.48 1wdk s VAL 128 Ca -0.02 -2.80 -0.18 0.00 0.00 0.00 0.00 61.98 58.98 1wdk s VAL 128 Cb 0.08 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1wdk s VAL 128 CO 0.81 -1.11 1.01 -1.54 0.00 0.00 0.00 175.10 174.27 1wdk n SER 129 N 2.95 0.93 0.19 3.32 3.41 -1.10 -4.26 113.62 119.06 1wdk n SER 129 Ca 0.23 0.79 0.18 0.00 -0.26 0.00 0.00 58.87 59.80 1wdk n SER 129 Cb 0.42 -1.42 0.82 0.00 -0.26 0.00 0.00 64.21 63.77 1wdk n SER 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wdk h MET 130 N 0.38 0.00 -0.56 4.33 3.00 -1.96 0.60 114.93 120.72 1wdk h MET 130 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.21 1wdk h MET 130 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.96 1wdk h MET 130 CO 0.51 0.00 0.00 -1.33 0.00 0.00 0.00 176.91 176.09 1wdk n MET 131 N -3.75 2.71 -2.17 -0.10 2.81 -1.26 -4.92 117.12 110.45 1wdk n MET 131 Ca 0.03 -2.39 -0.41 0.00 -1.81 0.00 0.00 57.70 53.11 1wdk n MET 131 Cb 0.38 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.41 1wdk n MET 131 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1wdk s HIS 132 N -1.04 3.20 -1.97 2.03 5.04 0.20 -3.10 115.29 119.66 1wdk s HIS 132 Ca 0.39 1.15 0.00 0.00 -1.54 0.00 0.00 55.06 55.06 1wdk s HIS 132 Cb 0.20 -3.66 0.00 0.00 0.04 0.00 0.00 32.58 29.17 1wdk s HIS 132 CO 0.27 -2.10 0.00 0.41 -2.34 0.00 0.00 174.74 170.98 1wdk n GLY 133 N 2.43 0.56 3.68 1.59 0.00 -1.26 -4.96 105.19 107.24 1wdk n GLY 133 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1wdk n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wdk s VAL 134 N -2.92 5.07 -0.41 1.61 1.01 -1.18 -5.02 120.40 118.56 1wdk s VAL 134 Ca 0.00 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.18 1wdk s VAL 134 Cb 0.00 -3.93 0.12 0.00 0.00 0.00 0.00 36.38 32.57 1wdk s VAL 134 CO 0.00 0.19 0.17 -0.62 0.00 0.00 0.00 175.10 174.84 1wdk s ASP 135 N 0.99 4.10 0.31 3.32 -1.08 -1.26 -5.11 116.67 117.94 1wdk s ASP 135 Ca 0.30 -2.40 -0.29 0.00 -0.52 0.00 0.00 52.55 49.64 1wdk s ASP 135 Cb -0.16 -1.25 -0.13 0.00 -1.46 0.00 0.00 42.92 39.93 1wdk s ASP 135 CO 0.12 -0.31 1.24 -2.65 0.52 0.00 0.00 175.17 174.09 1wdk n PRO 136 N 3.87 1.93 -3.12 4.34 -0.02 -1.26 -4.94 135.00 135.79 1wdk n PRO 136 Ca 0.05 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 1wdk n PRO 136 Cb 0.37 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.56 1wdk n PRO 136 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1wdk s ASN 137 N -0.27 6.42 0.27 2.55 2.47 -1.26 -4.95 114.94 120.18 1wdk s ASN 137 Ca 0.58 0.14 0.00 0.00 0.42 0.00 0.00 52.86 54.01 1wdk s ASN 137 Cb -0.62 -2.32 0.53 0.00 -1.45 0.00 0.00 41.25 37.40 1wdk s ASN 137 CO 0.60 -0.58 1.82 -0.65 -3.72 0.00 0.00 177.10 174.57 1wdk h PRO 138 N 8.45 0.90 0.00 0.43 0.11 -2.04 -1.46 132.00 138.38 1wdk h PRO 138 Ca -0.26 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 1wdk h PRO 138 Cb 1.11 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1wdk h PRO 138 CO 0.83 0.59 -0.02 0.45 -0.21 0.00 0.00 178.00 179.65 1wdk h HIS 139 N 0.92 0.00 -0.52 0.65 3.86 -2.02 -2.49 115.15 115.54 1wdk h HIS 139 Ca 0.48 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.68 1wdk h HIS 139 Cb 0.50 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 1wdk h HIS 139 CO -0.02 0.02 0.29 1.98 0.86 0.00 0.00 177.93 181.06 1wdk h MET 140 N 0.00 0.72 0.00 2.45 -1.53 -1.63 -2.08 114.93 112.85 1wdk h MET 140 Ca -0.00 -0.07 0.00 0.00 -3.44 0.00 0.00 59.70 56.19 1wdk h MET 140 Cb 0.12 -0.15 0.00 0.00 -0.55 0.00 0.00 31.60 31.02 1wdk h MET 140 CO 0.00 0.52 0.00 0.43 0.14 0.00 0.00 176.91 178.01 1wdk n SER 141 N -4.41 0.00 0.08 1.39 7.64 -0.94 -0.48 113.62 116.90 1wdk n SER 141 Ca 0.05 0.40 0.12 0.00 1.01 0.00 0.00 58.87 60.44 1wdk n SER 141 Cb 0.09 -0.40 0.18 0.00 -1.01 0.00 0.00 64.21 63.07 1wdk n SER 141 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1wdk h LEU 142 N 0.00 0.00 0.00 -3.43 5.85 -1.58 -3.39 115.31 112.77 1wdk h LEU 142 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1wdk h LEU 142 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1wdk h LEU 142 CO 0.00 0.07 -0.99 -1.22 -0.34 0.00 0.00 178.44 175.96 1wdk n TYR 143 N -2.28 0.00 -4.15 1.25 4.02 0.36 -5.10 117.16 111.26 1wdk n TYR 143 Ca 0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.78 1wdk n TYR 143 Cb 0.46 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.71 1wdk n TYR 143 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wdk s ALA 144 N -1.99 0.96 -0.02 -0.72 0.00 -0.38 -5.14 121.76 114.48 1wdk s ALA 144 Ca 0.00 -1.59 -0.23 0.00 0.00 0.00 0.00 51.96 50.14 1wdk s ALA 144 Cb 0.00 1.28 -0.05 0.00 0.00 0.00 0.00 23.12 24.35 1wdk s ALA 144 CO 0.00 -0.72 0.70 0.00 0.00 0.00 0.00 175.76 175.74 1wdk s ALA 145 N -3.58 3.38 0.31 0.00 0.00 -1.26 -3.94 121.76 116.67 1wdk s ALA 145 Ca 0.34 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.49 1wdk s ALA 145 Cb 0.02 -2.92 0.61 0.00 0.00 0.00 0.00 23.12 20.83 1wdk s ALA 145 CO 0.18 0.02 1.87 -0.22 0.00 0.00 0.00 175.76 177.61 1wdk h LYS 146 N 6.14 0.90 0.00 0.00 3.64 -1.91 -0.61 116.57 124.73 1wdk h LYS 146 Ca -0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1wdk h LYS 146 Cb 1.20 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1wdk h LYS 146 CO 0.73 0.60 0.01 0.00 -2.27 0.00 0.00 179.45 178.51 1wdk h ALA 147 N 1.54 1.01 0.00 5.00 0.00 -1.96 -1.16 119.26 123.69 1wdk h ALA 147 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1wdk h ALA 147 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1wdk h ALA 147 CO -0.20 -0.01 0.00 0.77 0.00 0.00 0.00 179.25 179.81 1wdk h SER 148 N 0.00 0.00 0.77 0.00 0.02 -1.45 -1.38 113.55 111.50 1wdk h SER 148 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wdk h SER 148 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1wdk h SER 148 CO 0.00 0.00 -0.10 0.61 -1.14 0.00 0.00 176.83 176.20 1wdk n GLY 149 N -0.48 -1.35 3.30 -3.77 0.00 -0.44 -4.53 105.19 97.92 1wdk n GLY 149 Ca -0.00 -0.17 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 1wdk n GLY 149 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wdk s MET 150 N -2.87 2.99 0.28 1.61 -1.94 -0.52 -4.96 119.30 113.89 1wdk s MET 150 Ca 0.18 -1.80 0.00 0.00 -1.71 0.00 0.00 55.69 52.36 1wdk s MET 150 Cb 0.19 -4.26 0.66 0.00 2.01 0.00 0.00 34.83 33.43 1wdk s MET 150 CO 0.54 -1.31 1.64 0.52 -0.01 0.00 0.00 175.02 176.40 1wdk h MET 151 N 8.70 0.17 -0.64 2.03 2.86 -1.83 -1.18 114.93 125.04 1wdk h MET 151 Ca -0.24 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1wdk h MET 151 Cb 1.09 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.63 1wdk h MET 151 CO 0.99 0.11 0.24 0.78 1.06 0.00 0.00 176.91 180.09 1wdk h GLY 152 N 0.18 0.92 2.00 8.32 0.00 -1.93 -1.34 103.07 111.21 1wdk h GLY 152 Ca 0.53 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.67 1wdk h GLY 152 CO -0.67 -0.03 -0.29 1.41 0.00 0.00 0.00 176.54 176.96 1wdk h LEU 153 N 0.42 0.00 -0.75 3.11 3.38 -1.51 -1.53 115.31 118.42 1wdk h LEU 153 Ca 0.33 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.17 1wdk h LEU 153 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1wdk h LEU 153 CO -0.33 0.29 -0.60 0.71 0.09 0.00 0.00 178.44 178.59 1wdk h THR 154 N 0.00 1.39 -0.21 0.22 1.35 -1.12 -1.41 112.91 113.13 1wdk h THR 154 Ca -0.00 -2.10 -0.11 0.00 -0.55 0.00 0.00 66.41 63.65 1wdk h THR 154 Cb 0.52 2.15 -0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1wdk h THR 154 CO 0.04 0.59 -0.30 0.00 -0.25 0.00 0.00 175.52 175.60 1wdk h ALA 155 N 1.40 0.32 -0.53 6.62 0.00 -0.57 -0.87 119.26 125.63 1wdk h ALA 155 Ca -0.01 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1wdk h ALA 155 Cb 1.10 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1wdk h ALA 155 CO 0.08 0.34 0.28 0.93 0.00 0.00 0.00 179.25 180.87 1wdk h GLU 156 N 0.25 0.52 -0.28 0.00 4.39 -1.10 0.14 114.58 118.49 1wdk h GLU 156 Ca 0.02 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 1wdk h GLU 156 Cb 0.88 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1wdk h GLU 156 CO 0.07 0.34 -0.09 1.98 -1.16 0.00 0.00 179.01 180.15 1wdk h MET 157 N 0.53 0.56 -0.78 2.33 4.05 -1.17 -1.26 114.93 119.19 1wdk h MET 157 Ca 0.23 -0.22 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 1wdk h MET 157 Cb 0.13 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.87 1wdk h MET 157 CO -0.16 0.78 0.33 1.25 0.23 0.00 0.00 176.91 179.33 1wdk h LEU 158 N 0.31 1.06 -0.03 3.39 6.46 -0.93 -1.91 115.31 123.65 1wdk h LEU 158 Ca 0.07 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1wdk h LEU 158 Cb 0.58 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1wdk h LEU 158 CO 0.03 0.93 0.01 1.23 -0.62 0.00 0.00 178.44 180.02 1wdk h GLY 159 N 1.15 0.06 0.89 3.75 0.00 -0.87 -1.84 103.07 106.22 1wdk h GLY 159 Ca 0.26 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.58 1wdk h GLY 159 CO -0.02 0.03 0.51 0.50 0.00 0.00 0.00 176.54 177.56 1wdk h LYS 160 N -0.17 0.97 0.00 4.80 1.79 -1.16 0.34 116.57 123.14 1wdk h LYS 160 Ca 0.01 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1wdk h LYS 160 Cb 0.24 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1wdk h LYS 160 CO 0.00 0.64 -0.14 0.52 -1.08 0.00 0.00 179.45 179.39 1wdk h MET 161 N 1.00 0.00 -0.39 3.15 2.86 -1.19 -2.27 114.93 118.08 1wdk h MET 161 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1wdk h MET 161 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1wdk h MET 161 CO -0.11 0.14 0.00 0.72 1.06 0.00 0.00 176.91 178.72 1wdk n HIS 162 N -4.18 0.52 -3.72 -0.22 8.25 -0.71 -4.99 115.22 110.18 1wdk n HIS 162 Ca -0.02 -0.48 -0.26 0.00 -0.26 0.00 0.00 57.72 56.70 1wdk n HIS 162 Cb 0.22 -0.02 0.06 0.00 1.12 0.00 0.00 29.99 31.36 1wdk n HIS 162 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wdk n GLY 163 N 0.70 -0.50 3.61 -1.41 0.00 0.10 -4.94 105.19 102.75 1wdk n GLY 163 Ca 0.13 0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 1wdk n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wdk s ILE 164 N -3.34 4.57 0.77 -0.61 1.09 -0.24 -5.01 121.20 118.43 1wdk s ILE 164 Ca 0.54 1.23 -0.11 0.00 -1.10 0.00 0.00 60.65 61.20 1wdk s ILE 164 Cb -0.25 -4.34 0.05 0.00 -1.06 0.00 0.00 42.46 36.85 1wdk s ILE 164 CO 0.77 -0.54 1.08 -0.94 -0.10 0.00 0.00 174.94 175.21 1wdk s SER 165 N 1.88 4.71 0.21 3.58 1.04 -1.26 -4.76 113.70 119.10 1wdk s SER 165 Ca 0.39 1.51 -0.10 0.00 0.48 0.00 0.00 55.95 58.23 1wdk s SER 165 Cb -0.12 -2.29 0.17 0.00 0.10 0.00 0.00 66.02 63.88 1wdk s SER 165 CO 0.19 -1.86 1.88 -0.09 0.98 0.00 0.00 173.24 174.34 1wdk h ARG 166 N -1.01 1.03 -0.29 4.02 9.65 -1.96 -1.78 114.38 124.06 1wdk h ARG 166 Ca -0.46 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.35 1wdk h ARG 166 Cb 1.24 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 29.58 1wdk h ARG 166 CO 0.57 0.69 0.16 0.93 2.80 0.00 0.00 179.97 185.12 1wdk h GLU 167 N 1.06 0.40 -0.96 0.20 5.08 -1.94 -0.83 114.58 117.58 1wdk h GLU 167 Ca 0.28 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1wdk h GLU 167 Cb -0.11 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.01 1wdk h GLU 167 CO -0.06 0.34 0.63 1.96 -1.00 0.00 0.00 179.01 180.89 1wdk h GLN 168 N 0.35 1.22 -0.14 2.33 4.20 -1.84 -0.78 115.11 120.45 1wdk h GLN 168 Ca 0.10 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1wdk h GLN 168 Cb 0.06 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 1wdk h GLN 168 CO -0.02 0.81 -0.01 1.96 -0.67 0.00 0.00 178.83 180.90 1wdk h GLN 169 N 1.26 0.25 -0.41 1.46 4.20 -1.02 -2.41 115.11 118.45 1wdk h GLN 169 Ca 0.37 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 1wdk h GLN 169 Cb -0.08 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1wdk h GLN 169 CO -0.10 0.51 0.14 -0.44 -0.67 0.00 0.00 178.83 178.27 1wdk h ASP 170 N -0.03 0.54 -0.18 1.46 3.32 -0.94 -2.01 116.42 118.57 1wdk h ASP 170 Ca 0.04 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1wdk h ASP 170 Cb 0.40 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1wdk h ASP 170 CO 0.01 0.51 0.08 0.00 -1.72 0.00 0.00 179.24 178.12 1wdk h ALA 171 N 1.57 0.24 -0.42 3.45 0.00 -1.02 0.51 119.26 123.59 1wdk h ALA 171 Ca 0.14 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1wdk h ALA 171 Cb 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1wdk h ALA 171 CO -0.01 -0.19 0.18 0.35 0.00 0.00 0.00 179.25 179.58 1wdk h PHE 172 N 0.16 0.33 -0.37 0.00 3.57 -1.11 -0.26 116.94 119.26 1wdk h PHE 172 Ca 0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1wdk h PHE 172 Cb 0.14 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1wdk h PHE 172 CO -0.02 0.15 0.24 0.00 -2.23 0.00 0.00 178.31 176.45 1wdk h ALA 173 N 1.25 0.46 -0.76 2.41 0.00 -1.01 0.92 119.26 122.53 1wdk h ALA 173 Ca 0.19 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1wdk h ALA 173 Cb 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1wdk h ALA 173 CO -0.16 -0.07 0.48 0.28 0.00 0.00 0.00 179.25 179.78 1wdk h VAL 174 N 0.49 1.12 -0.83 0.00 2.07 -0.42 -1.59 116.25 117.09 1wdk h VAL 174 Ca 0.13 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1wdk h VAL 174 Cb -0.05 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.77 1wdk h VAL 174 CO -0.03 0.17 0.43 -0.09 0.02 0.00 0.00 177.57 178.08 1wdk h ARG 175 N 0.94 1.17 0.21 1.57 2.43 -0.42 -0.78 114.38 119.51 1wdk h ARG 175 Ca 0.30 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1wdk h ARG 175 Cb 0.00 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1wdk h ARG 175 CO -0.11 0.88 -0.15 1.03 -1.51 0.00 0.00 179.97 180.11 1wdk h SER 176 N 1.16 -0.38 -0.45 -3.80 0.87 0.10 0.24 113.55 111.29 1wdk h SER 176 Ca 0.29 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 1wdk h SER 176 Cb 0.07 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1wdk h SER 176 CO -0.04 -0.23 0.13 0.45 -0.53 0.00 0.00 176.83 176.60 1wdk h HIS 177 N -0.36 0.73 -0.20 2.24 3.86 -1.29 -0.96 115.15 119.17 1wdk h HIS 177 Ca -0.01 -0.08 0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1wdk h HIS 177 Cb 0.31 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 28.52 1wdk h HIS 177 CO -0.10 0.66 -0.11 0.37 0.86 0.00 0.00 177.93 179.60 1wdk h GLN 178 N 0.59 -0.10 -0.01 2.45 4.15 -0.90 0.28 115.11 121.56 1wdk h GLN 178 Ca 0.14 0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.44 1wdk h GLN 178 Cb 0.28 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 1wdk h GLN 178 CO -0.00 -0.06 -0.62 -0.07 -1.93 0.00 0.00 178.83 176.15 1wdk h LEU 179 N -0.10 0.06 -0.34 -2.39 3.38 -0.42 -1.93 115.31 113.57 1wdk h LEU 179 Ca 0.11 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 1wdk h LEU 179 Cb 0.27 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1wdk h LEU 179 CO -0.27 0.66 -0.46 0.00 0.09 0.00 0.00 178.44 178.46 1wdk h ALA 180 N 1.34 0.51 -0.37 1.53 0.00 -0.79 -1.65 119.26 119.83 1wdk h ALA 180 Ca -0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1wdk h ALA 180 Cb 1.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1wdk h ALA 180 CO 0.08 0.67 -0.01 1.25 0.00 0.00 0.00 179.25 181.24 1wdk h HIS 181 N 0.71 0.74 -0.20 0.00 -0.00 -0.90 -1.45 115.15 114.05 1wdk h HIS 181 Ca 0.04 -0.13 0.02 0.00 -0.00 0.00 0.00 60.37 60.30 1wdk h HIS 181 Cb 1.06 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 28.26 1wdk h HIS 181 CO 0.07 0.77 0.06 -0.22 -0.00 0.00 0.00 177.93 178.62 1wdk h LYS 182 N 0.49 0.15 -0.98 5.26 3.64 -1.29 -0.49 116.57 123.35 1wdk h LYS 182 Ca 0.10 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1wdk h LYS 182 Cb 0.49 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 1wdk h LYS 182 CO 0.02 0.10 0.65 0.00 -2.27 0.00 0.00 179.45 177.95 1wdk h ALA 183 N 1.13 1.25 0.81 5.00 0.00 -1.21 -0.65 119.26 125.59 1wdk h ALA 183 Ca 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1wdk h ALA 183 Cb 0.06 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 17.46 1wdk h ALA 183 CO -0.09 0.63 -0.39 1.15 0.00 0.00 0.00 179.25 180.54 1wdk h THR 184 N 1.32 0.13 -0.96 0.00 2.02 -0.70 0.20 112.91 114.92 1wdk h THR 184 Ca 0.36 -0.11 0.15 0.00 0.77 0.00 0.00 66.41 67.58 1wdk h THR 184 Cb -0.14 0.15 -0.09 0.00 -1.74 0.00 0.00 68.15 66.32 1wdk h THR 184 CO -0.08 0.01 0.57 0.58 0.37 0.00 0.00 175.52 176.97 1wdk h VAL 185 N -1.19 0.81 -0.12 3.16 2.07 -0.92 -0.35 116.25 119.70 1wdk h VAL 185 Ca -0.11 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1wdk h VAL 185 Cb 0.85 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1wdk h VAL 185 CO 0.18 0.15 0.00 -0.62 0.02 0.00 0.00 177.57 177.30 1wdk n GLU 186 N -4.73 1.31 -2.20 1.57 1.02 -0.27 -4.90 120.64 112.44 1wdk n GLU 186 Ca 0.20 -0.48 -0.18 0.00 -0.02 0.00 0.00 57.16 56.68 1wdk n GLU 186 Cb 0.44 -1.15 -0.02 0.00 -0.02 0.00 0.00 31.44 30.69 1wdk n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wdk n GLY 187 N 0.76 -0.03 0.00 0.62 0.00 -0.14 -4.88 105.19 101.52 1wdk n GLY 187 Ca 0.07 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1wdk n GLY 187 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wdk n LYS 188 N -2.66 0.02 -0.10 1.61 5.02 0.66 -2.47 118.16 120.24 1wdk n LYS 188 Ca -0.20 0.02 0.08 0.00 -2.02 0.00 0.00 58.31 56.19 1wdk n LYS 188 Cb 0.65 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 34.28 1wdk n LYS 188 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1wdk n PHE 189 N -1.49 0.27 -0.22 2.13 0.99 -1.25 -4.62 117.46 113.28 1wdk n PHE 189 Ca 0.07 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.45 57.29 1wdk n PHE 189 Cb 0.32 -0.01 0.17 0.00 -1.00 0.00 0.00 39.48 38.96 1wdk n PHE 189 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1wdk h LYS 190 N 2.91 1.02 -0.04 -1.08 3.64 -1.82 -1.77 116.57 119.43 1wdk h LYS 190 Ca 0.00 -0.13 -0.19 0.00 -1.27 0.00 0.00 60.65 59.05 1wdk h LYS 190 Cb 0.71 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1wdk h LYS 190 CO 0.00 0.78 -0.81 -0.44 -2.27 0.00 0.00 179.45 176.71 1wdk h ASP 191 N 1.02 0.42 0.47 4.20 3.32 -1.82 -3.35 116.42 120.69 1wdk h ASP 191 Ca 0.25 -0.31 -0.30 0.00 0.02 0.00 0.00 57.03 56.70 1wdk h ASP 191 Cb 0.09 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1wdk h ASP 191 CO -0.03 1.07 -1.71 1.05 -1.72 0.00 0.00 179.24 177.90 1wdk h GLU 192 N 0.22 0.03 -6.24 3.56 4.11 -1.81 -3.46 114.58 110.99 1wdk h GLU 192 Ca -0.04 -0.06 -0.56 0.00 0.07 0.00 0.00 59.36 58.77 1wdk h GLU 192 Cb 1.40 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.64 1wdk h GLU 192 CO 0.13 0.60 0.78 0.42 0.07 0.00 0.00 179.01 181.01 1wdk s ILE 193 N -2.60 4.28 -0.40 -1.06 1.01 -0.67 -0.16 121.20 121.59 1wdk s ILE 193 Ca -0.06 1.59 -0.19 0.00 0.00 0.00 0.00 60.65 61.98 1wdk s ILE 193 Cb 0.08 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.54 1wdk s ILE 193 CO 0.82 -0.06 0.55 -0.63 0.00 0.00 0.00 174.94 175.62 1wdk s ILE 194 N 2.72 4.96 0.45 2.92 -1.09 0.21 -4.89 121.20 126.48 1wdk s ILE 194 Ca 0.55 0.06 -0.22 0.00 -2.23 0.00 0.00 60.65 58.81 1wdk s ILE 194 Cb -0.23 -4.08 -0.11 0.00 -1.58 0.00 0.00 42.46 36.46 1wdk s ILE 194 CO 0.19 -0.43 0.76 -2.65 -1.23 0.00 0.00 174.94 171.58 1wdk n PRO 195 N 5.91 0.89 -3.66 2.79 -0.02 -1.26 -4.33 135.00 135.32 1wdk n PRO 195 Ca -0.04 0.32 -0.15 0.00 -2.02 0.00 0.00 63.50 61.61 1wdk n PRO 195 Cb 0.48 -1.79 -0.07 0.00 -0.02 0.00 0.00 33.50 32.09 1wdk n PRO 195 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1wdk s MET 196 N -1.91 0.83 0.31 -0.52 1.75 -0.78 -4.97 119.30 114.02 1wdk s MET 196 Ca 0.65 -0.01 -0.28 0.00 -1.25 0.00 0.00 55.69 54.80 1wdk s MET 196 Cb -0.55 0.38 -0.09 0.00 2.84 0.00 0.00 34.83 37.41 1wdk s MET 196 CO 0.56 -0.25 1.12 -0.65 -0.65 0.00 0.00 175.02 175.15 1wdk s GLN 197 N -1.28 4.49 0.00 4.11 -0.21 -1.26 -0.61 119.66 124.90 1wdk s GLN 197 Ca -0.12 1.80 -0.00 0.00 0.02 0.00 0.00 55.36 57.06 1wdk s GLN 197 Cb -0.03 -3.04 0.00 0.00 1.00 0.00 0.00 33.01 30.94 1wdk s GLN 197 CO 0.07 0.08 0.01 0.41 -2.12 0.00 0.00 175.29 173.73 1wdk n GLY 198 N 0.99 2.40 3.11 3.09 0.00 0.37 -4.90 105.19 110.25 1wdk n GLY 198 Ca 0.00 -1.15 -0.20 0.00 0.00 0.00 0.00 46.02 44.68 1wdk n GLY 198 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wdk s TYR 199 N -7.49 1.13 0.78 1.61 1.51 -0.93 -1.98 117.35 111.98 1wdk s TYR 199 Ca 0.00 -0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1wdk s TYR 199 Cb -0.00 -0.69 0.16 0.00 -0.11 0.00 0.00 41.96 41.32 1wdk s TYR 199 CO 0.00 0.01 1.07 -0.40 -1.11 0.00 0.00 175.55 175.12 1wdk n ASP 200 N 2.17 1.16 0.06 2.29 5.68 -0.78 -4.03 116.55 123.09 1wdk n ASP 200 Ca -0.17 -2.05 0.21 0.00 -0.50 0.00 0.00 54.79 52.29 1wdk n ASP 200 Cb 0.55 -0.72 0.69 0.00 -1.14 0.00 0.00 41.12 40.51 1wdk n ASP 200 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1wdk h GLU 201 N 0.00 0.00 -0.08 0.11 3.07 -1.91 0.21 114.58 115.97 1wdk h GLU 201 Ca -0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 1wdk h GLU 201 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1wdk h GLU 201 CO 0.35 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 178.05 1wdk n ASN 202 N -3.55 2.42 0.00 1.42 3.02 -1.26 -4.93 115.26 112.38 1wdk n ASN 202 Ca 0.09 -1.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.84 1wdk n ASN 202 Cb 0.77 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 1wdk n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wdk n GLY 203 N 1.29 0.78 3.75 7.41 0.00 0.73 -5.02 105.19 114.13 1wdk n GLY 203 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1wdk n GLY 203 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wdk s PHE 204 N -2.91 3.35 0.00 1.61 0.40 -1.26 -4.74 117.98 114.44 1wdk s PHE 204 Ca 0.00 1.45 -0.25 0.00 -0.60 0.00 0.00 56.93 57.53 1wdk s PHE 204 Cb 0.00 -3.48 -0.05 0.00 0.51 0.00 0.00 43.02 40.00 1wdk s PHE 204 CO 0.00 -1.32 0.78 -1.17 0.70 0.00 0.00 175.22 174.21 1wdk s LEU 205 N -0.88 4.40 0.26 -0.37 2.96 -1.26 -1.87 118.68 121.92 1wdk s LEU 205 Ca 0.51 1.40 -0.20 0.00 -0.22 0.00 0.00 54.13 55.62 1wdk s LEU 205 Cb -0.35 -3.24 0.07 0.00 0.50 0.00 0.00 46.19 43.17 1wdk s LEU 205 CO 0.42 -0.07 0.94 -1.59 -1.32 0.00 0.00 176.35 174.73 1wdk s LYS 206 N 0.38 1.67 -0.12 1.98 -2.85 -0.84 -5.01 119.74 114.95 1wdk s LYS 206 Ca 0.40 -1.07 -0.07 0.00 -1.00 0.00 0.00 55.97 54.23 1wdk s LYS 206 Cb -0.20 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 1wdk s LYS 206 CO 0.22 -0.78 0.14 0.42 0.10 0.00 0.00 175.35 175.45 1wdk s ILE 207 N -2.25 5.50 -0.07 3.79 1.01 -1.26 -0.48 121.20 127.44 1wdk s ILE 207 Ca 0.19 0.21 0.04 0.00 0.00 0.00 0.00 60.65 61.09 1wdk s ILE 207 Cb -0.04 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1wdk s ILE 207 CO 0.08 0.61 -0.19 -0.36 0.00 0.00 0.00 174.94 175.08 1wdk s PHE 208 N -0.98 2.61 -0.04 3.97 0.40 0.22 -4.94 117.98 119.22 1wdk s PHE 208 Ca 0.15 -0.51 0.09 0.00 -0.60 0.00 0.00 56.93 56.06 1wdk s PHE 208 Cb -0.12 -1.67 0.16 0.00 0.51 0.00 0.00 43.02 41.90 1wdk s PHE 208 CO 0.04 -0.08 1.07 -0.40 0.70 0.00 0.00 175.22 176.56 1wdk n ASP 209 N 2.86 0.79 -3.96 1.36 5.75 -1.26 -1.87 116.55 120.22 1wdk n ASP 209 Ca -0.17 -2.36 -0.09 0.00 -0.01 0.00 0.00 54.79 52.16 1wdk n ASP 209 Cb 0.52 -0.29 -0.08 0.00 -1.03 0.00 0.00 41.12 40.24 1wdk n ASP 209 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1wdk s TYR 210 N -0.84 0.36 -0.36 2.11 -0.85 -1.26 -4.98 117.35 111.53 1wdk s TYR 210 Ca 0.15 -0.80 -0.21 0.00 -0.52 0.00 0.00 57.07 55.68 1wdk s TYR 210 Cb 0.15 -0.18 0.01 0.00 0.38 0.00 0.00 41.96 42.31 1wdk s TYR 210 CO -0.02 -0.54 0.68 -0.51 -1.52 0.00 0.00 175.55 173.64 1wdk s ASP 211 N -2.92 6.46 0.43 -0.18 1.01 -1.26 -4.35 116.67 115.87 1wdk s ASP 211 Ca 0.10 0.20 0.09 0.00 0.71 0.00 0.00 52.55 53.66 1wdk s ASP 211 Cb 0.06 -2.35 0.94 0.00 1.01 0.00 0.00 42.92 42.58 1wdk s ASP 211 CO -0.07 -0.64 2.05 -0.33 0.21 0.00 0.00 175.17 176.39 1wdk h GLU 212 N 8.47 0.37 -0.69 8.23 5.08 -1.62 -3.07 114.58 131.36 1wdk h GLU 212 Ca -0.26 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1wdk h GLU 212 Cb 1.10 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1wdk h GLU 212 CO 0.86 0.28 0.47 1.79 -1.00 0.00 0.00 179.01 181.41 1wdk h THR 213 N 0.37 0.78 -3.13 1.13 1.35 -1.79 -3.43 112.91 108.19 1wdk h THR 213 Ca 0.10 -0.11 -0.54 0.00 -0.55 0.00 0.00 66.41 65.32 1wdk h THR 213 Cb 0.03 0.45 0.08 0.00 -1.73 0.00 0.00 68.15 66.98 1wdk h THR 213 CO -0.02 0.06 0.88 -0.38 -0.25 0.00 0.00 175.52 175.81 1wdk n ILE 214 N -4.45 0.85 -3.75 6.82 5.41 -0.99 -4.81 119.36 118.44 1wdk n ILE 214 Ca 0.13 -0.21 -0.29 0.00 1.00 0.00 0.00 62.75 63.38 1wdk n ILE 214 Cb 0.54 -1.93 -0.13 0.00 -0.71 0.00 0.00 39.64 37.42 1wdk n ILE 214 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1wdk s ARG 215 N -0.23 1.57 0.57 0.38 0.52 -1.26 -4.99 118.95 115.51 1wdk s ARG 215 Ca 0.66 -2.36 0.27 0.00 -0.52 0.00 0.00 55.73 53.78 1wdk s ARG 215 Cb -0.51 -2.60 1.55 0.00 0.52 0.00 0.00 34.95 33.91 1wdk s ARG 215 CO 0.46 -1.20 2.08 -1.35 0.02 0.00 0.00 175.30 175.31 1wdk h PRO 216 N 6.34 0.00 0.00 3.54 0.11 -1.94 -2.10 132.00 137.95 1wdk h PRO 216 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1wdk h PRO 216 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1wdk h PRO 216 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 1wdk n ASP 217 N -4.00 0.00 -4.64 -2.05 5.75 -1.26 -4.81 116.55 105.54 1wdk n ASP 217 Ca 0.03 -1.72 -0.43 0.00 -0.01 0.00 0.00 54.79 52.66 1wdk n ASP 217 Cb 0.37 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.43 1wdk n ASP 217 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1wdk s THR 218 N -2.00 4.37 0.33 2.12 2.01 -0.79 -4.90 115.64 116.78 1wdk s THR 218 Ca 0.04 1.59 0.04 0.00 0.31 0.00 0.00 61.69 63.66 1wdk s THR 218 Cb 0.02 -4.25 -0.07 0.00 0.01 0.00 0.00 72.50 68.21 1wdk s THR 218 CO 0.03 -0.39 0.05 0.42 -0.69 0.00 0.00 174.62 174.04 1wdk s THR 219 N 3.81 1.26 0.34 -0.82 -4.23 -1.26 -4.80 115.64 109.94 1wdk s THR 219 Ca 0.50 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 1wdk s THR 219 Cb -0.16 -2.81 0.27 0.00 1.34 0.00 0.00 72.50 71.14 1wdk s THR 219 CO 0.17 0.00 2.00 -0.07 -0.54 0.00 0.00 174.62 176.17 1wdk h LEU 220 N 2.08 0.79 -0.14 4.79 3.38 -1.95 -1.47 115.31 122.79 1wdk h LEU 220 Ca -0.41 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1wdk h LEU 220 Cb 1.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1wdk h LEU 220 CO 0.71 0.56 0.04 -0.33 0.09 0.00 0.00 178.44 179.51 1wdk h GLU 221 N 0.93 0.21 -0.28 1.13 3.07 -1.98 0.31 114.58 117.97 1wdk h GLU 221 Ca 0.26 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 59.01 1wdk h GLU 221 Cb -0.08 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 1wdk h GLU 221 CO -0.06 0.34 -0.11 0.66 -1.40 0.00 0.00 179.01 178.45 1wdk h SER 222 N 0.04 0.44 0.86 1.42 4.64 -1.81 -2.82 113.55 116.31 1wdk h SER 222 Ca 0.04 -0.10 -0.18 0.00 -0.47 0.00 0.00 61.79 61.08 1wdk h SER 222 Cb 0.22 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 1wdk h SER 222 CO -0.00 0.58 -0.87 -0.07 -0.87 0.00 0.00 176.83 175.60 1wdk h LEU 223 N 0.43 0.01 -1.58 5.97 3.38 -1.12 -3.13 115.31 119.27 1wdk h LEU 223 Ca 0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1wdk h LEU 223 Cb 0.45 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1wdk h LEU 223 CO 0.02 0.87 -0.17 0.00 0.09 0.00 0.00 178.44 179.25 1wdk h ALA 224 N 1.13 1.17 0.00 1.53 0.00 -0.69 -2.32 119.26 120.08 1wdk h ALA 224 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wdk h ALA 224 Cb 1.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1wdk h ALA 224 CO 0.11 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1wdk h ALA 225 N 1.83 1.00 -2.47 0.00 0.00 -1.46 -3.45 119.26 114.71 1wdk h ALA 225 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1wdk h ALA 225 Cb 0.51 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.35 1wdk h ALA 225 CO 0.02 0.00 0.41 -0.51 0.00 0.00 0.00 179.25 179.17 1wdk s LEU 226 N -5.54 3.81 0.14 0.00 1.43 -0.88 -5.05 118.68 112.60 1wdk s LEU 226 Ca 0.07 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.25 1wdk s LEU 226 Cb 0.08 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.72 1wdk s LEU 226 CO 0.59 -0.98 0.25 -0.54 0.23 0.00 0.00 176.35 175.90 1wdk s LYS 227 N -3.22 3.36 0.33 1.70 1.02 -1.26 -5.04 119.74 116.63 1wdk s LYS 227 Ca 0.70 -0.62 -0.27 0.00 0.02 0.00 0.00 55.97 55.79 1wdk s LYS 227 Cb -0.20 -2.93 -0.13 0.00 -0.52 0.00 0.00 37.83 34.05 1wdk s LYS 227 CO 0.24 0.53 1.09 -2.30 -0.92 0.00 0.00 175.35 173.98 1wdk n PRO 228 N -0.41 1.57 0.02 -1.68 -0.02 -1.26 -4.51 135.00 128.71 1wdk n PRO 228 Ca -0.07 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.08 1wdk n PRO 228 Cb 0.54 -2.02 -0.12 0.00 -0.02 0.00 0.00 33.50 31.88 1wdk n PRO 228 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wdk n ALA 229 N 0.12 2.74 0.00 3.55 0.00 0.30 -4.64 120.51 122.57 1wdk n ALA 229 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1wdk n ALA 229 Cb 0.35 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1wdk n ALA 229 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wdk n PHE 230 N -2.37 0.00 -3.55 0.00 3.01 -1.26 -4.95 117.46 108.34 1wdk n PHE 230 Ca -0.03 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.14 1wdk n PHE 230 Cb 0.56 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.90 1wdk n PHE 230 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1wdk s ASN 231 N -1.53 3.38 0.24 4.37 3.04 -1.26 -4.92 114.94 118.26 1wdk s ASN 231 Ca 0.00 -1.84 -0.05 0.00 0.04 0.00 0.00 52.86 51.00 1wdk s ASN 231 Cb 0.00 -0.51 0.45 0.00 -1.54 0.00 0.00 41.25 39.66 1wdk s ASN 231 CO 0.00 -0.36 1.67 -0.65 -3.04 0.00 0.00 177.10 174.72 1wdk h PRO 232 N 7.62 0.22 -3.97 0.43 0.11 -1.92 -0.56 132.00 133.92 1wdk h PRO 232 Ca -0.06 -0.01 -0.73 0.00 0.11 0.00 0.00 66.00 65.31 1wdk h PRO 232 Cb 0.99 -0.05 -0.31 0.00 0.11 0.00 0.00 31.00 31.74 1wdk h PRO 232 CO 0.37 0.14 -0.29 -1.59 -0.21 0.00 0.00 178.00 176.43 1wdk s LYS 233 N -6.06 2.71 0.00 1.05 -2.85 -1.26 -4.53 119.74 108.80 1wdk s LYS 233 Ca -0.13 -2.17 0.00 0.00 -1.00 0.00 0.00 55.97 52.67 1wdk s LYS 233 Cb 0.21 -3.94 0.00 0.00 -2.06 0.00 0.00 37.83 32.04 1wdk s LYS 233 CO 0.75 -1.20 0.00 0.41 0.10 0.00 0.00 175.35 175.41 1wdk n GLY 234 N 4.21 2.71 3.63 0.59 0.00 -1.25 -5.09 105.19 109.99 1wdk n GLY 234 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1wdk n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wdk n GLY 235 N -0.81 -0.31 0.00 -0.02 0.00 -0.22 -4.95 105.19 98.89 1wdk n GLY 235 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1wdk n GLY 235 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wdk n THR 236 N -2.39 0.00 -2.83 2.61 -2.24 -1.26 -4.74 114.28 103.42 1wdk n THR 236 Ca 0.13 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 1wdk n THR 236 Cb 0.49 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 1wdk n THR 236 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1wdk s VAL 237 N -1.54 4.66 0.38 2.28 1.01 -1.26 -4.77 120.40 121.16 1wdk s VAL 237 Ca 0.00 1.88 0.04 0.00 0.00 0.00 0.00 61.98 63.89 1wdk s VAL 237 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1wdk s VAL 237 CO 0.00 0.31 0.11 0.42 0.00 0.00 0.00 175.10 175.94 1wdk s THR 238 N 0.14 0.76 0.40 3.92 -4.23 -1.26 -0.54 115.64 114.83 1wdk s THR 238 Ca 0.44 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.18 1wdk s THR 238 Cb -0.22 -2.48 0.25 0.00 1.34 0.00 0.00 72.50 71.39 1wdk s THR 238 CO 0.26 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.36 1wdk h ALA 239 N 1.90 1.34 0.00 3.99 0.00 -1.94 -2.51 119.26 122.05 1wdk h ALA 239 Ca -0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1wdk h ALA 239 Cb 1.27 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wdk h ALA 239 CO 0.61 0.21 -0.13 0.78 0.00 0.00 0.00 179.25 180.71 1wdk h GLY 240 N 0.91 0.00 -1.27 0.00 0.00 -1.94 -3.11 103.07 97.66 1wdk h GLY 240 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wdk h GLY 240 CO 0.02 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.26 1wdk n THR 241 N -3.22 2.15 -4.29 4.70 -2.24 -0.96 -4.84 114.28 105.58 1wdk n THR 241 Ca 0.01 -1.91 -0.28 0.00 -2.27 0.00 0.00 64.05 59.60 1wdk n THR 241 Cb 0.43 -0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 68.34 1wdk n THR 241 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wdk s SER 242 N -2.07 4.13 0.62 3.42 0.01 -1.13 -1.45 113.70 117.23 1wdk s SER 242 Ca 0.39 -0.56 -0.18 0.00 1.31 0.00 0.00 55.95 56.91 1wdk s SER 242 Cb 0.32 -0.66 -0.02 0.00 0.21 0.00 0.00 66.02 65.86 1wdk s SER 242 CO 0.08 0.14 1.25 -0.94 0.41 0.00 0.00 173.24 174.18 1wdk s SER 243 N -2.52 4.87 0.50 2.44 1.04 -0.01 -4.66 113.70 115.37 1wdk s SER 243 Ca 0.22 2.51 -0.09 0.00 0.48 0.00 0.00 55.95 59.07 1wdk s SER 243 Cb -0.10 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.37 1wdk s SER 243 CO 0.13 -1.81 0.86 -1.10 0.98 0.00 0.00 173.24 172.30 1wdk s GLN 244 N -3.37 3.65 -0.61 4.02 -0.21 -1.20 -4.83 119.66 117.11 1wdk s GLN 244 Ca 0.80 0.48 -0.25 0.00 0.02 0.00 0.00 55.36 56.41 1wdk s GLN 244 Cb -0.34 -2.28 0.04 0.00 1.00 0.00 0.00 33.01 31.43 1wdk s GLN 244 CO 0.37 -0.26 1.07 0.42 -2.12 0.00 0.00 175.29 174.76 1wdk s ILE 245 N -2.75 4.17 0.33 1.08 -1.09 -1.26 -2.10 121.20 119.57 1wdk s ILE 245 Ca 0.51 0.32 0.07 0.00 -2.23 0.00 0.00 60.65 59.33 1wdk s ILE 245 Cb -0.10 -4.68 -0.06 0.00 -1.58 0.00 0.00 42.46 36.03 1wdk s ILE 245 CO 0.43 -1.37 -0.04 -0.89 -1.23 0.00 0.00 174.94 171.83 1wdk s THR 246 N 4.54 1.82 -0.16 2.92 2.01 -1.26 -2.75 115.64 122.76 1wdk s THR 246 Ca 0.32 -2.11 0.00 0.00 0.31 0.00 0.00 61.69 60.21 1wdk s THR 246 Cb -0.11 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.76 1wdk s THR 246 CO 0.18 -0.19 -0.16 -1.81 -0.69 0.00 0.00 174.62 171.95 1wdk s ASP 247 N -3.54 3.53 -0.05 3.53 1.01 -0.62 -3.30 116.67 117.22 1wdk s ASP 247 Ca 0.32 -0.52 -0.31 0.00 0.71 0.00 0.00 52.55 52.76 1wdk s ASP 247 Cb 0.05 -1.54 0.11 0.00 1.01 0.00 0.00 42.92 42.55 1wdk s ASP 247 CO 0.15 0.06 1.04 -0.83 0.21 0.00 0.00 175.17 175.79 1wdk s GLY 248 N 0.97 -0.38 0.03 0.21 0.00 -0.81 -2.34 107.32 105.01 1wdk s GLY 248 Ca -0.02 1.08 0.01 0.00 0.00 0.00 0.00 44.72 45.78 1wdk s GLY 248 CO -0.03 0.34 -0.05 0.00 0.00 0.00 0.00 173.10 173.36 1wdk s ALA 249 N -2.85 0.38 0.12 3.20 0.00 -1.26 -2.03 121.76 119.32 1wdk s ALA 249 Ca 0.08 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.36 1wdk s ALA 249 Cb -0.01 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1wdk s ALA 249 CO -0.06 -0.10 -0.12 -1.54 0.00 0.00 0.00 175.76 173.94 1wdk s SER 250 N -1.63 1.81 -0.09 0.00 1.04 -0.31 -1.87 113.70 112.65 1wdk s SER 250 Ca -0.11 -0.86 -0.23 0.00 0.48 0.00 0.00 55.95 55.23 1wdk s SER 250 Cb -0.09 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.05 1wdk s SER 250 CO -0.01 -0.22 0.54 0.00 0.98 0.00 0.00 173.24 174.53 1wdk s MET 252 N -0.74 0.36 -0.21 0.00 -1.94 0.16 -1.09 119.30 115.84 1wdk s MET 252 Ca -0.08 -0.32 -0.05 0.00 -1.71 0.00 0.00 55.69 53.53 1wdk s MET 252 Cb -0.03 0.15 -0.02 0.00 2.01 0.00 0.00 34.83 36.94 1wdk s MET 252 CO 0.05 -0.08 0.00 0.42 -0.01 0.00 0.00 175.02 175.41 1wdk s ILE 253 N -1.06 3.95 0.02 2.53 1.01 -1.04 -0.95 121.20 125.65 1wdk s ILE 253 Ca -0.12 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.29 1wdk s ILE 253 Cb -0.07 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 1wdk s ILE 253 CO 0.01 0.42 -0.21 -0.69 0.00 0.00 0.00 174.94 174.47 1wdk s VAL 254 N 1.10 1.66 0.17 2.92 1.01 0.14 -0.67 120.40 126.73 1wdk s VAL 254 Ca 0.02 -1.07 -0.23 0.00 0.00 0.00 0.00 61.98 60.70 1wdk s VAL 254 Cb -0.14 -1.42 0.06 0.00 0.00 0.00 0.00 36.38 34.88 1wdk s VAL 254 CO 0.02 0.31 0.62 0.00 0.00 0.00 0.00 175.10 176.05 1wdk s MET 255 N -0.89 1.33 0.70 2.72 0.23 -0.30 0.20 119.30 123.29 1wdk s MET 255 Ca 0.08 -0.53 -0.16 0.00 -1.03 0.00 0.00 55.69 54.05 1wdk s MET 255 Cb -0.08 0.59 0.02 0.00 -1.53 0.00 0.00 34.83 33.82 1wdk s MET 255 CO 0.01 -0.59 1.26 -1.54 -2.03 0.00 0.00 175.02 172.14 1wdk s SER 256 N -2.76 4.25 0.26 -1.18 1.04 -0.64 -0.72 113.70 113.94 1wdk s SER 256 Ca 0.02 2.54 -0.04 0.00 0.48 0.00 0.00 55.95 58.95 1wdk s SER 256 Cb -0.02 -2.61 0.31 0.00 0.10 0.00 0.00 66.02 63.81 1wdk s SER 256 CO -0.10 -2.24 1.84 0.00 0.98 0.00 0.00 173.24 173.72 1wdk h ALA 257 N 0.05 1.19 -0.21 5.32 0.00 -0.69 -1.92 119.26 122.99 1wdk h ALA 257 Ca -0.49 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.29 1wdk h ALA 257 Cb 1.32 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1wdk h ALA 257 CO 0.51 0.60 -0.07 0.37 0.00 0.00 0.00 179.25 180.65 1wdk h GLN 258 N 1.02 -0.03 -0.43 0.00 5.75 -1.50 0.24 115.11 120.15 1wdk h GLN 258 Ca 0.24 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.68 1wdk h GLN 258 Cb 0.18 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 1wdk h GLN 258 CO -0.02 -0.02 0.03 -0.09 -2.65 0.00 0.00 178.83 176.07 1wdk h ARG 259 N -0.03 0.69 -0.34 1.69 9.65 -1.76 -1.02 114.38 123.25 1wdk h ARG 259 Ca 0.11 -0.16 -0.10 0.00 -1.10 0.00 0.00 59.98 58.73 1wdk h ARG 259 Cb 0.20 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 1wdk h ARG 259 CO -0.24 0.68 -0.20 0.00 2.80 0.00 0.00 179.97 183.02 1wdk h ALA 260 N 1.38 1.02 0.19 2.80 0.00 -0.51 -1.09 119.26 123.05 1wdk h ALA 260 Ca 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1wdk h ALA 260 Cb 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wdk h ALA 260 CO 0.01 0.59 -0.09 -0.22 0.00 0.00 0.00 179.25 179.53 1wdk h LYS 261 N 0.57 -0.25 0.05 0.00 3.64 0.03 -1.77 116.57 118.84 1wdk h LYS 261 Ca 0.09 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1wdk h LYS 261 Cb 0.65 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 1wdk h LYS 261 CO 0.05 0.02 -0.26 -0.44 -2.27 0.00 0.00 179.45 176.54 1wdk h ASP 262 N -0.50 -0.77 0.17 4.20 3.32 -1.04 -0.16 116.42 121.65 1wdk h ASP 262 Ca -0.03 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1wdk h ASP 262 Cb 0.38 0.30 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1wdk h ASP 262 CO 0.04 -0.34 0.00 0.18 -1.72 0.00 0.00 179.24 177.40 1wdk n LEU 263 N -5.38 0.00 -3.52 1.55 4.77 -0.43 -4.87 117.00 109.12 1wdk n LEU 263 Ca -0.06 0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 55.97 1wdk n LEU 263 Cb 0.29 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1wdk n LEU 263 CO 0.23 -0.16 0.11 0.61 -1.33 0.00 0.00 177.39 176.85 1wdk n GLY 264 N -0.36 -0.39 3.20 -0.72 0.00 -0.07 -5.01 105.19 101.83 1wdk n GLY 264 Ca 0.06 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1wdk n GLY 264 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wdk s LEU 265 N -6.62 2.00 -0.13 0.99 2.34 -0.83 -5.05 118.68 111.37 1wdk s LEU 265 Ca 0.14 -0.47 -0.29 0.00 0.06 0.00 0.00 54.13 53.57 1wdk s LEU 265 Cb -0.06 -1.24 -0.03 0.00 -0.56 0.00 0.00 46.19 44.30 1wdk s LEU 265 CO 0.75 0.18 1.38 -0.70 -1.06 0.00 0.00 176.35 176.89 1wdk s GLU 266 N 0.09 4.22 0.31 1.48 2.56 -1.26 -4.72 118.70 121.38 1wdk s GLU 266 Ca -0.09 1.81 -0.29 0.00 0.00 0.00 0.00 54.97 56.40 1wdk s GLU 266 Cb -0.15 -3.83 -0.12 0.00 2.00 0.00 0.00 34.13 32.04 1wdk s GLU 266 CO 0.05 -0.75 1.43 -2.30 -0.56 0.00 0.00 175.26 173.13 1wdk n PRO 267 N 6.75 2.34 0.11 4.30 -0.02 -1.26 -4.89 135.00 142.33 1wdk n PRO 267 Ca 0.15 0.83 -0.03 0.00 -2.02 0.00 0.00 63.50 62.43 1wdk n PRO 267 Cb 0.44 -2.50 0.06 0.00 -0.02 0.00 0.00 33.50 31.48 1wdk n PRO 267 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1wdk h LEU 268 N 3.56 0.00 -7.18 2.45 5.85 -1.17 -3.48 115.31 115.33 1wdk h LEU 268 Ca -0.47 0.00 0.40 0.00 0.84 0.00 0.00 57.88 58.65 1wdk h LEU 268 Cb 1.26 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.16 1wdk h LEU 268 CO 0.70 0.74 0.99 0.00 -0.34 0.00 0.00 178.44 180.53 1wdk s ALA 269 N -3.21 -2.55 0.03 1.25 0.00 -1.22 -4.86 121.76 111.19 1wdk s ALA 269 Ca 0.00 0.82 0.04 0.00 0.00 0.00 0.00 51.96 52.82 1wdk s ALA 269 Cb 0.11 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 1wdk s ALA 269 CO 0.78 -1.08 -0.13 0.08 0.00 0.00 0.00 175.76 175.41 1wdk s VAL 270 N -2.03 1.02 0.08 0.00 1.01 -0.37 -1.33 120.40 118.78 1wdk s VAL 270 Ca 0.18 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 61.00 1wdk s VAL 270 Cb 0.06 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 35.46 1wdk s VAL 270 CO -0.06 0.03 0.82 -0.63 0.00 0.00 0.00 175.10 175.26 1wdk s ILE 271 N -0.76 4.63 -0.05 2.22 1.01 -0.62 -0.89 121.20 126.74 1wdk s ILE 271 Ca 0.01 1.75 0.10 0.00 0.00 0.00 0.00 60.65 62.51 1wdk s ILE 271 Cb -0.07 -4.17 -0.14 0.00 0.01 0.00 0.00 42.46 38.08 1wdk s ILE 271 CO 0.01 0.37 0.14 0.54 0.00 0.00 0.00 174.94 176.00 1wdk n ARG 272 N 2.67 1.27 -3.56 2.79 5.12 0.21 -4.62 116.66 120.53 1wdk n ARG 272 Ca -0.02 -0.05 -0.08 0.00 -1.93 0.00 0.00 57.85 55.77 1wdk n ARG 272 Cb 0.50 -1.25 -0.03 0.00 -1.16 0.00 0.00 32.46 30.51 1wdk n ARG 272 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1wdk s SER 273 N -3.67 -0.30 0.03 0.55 1.04 -1.20 -4.52 113.70 105.63 1wdk s SER 273 Ca -0.04 0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.52 1wdk s SER 273 Cb 0.05 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1wdk s SER 273 CO 0.42 -0.41 0.00 -0.04 0.98 0.00 0.00 173.24 174.20 1wdk s MET 274 N -2.14 0.48 -0.26 4.02 -1.94 -1.26 -1.37 119.30 116.83 1wdk s MET 274 Ca 0.04 -0.86 -0.26 0.00 -1.71 0.00 0.00 55.69 52.90 1wdk s MET 274 Cb -0.01 0.17 0.14 0.00 2.01 0.00 0.00 34.83 37.15 1wdk s MET 274 CO -0.04 -0.09 1.12 0.00 -0.01 0.00 0.00 175.02 175.99 1wdk s ALA 275 N -2.61 -2.02 0.28 3.03 0.00 -0.68 -4.69 121.76 115.09 1wdk s ALA 275 Ca -0.05 1.78 0.08 0.00 0.00 0.00 0.00 51.96 53.78 1wdk s ALA 275 Cb -0.01 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.68 1wdk s ALA 275 CO -0.05 -0.22 -0.11 0.14 0.00 0.00 0.00 175.76 175.52 1wdk s VAL 276 N -0.13 1.96 0.03 0.00 -7.23 -1.26 -0.34 120.40 113.43 1wdk s VAL 276 Ca 0.03 -2.21 -0.28 0.00 -1.81 0.00 0.00 61.98 57.72 1wdk s VAL 276 Cb -0.04 -2.41 0.10 0.00 0.56 0.00 0.00 36.38 34.58 1wdk s VAL 276 CO -0.07 -0.34 0.83 0.00 -0.31 0.00 0.00 175.10 175.21 1wdk s ALA 277 N -2.81 -1.77 0.22 1.32 0.00 -0.16 -4.82 121.76 113.72 1wdk s ALA 277 Ca 0.29 0.90 0.11 0.00 0.00 0.00 0.00 51.96 53.25 1wdk s ALA 277 Cb 0.01 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 1wdk s ALA 277 CO 0.13 -0.71 -0.16 0.20 0.00 0.00 0.00 175.76 175.22 1wdk s GLY 278 N -2.54 1.75 0.26 0.00 0.00 -1.26 -0.31 107.32 105.21 1wdk s GLY 278 Ca 0.04 -1.64 -0.04 0.00 0.00 0.00 0.00 44.72 43.08 1wdk s GLY 278 CO -0.10 -1.69 0.34 -1.34 0.00 0.00 0.00 173.10 170.31 1wdk s VAL 279 N -1.94 0.00 0.33 1.40 -7.23 -0.21 -4.93 120.40 107.82 1wdk s VAL 279 Ca 0.25 -1.72 -0.29 0.00 -1.81 0.00 0.00 61.98 58.42 1wdk s VAL 279 Cb -0.07 -2.44 -0.10 0.00 0.56 0.00 0.00 36.38 34.32 1wdk s VAL 279 CO 0.14 0.00 1.39 -1.81 -0.31 0.00 0.00 175.10 174.51 1wdk s ASP 280 N -3.15 6.62 0.24 4.85 1.01 -1.26 -4.38 116.67 120.60 1wdk s ASP 280 Ca 0.32 2.79 -0.06 0.00 0.71 0.00 0.00 52.55 56.31 1wdk s ASP 280 Cb 0.02 -2.65 0.44 0.00 1.01 0.00 0.00 42.92 41.74 1wdk s ASP 280 CO 0.15 -0.67 1.69 -0.65 0.21 0.00 0.00 175.17 175.90 1wdk h PRO 281 N 3.66 0.29 -1.04 8.23 0.11 -1.86 -2.24 132.00 139.14 1wdk h PRO 281 Ca -0.49 -0.02 0.27 0.00 0.11 0.00 0.00 66.00 65.87 1wdk h PRO 281 Cb 1.23 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.19 1wdk h PRO 281 CO 0.68 0.19 0.69 0.00 -0.21 0.00 0.00 178.00 179.34 1wdk h ALA 282 N 1.58 2.38 -1.23 -0.75 0.00 -1.91 -1.82 119.26 117.51 1wdk h ALA 282 Ca 0.40 0.04 -0.58 0.00 0.00 0.00 0.00 54.91 54.77 1wdk h ALA 282 Cb 0.66 0.03 -0.42 0.00 0.00 0.00 0.00 17.79 18.06 1wdk h ALA 282 CO -0.48 -0.76 -0.73 0.44 0.00 0.00 0.00 179.25 177.72 1wdk n ILE 283 N -4.54 2.45 -0.29 0.00 -5.35 -0.85 -4.38 119.36 106.40 1wdk n ILE 283 Ca 0.24 -4.66 0.17 0.00 -0.27 0.00 0.00 62.75 58.23 1wdk n ILE 283 Cb 0.91 -1.22 0.44 0.00 -1.74 0.00 0.00 39.64 38.03 1wdk n ILE 283 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wdk h MET 284 N 2.44 0.52 0.00 6.28 -0.00 -1.25 -0.99 114.93 121.93 1wdk h MET 284 Ca 0.33 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 60.00 1wdk h MET 284 Cb 1.13 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 32.61 1wdk h MET 284 CO 0.83 0.35 0.27 0.78 -0.00 0.00 0.00 176.91 179.13 1wdk h GLY 285 N 0.54 0.00 1.01 -3.00 0.00 -1.87 0.94 103.07 100.69 1wdk h GLY 285 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1wdk h GLY 285 CO -0.26 0.00 -0.08 2.98 0.00 0.00 0.00 176.54 179.18 1wdk n TYR 286 N -2.80 0.00 -0.34 5.60 9.36 -0.38 -4.33 117.16 124.28 1wdk n TYR 286 Ca -0.02 0.00 0.21 0.00 3.32 0.00 0.00 57.90 61.41 1wdk n TYR 286 Cb 0.31 -0.19 0.45 0.00 -0.63 0.00 0.00 39.34 39.28 1wdk n TYR 286 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1wdk h GLY 287 N 4.97 1.74 0.73 2.98 0.00 -0.98 -2.76 103.07 109.76 1wdk h GLY 287 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 47.33 47.20 1wdk h GLY 287 CO 0.00 -0.29 0.52 -2.55 0.00 0.00 0.00 176.54 174.23 1wdk h PRO 288 N 0.45 0.60 -0.20 4.80 0.11 -1.75 -2.91 132.00 133.09 1wdk h PRO 288 Ca 0.67 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.67 1wdk h PRO 288 Cb 1.48 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1wdk h PRO 288 CO -0.46 0.40 -0.16 -0.39 -0.21 0.00 0.00 178.00 177.18 1wdk h VAL 289 N 0.61 1.32 -0.79 3.15 -1.51 -1.84 0.16 116.25 117.36 1wdk h VAL 289 Ca 0.38 -1.28 -0.05 0.00 -1.23 0.00 0.00 66.70 64.52 1wdk h VAL 289 Cb 0.63 1.71 -0.03 0.00 -2.13 0.00 0.00 31.29 31.46 1wdk h VAL 289 CO -0.15 0.39 0.29 -0.65 -1.23 0.00 0.00 177.57 176.23 1wdk h PRO 290 N 0.15 1.19 -0.32 5.19 0.11 -1.71 -1.69 132.00 134.92 1wdk h PRO 290 Ca 0.04 -0.23 -0.10 0.00 0.11 0.00 0.00 66.00 65.82 1wdk h PRO 290 Cb 0.68 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1wdk h PRO 290 CO 0.04 0.98 -0.17 0.00 -0.21 0.00 0.00 178.00 178.64 1wdk h ALA 291 N 1.16 0.45 -0.55 -0.75 0.00 -1.47 -2.63 119.26 115.48 1wdk h ALA 291 Ca 0.26 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1wdk h ALA 291 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1wdk h ALA 291 CO -0.02 0.37 0.08 1.15 0.00 0.00 0.00 179.25 180.83 1wdk h THR 292 N 0.45 1.24 -0.39 0.00 2.02 -0.58 -1.06 112.91 114.59 1wdk h THR 292 Ca 0.07 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 1wdk h THR 292 Cb 0.71 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1wdk h THR 292 CO 0.05 0.34 0.11 1.56 0.37 0.00 0.00 175.52 177.95 1wdk h GLN 293 N 0.83 0.62 -0.57 6.66 4.20 -1.25 0.01 115.11 125.60 1wdk h GLN 293 Ca 0.17 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 1wdk h GLN 293 Cb 0.38 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1wdk h GLN 293 CO 0.01 0.63 0.07 -0.22 -0.67 0.00 0.00 178.83 178.65 1wdk h LYS 294 N 0.49 0.93 -0.22 1.46 3.64 -1.20 -1.83 116.57 119.83 1wdk h LYS 294 Ca 0.12 -0.24 -0.18 0.00 -1.27 0.00 0.00 60.65 59.09 1wdk h LYS 294 Cb 0.28 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1wdk h LYS 294 CO -0.00 0.87 -0.58 0.00 -2.27 0.00 0.00 179.45 177.47 1wdk h ALA 295 N 1.20 0.54 -0.55 5.00 0.00 -0.99 -2.11 119.26 122.35 1wdk h ALA 295 Ca 0.18 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1wdk h ALA 295 Cb 0.42 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1wdk h ALA 295 CO 0.01 0.69 -0.04 -0.07 0.00 0.00 0.00 179.25 179.84 1wdk h LEU 296 N 0.55 0.96 -0.42 0.00 3.38 -0.85 -1.04 115.31 117.88 1wdk h LEU 296 Ca 0.00 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1wdk h LEU 296 Cb 1.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1wdk h LEU 296 CO 0.12 1.03 0.10 0.50 0.09 0.00 0.00 178.44 180.29 1wdk h LYS 297 N 0.89 0.66 0.00 1.13 3.64 -1.24 -1.23 116.57 120.42 1wdk h LYS 297 Ca 0.15 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1wdk h LYS 297 Cb 0.57 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1wdk h LYS 297 CO 0.03 0.68 -0.15 0.00 -2.27 0.00 0.00 179.45 177.73 1wdk h ARG 298 N 0.53 0.00 -0.00 1.90 3.08 -1.14 -1.50 114.38 117.25 1wdk h ARG 298 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1wdk h ARG 298 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1wdk h ARG 298 CO 0.00 0.15 -0.28 0.00 -1.07 0.00 0.00 179.97 178.78 1wdk n ALA 299 N -2.37 3.08 -2.13 0.04 0.00 -0.42 -4.88 120.51 113.83 1wdk n ALA 299 Ca -0.02 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 52.96 1wdk n ALA 299 Cb 0.25 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 1wdk n ALA 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wdk n GLY 300 N 1.40 0.05 3.66 0.00 0.00 -0.56 -5.01 105.19 104.73 1wdk n GLY 300 Ca 0.10 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1wdk n GLY 300 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wdk s LEU 301 N -3.98 2.60 0.20 0.99 1.43 -0.59 -5.04 118.68 114.28 1wdk s LEU 301 Ca 0.00 -1.48 0.11 0.00 -1.03 0.00 0.00 54.13 51.72 1wdk s LEU 301 Cb 0.00 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 1wdk s LEU 301 CO 0.00 -0.62 -0.18 0.20 0.23 0.00 0.00 176.35 175.98 1wdk s ASN 302 N -3.75 3.75 0.54 2.29 0.01 -1.26 -4.40 114.94 112.11 1wdk s ASN 302 Ca 0.24 -0.78 0.32 0.00 -0.71 0.00 0.00 52.86 51.94 1wdk s ASN 302 Cb 0.07 -0.43 1.50 0.00 0.41 0.00 0.00 41.25 42.80 1wdk s ASN 302 CO 0.12 0.11 1.88 -0.03 -1.51 0.00 0.00 177.10 177.67 1wdk h MET 303 N 3.00 0.00 -0.01 -0.60 1.85 -1.96 0.11 114.93 117.32 1wdk h MET 303 Ca -0.46 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 58.53 1wdk h MET 303 Cb 1.21 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.23 1wdk h MET 303 CO 0.51 0.00 -0.47 0.00 -0.40 0.00 0.00 176.91 176.55 1wdk h ALA 304 N 1.53 1.21 0.00 0.39 0.00 -1.96 -2.85 119.26 117.59 1wdk h ALA 304 Ca 0.45 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wdk h ALA 304 Cb 1.79 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1wdk h ALA 304 CO -0.00 0.59 0.00 -0.44 0.00 0.00 0.00 179.25 179.39 1wdk h ASP 305 N 0.02 0.00 -3.24 0.00 3.32 -1.17 -3.43 116.42 111.92 1wdk h ASP 305 Ca -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.46 1wdk h ASP 305 Cb 0.83 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.31 1wdk h ASP 305 CO 0.06 0.00 0.54 -0.63 -1.72 0.00 0.00 179.24 177.49 1wdk s ILE 306 N -3.40 4.81 0.03 0.35 1.01 -1.08 -4.54 121.20 118.38 1wdk s ILE 306 Ca 0.03 1.75 -0.15 0.00 0.00 0.00 0.00 60.65 62.28 1wdk s ILE 306 Cb 0.09 -4.19 -0.35 0.00 0.01 0.00 0.00 42.46 38.02 1wdk s ILE 306 CO 0.41 -0.06 0.98 0.44 0.00 0.00 0.00 174.94 176.71 1wdk h ASP 307 N 7.46 0.83 -4.46 3.58 3.32 -1.39 -3.47 116.42 122.29 1wdk h ASP 307 Ca -0.25 -0.90 -0.32 0.00 0.02 0.00 0.00 57.03 55.59 1wdk h ASP 307 Cb 1.10 -0.27 -0.24 0.00 0.22 0.00 0.00 39.33 40.15 1wdk h ASP 307 CO 0.89 1.71 -0.75 -0.36 -1.72 0.00 0.00 179.24 179.01 1wdk s PHE 308 N -2.60 0.71 -0.01 4.55 0.40 -1.10 -4.63 117.98 115.30 1wdk s PHE 308 Ca -0.09 -0.37 0.04 0.00 -0.60 0.00 0.00 56.93 55.92 1wdk s PHE 308 Cb 0.04 -0.43 -0.01 0.00 0.51 0.00 0.00 43.02 43.13 1wdk s PHE 308 CO 0.94 -0.04 -0.14 0.42 0.70 0.00 0.00 175.22 177.09 1wdk s ILE 309 N -0.96 1.14 -0.24 0.64 1.01 0.29 -1.39 121.20 121.68 1wdk s ILE 309 Ca -0.05 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1wdk s ILE 309 Cb -0.08 -0.96 0.06 0.00 0.01 0.00 0.00 42.46 41.50 1wdk s ILE 309 CO 0.00 0.29 -0.08 -1.61 0.00 0.00 0.00 174.94 173.55 1wdk s GLU 310 N -0.41 1.85 -0.18 2.79 0.41 0.49 -1.11 118.70 122.52 1wdk s GLU 310 Ca 0.05 -1.07 -0.01 0.00 -0.41 0.00 0.00 54.97 53.53 1wdk s GLU 310 Cb -0.06 -2.65 0.00 0.00 -1.78 0.00 0.00 34.13 29.64 1wdk s GLU 310 CO -0.00 -0.57 -0.12 -1.17 -0.49 0.00 0.00 175.26 172.90 1wdk s LEU 311 N 1.31 2.55 0.23 1.80 2.96 -1.26 -0.84 118.68 125.44 1wdk s LEU 311 Ca -0.06 -0.48 -0.31 0.00 -0.22 0.00 0.00 54.13 53.06 1wdk s LEU 311 Cb -0.19 -1.61 -0.11 0.00 0.50 0.00 0.00 46.19 44.79 1wdk s LEU 311 CO -0.06 0.03 1.54 0.21 -1.32 0.00 0.00 176.35 176.75 1wdk s ASN 312 N 1.17 6.53 -1.21 3.68 2.47 -0.91 -4.85 114.94 121.82 1wdk s ASN 312 Ca 0.01 2.75 -0.12 0.00 0.42 0.00 0.00 52.86 55.92 1wdk s ASN 312 Cb -0.14 -2.62 0.19 0.00 -1.45 0.00 0.00 41.25 37.23 1wdk s ASN 312 CO -0.05 -0.82 1.47 -0.62 -3.72 0.00 0.00 177.10 173.36 1wdk n GLU 313 N 2.92 3.48 -0.03 0.43 1.02 -1.26 -4.77 120.64 122.43 1wdk n GLU 313 Ca 0.10 -3.91 -0.13 0.00 -0.02 0.00 0.00 57.16 53.20 1wdk n GLU 313 Cb 0.38 -2.93 -0.08 0.00 -0.02 0.00 0.00 31.44 28.79 1wdk n GLU 313 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wdk h ALA 314 N 6.77 0.09 -2.69 0.62 0.00 -1.93 -3.31 119.26 118.80 1wdk h ALA 314 Ca 0.31 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1wdk h ALA 314 Cb 0.82 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.35 1wdk h ALA 314 CO 1.28 -0.14 -0.22 -0.06 0.00 0.00 0.00 179.25 180.10 1wdk s PHE 315 N -4.46 -0.43 0.33 0.00 0.08 -1.26 -0.83 117.98 111.41 1wdk s PHE 315 Ca -0.15 1.03 0.02 0.00 0.12 0.00 0.00 56.93 57.95 1wdk s PHE 315 Cb 0.03 0.16 0.59 0.00 -0.57 0.00 0.00 43.02 43.23 1wdk s PHE 315 CO 0.70 -0.24 1.95 0.00 -0.10 0.00 0.00 175.22 177.53 1wdk h ALA 316 N 5.28 1.56 -0.18 5.36 0.00 -1.57 -0.78 119.26 128.92 1wdk h ALA 316 Ca -0.27 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1wdk h ALA 316 Cb 1.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1wdk h ALA 316 CO 0.26 0.35 0.19 0.00 0.00 0.00 0.00 179.25 180.05 1wdk h ALA 317 N 1.55 1.85 0.00 0.00 0.00 -1.90 -1.52 119.26 119.24 1wdk h ALA 317 Ca 0.32 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.95 1wdk h ALA 317 Cb 0.10 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1wdk h ALA 317 CO -0.10 -0.28 -2.18 0.00 0.00 0.00 0.00 179.25 176.69 1wdk n GLN 318 N -3.90 0.96 -0.05 0.00 -0.00 -0.48 -4.04 117.38 109.87 1wdk n GLN 318 Ca 0.02 -0.04 -0.12 0.00 -0.00 0.00 0.00 57.00 56.85 1wdk n GLN 318 Cb 0.31 -1.46 -0.07 0.00 -0.00 0.00 0.00 30.24 29.02 1wdk n GLN 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wdk h ALA 319 N 1.05 0.21 -0.32 2.61 0.00 -0.73 -2.94 119.26 119.15 1wdk h ALA 319 Ca -0.40 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.26 1wdk h ALA 319 Cb 1.90 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1wdk h ALA 319 CO 0.02 -0.01 0.19 -0.07 0.00 0.00 0.00 179.25 179.39 1wdk h LEU 320 N -0.02 0.32 -0.82 0.00 3.38 -1.53 -1.30 115.31 115.34 1wdk h LEU 320 Ca 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1wdk h LEU 320 Cb 0.51 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1wdk h LEU 320 CO 0.02 0.24 0.47 -0.65 0.09 0.00 0.00 178.44 178.60 1wdk h PRO 321 N 0.40 1.14 -0.40 1.13 0.11 -1.76 -1.25 132.00 131.38 1wdk h PRO 321 Ca 0.12 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1wdk h PRO 321 Cb -0.02 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.84 1wdk h PRO 321 CO -0.05 0.83 0.24 0.28 -0.21 0.00 0.00 178.00 179.09 1wdk h VAL 322 N 1.14 1.13 -0.78 3.15 2.07 -1.31 -0.80 116.25 120.85 1wdk h VAL 322 Ca 0.29 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1wdk h VAL 322 Cb 0.01 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1wdk h VAL 322 CO -0.05 0.13 0.43 -0.07 0.02 0.00 0.00 177.57 178.03 1wdk h LEU 323 N 0.52 0.98 0.33 2.57 3.38 -0.85 0.21 115.31 122.46 1wdk h LEU 323 Ca 0.14 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1wdk h LEU 323 Cb -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1wdk h LEU 323 CO -0.03 0.79 -0.16 0.50 0.09 0.00 0.00 178.44 179.64 1wdk h LYS 324 N 1.08 -0.43 0.00 1.13 3.64 -0.93 -1.61 116.57 119.45 1wdk h LYS 324 Ca 0.27 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1wdk h LYS 324 Cb 0.03 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1wdk h LYS 324 CO -0.04 -0.19 0.00 -0.44 -2.27 0.00 0.00 179.45 176.51 1wdk h ASP 325 N -0.61 0.00 0.67 4.20 5.19 -0.98 0.24 116.42 125.13 1wdk h ASP 325 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1wdk h ASP 325 Cb 0.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1wdk h ASP 325 CO 0.08 0.00 -0.21 0.18 -3.12 0.00 0.00 179.24 176.16 1wdk n LEU 326 N -2.83 0.30 -2.68 1.55 4.77 0.74 -4.95 117.00 113.90 1wdk n LEU 326 Ca -0.00 0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 56.03 1wdk n LEU 326 Cb 0.20 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1wdk n LEU 326 CO 0.22 0.07 0.12 0.29 -1.33 0.00 0.00 177.39 176.76 1wdk n LYS 327 N -1.37 -5.05 -0.22 3.23 5.02 0.84 -4.94 118.16 115.66 1wdk n LYS 327 Ca 0.08 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1wdk n LYS 327 Cb 0.32 -4.86 0.00 0.00 -0.02 0.00 0.00 35.03 30.47 1wdk n LYS 327 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1wdk n VAL 328 N -3.65 0.00 -0.31 -0.18 0.24 -0.72 -4.88 118.33 108.83 1wdk n VAL 328 Ca -0.11 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.16 1wdk n VAL 328 Cb 0.59 0.73 0.10 0.00 -1.47 0.00 0.00 33.84 33.78 1wdk n VAL 328 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1wdk h LEU 329 N 0.00 0.94 0.00 1.34 6.46 -1.83 0.42 115.31 122.64 1wdk h LEU 329 Ca 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1wdk h LEU 329 Cb 1.17 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 1wdk h LEU 329 CO 0.00 0.66 0.00 -0.90 -0.62 0.00 0.00 178.44 177.58 1wdk n ASP 330 N -4.53 0.00 -0.70 1.25 5.75 -1.26 -1.99 116.55 115.07 1wdk n ASP 330 Ca 0.10 0.44 0.09 0.00 -0.01 0.00 0.00 54.79 55.41 1wdk n ASP 330 Cb 0.05 -0.47 0.07 0.00 -1.03 0.00 0.00 41.12 39.73 1wdk n ASP 330 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1wdk n LYS 331 N -1.47 1.61 -0.28 0.11 4.76 0.06 -4.75 118.16 118.20 1wdk n LYS 331 Ca 0.05 -1.50 -0.09 0.00 -2.87 0.00 0.00 58.31 53.90 1wdk n LYS 331 Cb 0.20 -1.36 -0.07 0.00 -1.84 0.00 0.00 35.03 31.96 1wdk n LYS 331 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 1wdk h MET 332 N 3.42 -0.05 0.00 1.97 4.05 -0.71 0.20 114.93 123.80 1wdk h MET 332 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1wdk h MET 332 Cb 0.76 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.57 1wdk h MET 332 CO 0.00 -0.04 0.00 0.09 0.23 0.00 0.00 176.91 177.19 1wdk n ASN 333 N -4.69 0.00 -0.05 1.39 3.02 -1.26 -0.48 115.26 113.19 1wdk n ASN 333 Ca 0.01 0.20 -0.04 0.00 -0.03 0.00 0.00 54.58 54.72 1wdk n ASN 333 Cb 0.21 -0.34 -0.15 0.00 -0.61 0.00 0.00 39.78 38.89 1wdk n ASN 333 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1wdk n GLU 334 N -1.34 0.67 0.00 3.52 2.13 -0.04 -4.81 120.64 120.77 1wdk n GLU 334 Ca 0.05 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1wdk n GLU 334 Cb 0.11 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.23 1wdk n GLU 334 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1wdk n LYS 335 N -2.70 0.00 -4.36 5.31 2.85 -0.64 -4.98 118.16 113.65 1wdk n LYS 335 Ca -0.22 -0.11 -0.34 0.00 -1.05 0.00 0.00 58.31 56.59 1wdk n LYS 335 Cb 0.98 -0.24 -0.12 0.00 -0.65 0.00 0.00 35.03 35.00 1wdk n LYS 335 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1wdk s VAL 336 N 0.00 3.90 -1.19 0.58 1.01 0.37 0.10 120.40 125.18 1wdk s VAL 336 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 1wdk s VAL 336 Cb 0.00 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.69 1wdk s VAL 336 CO 0.00 0.49 0.34 0.59 0.00 0.00 0.00 175.10 176.51 1wdk n ASN 337 N 3.62 -1.66 0.29 3.32 4.13 -0.27 -4.76 115.26 119.93 1wdk n ASN 337 Ca -0.17 -1.14 0.14 0.00 1.68 0.00 0.00 54.58 55.09 1wdk n ASN 337 Cb 0.52 -1.38 0.86 0.00 -1.54 0.00 0.00 39.78 38.24 1wdk n ASN 337 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1wdk h LEU 338 N -1.73 0.00 -3.45 3.41 3.38 -1.84 -2.34 115.31 112.75 1wdk h LEU 338 Ca -0.60 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.27 1wdk h LEU 338 Cb 1.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 1wdk h LEU 338 CO 0.52 0.03 0.07 1.41 0.09 0.00 0.00 178.44 180.56 1wdk n HIS 339 N -3.86 1.54 0.00 1.13 8.25 -1.26 -4.81 115.22 116.21 1wdk n HIS 339 Ca -0.03 -1.07 0.00 0.00 -0.26 0.00 0.00 57.72 56.36 1wdk n HIS 339 Cb 0.11 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.75 1wdk n HIS 339 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wdk n GLY 340 N -0.38 0.59 0.00 -1.41 0.00 -0.88 -3.52 105.19 99.59 1wdk n GLY 340 Ca 0.30 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1wdk n GLY 340 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wdk n GLY 341 N 0.97 4.73 0.33 -0.02 0.00 -1.26 -4.83 105.19 105.11 1wdk n GLY 341 Ca 0.00 -1.67 0.17 0.00 0.00 0.00 0.00 46.02 44.52 1wdk n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdk h ALA 342 N 1.00 1.77 -0.21 4.61 0.00 -1.79 0.45 119.26 125.09 1wdk h ALA 342 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1wdk h ALA 342 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wdk h ALA 342 CO 0.00 -0.26 -0.09 0.82 0.00 0.00 0.00 179.25 179.71 1wdk h ILE 343 N 0.00 1.19 0.00 0.00 2.04 -1.83 0.26 117.51 119.16 1wdk h ILE 343 Ca 0.08 -0.80 -0.29 0.00 1.00 0.00 0.00 64.86 64.85 1wdk h ILE 343 Cb 0.44 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 1wdk h ILE 343 CO -0.00 0.26 -2.11 0.00 0.00 0.00 0.00 178.15 176.30 1wdk n ALA 344 N -2.49 1.60 0.93 1.87 0.00 -0.39 -4.50 120.51 117.52 1wdk n ALA 344 Ca -0.00 -1.02 0.11 0.00 0.00 0.00 0.00 53.44 52.53 1wdk n ALA 344 Cb 0.26 -0.07 0.09 0.00 0.00 0.00 0.00 19.45 19.74 1wdk n ALA 344 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wdk n LEU 345 N -2.69 0.69 0.00 0.00 4.77 0.14 -2.34 117.00 117.57 1wdk n LEU 345 Ca -0.28 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1wdk n LEU 345 Cb 0.99 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1wdk n LEU 345 CO 0.31 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1wdk n GLY 346 N 1.48 -0.71 2.58 -0.72 0.00 0.90 -4.85 105.19 103.86 1wdk n GLY 346 Ca 0.04 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.17 1wdk n GLY 346 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wdk n HIS 347 N -0.42 1.33 -2.53 1.61 -0.00 -0.89 -4.49 115.22 109.83 1wdk n HIS 347 Ca 0.00 -3.84 -0.41 0.00 0.46 0.00 0.00 57.72 53.94 1wdk n HIS 347 Cb 0.00 -0.25 -0.03 0.00 -0.12 0.00 0.00 29.99 29.59 1wdk n HIS 347 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 1wdk s PRO 348 N -0.97 3.18 0.00 1.57 0.02 -1.26 -4.67 135.00 132.88 1wdk s PRO 348 Ca 0.31 -0.25 0.00 0.00 0.02 0.00 0.00 61.00 61.08 1wdk s PRO 348 Cb 0.03 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 30.31 1wdk s PRO 348 CO -0.16 -2.18 0.13 1.19 -0.33 0.00 0.00 177.00 175.65 1wdk n PHE 349 N 9.50 0.00 -0.34 6.54 0.99 -1.26 -0.38 117.46 132.51 1wdk n PHE 349 Ca 0.05 0.00 0.24 0.00 -0.00 0.00 0.00 57.45 57.74 1wdk n PHE 349 Cb 0.49 -0.03 0.50 0.00 -1.00 0.00 0.00 39.48 39.45 1wdk n PHE 349 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1wdk h GLY 350 N 0.00 1.38 1.79 1.37 0.00 -1.80 -2.61 103.07 103.20 1wdk h GLY 350 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 47.33 46.87 1wdk h GLY 350 CO 0.00 -0.20 -1.14 0.00 0.00 0.00 0.00 176.54 175.19 1wdk h SER 352 N 0.03 -0.25 -0.39 0.00 0.02 -0.92 -2.17 113.55 109.86 1wdk h SER 352 Ca -0.08 0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1wdk h SER 352 Cb 1.87 0.23 -0.09 0.00 0.14 0.00 0.00 62.40 64.55 1wdk h SER 352 CO 0.16 -0.09 -0.41 1.23 -1.14 0.00 0.00 176.83 176.58 1wdk h GLY 353 N 0.10 -0.50 2.00 -3.77 0.00 -1.75 -0.95 103.07 98.20 1wdk h GLY 353 Ca 0.26 0.52 -0.14 0.00 0.00 0.00 0.00 47.33 47.97 1wdk h GLY 353 CO -0.45 -0.19 -0.66 0.00 0.00 0.00 0.00 176.54 175.24 1wdk h ALA 354 N 0.48 0.85 0.77 3.60 0.00 -1.69 -3.17 119.26 120.10 1wdk h ALA 354 Ca 0.14 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1wdk h ALA 354 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wdk h ALA 354 CO -0.56 0.83 -0.39 -0.09 0.00 0.00 0.00 179.25 179.04 1wdk h ARG 355 N 0.00 -1.02 -0.16 0.00 1.12 -0.57 0.19 114.38 113.94 1wdk h ARG 355 Ca -0.01 0.07 0.05 0.00 -1.11 0.00 0.00 59.98 58.98 1wdk h ARG 355 Cb 1.21 0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 31.40 1wdk h ARG 355 CO 0.09 -0.68 0.13 -0.84 -3.11 0.00 0.00 179.97 175.55 1wdk h ILE 356 N -1.06 0.77 -0.32 1.20 3.07 -1.34 0.12 117.51 119.96 1wdk h ILE 356 Ca -0.10 0.00 -0.16 0.00 1.55 0.00 0.00 64.86 66.14 1wdk h ILE 356 Cb 0.82 0.91 -0.01 0.00 -0.27 0.00 0.00 36.82 38.27 1wdk h ILE 356 CO 0.16 0.00 -0.45 0.28 -1.05 0.00 0.00 178.15 177.09 1wdk h SER 357 N 0.00 0.88 0.05 2.16 0.02 -1.44 -0.90 113.55 114.32 1wdk h SER 357 Ca 0.08 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1wdk h SER 357 Cb 0.33 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1wdk h SER 357 CO -0.00 1.20 -0.02 1.23 -1.14 0.00 0.00 176.83 178.09 1wdk h GLY 358 N 0.84 -0.07 1.23 -3.77 0.00 0.18 -2.21 103.07 99.27 1wdk h GLY 358 Ca 0.04 0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.47 1wdk h GLY 358 CO 0.10 -0.03 0.34 -0.84 0.00 0.00 0.00 176.54 176.12 1wdk h THR 359 N -0.39 0.94 -0.04 4.70 2.02 -1.05 -1.84 112.91 117.25 1wdk h THR 359 Ca -0.01 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1wdk h THR 359 Cb 0.35 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1wdk h THR 359 CO 0.01 0.07 0.02 0.25 0.37 0.00 0.00 175.52 176.24 1wdk h LEU 360 N 0.40 0.05 -0.60 2.58 5.85 -0.89 -0.80 115.31 121.90 1wdk h LEU 360 Ca 0.23 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1wdk h LEU 360 Cb 0.39 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1wdk h LEU 360 CO -0.06 0.20 0.29 -0.07 -0.34 0.00 0.00 178.44 178.47 1wdk h LEU 361 N -0.10 0.40 -1.09 2.25 3.38 -0.73 0.14 115.31 119.55 1wdk h LEU 361 Ca 0.01 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1wdk h LEU 361 Cb 0.17 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1wdk h LEU 361 CO -0.00 0.26 -0.34 0.78 0.09 0.00 0.00 178.44 179.23 1wdk h ASN 362 N 0.54 0.21 -0.44 -0.43 2.35 -1.30 -0.07 115.58 116.44 1wdk h ASN 362 Ca 0.28 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 1wdk h ASN 362 Cb 0.23 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1wdk h ASN 362 CO -0.21 0.54 0.00 0.58 -1.65 0.00 0.00 177.43 176.69 1wdk h VAL 363 N 0.18 1.26 -0.60 2.81 2.07 0.20 -1.32 116.25 120.86 1wdk h VAL 363 Ca 0.02 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 1wdk h VAL 363 Cb 0.69 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1wdk h VAL 363 CO 0.05 0.35 0.19 0.24 0.02 0.00 0.00 177.57 178.42 1wdk h MET 364 N 0.61 0.94 -0.38 1.57 2.86 -0.33 -1.78 114.93 118.42 1wdk h MET 364 Ca 0.12 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 1wdk h MET 364 Cb 0.49 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1wdk h MET 364 CO 0.02 0.84 0.02 -0.22 1.06 0.00 0.00 176.91 178.63 1wdk h LYS 365 N 0.86 0.67 -0.06 1.72 3.64 -0.88 0.10 116.57 122.62 1wdk h LYS 365 Ca 0.19 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1wdk h LYS 365 Cb 0.29 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1wdk h LYS 365 CO -0.01 0.76 -0.37 1.96 -2.27 0.00 0.00 179.45 179.52 1wdk h GLN 366 N 0.49 0.12 -0.31 1.90 4.20 -1.15 -3.23 115.11 117.14 1wdk h GLN 366 Ca 0.11 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1wdk h GLN 366 Cb 0.44 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1wdk h GLN 366 CO 0.02 0.48 0.00 0.09 -0.67 0.00 0.00 178.83 178.75 1wdk n ASN 367 N -4.08 3.65 -2.79 1.46 3.02 -0.68 -4.99 115.26 110.86 1wdk n ASN 367 Ca -0.02 -2.66 -0.21 0.00 -0.03 0.00 0.00 54.58 51.66 1wdk n ASN 367 Cb 0.43 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 39.18 1wdk n ASN 367 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wdk n GLY 368 N -0.09 -0.45 3.82 7.41 0.00 -0.64 -4.99 105.19 110.26 1wdk n GLY 368 Ca 0.18 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 1wdk n GLY 368 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wdk s GLY 369 N -2.67 2.15 -0.20 -0.02 0.00 0.27 -5.00 107.32 101.84 1wdk s GLY 369 Ca 0.26 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 45.24 1wdk s GLY 369 CO 0.32 0.59 -0.22 2.41 0.00 0.00 0.00 173.10 176.21 1wdk n THR 370 N -1.59 1.14 -5.22 0.90 -1.04 -1.26 -4.56 114.28 102.66 1wdk n THR 370 Ca 0.07 -0.38 -0.31 0.00 -2.04 0.00 0.00 64.05 61.40 1wdk n THR 370 Cb 0.54 -1.44 -0.16 0.00 -1.82 0.00 0.00 70.33 67.44 1wdk n THR 370 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1wdk s PHE 371 N -2.39 2.31 0.08 -1.42 0.40 -1.26 -0.19 117.98 115.51 1wdk s PHE 371 Ca -0.28 -0.63 0.05 0.00 -0.60 0.00 0.00 56.93 55.47 1wdk s PHE 371 Cb 0.09 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 42.07 1wdk s PHE 371 CO 0.42 -0.17 -0.13 0.20 0.70 0.00 0.00 175.22 176.25 1wdk s GLY 372 N -0.24 0.86 -0.09 4.36 0.00 0.94 -1.10 107.32 112.04 1wdk s GLY 372 Ca -0.00 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1wdk s GLY 372 CO 0.02 -1.10 -0.08 -2.27 0.00 0.00 0.00 173.10 169.68 1wdk s LEU 373 N -1.97 1.25 -0.09 0.66 2.96 -0.49 -0.11 118.68 120.88 1wdk s LEU 373 Ca 0.00 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1wdk s LEU 373 Cb -0.08 -0.76 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 1wdk s LEU 373 CO 0.02 -0.08 -0.16 -0.94 -1.32 0.00 0.00 176.35 173.86 1wdk s SER 374 N 1.39 3.77 0.05 3.68 1.04 -0.78 -0.38 113.70 122.47 1wdk s SER 374 Ca -0.02 -0.35 -0.21 0.00 0.48 0.00 0.00 55.95 55.86 1wdk s SER 374 Cb -0.13 -1.28 0.05 0.00 0.10 0.00 0.00 66.02 64.76 1wdk s SER 374 CO -0.04 0.22 0.49 0.28 0.98 0.00 0.00 173.24 175.17 1wdk s THR 375 N -0.01 0.04 0.15 2.02 -1.32 -0.02 -1.12 115.64 115.38 1wdk s THR 375 Ca -0.05 -0.31 -0.18 0.00 -1.21 0.00 0.00 61.69 59.93 1wdk s THR 375 Cb -0.14 -0.98 0.04 0.00 -1.51 0.00 0.00 72.50 69.91 1wdk s THR 375 CO 0.04 -0.17 0.48 0.00 -2.21 0.00 0.00 174.62 172.76 1wdk s MET 376 N -2.54 1.19 0.29 7.08 0.23 -0.84 -2.15 119.30 122.56 1wdk s MET 376 Ca -0.05 -0.68 -0.08 0.00 -1.03 0.00 0.00 55.69 53.86 1wdk s MET 376 Cb -0.01 0.51 -0.06 0.00 -1.53 0.00 0.00 34.83 33.74 1wdk s MET 376 CO -0.03 -0.49 0.60 0.00 -2.03 0.00 0.00 175.02 173.07 1wdk s ILE 378 N -2.03 1.29 0.55 0.00 1.01 0.16 -4.64 121.20 117.53 1wdk s ILE 378 Ca 0.47 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 60.34 1wdk s ILE 378 Cb -0.11 -1.14 -0.09 0.00 0.01 0.00 0.00 42.46 41.14 1wdk s ILE 378 CO 0.26 0.38 0.59 0.61 0.00 0.00 0.00 174.94 176.79 1wdk n GLY 379 N 3.52 -1.33 2.26 6.18 0.00 -1.26 -1.81 105.19 112.76 1wdk n GLY 379 Ca -0.21 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1wdk n GLY 379 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wdk n LEU 380 N 0.44 -1.44 -1.38 0.99 7.99 -1.26 -4.37 117.00 117.98 1wdk n LEU 380 Ca 0.12 0.05 -0.00 0.00 -0.01 0.00 0.00 56.01 56.17 1wdk n LEU 380 Cb 0.46 -1.96 0.00 0.00 -0.11 0.00 0.00 43.42 41.81 1wdk n LEU 380 CO 0.51 -0.24 0.00 0.61 -1.51 0.00 0.00 177.39 176.77 1wdk n GLY 381 N -1.10 0.80 3.32 -0.72 0.00 -1.09 -4.41 105.19 102.00 1wdk n GLY 381 Ca -0.14 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 1wdk n GLY 381 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wdk s GLN 382 N -3.25 1.18 0.01 1.61 -0.21 -0.75 -1.04 119.66 117.20 1wdk s GLN 382 Ca 0.00 -1.30 -0.10 0.00 0.02 0.00 0.00 55.36 53.98 1wdk s GLN 382 Cb -0.00 0.35 0.01 0.00 1.00 0.00 0.00 33.01 34.37 1wdk s GLN 382 CO 0.00 -0.42 0.20 0.20 -2.12 0.00 0.00 175.29 173.15 1wdk s GLY 383 N -3.02 -0.01 0.02 3.09 0.00 0.57 0.37 107.32 108.34 1wdk s GLY 383 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1wdk s GLY 383 CO 0.03 -0.22 -0.03 -1.50 0.00 0.00 0.00 173.10 171.38 1wdk s ILE 384 N -1.69 0.13 0.03 0.90 2.07 -0.97 -0.99 121.20 120.66 1wdk s ILE 384 Ca -0.12 -0.90 -0.17 0.00 -1.41 0.00 0.00 60.65 58.05 1wdk s ILE 384 Cb -0.05 -0.27 0.03 0.00 0.13 0.00 0.00 42.46 42.30 1wdk s ILE 384 CO 0.01 -0.48 0.37 0.00 -1.91 0.00 0.00 174.94 172.93 1wdk s ALA 385 N -1.43 -0.90 -0.02 1.50 0.00 0.53 -1.99 121.76 119.45 1wdk s ALA 385 Ca -0.15 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 1wdk s ALA 385 Cb -0.10 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1wdk s ALA 385 CO -0.01 -0.40 0.04 0.99 0.00 0.00 0.00 175.76 176.39 1wdk s THR 386 N -2.17 0.00 -0.18 0.00 2.01 -0.27 -1.68 115.64 113.35 1wdk s THR 386 Ca -0.07 -0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 1wdk s THR 386 Cb -0.02 -0.07 -0.01 0.00 0.01 0.00 0.00 72.50 72.41 1wdk s THR 386 CO -0.00 -0.01 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.13 1wdk s VAL 387 N 0.01 3.06 0.13 3.82 1.01 -0.47 -1.87 120.40 126.08 1wdk s VAL 387 Ca -0.00 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1wdk s VAL 387 Cb -0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1wdk s VAL 387 CO 0.00 0.48 -0.04 -0.36 0.00 0.00 0.00 175.10 175.18 1wdk s PHE 388 N 0.97 2.82 -0.04 5.22 0.40 0.84 -0.62 117.98 127.57 1wdk s PHE 388 Ca -0.01 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 1wdk s PHE 388 Cb -0.15 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 41.97 1wdk s PHE 388 CO -0.01 0.48 -0.09 -2.00 0.70 0.00 0.00 175.22 174.30 1wdk s GLU 389 N -2.53 1.09 -0.40 0.44 2.12 -0.07 -0.04 118.70 119.31 1wdk s GLU 389 Ca 0.25 -0.28 -0.16 0.00 0.36 0.00 0.00 54.97 55.14 1wdk s GLU 389 Cb -0.10 -0.99 0.01 0.00 0.26 0.00 0.00 34.13 33.31 1wdk s GLU 389 CO 0.16 0.05 0.39 1.03 -0.54 0.00 0.00 175.26 176.35 1wdk s ARG 390 N 0.47 3.19 0.00 4.30 1.81 0.73 -1.23 118.95 128.21 1wdk s ARG 390 Ca -0.08 -0.73 0.00 0.00 -1.72 0.00 0.00 55.73 53.20 1wdk s ARG 390 Cb -0.12 -3.93 0.00 0.00 -0.45 0.00 0.00 34.95 30.45 1wdk s ARG 390 CO 0.01 -0.75 0.04 1.55 -0.68 0.00 0.00 175.30 175.48