#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 3.99 0.53 2.46 1.43 -1.26 -5.08 118.68 120.75 1wdk s LEU 3 Ca 0.00 0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.00 1wdk s LEU 3 Cb 0.00 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 1wdk s LEU 3 CO 0.00 0.11 1.09 0.20 0.23 0.00 0.00 176.35 177.98 1wdk s ASN 4 N 0.77 5.93 0.29 2.29 0.02 -1.26 -4.93 114.94 118.06 1wdk s ASN 4 Ca 0.06 2.05 0.04 0.00 -1.02 0.00 0.00 52.86 53.99 1wdk s ASN 4 Cb -0.13 -2.57 0.71 0.00 0.02 0.00 0.00 41.25 39.28 1wdk s ASN 4 CO 0.02 -1.07 1.71 -0.65 0.02 0.00 0.00 177.10 177.13 1wdk h PRO 5 N 1.22 0.46 -0.40 -0.60 0.11 -1.98 -0.99 132.00 129.83 1wdk h PRO 5 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1wdk h PRO 5 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1wdk h PRO 5 CO 0.58 0.30 0.00 0.54 -0.21 0.00 0.00 178.00 179.21 1wdk n ARG 6 N -4.98 1.87 -1.70 1.05 5.12 -1.26 -1.62 116.66 115.13 1wdk n ARG 6 Ca 0.22 -1.16 -0.33 0.00 -1.93 0.00 0.00 57.85 54.65 1wdk n ARG 6 Cb 0.62 -1.34 0.05 0.00 -1.16 0.00 0.00 32.46 30.64 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 -0.89 4.97 -0.26 0.55 1.01 -0.38 -4.02 116.67 117.65 1wdk s ASP 7 Ca 0.21 2.04 -0.13 0.00 0.71 0.00 0.00 52.55 55.38 1wdk s ASP 7 Cb 0.12 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 1wdk s ASP 7 CO 0.13 -1.72 0.28 -0.69 0.21 0.00 0.00 175.17 173.37 1wdk s VAL 8 N -2.32 5.25 -0.07 -1.27 1.01 -1.26 -0.68 120.40 121.07 1wdk s VAL 8 Ca 0.68 0.39 0.02 0.00 0.00 0.00 0.00 61.98 63.06 1wdk s VAL 8 Cb -0.21 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1wdk s VAL 8 CO 0.42 0.23 -0.10 -0.69 0.00 0.00 0.00 175.10 174.96 1wdk s VAL 9 N 1.70 3.40 -0.41 2.92 1.01 -0.09 -1.55 120.40 127.37 1wdk s VAL 9 Ca 0.12 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1wdk s VAL 9 Cb -0.15 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.87 1wdk s VAL 9 CO 0.09 0.58 0.35 -0.63 0.00 0.00 0.00 175.10 175.50 1wdk s ILE 10 N -0.61 5.19 0.19 2.22 1.09 -0.53 -1.26 121.20 127.48 1wdk s ILE 10 Ca 0.09 -0.51 0.01 0.00 -1.10 0.00 0.00 60.65 59.14 1wdk s ILE 10 Cb -0.11 -3.97 -0.10 0.00 -1.06 0.00 0.00 42.46 37.22 1wdk s ILE 10 CO 0.01 -0.34 1.45 0.58 -0.10 0.00 0.00 174.94 176.55 1wdk h VAL 11 N 5.66 1.40 -1.96 2.92 2.07 -1.31 0.98 116.25 126.02 1wdk h VAL 11 Ca -0.27 -2.19 0.19 0.00 0.82 0.00 0.00 66.70 65.26 1wdk h VAL 11 Cb 1.12 2.15 -0.14 0.00 -1.52 0.00 0.00 31.29 32.89 1wdk h VAL 11 CO 0.75 0.65 0.62 -0.62 0.02 0.00 0.00 177.57 179.00 1wdk s ASP 12 N -6.95 -0.22 -0.00 0.57 3.68 -1.23 -4.42 116.67 108.09 1wdk s ASP 12 Ca -0.05 -0.10 0.01 0.00 2.13 0.00 0.00 52.55 54.55 1wdk s ASP 12 Cb 0.11 0.31 -0.00 0.00 -1.45 0.00 0.00 42.92 41.89 1wdk s ASP 12 CO 0.83 -0.53 -0.04 0.12 0.13 0.00 0.00 175.17 175.68 1wdk s PHE 13 N -2.87 0.37 -0.06 -5.34 5.36 -1.26 -2.30 117.98 111.88 1wdk s PHE 13 Ca 0.09 -0.07 -0.11 0.00 -0.96 0.00 0.00 56.93 55.88 1wdk s PHE 13 Cb -0.00 -0.25 0.02 0.00 -0.34 0.00 0.00 43.02 42.45 1wdk s PHE 13 CO -0.05 -0.01 0.27 0.20 -1.46 0.00 0.00 175.22 174.17 1wdk s GLY 14 N -0.03 -0.15 0.07 13.12 0.00 -0.36 -4.63 107.32 115.33 1wdk s GLY 14 Ca 0.01 0.50 -0.05 0.00 0.00 0.00 0.00 44.72 45.18 1wdk s GLY 14 CO -0.00 0.35 0.08 1.09 0.00 0.00 0.00 173.10 174.62 1wdk s ARG 15 N -0.58 0.71 0.59 2.90 1.70 0.41 -0.37 118.95 124.31 1wdk s ARG 15 Ca -0.07 -1.04 -0.07 0.00 -0.47 0.00 0.00 55.73 54.08 1wdk s ARG 15 Cb -0.04 0.27 -0.01 0.00 -0.57 0.00 0.00 34.95 34.60 1wdk s ARG 15 CO 0.02 -0.19 0.92 0.95 -1.08 0.00 0.00 175.30 175.92 1wdk s THR 16 N -3.73 4.07 0.34 4.99 -4.23 -0.76 0.30 115.64 116.62 1wdk s THR 16 Ca 0.05 0.23 -0.28 0.00 -1.18 0.00 0.00 61.69 60.51 1wdk s THR 16 Cb 0.05 -3.61 -0.09 0.00 1.34 0.00 0.00 72.50 70.19 1wdk s THR 16 CO -0.10 -0.67 1.19 -2.84 -0.54 0.00 0.00 174.62 171.66 1wdk s PRO 17 N -5.01 4.33 -0.07 3.99 0.02 -1.26 -4.79 135.00 132.21 1wdk s PRO 17 Ca 0.53 1.95 -0.29 0.00 0.02 0.00 0.00 61.00 63.21 1wdk s PRO 17 Cb -0.11 -2.96 -0.02 0.00 0.02 0.00 0.00 34.50 31.43 1wdk s PRO 17 CO 0.47 -0.11 0.95 -1.64 -0.33 0.00 0.00 177.00 176.34 1wdk s MET 18 N -1.88 4.46 0.16 5.54 -1.94 -1.26 -4.85 119.30 119.53 1wdk s MET 18 Ca 0.51 1.32 0.08 0.00 -1.71 0.00 0.00 55.69 55.88 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 0.44 -0.19 -0.07 0.20 -0.01 0.00 0.00 175.02 175.40 1wdk s GLY 19 N 1.04 1.75 -0.04 -0.03 0.00 -0.99 -1.41 107.32 107.64 1wdk s GLY 19 Ca 0.48 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 43.51 1wdk s GLY 19 CO 0.21 -1.39 1.29 0.50 0.00 0.00 0.00 173.10 173.71 1wdk s ARG 20 N -2.71 4.31 0.38 2.90 0.52 -1.26 -1.52 118.95 121.58 1wdk s ARG 20 Ca 0.25 1.80 0.09 0.00 -0.52 0.00 0.00 55.73 57.35 1wdk s ARG 20 Cb -0.10 -3.58 0.77 0.00 0.52 0.00 0.00 34.95 32.57 1wdk s ARG 20 CO 0.16 -0.52 1.92 0.77 0.02 0.00 0.00 175.30 177.65 1wdk h SER 21 N 7.67 0.27 -1.60 0.23 0.02 -1.81 0.26 113.55 118.58 1wdk h SER 21 Ca -0.35 -0.05 -0.68 0.00 -0.84 0.00 0.00 61.79 59.87 1wdk h SER 21 Cb 1.17 -0.07 -0.13 0.00 0.14 0.00 0.00 62.40 63.51 1wdk h SER 21 CO 0.89 0.40 1.52 -0.75 -1.14 0.00 0.00 176.83 177.75 1wdk s LYS 22 N -4.80 3.84 -0.10 3.45 2.20 -1.26 -4.17 119.74 118.90 1wdk s LYS 22 Ca -0.06 -1.90 0.00 0.00 -0.36 0.00 0.00 55.97 53.66 1wdk s LYS 22 Cb 0.16 -5.24 0.00 0.00 -1.51 0.00 0.00 37.83 31.24 1wdk s LYS 22 CO 0.74 -2.01 0.00 0.41 -0.36 0.00 0.00 175.35 174.12 1wdk n GLY 23 N 5.43 0.49 0.00 5.54 0.00 -1.26 -5.04 105.19 110.36 1wdk n GLY 23 Ca 0.37 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.68 -2.04 0.31 -0.02 0.00 0.91 -4.84 105.19 96.84 1wdk n GLY 24 Ca -0.01 -1.51 0.02 0.00 0.00 0.00 0.00 46.02 44.52 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 0.66 -0.17 1.61 -0.00 -1.75 -2.78 114.93 112.50 1wdk h MET 25 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 1wdk h MET 25 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 31.60 31.46 1wdk h MET 25 CO 0.00 0.48 0.00 0.72 -0.00 0.00 0.00 176.91 178.11 1wdk n HIS 26 N -4.41 0.22 -0.15 -0.10 8.25 -1.26 -2.04 115.22 115.73 1wdk n HIS 26 Ca 0.04 -0.11 0.29 0.00 -0.26 0.00 0.00 57.72 57.68 1wdk n HIS 26 Cb 0.10 0.00 0.67 0.00 1.12 0.00 0.00 29.99 31.88 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 2.55 0.00 -0.27 -0.41 0.11 -1.79 0.20 114.38 114.77 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 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 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 -3.75 3.78 -4.20 0.08 3.02 -1.26 -4.96 115.26 107.97 1wdk n ASN 28 Ca 0.19 -2.90 -0.32 0.00 -0.03 0.00 0.00 54.58 51.51 1wdk n ASN 28 Cb 1.11 -0.51 -0.16 0.00 -0.61 0.00 0.00 39.78 39.61 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 -2.61 2.14 0.68 3.41 2.01 0.70 -5.12 115.64 116.83 1wdk s THR 29 Ca 0.40 -0.97 -0.14 0.00 0.31 0.00 0.00 61.69 61.30 1wdk s THR 29 Cb 0.32 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1wdk s THR 29 CO 0.10 0.55 1.10 -0.13 -0.69 0.00 0.00 174.62 175.54 1wdk s ARG 30 N 0.66 2.75 0.26 4.92 0.52 -1.26 -4.87 118.95 121.92 1wdk s ARG 30 Ca -0.11 1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 56.36 1wdk s ARG 30 Cb -0.16 -1.95 0.31 0.00 0.52 0.00 0.00 34.95 33.66 1wdk s ARG 30 CO 0.02 -1.27 1.84 0.00 0.02 0.00 0.00 175.30 175.90 1wdk h ALA 31 N -0.20 1.19 -0.14 2.13 0.00 -1.96 -0.67 119.26 119.60 1wdk h ALA 31 Ca -0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1wdk h ALA 31 Cb 1.24 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1wdk h ALA 31 CO 0.54 0.60 -0.01 0.93 0.00 0.00 0.00 179.25 181.31 1wdk h GLU 32 N 1.03 0.26 -0.66 0.00 3.07 -1.93 -1.68 114.58 114.67 1wdk h GLU 32 Ca 0.24 -0.09 -0.07 0.00 -0.50 0.00 0.00 59.36 58.94 1wdk h GLU 32 Cb 0.16 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 1wdk h GLU 32 CO -0.03 0.51 0.13 -0.44 -1.40 0.00 0.00 179.01 177.79 1wdk h ASP 33 N -0.01 1.02 -0.79 1.42 3.32 -1.91 0.27 116.42 119.72 1wdk h ASP 33 Ca 0.04 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1wdk h ASP 33 Cb 0.40 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1wdk h ASP 33 CO 0.01 1.00 0.42 -0.03 -1.72 0.00 0.00 179.24 178.92 1wdk h MET 34 N 1.01 1.12 -0.26 3.56 4.05 -1.09 -0.17 114.93 123.15 1wdk h MET 34 Ca 0.20 -0.14 -0.10 0.00 -0.28 0.00 0.00 59.70 59.38 1wdk h MET 34 Cb 0.40 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1wdk h MET 34 CO 0.01 0.84 -0.23 0.77 0.23 0.00 0.00 176.91 178.52 1wdk h SER 35 N 1.11 0.65 0.17 1.39 0.02 -0.80 -2.70 113.55 113.38 1wdk h SER 35 Ca 0.28 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1wdk h SER 35 Cb 0.06 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1wdk h SER 35 CO -0.04 0.98 -0.08 0.00 -1.14 0.00 0.00 176.83 176.55 1wdk h ALA 36 N 0.69 -0.22 -0.60 3.77 0.00 -0.73 -1.29 119.26 120.86 1wdk h ALA 36 Ca 0.04 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1wdk h ALA 36 Cb 0.79 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 1wdk h ALA 36 CO 0.06 -0.54 0.12 1.25 0.00 0.00 0.00 179.25 180.13 1wdk h HIS 37 N -0.39 0.18 0.08 0.00 6.17 -1.09 0.30 115.15 120.39 1wdk h HIS 37 Ca -0.02 0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.09 1wdk h HIS 37 Cb 0.31 0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.25 1wdk h HIS 37 CO -0.02 -0.05 -0.04 1.25 0.71 0.00 0.00 177.93 179.79 1wdk h LEU 38 N 0.24 -0.09 -0.44 0.26 5.85 -1.35 -0.93 115.31 118.86 1wdk h LEU 38 Ca 0.32 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1wdk h LEU 38 Cb 0.48 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1wdk h LEU 38 CO -0.42 0.01 0.17 0.40 -0.34 0.00 0.00 178.44 178.27 1wdk h ILE 39 N -0.19 0.88 -0.06 4.05 2.04 -0.54 -1.68 117.51 122.02 1wdk h ILE 39 Ca -0.01 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.76 1wdk h ILE 39 Cb 0.16 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1wdk h ILE 39 CO 0.02 0.06 -0.12 -1.28 0.00 0.00 0.00 178.15 176.83 1wdk h SER 40 N 0.34 -0.37 -0.50 1.72 0.87 -0.20 -1.69 113.55 113.73 1wdk h SER 40 Ca 0.20 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1wdk h SER 40 Cb 0.18 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1wdk h SER 40 CO -0.19 -0.17 0.29 0.11 -0.53 0.00 0.00 176.83 176.33 1wdk h LYS 41 N -0.18 0.70 -0.72 2.24 1.79 -0.86 -0.95 116.57 118.59 1wdk h LYS 41 Ca 0.06 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1wdk h LYS 41 Cb 0.27 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 1wdk h LYS 41 CO -0.16 0.53 0.41 0.28 -1.08 0.00 0.00 179.45 179.43 1wdk h VAL 42 N 0.67 1.21 -0.10 0.50 2.07 -1.16 -1.31 116.25 118.14 1wdk h VAL 42 Ca 0.18 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 1wdk h VAL 42 Cb 0.03 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1wdk h VAL 42 CO -0.03 0.23 -0.30 -0.07 0.02 0.00 0.00 177.57 177.42 1wdk h LEU 43 N 0.98 0.18 -0.97 2.57 3.38 -1.07 -2.78 115.31 117.60 1wdk h LEU 43 Ca 0.25 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1wdk h LEU 43 Cb 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1wdk h LEU 43 CO -0.04 0.48 -0.26 -0.33 0.09 0.00 0.00 178.44 178.37 1wdk h GLU 44 N 0.16 0.43 0.00 1.13 5.08 -0.09 -2.58 114.58 118.71 1wdk h GLU 44 Ca 0.02 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1wdk h GLU 44 Cb 0.62 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1wdk h GLU 44 CO 0.04 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1wdk h ARG 45 N 0.38 0.00 -2.26 2.33 3.08 -1.06 -3.28 114.38 113.57 1wdk h ARG 45 Ca 0.06 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.51 1wdk h ARG 45 Cb 0.67 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.30 1wdk h ARG 45 CO 0.05 0.00 -0.60 0.09 -1.07 0.00 0.00 179.97 178.43 1wdk n ASN 46 N -2.36 4.29 0.24 7.04 3.02 -0.97 -4.91 115.26 121.60 1wdk n ASN 46 Ca 0.03 -3.61 0.18 0.00 -0.03 0.00 0.00 54.58 51.15 1wdk n ASN 46 Cb 0.32 -0.60 0.82 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 3.40 0.00 1.30 6.41 4.64 -1.63 -1.07 113.55 126.60 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 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1wdk h SER 47 CO 0.83 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.90 1wdk h LYS 48 N 0.00 0.00 -5.22 4.77 1.57 -1.91 -3.41 116.57 112.37 1wdk h LYS 48 Ca 0.07 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.21 1wdk h LYS 48 Cb 0.72 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.89 1wdk h LYS 48 CO -0.00 0.00 -0.10 0.14 -0.57 0.00 0.00 179.45 178.92 1wdk s VAL 49 N -3.22 5.06 -0.24 0.50 -7.23 -0.41 -5.03 120.40 109.83 1wdk s VAL 49 Ca 0.08 0.44 -0.29 0.00 -1.81 0.00 0.00 61.98 60.40 1wdk s VAL 49 Cb 0.10 -3.89 0.01 0.00 0.56 0.00 0.00 36.38 33.16 1wdk s VAL 49 CO 0.54 -0.09 1.11 -0.62 -0.31 0.00 0.00 175.10 175.73 1wdk s ASP 50 N 1.70 7.00 0.48 4.85 2.15 -1.26 -4.92 116.67 126.67 1wdk s ASP 50 Ca 0.18 1.35 0.28 0.00 0.43 0.00 0.00 52.55 54.79 1wdk s ASP 50 Cb -0.16 -2.54 1.36 0.00 -0.30 0.00 0.00 42.92 41.28 1wdk s ASP 50 CO 0.12 -0.77 1.81 -0.65 -0.17 0.00 0.00 175.17 175.51 1wdk h PRO 51 N 7.89 0.15 0.00 4.34 0.11 -1.95 0.27 132.00 142.81 1wdk h PRO 51 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1wdk h PRO 51 Cb 1.07 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1wdk h PRO 51 CO 1.00 0.10 0.00 0.78 -0.21 0.00 0.00 178.00 179.67 1wdk h GLY 52 N 0.16 0.00 1.40 -0.55 0.00 -1.91 -2.07 103.07 100.10 1wdk h GLY 52 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1wdk h GLY 52 CO -0.12 0.00 -0.16 1.18 0.00 0.00 0.00 176.54 177.44 1wdk n GLU 53 N -2.93 0.23 -1.89 4.80 1.02 0.94 -4.81 120.64 118.00 1wdk n GLU 53 Ca -0.01 -0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.64 1wdk n GLU 53 Cb 0.19 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 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 -2.82 3.35 0.08 2.62 1.01 -0.78 -4.18 120.40 119.67 1wdk s VAL 54 Ca 0.18 0.36 -0.15 0.00 0.00 0.00 0.00 61.98 62.37 1wdk s VAL 54 Cb 0.19 -3.46 -0.15 0.00 0.00 0.00 0.00 36.38 32.97 1wdk s VAL 54 CO 0.55 -0.28 1.30 -0.33 0.00 0.00 0.00 175.10 176.34 1wdk h GLU 55 N 13.30 0.66 -2.81 2.72 4.39 -1.30 -3.41 114.58 128.12 1wdk h GLU 55 Ca -0.36 -0.48 -0.11 0.00 0.34 0.00 0.00 59.36 58.75 1wdk h GLU 55 Cb 1.19 0.08 -0.22 0.00 -0.10 0.00 0.00 28.75 29.70 1wdk h GLU 55 CO 1.01 1.10 -0.22 0.34 -1.16 0.00 0.00 179.01 180.07 1wdk s ASP 56 N -6.77 -0.34 -0.37 1.42 2.15 -1.26 -1.89 116.67 109.62 1wdk s ASP 56 Ca -0.12 0.48 -0.05 0.00 0.43 0.00 0.00 52.55 53.29 1wdk s ASP 56 Cb 0.07 0.57 0.07 0.00 -0.30 0.00 0.00 42.92 43.33 1wdk s ASP 56 CO 0.85 -0.32 0.14 -0.69 -0.17 0.00 0.00 175.17 174.98 1wdk s VAL 57 N -0.61 3.49 -0.35 1.11 1.01 -0.45 -2.46 120.40 122.14 1wdk s VAL 57 Ca -0.07 -1.55 -0.11 0.00 0.00 0.00 0.00 61.98 60.25 1wdk s VAL 57 Cb -0.04 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1wdk s VAL 57 CO 0.03 -0.38 0.20 -0.63 0.00 0.00 0.00 175.10 174.32 1wdk s ILE 58 N 1.28 4.71 -0.08 2.22 1.01 -0.34 -1.37 121.20 128.63 1wdk s ILE 58 Ca 0.01 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.04 1wdk s ILE 58 Cb -0.21 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 1wdk s ILE 58 CO -0.01 -0.13 -0.13 0.86 0.00 0.00 0.00 174.94 175.53 1wdk s TRP 59 N 1.60 2.75 -0.09 3.97 -0.11 -0.38 -2.46 118.94 124.22 1wdk s TRP 59 Ca 0.03 -0.32 -0.16 0.00 1.22 0.00 0.00 56.10 56.87 1wdk s TRP 59 Cb -0.18 -1.71 -0.05 0.00 -1.50 0.00 0.00 33.47 30.03 1wdk s TRP 59 CO 0.07 0.05 0.41 0.20 -4.62 0.00 0.00 176.95 173.07 1wdk s GLY 60 N -0.34 2.37 -0.27 5.86 0.00 0.12 -0.41 107.32 114.64 1wdk s GLY 60 Ca 0.03 -0.26 -0.22 0.00 0.00 0.00 0.00 44.72 44.28 1wdk s GLY 60 CO 0.02 0.51 0.74 0.00 0.00 0.00 0.00 173.10 174.37 1wdk n VAL 62 N 3.26 0.36 -2.56 0.00 0.31 -1.26 -4.40 118.33 114.04 1wdk n VAL 62 Ca -0.16 0.43 -0.42 0.00 -0.01 0.00 0.00 64.34 64.17 1wdk n VAL 62 Cb 0.57 -1.72 -0.01 0.00 -0.91 0.00 0.00 33.84 31.76 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 -4.14 6.67 -1.29 4.52 3.84 -1.26 -4.89 114.94 118.39 1wdk s ASN 63 Ca -0.04 -2.01 -0.14 0.00 0.21 0.00 0.00 52.86 50.88 1wdk s ASN 63 Cb 0.01 -2.58 0.13 0.00 -0.55 0.00 0.00 41.25 38.26 1wdk s ASN 63 CO 0.06 -1.34 1.76 0.00 -2.79 0.00 0.00 177.10 174.79 1wdk n GLN 64 N 8.61 3.32 -3.76 0.43 6.02 -1.26 -4.61 117.38 126.12 1wdk n GLN 64 Ca 0.42 -3.43 -0.10 0.00 -0.01 0.00 0.00 57.00 53.89 1wdk n GLN 64 Cb 0.48 -3.15 -0.06 0.00 1.02 0.00 0.00 30.24 28.53 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 2.10 0.08 0.00 5.09 -1.32 -1.25 -4.13 115.64 116.22 1wdk s THR 65 Ca 0.45 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 1wdk s THR 65 Cb 0.05 -1.37 0.00 0.00 -1.51 0.00 0.00 72.50 69.67 1wdk s THR 65 CO 0.01 -0.38 0.00 0.18 -2.21 0.00 0.00 174.62 172.21 1wdk n LEU 66 N -0.19 0.00 -0.27 9.08 4.77 -1.26 -1.68 117.00 127.44 1wdk n LEU 66 Ca -0.14 0.00 0.32 0.00 -0.03 0.00 0.00 56.01 56.16 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 0.20 0.00 1.29 -0.33 -1.33 0.00 0.00 177.39 177.22 1wdk h GLU 67 N 0.00 0.05 -0.52 3.23 5.08 -1.94 -1.51 114.58 118.97 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 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1wdk h GLU 67 CO 0.00 0.03 0.00 1.04 -1.00 0.00 0.00 179.01 179.08 1wdk n GLN 68 N -4.26 2.57 -2.50 2.33 6.02 -0.68 -4.41 117.38 116.46 1wdk n GLN 68 Ca 0.23 -2.39 -0.24 0.00 -0.01 0.00 0.00 57.00 54.59 1wdk n GLN 68 Cb 1.11 -1.51 0.10 0.00 1.02 0.00 0.00 30.24 30.96 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 -1.23 1.77 -1.33 1.08 0.00 -0.57 -3.87 107.32 103.16 1wdk s GLY 69 Ca 0.41 -1.57 -0.04 0.00 0.00 0.00 0.00 44.72 43.52 1wdk s GLY 69 CO 0.31 -1.03 0.88 0.79 0.00 0.00 0.00 173.10 174.04 1wdk n TRP 70 N -2.86 -2.17 -2.86 1.90 7.02 -1.26 -3.72 117.44 113.49 1wdk n TRP 70 Ca 0.14 0.90 -0.04 0.00 -1.02 0.00 0.00 57.50 57.47 1wdk n TRP 70 Cb 0.60 -4.55 0.02 0.00 -2.42 0.00 0.00 31.31 24.96 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 -3.03 -6.54 0.19 -0.99 5.15 -1.26 -4.78 115.26 104.00 1wdk n ASN 71 Ca -0.20 -0.24 0.18 0.00 -0.60 0.00 0.00 54.58 53.73 1wdk n ASN 71 Cb 0.63 -4.56 0.81 0.00 -0.53 0.00 0.00 39.78 36.13 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 -0.05 0.34 -0.86 -1.44 2.10 -1.74 -0.79 117.51 115.06 1wdk h ILE 72 Ca -0.17 0.00 0.02 0.00 1.08 0.00 0.00 64.86 65.79 1wdk h ILE 72 Cb 1.09 0.74 -0.04 0.00 -1.09 0.00 0.00 36.82 37.52 1wdk h ILE 72 CO 0.29 0.00 0.57 0.00 -1.08 0.00 0.00 178.15 177.93 1wdk h ALA 73 N 1.60 1.41 0.13 0.18 0.00 -1.89 -0.32 119.26 120.37 1wdk h ALA 73 Ca 0.11 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.69 1wdk h ALA 73 Cb 0.73 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 18.20 1wdk h ALA 73 CO -0.00 0.53 -1.23 -0.09 0.00 0.00 0.00 179.25 178.46 1wdk h ARG 74 N 1.14 0.41 -0.74 0.00 9.65 -1.40 -2.50 114.38 120.93 1wdk h ARG 74 Ca 0.32 -0.61 -0.01 0.00 -1.10 0.00 0.00 59.98 58.58 1wdk h ARG 74 Cb -0.09 0.21 -0.04 0.00 -1.39 0.00 0.00 29.97 28.67 1wdk h ARG 74 CO -0.08 1.27 0.41 0.52 2.80 0.00 0.00 179.97 184.89 1wdk h MET 75 N 0.15 1.03 0.03 0.20 2.86 -1.25 -1.59 114.93 116.36 1wdk h MET 75 Ca -0.16 -0.11 -0.27 0.00 -2.06 0.00 0.00 59.70 57.10 1wdk h MET 75 Cb 1.92 -0.21 0.02 0.00 0.06 0.00 0.00 31.60 33.40 1wdk h MET 75 CO 0.22 0.76 -1.06 0.00 1.06 0.00 0.00 176.91 177.89 1wdk h ALA 76 N 1.41 0.09 -0.70 6.32 0.00 -1.12 -3.30 119.26 121.97 1wdk h ALA 76 Ca 0.26 -0.70 0.03 0.00 0.00 0.00 0.00 54.91 54.50 1wdk h ALA 76 Cb 0.03 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1wdk h ALA 76 CO -0.04 0.66 0.43 1.03 0.00 0.00 0.00 179.25 181.33 1wdk h SER 77 N 0.33 0.71 0.00 0.00 0.87 -1.10 -2.01 113.55 112.36 1wdk h SER 77 Ca -0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1wdk h SER 77 Cb 1.72 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1wdk h SER 77 CO 0.21 0.49 0.05 -0.07 -0.53 0.00 0.00 176.83 176.98 1wdk h LEU 78 N 0.85 0.00 -3.48 2.23 3.38 -1.38 -0.22 115.31 116.69 1wdk h LEU 78 Ca 0.28 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 1wdk h LEU 78 Cb 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1wdk h LEU 78 CO -0.11 0.00 0.08 0.23 0.09 0.00 0.00 178.44 178.73 1wdk n MET 79 N -2.78 3.35 -4.73 1.13 2.81 -0.76 -4.96 117.12 111.18 1wdk n MET 79 Ca -0.02 -3.02 -0.32 0.00 -1.81 0.00 0.00 57.70 52.52 1wdk n MET 79 Cb 0.11 -2.03 -0.08 0.00 -0.71 0.00 0.00 33.22 30.51 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 -2.94 1.25 -1.95 2.03 2.01 -0.10 -4.86 115.64 111.09 1wdk s THR 80 Ca 0.49 -1.99 0.30 0.00 0.31 0.00 0.00 61.69 60.80 1wdk s THR 80 Cb 0.40 -2.24 0.81 0.00 0.01 0.00 0.00 72.50 71.48 1wdk s THR 80 CO 0.10 0.00 2.09 0.00 -0.69 0.00 0.00 174.62 176.13 1wdk n GLN 81 N -1.25 0.88 -2.21 4.92 0.00 -1.26 -4.75 117.38 113.72 1wdk n GLN 81 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.40 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 -2.05 3.64 0.87 -0.39 -1.09 -1.26 -4.73 121.20 116.19 1wdk s ILE 82 Ca 0.43 1.05 -0.10 0.00 -2.23 0.00 0.00 60.65 59.80 1wdk s ILE 82 Cb 0.20 -3.68 0.12 0.00 -1.58 0.00 0.00 42.46 37.52 1wdk s ILE 82 CO 0.35 0.01 1.12 -2.84 -1.23 0.00 0.00 174.94 172.35 1wdk s PRO 83 N 2.23 1.39 0.38 2.79 0.02 -1.26 -4.73 135.00 135.81 1wdk s PRO 83 Ca 0.64 1.36 0.28 0.00 0.02 0.00 0.00 61.00 63.30 1wdk s PRO 83 Cb -0.32 -1.78 1.22 0.00 0.02 0.00 0.00 34.50 33.64 1wdk s PRO 83 CO 0.27 -2.31 1.83 0.45 -0.33 0.00 0.00 177.00 176.91 1wdk h HIS 84 N -1.63 0.00 0.00 6.54 3.86 -1.95 -2.57 115.15 119.40 1wdk h HIS 84 Ca -0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1wdk h HIS 84 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1wdk h HIS 84 CO 0.52 0.00 0.00 1.79 0.86 0.00 0.00 177.93 181.10 1wdk h THR 85 N 0.00 0.00 -3.96 2.45 1.35 -1.96 -3.44 112.91 107.34 1wdk h THR 85 Ca 0.00 -0.35 -0.49 0.00 -0.55 0.00 0.00 66.41 65.01 1wdk h THR 85 Cb 0.32 1.21 0.03 0.00 -1.73 0.00 0.00 68.15 67.98 1wdk h THR 85 CO 0.00 0.00 0.26 -0.44 -0.25 0.00 0.00 175.52 175.09 1wdk s SER 86 N -4.47 6.39 0.55 5.36 0.01 -0.97 -5.05 113.70 115.52 1wdk s SER 86 Ca 0.07 1.25 0.09 0.00 1.31 0.00 0.00 55.95 58.67 1wdk s SER 86 Cb 0.10 -2.38 0.07 0.00 0.21 0.00 0.00 66.02 64.02 1wdk s SER 86 CO 0.48 -0.62 0.69 0.00 0.41 0.00 0.00 173.24 174.19 1wdk s ALA 87 N -2.76 4.63 -0.28 1.44 0.00 -0.79 -5.00 121.76 118.99 1wdk s ALA 87 Ca 0.53 -1.93 -0.25 0.00 0.00 0.00 0.00 51.96 50.32 1wdk s ALA 87 Cb -0.10 -1.31 0.12 0.00 0.00 0.00 0.00 23.12 21.82 1wdk s ALA 87 CO 0.42 -0.72 1.01 0.00 0.00 0.00 0.00 175.76 176.47 1wdk s ALA 88 N -2.66 -1.97 0.01 0.00 0.00 -1.26 -1.34 121.76 114.54 1wdk s ALA 88 Ca 0.55 1.91 -0.04 0.00 0.00 0.00 0.00 51.96 54.37 1wdk s ALA 88 Cb -0.05 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 1wdk s ALA 88 CO 0.35 -0.25 0.07 1.14 0.00 0.00 0.00 175.76 177.07 1wdk s GLN 89 N 0.29 0.42 -0.14 0.00 -2.07 -0.47 -4.62 119.66 113.07 1wdk s GLN 89 Ca 0.02 -0.48 -0.04 0.00 -1.82 0.00 0.00 55.36 53.05 1wdk s GLN 89 Cb -0.05 0.17 -0.03 0.00 -1.09 0.00 0.00 33.01 32.01 1wdk s GLN 89 CO -0.06 -0.09 -0.02 0.99 -1.32 0.00 0.00 175.29 174.79 1wdk s THR 90 N -1.41 4.07 -0.02 3.63 2.01 -1.26 -1.25 115.64 121.40 1wdk s THR 90 Ca -0.15 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.58 1wdk s THR 90 Cb -0.09 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 1wdk s THR 90 CO 0.01 0.51 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.65 1wdk s VAL 91 N 0.09 3.36 -0.07 3.82 1.01 0.45 -4.95 120.40 124.11 1wdk s VAL 91 Ca 0.01 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1wdk s VAL 91 Cb -0.13 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1wdk s VAL 91 CO 0.02 0.47 -0.00 -0.55 0.00 0.00 0.00 175.10 175.04 1wdk s SER 92 N -1.13 1.50 -0.32 3.32 0.15 -1.26 -2.14 113.70 113.81 1wdk s SER 92 Ca 0.14 -0.09 0.17 0.00 0.70 0.00 0.00 55.95 56.88 1wdk s SER 92 Cb -0.11 -0.44 0.46 0.00 -1.71 0.00 0.00 66.02 64.22 1wdk s SER 92 CO 0.04 -0.18 1.11 -1.14 1.20 0.00 0.00 173.24 174.28 1wdk n ARG 93 N 5.01 1.33 0.00 5.44 0.63 -1.26 -4.93 116.66 122.88 1wdk n ARG 93 Ca -0.09 -2.91 0.00 0.00 -0.92 0.00 0.00 57.85 53.93 1wdk n ARG 93 Cb 0.50 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.42 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 -0.43 0.00 -0.30 6.15 4.77 -1.26 -1.29 117.00 124.65 1wdk n LEU 94 Ca 0.04 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.18 1wdk n LEU 94 Cb 0.82 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 42.33 1wdk n LEU 94 CO 0.12 0.00 1.21 0.00 -1.33 0.00 0.00 177.39 177.40 1wdk n GLY 96 N -1.43 0.37 0.37 0.00 0.00 -0.41 -3.79 105.19 100.30 1wdk n GLY 96 Ca 0.21 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 1.97 -1.17 -0.81 1.61 0.02 -1.28 0.08 113.55 113.97 1wdk h SER 97 Ca 0.00 0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1wdk h SER 97 Cb 0.44 0.68 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 1wdk h SER 97 CO 0.00 -0.30 0.50 0.28 -1.14 0.00 0.00 176.83 176.16 1wdk h SER 98 N -0.01 0.97 -0.04 3.07 0.02 -1.78 -0.33 113.55 115.46 1wdk h SER 98 Ca 0.40 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 61.13 1wdk h SER 98 Cb 0.65 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1wdk h SER 98 CO -0.98 0.74 -0.53 -0.03 -1.14 0.00 0.00 176.83 174.89 1wdk h MET 99 N 1.12 0.62 -0.74 3.45 -1.53 -1.24 -2.40 114.93 114.21 1wdk h MET 99 Ca 0.29 -0.38 -0.04 0.00 -3.44 0.00 0.00 59.70 56.13 1wdk h MET 99 Cb -0.06 0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.00 1wdk h MET 99 CO -0.06 0.99 0.29 0.77 0.14 0.00 0.00 176.91 179.05 1wdk h SER 100 N 0.48 1.01 -0.30 1.39 0.02 -0.67 -1.27 113.55 114.20 1wdk h SER 100 Ca 0.01 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1wdk h SER 100 Cb 1.09 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 63.30 1wdk h SER 100 CO 0.10 0.90 -0.09 0.00 -1.14 0.00 0.00 176.83 176.61 1wdk h ALA 101 N 1.24 0.18 -0.52 3.77 0.00 -0.72 0.46 119.26 123.67 1wdk h ALA 101 Ca 0.25 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.29 1wdk h ALA 101 Cb 0.21 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1wdk h ALA 101 CO -0.02 -0.48 0.33 1.25 0.00 0.00 0.00 179.25 180.33 1wdk h LEU 102 N -0.03 0.57 -0.84 0.00 5.85 -1.00 -2.26 115.31 117.60 1wdk h LEU 102 Ca 0.15 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1wdk h LEU 102 Cb 0.25 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1wdk h LEU 102 CO -0.33 0.41 0.48 0.45 -0.34 0.00 0.00 178.44 179.11 1wdk h HIS 103 N 0.68 1.13 -0.48 1.25 3.86 -0.44 0.55 115.15 121.70 1wdk h HIS 103 Ca 0.20 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.34 1wdk h HIS 103 Cb -0.05 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.04 1wdk h HIS 103 CO -0.05 0.77 0.11 1.15 0.86 0.00 0.00 177.93 180.78 1wdk h THR 104 N 1.16 1.24 -0.26 2.45 2.02 -0.65 0.22 112.91 119.09 1wdk h THR 104 Ca 0.30 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 1wdk h THR 104 Cb -0.00 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1wdk h THR 104 CO -0.05 0.30 0.06 0.00 0.37 0.00 0.00 175.52 176.20 1wdk h ALA 105 N 0.98 0.34 -0.10 6.16 0.00 -1.14 -1.08 119.26 124.43 1wdk h ALA 105 Ca 0.15 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1wdk h ALA 105 Cb 0.34 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1wdk h ALA 105 CO 0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 179.25 178.94 1wdk h ALA 106 N 0.88 -0.37 -0.08 0.00 0.00 -0.67 0.12 119.26 119.13 1wdk h ALA 106 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wdk h ALA 106 Cb 0.29 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1wdk h ALA 106 CO 0.00 -0.79 0.05 1.96 0.00 0.00 0.00 179.25 180.47 1wdk h GLN 107 N -0.40 0.09 -0.21 0.00 4.20 -0.84 -0.03 115.11 117.91 1wdk h GLN 107 Ca 0.09 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 1wdk h GLN 107 Cb 0.54 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1wdk h GLN 107 CO -0.32 0.06 -0.30 0.00 -0.67 0.00 0.00 178.83 177.60 1wdk h ALA 108 N 1.95 0.32 -0.59 3.87 0.00 0.29 -2.66 119.26 122.45 1wdk h ALA 108 Ca 0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1wdk h ALA 108 Cb 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1wdk h ALA 108 CO -0.01 0.34 0.31 0.82 0.00 0.00 0.00 179.25 180.72 1wdk h ILE 109 N 0.26 1.20 -0.25 0.00 2.04 0.10 -1.04 117.51 119.82 1wdk h ILE 109 Ca 0.02 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1wdk h ILE 109 Cb 0.87 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1wdk h ILE 109 CO 0.07 0.22 0.06 0.24 0.00 0.00 0.00 178.15 178.74 1wdk h MET 110 N 0.80 0.36 -0.28 2.37 2.86 -0.97 -2.77 114.93 117.30 1wdk h MET 110 Ca 0.21 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1wdk h MET 110 Cb 0.07 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1wdk h MET 110 CO -0.03 0.34 0.00 0.25 1.06 0.00 0.00 176.91 178.53 1wdk n THR 111 N -4.39 0.36 -2.46 2.22 -2.24 -1.01 -4.94 114.28 101.82 1wdk n THR 111 Ca 0.01 -0.53 -0.05 0.00 -2.27 0.00 0.00 64.05 61.21 1wdk n THR 111 Cb 0.16 0.62 0.01 0.00 -2.10 0.00 0.00 70.33 69.02 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 1.29 0.45 2.36 3.38 0.00 -1.02 -4.96 105.19 106.69 1wdk n GLY 112 Ca 0.17 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 0.79 5.17 0.00 1.61 3.02 -0.42 -5.00 115.26 120.42 1wdk n ASN 113 Ca -0.02 -3.74 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 1wdk n ASN 113 Cb 0.52 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.58 4.09 0.01 7.41 0.00 -1.26 -4.75 105.19 110.11 1wdk n GLY 114 Ca 0.43 -1.54 -0.01 0.00 0.00 0.00 0.00 46.02 44.89 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 4.29 -4.02 1.61 8.00 -1.26 -4.27 116.55 120.90 1wdk n ASP 115 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1wdk n ASP 115 Cb 0.00 0.57 -0.17 0.00 -0.02 0.00 0.00 41.12 41.51 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 -2.07 1.16 0.10 2.53 1.01 -1.26 -1.52 120.40 120.34 1wdk s VAL 116 Ca -0.01 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1wdk s VAL 116 Cb 0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1wdk s VAL 116 CO 0.12 0.36 -0.07 -0.36 0.00 0.00 0.00 175.10 175.15 1wdk s PHE 117 N 0.75 0.92 -0.15 5.22 0.40 0.14 -0.84 117.98 124.42 1wdk s PHE 117 Ca -0.13 -0.84 0.01 0.00 -0.60 0.00 0.00 56.93 55.37 1wdk s PHE 117 Cb -0.16 -0.52 0.02 0.00 0.51 0.00 0.00 43.02 42.87 1wdk s PHE 117 CO 0.03 -0.11 -0.15 0.08 0.70 0.00 0.00 175.22 175.77 1wdk s VAL 118 N -3.27 1.65 0.39 -0.44 1.01 -1.03 -0.84 120.40 117.86 1wdk s VAL 118 Ca 0.10 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.45 1wdk s VAL 118 Cb 0.03 -1.53 -0.07 0.00 0.00 0.00 0.00 36.38 34.81 1wdk s VAL 118 CO -0.03 0.47 0.02 0.68 0.00 0.00 0.00 175.10 176.24 1wdk s VAL 119 N 1.39 1.74 -5.00 2.92 -7.23 -0.27 -1.20 120.40 112.75 1wdk s VAL 119 Ca 0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1wdk s VAL 119 Cb -0.13 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.88 1wdk s VAL 119 CO -0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1wdk n GLY 120 N -0.89 -0.12 3.79 2.32 0.00 -1.03 -0.38 105.19 108.89 1wdk n GLY 120 Ca -0.04 -1.38 0.01 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.22 0.17 -0.02 0.00 -0.61 0.11 107.32 106.75 1wdk s GLY 121 Ca 0.00 0.26 -0.19 0.00 0.00 0.00 0.00 44.72 44.78 1wdk s GLY 121 CO 0.00 2.16 0.53 0.54 0.00 0.00 0.00 173.10 176.33 1wdk s VAL 122 N -2.35 0.03 -0.30 1.40 0.11 0.33 -1.15 120.40 118.47 1wdk s VAL 122 Ca 0.20 -0.43 -0.10 0.00 -2.93 0.00 0.00 61.98 58.71 1wdk s VAL 122 Cb 0.01 -1.26 0.16 0.00 -1.53 0.00 0.00 36.38 33.76 1wdk s VAL 122 CO -0.01 -0.12 0.78 -0.70 -3.33 0.00 0.00 175.10 171.72 1wdk s GLU 123 N -3.81 0.45 -0.73 1.54 2.56 -0.93 -3.55 118.70 114.23 1wdk s GLU 123 Ca 0.04 1.03 -0.03 0.00 0.00 0.00 0.00 54.97 56.02 1wdk s GLU 123 Cb -0.00 0.61 0.18 0.00 2.00 0.00 0.00 34.13 36.92 1wdk s GLU 123 CO -0.09 -0.25 0.57 -1.58 -0.56 0.00 0.00 175.26 173.35 1wdk s HIS 124 N 2.76 3.58 -0.62 5.30 5.65 -1.26 -2.16 115.29 128.53 1wdk s HIS 124 Ca 0.01 -2.77 0.20 0.00 0.25 0.00 0.00 55.06 52.75 1wdk s HIS 124 Cb -0.11 -3.25 0.87 0.00 -1.18 0.00 0.00 32.58 28.91 1wdk s HIS 124 CO -0.18 -0.81 1.63 -1.33 -0.65 0.00 0.00 174.74 173.39 1wdk n MET 125 N 3.13 0.13 0.00 2.88 0.00 -1.22 -0.81 117.12 121.23 1wdk n MET 125 Ca 0.13 0.39 -0.16 0.00 0.00 0.00 0.00 57.70 58.05 1wdk n MET 125 Cb 0.38 -1.77 -0.05 0.00 0.00 0.00 0.00 33.22 31.78 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 2.17 0.78 0.93 3.03 0.00 -1.83 -2.93 103.07 105.21 1wdk h GLY 126 Ca 0.00 -1.13 -0.24 0.00 0.00 0.00 0.00 47.33 45.95 1wdk h GLY 126 CO 0.00 1.01 -1.63 1.42 0.00 0.00 0.00 176.54 177.34 1wdk n HIS 127 N -3.90 0.94 -3.60 5.60 8.25 -0.85 -4.59 115.22 117.07 1wdk n HIS 127 Ca -0.07 0.33 -0.28 0.00 -0.26 0.00 0.00 57.72 57.44 1wdk n HIS 127 Cb 0.76 -1.13 -0.12 0.00 1.12 0.00 0.00 29.99 30.62 1wdk n HIS 127 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1wdk s VAL 128 N -2.73 1.17 0.61 1.59 1.01 0.01 -4.97 120.40 117.09 1wdk s VAL 128 Ca -0.04 -2.86 -0.18 0.00 0.00 0.00 0.00 61.98 58.89 1wdk s VAL 128 Cb 0.08 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1wdk s VAL 128 CO 0.82 -1.06 1.07 -1.54 0.00 0.00 0.00 175.10 174.39 1wdk n SER 129 N 3.00 1.21 0.22 3.32 3.41 -1.11 -4.23 113.62 119.45 1wdk n SER 129 Ca 0.20 0.82 0.18 0.00 -0.26 0.00 0.00 58.87 59.80 1wdk n SER 129 Cb 0.40 -1.44 0.85 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.52 0.00 -0.55 4.33 3.00 -1.96 0.60 114.93 120.87 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 0.52 0.00 0.00 -1.33 0.00 0.00 0.00 176.91 176.10 1wdk n MET 131 N -3.58 2.88 -2.24 -0.10 2.81 -1.26 -4.93 117.12 110.70 1wdk n MET 131 Ca 0.01 -2.44 -0.41 0.00 -1.81 0.00 0.00 57.70 53.06 1wdk n MET 131 Cb 0.35 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.35 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 -1.12 3.27 -1.82 2.03 5.04 0.20 -3.19 115.29 119.70 1wdk s HIS 132 Ca 0.38 1.25 0.00 0.00 -1.54 0.00 0.00 55.06 55.15 1wdk s HIS 132 Cb 0.21 -3.58 0.00 0.00 0.04 0.00 0.00 32.58 29.24 1wdk s HIS 132 CO 0.25 -1.80 0.00 0.41 -2.34 0.00 0.00 174.74 171.26 1wdk n GLY 133 N 2.32 0.39 3.67 1.59 0.00 -1.26 -4.95 105.19 106.95 1wdk n GLY 133 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.85 5.07 -0.38 1.61 1.01 -1.19 -5.02 120.40 118.66 1wdk s VAL 134 Ca 0.00 1.09 0.03 0.00 0.00 0.00 0.00 61.98 63.09 1wdk s VAL 134 Cb 0.00 -3.90 0.11 0.00 0.00 0.00 0.00 36.38 32.59 1wdk s VAL 134 CO 0.00 0.17 0.12 -0.62 0.00 0.00 0.00 175.10 174.77 1wdk s ASP 135 N 1.09 4.37 0.33 3.32 2.15 -1.26 -5.10 116.67 121.56 1wdk s ASP 135 Ca 0.27 -2.24 -0.29 0.00 0.43 0.00 0.00 52.55 50.73 1wdk s ASP 135 Cb -0.16 -1.37 -0.12 0.00 -0.30 0.00 0.00 42.92 40.97 1wdk s ASP 135 CO 0.11 -0.35 1.34 -2.65 -0.17 0.00 0.00 175.17 173.45 1wdk n PRO 136 N 4.11 2.19 -3.15 4.34 -0.02 -1.26 -4.95 135.00 136.26 1wdk n PRO 136 Ca 0.03 0.77 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 1wdk n PRO 136 Cb 0.39 -2.39 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 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 -0.16 6.39 0.24 2.55 2.47 -1.26 -4.95 114.94 120.22 1wdk s ASN 137 Ca 0.58 0.08 -0.05 0.00 0.42 0.00 0.00 52.86 53.89 1wdk s ASN 137 Cb -0.57 -2.31 0.40 0.00 -1.45 0.00 0.00 41.25 37.32 1wdk s ASN 137 CO 0.60 -0.57 1.77 -0.65 -3.72 0.00 0.00 177.10 174.52 1wdk h PRO 138 N 8.47 0.57 0.00 0.43 0.11 -2.04 -1.16 132.00 138.38 1wdk h PRO 138 Ca -0.27 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1wdk h PRO 138 Cb 1.11 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1wdk h PRO 138 CO 0.82 0.37 -0.00 0.45 -0.21 0.00 0.00 178.00 179.43 1wdk h HIS 139 N 0.58 0.00 -0.39 0.65 3.86 -2.02 -2.12 115.15 115.71 1wdk h HIS 139 Ca 0.39 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.57 1wdk h HIS 139 Cb 0.47 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 1wdk h HIS 139 CO -0.11 0.00 0.14 1.98 0.86 0.00 0.00 177.93 180.80 1wdk h MET 140 N 0.00 0.55 0.00 2.45 -1.53 -1.57 -2.06 114.93 112.77 1wdk h MET 140 Ca -0.00 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.18 1wdk h MET 140 Cb 0.04 -0.10 0.00 0.00 -0.55 0.00 0.00 31.60 30.98 1wdk h MET 140 CO 0.00 0.47 0.00 0.43 0.14 0.00 0.00 176.91 177.95 1wdk n SER 141 N -4.37 0.00 0.07 1.39 7.64 -0.80 -0.85 113.62 116.70 1wdk n SER 141 Ca 0.02 0.39 0.12 0.00 1.01 0.00 0.00 58.87 60.42 1wdk n SER 141 Cb 0.16 -0.40 0.21 0.00 -1.01 0.00 0.00 64.21 63.16 1wdk n SER 141 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1wdk n LEU 142 N -1.40 0.72 0.00 -3.43 7.94 -0.77 -4.34 117.00 115.71 1wdk n LEU 142 Ca 0.00 0.28 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 1wdk n LEU 142 Cb 0.01 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 43.76 1wdk n LEU 142 CO 0.01 -0.07 -0.45 -1.22 -1.11 0.00 0.00 177.39 174.55 1wdk n TYR 143 N -2.13 0.00 -4.15 1.96 4.02 -0.03 -5.10 117.16 111.73 1wdk n TYR 143 Ca 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.80 1wdk n TYR 143 Cb 0.44 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.68 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 -1.88 0.89 0.05 -0.72 0.00 -0.50 -5.14 121.76 114.45 1wdk s ALA 144 Ca 0.00 -1.54 -0.24 0.00 0.00 0.00 0.00 51.96 50.18 1wdk s ALA 144 Cb 0.00 1.29 -0.06 0.00 0.00 0.00 0.00 23.12 24.35 1wdk s ALA 144 CO 0.00 -0.70 0.72 0.00 0.00 0.00 0.00 175.76 175.79 1wdk s ALA 145 N -3.82 3.41 0.34 0.00 0.00 -1.26 -3.93 121.76 116.50 1wdk s ALA 145 Ca 0.34 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.56 1wdk s ALA 145 Cb 0.03 -2.92 0.66 0.00 0.00 0.00 0.00 23.12 20.88 1wdk s ALA 145 CO 0.15 0.12 1.94 -0.22 0.00 0.00 0.00 175.76 177.75 1wdk h LYS 146 N 5.51 0.84 0.00 0.00 3.64 -1.91 -0.95 116.57 123.69 1wdk h LYS 146 Ca -0.45 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1wdk h LYS 146 Cb 1.20 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1wdk h LYS 146 CO 0.70 0.56 0.00 0.00 -2.27 0.00 0.00 179.45 178.44 1wdk h ALA 147 N 1.57 1.00 0.00 5.00 0.00 -1.96 -1.46 119.26 123.40 1wdk h ALA 147 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1wdk h ALA 147 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1wdk h ALA 147 CO -0.12 0.00 0.00 0.77 0.00 0.00 0.00 179.25 179.90 1wdk h SER 148 N 0.00 0.00 0.73 0.00 0.02 -1.51 -1.84 113.55 110.95 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 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1wdk h SER 148 CO 0.00 0.00 -0.07 0.61 -1.14 0.00 0.00 176.83 176.23 1wdk n GLY 149 N -0.49 -1.33 3.28 -3.77 0.00 -0.55 -4.52 105.19 97.81 1wdk n GLY 149 Ca -0.01 -0.16 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.79 2.93 0.26 1.61 -1.94 -0.69 -4.97 119.30 113.71 1wdk s MET 150 Ca 0.20 -1.84 -0.06 0.00 -1.71 0.00 0.00 55.69 52.28 1wdk s MET 150 Cb 0.19 -4.21 0.48 0.00 2.01 0.00 0.00 34.83 33.30 1wdk s MET 150 CO 0.52 -1.29 1.61 0.52 -0.01 0.00 0.00 175.02 176.36 1wdk h MET 151 N 8.60 0.05 -0.67 2.03 2.86 -1.84 -0.72 114.93 125.24 1wdk h MET 151 Ca -0.22 -0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.55 1wdk h MET 151 Cb 1.08 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.64 1wdk h MET 151 CO 0.95 0.03 0.17 0.78 1.06 0.00 0.00 176.91 179.90 1wdk h GLY 152 N 0.05 0.90 1.86 8.32 0.00 -1.94 -0.65 103.07 111.61 1wdk h GLY 152 Ca 0.45 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.67 1wdk h GLY 152 CO -0.79 -0.14 -0.22 1.41 0.00 0.00 0.00 176.54 176.80 1wdk h LEU 153 N 0.29 0.17 -1.01 3.11 3.38 -1.43 -1.56 115.31 118.25 1wdk h LEU 153 Ca 0.36 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 1wdk h LEU 153 Cb 0.56 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1wdk h LEU 153 CO -0.44 0.40 -0.49 0.71 0.09 0.00 0.00 178.44 178.71 1wdk h THR 154 N 0.16 1.34 -0.15 0.22 1.35 -0.94 -1.36 112.91 113.53 1wdk h THR 154 Ca 0.03 -1.70 -0.07 0.00 -0.55 0.00 0.00 66.41 64.12 1wdk h THR 154 Cb 0.49 1.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1wdk h THR 154 CO 0.03 0.48 -0.17 0.00 -0.25 0.00 0.00 175.52 175.62 1wdk h ALA 155 N 1.51 0.22 -0.39 6.62 0.00 -0.52 -1.12 119.26 125.58 1wdk h ALA 155 Ca -0.00 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.64 1wdk h ALA 155 Cb 0.88 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1wdk h ALA 155 CO 0.06 0.13 0.02 0.93 0.00 0.00 0.00 179.25 180.39 1wdk h GLU 156 N 0.00 0.12 -0.34 0.00 4.39 -1.08 0.81 114.58 118.48 1wdk h GLU 156 Ca 0.02 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1wdk h GLU 156 Cb 0.71 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1wdk h GLU 156 CO 0.04 0.08 0.05 1.98 -1.16 0.00 0.00 179.01 180.00 1wdk h MET 157 N 0.12 0.57 -0.85 2.33 4.05 -1.16 -1.05 114.93 118.94 1wdk h MET 157 Ca 0.19 -0.16 -0.03 0.00 -0.28 0.00 0.00 59.70 59.43 1wdk h MET 157 Cb 0.26 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.96 1wdk h MET 157 CO -0.31 0.65 0.41 1.25 0.23 0.00 0.00 176.91 179.15 1wdk h LEU 158 N 0.40 1.11 0.06 3.39 6.46 -0.87 -1.74 115.31 124.12 1wdk h LEU 158 Ca 0.10 -0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1wdk h LEU 158 Cb 0.36 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1wdk h LEU 158 CO 0.01 0.93 -0.03 1.23 -0.62 0.00 0.00 178.44 179.96 1wdk h GLY 159 N 1.21 -0.08 0.89 3.75 0.00 -0.66 -1.90 103.07 106.28 1wdk h GLY 159 Ca 0.29 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.68 1wdk h GLY 159 CO -0.04 -0.03 0.45 0.50 0.00 0.00 0.00 176.54 177.42 1wdk h LYS 160 N -0.22 0.85 -0.15 4.80 1.79 -1.09 0.32 116.57 122.87 1wdk h LYS 160 Ca -0.01 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1wdk h LYS 160 Cb 0.20 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1wdk h LYS 160 CO 0.01 0.56 0.05 0.52 -1.08 0.00 0.00 179.45 179.51 1wdk h MET 161 N 0.88 0.20 -0.34 3.15 2.86 -1.15 -2.16 114.93 118.36 1wdk h MET 161 Ca 0.28 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1wdk h MET 161 Cb 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1wdk h MET 161 CO -0.10 0.18 0.00 0.72 1.06 0.00 0.00 176.91 178.77 1wdk n HIS 162 N -4.46 0.45 -3.53 -0.22 8.25 -0.73 -4.99 115.22 109.99 1wdk n HIS 162 Ca -0.01 -0.33 -0.22 0.00 -0.26 0.00 0.00 57.72 56.90 1wdk n HIS 162 Cb 0.12 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.30 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 0.96 -0.47 3.62 -1.41 0.00 0.95 -4.95 105.19 103.89 1wdk n GLY 163 Ca 0.14 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.31 4.67 0.75 -0.61 1.09 -0.22 -5.01 121.20 118.55 1wdk s ILE 164 Ca 0.48 1.33 -0.11 0.00 -1.10 0.00 0.00 60.65 61.25 1wdk s ILE 164 Cb -0.21 -4.27 0.04 0.00 -1.06 0.00 0.00 42.46 36.96 1wdk s ILE 164 CO 0.70 -0.38 1.08 -0.94 -0.10 0.00 0.00 174.94 175.31 1wdk s SER 165 N 1.69 4.92 0.21 3.58 1.04 -1.26 -4.76 113.70 119.12 1wdk s SER 165 Ca 0.37 1.39 -0.10 0.00 0.48 0.00 0.00 55.95 58.09 1wdk s SER 165 Cb -0.13 -2.18 0.16 0.00 0.10 0.00 0.00 66.02 63.97 1wdk s SER 165 CO 0.15 -1.70 1.87 -0.09 0.98 0.00 0.00 173.24 174.45 1wdk h ARG 166 N -0.90 0.95 -0.29 4.02 9.65 -1.96 -1.93 114.38 123.92 1wdk h ARG 166 Ca -0.46 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.36 1wdk h ARG 166 Cb 1.25 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.60 1wdk h ARG 166 CO 0.59 0.63 0.14 0.93 2.80 0.00 0.00 179.97 185.06 1wdk h GLU 167 N 0.98 0.42 -0.94 0.20 5.08 -1.94 -1.07 114.58 117.30 1wdk h GLU 167 Ca 0.27 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1wdk h GLU 167 Cb -0.09 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.03 1wdk h GLU 167 CO -0.07 0.39 0.62 1.96 -1.00 0.00 0.00 179.01 180.91 1wdk h GLN 168 N 0.34 1.12 -0.22 2.33 4.20 -1.83 -0.49 115.11 120.56 1wdk h GLN 168 Ca 0.10 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 1wdk h GLN 168 Cb 0.11 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1wdk h GLN 168 CO -0.01 0.74 -0.17 1.96 -0.67 0.00 0.00 178.83 180.68 1wdk h GLN 169 N 1.15 0.49 -0.68 1.46 4.20 -1.09 -2.56 115.11 118.09 1wdk h GLN 169 Ca 0.38 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1wdk h GLN 169 Cb 0.06 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1wdk h GLN 169 CO -0.13 0.81 0.27 -0.44 -0.67 0.00 0.00 178.83 178.67 1wdk h ASP 170 N 0.18 0.92 -0.42 1.46 5.19 -0.87 -2.00 116.42 120.88 1wdk h ASP 170 Ca 0.04 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 1wdk h ASP 170 Cb 0.69 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1wdk h ASP 170 CO 0.04 0.82 0.21 0.00 -3.12 0.00 0.00 179.24 177.20 1wdk h ALA 171 N 1.31 0.54 -0.76 3.45 0.00 -1.03 -0.07 119.26 122.70 1wdk h ALA 171 Ca 0.23 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1wdk h ALA 171 Cb 0.19 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1wdk h ALA 171 CO -0.02 0.09 0.49 0.35 0.00 0.00 0.00 179.25 180.16 1wdk h PHE 172 N 0.54 0.93 -0.39 0.00 3.57 -1.21 -0.75 116.94 119.64 1wdk h PHE 172 Ca 0.15 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1wdk h PHE 172 Cb 0.09 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1wdk h PHE 172 CO -0.02 0.57 0.12 0.00 -2.23 0.00 0.00 178.31 176.75 1wdk h ALA 173 N 1.29 0.51 -0.66 2.41 0.00 -0.87 -0.42 119.26 121.53 1wdk h ALA 173 Ca 0.29 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1wdk h ALA 173 Cb -0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1wdk h ALA 173 CO -0.08 0.16 0.42 0.28 0.00 0.00 0.00 179.25 180.03 1wdk h VAL 174 N 0.49 1.11 -0.83 0.00 2.07 -0.64 -2.00 116.25 116.45 1wdk h VAL 174 Ca 0.13 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1wdk h VAL 174 Cb 0.26 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1wdk h VAL 174 CO -0.00 0.15 0.46 -0.09 0.02 0.00 0.00 177.57 178.11 1wdk h ARG 175 N 0.83 1.15 0.19 1.57 2.43 -0.81 -0.76 114.38 118.99 1wdk h ARG 175 Ca 0.26 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1wdk h ARG 175 Cb -0.01 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 1wdk h ARG 175 CO -0.09 0.84 -0.09 1.03 -1.51 0.00 0.00 179.97 180.15 1wdk h SER 176 N 1.15 -0.22 -0.43 -3.80 0.87 -0.38 0.29 113.55 111.03 1wdk h SER 176 Ca 0.29 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 1wdk h SER 176 Cb 0.02 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1wdk h SER 176 CO -0.05 -0.16 0.12 0.45 -0.53 0.00 0.00 176.83 176.67 1wdk h HIS 177 N -0.26 0.70 -0.14 2.24 3.86 -1.33 -0.84 115.15 119.38 1wdk h HIS 177 Ca -0.03 -0.08 0.05 0.00 -1.16 0.00 0.00 60.37 59.15 1wdk h HIS 177 Cb 0.20 -0.20 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 1wdk h HIS 177 CO -0.06 0.65 -0.19 0.37 0.86 0.00 0.00 177.93 179.56 1wdk h GLN 178 N 0.55 -0.23 0.00 2.45 4.15 -0.91 0.68 115.11 121.80 1wdk h GLN 178 Ca 0.14 0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.46 1wdk h GLN 178 Cb 0.29 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1wdk h GLN 178 CO -0.00 -0.15 -0.51 -0.07 -1.93 0.00 0.00 178.83 176.17 1wdk h LEU 179 N -0.24 0.00 -0.24 -2.39 3.38 -0.31 -1.62 115.31 113.89 1wdk h LEU 179 Ca 0.10 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 1wdk h LEU 179 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1wdk h LEU 179 CO -0.28 0.51 -0.51 0.00 0.09 0.00 0.00 178.44 178.25 1wdk h ALA 180 N 1.49 0.38 -0.50 1.53 0.00 -0.72 -1.91 119.26 119.54 1wdk h ALA 180 Ca -0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1wdk h ALA 180 Cb 0.92 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1wdk h ALA 180 CO 0.07 0.57 0.01 1.25 0.00 0.00 0.00 179.25 181.15 1wdk h HIS 181 N 0.51 0.95 -0.05 0.00 -0.00 -0.75 -1.44 115.15 114.36 1wdk h HIS 181 Ca 0.00 -0.16 -0.00 0.00 -0.00 0.00 0.00 60.37 60.21 1wdk h HIS 181 Cb 1.12 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 28.28 1wdk h HIS 181 CO 0.08 0.89 0.03 -0.22 -0.00 0.00 0.00 177.93 178.71 1wdk h LYS 182 N 0.74 0.07 -1.00 5.26 3.64 -1.26 -0.82 116.57 123.20 1wdk h LYS 182 Ca 0.14 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1wdk h LYS 182 Cb 0.50 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 1wdk h LYS 182 CO 0.02 0.08 0.66 0.00 -2.27 0.00 0.00 179.45 177.94 1wdk h ALA 183 N 0.99 1.33 0.80 5.00 0.00 -1.25 -0.41 119.26 125.72 1wdk h ALA 183 Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1wdk h ALA 183 Cb 0.02 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.44 1wdk h ALA 183 CO -0.00 0.59 -0.38 1.15 0.00 0.00 0.00 179.25 180.61 1wdk h THR 184 N 1.30 0.15 -0.99 0.00 2.02 -0.91 0.28 112.91 114.76 1wdk h THR 184 Ca 0.39 -0.11 0.13 0.00 0.77 0.00 0.00 66.41 67.59 1wdk h THR 184 Cb -0.06 0.17 -0.09 0.00 -1.74 0.00 0.00 68.15 66.43 1wdk h THR 184 CO -0.11 0.01 0.61 0.58 0.37 0.00 0.00 175.52 176.99 1wdk h VAL 185 N -1.17 0.87 -0.16 3.16 2.07 -0.94 -1.04 116.25 119.05 1wdk h VAL 185 Ca -0.11 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1wdk h VAL 185 Cb 0.84 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1wdk h VAL 185 CO 0.18 0.17 0.00 -0.62 0.02 0.00 0.00 177.57 177.32 1wdk n GLU 186 N -4.66 1.41 -2.04 1.57 1.02 -0.18 -4.90 120.64 112.85 1wdk n GLU 186 Ca 0.20 -0.63 -0.16 0.00 -0.02 0.00 0.00 57.16 56.55 1wdk n GLU 186 Cb 0.40 -1.19 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 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 0.83 0.29 0.14 0.62 0.00 -0.39 -4.88 105.19 101.79 1wdk n GLY 187 Ca 0.08 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.99 1wdk n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wdk h LYS 188 N 0.00 0.00 -0.32 1.61 1.79 -0.66 -2.75 116.57 116.24 1wdk h LYS 188 Ca -0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1wdk h LYS 188 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1wdk h LYS 188 CO 0.45 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 180.01 1wdk n PHE 189 N -2.39 0.41 -0.06 -1.35 0.99 -1.24 -4.59 117.46 109.23 1wdk n PHE 189 Ca 0.03 -0.27 -0.01 0.00 -0.00 0.00 0.00 57.45 57.21 1wdk n PHE 189 Cb 0.33 -0.01 0.27 0.00 -1.00 0.00 0.00 39.48 39.07 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 3.45 0.66 -0.01 -1.08 3.64 -1.82 -1.68 116.57 119.73 1wdk h LYS 190 Ca 0.00 -0.12 -0.23 0.00 -1.27 0.00 0.00 60.65 59.02 1wdk h LYS 190 Cb 0.83 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1wdk h LYS 190 CO 0.00 0.61 -0.96 -0.44 -2.27 0.00 0.00 179.45 176.39 1wdk h ASP 191 N 0.64 0.62 0.56 4.20 3.32 -1.81 -3.36 116.42 120.60 1wdk h ASP 191 Ca 0.15 -0.50 -0.28 0.00 0.02 0.00 0.00 57.03 56.42 1wdk h ASP 191 Cb 0.26 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1wdk h ASP 191 CO -0.00 1.29 -1.57 1.05 -1.72 0.00 0.00 179.24 178.29 1wdk h GLU 192 N 0.28 0.04 -6.19 3.56 4.11 -1.80 -3.46 114.58 111.11 1wdk h GLU 192 Ca -0.09 -0.07 -0.56 0.00 0.07 0.00 0.00 59.36 58.71 1wdk h GLU 192 Cb 1.59 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.83 1wdk h GLU 192 CO 0.17 0.70 0.87 0.42 0.07 0.00 0.00 179.01 181.24 1wdk s ILE 193 N -2.62 4.22 -0.38 -1.06 1.01 -0.64 -0.44 121.20 121.29 1wdk s ILE 193 Ca -0.05 1.50 -0.19 0.00 0.00 0.00 0.00 60.65 61.91 1wdk s ILE 193 Cb 0.08 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.59 1wdk s ILE 193 CO 0.82 -0.10 0.54 -0.63 0.00 0.00 0.00 174.94 175.57 1wdk s ILE 194 N 3.26 4.97 0.43 2.92 -1.09 0.15 -4.89 121.20 126.95 1wdk s ILE 194 Ca 0.56 0.19 -0.23 0.00 -2.23 0.00 0.00 60.65 58.94 1wdk s ILE 194 Cb -0.23 -4.04 -0.11 0.00 -1.58 0.00 0.00 42.46 36.50 1wdk s ILE 194 CO 0.17 -0.35 0.90 -2.65 -1.23 0.00 0.00 174.94 171.78 1wdk n PRO 195 N 5.87 1.13 -3.67 2.79 -0.02 -1.26 -4.28 135.00 135.56 1wdk n PRO 195 Ca -0.04 0.41 -0.14 0.00 -2.02 0.00 0.00 63.50 61.71 1wdk n PRO 195 Cb 0.48 -1.93 -0.07 0.00 -0.02 0.00 0.00 33.50 31.97 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 -1.97 0.86 0.28 -0.52 1.75 -0.72 -4.96 119.30 114.02 1wdk s MET 196 Ca 0.64 -0.19 -0.29 0.00 -1.25 0.00 0.00 55.69 54.60 1wdk s MET 196 Cb -0.56 0.39 -0.09 0.00 2.84 0.00 0.00 34.83 37.41 1wdk s MET 196 CO 0.56 -0.27 1.08 -0.65 -0.65 0.00 0.00 175.02 175.08 1wdk s GLN 197 N -1.84 4.64 0.00 4.11 -0.21 -1.26 -0.16 119.66 124.94 1wdk s GLN 197 Ca -0.09 1.75 -0.00 0.00 0.02 0.00 0.00 55.36 57.04 1wdk s GLN 197 Cb -0.02 -3.16 0.00 0.00 1.00 0.00 0.00 33.01 30.83 1wdk s GLN 197 CO 0.02 0.23 0.01 0.41 -2.12 0.00 0.00 175.29 173.84 1wdk n GLY 198 N 1.17 2.34 3.15 3.09 0.00 0.26 -4.89 105.19 110.31 1wdk n GLY 198 Ca -0.01 -1.13 -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 -7.68 1.26 0.70 1.61 1.51 -0.86 -2.00 117.35 111.89 1wdk s TYR 199 Ca 0.00 -0.35 -0.00 0.00 -1.01 0.00 0.00 57.07 55.70 1wdk s TYR 199 Cb -0.00 -0.75 0.14 0.00 -0.11 0.00 0.00 41.96 41.24 1wdk s TYR 199 CO 0.00 0.04 0.96 -0.40 -1.11 0.00 0.00 175.55 175.04 1wdk n ASP 200 N 1.90 1.28 -0.04 2.29 5.68 -0.86 -4.00 116.55 122.79 1wdk n ASP 200 Ca -0.18 -2.08 0.24 0.00 -0.50 0.00 0.00 54.79 52.27 1wdk n ASP 200 Cb 0.55 -0.62 0.70 0.00 -1.14 0.00 0.00 41.12 40.60 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 -0.04 0.11 3.07 -1.92 0.23 114.58 116.03 1wdk h GLU 201 Ca -0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1wdk h GLU 201 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1wdk h GLU 201 CO 0.34 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 178.04 1wdk n ASN 202 N -3.77 2.23 0.00 1.42 3.02 -1.26 -4.93 115.26 111.97 1wdk n ASN 202 Ca 0.13 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.94 1wdk n ASN 202 Cb 0.88 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.03 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 1.26 0.75 3.73 7.41 0.00 0.80 -5.02 105.19 114.12 1wdk n GLY 203 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.67 3.30 0.08 1.61 0.40 -1.26 -4.73 117.98 114.71 1wdk s PHE 204 Ca 0.00 1.24 -0.28 0.00 -0.60 0.00 0.00 56.93 57.29 1wdk s PHE 204 Cb 0.00 -3.57 -0.06 0.00 0.51 0.00 0.00 43.02 39.91 1wdk s PHE 204 CO 0.00 -1.77 0.87 -1.17 0.70 0.00 0.00 175.22 173.86 1wdk s LEU 205 N 0.06 4.47 0.18 -0.37 2.96 -1.26 -2.03 118.68 122.69 1wdk s LEU 205 Ca 0.57 1.63 -0.23 0.00 -0.22 0.00 0.00 54.13 55.88 1wdk s LEU 205 Cb -0.35 -3.42 0.08 0.00 0.50 0.00 0.00 46.19 42.99 1wdk s LEU 205 CO 0.36 -0.03 1.03 -1.59 -1.32 0.00 0.00 176.35 174.80 1wdk s LYS 206 N 0.00 1.30 -0.11 1.98 -2.85 -0.85 -5.01 119.74 114.20 1wdk s LYS 206 Ca 0.43 -0.82 -0.09 0.00 -1.00 0.00 0.00 55.97 54.50 1wdk s LYS 206 Cb -0.22 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 35.88 1wdk s LYS 206 CO 0.27 -0.61 0.18 0.42 0.10 0.00 0.00 175.35 175.72 1wdk s ILE 207 N -2.32 5.42 -0.07 3.79 1.01 -1.26 -0.58 121.20 127.20 1wdk s ILE 207 Ca 0.20 0.31 0.04 0.00 0.00 0.00 0.00 60.65 61.21 1wdk s ILE 207 Cb -0.02 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1wdk s ILE 207 CO 0.05 0.59 -0.18 -0.36 0.00 0.00 0.00 174.94 175.04 1wdk s PHE 208 N -0.85 2.63 -0.05 3.97 0.40 0.78 -4.93 117.98 119.92 1wdk s PHE 208 Ca 0.16 -0.46 0.11 0.00 -0.60 0.00 0.00 56.93 56.13 1wdk s PHE 208 Cb -0.13 -1.67 0.20 0.00 0.51 0.00 0.00 43.02 41.93 1wdk s PHE 208 CO 0.05 -0.04 1.09 -0.40 0.70 0.00 0.00 175.22 176.62 1wdk n ASP 209 N 2.81 0.96 -3.96 1.36 5.68 -1.26 -1.75 116.55 120.38 1wdk n ASP 209 Ca -0.17 -2.47 -0.09 0.00 -0.50 0.00 0.00 54.79 51.56 1wdk n ASP 209 Cb 0.52 -0.31 -0.08 0.00 -1.14 0.00 0.00 41.12 40.11 1wdk n ASP 209 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1wdk s TYR 210 N -1.06 0.37 -0.39 2.11 -0.85 -1.26 -4.98 117.35 111.29 1wdk s TYR 210 Ca 0.18 -0.80 -0.21 0.00 -0.52 0.00 0.00 57.07 55.72 1wdk s TYR 210 Cb 0.18 -0.18 0.01 0.00 0.38 0.00 0.00 41.96 42.35 1wdk s TYR 210 CO -0.03 -0.54 0.69 -0.51 -1.52 0.00 0.00 175.55 173.64 1wdk s ASP 211 N -2.92 6.43 0.42 -0.18 1.01 -1.26 -4.33 116.67 115.85 1wdk s ASP 211 Ca 0.10 0.07 0.09 0.00 0.71 0.00 0.00 52.55 53.52 1wdk s ASP 211 Cb 0.06 -2.35 0.93 0.00 1.01 0.00 0.00 42.92 42.56 1wdk s ASP 211 CO -0.07 -0.70 2.05 -0.33 0.21 0.00 0.00 175.17 176.32 1wdk h GLU 212 N 8.62 0.47 -0.91 8.23 5.08 -1.61 -3.06 114.58 131.40 1wdk h GLU 212 Ca -0.26 -0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.26 1wdk h GLU 212 Cb 1.10 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.17 1wdk h GLU 212 CO 0.88 0.31 0.59 1.79 -1.00 0.00 0.00 179.01 181.58 1wdk h THR 213 N 0.48 0.72 -3.17 1.13 1.35 -1.79 -3.43 112.91 108.20 1wdk h THR 213 Ca 0.17 -0.18 -0.56 0.00 -0.55 0.00 0.00 66.41 65.29 1wdk h THR 213 Cb 0.08 0.16 0.09 0.00 -1.73 0.00 0.00 68.15 66.75 1wdk h THR 213 CO -0.04 0.09 0.68 -0.38 -0.25 0.00 0.00 175.52 175.63 1wdk n ILE 214 N -4.55 1.37 -3.72 6.82 5.41 -0.99 -4.84 119.36 118.86 1wdk n ILE 214 Ca 0.19 -0.34 -0.29 0.00 1.00 0.00 0.00 62.75 63.30 1wdk n ILE 214 Cb 0.63 -1.70 -0.13 0.00 -0.71 0.00 0.00 39.64 37.73 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 -1.03 1.33 0.61 0.38 0.52 -1.26 -5.00 118.95 114.51 1wdk s ARG 215 Ca 0.62 -2.05 0.34 0.00 -0.52 0.00 0.00 55.73 54.11 1wdk s ARG 215 Cb -0.56 -2.38 1.97 0.00 0.52 0.00 0.00 34.95 34.51 1wdk s ARG 215 CO 0.54 -1.17 2.26 -1.35 0.02 0.00 0.00 175.30 175.61 1wdk h PRO 216 N 6.68 0.00 -0.18 3.54 0.11 -1.93 -2.42 132.00 137.79 1wdk h PRO 216 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1wdk h PRO 216 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1wdk h PRO 216 CO 0.49 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.88 1wdk n ASP 217 N -3.60 0.46 -4.64 -2.05 5.75 -1.26 -4.83 116.55 106.38 1wdk n ASP 217 Ca -0.02 -2.01 -0.43 0.00 -0.01 0.00 0.00 54.79 52.32 1wdk n ASP 217 Cb 0.12 -0.10 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 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 -1.82 4.52 0.35 2.12 2.01 -0.91 -4.90 115.64 117.01 1wdk s THR 218 Ca 0.04 1.68 0.04 0.00 0.31 0.00 0.00 61.69 63.76 1wdk s THR 218 Cb 0.02 -4.41 -0.06 0.00 0.01 0.00 0.00 72.50 68.06 1wdk s THR 218 CO 0.02 -0.49 0.05 0.42 -0.69 0.00 0.00 174.62 173.94 1wdk s THR 219 N 3.64 1.28 0.33 -0.82 -4.23 -1.26 -4.78 115.64 109.79 1wdk s THR 219 Ca 0.45 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 1wdk s THR 219 Cb -0.12 -2.77 0.27 0.00 1.34 0.00 0.00 72.50 71.22 1wdk s THR 219 CO 0.16 0.00 1.99 -0.07 -0.54 0.00 0.00 174.62 176.16 1wdk h LEU 220 N 2.00 0.81 -0.16 4.79 3.38 -1.95 -1.56 115.31 122.61 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 1.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1wdk h LEU 220 CO 0.71 0.58 0.05 -0.33 0.09 0.00 0.00 178.44 179.54 1wdk h GLU 221 N 0.95 0.25 -0.24 1.13 3.07 -1.98 -0.20 114.58 117.56 1wdk h GLU 221 Ca 0.27 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.00 1wdk h GLU 221 Cb -0.08 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 1wdk h GLU 221 CO -0.06 0.36 -0.18 0.66 -1.40 0.00 0.00 179.01 178.39 1wdk h SER 222 N 0.09 0.40 0.69 1.42 4.64 -1.83 -2.83 113.55 116.13 1wdk h SER 222 Ca 0.05 -0.11 -0.19 0.00 -0.47 0.00 0.00 61.79 61.07 1wdk h SER 222 Cb 0.22 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1wdk h SER 222 CO -0.00 0.60 -0.87 -0.07 -0.87 0.00 0.00 176.83 175.62 1wdk h LEU 223 N 0.38 0.15 -1.71 5.97 3.38 -1.17 -3.15 115.31 119.15 1wdk h LEU 223 Ca 0.07 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1wdk h LEU 223 Cb 0.54 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1wdk h LEU 223 CO 0.03 0.94 -0.15 0.00 0.09 0.00 0.00 178.44 179.35 1wdk h ALA 224 N 1.05 1.22 0.00 1.53 0.00 -0.79 -2.00 119.26 120.27 1wdk h ALA 224 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wdk h ALA 224 Cb 1.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1wdk h ALA 224 CO 0.12 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1wdk n ALA 225 N -2.27 2.20 -1.80 0.00 0.00 -1.12 -4.83 120.51 112.69 1wdk n ALA 225 Ca -0.01 -0.02 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 1wdk n ALA 225 Cb 0.29 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1wdk n ALA 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wdk s LEU 226 N -4.31 3.86 0.17 0.00 1.43 -0.75 -5.05 118.68 114.01 1wdk s LEU 226 Ca 0.10 1.93 0.03 0.00 -1.03 0.00 0.00 54.13 55.17 1wdk s LEU 226 Cb 0.13 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.76 1wdk s LEU 226 CO 0.56 -0.77 0.28 -0.54 0.23 0.00 0.00 176.35 176.10 1wdk s LYS 227 N -3.21 3.37 0.42 1.70 1.02 -1.26 -5.04 119.74 116.74 1wdk s LYS 227 Ca 0.67 -0.66 -0.24 0.00 0.02 0.00 0.00 55.97 55.76 1wdk s LYS 227 Cb -0.17 -2.91 -0.10 0.00 -0.52 0.00 0.00 37.83 34.13 1wdk s LYS 227 CO 0.20 0.50 1.04 -2.30 -0.92 0.00 0.00 175.35 173.87 1wdk n PRO 228 N -0.66 1.41 -0.01 -1.68 -0.02 -1.26 -4.53 135.00 128.25 1wdk n PRO 228 Ca -0.07 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 62.02 1wdk n PRO 228 Cb 0.55 -2.08 -0.16 0.00 -0.02 0.00 0.00 33.50 31.79 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 -0.45 2.86 0.00 3.55 0.00 0.01 -4.67 120.51 121.81 1wdk n ALA 229 Ca 0.09 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1wdk n ALA 229 Cb 0.39 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.21 0.00 -3.55 0.00 3.01 -1.26 -4.95 117.46 108.51 1wdk n PHE 230 Ca -0.04 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.13 1wdk n PHE 230 Cb 0.54 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.88 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 -1.64 3.37 0.26 4.37 3.84 -1.26 -4.92 114.94 118.96 1wdk s ASN 231 Ca 0.00 -1.84 -0.02 0.00 0.21 0.00 0.00 52.86 51.21 1wdk s ASN 231 Cb 0.00 -0.50 0.54 0.00 -0.55 0.00 0.00 41.25 40.74 1wdk s ASN 231 CO 0.00 -0.36 1.71 -0.65 -2.79 0.00 0.00 177.10 175.01 1wdk h PRO 232 N 7.62 0.39 -3.58 0.43 0.11 -1.92 -0.17 132.00 134.87 1wdk h PRO 232 Ca -0.06 -0.02 -0.76 0.00 0.11 0.00 0.00 66.00 65.26 1wdk h PRO 232 Cb 0.99 -0.09 -0.30 0.00 0.11 0.00 0.00 31.00 31.71 1wdk h PRO 232 CO 0.37 0.26 0.13 0.15 -0.21 0.00 0.00 178.00 178.70 1wdk s LYS 233 N -5.98 3.63 0.00 1.05 3.01 -1.26 -4.53 119.74 115.65 1wdk s LYS 233 Ca -0.12 -2.94 0.00 0.00 -1.01 0.00 0.00 55.97 51.89 1wdk s LYS 233 Cb 0.22 -4.28 0.00 0.00 -1.01 0.00 0.00 37.83 32.76 1wdk s LYS 233 CO 0.77 -1.25 0.00 0.41 0.51 0.00 0.00 175.35 175.79 1wdk n GLY 234 N 3.06 1.81 3.69 -3.33 0.00 -1.25 -5.10 105.19 104.07 1wdk n GLY 234 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.67 0.29 0.00 -0.02 0.00 -0.08 -4.95 105.19 99.76 1wdk n GLY 235 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.92 0.00 -2.91 2.61 -2.24 -1.26 -4.70 114.28 103.85 1wdk n THR 236 Ca 0.15 -0.13 -0.40 0.00 -2.27 0.00 0.00 64.05 61.40 1wdk n THR 236 Cb 0.48 0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.76 4.79 0.41 2.28 1.01 -1.26 -4.78 120.40 121.09 1wdk s VAL 237 Ca -0.00 1.73 0.04 0.00 0.00 0.00 0.00 61.98 63.75 1wdk s VAL 237 Cb 0.00 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1wdk s VAL 237 CO 0.01 0.30 0.12 0.42 0.00 0.00 0.00 175.10 175.94 1wdk s THR 238 N 0.32 0.68 0.40 3.92 -4.23 -1.26 -0.81 115.64 114.66 1wdk s THR 238 Ca 0.42 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.03 1wdk s THR 238 Cb -0.20 -2.37 0.17 0.00 1.34 0.00 0.00 72.50 71.44 1wdk s THR 238 CO 0.24 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.26 1wdk h ALA 239 N 1.79 1.56 0.00 3.99 0.00 -1.94 -2.52 119.26 122.14 1wdk h ALA 239 Ca -0.36 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1wdk h ALA 239 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wdk h ALA 239 CO 0.59 0.32 0.00 0.78 0.00 0.00 0.00 179.25 180.94 1wdk h GLY 240 N 0.67 0.00 -0.96 0.00 0.00 -1.94 -3.00 103.07 97.84 1wdk h GLY 240 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1wdk h GLY 240 CO 0.02 0.00 -0.01 -1.30 0.00 0.00 0.00 176.54 175.25 1wdk n THR 241 N -3.01 2.14 -4.33 4.70 -2.24 -0.96 -4.84 114.28 105.73 1wdk n THR 241 Ca 0.01 -2.09 -0.29 0.00 -2.27 0.00 0.00 64.05 59.41 1wdk n THR 241 Cb 0.31 -0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.36 3.81 0.63 3.42 0.01 -1.13 -1.57 113.70 116.50 1wdk s SER 242 Ca 0.38 -0.63 -0.18 0.00 1.31 0.00 0.00 55.95 56.83 1wdk s SER 242 Cb 0.32 -0.49 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 1wdk s SER 242 CO 0.06 0.16 1.26 -0.94 0.41 0.00 0.00 173.24 174.19 1wdk s SER 243 N -2.33 4.80 0.57 2.44 1.04 -0.11 -4.66 113.70 115.45 1wdk s SER 243 Ca 0.19 2.54 -0.08 0.00 0.48 0.00 0.00 55.95 59.08 1wdk s SER 243 Cb -0.10 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.39 1wdk s SER 243 CO 0.10 -1.87 0.91 -1.10 0.98 0.00 0.00 173.24 172.27 1wdk s GLN 244 N -3.37 3.38 -0.61 4.02 -0.21 -1.20 -4.84 119.66 116.84 1wdk s GLN 244 Ca 0.81 0.36 -0.22 0.00 0.02 0.00 0.00 55.36 56.33 1wdk s GLN 244 Cb -0.35 -2.23 0.07 0.00 1.00 0.00 0.00 33.01 31.50 1wdk s GLN 244 CO 0.37 -0.49 0.88 0.42 -2.12 0.00 0.00 175.29 174.36 1wdk s ILE 245 N -2.98 4.47 0.34 1.08 1.01 -1.26 -2.22 121.20 121.64 1wdk s ILE 245 Ca 0.52 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.94 1wdk s ILE 245 Cb -0.11 -4.58 -0.07 0.00 0.01 0.00 0.00 42.46 37.72 1wdk s ILE 245 CO 0.48 -1.25 -0.08 -0.89 0.00 0.00 0.00 174.94 173.20 1wdk s THR 246 N 3.68 2.16 -0.17 2.92 2.01 -1.26 -2.67 115.64 122.30 1wdk s THR 246 Ca 0.22 -2.18 -0.00 0.00 0.31 0.00 0.00 61.69 60.03 1wdk s THR 246 Cb -0.17 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.68 1wdk s THR 246 CO 0.12 -0.19 -0.15 -1.81 -0.69 0.00 0.00 174.62 171.90 1wdk s ASP 247 N -3.60 3.59 -0.01 3.53 1.01 -0.57 -3.40 116.67 117.21 1wdk s ASP 247 Ca 0.32 -0.52 -0.29 0.00 0.71 0.00 0.00 52.55 52.77 1wdk s ASP 247 Cb 0.03 -1.56 0.10 0.00 1.01 0.00 0.00 42.92 42.50 1wdk s ASP 247 CO 0.16 0.04 0.99 -0.83 0.21 0.00 0.00 175.17 175.74 1wdk s GLY 248 N 1.08 -0.39 0.03 0.21 0.00 -0.92 -2.36 107.32 104.97 1wdk s GLY 248 Ca -0.00 0.95 0.01 0.00 0.00 0.00 0.00 44.72 45.68 1wdk s GLY 248 CO -0.05 0.30 -0.05 0.00 0.00 0.00 0.00 173.10 173.31 1wdk s ALA 249 N -2.96 0.32 0.11 3.20 0.00 -1.26 -2.19 121.76 118.98 1wdk s ALA 249 Ca 0.08 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.40 1wdk s ALA 249 Cb -0.01 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1wdk s ALA 249 CO -0.06 -0.12 -0.12 -1.54 0.00 0.00 0.00 175.76 173.92 1wdk s SER 250 N -1.58 1.79 -0.06 0.00 1.04 -0.30 -1.82 113.70 112.77 1wdk s SER 250 Ca -0.12 -0.82 -0.18 0.00 0.48 0.00 0.00 55.95 55.31 1wdk s SER 250 Cb -0.09 -0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.03 1wdk s SER 250 CO -0.01 -0.19 0.42 0.00 0.98 0.00 0.00 173.24 174.44 1wdk s MET 252 N -0.93 0.37 -0.22 0.00 -1.94 0.49 -1.22 119.30 115.84 1wdk s MET 252 Ca -0.10 -0.11 -0.07 0.00 -1.71 0.00 0.00 55.69 53.70 1wdk s MET 252 Cb -0.04 0.16 -0.03 0.00 2.01 0.00 0.00 34.83 36.93 1wdk s MET 252 CO 0.05 -0.08 0.06 0.42 -0.01 0.00 0.00 175.02 175.46 1wdk s ILE 253 N -0.73 4.46 -0.02 2.53 1.01 -0.97 -1.12 121.20 126.36 1wdk s ILE 253 Ca -0.08 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.49 1wdk s ILE 253 Cb -0.05 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 1wdk s ILE 253 CO 0.01 0.38 -0.18 -0.69 0.00 0.00 0.00 174.94 174.46 1wdk s VAL 254 N 1.16 1.42 0.15 2.92 1.01 -0.02 -0.86 120.40 126.17 1wdk s VAL 254 Ca 0.04 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 1wdk s VAL 254 Cb -0.14 -1.18 0.05 0.00 0.00 0.00 0.00 36.38 35.11 1wdk s VAL 254 CO 0.03 0.40 0.51 0.00 0.00 0.00 0.00 175.10 176.05 1wdk s MET 255 N -0.39 1.20 0.71 2.72 0.23 -0.39 0.23 119.30 123.61 1wdk s MET 255 Ca 0.06 -0.60 -0.16 0.00 -1.03 0.00 0.00 55.69 53.96 1wdk s MET 255 Cb -0.07 0.53 0.01 0.00 -1.53 0.00 0.00 34.83 33.77 1wdk s MET 255 CO -0.01 -0.50 1.06 -1.13 -2.03 0.00 0.00 175.02 172.41 1wdk n SER 256 N -0.31 0.90 -0.30 -1.18 3.41 -0.58 -0.91 113.62 114.64 1wdk n SER 256 Ca -0.16 0.70 -0.06 0.00 -0.26 0.00 0.00 58.87 59.10 1wdk n SER 256 Cb 0.64 -1.45 0.07 0.00 -0.26 0.00 0.00 64.21 63.21 1wdk n SER 256 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wdk h ALA 257 N -0.10 1.05 -0.34 7.33 0.00 -0.63 -1.86 119.26 124.71 1wdk h ALA 257 Ca -0.48 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.30 1wdk h ALA 257 Cb 1.33 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1wdk h ALA 257 CO 0.48 0.66 0.01 0.37 0.00 0.00 0.00 179.25 180.77 1wdk h GLN 258 N 1.17 0.10 -0.56 0.00 5.75 -1.55 0.35 115.11 120.38 1wdk h GLN 258 Ca 0.27 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.69 1wdk h GLN 258 Cb 0.19 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1wdk h GLN 258 CO -0.03 0.07 0.06 -0.09 -2.65 0.00 0.00 178.83 176.20 1wdk h ARG 259 N 0.11 0.91 -0.51 1.69 9.65 -1.77 -0.93 114.38 123.52 1wdk h ARG 259 Ca 0.16 -0.23 -0.07 0.00 -1.10 0.00 0.00 59.98 58.74 1wdk h ARG 259 Cb 0.22 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 1wdk h ARG 259 CO -0.26 0.86 0.03 0.00 2.80 0.00 0.00 179.97 183.40 1wdk h ALA 260 N 1.21 1.09 0.48 2.80 0.00 -0.36 -0.95 119.26 123.52 1wdk h ALA 260 Ca 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1wdk h ALA 260 Cb 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wdk h ALA 260 CO 0.01 0.58 -0.23 0.87 0.00 0.00 0.00 179.25 180.48 1wdk h LYS 261 N 0.79 -0.63 -0.07 0.00 1.57 0.19 -1.99 116.57 116.44 1wdk h LYS 261 Ca 0.16 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.02 1wdk h LYS 261 Cb 0.44 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 1wdk h LYS 261 CO 0.02 -0.37 -0.38 -0.44 -0.57 0.00 0.00 179.45 177.71 1wdk h ASP 262 N -0.76 -1.16 0.15 0.86 3.32 -1.00 0.61 116.42 118.44 1wdk h ASP 262 Ca -0.07 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1wdk h ASP 262 Cb 0.55 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1wdk h ASP 262 CO 0.11 -0.41 0.00 0.18 -1.72 0.00 0.00 179.24 177.39 1wdk n LEU 263 N -5.43 0.00 -3.52 1.55 4.77 -0.38 -4.87 117.00 109.12 1wdk n LEU 263 Ca -0.04 0.29 -0.19 0.00 -0.03 0.00 0.00 56.01 56.04 1wdk n LEU 263 Cb 0.35 -0.29 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1wdk n LEU 263 CO 0.15 -0.22 0.07 0.61 -1.33 0.00 0.00 177.39 176.67 1wdk n GLY 264 N -0.65 -0.35 3.13 -0.72 0.00 0.21 -5.01 105.19 101.79 1wdk n GLY 264 Ca 0.03 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -6.50 1.88 -0.14 0.99 2.34 -0.89 -5.06 118.68 111.30 1wdk s LEU 265 Ca 0.04 -0.40 -0.29 0.00 0.06 0.00 0.00 54.13 53.53 1wdk s LEU 265 Cb -0.02 -1.06 -0.03 0.00 -0.56 0.00 0.00 46.19 44.52 1wdk s LEU 265 CO 0.75 0.12 1.41 -0.70 -1.06 0.00 0.00 176.35 176.87 1wdk s GLU 266 N 0.33 4.17 0.40 1.48 2.56 -1.26 -4.72 118.70 121.67 1wdk s GLU 266 Ca -0.12 1.80 -0.27 0.00 0.00 0.00 0.00 54.97 56.39 1wdk s GLU 266 Cb -0.15 -3.86 -0.10 0.00 2.00 0.00 0.00 34.13 32.02 1wdk s GLU 266 CO 0.05 -0.81 1.37 -2.30 -0.56 0.00 0.00 175.26 173.00 1wdk n PRO 267 N 6.87 2.23 0.13 4.30 -0.02 -1.26 -4.90 135.00 142.35 1wdk n PRO 267 Ca 0.15 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1wdk n PRO 267 Cb 0.44 -2.50 0.07 0.00 -0.02 0.00 0.00 33.50 31.50 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 2.44 0.00 0.00 2.45 5.85 -1.01 -3.48 115.31 121.57 1wdk h LEU 268 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1wdk h LEU 268 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1wdk h LEU 268 CO 0.62 0.63 0.00 0.00 -0.34 0.00 0.00 178.44 179.34 1wdk n ALA 269 N -2.30 0.00 -2.65 1.25 0.00 -1.22 -4.86 120.51 110.73 1wdk n ALA 269 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 1wdk n ALA 269 Cb 0.73 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.05 1wdk n ALA 269 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wdk s VAL 270 N -2.00 1.10 0.01 0.00 1.01 -0.17 -1.46 120.40 118.90 1wdk s VAL 270 Ca 0.00 -0.99 -0.25 0.00 0.00 0.00 0.00 61.98 60.73 1wdk s VAL 270 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1wdk s VAL 270 CO 0.00 0.00 0.78 -0.63 0.00 0.00 0.00 175.10 175.25 1wdk s ILE 271 N -0.85 4.82 -0.05 2.22 1.01 -0.60 -0.59 121.20 127.16 1wdk s ILE 271 Ca 0.01 1.64 0.10 0.00 0.00 0.00 0.00 60.65 62.41 1wdk s ILE 271 Cb -0.08 -4.12 -0.15 0.00 0.01 0.00 0.00 42.46 38.11 1wdk s ILE 271 CO 0.01 0.31 0.16 0.54 0.00 0.00 0.00 174.94 175.96 1wdk n ARG 272 N 3.17 1.11 -3.56 2.79 5.12 0.14 -4.63 116.66 120.81 1wdk n ARG 272 Ca -0.01 -0.06 -0.09 0.00 -1.93 0.00 0.00 57.85 55.76 1wdk n ARG 272 Cb 0.51 -1.26 -0.04 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 -3.64 -0.32 0.04 0.55 1.04 -1.19 -4.50 113.70 105.67 1wdk s SER 273 Ca -0.04 0.20 -0.00 0.00 0.48 0.00 0.00 55.95 56.58 1wdk s SER 273 Cb 0.05 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1wdk s SER 273 CO 0.44 -0.41 -0.04 -0.04 0.98 0.00 0.00 173.24 174.17 1wdk s MET 274 N -1.97 0.47 -0.24 4.02 -1.94 -1.26 -1.15 119.30 117.23 1wdk s MET 274 Ca 0.02 -0.90 -0.27 0.00 -1.71 0.00 0.00 55.69 52.83 1wdk s MET 274 Cb -0.01 0.10 0.14 0.00 2.01 0.00 0.00 34.83 37.08 1wdk s MET 274 CO -0.03 -0.07 1.10 0.00 -0.01 0.00 0.00 175.02 176.01 1wdk s ALA 275 N -2.55 -2.00 0.27 3.03 0.00 -0.65 -4.69 121.76 115.16 1wdk s ALA 275 Ca -0.05 1.75 0.08 0.00 0.00 0.00 0.00 51.96 53.74 1wdk s ALA 275 Cb -0.02 -1.25 -0.05 0.00 0.00 0.00 0.00 23.12 21.80 1wdk s ALA 275 CO -0.05 -0.24 -0.10 0.14 0.00 0.00 0.00 175.76 175.51 1wdk s VAL 276 N -0.33 1.81 0.01 0.00 -7.23 -1.26 -0.38 120.40 113.02 1wdk s VAL 276 Ca 0.02 -2.19 -0.28 0.00 -1.81 0.00 0.00 61.98 57.73 1wdk s VAL 276 Cb -0.03 -2.34 0.10 0.00 0.56 0.00 0.00 36.38 34.66 1wdk s VAL 276 CO -0.05 -0.38 0.83 0.00 -0.31 0.00 0.00 175.10 175.19 1wdk s ALA 277 N -2.91 -1.79 0.18 1.32 0.00 -0.06 -4.81 121.76 113.69 1wdk s ALA 277 Ca 0.28 0.98 0.09 0.00 0.00 0.00 0.00 51.96 53.30 1wdk s ALA 277 Cb 0.02 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1wdk s ALA 277 CO 0.11 -0.66 -0.09 0.20 0.00 0.00 0.00 175.76 175.32 1wdk s GLY 278 N -2.36 1.73 0.26 0.00 0.00 -1.26 -0.25 107.32 105.44 1wdk s GLY 278 Ca 0.03 -1.48 -0.02 0.00 0.00 0.00 0.00 44.72 43.25 1wdk s GLY 278 CO -0.08 -1.50 0.31 -1.34 0.00 0.00 0.00 173.10 170.49 1wdk s VAL 279 N -1.72 0.00 0.35 1.40 -7.23 -0.38 -4.93 120.40 107.89 1wdk s VAL 279 Ca 0.25 -1.79 -0.28 0.00 -1.81 0.00 0.00 61.98 58.35 1wdk s VAL 279 Cb -0.09 -2.47 -0.11 0.00 0.56 0.00 0.00 36.38 34.28 1wdk s VAL 279 CO 0.15 0.00 1.41 -1.81 -0.31 0.00 0.00 175.10 174.54 1wdk s ASP 280 N -3.19 6.54 0.26 4.85 1.01 -1.26 -4.37 116.67 120.51 1wdk s ASP 280 Ca 0.34 2.88 -0.02 0.00 0.71 0.00 0.00 52.55 56.46 1wdk s ASP 280 Cb 0.03 -2.66 0.51 0.00 1.01 0.00 0.00 42.92 41.81 1wdk s ASP 280 CO 0.16 -0.72 1.75 -0.65 0.21 0.00 0.00 175.17 175.92 1wdk h PRO 281 N 3.27 0.55 -0.83 8.23 0.11 -1.87 -2.21 132.00 139.26 1wdk h PRO 281 Ca -0.50 -0.03 0.21 0.00 0.11 0.00 0.00 66.00 65.79 1wdk h PRO 281 Cb 1.23 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1wdk h PRO 281 CO 0.65 0.37 0.57 0.00 -0.21 0.00 0.00 178.00 179.38 1wdk h ALA 282 N 1.55 2.43 -1.27 -0.75 0.00 -1.91 -2.11 119.26 117.20 1wdk h ALA 282 Ca 0.45 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.79 1wdk h ALA 282 Cb 0.64 0.01 -0.42 0.00 0.00 0.00 0.00 17.79 18.02 1wdk h ALA 282 CO -0.37 -0.68 -0.79 0.44 0.00 0.00 0.00 179.25 177.85 1wdk n ILE 283 N -4.42 2.32 -0.25 0.00 -5.35 -0.84 -4.43 119.36 106.39 1wdk n ILE 283 Ca 0.17 -4.61 0.15 0.00 -0.27 0.00 0.00 62.75 58.19 1wdk n ILE 283 Cb 0.75 -1.08 0.43 0.00 -1.74 0.00 0.00 39.64 38.00 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 2.50 0.55 0.00 6.28 -0.00 -1.26 -1.40 114.93 121.60 1wdk h MET 284 Ca 0.29 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.95 1wdk h MET 284 Cb 1.10 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 32.58 1wdk h MET 284 CO 0.79 0.37 0.24 0.78 -0.00 0.00 0.00 176.91 179.09 1wdk h GLY 285 N 0.57 0.00 1.06 -3.00 0.00 -1.87 0.61 103.07 100.44 1wdk h GLY 285 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1wdk h GLY 285 CO -0.20 0.00 -0.12 2.98 0.00 0.00 0.00 176.54 179.21 1wdk n TYR 286 N -2.74 0.00 -0.33 5.60 9.36 -0.53 -4.35 117.16 124.17 1wdk n TYR 286 Ca -0.02 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.42 1wdk n TYR 286 Cb 0.29 -0.22 0.44 0.00 -0.63 0.00 0.00 39.34 39.22 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 1.99 0.37 2.98 0.00 -1.04 -2.58 103.07 109.76 1wdk h GLY 287 Ca 0.00 -0.24 0.15 0.00 0.00 0.00 0.00 47.33 47.24 1wdk h GLY 287 CO 0.00 -0.43 0.62 -2.55 0.00 0.00 0.00 176.54 174.18 1wdk h PRO 288 N 0.37 0.83 -0.31 4.80 0.11 -1.76 -2.81 132.00 133.23 1wdk h PRO 288 Ca 0.70 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.72 1wdk h PRO 288 Cb 1.54 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1wdk h PRO 288 CO -0.58 0.55 0.02 -0.39 -0.21 0.00 0.00 178.00 177.39 1wdk h VAL 289 N 0.86 1.25 -0.62 3.15 -1.51 -1.81 0.33 116.25 117.90 1wdk h VAL 289 Ca 0.52 -0.89 -0.06 0.00 -1.23 0.00 0.00 66.70 65.03 1wdk h VAL 289 Cb 0.68 1.22 -0.03 0.00 -2.13 0.00 0.00 31.29 31.03 1wdk h VAL 289 CO -0.29 0.29 0.14 -0.65 -1.23 0.00 0.00 177.57 175.83 1wdk h PRO 290 N 0.35 1.00 -0.43 5.19 0.11 -1.69 -2.02 132.00 134.51 1wdk h PRO 290 Ca 0.09 -0.25 -0.05 0.00 0.11 0.00 0.00 66.00 65.90 1wdk h PRO 290 Cb 0.40 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 1wdk h PRO 290 CO 0.01 0.92 0.06 0.00 -0.21 0.00 0.00 178.00 178.78 1wdk h ALA 291 N 1.04 0.57 -0.79 -0.75 0.00 -1.34 -2.49 119.26 115.50 1wdk h ALA 291 Ca 0.19 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1wdk h ALA 291 Cb 0.38 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1wdk h ALA 291 CO 0.00 0.30 0.31 1.15 0.00 0.00 0.00 179.25 181.02 1wdk h THR 292 N 0.57 1.26 -0.42 0.00 2.02 -0.30 -1.36 112.91 114.68 1wdk h THR 292 Ca 0.13 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 1wdk h THR 292 Cb 0.40 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1wdk h THR 292 CO 0.01 0.34 0.17 1.56 0.37 0.00 0.00 175.52 177.97 1wdk h GLN 293 N 1.16 0.63 -0.68 6.66 4.20 -1.24 0.11 115.11 125.94 1wdk h GLN 293 Ca 0.26 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1wdk h GLN 293 Cb 0.23 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1wdk h GLN 293 CO -0.02 0.58 0.18 -0.22 -0.67 0.00 0.00 178.83 178.68 1wdk h LYS 294 N 0.54 1.07 -0.31 1.46 3.64 -1.25 -1.62 116.57 120.10 1wdk h LYS 294 Ca 0.14 -0.24 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 1wdk h LYS 294 Cb 0.18 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1wdk h LYS 294 CO -0.01 0.93 -0.45 0.00 -2.27 0.00 0.00 179.45 177.65 1wdk h ALA 295 N 1.17 0.47 -0.75 5.00 0.00 -0.91 -1.98 119.26 122.26 1wdk h ALA 295 Ca 0.22 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1wdk h ALA 295 Cb 0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1wdk h ALA 295 CO -0.00 0.62 0.26 -0.07 0.00 0.00 0.00 179.25 180.05 1wdk h LEU 296 N 0.64 1.08 -0.61 0.00 3.38 -0.64 -0.40 115.31 118.76 1wdk h LEU 296 Ca 0.03 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1wdk h LEU 296 Cb 1.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1wdk h LEU 296 CO 0.10 0.99 0.23 0.50 0.09 0.00 0.00 178.44 180.35 1wdk h LYS 297 N 1.11 0.92 0.00 1.13 3.64 -1.20 -0.96 116.57 121.21 1wdk h LYS 297 Ca 0.25 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1wdk h LYS 297 Cb 0.28 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1wdk h LYS 297 CO -0.01 0.80 -0.30 0.00 -2.27 0.00 0.00 179.45 177.67 1wdk h ARG 298 N 0.85 0.00 -0.00 1.90 3.08 -0.94 -2.01 114.38 117.26 1wdk h ARG 298 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1wdk h ARG 298 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1wdk h ARG 298 CO -0.01 0.30 -0.20 0.00 -1.07 0.00 0.00 179.97 178.99 1wdk n ALA 299 N -2.43 2.90 -1.89 0.04 0.00 -0.20 -4.89 120.51 114.04 1wdk n ALA 299 Ca -0.02 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.03 1wdk n ALA 299 Cb 0.36 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 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 1.39 0.44 3.72 0.00 0.00 -0.47 -5.01 105.19 105.25 1wdk n GLY 300 Ca 0.10 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.28 2.69 0.20 0.99 1.43 -0.56 -5.03 118.68 115.12 1wdk s LEU 301 Ca 0.00 -1.41 0.11 0.00 -1.03 0.00 0.00 54.13 51.80 1wdk s LEU 301 Cb 0.00 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 1wdk s LEU 301 CO 0.00 -0.67 -0.21 0.20 0.23 0.00 0.00 176.35 175.90 1wdk s ASN 302 N -3.85 3.57 0.53 2.29 0.01 -1.26 -4.39 114.94 111.83 1wdk s ASN 302 Ca 0.25 -0.85 0.32 0.00 -0.71 0.00 0.00 52.86 51.87 1wdk s ASN 302 Cb 0.05 -0.33 1.47 0.00 0.41 0.00 0.00 41.25 42.85 1wdk s ASN 302 CO 0.14 0.11 1.86 -0.03 -1.51 0.00 0.00 177.10 177.66 1wdk h MET 303 N 3.02 0.04 0.00 -0.60 1.85 -1.96 0.12 114.93 117.39 1wdk h MET 303 Ca -0.46 -0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.55 1wdk h MET 303 Cb 1.22 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.23 1wdk h MET 303 CO 0.50 0.02 -0.38 0.00 -0.40 0.00 0.00 176.91 176.66 1wdk h ALA 304 N 1.52 1.20 0.00 0.39 0.00 -1.96 -2.77 119.26 117.64 1wdk h ALA 304 Ca 0.47 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wdk h ALA 304 Cb 1.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1wdk h ALA 304 CO -0.03 0.47 0.00 -0.44 0.00 0.00 0.00 179.25 179.25 1wdk h ASP 305 N 0.00 0.00 -3.25 0.00 3.32 -1.16 -3.43 116.42 111.91 1wdk h ASP 305 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1wdk h ASP 305 Cb 0.75 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 1wdk h ASP 305 CO 0.05 0.00 0.54 -0.63 -1.72 0.00 0.00 179.24 177.47 1wdk s ILE 306 N -3.41 4.80 0.00 0.35 1.01 -1.05 -4.55 121.20 118.36 1wdk s ILE 306 Ca 0.04 1.87 -0.05 0.00 0.00 0.00 0.00 60.65 62.51 1wdk s ILE 306 Cb 0.09 -4.24 -0.28 0.00 0.01 0.00 0.00 42.46 38.04 1wdk s ILE 306 CO 0.46 -0.02 0.86 0.44 0.00 0.00 0.00 174.94 176.68 1wdk h ASP 307 N 7.25 0.44 -4.22 3.58 3.32 -1.32 -3.47 116.42 122.00 1wdk h ASP 307 Ca -0.28 -0.60 -0.25 0.00 0.02 0.00 0.00 57.03 55.92 1wdk h ASP 307 Cb 1.12 -0.14 -0.25 0.00 0.22 0.00 0.00 39.33 40.28 1wdk h ASP 307 CO 0.87 1.49 -0.73 -0.36 -1.72 0.00 0.00 179.24 178.80 1wdk s PHE 308 N -2.61 0.28 -0.02 4.55 0.40 -1.10 -4.64 117.98 114.83 1wdk s PHE 308 Ca -0.09 -0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.07 1wdk s PHE 308 Cb 0.07 -0.18 -0.01 0.00 0.51 0.00 0.00 43.02 43.40 1wdk s PHE 308 CO 0.86 -0.06 -0.17 0.42 0.70 0.00 0.00 175.22 176.97 1wdk s ILE 309 N -0.57 1.36 -0.23 0.64 1.01 0.40 -1.21 121.20 122.60 1wdk s ILE 309 Ca -0.05 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1wdk s ILE 309 Cb -0.04 -1.14 0.06 0.00 0.01 0.00 0.00 42.46 41.34 1wdk s ILE 309 CO -0.00 0.39 -0.08 -1.61 0.00 0.00 0.00 174.94 173.63 1wdk s GLU 310 N -0.33 1.89 -0.18 2.79 0.41 0.48 -1.11 118.70 122.65 1wdk s GLU 310 Ca 0.05 -1.05 -0.00 0.00 -0.41 0.00 0.00 54.97 53.56 1wdk s GLU 310 Cb -0.07 -2.63 0.01 0.00 -1.78 0.00 0.00 34.13 29.66 1wdk s GLU 310 CO -0.00 -0.55 -0.16 -1.17 -0.49 0.00 0.00 175.26 172.89 1wdk s LEU 311 N 1.32 2.38 0.24 1.80 2.96 -1.26 -0.90 118.68 125.22 1wdk s LEU 311 Ca -0.05 -0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 53.00 1wdk s LEU 311 Cb -0.18 -1.55 -0.11 0.00 0.50 0.00 0.00 46.19 44.85 1wdk s LEU 311 CO -0.06 0.02 1.55 0.21 -1.32 0.00 0.00 176.35 176.75 1wdk s ASN 312 N 1.17 6.50 -1.21 3.68 2.47 -0.88 -4.86 114.94 121.82 1wdk s ASN 312 Ca 0.01 2.79 -0.12 0.00 0.42 0.00 0.00 52.86 55.96 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 -0.07 -0.83 1.48 -0.62 -3.72 0.00 0.00 177.10 173.34 1wdk n GLU 313 N 2.76 3.49 -0.03 0.43 1.02 -1.26 -4.77 120.64 122.29 1wdk n GLU 313 Ca 0.10 -3.90 -0.12 0.00 -0.02 0.00 0.00 57.16 53.21 1wdk n GLU 313 Cb 0.38 -2.93 -0.08 0.00 -0.02 0.00 0.00 31.44 28.80 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 6.73 0.11 -2.49 0.62 0.00 -1.94 -3.32 119.26 118.97 1wdk h ALA 314 Ca 0.31 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1wdk h ALA 314 Cb 0.82 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.36 1wdk h ALA 314 CO 1.29 -0.19 -0.13 -0.06 0.00 0.00 0.00 179.25 180.16 1wdk s PHE 315 N -4.83 -0.48 0.36 0.00 0.08 -1.26 -0.93 117.98 110.91 1wdk s PHE 315 Ca -0.15 1.09 0.03 0.00 0.12 0.00 0.00 56.93 58.03 1wdk s PHE 315 Cb 0.04 0.19 0.67 0.00 -0.57 0.00 0.00 43.02 43.35 1wdk s PHE 315 CO 0.70 -0.32 2.01 0.00 -0.10 0.00 0.00 175.22 177.51 1wdk h ALA 316 N 4.82 1.57 -0.01 5.36 0.00 -1.61 -0.60 119.26 128.80 1wdk h ALA 316 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wdk h ALA 316 Cb 1.17 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1wdk h ALA 316 CO 0.26 0.39 0.02 0.00 0.00 0.00 0.00 179.25 179.92 1wdk h ALA 317 N 1.62 1.31 0.00 0.00 0.00 -1.90 -1.80 119.26 118.48 1wdk h ALA 317 Ca 0.23 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1wdk h ALA 317 Cb -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1wdk h ALA 317 CO -0.05 -0.03 -1.87 0.00 0.00 0.00 0.00 179.25 177.31 1wdk n GLN 318 N -3.48 1.17 0.06 0.00 -0.00 -0.47 -3.96 117.38 110.70 1wdk n GLN 318 Ca -0.03 -0.06 -0.13 0.00 -0.00 0.00 0.00 57.00 56.78 1wdk n GLN 318 Cb 0.10 -1.37 -0.09 0.00 -0.00 0.00 0.00 30.24 28.89 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 1.00 -0.18 -0.49 2.61 0.00 -0.82 -3.01 119.26 118.37 1wdk h ALA 319 Ca -0.23 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.54 1wdk h ALA 319 Cb 1.39 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1wdk h ALA 319 CO 0.01 -0.38 0.19 -0.07 0.00 0.00 0.00 179.25 179.00 1wdk h LEU 320 N -0.61 0.22 -0.83 0.00 3.38 -1.59 -0.47 115.31 115.41 1wdk h LEU 320 Ca -0.02 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1wdk h LEU 320 Cb 0.47 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1wdk h LEU 320 CO 0.03 0.16 0.44 -0.65 0.09 0.00 0.00 178.44 178.50 1wdk h PRO 321 N 0.38 1.16 -0.41 1.13 0.11 -1.77 -1.17 132.00 131.44 1wdk h PRO 321 Ca 0.23 -0.15 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1wdk h PRO 321 Cb 0.22 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1wdk h PRO 321 CO -0.22 0.87 0.20 0.28 -0.21 0.00 0.00 178.00 178.91 1wdk h VAL 322 N 1.15 1.18 -0.71 3.15 2.07 -1.30 -0.62 116.25 121.17 1wdk h VAL 322 Ca 0.29 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1wdk h VAL 322 Cb 0.05 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1wdk h VAL 322 CO -0.04 0.19 0.42 -0.07 0.02 0.00 0.00 177.57 178.09 1wdk h LEU 323 N 0.53 0.87 0.31 2.57 3.38 -0.75 0.17 115.31 122.39 1wdk h LEU 323 Ca 0.14 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1wdk h LEU 323 Cb 0.13 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1wdk h LEU 323 CO -0.02 0.68 -0.15 0.50 0.09 0.00 0.00 178.44 179.55 1wdk h LYS 324 N 0.97 -0.40 0.00 1.13 3.64 -0.86 -1.74 116.57 119.31 1wdk h LYS 324 Ca 0.25 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1wdk h LYS 324 Cb -0.01 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1wdk h LYS 324 CO -0.05 -0.19 -0.04 -0.44 -2.27 0.00 0.00 179.45 176.46 1wdk h ASP 325 N -0.52 0.00 0.74 4.20 5.19 -0.98 0.16 116.42 125.20 1wdk h ASP 325 Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1wdk h ASP 325 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1wdk h ASP 325 CO 0.07 0.04 -0.11 0.18 -3.12 0.00 0.00 179.24 176.30 1wdk n LEU 326 N -3.24 0.17 -2.49 1.55 4.77 0.60 -4.93 117.00 113.42 1wdk n LEU 326 Ca -0.01 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1wdk n LEU 326 Cb 0.23 -0.37 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1wdk n LEU 326 CO 0.26 0.04 0.14 0.29 -1.33 0.00 0.00 177.39 176.79 1wdk n LYS 327 N -1.38 -4.87 -0.24 3.23 5.02 0.56 -4.94 118.16 115.55 1wdk n LYS 327 Ca 0.09 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1wdk n LYS 327 Cb 0.31 -4.65 0.00 0.00 -0.02 0.00 0.00 35.03 30.68 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 -3.83 0.05 -0.30 -0.18 0.24 -0.73 -4.87 118.33 108.72 1wdk n VAL 328 Ca -0.04 -0.06 -0.02 0.00 -2.04 0.00 0.00 64.34 62.17 1wdk n VAL 328 Cb 0.56 0.73 0.14 0.00 -1.47 0.00 0.00 33.84 33.80 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 1.04 0.00 1.34 6.46 -1.82 -0.45 115.31 121.87 1wdk h LEU 329 Ca 0.00 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1wdk h LEU 329 Cb 1.18 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1wdk h LEU 329 CO 0.00 0.81 0.00 -0.90 -0.62 0.00 0.00 178.44 177.73 1wdk n ASP 330 N -4.36 0.00 -0.75 1.25 5.75 -1.26 -2.07 116.55 115.12 1wdk n ASP 330 Ca 0.09 0.46 0.09 0.00 -0.01 0.00 0.00 54.79 55.42 1wdk n ASP 330 Cb 0.07 -0.48 0.10 0.00 -1.03 0.00 0.00 41.12 39.78 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 -1.48 1.65 -0.20 0.11 4.76 -0.25 -4.77 118.16 117.98 1wdk n LYS 331 Ca 0.05 -1.67 -0.10 0.00 -2.87 0.00 0.00 58.31 53.72 1wdk n LYS 331 Cb 0.23 -1.35 -0.08 0.00 -1.84 0.00 0.00 35.03 31.99 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 3.39 -0.18 0.00 1.97 4.05 -0.79 -0.22 114.93 123.15 1wdk h MET 332 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1wdk h MET 332 Cb 0.75 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 1wdk h MET 332 CO 0.00 -0.12 0.00 0.09 0.23 0.00 0.00 176.91 177.11 1wdk n ASN 333 N -4.76 0.02 -0.01 1.39 3.02 -1.26 -0.42 115.26 113.24 1wdk n ASN 333 Ca -0.01 0.51 -0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1wdk n ASN 333 Cb 0.24 -0.51 -0.12 0.00 -0.61 0.00 0.00 39.78 38.78 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 -1.52 0.65 0.00 3.52 2.13 -0.17 -4.79 120.64 120.45 1wdk n GLU 334 Ca 0.02 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1wdk n GLU 334 Cb 0.10 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.15 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 -2.72 0.00 -4.27 5.31 2.85 -0.72 -4.98 118.16 113.63 1wdk n LYS 335 Ca -0.15 -0.13 -0.34 0.00 -1.05 0.00 0.00 58.31 56.64 1wdk n LYS 335 Cb 0.87 -0.18 -0.13 0.00 -0.65 0.00 0.00 35.03 34.94 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 3.75 -1.30 0.58 1.01 0.44 0.15 120.40 125.04 1wdk s VAL 336 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1wdk s VAL 336 Cb 0.00 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1wdk s VAL 336 CO 0.00 0.47 0.32 0.59 0.00 0.00 0.00 175.10 176.47 1wdk n ASN 337 N 3.93 -1.45 0.31 3.32 3.02 -0.27 -4.75 115.26 119.37 1wdk n ASN 337 Ca -0.17 -1.22 0.17 0.00 -0.03 0.00 0.00 54.58 53.33 1wdk n ASN 337 Cb 0.52 -1.48 0.98 0.00 -0.61 0.00 0.00 39.78 39.19 1wdk n ASN 337 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1wdk h LEU 338 N -1.97 0.00 -3.41 3.41 3.38 -1.84 -1.99 115.31 112.89 1wdk h LEU 338 Ca -0.65 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.25 1wdk h LEU 338 Cb 1.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 1wdk h LEU 338 CO 0.58 0.00 0.05 1.41 0.09 0.00 0.00 178.44 180.57 1wdk n HIS 339 N -3.69 1.41 0.00 1.13 8.25 -1.26 -4.82 115.22 116.24 1wdk n HIS 339 Ca -0.03 -1.05 0.00 0.00 -0.26 0.00 0.00 57.72 56.38 1wdk n HIS 339 Cb 0.08 -0.45 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 -0.42 0.52 0.00 -1.41 0.00 -0.75 -3.51 105.19 99.62 1wdk n GLY 340 Ca 0.28 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 0.78 4.33 0.35 -0.02 0.00 -1.26 -4.82 105.19 104.55 1wdk n GLY 341 Ca 0.00 -1.68 0.18 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 1.68 -0.06 4.61 0.00 -1.79 0.47 119.26 125.17 1wdk h ALA 342 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 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 -0.34 -0.34 0.82 0.00 0.00 0.00 179.25 179.39 1wdk h ILE 343 N 0.00 1.26 0.00 0.00 2.04 -1.83 0.37 117.51 119.35 1wdk h ILE 343 Ca 0.08 -1.25 -0.29 0.00 1.00 0.00 0.00 64.86 64.40 1wdk h ILE 343 Cb 0.59 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 1wdk h ILE 343 CO -0.00 0.37 -2.10 0.00 0.00 0.00 0.00 178.15 176.41 1wdk n ALA 344 N -2.47 1.59 0.61 1.87 0.00 -0.21 -4.53 120.51 117.36 1wdk n ALA 344 Ca -0.02 -0.97 0.12 0.00 0.00 0.00 0.00 53.44 52.57 1wdk n ALA 344 Cb 0.40 -0.04 0.09 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.79 0.64 0.00 0.00 4.77 0.15 -2.35 117.00 117.42 1wdk n LEU 345 Ca -0.30 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1wdk n LEU 345 Cb 0.96 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1wdk n LEU 345 CO 0.28 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1wdk n GLY 346 N 1.37 -0.41 2.59 -0.72 0.00 0.13 -4.85 105.19 103.30 1wdk n GLY 346 Ca 0.03 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.14 1.79 -2.50 1.61 -0.00 -0.94 -4.50 115.22 110.54 1wdk n HIS 347 Ca 0.00 -3.93 -0.42 0.00 0.46 0.00 0.00 57.72 53.84 1wdk n HIS 347 Cb 0.00 -0.34 -0.03 0.00 -0.12 0.00 0.00 29.99 29.50 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 -1.23 3.32 0.00 1.57 0.02 -1.26 -4.69 135.00 132.73 1wdk s PRO 348 Ca 0.31 0.18 0.00 0.00 0.02 0.00 0.00 61.00 61.51 1wdk s PRO 348 Cb 0.04 -4.11 0.00 0.00 0.02 0.00 0.00 34.50 30.45 1wdk s PRO 348 CO -0.14 -1.93 0.20 1.19 -0.33 0.00 0.00 177.00 175.98 1wdk n PHE 349 N 9.21 0.00 -0.35 6.54 0.99 -1.26 -0.92 117.46 131.66 1wdk n PHE 349 Ca 0.08 0.00 0.28 0.00 -0.00 0.00 0.00 57.45 57.82 1wdk n PHE 349 Cb 0.49 0.00 0.54 0.00 -1.00 0.00 0.00 39.48 39.51 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 1.91 1.74 1.37 0.00 -1.79 -2.11 103.07 104.19 1wdk h GLY 350 Ca 0.00 -0.19 -0.24 0.00 0.00 0.00 0.00 47.33 46.90 1wdk h GLY 350 CO 0.00 -0.52 -1.07 0.00 0.00 0.00 0.00 176.54 174.95 1wdk h SER 352 N 0.08 -0.10 -0.50 0.00 0.02 -0.53 -2.14 113.55 110.38 1wdk h SER 352 Ca -0.08 0.11 0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1wdk h SER 352 Cb 1.78 0.17 -0.09 0.00 0.14 0.00 0.00 62.40 64.40 1wdk h SER 352 CO 0.17 -0.02 -0.51 1.23 -1.14 0.00 0.00 176.83 176.55 1wdk h GLY 353 N 0.19 -0.79 1.92 -3.77 0.00 -1.74 -1.11 103.07 97.76 1wdk h GLY 353 Ca 0.27 0.66 -0.13 0.00 0.00 0.00 0.00 47.33 48.13 1wdk h GLY 353 CO -0.39 -0.12 -0.61 0.00 0.00 0.00 0.00 176.54 175.42 1wdk h ALA 354 N 0.24 0.95 0.63 3.60 0.00 -1.70 -3.13 119.26 119.83 1wdk h ALA 354 Ca 0.12 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1wdk h ALA 354 Cb 0.57 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wdk h ALA 354 CO -0.65 0.75 -0.36 -0.09 0.00 0.00 0.00 179.25 178.90 1wdk h ARG 355 N 0.06 -0.89 -0.27 0.00 1.12 -0.56 0.28 114.38 114.12 1wdk h ARG 355 Ca -0.01 0.06 0.08 0.00 -1.11 0.00 0.00 59.98 59.00 1wdk h ARG 355 Cb 1.09 0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 31.24 1wdk h ARG 355 CO 0.08 -0.59 0.20 -0.84 -3.11 0.00 0.00 179.97 175.71 1wdk h ILE 356 N -0.92 0.84 -0.36 1.20 3.07 -1.35 0.13 117.51 120.11 1wdk h ILE 356 Ca -0.08 0.00 -0.16 0.00 1.55 0.00 0.00 64.86 66.16 1wdk h ILE 356 Cb 0.73 0.86 -0.01 0.00 -0.27 0.00 0.00 36.82 38.14 1wdk h ILE 356 CO 0.10 0.00 -0.41 0.28 -1.05 0.00 0.00 178.15 177.07 1wdk h SER 357 N 0.00 0.97 0.02 2.16 0.02 -1.40 -0.81 113.55 114.51 1wdk h SER 357 Ca 0.13 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1wdk h SER 357 Cb 0.52 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1wdk h SER 357 CO -0.00 1.25 -0.01 1.23 -1.14 0.00 0.00 176.83 178.16 1wdk h GLY 358 N 0.79 -0.03 1.23 -3.77 0.00 0.20 -1.96 103.07 99.53 1wdk h GLY 358 Ca 0.05 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.46 1wdk h GLY 358 CO 0.10 -0.01 0.35 -0.84 0.00 0.00 0.00 176.54 176.14 1wdk h THR 359 N -0.30 0.95 -0.02 4.70 2.02 -0.95 -1.85 112.91 117.45 1wdk h THR 359 Ca -0.00 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1wdk h THR 359 Cb 0.29 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1wdk h THR 359 CO 0.00 0.08 0.01 0.25 0.37 0.00 0.00 175.52 176.23 1wdk h LEU 360 N 0.42 0.03 -0.85 2.58 5.85 -0.76 -0.94 115.31 121.64 1wdk h LEU 360 Ca 0.23 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1wdk h LEU 360 Cb 0.37 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 1wdk h LEU 360 CO -0.06 0.20 0.51 -0.07 -0.34 0.00 0.00 178.44 178.68 1wdk h LEU 361 N -0.14 0.75 -0.83 2.25 3.38 -0.59 0.70 115.31 120.83 1wdk h LEU 361 Ca 0.01 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1wdk h LEU 361 Cb 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1wdk h LEU 361 CO -0.00 0.45 -0.53 0.78 0.09 0.00 0.00 178.44 179.23 1wdk h ASN 362 N 0.87 0.16 -0.48 -0.43 2.35 -1.25 -0.92 115.58 115.87 1wdk h ASN 362 Ca 0.40 -0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.96 1wdk h ASN 362 Cb 0.31 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1wdk h ASN 362 CO -0.22 0.66 -0.11 0.58 -1.65 0.00 0.00 177.43 176.68 1wdk h VAL 363 N 0.11 1.27 -0.41 2.81 2.07 0.15 -1.53 116.25 120.72 1wdk h VAL 363 Ca 0.00 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 1wdk h VAL 363 Cb 0.97 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1wdk h VAL 363 CO 0.08 0.43 0.09 0.24 0.02 0.00 0.00 177.57 178.43 1wdk h MET 364 N 0.77 0.66 -0.28 1.57 2.86 -0.66 -1.77 114.93 118.09 1wdk h MET 364 Ca 0.12 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1wdk h MET 364 Cb 0.66 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1wdk h MET 364 CO 0.05 0.69 0.16 -0.22 1.06 0.00 0.00 176.91 178.64 1wdk h LYS 365 N 0.53 0.39 0.00 1.72 3.64 -1.05 0.15 116.57 121.94 1wdk h LYS 365 Ca 0.13 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1wdk h LYS 365 Cb 0.33 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1wdk h LYS 365 CO 0.00 0.33 -0.35 1.96 -2.27 0.00 0.00 179.45 179.12 1wdk h GLN 366 N 0.34 0.00 -0.21 1.90 4.20 -1.21 -3.20 115.11 116.93 1wdk h GLN 366 Ca 0.10 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1wdk h GLN 366 Cb 0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1wdk h GLN 366 CO -0.02 0.35 -0.00 0.09 -0.67 0.00 0.00 178.83 178.59 1wdk n ASN 367 N -4.03 3.58 -3.09 1.46 3.02 -0.67 -4.99 115.26 110.55 1wdk n ASN 367 Ca -0.02 -3.04 -0.23 0.00 -0.03 0.00 0.00 54.58 51.27 1wdk n ASN 367 Cb 0.40 -0.52 0.03 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.70 -0.52 3.83 7.41 0.00 -0.49 -4.98 105.19 109.74 1wdk n GLY 368 Ca 0.20 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.74 2.14 -0.21 -0.02 0.00 0.41 -5.00 107.32 101.91 1wdk s GLY 369 Ca 0.33 0.29 -0.06 0.00 0.00 0.00 0.00 44.72 45.28 1wdk s GLY 369 CO 0.41 0.59 -0.23 2.41 0.00 0.00 0.00 173.10 176.27 1wdk n THR 370 N -1.58 1.14 -5.23 0.90 -1.04 -1.26 -4.56 114.28 102.66 1wdk n THR 370 Ca 0.07 -0.35 -0.30 0.00 -2.04 0.00 0.00 64.05 61.43 1wdk n THR 370 Cb 0.54 -1.56 -0.16 0.00 -1.82 0.00 0.00 70.33 67.33 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 2.29 0.11 -1.42 0.40 -1.26 0.08 117.98 115.79 1wdk s PHE 371 Ca -0.28 -0.58 0.04 0.00 -0.60 0.00 0.00 56.93 55.51 1wdk s PHE 371 Cb 0.10 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 42.09 1wdk s PHE 371 CO 0.40 -0.14 -0.11 0.20 0.70 0.00 0.00 175.22 176.27 1wdk s GLY 372 N -0.33 0.93 -0.07 4.36 0.00 0.70 -0.94 107.32 111.97 1wdk s GLY 372 Ca 0.02 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1wdk s GLY 372 CO 0.02 -1.34 -0.05 -2.27 0.00 0.00 0.00 173.10 169.46 1wdk s LEU 373 N -2.57 1.13 -0.09 0.66 2.96 -0.35 -0.68 118.68 119.74 1wdk s LEU 373 Ca 0.08 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1wdk s LEU 373 Cb -0.02 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 1wdk s LEU 373 CO 0.01 -0.10 -0.18 -0.94 -1.32 0.00 0.00 176.35 173.82 1wdk s SER 374 N 1.39 3.65 0.08 3.68 1.04 -0.77 -0.39 113.70 122.37 1wdk s SER 374 Ca -0.03 -0.38 -0.20 0.00 0.48 0.00 0.00 55.95 55.83 1wdk s SER 374 Cb -0.13 -1.23 0.04 0.00 0.10 0.00 0.00 66.02 64.80 1wdk s SER 374 CO -0.03 0.22 0.47 0.28 0.98 0.00 0.00 173.24 175.16 1wdk s THR 375 N -0.00 0.04 0.10 2.02 -1.32 -0.08 -1.05 115.64 115.36 1wdk s THR 375 Ca -0.06 -0.37 -0.23 0.00 -1.21 0.00 0.00 61.69 59.82 1wdk s THR 375 Cb -0.15 -1.03 0.06 0.00 -1.51 0.00 0.00 72.50 69.88 1wdk s THR 375 CO 0.05 -0.20 0.58 0.00 -2.21 0.00 0.00 174.62 172.83 1wdk s MET 376 N -2.97 1.18 0.41 7.08 0.23 -0.82 -2.07 119.30 122.34 1wdk s MET 376 Ca -0.02 -0.33 -0.10 0.00 -1.03 0.00 0.00 55.69 54.21 1wdk s MET 376 Cb 0.00 0.54 -0.06 0.00 -1.53 0.00 0.00 34.83 33.78 1wdk s MET 376 CO -0.06 -0.47 0.77 0.00 -2.03 0.00 0.00 175.02 173.23 1wdk s ILE 378 N -2.43 0.97 0.53 0.00 1.01 0.20 -4.61 121.20 116.87 1wdk s ILE 378 Ca 0.50 -0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.56 1wdk s ILE 378 Cb -0.10 -0.89 -0.09 0.00 0.01 0.00 0.00 42.46 41.39 1wdk s ILE 378 CO 0.33 0.31 0.65 0.61 0.00 0.00 0.00 174.94 176.84 1wdk n GLY 379 N 3.72 -1.18 2.22 6.18 0.00 -1.26 -1.74 105.19 113.13 1wdk n GLY 379 Ca -0.22 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 0.46 -1.28 -1.23 0.99 7.99 -1.26 -4.38 117.00 118.28 1wdk n LEU 380 Ca 0.12 0.06 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 1wdk n LEU 380 Cb 0.45 -1.68 0.00 0.00 -0.11 0.00 0.00 43.42 42.08 1wdk n LEU 380 CO 0.52 -0.21 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 1wdk n GLY 381 N -1.19 0.72 3.27 -0.72 0.00 -1.11 -4.43 105.19 101.73 1wdk n GLY 381 Ca -0.12 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.29 1.05 0.00 1.61 -0.21 -0.71 -1.25 119.66 116.87 1wdk s GLN 382 Ca 0.00 -1.21 -0.07 0.00 0.02 0.00 0.00 55.36 54.10 1wdk s GLN 382 Cb 0.00 0.34 0.00 0.00 1.00 0.00 0.00 33.01 34.35 1wdk s GLN 382 CO 0.00 -0.36 0.14 0.20 -2.12 0.00 0.00 175.29 173.15 1wdk s GLY 383 N -2.97 0.05 0.02 3.09 0.00 0.65 0.59 107.32 108.74 1wdk s GLY 383 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1wdk s GLY 383 CO -0.01 -0.28 -0.03 -1.50 0.00 0.00 0.00 173.10 171.28 1wdk s ILE 384 N -1.39 0.13 0.02 0.90 2.07 -0.98 -0.89 121.20 121.07 1wdk s ILE 384 Ca -0.15 -0.80 -0.16 0.00 -1.41 0.00 0.00 60.65 58.14 1wdk s ILE 384 Cb -0.08 -0.26 0.03 0.00 0.13 0.00 0.00 42.46 42.28 1wdk s ILE 384 CO 0.02 -0.42 0.34 0.00 -1.91 0.00 0.00 174.94 172.97 1wdk s ALA 385 N -1.25 -0.82 0.00 1.50 0.00 0.49 -1.95 121.76 119.73 1wdk s ALA 385 Ca -0.13 0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.03 1wdk s ALA 385 Cb -0.09 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 1wdk s ALA 385 CO -0.01 -0.37 0.00 0.99 0.00 0.00 0.00 175.76 176.37 1wdk s THR 386 N -2.12 0.02 -0.17 0.00 2.01 -0.21 -1.63 115.64 113.53 1wdk s THR 386 Ca -0.08 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 61.77 1wdk s THR 386 Cb -0.02 -0.06 -0.01 0.00 0.01 0.00 0.00 72.50 72.42 1wdk s THR 386 CO -0.00 -0.08 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.06 1wdk s VAL 387 N -0.22 3.14 0.11 3.82 1.01 -0.30 -1.85 120.40 126.11 1wdk s VAL 387 Ca -0.02 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1wdk s VAL 387 Cb -0.02 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1wdk s VAL 387 CO -0.00 0.49 -0.11 -0.36 0.00 0.00 0.00 175.10 175.11 1wdk s PHE 388 N 0.85 2.70 -0.04 5.22 0.40 0.15 -0.68 117.98 126.59 1wdk s PHE 388 Ca -0.03 -0.18 0.03 0.00 -0.60 0.00 0.00 56.93 56.15 1wdk s PHE 388 Cb -0.15 -1.40 0.01 0.00 0.51 0.00 0.00 43.02 41.98 1wdk s PHE 388 CO 0.01 0.43 -0.11 -2.00 0.70 0.00 0.00 175.22 174.25 1wdk s GLU 389 N -2.27 1.21 -0.41 0.44 2.12 0.24 -0.22 118.70 119.82 1wdk s GLU 389 Ca 0.21 -0.36 -0.17 0.00 0.36 0.00 0.00 54.97 55.02 1wdk s GLU 389 Cb -0.11 -1.09 0.01 0.00 0.26 0.00 0.00 34.13 33.21 1wdk s GLU 389 CO 0.13 0.11 0.43 1.03 -0.54 0.00 0.00 175.26 176.42 1wdk s ARG 390 N 0.30 3.19 0.00 4.30 1.81 0.11 -1.00 118.95 127.67 1wdk s ARG 390 Ca -0.06 -0.68 0.00 0.00 -1.72 0.00 0.00 55.73 53.27 1wdk s ARG 390 Cb -0.11 -3.93 0.00 0.00 -0.45 0.00 0.00 34.95 30.46 1wdk s ARG 390 CO 0.01 -0.79 0.00 1.55 -0.68 0.00 0.00 175.30 175.39