#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdk h ILE 2 N 0.00 0.58 -2.33 3.17 2.04 -1.80 -3.41 117.51 115.76 1wdk h ILE 2 Ca 0.00 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 1wdk h ILE 2 Cb 0.00 -0.03 -0.23 0.00 -0.74 0.00 0.00 36.82 35.82 1wdk h ILE 2 CO 0.00 0.10 -0.08 -0.47 0.00 0.00 0.00 178.15 177.70 1wdk s TYR 3 N -5.69 -0.74 -0.20 1.37 5.04 -1.06 -4.95 117.35 111.11 1wdk s TYR 3 Ca -0.10 1.64 -0.04 0.00 -2.44 0.00 0.00 57.07 56.13 1wdk s TYR 3 Cb 0.26 0.34 0.07 0.00 0.35 0.00 0.00 41.96 42.97 1wdk s TYR 3 CO 0.80 -0.37 0.07 -2.00 -1.34 0.00 0.00 175.55 172.71 1wdk s GLU 4 N 0.90 0.36 0.00 4.97 2.12 -1.26 -1.00 118.70 124.78 1wdk s GLU 4 Ca -0.05 -0.34 0.00 0.00 0.36 0.00 0.00 54.97 54.95 1wdk s GLU 4 Cb -0.05 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.46 1wdk s GLU 4 CO -0.08 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 174.33 1wdk n GLY 5 N 5.15 7.00 0.48 -1.50 0.00 -0.12 -5.03 105.19 111.17 1wdk n GLY 5 Ca -0.07 -2.02 0.08 0.00 0.00 0.00 0.00 46.02 44.01 1wdk n GLY 5 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wdk n LYS 6 N 0.00 1.56 0.00 1.61 5.02 -1.26 -4.57 118.16 120.52 1wdk n LYS 6 Ca 0.00 -1.07 0.00 0.00 -2.02 0.00 0.00 58.31 55.22 1wdk n LYS 6 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1wdk n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wdk n ALA 7 N 0.28 1.57 -2.72 7.82 0.00 -1.26 -1.75 120.51 124.45 1wdk n ALA 7 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.34 1wdk n ALA 7 Cb 0.37 0.14 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 1wdk n ALA 7 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1wdk s ILE 8 N -1.48 0.94 0.02 0.00 1.01 -1.26 -0.59 121.20 119.84 1wdk s ILE 8 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 60.65 59.59 1wdk s ILE 8 Cb 0.00 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 1wdk s ILE 8 CO 0.00 -0.15 -0.05 0.42 0.00 0.00 0.00 174.94 175.16 1wdk s THR 9 N -1.06 0.30 -0.25 2.92 -4.23 -0.77 -0.95 115.64 111.59 1wdk s THR 9 Ca -0.02 -0.71 0.01 0.00 -1.18 0.00 0.00 61.69 59.79 1wdk s THR 9 Cb -0.09 -0.37 0.07 0.00 1.34 0.00 0.00 72.50 73.46 1wdk s THR 9 CO 0.01 -0.27 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.11 1wdk s VAL 10 N -0.97 1.53 -0.10 2.29 1.01 -0.17 -0.47 120.40 123.52 1wdk s VAL 10 Ca -0.08 -1.36 -0.00 0.00 0.00 0.00 0.00 61.98 60.53 1wdk s VAL 10 Cb -0.07 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1wdk s VAL 10 CO -0.00 -0.22 -0.07 -0.89 0.00 0.00 0.00 175.10 173.92 1wdk s THR 11 N 1.37 3.66 0.28 3.92 2.01 -0.28 -2.06 115.64 124.53 1wdk s THR 11 Ca -0.02 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.22 1wdk s THR 11 Cb -0.19 -2.53 -0.09 0.00 0.01 0.00 0.00 72.50 69.70 1wdk s THR 11 CO -0.08 0.56 1.00 0.00 -0.69 0.00 0.00 174.62 175.41 1wdk s ALA 12 N -0.34 3.33 0.00 7.40 0.00 -1.26 -0.68 121.76 130.21 1wdk s ALA 12 Ca 0.05 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1wdk s ALA 12 Cb -0.12 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1wdk s ALA 12 CO 0.02 0.05 0.00 1.28 0.00 0.00 0.00 175.76 177.11 1wdk n LEU 13 N 1.16 0.00 -4.80 0.00 4.77 0.40 -4.91 117.00 113.62 1wdk n LEU 13 Ca -0.01 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 1wdk n LEU 13 Cb 0.47 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.65 1wdk n LEU 13 CO 0.50 0.00 0.71 -1.83 -1.33 0.00 0.00 177.39 175.44 1wdk s GLU 14 N 1.27 2.12 -0.96 3.23 -1.05 -1.26 -4.10 118.70 117.95 1wdk s GLU 14 Ca 0.00 0.69 -0.09 0.00 -0.15 0.00 0.00 54.97 55.42 1wdk s GLU 14 Cb 0.00 -1.92 0.09 0.00 -0.44 0.00 0.00 34.13 31.86 1wdk s GLU 14 CO 0.00 -1.61 0.30 0.43 0.95 0.00 0.00 175.26 175.33 1wdk n SER 15 N -3.43 -2.22 0.00 0.83 7.64 -1.26 -0.08 113.62 115.10 1wdk n SER 15 Ca 0.07 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1wdk n SER 15 Cb 0.56 -1.93 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 1wdk n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wdk n GLY 16 N -0.87 1.41 3.77 0.23 0.00 -1.26 -4.68 105.19 103.79 1wdk n GLY 16 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1wdk n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wdk s ILE 17 N -3.49 3.18 0.05 -0.61 1.01 0.89 -1.16 121.20 121.08 1wdk s ILE 17 Ca 0.00 1.03 0.06 0.00 0.00 0.00 0.00 60.65 61.74 1wdk s ILE 17 Cb 0.00 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1wdk s ILE 17 CO 0.00 0.12 -0.16 0.54 0.00 0.00 0.00 174.94 175.44 1wdk s VAL 18 N -1.38 1.32 -0.22 2.92 0.11 0.18 -0.45 120.40 122.88 1wdk s VAL 18 Ca 0.55 -1.16 -0.01 0.00 -2.93 0.00 0.00 61.98 58.42 1wdk s VAL 18 Cb -0.31 -1.19 0.02 0.00 -1.53 0.00 0.00 36.38 33.36 1wdk s VAL 18 CO 0.39 0.01 -0.10 -0.70 -3.33 0.00 0.00 175.10 171.37 1wdk s GLU 19 N -1.34 3.02 -0.48 1.54 2.12 0.15 -0.77 118.70 122.94 1wdk s GLU 19 Ca 0.03 -0.84 -0.16 0.00 0.36 0.00 0.00 54.97 54.36 1wdk s GLU 19 Cb -0.09 -2.86 0.07 0.00 0.26 0.00 0.00 34.13 31.51 1wdk s GLU 19 CO 0.02 -0.29 0.43 -1.17 -0.54 0.00 0.00 175.26 173.72 1wdk s LEU 20 N 1.35 5.53 -0.13 2.70 0.20 0.51 -1.13 118.68 127.72 1wdk s LEU 20 Ca 0.03 -1.27 -0.05 0.00 0.69 0.00 0.00 54.13 53.53 1wdk s LEU 20 Cb -0.15 -2.23 -0.04 0.00 -0.43 0.00 0.00 46.19 43.35 1wdk s LEU 20 CO -0.07 -0.69 0.05 -0.75 -0.29 0.00 0.00 176.35 174.61 1wdk s LYS 21 N 1.80 3.45 -0.25 1.98 2.20 0.38 -1.70 119.74 127.60 1wdk s LYS 21 Ca 0.06 -0.32 -0.16 0.00 -0.36 0.00 0.00 55.97 55.19 1wdk s LYS 21 Cb -0.24 -3.04 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1wdk s LYS 21 CO 0.07 0.56 0.42 -0.06 -0.36 0.00 0.00 175.35 175.99 1wdk s PHE 22 N -0.46 3.29 -0.48 4.03 0.08 0.35 -1.85 117.98 122.93 1wdk s PHE 22 Ca 0.10 0.53 0.07 0.00 0.12 0.00 0.00 56.93 57.75 1wdk s PHE 22 Cb -0.12 -2.60 0.18 0.00 -0.57 0.00 0.00 43.02 39.91 1wdk s PHE 22 CO 0.02 -0.19 0.66 0.34 -0.10 0.00 0.00 175.22 175.95 1wdk s ASP 23 N 1.45 -1.13 -0.75 1.36 3.68 0.24 0.66 116.67 122.18 1wdk s ASP 23 Ca 0.18 -1.62 -0.26 0.00 2.13 0.00 0.00 52.55 52.98 1wdk s ASP 23 Cb -0.15 1.67 -0.08 0.00 -1.45 0.00 0.00 42.92 42.91 1wdk s ASP 23 CO 0.09 -0.10 2.20 -0.22 0.13 0.00 0.00 175.17 177.27 1wdk s LEU 24 N 1.05 3.10 0.20 -1.34 2.96 -1.24 -4.34 118.68 119.08 1wdk s LEU 24 Ca 0.26 0.04 -0.32 0.00 -0.22 0.00 0.00 54.13 53.89 1wdk s LEU 24 Cb -0.01 -2.54 -0.14 0.00 0.50 0.00 0.00 46.19 43.99 1wdk s LEU 24 CO -0.06 -3.18 1.36 0.29 -1.32 0.00 0.00 176.35 173.44 1wdk n LYS 25 N 8.91 1.74 0.00 1.98 4.76 -0.72 -1.62 118.16 133.22 1wdk n LYS 25 Ca 0.40 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 56.46 1wdk n LYS 25 Cb 0.47 -2.25 0.00 0.00 -1.84 0.00 0.00 35.03 31.42 1wdk n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wdk n GLY 26 N 2.31 2.32 3.63 0.72 0.00 -1.26 -4.99 105.19 107.93 1wdk n GLY 26 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1wdk n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wdk s GLU 27 N -0.45 2.23 0.37 1.61 0.41 -0.64 -5.04 118.70 117.18 1wdk s GLU 27 Ca 0.00 -1.48 0.23 0.00 -0.41 0.00 0.00 54.97 53.31 1wdk s GLU 27 Cb 0.00 -2.11 0.31 0.00 -1.78 0.00 0.00 34.13 30.56 1wdk s GLU 27 CO 0.00 0.33 1.51 0.66 -0.49 0.00 0.00 175.26 177.26 1wdk h SER 28 N 1.89 0.00 -5.62 -0.19 4.64 -1.96 -3.46 113.55 108.85 1wdk h SER 28 Ca -0.44 -0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 60.61 1wdk h SER 28 Cb 1.25 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.19 1wdk h SER 28 CO 0.61 0.00 -0.61 0.68 -0.87 0.00 0.00 176.83 176.65 1wdk s VAL 29 N -3.23 0.00 0.02 0.95 -7.23 -1.26 -4.68 120.40 104.98 1wdk s VAL 29 Ca 0.06 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1wdk s VAL 29 Cb 0.07 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1wdk s VAL 29 CO 0.69 0.00 0.20 0.20 -0.31 0.00 0.00 175.10 175.88 1wdk s ASN 30 N -3.18 6.38 -0.13 4.85 0.01 -1.26 -4.54 114.94 117.07 1wdk s ASN 30 Ca 0.39 0.34 -0.30 0.00 -0.71 0.00 0.00 52.86 52.58 1wdk s ASN 30 Cb 0.06 -1.99 0.11 0.00 0.41 0.00 0.00 41.25 39.84 1wdk s ASN 30 CO 0.14 0.22 0.89 -1.59 -1.51 0.00 0.00 177.10 175.24 1wdk s LYS 31 N -2.18 0.75 -1.38 -0.60 -2.85 -1.26 -1.71 119.74 110.51 1wdk s LYS 31 Ca 0.31 0.22 -0.13 0.00 -1.00 0.00 0.00 55.97 55.36 1wdk s LYS 31 Cb -0.13 0.36 0.08 0.00 -2.06 0.00 0.00 37.83 36.08 1wdk s LYS 31 CO 0.22 -0.23 2.03 1.19 0.10 0.00 0.00 175.35 178.67 1wdk n PHE 32 N 0.88 3.62 -1.86 1.78 3.01 -1.25 -4.67 117.46 118.97 1wdk n PHE 32 Ca -0.13 -2.93 -0.09 0.00 1.01 0.00 0.00 57.45 55.30 1wdk n PHE 32 Cb 0.57 -2.39 0.06 0.00 -0.01 0.00 0.00 39.48 37.71 1wdk n PHE 32 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1wdk n ASN 33 N 5.80 0.26 -0.07 4.37 0.23 -1.26 -4.67 115.26 119.93 1wdk n ASN 33 Ca 0.48 -1.29 -0.09 0.00 -0.53 0.00 0.00 54.58 53.15 1wdk n ASN 33 Cb 0.39 -0.30 -0.02 0.00 -2.08 0.00 0.00 39.78 37.78 1wdk n ASN 33 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1wdk h ARG 34 N 0.00 0.28 -0.17 -3.83 9.65 -2.00 -2.55 114.38 115.77 1wdk h ARG 34 Ca -0.14 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.76 1wdk h ARG 34 Cb 0.43 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.91 1wdk h ARG 34 CO 0.12 0.19 -0.05 1.25 2.80 0.00 0.00 179.97 184.27 1wdk h LEU 35 N 0.29 -0.18 -0.41 3.80 5.85 -1.95 -1.72 115.31 120.99 1wdk h LEU 35 Ca 0.10 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1wdk h LEU 35 Cb 0.01 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1wdk h LEU 35 CO -0.06 -0.07 0.13 0.74 -0.34 0.00 0.00 178.44 178.84 1wdk h THR 36 N -0.02 1.22 -0.30 1.05 2.02 -1.82 -1.00 112.91 114.07 1wdk h THR 36 Ca 0.08 -0.71 0.04 0.00 0.77 0.00 0.00 66.41 66.59 1wdk h THR 36 Cb 0.14 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1wdk h THR 36 CO -0.18 0.25 0.07 -0.07 0.37 0.00 0.00 175.52 175.97 1wdk h LEU 37 N 0.52 0.04 -0.80 2.58 3.38 -1.30 0.23 115.31 119.96 1wdk h LEU 37 Ca 0.13 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1wdk h LEU 37 Cb 0.26 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1wdk h LEU 37 CO -0.00 0.06 0.51 0.78 0.09 0.00 0.00 178.44 179.88 1wdk h ASN 38 N 0.19 0.84 0.32 -0.43 -0.26 -1.12 -1.32 115.58 113.80 1wdk h ASN 38 Ca 0.14 -0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.76 1wdk h ASN 38 Cb 0.14 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.20 1wdk h ASN 38 CO -0.17 0.58 -0.49 -0.33 -1.06 0.00 0.00 177.43 175.95 1wdk h GLU 39 N 0.99 0.20 -0.58 0.81 5.08 -0.47 -2.51 114.58 118.11 1wdk h GLU 39 Ca 0.32 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 1wdk h GLU 39 Cb 0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1wdk h GLU 39 CO -0.12 0.65 0.06 1.25 -1.00 0.00 0.00 179.01 179.86 1wdk h LEU 40 N 0.16 0.91 -0.20 1.33 6.46 0.23 0.32 115.31 124.52 1wdk h LEU 40 Ca 0.01 -0.21 0.03 0.00 -0.12 0.00 0.00 57.88 57.59 1wdk h LEU 40 Cb 0.93 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.59 1wdk h LEU 40 CO 0.07 0.93 -0.00 -0.09 -0.62 0.00 0.00 178.44 178.73 1wdk h ARG 41 N 0.89 0.06 -0.46 1.25 9.65 -0.96 0.16 114.38 124.97 1wdk h ARG 41 Ca 0.18 -0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.97 1wdk h ARG 41 Cb 0.43 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1wdk h ARG 41 CO 0.01 0.04 -0.02 1.96 2.80 0.00 0.00 179.97 184.77 1wdk h GLN 42 N 0.06 0.83 -0.48 0.20 4.20 -1.02 -1.03 115.11 117.87 1wdk h GLN 42 Ca 0.09 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1wdk h GLN 42 Cb 0.12 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1wdk h GLN 42 CO -0.16 0.89 0.22 0.00 -0.67 0.00 0.00 178.83 179.11 1wdk h ALA 43 N 0.91 0.62 -0.29 3.87 0.00 -0.03 0.50 119.26 124.84 1wdk h ALA 43 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wdk h ALA 43 Cb 0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1wdk h ALA 43 CO 0.03 0.20 0.14 0.28 0.00 0.00 0.00 179.25 179.90 1wdk h VAL 44 N 0.64 1.15 -0.54 0.00 2.07 -0.57 -1.26 116.25 117.73 1wdk h VAL 44 Ca 0.16 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1wdk h VAL 44 Cb 0.14 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1wdk h VAL 44 CO -0.02 0.15 0.22 0.44 0.02 0.00 0.00 177.57 178.39 1wdk h ASP 45 N 0.34 0.71 -0.26 0.57 3.32 -0.97 0.22 116.42 120.34 1wdk h ASP 45 Ca 0.10 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1wdk h ASP 45 Cb 0.11 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1wdk h ASP 45 CO -0.01 0.63 0.04 0.00 -1.72 0.00 0.00 179.24 178.18 1wdk h ALA 46 N 1.48 0.35 -0.55 3.45 0.00 -0.52 -1.19 119.26 122.27 1wdk h ALA 46 Ca 0.19 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1wdk h ALA 46 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1wdk h ALA 46 CO -0.02 0.03 -0.03 0.82 0.00 0.00 0.00 179.25 180.05 1wdk h ILE 47 N 0.25 1.27 0.00 0.00 2.04 -0.88 -1.48 117.51 118.70 1wdk h ILE 47 Ca 0.08 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1wdk h ILE 47 Cb 0.33 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1wdk h ILE 47 CO 0.01 0.42 -0.06 0.50 0.00 0.00 0.00 178.15 179.01 1wdk h LYS 48 N 0.88 0.00 0.00 2.37 3.64 -0.42 -2.55 116.57 120.50 1wdk h LYS 48 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1wdk h LYS 48 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1wdk h LYS 48 CO 0.04 0.06 -1.49 0.00 -2.27 0.00 0.00 179.45 175.79 1wdk n ALA 49 N -2.29 2.73 -2.81 5.00 0.00 -0.46 -4.76 120.51 117.91 1wdk n ALA 49 Ca -0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 1wdk n ALA 49 Cb 0.16 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1wdk n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wdk s ASP 50 N -4.85 6.32 0.00 0.00 3.68 -0.61 -4.89 116.67 116.33 1wdk s ASP 50 Ca -0.04 -1.26 0.07 0.00 2.13 0.00 0.00 52.55 53.46 1wdk s ASP 50 Cb 0.12 -2.44 0.35 0.00 -1.45 0.00 0.00 42.92 39.49 1wdk s ASP 50 CO 0.85 -1.39 1.14 0.00 0.13 0.00 0.00 175.17 175.90 1wdk n ALA 51 N 7.70 1.45 0.75 3.66 0.00 -1.26 -2.20 120.51 130.61 1wdk n ALA 51 Ca 0.08 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1wdk n ALA 51 Cb 0.47 -1.12 0.26 0.00 0.00 0.00 0.00 19.45 19.07 1wdk n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wdk n SER 52 N -1.36 0.57 -4.73 0.00 3.41 -1.26 -4.89 113.62 105.36 1wdk n SER 52 Ca 0.03 0.09 -0.42 0.00 -0.26 0.00 0.00 58.87 58.31 1wdk n SER 52 Cb 0.07 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1wdk n SER 52 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wdk s VAL 53 N -3.09 2.81 -0.35 -3.33 1.01 -0.94 -4.69 120.40 111.82 1wdk s VAL 53 Ca 0.09 0.61 0.08 0.00 0.00 0.00 0.00 61.98 62.76 1wdk s VAL 53 Cb 0.15 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 33.05 1wdk s VAL 53 CO 0.68 0.07 0.32 0.29 0.00 0.00 0.00 175.10 176.46 1wdk n LYS 54 N 3.40 4.39 0.00 2.72 4.76 -0.31 -4.99 118.16 128.14 1wdk n LYS 54 Ca 0.11 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1wdk n LYS 54 Cb 0.40 -0.87 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 1wdk n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wdk n GLY 55 N 1.20 0.67 3.04 0.72 0.00 -1.25 -4.18 105.19 105.39 1wdk n GLY 55 Ca 0.01 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 1wdk n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wdk s VAL 56 N -2.00 0.96 -0.16 1.61 1.01 -0.10 -0.65 120.40 121.07 1wdk s VAL 56 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1wdk s VAL 56 Cb 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1wdk s VAL 56 CO 0.00 0.29 -0.13 -0.63 0.00 0.00 0.00 175.10 174.64 1wdk s ILE 57 N 0.16 2.90 -0.30 2.22 1.01 0.05 -0.86 121.20 126.38 1wdk s ILE 57 Ca -0.03 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 1wdk s ILE 57 Cb -0.09 -2.24 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 1wdk s ILE 57 CO 0.01 0.50 0.13 -0.69 0.00 0.00 0.00 174.94 174.90 1wdk s VAL 58 N 0.80 4.46 0.40 2.92 1.01 0.11 -0.36 120.40 129.73 1wdk s VAL 58 Ca -0.05 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1wdk s VAL 58 Cb -0.15 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 1wdk s VAL 58 CO 0.01 0.08 0.09 -1.54 0.00 0.00 0.00 175.10 173.74 1wdk n SER 59 N 4.96 1.84 -4.16 3.32 3.41 -0.69 -0.31 113.62 121.99 1wdk n SER 59 Ca -0.14 -2.99 -0.20 0.00 -0.26 0.00 0.00 58.87 55.28 1wdk n SER 59 Cb 0.49 0.75 -0.13 0.00 -0.26 0.00 0.00 64.21 65.06 1wdk n SER 59 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wdk s SER 60 N -3.36 1.72 0.00 4.04 0.15 -1.26 -0.50 113.70 114.50 1wdk s SER 60 Ca 0.13 -0.50 0.22 0.00 0.70 0.00 0.00 55.95 56.49 1wdk s SER 60 Cb 0.01 -0.10 0.16 0.00 -1.71 0.00 0.00 66.02 64.38 1wdk s SER 60 CO 0.09 0.01 1.17 0.61 1.20 0.00 0.00 173.24 176.33 1wdk n GLY 61 N 1.72 0.70 1.67 9.45 0.00 0.21 -4.85 105.19 114.09 1wdk n GLY 61 Ca -0.19 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 1wdk n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wdk n LYS 62 N 1.12 0.87 0.14 1.61 4.76 -1.26 -5.01 118.16 120.39 1wdk n LYS 62 Ca 0.12 -1.36 0.01 0.00 -2.87 0.00 0.00 58.31 54.22 1wdk n LYS 62 Cb 0.53 -0.07 0.08 0.00 -1.84 0.00 0.00 35.03 33.74 1wdk n LYS 62 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1wdk h ASP 63 N 0.07 0.00 -1.60 4.39 3.32 -1.93 -3.45 116.42 117.22 1wdk h ASP 63 Ca -0.12 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.48 1wdk h ASP 63 Cb 0.54 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1wdk h ASP 63 CO 0.17 0.57 -0.33 0.68 -1.72 0.00 0.00 179.24 178.61 1wdk s VAL 64 N -3.10 3.25 0.00 -1.35 -7.23 -1.26 -4.11 120.40 106.60 1wdk s VAL 64 Ca 0.02 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1wdk s VAL 64 Cb 0.09 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.91 1wdk s VAL 64 CO 0.74 -0.06 0.00 0.33 -0.31 0.00 0.00 175.10 175.80 1wdk n PHE 65 N -1.67 0.00 -3.68 2.82 7.35 0.98 -4.61 117.46 118.66 1wdk n PHE 65 Ca 0.04 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.64 1wdk n PHE 65 Cb 0.59 -0.13 -0.10 0.00 0.35 0.00 0.00 39.48 40.20 1wdk n PHE 65 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1wdk s ILE 66 N -0.36 -0.16 0.46 -2.13 1.01 -0.84 -4.49 121.20 114.69 1wdk s ILE 66 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.77 1wdk s ILE 66 Cb 0.00 -0.70 0.03 0.00 0.01 0.00 0.00 42.46 41.80 1wdk s ILE 66 CO 0.00 0.04 0.23 1.33 0.00 0.00 0.00 174.94 176.54 1wdk n VAL 67 N 4.51 0.00 -1.23 2.92 0.24 -0.69 -1.80 118.33 122.28 1wdk n VAL 67 Ca -0.20 -1.95 -0.31 0.00 -2.04 0.00 0.00 64.34 59.85 1wdk n VAL 67 Cb 0.55 0.09 0.11 0.00 -1.47 0.00 0.00 33.84 33.11 1wdk n VAL 67 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wdk s GLY 68 N -3.71 1.65 0.95 7.63 0.00 -1.24 -3.91 107.32 108.69 1wdk s GLY 68 Ca 0.17 0.15 -0.12 0.00 0.00 0.00 0.00 44.72 44.92 1wdk s GLY 68 CO 0.11 0.55 1.12 0.00 0.00 0.00 0.00 173.10 174.88 1wdk s ALA 69 N -2.91 1.46 0.24 3.20 0.00 -1.26 -4.71 121.76 117.77 1wdk s ALA 69 Ca 0.62 -0.48 -0.31 0.00 0.00 0.00 0.00 51.96 51.79 1wdk s ALA 69 Cb -0.17 -3.06 -0.11 0.00 0.00 0.00 0.00 23.12 19.78 1wdk s ALA 69 CO 0.56 -2.50 1.59 -0.51 0.00 0.00 0.00 175.76 174.90 1wdk s ASP 70 N -3.83 6.47 0.53 0.00 1.01 -1.26 -4.84 116.67 114.76 1wdk s ASP 70 Ca 0.64 2.80 0.35 0.00 0.71 0.00 0.00 52.55 57.06 1wdk s ASP 70 Cb -0.16 -2.61 1.52 0.00 1.01 0.00 0.00 42.92 42.68 1wdk s ASP 70 CO 0.55 -0.87 1.81 -0.29 0.21 0.00 0.00 175.17 176.58 1wdk h ILE 71 N 3.66 0.42 -0.48 0.77 6.09 -2.01 0.68 117.51 126.64 1wdk h ILE 71 Ca -0.45 -0.01 0.08 0.00 -1.37 0.00 0.00 64.86 63.12 1wdk h ILE 71 Cb 1.21 0.40 -0.07 0.00 0.47 0.00 0.00 36.82 38.83 1wdk h ILE 71 CO 0.86 0.00 0.08 0.74 -3.07 0.00 0.00 178.15 176.77 1wdk h THR 72 N 0.02 0.72 0.00 2.19 2.02 -2.01 -1.06 112.91 114.80 1wdk h THR 72 Ca 0.56 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 67.59 1wdk h THR 72 Cb 2.19 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 1wdk h THR 72 CO -0.02 0.04 -0.36 -0.33 0.37 0.00 0.00 175.52 175.21 1wdk h GLU 73 N 0.22 0.00 -0.24 6.66 5.08 -1.22 -2.55 114.58 122.52 1wdk h GLU 73 Ca 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1wdk h GLU 73 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1wdk h GLU 73 CO -0.32 0.36 0.11 0.74 -1.00 0.00 0.00 179.01 178.91 1wdk h PHE 74 N 0.00 0.35 -0.38 4.33 -1.00 -1.17 -0.12 116.94 118.95 1wdk h PHE 74 Ca -0.00 -0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.80 1wdk h PHE 74 Cb 0.74 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 40.15 1wdk h PHE 74 CO 0.00 0.34 0.15 0.28 -1.61 0.00 0.00 178.31 177.48 1wdk h VAL 75 N 0.26 0.93 0.84 -0.55 2.07 -1.02 -1.64 116.25 117.12 1wdk h VAL 75 Ca 0.08 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1wdk h VAL 75 Cb 0.12 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1wdk h VAL 75 CO -0.01 0.06 -0.40 -0.33 0.02 0.00 0.00 177.57 176.91 1wdk h GLU 76 N 0.33 -1.08 -0.93 1.57 5.08 -1.29 -3.12 114.58 115.14 1wdk h GLU 76 Ca 0.17 0.07 0.27 0.00 -1.00 0.00 0.00 59.36 58.87 1wdk h GLU 76 Cb 0.12 0.25 -0.15 0.00 0.50 0.00 0.00 28.75 29.46 1wdk h GLU 76 CO -0.15 -0.72 0.29 -0.91 -1.00 0.00 0.00 179.01 176.52 1wdk h ASN 77 N -1.22 0.05 0.00 1.42 4.21 -0.94 0.25 115.58 119.34 1wdk h ASN 77 Ca -0.11 0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.61 1wdk h ASN 77 Cb 0.86 0.28 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 1wdk h ASN 77 CO 0.19 -0.21 0.00 0.49 -1.29 0.00 0.00 177.43 176.61 1wdk n PHE 78 N -5.24 0.00 0.01 1.19 3.72 -0.62 -2.48 117.46 114.03 1wdk n PHE 78 Ca 0.25 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.69 1wdk n PHE 78 Cb 0.80 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.23 1wdk n PHE 78 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1wdk n LYS 79 N -0.88 0.64 -1.21 -1.08 5.02 0.86 -4.77 118.16 116.75 1wdk n LYS 79 Ca 0.15 0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 56.13 1wdk n LYS 79 Cb 0.07 -1.67 0.12 0.00 -0.02 0.00 0.00 35.03 33.53 1wdk n LYS 79 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wdk s LEU 80 N -5.25 3.19 0.40 -0.35 1.43 -1.04 -4.95 118.68 112.12 1wdk s LEU 80 Ca -0.05 2.36 -0.25 0.00 -1.03 0.00 0.00 54.13 55.15 1wdk s LEU 80 Cb 0.10 -4.59 -0.08 0.00 0.03 0.00 0.00 46.19 41.65 1wdk s LEU 80 CO 0.84 -2.54 1.22 -2.84 0.23 0.00 0.00 176.35 173.25 1wdk s PRO 81 N -4.08 4.00 0.30 1.29 0.02 -1.26 -4.72 135.00 130.55 1wdk s PRO 81 Ca 0.73 1.95 0.07 0.00 0.02 0.00 0.00 61.00 63.77 1wdk s PRO 81 Cb -0.29 -2.69 0.85 0.00 0.02 0.00 0.00 34.50 32.38 1wdk s PRO 81 CO 0.49 -0.39 1.43 -0.25 -0.33 0.00 0.00 177.00 177.95 1wdk n ASP 82 N 0.07 0.01 -0.22 2.53 9.92 -1.26 -0.25 116.55 127.35 1wdk n ASP 82 Ca 0.04 1.54 -0.05 0.00 -0.53 0.00 0.00 54.79 55.79 1wdk n ASP 82 Cb 0.45 -0.61 0.05 0.00 -0.64 0.00 0.00 41.12 40.37 1wdk n ASP 82 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wdk h ALA 83 N 1.82 0.81 -0.10 2.24 0.00 -1.99 -0.46 119.26 121.58 1wdk h ALA 83 Ca 0.61 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.45 1wdk h ALA 83 Cb 1.39 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1wdk h ALA 83 CO -0.81 0.20 -0.08 0.93 0.00 0.00 0.00 179.25 179.49 1wdk h GLU 84 N 0.82 0.23 -0.09 0.00 5.08 -0.98 -1.42 114.58 118.23 1wdk h GLU 84 Ca 0.24 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1wdk h GLU 84 Cb -0.05 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1wdk h GLU 84 CO -0.07 0.63 -0.13 1.25 -1.00 0.00 0.00 179.01 179.68 1wdk h LEU 85 N -0.16 -0.40 -1.10 1.33 5.85 -1.21 0.18 115.31 119.80 1wdk h LEU 85 Ca 0.02 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1wdk h LEU 85 Cb 0.57 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1wdk h LEU 85 CO 0.02 -0.18 0.33 0.40 -0.34 0.00 0.00 178.44 178.68 1wdk h ILE 86 N -0.17 1.22 -0.31 4.05 2.04 -1.11 -1.15 117.51 122.07 1wdk h ILE 86 Ca 0.08 -0.61 -0.11 0.00 1.00 0.00 0.00 64.86 65.22 1wdk h ILE 86 Cb 0.28 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1wdk h ILE 86 CO -0.20 0.26 -0.28 0.00 0.00 0.00 0.00 178.15 177.93 1wdk h ALA 87 N 1.40 0.93 -0.18 1.87 0.00 -0.54 0.51 119.26 123.25 1wdk h ALA 87 Ca 0.24 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1wdk h ALA 87 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1wdk h ALA 87 CO -0.03 0.61 -0.39 0.78 0.00 0.00 0.00 179.25 180.22 1wdk h GLY 88 N 1.00 0.43 1.73 0.00 0.00 -0.06 -2.19 103.07 103.98 1wdk h GLY 88 Ca 0.07 -0.41 -0.22 0.00 0.00 0.00 0.00 47.33 46.76 1wdk h GLY 88 CO 0.06 0.38 -0.99 3.43 0.00 0.00 0.00 176.54 179.41 1wdk h ASN 89 N 0.33 0.32 -0.67 0.19 2.35 -0.92 -2.36 115.58 114.82 1wdk h ASN 89 Ca 0.03 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.51 1wdk h ASN 89 Cb 0.84 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.07 1wdk h ASN 89 CO 0.07 1.13 0.44 0.25 -1.65 0.00 0.00 177.43 177.67 1wdk h LEU 90 N 0.11 0.75 -0.49 1.61 5.85 -0.71 -0.28 115.31 122.15 1wdk h LEU 90 Ca -0.07 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1wdk h LEU 90 Cb 1.66 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 1wdk h LEU 90 CO 0.16 0.54 0.23 -0.08 -0.34 0.00 0.00 178.44 178.94 1wdk h GLU 91 N 0.89 0.71 -0.04 1.25 4.81 -1.32 -1.59 114.58 119.30 1wdk h GLU 91 Ca 0.25 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1wdk h GLU 91 Cb -0.08 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 1wdk h GLU 91 CO -0.06 0.61 0.02 0.00 -0.73 0.00 0.00 179.01 178.84 1wdk h ALA 92 N 1.07 0.05 -0.09 2.92 0.00 -1.00 -2.69 119.26 119.51 1wdk h ALA 92 Ca 0.17 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1wdk h ALA 92 Cb 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wdk h ALA 92 CO -0.02 -0.38 0.07 -0.91 0.00 0.00 0.00 179.25 178.02 1wdk h ASN 93 N -0.09 0.00 -0.34 0.00 2.35 -0.94 -0.59 115.58 115.96 1wdk h ASN 93 Ca 0.01 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1wdk h ASN 93 Cb 0.15 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1wdk h ASN 93 CO -0.00 0.00 -0.02 0.50 -1.65 0.00 0.00 177.43 176.26 1wdk h LYS 94 N 0.00 0.72 0.34 0.81 3.64 -0.95 0.56 116.57 121.69 1wdk h LYS 94 Ca 0.04 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1wdk h LYS 94 Cb 0.19 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1wdk h LYS 94 CO -0.00 0.74 -0.17 0.82 -2.27 0.00 0.00 179.45 178.58 1wdk h ILE 95 N 0.67 0.67 -0.84 2.00 2.04 -0.99 0.49 117.51 121.55 1wdk h ILE 95 Ca 0.13 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.68 1wdk h ILE 95 Cb 0.44 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1wdk h ILE 95 CO 0.02 0.07 0.53 -0.26 0.00 0.00 0.00 178.15 178.51 1wdk h PHE 96 N -0.66 1.00 -0.72 1.37 -1.00 -1.31 -0.72 116.94 114.90 1wdk h PHE 96 Ca -0.05 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.70 1wdk h PHE 96 Cb 0.47 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 39.67 1wdk h PHE 96 CO -0.01 0.56 0.23 0.77 -1.61 0.00 0.00 178.31 178.26 1wdk h SER 97 N 1.03 1.04 -0.25 2.17 0.02 -0.76 0.28 113.55 117.08 1wdk h SER 97 Ca 0.34 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1wdk h SER 97 Cb 0.04 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1wdk h SER 97 CO -0.12 0.97 0.00 0.44 -1.14 0.00 0.00 176.83 176.98 1wdk h ASP 98 N 1.06 0.52 0.12 3.07 3.32 -0.16 0.34 116.42 124.69 1wdk h ASP 98 Ca 0.23 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 57.03 1wdk h ASP 98 Cb 0.29 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1wdk h ASP 98 CO -0.01 0.59 -0.54 0.15 -1.72 0.00 0.00 179.24 177.71 1wdk h PHE 99 N 0.53 0.57 -0.00 4.55 3.04 -0.55 -2.66 116.94 122.42 1wdk h PHE 99 Ca 0.11 -0.20 -0.12 0.00 3.98 0.00 0.00 57.97 61.75 1wdk h PHE 99 Cb 0.34 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 1wdk h PHE 99 CO 0.01 0.90 -0.54 1.49 -2.02 0.00 0.00 178.31 178.14 1wdk h GLU 100 N 0.35 0.01 -0.05 1.11 4.81 0.04 -3.04 114.58 117.82 1wdk h GLU 100 Ca 0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wdk h GLU 100 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1wdk h GLU 100 CO 0.10 0.55 0.00 -0.25 -0.73 0.00 0.00 179.01 178.68 1wdk n ASP 101 N -3.89 1.15 -4.62 1.04 8.00 0.11 -4.92 116.55 113.43 1wdk n ASP 101 Ca -0.01 -1.45 -0.48 0.00 0.71 0.00 0.00 54.79 53.55 1wdk n ASP 101 Cb 0.55 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.59 1wdk n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wdk n LEU 102 N -0.08 2.19 -1.82 0.64 4.32 -1.03 -4.78 117.00 116.45 1wdk n LEU 102 Ca 0.19 1.12 -0.09 0.00 -0.02 0.00 0.00 56.01 57.21 1wdk n LEU 102 Cb 0.28 -1.29 -0.05 0.00 -1.62 0.00 0.00 43.42 40.74 1wdk n LEU 102 CO 0.16 -0.86 1.28 -3.20 -1.22 0.00 0.00 177.39 173.54 1wdk n ASN 103 N 2.47 5.65 -3.74 -1.43 5.15 -1.26 -4.73 115.26 117.38 1wdk n ASN 103 Ca 0.16 -2.64 -0.13 0.00 -0.60 0.00 0.00 54.58 51.36 1wdk n ASN 103 Cb 0.25 -1.21 -0.08 0.00 -0.53 0.00 0.00 39.78 38.21 1wdk n ASN 103 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wdk s VAL 104 N -0.39 0.06 0.43 3.44 0.11 -1.26 -5.06 120.40 117.73 1wdk s VAL 104 Ca 0.31 -0.46 -0.25 0.00 -2.93 0.00 0.00 61.98 58.65 1wdk s VAL 104 Cb 0.18 -0.70 -0.08 0.00 -1.53 0.00 0.00 36.38 34.25 1wdk s VAL 104 CO -0.02 -0.25 1.30 -2.84 -3.33 0.00 0.00 175.10 169.95 1wdk s PRO 105 N -1.50 3.83 0.02 1.54 0.02 -1.26 -4.84 135.00 132.81 1wdk s PRO 105 Ca -0.12 2.12 0.04 0.00 0.02 0.00 0.00 61.00 63.06 1wdk s PRO 105 Cb -0.04 -2.65 -0.02 0.00 0.02 0.00 0.00 34.50 31.81 1wdk s PRO 105 CO 0.04 -0.59 -0.11 0.95 -0.33 0.00 0.00 177.00 176.95 1wdk s THR 106 N -1.30 0.85 -0.02 0.99 -4.23 -1.26 -0.93 115.64 109.75 1wdk s THR 106 Ca 0.60 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1wdk s THR 106 Cb -0.37 -0.77 0.01 0.00 1.34 0.00 0.00 72.50 72.71 1wdk s THR 106 CO 0.47 0.03 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.88 1wdk s VAL 107 N -0.66 0.20 -0.22 2.29 1.01 -0.04 -1.75 120.40 121.24 1wdk s VAL 107 Ca 0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 1wdk s VAL 107 Cb -0.06 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 1wdk s VAL 107 CO 0.00 0.11 0.12 0.00 0.00 0.00 0.00 175.10 175.33 1wdk s ALA 108 N 0.48 3.51 -0.70 5.51 0.00 -0.04 0.06 121.76 130.57 1wdk s ALA 108 Ca -0.05 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 1wdk s ALA 108 Cb -0.08 -2.19 0.18 0.00 0.00 0.00 0.00 23.12 21.04 1wdk s ALA 108 CO -0.01 -0.12 0.64 0.00 0.00 0.00 0.00 175.76 176.28 1wdk s ALA 109 N 0.92 3.89 -0.65 0.00 0.00 0.58 -0.86 121.76 125.62 1wdk s ALA 109 Ca 0.06 -3.01 -0.27 0.00 0.00 0.00 0.00 51.96 48.74 1wdk s ALA 109 Cb -0.13 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.65 1wdk s ALA 109 CO 0.03 -2.17 1.20 0.42 0.00 0.00 0.00 175.76 175.24 1wdk s ILE 110 N 0.71 3.93 -0.01 0.00 1.01 0.47 -4.47 121.20 122.83 1wdk s ILE 110 Ca 0.12 0.56 0.11 0.00 0.00 0.00 0.00 60.65 61.44 1wdk s ILE 110 Cb -0.18 -4.80 -0.23 0.00 0.01 0.00 0.00 42.46 37.26 1wdk s ILE 110 CO -0.04 -1.56 0.77 -0.55 0.00 0.00 0.00 174.94 173.56 1wdk h ASN 111 N 9.75 0.02 0.00 3.58 -1.07 -1.92 0.11 115.58 126.04 1wdk h ASN 111 Ca -0.27 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.07 1wdk h ASN 111 Cb 1.06 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 37.30 1wdk h ASN 111 CO 1.22 1.03 0.00 0.61 0.07 0.00 0.00 177.43 180.36 1wdk n GLY 112 N 1.53 4.12 3.61 9.14 0.00 -1.26 -4.55 105.19 117.78 1wdk n GLY 112 Ca -0.14 -1.02 -0.51 0.00 0.00 0.00 0.00 46.02 44.34 1wdk n GLY 112 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wdk n ILE 113 N 0.00 0.02 -3.63 -0.61 -0.00 -1.26 -3.78 119.36 110.10 1wdk n ILE 113 Ca 0.00 -0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.45 1wdk n ILE 113 Cb 0.00 -0.94 -0.14 0.00 -0.00 0.00 0.00 39.64 38.56 1wdk n ILE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1wdk s ALA 114 N 0.70 1.33 -0.00 -1.39 0.00 -0.59 -0.02 121.76 121.79 1wdk s ALA 114 Ca 0.84 -1.76 0.06 0.00 0.00 0.00 0.00 51.96 51.09 1wdk s ALA 114 Cb -0.92 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 1wdk s ALA 114 CO 0.46 -1.83 -0.17 -0.51 0.00 0.00 0.00 175.76 173.71 1wdk s LEU 115 N 1.36 2.61 0.00 0.00 1.43 -0.74 -2.45 118.68 120.88 1wdk s LEU 115 Ca 0.13 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1wdk s LEU 115 Cb -0.20 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1wdk s LEU 115 CO -0.17 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1wdk n GLY 116 N 1.97 3.62 0.44 -3.19 0.00 -0.32 -1.37 105.19 106.33 1wdk n GLY 116 Ca -0.16 0.19 0.25 0.00 0.00 0.00 0.00 46.02 46.30 1wdk n GLY 116 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wdk h GLY 117 N 0.00 0.84 0.96 -0.02 0.00 -1.90 0.17 103.07 103.11 1wdk h GLY 117 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1wdk h GLY 117 CO 0.00 -0.08 0.20 -1.33 0.00 0.00 0.00 176.54 175.32 1wdk h GLY 118 N 0.28 0.57 0.93 4.60 0.00 -1.33 -1.09 103.07 107.04 1wdk h GLY 118 Ca 0.56 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.54 1wdk h GLY 118 CO -0.20 0.26 -0.14 -2.00 0.00 0.00 0.00 176.54 174.46 1wdk h LEU 119 N 0.48 0.67 -1.27 3.11 6.46 -0.89 -2.94 115.31 120.94 1wdk h LEU 119 Ca 0.13 -0.40 0.15 0.00 -0.12 0.00 0.00 57.88 57.65 1wdk h LEU 119 Cb 0.08 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 39.75 1wdk h LEU 119 CO -0.02 0.92 0.58 -0.33 -0.62 0.00 0.00 178.44 178.98 1wdk h GLU 120 N 0.43 0.66 -0.54 1.25 5.08 -0.73 0.33 114.58 121.05 1wdk h GLU 120 Ca 0.07 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1wdk h GLU 120 Cb 0.66 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1wdk h GLU 120 CO 0.04 0.44 0.24 1.98 -1.00 0.00 0.00 179.01 180.71 1wdk h MET 121 N 0.68 0.80 -0.78 2.33 4.05 -1.04 -2.65 114.93 118.33 1wdk h MET 121 Ca 0.47 -0.13 -0.05 0.00 -0.28 0.00 0.00 59.70 59.70 1wdk h MET 121 Cb 0.79 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.42 1wdk h MET 121 CO -0.22 0.68 0.28 0.00 0.23 0.00 0.00 176.91 177.88 1wdk h LEU 123 N 1.14 0.00 -0.32 0.00 3.38 -0.62 -1.87 115.31 117.03 1wdk h LEU 123 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1wdk h LEU 123 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1wdk h LEU 123 CO -0.02 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.52 1wdk h ALA 124 N 1.99 1.00 -2.21 1.53 0.00 -1.01 -3.45 119.26 117.11 1wdk h ALA 124 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 1wdk h ALA 124 Cb 0.27 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.11 1wdk h ALA 124 CO 0.00 0.00 0.08 0.00 0.00 0.00 0.00 179.25 179.33 1wdk s ALA 125 N -3.24 3.46 0.09 0.00 0.00 -0.70 -3.96 121.76 117.41 1wdk s ALA 125 Ca 0.07 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 1wdk s ALA 125 Cb 0.10 -2.45 -0.15 0.00 0.00 0.00 0.00 23.12 20.62 1wdk s ALA 125 CO 0.56 -0.63 1.31 -0.44 0.00 0.00 0.00 175.76 176.57 1wdk h ASP 126 N 0.04 0.88 -3.92 0.00 3.32 -1.76 -3.46 116.42 111.51 1wdk h ASP 126 Ca -0.46 -0.61 -0.33 0.00 0.02 0.00 0.00 57.03 55.65 1wdk h ASP 126 Cb 1.25 -0.26 -0.15 0.00 0.22 0.00 0.00 39.33 40.40 1wdk h ASP 126 CO 0.60 1.34 -0.71 -0.36 -1.72 0.00 0.00 179.24 178.38 1wdk s PHE 127 N -3.84 1.29 -0.04 4.55 0.40 -0.72 -4.78 117.98 114.86 1wdk s PHE 127 Ca -0.11 -0.75 -0.02 0.00 -0.60 0.00 0.00 56.93 55.45 1wdk s PHE 127 Cb 0.08 -0.65 0.03 0.00 0.51 0.00 0.00 43.02 42.99 1wdk s PHE 127 CO 0.88 0.10 0.06 1.03 0.70 0.00 0.00 175.22 177.99 1wdk s ARG 128 N -3.74 -0.07 -0.12 0.44 0.52 -1.26 -0.86 118.95 113.85 1wdk s ARG 128 Ca 0.17 0.34 -0.01 0.00 -0.52 0.00 0.00 55.73 55.72 1wdk s ARG 128 Cb 0.02 -0.45 -0.02 0.00 0.52 0.00 0.00 34.95 35.02 1wdk s ARG 128 CO 0.01 -0.30 -0.09 0.08 0.02 0.00 0.00 175.30 175.02 1wdk s VAL 129 N 1.94 3.40 -0.01 3.52 1.01 -0.04 -0.81 120.40 129.41 1wdk s VAL 129 Ca 0.02 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1wdk s VAL 129 Cb -0.12 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1wdk s VAL 129 CO -0.03 0.53 -0.17 -0.32 0.00 0.00 0.00 175.10 175.11 1wdk s MET 130 N 0.08 1.39 0.27 2.72 0.00 -0.18 -0.40 119.30 123.18 1wdk s MET 130 Ca -0.03 -0.61 -0.29 0.00 0.00 0.00 0.00 55.69 54.76 1wdk s MET 130 Cb -0.14 -1.34 -0.09 0.00 0.00 0.00 0.00 34.83 33.26 1wdk s MET 130 CO 0.04 0.36 1.21 0.00 0.00 0.00 0.00 175.02 176.63 1wdk s ALA 131 N -0.38 3.46 -0.24 4.11 0.00 0.02 -1.50 121.76 127.23 1wdk s ALA 131 Ca 0.06 1.05 0.20 0.00 0.00 0.00 0.00 51.96 53.28 1wdk s ALA 131 Cb -0.07 -3.41 1.11 0.00 0.00 0.00 0.00 23.12 20.75 1wdk s ALA 131 CO -0.01 -0.40 1.62 -0.40 0.00 0.00 0.00 175.76 176.58 1wdk n ASP 132 N 1.43 0.53 -0.20 0.00 3.85 0.13 -1.41 116.55 120.87 1wdk n ASP 132 Ca 0.01 0.75 0.11 0.00 -0.71 0.00 0.00 54.79 54.95 1wdk n ASP 132 Cb 0.43 -0.81 0.01 0.00 -1.35 0.00 0.00 41.12 39.40 1wdk n ASP 132 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1wdk n SER 133 N -2.21 1.32 -4.90 -1.12 3.41 -1.26 -4.46 113.62 104.40 1wdk n SER 133 Ca -0.01 -1.10 -0.29 0.00 -0.26 0.00 0.00 58.87 57.21 1wdk n SER 133 Cb 0.03 0.66 0.09 0.00 -0.26 0.00 0.00 64.21 64.73 1wdk n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wdk s ALA 134 N -2.77 2.63 0.00 7.33 0.00 -0.50 -4.95 121.76 123.50 1wdk s ALA 134 Ca 0.14 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 1wdk s ALA 134 Cb 0.17 -2.96 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 1wdk s ALA 134 CO 0.71 -1.68 0.06 0.15 0.00 0.00 0.00 175.76 175.00 1wdk s LYS 135 N -5.56 0.32 0.04 0.00 1.02 -1.26 -3.40 119.74 110.90 1wdk s LYS 135 Ca 0.62 -0.35 -0.00 0.00 0.02 0.00 0.00 55.97 56.25 1wdk s LYS 135 Cb -0.11 0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.30 1wdk s LYS 135 CO 0.49 -0.07 -0.04 0.96 -0.92 0.00 0.00 175.35 175.78 1wdk s ILE 136 N -1.06 0.23 0.00 2.17 -4.36 -0.78 -1.54 121.20 115.86 1wdk s ILE 136 Ca -0.12 -1.39 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 1wdk s ILE 136 Cb -0.07 -0.94 0.00 0.00 1.25 0.00 0.00 42.46 42.71 1wdk s ILE 136 CO 0.00 -0.73 0.00 0.61 0.24 0.00 0.00 174.94 175.06 1wdk n GLY 137 N 0.82 0.88 2.98 6.27 0.00 -1.03 0.44 105.19 115.55 1wdk n GLY 137 Ca -0.19 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 1wdk n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wdk s LEU 138 N 0.00 4.50 -0.00 0.99 1.43 -1.26 -1.18 118.68 123.16 1wdk s LEU 138 Ca 0.00 -2.71 0.04 0.00 -1.03 0.00 0.00 54.13 50.43 1wdk s LEU 138 Cb 0.00 -1.64 0.13 0.00 0.03 0.00 0.00 46.19 44.70 1wdk s LEU 138 CO 0.00 -0.29 1.10 -0.81 0.23 0.00 0.00 176.35 176.58 1wdk n PRO 139 N 3.52 1.34 -0.31 1.29 -0.04 -1.26 -3.78 135.00 135.77 1wdk n PRO 139 Ca 0.05 -0.52 0.14 0.00 -0.04 0.00 0.00 63.50 63.13 1wdk n PRO 139 Cb 0.36 -1.13 0.32 0.00 -0.04 0.00 0.00 33.50 33.01 1wdk n PRO 139 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wdk h GLU 140 N 0.84 0.31 -0.14 0.54 4.39 -1.89 0.67 114.58 119.30 1wdk h GLU 140 Ca 0.00 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1wdk h GLU 140 Cb 0.21 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1wdk h GLU 140 CO 0.00 0.21 0.17 -0.39 -1.16 0.00 0.00 179.01 177.84 1wdk h VAL 141 N 0.32 0.44 0.00 3.13 -1.51 -1.71 0.29 116.25 117.21 1wdk h VAL 141 Ca 0.58 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 66.03 1wdk h VAL 141 Cb 1.15 0.86 -0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1wdk h VAL 141 CO -0.58 0.00 -0.09 0.11 -1.23 0.00 0.00 177.57 175.78 1wdk h LYS 142 N 0.00 0.00 -0.44 5.19 6.56 -1.13 -1.56 116.57 125.19 1wdk h LYS 142 Ca 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1wdk h LYS 142 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 1wdk h LYS 142 CO -0.00 0.09 0.00 1.28 -2.06 0.00 0.00 179.45 178.76 1wdk n LEU 143 N -4.13 3.22 0.00 2.94 4.77 0.07 -4.74 117.00 119.14 1wdk n LEU 143 Ca -0.03 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 1wdk n LEU 143 Cb 0.17 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1wdk n LEU 143 CO 0.33 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1wdk n GLY 144 N 1.46 0.61 0.00 -0.72 0.00 -0.59 -4.41 105.19 101.55 1wdk n GLY 144 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1wdk n GLY 144 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wdk n ILE 145 N -2.76 0.00 -3.91 -0.61 -5.35 -1.11 -4.48 119.36 101.14 1wdk n ILE 145 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.39 1wdk n ILE 145 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 37.85 1wdk n ILE 145 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 1wdk s TYR 146 N 0.61 0.18 -0.08 4.28 -0.85 -1.26 -2.53 117.35 117.71 1wdk s TYR 146 Ca 0.00 -0.55 -0.39 0.00 -0.52 0.00 0.00 57.07 55.61 1wdk s TYR 146 Cb 0.00 0.25 -0.19 0.00 0.38 0.00 0.00 41.96 42.40 1wdk s TYR 146 CO 0.00 -0.95 1.10 -2.30 -1.52 0.00 0.00 175.55 171.88 1wdk n PRO 147 N -0.35 0.00 0.00 -3.49 -0.02 -1.26 -4.88 135.00 125.00 1wdk n PRO 147 Ca -0.05 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.46 1wdk n PRO 147 Cb 0.62 -1.41 -0.03 0.00 -0.02 0.00 0.00 33.50 32.65 1wdk n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wdk n GLY 148 N 1.83 0.20 2.71 -1.23 0.00 -1.26 -4.48 105.19 102.96 1wdk n GLY 148 Ca 0.21 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1wdk n GLY 148 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wdk n PHE 149 N -0.96 3.30 -0.28 1.61 3.72 -1.26 -4.85 117.46 118.73 1wdk n PHE 149 Ca 0.02 -2.93 0.00 0.00 -0.05 0.00 0.00 57.45 54.49 1wdk n PHE 149 Cb 0.12 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 1wdk n PHE 149 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wdk n GLY 150 N -0.41 1.60 0.22 1.37 0.00 -1.26 -4.85 105.19 101.86 1wdk n GLY 150 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1wdk n GLY 150 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wdk h GLY 151 N 0.00 0.66 2.00 -0.02 0.00 -1.89 0.61 103.07 104.43 1wdk h GLY 151 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1wdk h GLY 151 CO 0.00 -0.15 0.00 -1.30 0.00 0.00 0.00 176.54 175.09 1wdk n THR 152 N -5.21 0.76 -0.11 4.70 -2.24 -1.26 -1.91 114.28 109.02 1wdk n THR 152 Ca 0.08 0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.76 1wdk n THR 152 Cb 0.32 -0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 67.46 1wdk n THR 152 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wdk n VAL 153 N -2.10 1.53 0.02 2.28 0.31 0.63 -4.43 118.33 116.56 1wdk n VAL 153 Ca 0.03 -0.06 -0.18 0.00 -0.01 0.00 0.00 64.34 64.12 1wdk n VAL 153 Cb 0.27 -2.05 -0.12 0.00 -0.91 0.00 0.00 33.84 31.03 1wdk n VAL 153 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1wdk h ARG 154 N -1.00 0.35 -0.57 5.55 3.08 0.03 -3.29 114.38 118.52 1wdk h ARG 154 Ca -0.38 -0.44 0.06 0.00 0.07 0.00 0.00 59.98 59.30 1wdk h ARG 154 Cb 1.29 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 31.43 1wdk h ARG 154 CO -0.23 1.14 0.28 1.25 -1.07 0.00 0.00 179.97 181.34 1wdk h LEU 155 N -0.24 0.38 -0.99 3.04 5.85 -1.58 -1.13 115.31 120.64 1wdk h LEU 155 Ca -0.09 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1wdk h LEU 155 Cb 1.40 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 1wdk h LEU 155 CO 0.12 0.25 -0.00 -0.65 -0.34 0.00 0.00 178.44 177.82 1wdk h PRO 156 N 0.52 0.72 0.00 5.25 0.11 -1.76 -0.12 132.00 136.72 1wdk h PRO 156 Ca 0.26 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1wdk h PRO 156 Cb 0.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1wdk h PRO 156 CO -0.20 0.74 0.00 0.54 -0.21 0.00 0.00 178.00 178.87 1wdk n ARG 157 N -4.23 0.08 -0.13 1.05 1.74 -0.90 -1.56 116.66 112.71 1wdk n ARG 157 Ca 0.02 0.09 -0.19 0.00 -0.77 0.00 0.00 57.85 57.00 1wdk n ARG 157 Cb 0.29 -1.59 -0.11 0.00 -1.02 0.00 0.00 32.46 30.02 1wdk n ARG 157 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wdk n LEU 158 N -1.73 2.81 0.00 0.55 4.77 -0.48 -4.54 117.00 118.39 1wdk n LEU 158 Ca 0.06 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1wdk n LEU 158 Cb 0.35 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1wdk n LEU 158 CO 0.27 0.86 0.32 2.30 -1.33 0.00 0.00 177.39 179.80 1wdk n ILE 159 N -3.38 0.27 0.00 -0.08 -5.35 -0.10 -4.85 119.36 105.88 1wdk n ILE 159 Ca -0.45 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.40 1wdk n ILE 159 Cb 0.95 0.87 0.00 0.00 -1.74 0.00 0.00 39.64 39.73 1wdk n ILE 159 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wdk n GLY 160 N -0.14 0.78 0.45 3.28 0.00 -0.60 -4.53 105.19 104.43 1wdk n GLY 160 Ca 0.00 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 1wdk n GLY 160 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wdk h VAL 161 N 0.00 0.00 -0.68 1.61 2.07 -1.90 0.08 116.25 117.44 1wdk h VAL 161 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 1wdk h VAL 161 Cb 0.00 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.66 1wdk h VAL 161 CO 0.00 0.00 0.04 0.44 0.02 0.00 0.00 177.57 178.07 1wdk h ASP 162 N -0.51 -0.22 -0.00 0.57 3.32 -1.94 0.20 116.42 117.82 1wdk h ASP 162 Ca 0.04 0.16 -0.19 0.00 0.02 0.00 0.00 57.03 57.06 1wdk h ASP 162 Cb 0.64 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1wdk h ASP 162 CO -0.48 -0.11 -0.67 0.78 -1.72 0.00 0.00 179.24 177.04 1wdk h ASN 163 N 0.15 0.73 -0.56 6.45 2.35 -1.72 -2.11 115.58 120.87 1wdk h ASN 163 Ca 0.36 -0.44 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1wdk h ASN 163 Cb 0.61 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1wdk h ASN 163 CO -0.55 1.20 0.16 0.00 -1.65 0.00 0.00 177.43 176.59 1wdk h ALA 164 N 0.79 0.73 -0.57 -0.83 0.00 0.13 -1.80 119.26 117.72 1wdk h ALA 164 Ca -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1wdk h ALA 164 Cb 1.26 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1wdk h ALA 164 CO 0.13 0.41 0.35 0.28 0.00 0.00 0.00 179.25 180.41 1wdk h VAL 165 N 0.78 1.17 -0.63 0.00 2.07 -0.61 -0.04 116.25 118.99 1wdk h VAL 165 Ca 0.18 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1wdk h VAL 165 Cb 0.30 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1wdk h VAL 165 CO -0.00 0.18 0.40 -0.08 0.02 0.00 0.00 177.57 178.08 1wdk h GLU 166 N 0.77 0.77 -0.09 1.57 4.81 -1.10 0.25 114.58 121.56 1wdk h GLU 166 Ca 0.21 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1wdk h GLU 166 Cb -0.02 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 1wdk h GLU 166 CO -0.04 0.51 -0.08 -1.49 -0.73 0.00 0.00 179.01 177.18 1wdk h TRP 167 N 0.79 0.26 -0.23 0.92 4.06 -1.00 -2.80 115.95 117.93 1wdk h TRP 167 Ca 0.25 -0.07 -0.17 0.00 2.06 0.00 0.00 58.89 60.96 1wdk h TRP 167 Cb -0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.09 1wdk h TRP 167 CO -0.04 0.63 -0.51 0.82 -3.56 0.00 0.00 178.44 175.78 1wdk h ILE 168 N -0.19 1.30 0.00 1.49 2.04 -0.88 0.38 117.51 121.65 1wdk h ILE 168 Ca 0.02 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.15 1wdk h ILE 168 Cb 0.58 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1wdk h ILE 168 CO 0.02 0.55 -0.05 0.00 0.00 0.00 0.00 178.15 178.67 1wdk h ALA 169 N 0.63 0.99 0.00 1.87 0.00 -0.63 -3.27 119.26 118.85 1wdk h ALA 169 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 1wdk h ALA 169 Cb 1.12 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1wdk h ALA 169 CO 0.11 0.06 -2.24 -1.13 0.00 0.00 0.00 179.25 176.05 1wdk n SER 170 N -3.13 0.65 -1.36 0.00 3.41 -1.06 -4.87 113.62 107.27 1wdk n SER 170 Ca 0.02 -0.01 -0.17 0.00 -0.26 0.00 0.00 58.87 58.45 1wdk n SER 170 Cb 0.41 0.86 -0.07 0.00 -0.26 0.00 0.00 64.21 65.16 1wdk n SER 170 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wdk n GLY 171 N 1.92 1.55 3.79 5.00 0.00 0.13 -4.92 105.19 112.66 1wdk n GLY 171 Ca -0.30 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 1wdk n GLY 171 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wdk s LYS 172 N -3.55 2.94 0.18 1.61 -2.85 -1.25 -3.98 119.74 112.83 1wdk s LYS 172 Ca 0.00 1.25 -0.17 0.00 -1.00 0.00 0.00 55.97 56.05 1wdk s LYS 172 Cb 0.00 -1.98 -0.07 0.00 -2.06 0.00 0.00 37.83 33.72 1wdk s LYS 172 CO 0.00 -1.12 0.63 -1.21 0.10 0.00 0.00 175.35 173.75 1wdk s GLU 173 N -4.30 4.11 -0.07 1.78 2.02 -1.26 -4.24 118.70 116.73 1wdk s GLU 173 Ca 0.64 0.67 0.05 0.00 0.02 0.00 0.00 54.97 56.35 1wdk s GLU 173 Cb -0.18 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 1wdk s GLU 173 CO 0.43 0.44 -0.25 -0.80 0.02 0.00 0.00 175.26 175.11 1wdk s ASN 174 N -1.67 3.09 0.67 -0.19 0.01 0.17 -4.92 114.94 112.09 1wdk s ASN 174 Ca 0.40 -0.53 -0.11 0.00 -0.71 0.00 0.00 52.86 51.91 1wdk s ASN 174 Cb -0.16 -1.04 -0.01 0.00 0.41 0.00 0.00 41.25 40.45 1wdk s ASN 174 CO 0.20 0.22 1.05 -0.13 -1.51 0.00 0.00 177.10 176.92 1wdk s ARG 175 N 0.01 3.16 0.21 -0.60 0.52 -1.26 -1.87 118.95 119.11 1wdk s ARG 175 Ca -0.09 0.90 -0.13 0.00 -0.52 0.00 0.00 55.73 55.89 1wdk s ARG 175 Cb -0.15 -2.02 0.24 0.00 0.52 0.00 0.00 34.95 33.54 1wdk s ARG 175 CO 0.06 -0.93 1.64 0.00 0.02 0.00 0.00 175.30 176.08 1wdk h ALA 176 N -0.54 0.45 -0.30 2.13 0.00 -1.77 -0.72 119.26 118.50 1wdk h ALA 176 Ca -0.44 0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1wdk h ALA 176 Cb 1.20 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 19.35 1wdk h ALA 176 CO 0.58 -0.42 -0.31 1.49 0.00 0.00 0.00 179.25 180.59 1wdk h GLU 177 N 0.02 -0.28 -0.60 0.00 4.81 -1.92 -1.33 114.58 115.28 1wdk h GLU 177 Ca 0.30 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.47 1wdk h GLU 177 Cb 0.47 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1wdk h GLU 177 CO -0.61 -0.18 0.06 -0.44 -0.73 0.00 0.00 179.01 177.10 1wdk h ASP 178 N -0.29 0.99 -0.31 1.04 3.32 -1.75 -2.69 116.42 116.74 1wdk h ASP 178 Ca 0.15 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.93 1wdk h ASP 178 Cb 0.53 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1wdk h ASP 178 CO -0.46 1.02 0.20 0.00 -1.72 0.00 0.00 179.24 178.28 1wdk h ALA 179 N 1.00 1.82 -0.08 3.45 0.00 -0.57 -1.88 119.26 123.01 1wdk h ALA 179 Ca 0.18 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 1wdk h ALA 179 Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wdk h ALA 179 CO 0.02 0.16 -0.82 1.25 0.00 0.00 0.00 179.25 179.86 1wdk h LEU 180 N 0.39 0.68 -1.43 0.00 6.46 -1.03 0.36 115.31 120.73 1wdk h LEU 180 Ca 0.12 -0.48 -0.06 0.00 -0.12 0.00 0.00 57.88 57.34 1wdk h LEU 180 Cb -0.00 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 1wdk h LEU 180 CO -0.03 1.25 -0.29 0.11 -0.62 0.00 0.00 178.44 178.87 1wdk h LYS 181 N 0.36 0.00 -0.02 1.25 1.57 -1.03 -2.24 116.57 116.46 1wdk h LYS 181 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1wdk h LYS 181 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1wdk h LYS 181 CO 0.15 0.29 -0.15 1.33 -0.57 0.00 0.00 179.45 180.49 1wdk n VAL 182 N -4.13 0.00 -2.13 0.50 0.24 -0.98 -4.97 118.33 106.87 1wdk n VAL 182 Ca -0.02 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.34 61.75 1wdk n VAL 182 Cb 0.34 1.34 -0.01 0.00 -1.47 0.00 0.00 33.84 34.04 1wdk n VAL 182 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1wdk n SER 183 N 0.82 -4.08 0.20 -1.34 7.64 -0.84 -4.56 113.62 111.46 1wdk n SER 183 Ca 0.13 0.03 0.07 0.00 1.01 0.00 0.00 58.87 60.11 1wdk n SER 183 Cb 0.54 -3.21 0.40 0.00 -1.01 0.00 0.00 64.21 60.94 1wdk n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wdk h ALA 184 N 0.53 1.04 -2.42 -0.43 0.00 -1.21 -3.44 119.26 113.33 1wdk h ALA 184 Ca -0.30 -0.28 -0.39 0.00 0.00 0.00 0.00 54.91 53.94 1wdk h ALA 184 Cb 1.17 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.76 1wdk h ALA 184 CO 0.36 0.38 -0.73 0.08 0.00 0.00 0.00 179.25 179.34 1wdk s VAL 185 N -3.69 1.39 -0.19 0.00 1.01 -1.07 -4.87 120.40 112.97 1wdk s VAL 185 Ca -0.00 -2.01 0.17 0.00 0.00 0.00 0.00 61.98 60.15 1wdk s VAL 185 Cb 0.11 -1.81 -0.25 0.00 0.00 0.00 0.00 36.38 34.43 1wdk s VAL 185 CO 0.66 -0.60 0.45 0.47 0.00 0.00 0.00 175.10 176.08 1wdk n ASP 186 N -0.04 0.98 -3.56 3.32 8.00 0.01 -4.55 116.55 120.71 1wdk n ASP 186 Ca -0.11 -0.20 -0.17 0.00 0.71 0.00 0.00 54.79 55.02 1wdk n ASP 186 Cb 0.59 1.62 -0.07 0.00 -0.02 0.00 0.00 41.12 43.25 1wdk n ASP 186 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wdk s ALA 187 N -3.07 -1.64 -0.11 2.24 0.00 -1.19 -5.03 121.76 112.96 1wdk s ALA 187 Ca -0.04 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.20 1wdk s ALA 187 Cb 0.11 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1wdk s ALA 187 CO 0.72 -0.35 -0.13 0.08 0.00 0.00 0.00 175.76 176.08 1wdk s VAL 188 N -1.02 1.32 0.27 0.00 1.01 -1.26 -1.01 120.40 119.72 1wdk s VAL 188 Ca -0.10 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1wdk s VAL 188 Cb -0.01 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1wdk s VAL 188 CO 0.08 0.41 0.13 0.68 0.00 0.00 0.00 175.10 176.40 1wdk s VAL 189 N 1.17 0.40 0.82 2.92 -7.23 -0.56 -4.90 120.40 113.01 1wdk s VAL 189 Ca -0.04 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.02 1wdk s VAL 189 Cb -0.14 -2.57 0.08 0.00 0.56 0.00 0.00 36.38 34.31 1wdk s VAL 189 CO -0.03 0.00 1.09 0.42 -0.31 0.00 0.00 175.10 176.27 1wdk s THR 190 N -3.73 3.10 0.31 5.32 -4.23 -1.26 -0.69 115.64 114.44 1wdk s THR 190 Ca 0.37 0.36 -0.00 0.00 -1.18 0.00 0.00 61.69 61.23 1wdk s THR 190 Cb 0.06 -2.88 0.27 0.00 1.34 0.00 0.00 72.50 71.30 1wdk s THR 190 CO 0.15 -0.47 1.95 0.00 -0.54 0.00 0.00 174.62 175.71 1wdk h ALA 191 N -1.26 1.47 0.00 3.99 0.00 -1.95 -2.42 119.26 119.09 1wdk h ALA 191 Ca -0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1wdk h ALA 191 Cb 1.25 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1wdk h ALA 191 CO 0.53 0.45 -0.08 -0.44 0.00 0.00 0.00 179.25 179.71 1wdk h ASP 192 N 1.06 0.00 -0.02 0.00 3.32 -2.03 -3.09 116.42 115.66 1wdk h ASP 192 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1wdk h ASP 192 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1wdk h ASP 192 CO -0.10 0.08 -0.01 0.29 -1.72 0.00 0.00 179.24 177.79 1wdk n LYS 193 N -3.29 1.38 -0.19 3.56 5.02 -0.94 -4.59 118.16 119.12 1wdk n LYS 193 Ca -0.01 -1.51 0.00 0.00 -2.02 0.00 0.00 58.31 54.78 1wdk n LYS 193 Cb 0.29 -1.33 0.09 0.00 -0.02 0.00 0.00 35.03 34.06 1wdk n LYS 193 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1wdk h LEU 194 N 3.34 -0.23 -0.22 -0.35 6.46 -1.41 0.30 115.31 123.20 1wdk h LEU 194 Ca 0.00 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1wdk h LEU 194 Cb 0.71 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.87 1wdk h LEU 194 CO 0.00 -0.09 0.13 1.23 -0.62 0.00 0.00 178.44 179.09 1wdk h GLY 195 N 0.13 0.33 1.47 3.75 0.00 -1.81 -1.30 103.07 105.63 1wdk h GLY 195 Ca 0.30 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.39 1wdk h GLY 195 CO -0.49 0.14 -0.21 0.00 0.00 0.00 0.00 176.54 175.98 1wdk h ALA 196 N 1.02 1.03 -0.45 3.60 0.00 -1.64 -1.32 119.26 121.49 1wdk h ALA 196 Ca 0.08 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1wdk h ALA 196 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1wdk h ALA 196 CO -0.01 0.58 0.05 0.00 0.00 0.00 0.00 179.25 179.87 1wdk h ALA 197 N 1.22 0.60 -0.58 0.00 0.00 -0.23 0.12 119.26 120.40 1wdk h ALA 197 Ca 0.08 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1wdk h ALA 197 Cb 0.66 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1wdk h ALA 197 CO 0.05 0.35 0.06 0.00 0.00 0.00 0.00 179.25 179.71 1wdk h ALA 198 N 0.94 0.78 -0.50 0.00 0.00 -1.07 0.28 119.26 119.69 1wdk h ALA 198 Ca 0.14 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1wdk h ALA 198 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1wdk h ALA 198 CO 0.01 0.56 -0.18 1.25 0.00 0.00 0.00 179.25 180.90 1wdk h LEU 199 N 0.89 1.02 -0.31 0.00 7.12 -1.08 -1.97 115.31 120.97 1wdk h LEU 199 Ca 0.17 -0.38 -0.06 0.00 0.13 0.00 0.00 57.88 57.74 1wdk h LEU 199 Cb 0.47 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 1wdk h LEU 199 CO 0.02 1.17 -0.03 -0.78 -0.13 0.00 0.00 178.44 178.69 1wdk h ASP 200 N 0.86 0.56 -0.10 1.25 1.82 -0.55 -2.70 116.42 117.56 1wdk h ASP 200 Ca 0.12 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 56.42 1wdk h ASP 200 Cb 0.76 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.61 1wdk h ASP 200 CO 0.06 0.76 0.06 0.25 -1.61 0.00 0.00 179.24 178.76 1wdk h LEU 201 N 0.35 0.12 -0.86 2.28 6.46 -0.90 -2.73 115.31 120.04 1wdk h LEU 201 Ca 0.08 -0.07 0.10 0.00 -0.12 0.00 0.00 57.88 57.88 1wdk h LEU 201 Cb 0.49 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.31 1wdk h LEU 201 CO 0.02 0.16 0.50 0.40 -0.62 0.00 0.00 178.44 178.89 1wdk h ILE 202 N 0.08 0.90 -0.50 4.05 1.08 -1.34 -1.26 117.51 120.52 1wdk h ILE 202 Ca 0.04 -0.28 -0.05 0.00 -0.39 0.00 0.00 64.86 64.17 1wdk h ILE 202 Cb 0.06 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 33.80 1wdk h ILE 202 CO -0.01 0.15 0.09 0.11 -0.69 0.00 0.00 178.15 177.81 1wdk h LYS 203 N 0.81 0.77 0.00 2.37 1.57 -1.27 -0.55 116.57 120.27 1wdk h LYS 203 Ca 0.42 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1wdk h LYS 203 Cb 0.40 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1wdk h LYS 203 CO -0.26 0.72 -0.26 0.00 -0.57 0.00 0.00 179.45 179.08 1wdk h ARG 204 N 0.74 0.00 0.06 3.15 3.08 -0.96 0.62 114.38 121.07 1wdk h ARG 204 Ca 0.16 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.00 1wdk h ARG 204 Cb 0.31 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.38 1wdk h ARG 204 CO 0.00 0.26 -0.87 0.00 -1.07 0.00 0.00 179.97 178.29 1wdk h ALA 205 N 1.74 0.02 -0.66 0.04 0.00 -0.58 0.14 119.26 119.95 1wdk h ALA 205 Ca -0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 1wdk h ALA 205 Cb 0.69 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1wdk h ALA 205 CO 0.03 0.48 0.09 0.82 0.00 0.00 0.00 179.25 180.67 1wdk h ILE 206 N -0.00 1.27 0.00 0.00 2.04 -0.78 -2.20 117.51 117.84 1wdk h ILE 206 Ca -0.13 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1wdk h ILE 206 Cb 1.59 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1wdk h ILE 206 CO 0.17 0.40 0.00 -1.54 0.00 0.00 0.00 178.15 177.18 1wdk n SER 207 N -4.21 0.52 0.00 1.72 3.41 0.18 -4.85 113.62 110.39 1wdk n SER 207 Ca 0.04 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 1wdk n SER 207 Cb 0.31 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1wdk n SER 207 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wdk n GLY 208 N 0.13 0.68 0.34 5.00 0.00 -0.83 -4.93 105.19 105.59 1wdk n GLY 208 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1wdk n GLY 208 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wdk h GLU 209 N 4.17 1.18 -5.28 1.61 4.81 -1.06 -3.38 114.58 116.62 1wdk h GLU 209 Ca 0.00 -0.07 -0.64 0.00 -0.13 0.00 0.00 59.36 58.52 1wdk h GLU 209 Cb 0.00 -0.27 -0.22 0.00 0.63 0.00 0.00 28.75 28.90 1wdk h GLU 209 CO 0.00 0.78 -0.67 -0.51 -0.73 0.00 0.00 179.01 177.88 1wdk s LEU 210 N -10.13 3.23 -1.08 1.64 1.43 0.01 -4.98 118.68 108.79 1wdk s LEU 210 Ca -0.13 -0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 1wdk s LEU 210 Cb 0.17 -1.78 0.11 0.00 0.03 0.00 0.00 46.19 44.72 1wdk s LEU 210 CO 0.80 0.16 1.38 -0.62 0.23 0.00 0.00 176.35 178.30 1wdk s ASP 211 N 0.42 6.75 0.48 2.29 -1.08 -1.26 -4.42 116.67 119.84 1wdk s ASP 211 Ca -0.04 -2.21 0.14 0.00 -0.52 0.00 0.00 52.55 49.92 1wdk s ASP 211 Cb -0.14 -2.47 1.13 0.00 -1.46 0.00 0.00 42.92 39.98 1wdk s ASP 211 CO 0.03 -1.10 2.08 0.10 0.52 0.00 0.00 175.17 176.80 1wdk h TYR 212 N 8.43 0.06 -0.45 -5.34 -0.00 -1.94 -1.57 116.97 116.15 1wdk h TYR 212 Ca 0.26 -0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.88 1wdk h TYR 212 Cb 0.96 -0.02 -0.01 0.00 0.00 0.00 0.00 36.73 37.66 1wdk h TYR 212 CO 1.22 0.10 -0.11 0.87 -0.00 0.00 0.00 178.16 180.24 1wdk h LYS 213 N 0.06 0.88 -0.16 0.10 1.79 -1.97 -1.63 116.57 115.63 1wdk h LYS 213 Ca 0.01 -0.34 -0.11 0.00 -2.18 0.00 0.00 60.65 58.04 1wdk h LYS 213 Cb 0.11 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1wdk h LYS 213 CO 0.01 0.98 -0.39 0.00 -1.08 0.00 0.00 179.45 178.96 1wdk h ALA 214 N 0.87 1.04 0.00 3.86 0.00 -1.80 -1.28 119.26 121.95 1wdk h ALA 214 Ca 0.11 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1wdk h ALA 214 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1wdk h ALA 214 CO 0.04 0.60 -0.31 -0.22 0.00 0.00 0.00 179.25 179.37 1wdk h LYS 215 N 0.29 0.00 0.21 0.00 3.64 -1.06 -3.18 116.57 116.47 1wdk h LYS 215 Ca 0.03 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.08 1wdk h LYS 215 Cb 0.82 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1wdk h LYS 215 CO 0.07 0.31 -1.53 -0.09 -2.27 0.00 0.00 179.45 175.93 1wdk h ARG 216 N 0.00 0.45 -0.86 1.90 2.43 -0.93 -3.40 114.38 113.98 1wdk h ARG 216 Ca -0.00 -0.78 0.16 0.00 -0.81 0.00 0.00 59.98 58.56 1wdk h ARG 216 Cb 0.83 0.29 -0.16 0.00 -0.42 0.00 0.00 29.97 30.51 1wdk h ARG 216 CO 0.04 1.37 -0.24 0.94 -1.51 0.00 0.00 179.97 180.57 1wdk n GLN 217 N -3.72 -0.10 -0.35 0.20 -0.06 -0.52 -1.87 117.38 110.97 1wdk n GLN 217 Ca -0.20 1.34 0.31 0.00 -2.00 0.00 0.00 57.00 56.45 1wdk n GLN 217 Cb 1.06 -2.00 0.66 0.00 -4.06 0.00 0.00 30.24 25.90 1wdk n GLN 217 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 1wdk h PRO 218 N 0.00 0.15 -0.40 3.69 0.11 -1.77 0.21 132.00 133.99 1wdk h PRO 218 Ca 0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1wdk h PRO 218 Cb 0.61 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1wdk h PRO 218 CO -0.88 0.10 0.00 0.36 -0.21 0.00 0.00 178.00 177.37 1wdk n LYS 219 N -4.38 1.93 -0.08 1.05 2.85 -0.78 -3.45 118.16 115.30 1wdk n LYS 219 Ca 0.27 -1.34 0.04 0.00 -1.05 0.00 0.00 58.31 56.23 1wdk n LYS 219 Cb 1.15 -1.33 0.08 0.00 -0.65 0.00 0.00 35.03 34.28 1wdk n LYS 219 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1wdk n LEU 220 N 0.55 2.31 -4.21 -5.58 4.77 0.75 -4.31 117.00 111.28 1wdk n LEU 220 Ca 0.12 -1.71 -0.16 0.00 -0.03 0.00 0.00 56.01 54.24 1wdk n LEU 220 Cb 0.34 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1wdk n LEU 220 CO 0.09 0.55 -0.07 -1.83 -1.33 0.00 0.00 177.39 174.80 1wdk s GLU 221 N -0.88 1.65 0.97 3.23 -1.05 -1.22 -3.98 118.70 117.42 1wdk s GLU 221 Ca 0.13 -1.83 -0.11 0.00 -0.15 0.00 0.00 54.97 53.01 1wdk s GLU 221 Cb 0.07 0.35 0.17 0.00 -0.44 0.00 0.00 34.13 34.28 1wdk s GLU 221 CO 0.10 -0.62 1.10 -1.59 0.95 0.00 0.00 175.26 175.20 1wdk s LYS 222 N -3.55 0.62 0.73 -4.83 -2.85 -1.15 -4.63 119.74 104.08 1wdk s LYS 222 Ca 0.37 1.26 -0.13 0.00 -1.00 0.00 0.00 55.97 56.48 1wdk s LYS 222 Cb 0.03 -1.70 0.04 0.00 -2.06 0.00 0.00 37.83 34.13 1wdk s LYS 222 CO 0.22 -2.81 1.12 -0.51 0.10 0.00 0.00 175.35 173.47 1wdk s LEU 223 N -6.68 3.20 0.44 2.77 1.43 -0.32 -4.94 118.68 114.58 1wdk s LEU 223 Ca 0.66 1.99 0.24 0.00 -1.03 0.00 0.00 54.13 56.00 1wdk s LEU 223 Cb -0.22 -4.55 0.46 0.00 0.03 0.00 0.00 46.19 41.91 1wdk s LEU 223 CO 0.59 -1.99 1.65 0.11 0.23 0.00 0.00 176.35 176.95 1wdk h LYS 224 N -0.61 0.00 -7.02 1.70 1.57 -1.94 -3.47 116.57 106.80 1wdk h LYS 224 Ca -0.45 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.77 1wdk h LYS 224 Cb 1.25 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.70 1wdk h LYS 224 CO 0.51 0.00 0.53 1.28 -0.57 0.00 0.00 179.45 181.21 1wdk n LEU 225 N -3.07 5.41 -4.71 2.94 4.32 -1.26 -5.01 117.00 115.62 1wdk n LEU 225 Ca 0.04 0.93 -0.30 0.00 -0.02 0.00 0.00 56.01 56.66 1wdk n LEU 225 Cb 0.50 -1.55 0.14 0.00 -1.62 0.00 0.00 43.42 40.89 1wdk n LEU 225 CO 0.33 -0.80 0.67 0.20 -1.22 0.00 0.00 177.39 176.57 1wdk s ASN 226 N -1.03 3.54 0.18 -1.43 0.01 -1.26 -4.75 114.94 110.21 1wdk s ASN 226 Ca 0.74 1.72 -0.10 0.00 -0.71 0.00 0.00 52.86 54.51 1wdk s ASN 226 Cb -0.41 -2.37 0.09 0.00 0.41 0.00 0.00 41.25 38.97 1wdk s ASN 226 CO 0.47 -2.63 1.70 0.00 -1.51 0.00 0.00 177.10 175.13 1wdk h ALA 227 N -1.54 0.86 0.11 0.60 0.00 -1.98 0.39 119.26 117.70 1wdk h ALA 227 Ca -0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1wdk h ALA 227 Cb 1.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1wdk h ALA 227 CO 0.51 0.58 -0.06 0.82 0.00 0.00 0.00 179.25 181.10 1wdk h ILE 228 N 0.97 0.97 -0.25 0.00 1.08 -2.00 -1.16 117.51 117.11 1wdk h ILE 228 Ca 0.20 -0.33 -0.07 0.00 -0.39 0.00 0.00 64.86 64.28 1wdk h ILE 228 Cb 0.37 1.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 1wdk h ILE 228 CO 0.00 0.08 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.06 1wdk h GLU 229 N -0.30 0.43 -0.19 2.37 4.39 -1.88 -2.11 114.58 117.29 1wdk h GLU 229 Ca -0.02 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 1wdk h GLU 229 Cb 0.25 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1wdk h GLU 229 CO 0.03 0.58 0.10 1.96 -1.16 0.00 0.00 179.01 180.52 1wdk h GLN 230 N 0.40 0.27 -0.32 2.33 4.20 -0.03 0.69 115.11 122.64 1wdk h GLN 230 Ca 0.07 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.78 1wdk h GLN 230 Cb 0.50 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1wdk h GLN 230 CO 0.03 0.28 0.12 1.98 -0.67 0.00 0.00 178.83 180.57 1wdk h MET 231 N 0.20 0.26 -0.16 1.46 4.05 -0.92 0.15 114.93 119.96 1wdk h MET 231 Ca 0.07 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1wdk h MET 231 Cb 0.09 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 1wdk h MET 231 CO -0.01 0.17 0.07 1.98 0.23 0.00 0.00 176.91 179.35 1wdk h MET 232 N 0.27 0.15 0.05 0.39 1.85 -1.18 -0.53 114.93 115.93 1wdk h MET 232 Ca 0.14 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.22 1wdk h MET 232 Cb 0.10 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.10 1wdk h MET 232 CO -0.14 0.10 -0.02 0.00 -0.40 0.00 0.00 176.91 176.45 1wdk h ALA 233 N 1.09 -0.07 -0.27 0.39 0.00 -0.42 -2.47 119.26 117.52 1wdk h ALA 233 Ca 0.07 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1wdk h ALA 233 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1wdk h ALA 233 CO -0.06 -0.45 -0.20 0.74 0.00 0.00 0.00 179.25 179.27 1wdk h PHE 234 N -0.23 0.72 -0.48 0.00 0.05 -0.67 -1.65 116.94 114.67 1wdk h PHE 234 Ca -0.01 -0.20 -0.07 0.00 3.82 0.00 0.00 57.97 61.51 1wdk h PHE 234 Cb 0.21 -0.16 -0.02 0.00 2.00 0.00 0.00 35.95 37.98 1wdk h PHE 234 CO -0.02 0.89 0.01 0.93 -0.18 0.00 0.00 178.31 179.95 1wdk h GLU 235 N 0.33 0.80 -0.03 1.51 4.39 -1.17 0.40 114.58 120.81 1wdk h GLU 235 Ca 0.05 -0.21 -0.23 0.00 0.34 0.00 0.00 59.36 59.32 1wdk h GLU 235 Cb 0.75 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1wdk h GLU 235 CO 0.05 0.79 -0.91 1.79 -1.16 0.00 0.00 179.01 179.58 1wdk h THR 236 N 0.75 1.36 0.28 1.13 1.35 -1.47 -1.26 112.91 115.06 1wdk h THR 236 Ca 0.15 -2.30 -0.01 0.00 -0.55 0.00 0.00 66.41 63.70 1wdk h THR 236 Cb 0.43 2.31 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 1wdk h THR 236 CO 0.02 0.70 -0.18 0.00 -0.25 0.00 0.00 175.52 175.80 1wdk h ALA 237 N 0.69 -0.44 -0.51 6.62 0.00 -0.98 0.32 119.26 124.96 1wdk h ALA 237 Ca -0.08 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1wdk h ALA 237 Cb 1.53 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 1wdk h ALA 237 CO 0.16 -0.76 0.23 0.87 0.00 0.00 0.00 179.25 179.75 1wdk h LYS 238 N -0.46 0.43 0.10 0.00 1.57 -0.93 0.23 116.57 117.52 1wdk h LYS 238 Ca -0.03 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1wdk h LYS 238 Cb 0.39 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1wdk h LYS 238 CO 0.02 0.29 -0.08 0.78 -0.57 0.00 0.00 179.45 179.89 1wdk h GLY 239 N 0.45 -0.18 0.86 3.86 0.00 -0.84 0.19 103.07 107.41 1wdk h GLY 239 Ca 0.23 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 1wdk h GLY 239 CO -0.19 -0.08 0.06 -2.75 0.00 0.00 0.00 176.54 173.58 1wdk h PHE 240 N -0.18 0.31 -0.31 5.60 3.57 -0.03 -2.79 116.94 123.11 1wdk h PHE 240 Ca -0.00 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 1wdk h PHE 240 Cb 0.17 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1wdk h PHE 240 CO -0.09 0.40 -0.12 0.28 -2.23 0.00 0.00 178.31 176.55 1wdk h VAL 241 N 0.13 1.23 0.46 1.41 2.07 -0.49 -3.13 116.25 117.93 1wdk h VAL 241 Ca 0.06 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 1wdk h VAL 241 Cb 0.24 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1wdk h VAL 241 CO -0.00 0.34 -0.22 0.00 0.02 0.00 0.00 177.57 177.71 1wdk h ALA 242 N 1.39 -0.61 0.00 1.67 0.00 -0.47 0.34 119.26 121.57 1wdk h ALA 242 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wdk h ALA 242 Cb 0.49 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1wdk h ALA 242 CO 0.03 -0.84 0.00 0.41 0.00 0.00 0.00 179.25 178.85 1wdk n GLY 243 N -1.33 -0.73 0.00 0.00 0.00 -1.07 -1.66 105.19 100.41 1wdk n GLY 243 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1wdk n GLY 243 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wdk n GLN 244 N -0.53 3.23 -0.05 1.61 7.27 -0.95 -4.75 117.38 123.22 1wdk n GLN 244 Ca 0.01 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.95 1wdk n GLN 244 Cb 0.01 -0.97 -0.14 0.00 2.41 0.00 0.00 30.24 31.54 1wdk n GLN 244 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wdk n ALA 245 N -1.99 1.33 0.00 1.69 0.00 0.07 -5.10 120.51 116.51 1wdk n ALA 245 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1wdk n ALA 245 Cb 0.47 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1wdk n ALA 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wdk n GLY 246 N 1.80 1.75 0.28 0.00 0.00 -0.66 -4.52 105.19 103.84 1wdk n GLY 246 Ca -0.28 -1.87 0.17 0.00 0.00 0.00 0.00 46.02 44.04 1wdk n GLY 246 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wdk h PRO 247 N 0.00 0.00 -0.09 1.61 0.11 -1.97 -3.01 132.00 128.65 1wdk h PRO 247 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1wdk h PRO 247 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1wdk h PRO 247 CO 0.00 0.05 0.00 0.09 -0.21 0.00 0.00 178.00 177.93 1wdk n ASN 248 N -3.28 0.84 -3.84 -2.05 3.02 -1.26 -4.56 115.26 104.13 1wdk n ASN 248 Ca -0.01 -1.62 -0.30 0.00 -0.03 0.00 0.00 54.58 52.62 1wdk n ASN 248 Cb 0.24 -0.06 -0.14 0.00 -0.61 0.00 0.00 39.78 39.21 1wdk n ASN 248 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1wdk s TYR 249 N -1.88 2.64 0.11 3.10 1.51 -1.14 -4.91 117.35 116.78 1wdk s TYR 249 Ca 0.28 -2.81 -0.19 0.00 -1.01 0.00 0.00 57.07 53.34 1wdk s TYR 249 Cb 0.14 -2.39 -0.07 0.00 -0.11 0.00 0.00 41.96 39.53 1wdk s TYR 249 CO 0.22 -0.77 1.72 -1.35 -1.11 0.00 0.00 175.55 174.26 1wdk h PRO 250 N 6.68 0.30 -0.56 -1.71 0.11 -1.86 -3.36 132.00 131.60 1wdk h PRO 250 Ca -0.05 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.08 1wdk h PRO 250 Cb 0.91 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.90 1wdk h PRO 250 CO 0.59 0.27 -0.33 0.00 -0.21 0.00 0.00 178.00 178.32 1wdk n ALA 251 N -2.19 -0.36 -0.19 -0.75 0.00 -1.26 -1.06 120.51 114.70 1wdk n ALA 251 Ca -0.03 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1wdk n ALA 251 Cb 0.07 0.06 0.09 0.00 0.00 0.00 0.00 19.45 19.67 1wdk n ALA 251 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1wdk h PRO 252 N 0.00 0.12 -0.15 0.00 0.11 -1.87 -1.32 132.00 128.89 1wdk h PRO 252 Ca 0.09 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.02 1wdk h PRO 252 Cb 0.23 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 1wdk h PRO 252 CO -0.53 0.08 -0.62 0.28 -0.21 0.00 0.00 178.00 177.00 1wdk h VAL 253 N 0.12 1.34 -0.64 3.15 2.07 -1.61 -3.05 116.25 117.63 1wdk h VAL 253 Ca 0.31 -1.92 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 1wdk h VAL 253 Cb 0.49 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1wdk h VAL 253 CO -0.50 0.59 0.26 -0.33 0.02 0.00 0.00 177.57 177.61 1wdk h GLU 254 N 0.38 0.94 -0.64 1.57 4.39 -0.46 0.58 114.58 121.34 1wdk h GLU 254 Ca -0.01 -0.17 0.07 0.00 0.34 0.00 0.00 59.36 59.60 1wdk h GLU 254 Cb 1.18 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.61 1wdk h GLU 254 CO 0.11 0.79 0.32 0.00 -1.16 0.00 0.00 179.01 179.07 1wdk h ALA 255 N 1.11 0.85 -0.44 3.43 0.00 -1.24 0.52 119.26 123.49 1wdk h ALA 255 Ca 0.21 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1wdk h ALA 255 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1wdk h ALA 255 CO -0.02 -0.05 0.10 0.82 0.00 0.00 0.00 179.25 180.10 1wdk h ILE 256 N 0.57 1.24 -0.68 0.00 2.04 -1.31 -1.09 117.51 118.29 1wdk h ILE 256 Ca 0.30 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1wdk h ILE 256 Cb 0.27 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1wdk h ILE 256 CO -0.23 0.29 0.34 0.11 0.00 0.00 0.00 178.15 178.66 1wdk h LYS 257 N 0.58 0.96 -0.39 2.37 1.57 0.29 -0.02 116.57 121.93 1wdk h LYS 257 Ca 0.14 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1wdk h LYS 257 Cb 0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1wdk h LYS 257 CO 0.00 0.73 0.08 1.15 -0.57 0.00 0.00 179.45 180.85 1wdk h THR 258 N 0.96 1.23 -0.06 -0.16 2.02 0.40 -0.26 112.91 117.04 1wdk h THR 258 Ca 0.24 -0.82 -0.10 0.00 0.77 0.00 0.00 66.41 66.50 1wdk h THR 258 Cb 0.08 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1wdk h THR 258 CO -0.03 0.28 -0.40 0.40 0.37 0.00 0.00 175.52 176.14 1wdk h ILE 259 N 0.49 1.30 -0.27 3.11 2.04 -0.79 -1.87 117.51 121.53 1wdk h ILE 259 Ca 0.12 -1.45 -0.13 0.00 1.00 0.00 0.00 64.86 64.39 1wdk h ILE 259 Cb 0.34 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1wdk h ILE 259 CO 0.00 0.43 -0.35 -0.61 0.00 0.00 0.00 178.15 177.62 1wdk h GLN 260 N 0.12 0.72 -0.04 2.37 4.15 -0.74 -1.36 115.11 120.32 1wdk h GLN 260 Ca 0.01 -0.41 -0.08 0.00 0.77 0.00 0.00 58.65 58.94 1wdk h GLN 260 Cb 0.76 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 1wdk h GLN 260 CO 0.06 1.03 -0.36 0.87 -1.93 0.00 0.00 178.83 178.49 1wdk h LYS 261 N 0.46 0.08 -0.01 1.69 1.57 -0.84 -2.91 116.57 116.60 1wdk h LYS 261 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wdk h LYS 261 Cb 0.94 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1wdk h LYS 261 CO 0.08 0.43 -0.38 0.00 -0.57 0.00 0.00 179.45 179.02 1wdk n ALA 262 N -2.47 3.33 -0.30 3.86 0.00 -0.72 -4.56 120.51 119.65 1wdk n ALA 262 Ca -0.02 -0.45 0.14 0.00 0.00 0.00 0.00 53.44 53.11 1wdk n ALA 262 Cb 0.42 -1.05 0.27 0.00 0.00 0.00 0.00 19.45 19.08 1wdk n ALA 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wdk n ALA 263 N -0.72 0.46 -0.82 0.00 0.00 -0.52 0.13 120.51 119.04 1wdk n ALA 263 Ca 0.10 0.92 0.07 0.00 0.00 0.00 0.00 53.44 54.53 1wdk n ALA 263 Cb 0.37 -0.68 0.39 0.00 0.00 0.00 0.00 19.45 19.53 1wdk n ALA 263 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wdk n ASN 264 N -5.22 5.53 -4.73 0.00 3.02 -1.26 -1.18 115.26 111.41 1wdk n ASN 264 Ca 0.21 -2.83 -0.22 0.00 -0.03 0.00 0.00 54.58 51.70 1wdk n ASN 264 Cb 0.68 -0.67 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 1wdk n ASN 264 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1wdk s PHE 265 N -2.58 2.88 0.00 3.10 2.99 0.12 -4.69 117.98 119.80 1wdk s PHE 265 Ca 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 56.93 57.28 1wdk s PHE 265 Cb 0.40 -1.33 0.00 0.00 0.00 0.00 0.00 43.02 42.09 1wdk s PHE 265 CO 0.17 0.55 0.00 0.41 -0.00 0.00 0.00 175.22 176.35 1wdk n GLY 266 N -1.05 -0.09 0.24 4.36 0.00 -1.26 -2.96 105.19 104.43 1wdk n GLY 266 Ca -0.07 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 1wdk n GLY 266 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wdk h ARG 267 N 0.00 -0.48 -0.58 1.61 2.43 -1.75 -2.58 114.38 113.02 1wdk h ARG 267 Ca 0.00 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 1wdk h ARG 267 Cb 0.00 0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 29.57 1wdk h ARG 267 CO 0.00 -0.32 0.11 -0.44 -1.51 0.00 0.00 179.97 177.80 1wdk h ASP 268 N -0.50 -0.04 -0.47 -3.80 3.32 -1.94 0.69 116.42 113.68 1wdk h ASP 268 Ca -0.04 0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1wdk h ASP 268 Cb 0.43 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1wdk h ASP 268 CO -0.01 -0.01 -0.07 0.11 -1.72 0.00 0.00 179.24 177.55 1wdk h LYS 269 N 0.23 0.88 -0.19 3.56 1.57 -1.95 -2.42 116.57 118.25 1wdk h LYS 269 Ca 0.30 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1wdk h LYS 269 Cb 0.46 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1wdk h LYS 269 CO -0.41 0.96 0.05 0.00 -0.57 0.00 0.00 179.45 179.48 1wdk h ALA 270 N 0.90 1.73 -0.35 3.86 0.00 -0.92 -0.85 119.26 123.63 1wdk h ALA 270 Ca 0.13 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1wdk h ALA 270 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1wdk h ALA 270 CO 0.04 0.21 -0.30 -0.07 0.00 0.00 0.00 179.25 179.13 1wdk h LEU 271 N 0.27 0.77 -0.29 0.00 3.38 -0.58 -1.83 115.31 117.04 1wdk h LEU 271 Ca 0.07 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1wdk h LEU 271 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1wdk h LEU 271 CO -0.00 1.02 0.16 -0.33 0.09 0.00 0.00 178.44 179.38 1wdk h GLU 272 N 0.63 0.40 -0.97 1.13 5.08 -0.70 0.28 114.58 120.43 1wdk h GLU 272 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1wdk h GLU 272 Cb 0.82 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 1wdk h GLU 272 CO 0.07 0.34 0.61 0.28 -1.00 0.00 0.00 179.01 179.31 1wdk h VAL 273 N 0.36 1.26 0.07 3.13 2.07 -1.25 -1.50 116.25 120.39 1wdk h VAL 273 Ca 0.10 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1wdk h VAL 273 Cb 0.05 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.68 1wdk h VAL 273 CO -0.02 0.26 -0.03 -0.08 0.02 0.00 0.00 177.57 177.72 1wdk h GLU 274 N 1.32 -0.09 -0.47 1.57 4.81 -0.72 -2.75 114.58 118.25 1wdk h GLU 274 Ca 0.35 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.65 1wdk h GLU 274 Cb -0.11 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.24 1wdk h GLU 274 CO -0.07 0.13 0.16 0.00 -0.73 0.00 0.00 179.01 178.50 1wdk h ALA 275 N 0.61 0.57 -0.32 2.92 0.00 -0.09 -0.38 119.26 122.56 1wdk h ALA 275 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1wdk h ALA 275 Cb 0.26 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1wdk h ALA 275 CO 0.02 -0.23 0.18 0.00 0.00 0.00 0.00 179.25 179.21 1wdk h ALA 276 N 1.32 0.40 -0.51 0.00 0.00 -1.27 -0.63 119.26 118.57 1wdk h ALA 276 Ca 0.23 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1wdk h ALA 276 Cb 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1wdk h ALA 276 CO -0.24 -0.18 -0.03 0.78 0.00 0.00 0.00 179.25 179.58 1wdk h GLY 277 N 0.37 0.96 0.98 0.00 0.00 -1.18 -2.28 103.07 101.92 1wdk h GLY 277 Ca 0.13 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1wdk h GLY 277 CO -0.07 0.63 -0.08 -2.75 0.00 0.00 0.00 176.54 174.27 1wdk h PHE 278 N 0.81 -0.20 -0.73 5.60 3.57 -0.66 -1.73 116.94 123.61 1wdk h PHE 278 Ca 0.15 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1wdk h PHE 278 Cb 0.53 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 1wdk h PHE 278 CO 0.03 -0.12 0.41 0.00 -2.23 0.00 0.00 178.31 176.40 1wdk h ALA 279 N 0.65 1.00 -0.22 2.41 0.00 -1.00 -0.84 119.26 121.25 1wdk h ALA 279 Ca -0.02 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1wdk h ALA 279 Cb 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1wdk h ALA 279 CO 0.02 0.08 0.10 -0.22 0.00 0.00 0.00 179.25 179.23 1wdk h LYS 280 N 0.74 0.20 -0.63 0.00 3.64 -1.09 -3.02 116.57 116.41 1wdk h LYS 280 Ca 0.33 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.61 1wdk h LYS 280 Cb 0.23 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1wdk h LYS 280 CO -0.20 0.14 0.03 -0.07 -2.27 0.00 0.00 179.45 177.07 1wdk h LEU 281 N 0.21 1.06 -2.90 5.20 3.38 -0.82 -2.89 115.31 118.55 1wdk h LEU 281 Ca 0.09 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1wdk h LEU 281 Cb 0.04 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1wdk h LEU 281 CO -0.08 1.09 0.01 0.00 0.09 0.00 0.00 178.44 179.55 1wdk h ALA 282 N 1.01 1.09 -0.01 1.53 0.00 -1.04 -1.35 119.26 120.48 1wdk h ALA 282 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wdk h ALA 282 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wdk h ALA 282 CO 0.03 -0.01 -0.60 1.63 0.00 0.00 0.00 179.25 180.30 1wdk n LYS 283 N -3.20 0.89 -2.20 0.00 4.76 -1.10 -4.72 118.16 112.60 1wdk n LYS 283 Ca -0.03 -0.73 -0.35 0.00 -2.87 0.00 0.00 58.31 54.33 1wdk n LYS 283 Cb 0.08 -1.48 0.01 0.00 -1.84 0.00 0.00 35.03 31.79 1wdk n LYS 283 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1wdk s THR 284 N -2.61 3.08 0.37 -0.18 -4.23 -0.51 -4.91 115.64 106.65 1wdk s THR 284 Ca 0.16 0.66 0.13 0.00 -1.18 0.00 0.00 61.69 61.47 1wdk s THR 284 Cb 0.18 -3.26 0.10 0.00 1.34 0.00 0.00 72.50 70.86 1wdk s THR 284 CO 0.64 -0.15 1.84 -1.28 -0.54 0.00 0.00 174.62 175.13 1wdk h SER 285 N 1.11 0.00 -0.50 3.99 0.87 -1.93 -2.71 113.55 114.37 1wdk h SER 285 Ca -0.50 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.04 1wdk h SER 285 Cb 1.27 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.20 1wdk h SER 285 CO 0.56 0.35 0.24 0.00 -0.53 0.00 0.00 176.83 177.46 1wdk h ALA 286 N 1.65 0.64 0.64 6.23 0.00 -1.91 -2.53 119.26 123.98 1wdk h ALA 286 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1wdk h ALA 286 Cb 0.64 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wdk h ALA 286 CO 0.05 0.21 -0.31 1.03 0.00 0.00 0.00 179.25 180.23 1wdk h SER 287 N 0.66 -0.73 0.50 0.00 0.87 -1.71 -0.36 113.55 112.79 1wdk h SER 287 Ca 0.17 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1wdk h SER 287 Cb 0.12 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1wdk h SER 287 CO -0.02 -0.51 -0.06 -0.55 -0.53 0.00 0.00 176.83 175.16 1wdk h ASN 288 N -0.88 0.00 0.37 6.23 -0.00 -1.58 0.19 115.58 119.90 1wdk h ASN 288 Ca -0.09 0.00 -0.24 0.00 -0.00 0.00 0.00 56.30 55.97 1wdk h ASN 288 Cb 0.67 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.99 1wdk h ASN 288 CO 0.14 0.06 -1.02 0.00 -0.00 0.00 0.00 177.43 176.61 1wdk h LEU 290 N 0.21 1.00 -1.08 0.00 3.38 0.04 -1.67 115.31 117.20 1wdk h LEU 290 Ca -0.10 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 1wdk h LEU 290 Cb 1.68 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 1wdk h LEU 290 CO 0.18 1.19 -0.14 0.40 0.09 0.00 0.00 178.44 180.17 1wdk h ILE 291 N 0.81 1.23 -0.44 1.22 2.04 -0.64 -1.98 117.51 119.74 1wdk h ILE 291 Ca 0.10 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 1wdk h ILE 291 Cb 0.83 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1wdk h ILE 291 CO 0.07 0.34 0.03 1.23 0.00 0.00 0.00 178.15 179.82 1wdk h GLY 292 N 0.93 0.75 1.01 5.37 0.00 -0.54 -1.45 103.07 109.14 1wdk h GLY 292 Ca 0.08 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1wdk h GLY 292 CO 0.03 0.43 0.47 1.41 0.00 0.00 0.00 176.54 178.88 1wdk h LEU 293 N 0.66 0.91 -0.92 3.11 3.38 -0.56 0.18 115.31 122.07 1wdk h LEU 293 Ca 0.14 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1wdk h LEU 293 Cb 0.38 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1wdk h LEU 293 CO 0.01 0.70 0.61 0.15 0.09 0.00 0.00 178.44 180.00 1wdk h PHE 294 N 1.04 1.16 -0.63 1.13 3.04 -1.00 0.67 116.94 122.35 1wdk h PHE 294 Ca 0.27 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.17 1wdk h PHE 294 Cb -0.05 -0.39 -0.02 0.00 2.56 0.00 0.00 35.95 38.04 1wdk h PHE 294 CO -0.01 0.73 0.06 -0.07 -2.02 0.00 0.00 178.31 177.00 1wdk h LEU 295 N 1.25 1.03 0.02 0.59 3.38 -0.44 -1.62 115.31 119.51 1wdk h LEU 295 Ca 0.34 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1wdk h LEU 295 Cb -0.14 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.33 1wdk h LEU 295 CO -0.07 1.04 -0.01 0.78 0.09 0.00 0.00 178.44 180.27 1wdk h ASN 296 N 0.99 -0.02 -0.72 -0.43 -0.26 0.01 -1.66 115.58 113.48 1wdk h ASN 296 Ca 0.19 -0.04 0.10 0.00 -0.56 0.00 0.00 56.30 55.99 1wdk h ASN 296 Cb 0.48 0.01 -0.07 0.00 -1.06 0.00 0.00 38.32 37.67 1wdk h ASN 296 CO 0.02 0.03 0.35 -0.78 -1.06 0.00 0.00 177.43 175.99 1wdk h ASP 297 N -0.07 0.45 -0.92 5.81 -0.00 -0.66 0.78 116.42 121.81 1wdk h ASP 297 Ca -0.00 0.07 0.05 0.00 -0.00 0.00 0.00 57.03 57.14 1wdk h ASP 297 Cb 0.06 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.33 39.33 1wdk h ASP 297 CO 0.00 0.24 0.59 1.56 -0.00 0.00 0.00 179.24 181.64 1wdk h GLN 298 N 0.59 1.08 -0.45 0.28 1.08 -0.87 0.91 115.11 117.73 1wdk h GLN 298 Ca 0.36 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.47 1wdk h GLN 298 Cb 0.41 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1wdk h GLN 298 CO -0.29 0.72 0.16 0.93 -0.95 0.00 0.00 178.83 179.39 1wdk h GLU 299 N 1.11 0.69 -0.70 1.46 5.08 0.00 -2.03 114.58 120.19 1wdk h GLU 299 Ca 0.38 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1wdk h GLU 299 Cb 0.07 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1wdk h GLU 299 CO -0.14 0.65 0.33 -0.07 -1.00 0.00 0.00 179.01 178.77 1wdk h LEU 300 N 0.58 0.91 -1.27 1.33 3.38 -0.13 -2.15 115.31 117.96 1wdk h LEU 300 Ca 0.15 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1wdk h LEU 300 Cb 0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1wdk h LEU 300 CO -0.01 0.78 -0.29 0.11 0.09 0.00 0.00 178.44 179.12 1wdk h LYS 301 N 1.00 0.12 -0.13 1.13 1.57 -0.52 0.96 116.57 120.70 1wdk h LYS 301 Ca 0.24 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.81 1wdk h LYS 301 Cb 0.12 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1wdk h LYS 301 CO -0.03 0.41 -0.65 0.87 -0.57 0.00 0.00 179.45 179.48 1wdk h LYS 302 N 0.11 0.49 0.00 3.15 1.57 -0.76 -2.49 116.57 118.65 1wdk h LYS 302 Ca 0.02 -0.35 -0.11 0.00 -1.87 0.00 0.00 60.65 58.33 1wdk h LYS 302 Cb 0.58 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1wdk h LYS 302 CO 0.04 0.97 -0.54 0.87 -0.57 0.00 0.00 179.45 180.22 1wdk h LYS 303 N 0.35 0.00 -0.22 3.15 1.57 -0.96 -2.96 116.57 117.51 1wdk h LYS 303 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1wdk h LYS 303 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1wdk h LYS 303 CO 0.12 0.54 0.14 0.00 -0.57 0.00 0.00 179.45 179.68 1wdk h ALA 304 N 1.46 0.27 -0.71 3.86 0.00 -0.50 -1.37 119.26 122.27 1wdk h ALA 304 Ca -0.01 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1wdk h ALA 304 Cb 1.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1wdk h ALA 304 CO 0.07 -0.24 0.47 0.87 0.00 0.00 0.00 179.25 180.42 1wdk h LYS 305 N 0.28 0.80 -0.28 0.00 1.57 -1.29 -0.72 116.57 116.93 1wdk h LYS 305 Ca 0.08 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1wdk h LYS 305 Cb -0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1wdk h LYS 305 CO -0.02 0.53 -0.19 0.28 -0.57 0.00 0.00 179.45 179.48 1wdk h VAL 306 N 0.82 1.30 -0.41 0.50 2.07 -1.34 -2.93 116.25 116.26 1wdk h VAL 306 Ca 0.29 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.50 1wdk h VAL 306 Cb 0.12 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1wdk h VAL 306 CO -0.09 0.42 0.26 1.88 0.02 0.00 0.00 177.57 180.06 1wdk h TYR 307 N 0.35 0.48 0.00 1.57 0.99 -0.57 -2.38 116.97 117.41 1wdk h TYR 307 Ca 0.05 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.80 1wdk h TYR 307 Cb 0.73 -0.16 0.00 0.00 1.00 0.00 0.00 36.73 38.30 1wdk h TYR 307 CO 0.07 0.29 0.00 -0.44 -0.00 0.00 0.00 178.16 178.08 1wdk h ASP 308 N 0.52 0.00 0.19 3.88 3.32 -1.07 -1.11 116.42 122.16 1wdk h ASP 308 Ca 0.16 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1wdk h ASP 308 Cb -0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1wdk h ASP 308 CO -0.05 0.00 -0.16 0.11 -1.72 0.00 0.00 179.24 177.41 1wdk h LYS 309 N 0.00 0.00 0.00 3.56 1.57 -1.24 -3.27 116.57 117.19 1wdk h LYS 309 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wdk h LYS 309 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1wdk h LYS 309 CO 0.00 0.16 -0.57 0.44 -0.57 0.00 0.00 179.45 178.91 1wdk n ILE 310 N -4.23 0.00 -1.69 1.86 -5.35 -0.87 -5.05 119.36 104.03 1wdk n ILE 310 Ca -0.02 -0.18 -0.44 0.00 -0.27 0.00 0.00 62.75 61.84 1wdk n ILE 310 Cb 0.23 0.67 -0.04 0.00 -1.74 0.00 0.00 39.64 38.77 1wdk n ILE 310 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wdk n ALA 311 N -1.21 1.87 -2.63 -1.28 0.00 -0.47 -4.86 120.51 111.92 1wdk n ALA 311 Ca 0.00 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.40 1wdk n ALA 311 Cb 0.00 -2.49 -0.07 0.00 0.00 0.00 0.00 19.45 16.89 1wdk n ALA 311 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wdk s LYS 312 N 2.09 4.12 0.37 0.00 1.02 -1.26 -4.92 119.74 121.16 1wdk s LYS 312 Ca 0.81 0.51 -0.27 0.00 0.02 0.00 0.00 55.97 57.04 1wdk s LYS 312 Cb -0.58 -3.63 -0.12 0.00 -0.52 0.00 0.00 37.83 32.98 1wdk s LYS 312 CO 0.39 -0.36 1.18 -3.47 -0.92 0.00 0.00 175.35 172.16 1wdk n ASP 313 N 5.53 2.15 -4.34 2.83 -0.08 -1.26 -4.83 116.55 116.54 1wdk n ASP 313 Ca -0.02 1.14 -0.45 0.00 -1.51 0.00 0.00 54.79 53.95 1wdk n ASP 313 Cb 0.49 -1.43 -0.04 0.00 2.34 0.00 0.00 41.12 42.48 1wdk n ASP 313 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1wdk s VAL 314 N -1.15 5.06 0.06 5.18 1.01 -1.26 -4.88 120.40 124.41 1wdk s VAL 314 Ca 0.59 -1.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1wdk s VAL 314 Cb -0.57 -4.43 -0.30 0.00 0.00 0.00 0.00 36.38 31.08 1wdk s VAL 314 CO 0.60 -1.02 1.10 0.11 0.00 0.00 0.00 175.10 175.89 1wdk h LYS 315 N 8.92 0.32 -3.85 2.72 1.57 -1.95 -3.45 116.57 120.86 1wdk h LYS 315 Ca -0.25 -0.54 -0.45 0.00 -1.87 0.00 0.00 60.65 57.54 1wdk h LYS 315 Cb 1.09 0.20 -0.37 0.00 0.08 0.00 0.00 32.23 33.22 1wdk h LYS 315 CO 1.04 1.25 -0.78 -1.14 -0.57 0.00 0.00 179.45 179.26 1wdk s GLN 316 N -2.64 0.83 0.43 3.15 2.00 -1.26 -4.09 119.66 118.08 1wdk s GLN 316 Ca -0.05 0.01 0.07 0.00 -2.00 0.00 0.00 55.36 53.38 1wdk s GLN 316 Cb 0.07 -1.09 -0.04 0.00 0.80 0.00 0.00 33.01 32.74 1wdk s GLN 316 CO 0.89 -0.27 0.19 0.00 -0.50 0.00 0.00 175.29 175.60 1wdk s ALA 317 N 1.80 3.70 -0.11 1.58 0.00 -0.59 -0.28 121.76 127.87 1wdk s ALA 317 Ca 0.03 -1.92 -0.17 0.00 0.00 0.00 0.00 51.96 49.90 1wdk s ALA 317 Cb -0.13 -0.38 0.04 0.00 0.00 0.00 0.00 23.12 22.65 1wdk s ALA 317 CO -0.05 -0.19 0.44 0.00 0.00 0.00 0.00 175.76 175.96 1wdk s ALA 318 N -2.64 -1.10 -0.07 0.00 0.00 -0.83 -1.39 121.76 115.74 1wdk s ALA 318 Ca 0.38 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.37 1wdk s ALA 318 Cb 0.03 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.75 1wdk s ALA 318 CO 0.21 -0.25 -0.13 0.54 0.00 0.00 0.00 175.76 176.13 1wdk s VAL 319 N -0.39 1.22 -0.28 0.00 0.11 0.58 -0.05 120.40 121.59 1wdk s VAL 319 Ca -0.05 -0.53 -0.19 0.00 -2.93 0.00 0.00 61.98 58.27 1wdk s VAL 319 Cb -0.03 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.69 1wdk s VAL 319 CO 0.03 0.37 0.57 -0.76 -3.33 0.00 0.00 175.10 171.99 1wdk s LEU 320 N 0.60 4.10 0.00 2.54 1.43 0.47 -1.27 118.68 126.55 1wdk s LEU 320 Ca -0.14 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1wdk s LEU 320 Cb -0.16 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.32 1wdk s LEU 320 CO 0.04 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1wdk n GLY 321 N 4.37 1.06 0.00 -3.19 0.00 0.49 -0.88 105.19 107.04 1wdk n GLY 321 Ca -0.02 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1wdk n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdk n ALA 322 N 2.59 0.00 0.00 4.61 0.00 -1.25 -3.96 120.51 122.50 1wdk n ALA 322 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wdk n ALA 322 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wdk n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wdk n GLY 323 N 5.00 -1.91 0.00 0.00 0.00 -1.25 -3.61 105.19 103.42 1wdk n GLY 323 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1wdk n GLY 323 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wdk n ILE 324 N 0.00 0.00 -0.04 -0.61 5.41 -1.26 0.51 119.36 123.38 1wdk n ILE 324 Ca 0.00 1.22 -0.14 0.00 1.00 0.00 0.00 62.75 64.83 1wdk n ILE 324 Cb 0.00 -1.67 -0.11 0.00 -0.71 0.00 0.00 39.64 37.15 1wdk n ILE 324 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1wdk h MET 325 N 0.00 0.06 -0.05 0.38 2.86 -1.92 -2.63 114.93 113.64 1wdk h MET 325 Ca 0.00 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1wdk h MET 325 Cb 0.00 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 1wdk h MET 325 CO 0.00 0.81 -0.26 0.78 1.06 0.00 0.00 176.91 179.29 1wdk h GLY 326 N -0.66 -0.36 1.23 8.32 0.00 -1.60 0.26 103.07 110.26 1wdk h GLY 326 Ca -0.01 0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 1wdk h GLY 326 CO 0.02 -0.21 0.34 -1.33 0.00 0.00 0.00 176.54 175.35 1wdk h GLY 327 N -0.37 1.06 1.04 4.60 0.00 -0.06 -0.86 103.07 108.48 1wdk h GLY 327 Ca 0.08 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1wdk h GLY 327 CO -0.27 0.48 0.39 -1.33 0.00 0.00 0.00 176.54 175.81 1wdk h GLY 328 N 1.05 1.30 0.96 4.60 0.00 -0.95 0.01 103.07 110.04 1wdk h GLY 328 Ca 0.24 -0.66 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 1wdk h GLY 328 CO -0.03 0.62 -0.13 -2.22 0.00 0.00 0.00 176.54 174.78 1wdk h ILE 329 N 1.19 1.28 0.13 2.60 2.04 0.06 -1.86 117.51 122.95 1wdk h ILE 329 Ca 0.28 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1wdk h ILE 329 Cb 0.14 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1wdk h ILE 329 CO -0.03 0.40 -0.14 0.00 0.00 0.00 0.00 178.15 178.38 1wdk h ALA 330 N 0.80 -0.27 -0.18 1.87 0.00 -0.82 -0.13 119.26 120.53 1wdk h ALA 330 Ca 0.08 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1wdk h ALA 330 Cb 0.66 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1wdk h ALA 330 CO 0.04 -0.67 -0.34 -0.92 0.00 0.00 0.00 179.25 177.36 1wdk h TYR 331 N -0.30 -0.95 0.05 0.00 3.20 -0.93 -0.34 116.97 117.69 1wdk h TYR 331 Ca 0.01 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1wdk h TYR 331 Cb 0.29 0.45 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 1wdk h TYR 331 CO -0.13 -0.41 -0.25 1.96 -1.64 0.00 0.00 178.16 177.68 1wdk h GLN 332 N -0.39 -0.41 -0.16 1.82 1.08 -1.06 0.37 115.11 116.37 1wdk h GLN 332 Ca 0.11 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.38 1wdk h GLN 332 Cb 0.56 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 28.02 1wdk h GLN 332 CO -0.40 -0.27 -0.22 1.03 -0.95 0.00 0.00 178.83 178.02 1wdk h SER 333 N -0.42 -0.70 -0.46 1.46 0.87 -0.66 -1.66 113.55 111.98 1wdk h SER 333 Ca 0.05 0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1wdk h SER 333 Cb 0.48 0.32 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 1wdk h SER 333 CO -0.19 -0.27 0.12 0.00 -0.53 0.00 0.00 176.83 175.96 1wdk h ALA 334 N 0.73 1.25 0.00 6.23 0.00 -0.80 -2.15 119.26 124.51 1wdk h ALA 334 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wdk h ALA 334 Cb 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wdk h ALA 334 CO -0.31 0.52 0.00 0.77 0.00 0.00 0.00 179.25 180.23 1wdk h SER 335 N 0.76 0.00 -0.31 0.00 0.02 0.62 -3.02 113.55 111.63 1wdk h SER 335 Ca 0.17 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 1wdk h SER 335 Cb 0.29 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 1wdk h SER 335 CO -0.00 0.00 -0.01 0.29 -1.14 0.00 0.00 176.83 175.97 1wdk n LYS 336 N -2.97 2.40 -2.32 3.45 4.76 -0.75 -4.97 118.16 117.75 1wdk n LYS 336 Ca -0.01 -2.97 -0.00 0.00 -2.87 0.00 0.00 58.31 52.46 1wdk n LYS 336 Cb 0.19 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 1wdk n LYS 336 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wdk n GLY 337 N -0.82 0.74 2.65 0.72 0.00 -1.14 -4.85 105.19 102.49 1wdk n GLY 337 Ca 0.27 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 1wdk n GLY 337 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wdk s THR 338 N -2.64 -0.18 0.34 2.61 2.01 -0.87 -5.04 115.64 111.88 1wdk s THR 338 Ca 0.00 -0.28 -0.28 0.00 0.31 0.00 0.00 61.69 61.45 1wdk s THR 338 Cb -0.00 -0.70 -0.12 0.00 0.01 0.00 0.00 72.50 71.68 1wdk s THR 338 CO 0.00 -0.35 1.20 -2.65 -0.69 0.00 0.00 174.62 172.13 1wdk n PRO 339 N 5.29 1.87 -3.81 4.92 -0.02 -1.26 -3.14 135.00 138.84 1wdk n PRO 339 Ca -0.06 0.66 -0.12 0.00 -2.02 0.00 0.00 63.50 61.95 1wdk n PRO 339 Cb 0.48 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.64 1wdk n PRO 339 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1wdk s ILE 340 N -1.11 0.00 -0.09 4.25 2.07 -0.57 -1.53 121.20 124.22 1wdk s ILE 340 Ca 0.57 -0.03 -0.19 0.00 -1.41 0.00 0.00 60.65 59.59 1wdk s ILE 340 Cb -0.60 -0.27 -0.04 0.00 0.13 0.00 0.00 42.46 41.68 1wdk s ILE 340 CO 0.61 -0.02 0.51 -0.76 -1.91 0.00 0.00 174.94 173.38 1wdk s LEU 341 N 0.03 4.31 -0.47 8.50 1.43 -0.48 -1.52 118.68 130.47 1wdk s LEU 341 Ca -0.01 0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 1wdk s LEU 341 Cb -0.02 -2.76 0.11 0.00 0.03 0.00 0.00 46.19 43.55 1wdk s LEU 341 CO 0.00 0.02 0.36 -0.32 0.23 0.00 0.00 176.35 176.64 1wdk s MET 342 N 0.46 2.62 -0.04 1.70 1.75 -0.12 -0.31 119.30 125.37 1wdk s MET 342 Ca 0.28 -1.66 -0.07 0.00 -1.25 0.00 0.00 55.69 52.98 1wdk s MET 342 Cb -0.16 -3.97 -0.05 0.00 2.84 0.00 0.00 34.83 33.50 1wdk s MET 342 CO 0.12 -1.16 0.23 0.21 -0.65 0.00 0.00 175.02 173.78 1wdk s LYS 343 N 1.43 3.56 0.05 4.11 2.36 -0.40 -1.44 119.74 129.42 1wdk s LYS 343 Ca 0.05 -0.06 -0.01 0.00 -2.55 0.00 0.00 55.97 53.40 1wdk s LYS 343 Cb -0.26 -3.14 0.00 0.00 -1.05 0.00 0.00 37.83 33.39 1wdk s LYS 343 CO 0.01 0.70 0.08 -3.47 1.55 0.00 0.00 175.35 174.22 1wdk n ASP 344 N 1.48 -0.23 -0.00 1.43 -0.08 -1.06 0.19 116.55 118.27 1wdk n ASP 344 Ca -0.15 -1.28 0.04 0.00 -1.51 0.00 0.00 54.79 51.89 1wdk n ASP 344 Cb 0.53 0.42 -0.05 0.00 2.34 0.00 0.00 41.12 44.36 1wdk n ASP 344 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1wdk n ILE 345 N -0.09 0.00 -3.80 5.18 -5.35 -1.26 -4.54 119.36 109.51 1wdk n ILE 345 Ca -0.00 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.10 1wdk n ILE 345 Cb 0.09 0.69 -0.09 0.00 -1.74 0.00 0.00 39.64 38.59 1wdk n ILE 345 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1wdk s ASN 346 N -2.30 -0.13 0.33 7.28 2.20 -1.26 -5.05 114.94 116.01 1wdk s ASN 346 Ca 0.00 0.01 0.06 0.00 -0.94 0.00 0.00 52.86 52.00 1wdk s ASN 346 Cb 0.06 0.29 0.72 0.00 -2.00 0.00 0.00 41.25 40.32 1wdk s ASN 346 CO 0.34 -0.41 1.85 -0.08 -2.94 0.00 0.00 177.10 175.87 1wdk h GLU 347 N 4.09 0.78 -0.93 3.55 4.57 -1.98 -0.86 114.58 123.80 1wdk h GLU 347 Ca -0.30 -0.05 0.09 0.00 -1.18 0.00 0.00 59.36 57.92 1wdk h GLU 347 Cb 1.18 -0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 29.53 1wdk h GLU 347 CO 0.40 0.52 0.60 1.25 -1.18 0.00 0.00 179.01 180.60 1wdk h HIS 348 N 0.81 1.04 -0.57 0.92 2.76 -1.99 -0.08 115.15 118.04 1wdk h HIS 348 Ca 0.47 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.64 1wdk h HIS 348 Cb 0.64 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 1wdk h HIS 348 CO -0.00 0.49 0.24 0.78 -1.30 0.00 0.00 177.93 178.14 1wdk h GLY 349 N 0.98 0.90 2.00 5.26 0.00 -1.58 -2.34 103.07 108.28 1wdk h GLY 349 Ca 0.43 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1wdk h GLY 349 CO -0.18 0.45 -0.37 -2.22 0.00 0.00 0.00 176.54 174.22 1wdk h ILE 350 N 0.77 1.08 0.65 2.60 2.04 -1.19 -2.83 117.51 120.62 1wdk h ILE 350 Ca 0.19 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.68 1wdk h ILE 350 Cb 0.18 1.76 0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1wdk h ILE 350 CO -0.02 0.36 -0.32 -0.33 0.00 0.00 0.00 178.15 177.84 1wdk h GLU 351 N 0.00 -0.85 -0.46 2.37 4.39 -0.52 -0.49 114.58 119.03 1wdk h GLU 351 Ca -0.00 0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.83 1wdk h GLU 351 Cb 0.73 0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 29.51 1wdk h GLU 351 CO 0.05 -0.56 0.10 1.96 -1.16 0.00 0.00 179.01 179.39 1wdk h GLN 352 N -0.88 0.23 -0.22 2.33 1.08 -1.43 0.45 115.11 116.67 1wdk h GLN 352 Ca -0.09 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1wdk h GLN 352 Cb 0.68 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 1wdk h GLN 352 CO 0.14 0.15 0.06 0.78 -0.95 0.00 0.00 178.83 179.01 1wdk h GLY 353 N 0.24 0.26 1.60 3.46 0.00 -1.34 -1.27 103.07 106.02 1wdk h GLY 353 Ca 0.22 -0.03 -0.14 0.00 0.00 0.00 0.00 47.33 47.38 1wdk h GLY 353 CO -0.29 0.01 -0.51 1.41 0.00 0.00 0.00 176.54 177.17 1wdk h LEU 354 N 0.16 0.47 0.15 3.11 3.38 -0.66 -2.52 115.31 119.39 1wdk h LEU 354 Ca 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1wdk h LEU 354 Cb 0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1wdk h LEU 354 CO -0.12 0.89 -0.10 0.00 0.09 0.00 0.00 178.44 179.21 1wdk h ALA 355 N 1.12 -0.24 -0.50 1.53 0.00 0.26 -1.64 119.26 119.79 1wdk h ALA 355 Ca 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1wdk h ALA 355 Cb 1.01 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1wdk h ALA 355 CO 0.09 -0.64 0.13 0.93 0.00 0.00 0.00 179.25 179.76 1wdk h GLU 356 N -0.25 0.80 -0.47 0.00 4.39 -1.25 -1.12 114.58 116.69 1wdk h GLU 356 Ca -0.01 -0.19 0.06 0.00 0.34 0.00 0.00 59.36 59.56 1wdk h GLU 356 Cb 0.22 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1wdk h GLU 356 CO 0.00 0.77 0.31 0.00 -1.16 0.00 0.00 179.01 178.94 1wdk h ALA 357 N 1.00 1.93 0.07 3.43 0.00 -1.33 -2.22 119.26 122.14 1wdk h ALA 357 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wdk h ALA 357 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wdk h ALA 357 CO 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 179.25 179.20 1wdk h ALA 358 N 1.75 -0.09 -0.80 0.00 0.00 -0.68 -2.64 119.26 116.80 1wdk h ALA 358 Ca 0.20 -0.27 0.16 0.00 0.00 0.00 0.00 54.91 55.00 1wdk h ALA 358 Cb 0.30 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 1wdk h ALA 358 CO -0.05 -0.25 0.34 0.87 0.00 0.00 0.00 179.25 180.16 1wdk h LYS 359 N -0.69 0.44 0.28 0.00 1.57 -0.77 0.50 116.57 117.90 1wdk h LYS 359 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1wdk h LYS 359 Cb 0.57 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1wdk h LYS 359 CO 0.01 0.29 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.98 1wdk h LEU 360 N 0.46 -0.32 -0.45 2.94 3.38 -1.47 0.26 115.31 120.10 1wdk h LEU 360 Ca 0.46 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.30 1wdk h LEU 360 Cb 0.73 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1wdk h LEU 360 CO -0.43 -0.00 0.23 -0.07 0.09 0.00 0.00 178.44 178.25 1wdk h LEU 361 N -0.66 0.33 -0.69 1.67 3.38 -1.03 -1.52 115.31 116.80 1wdk h LEU 361 Ca -0.04 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1wdk h LEU 361 Cb 0.46 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1wdk h LEU 361 CO 0.06 0.24 0.23 0.58 0.09 0.00 0.00 178.44 179.64 1wdk h VAL 362 N 0.45 1.25 -0.60 1.22 2.07 -0.02 -2.42 116.25 118.21 1wdk h VAL 362 Ca 0.19 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.93 1wdk h VAL 362 Cb 0.09 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 1wdk h VAL 362 CO -0.13 0.33 0.28 1.23 0.02 0.00 0.00 177.57 179.30 1wdk h GLY 363 N 1.00 0.86 1.16 2.17 0.00 0.25 0.24 103.07 108.75 1wdk h GLY 363 Ca 0.22 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 1wdk h GLY 363 CO -0.01 0.06 -0.09 3.21 0.00 0.00 0.00 176.54 179.72 1wdk h ARG 364 N 0.51 0.99 -0.24 4.80 3.08 -1.06 -2.82 114.38 119.63 1wdk h ARG 364 Ca 0.28 -0.35 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 1wdk h ARG 364 Cb 0.26 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1wdk h ARG 364 CO -0.23 1.03 -0.40 0.28 -1.07 0.00 0.00 179.97 179.58 1wdk h VAL 365 N 0.89 1.30 0.00 2.04 2.07 -0.95 -0.05 116.25 121.55 1wdk h VAL 365 Ca 0.14 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1wdk h VAL 365 Cb 0.64 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1wdk h VAL 365 CO 0.04 0.49 0.00 0.47 0.02 0.00 0.00 177.57 178.60 1wdk n ASP 366 N -4.03 0.00 -1.24 0.57 9.92 0.81 -2.07 116.55 120.51 1wdk n ASP 366 Ca -0.02 -1.14 0.02 0.00 -0.53 0.00 0.00 54.79 53.13 1wdk n ASP 366 Cb 0.51 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.00 1wdk n ASP 366 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1wdk n LYS 367 N -0.56 0.00 -1.02 -1.24 5.02 -0.89 -5.00 118.16 114.47 1wdk n LYS 367 Ca 0.02 -1.65 -0.07 0.00 -2.02 0.00 0.00 58.31 54.59 1wdk n LYS 367 Cb 0.01 -0.03 -0.03 0.00 -0.02 0.00 0.00 35.03 34.95 1wdk n LYS 367 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wdk n GLY 368 N 0.34 0.65 0.07 0.72 0.00 -0.88 -4.74 105.19 101.36 1wdk n GLY 368 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1wdk n GLY 368 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wdk n ARG 369 N -0.93 0.25 -3.81 1.61 1.74 -0.08 -4.90 116.66 110.54 1wdk n ARG 369 Ca -0.07 -0.15 -0.12 0.00 -0.77 0.00 0.00 57.85 56.74 1wdk n ARG 369 Cb 0.31 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.14 1wdk n ARG 369 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1wdk s MET 370 N -2.85 0.26 0.26 5.56 0.00 -1.07 -4.92 119.30 116.54 1wdk s MET 370 Ca 0.15 0.19 -0.30 0.00 0.00 0.00 0.00 55.69 55.73 1wdk s MET 370 Cb 0.18 0.12 -0.09 0.00 0.00 0.00 0.00 34.83 35.04 1wdk s MET 370 CO 0.65 -0.04 1.05 0.99 0.00 0.00 0.00 175.02 177.67 1wdk s THR 371 N -0.08 3.69 0.44 10.11 2.01 -1.26 -4.24 115.64 126.32 1wdk s THR 371 Ca -0.02 1.68 0.12 0.00 0.31 0.00 0.00 61.69 63.78 1wdk s THR 371 Cb -0.02 -4.07 0.30 0.00 0.01 0.00 0.00 72.50 68.72 1wdk s THR 371 CO 0.00 0.39 2.03 -0.65 -0.69 0.00 0.00 174.62 175.71 1wdk h PRO 372 N 4.03 0.40 -0.27 4.92 0.11 -1.99 0.94 132.00 140.14 1wdk h PRO 372 Ca -0.46 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1wdk h PRO 372 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1wdk h PRO 372 CO 0.68 0.26 -0.30 0.00 -0.21 0.00 0.00 178.00 178.43 1wdk h ALA 373 N 1.75 0.97 -0.37 -0.75 0.00 -2.00 -2.60 119.26 116.26 1wdk h ALA 373 Ca 0.19 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 1wdk h ALA 373 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1wdk h ALA 373 CO -0.05 0.60 -0.40 1.57 0.00 0.00 0.00 179.25 180.98 1wdk h LYS 374 N 0.49 0.91 -0.17 0.00 2.10 -1.26 -2.53 116.57 116.11 1wdk h LYS 374 Ca 0.06 -0.48 -0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1wdk h LYS 374 Cb 0.76 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.11 1wdk h LYS 374 CO 0.06 1.13 0.10 1.98 -2.00 0.00 0.00 179.45 180.73 1wdk h MET 375 N 0.74 0.22 -0.17 0.07 -1.53 -0.99 -1.32 114.93 111.95 1wdk h MET 375 Ca 0.06 -0.01 -0.04 0.00 -3.44 0.00 0.00 59.70 56.26 1wdk h MET 375 Cb 0.99 -0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 31.98 1wdk h MET 375 CO 0.10 0.15 -0.07 0.00 0.14 0.00 0.00 176.91 177.23 1wdk h ALA 376 N 1.89 0.24 -0.59 0.39 0.00 -1.10 -2.26 119.26 117.82 1wdk h ALA 376 Ca 0.06 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1wdk h ALA 376 Cb -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1wdk h ALA 376 CO -0.01 0.03 0.32 0.93 0.00 0.00 0.00 179.25 180.52 1wdk h GLU 377 N 0.03 0.59 0.68 0.00 5.08 -0.88 -0.95 114.58 119.13 1wdk h GLU 377 Ca 0.04 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1wdk h GLU 377 Cb 0.53 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1wdk h GLU 377 CO 0.02 0.39 -0.33 0.28 -1.00 0.00 0.00 179.01 178.37 1wdk h VAL 378 N 0.60 0.30 -0.87 3.13 2.07 -1.28 -2.30 116.25 117.90 1wdk h VAL 378 Ca 0.26 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.82 1wdk h VAL 378 Cb 0.16 0.33 -0.09 0.00 -1.52 0.00 0.00 31.29 30.17 1wdk h VAL 378 CO -0.17 0.01 0.48 -0.07 0.02 0.00 0.00 177.57 177.84 1wdk h LEU 379 N -0.99 0.62 -1.49 2.57 3.38 -1.22 0.25 115.31 118.44 1wdk h LEU 379 Ca -0.09 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wdk h LEU 379 Cb 0.72 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1wdk h LEU 379 CO 0.15 0.29 0.00 0.78 0.09 0.00 0.00 178.44 179.76 1wdk h ASN 380 N 0.71 0.00 1.05 -0.43 2.35 -1.08 -2.05 115.58 116.13 1wdk h ASN 380 Ca 0.46 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.06 1wdk h ASN 380 Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1wdk h ASN 380 CO -0.32 0.00 -0.69 1.23 -1.65 0.00 0.00 177.43 175.99 1wdk h GLY 381 N 1.52 0.00 -5.99 2.83 0.00 0.09 -3.43 103.07 98.10 1wdk h GLY 381 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1wdk h GLY 381 CO 0.00 0.00 0.11 -0.42 0.00 0.00 0.00 176.54 176.23 1wdk s ILE 382 N -3.08 5.02 -0.31 2.60 1.01 -0.77 -1.51 121.20 124.16 1wdk s ILE 382 Ca 0.01 1.18 0.03 0.00 0.00 0.00 0.00 60.65 61.87 1wdk s ILE 382 Cb 0.10 -3.94 0.09 0.00 0.01 0.00 0.00 42.46 38.72 1wdk s ILE 382 CO 0.77 0.11 0.02 -0.13 0.00 0.00 0.00 174.94 175.71 1wdk s ARG 383 N 1.89 1.55 0.59 2.79 0.52 -0.57 -4.96 118.95 120.76 1wdk s ARG 383 Ca 0.29 -1.61 -0.19 0.00 -0.52 0.00 0.00 55.73 53.70 1wdk s ARG 383 Cb -0.16 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 1wdk s ARG 383 CO 0.10 -0.84 1.17 -2.14 0.02 0.00 0.00 175.30 173.61 1wdk s PRO 384 N 1.06 3.06 0.01 3.54 0.02 -1.26 -0.94 135.00 140.49 1wdk s PRO 384 Ca 0.06 1.72 -0.29 0.00 0.02 0.00 0.00 61.00 62.50 1wdk s PRO 384 Cb -0.19 -1.95 0.10 0.00 0.02 0.00 0.00 34.50 32.48 1wdk s PRO 384 CO -0.09 -1.11 1.01 -0.08 -0.33 0.00 0.00 177.00 176.40 1wdk s THR 385 N -1.72 0.00 -0.03 0.99 -1.32 -0.52 -4.84 115.64 108.20 1wdk s THR 385 Ca 0.75 -0.23 0.05 0.00 -1.21 0.00 0.00 61.69 61.05 1wdk s THR 385 Cb -0.27 -1.43 0.07 0.00 -1.51 0.00 0.00 72.50 69.36 1wdk s THR 385 CO 0.32 0.00 0.93 0.18 -2.21 0.00 0.00 174.62 173.84 1wdk n LEU 386 N -0.32 0.87 -4.26 9.08 4.77 -1.26 -2.57 117.00 123.31 1wdk n LEU 386 Ca -0.06 -1.44 -0.17 0.00 -0.03 0.00 0.00 56.01 54.30 1wdk n LEU 386 Cb 0.61 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 1wdk n LEU 386 CO 0.11 0.35 -0.15 -0.94 -1.33 0.00 0.00 177.39 175.43 1wdk s SER 387 N -1.25 1.23 -0.13 -1.43 1.04 -1.26 -4.90 113.70 107.00 1wdk s SER 387 Ca 0.08 -1.64 0.16 0.00 0.48 0.00 0.00 55.95 55.03 1wdk s SER 387 Cb 0.07 0.50 0.60 0.00 0.10 0.00 0.00 66.02 67.29 1wdk s SER 387 CO 0.01 -0.99 1.52 -1.22 0.98 0.00 0.00 173.24 173.54 1wdk n TYR 388 N -0.52 1.22 -0.05 5.02 4.02 -1.26 -4.67 117.16 120.92 1wdk n TYR 388 Ca 0.05 -0.68 0.21 0.00 -0.01 0.00 0.00 57.90 57.47 1wdk n TYR 388 Cb 0.64 -0.26 0.67 0.00 -0.02 0.00 0.00 39.34 40.37 1wdk n TYR 388 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1wdk h GLY 389 N 3.03 0.10 -1.70 2.72 0.00 -1.96 -2.27 103.07 102.99 1wdk h GLY 389 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1wdk h GLY 389 CO 0.22 0.01 0.00 1.22 0.00 0.00 0.00 176.54 177.99 1wdk n ASP 390 N -4.38 2.96 0.02 0.19 8.00 -1.26 -4.49 116.55 117.59 1wdk n ASP 390 Ca 0.12 -1.86 0.09 0.00 0.71 0.00 0.00 54.79 53.84 1wdk n ASP 390 Cb 0.65 -0.18 0.39 0.00 -0.02 0.00 0.00 41.12 41.96 1wdk n ASP 390 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wdk n PHE 391 N 1.03 0.16 -0.37 1.24 3.01 -0.86 -4.00 117.46 117.68 1wdk n PHE 391 Ca 0.14 0.06 0.28 0.00 1.01 0.00 0.00 57.45 58.94 1wdk n PHE 391 Cb 0.48 -0.59 0.56 0.00 -0.01 0.00 0.00 39.48 39.92 1wdk n PHE 391 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1wdk h GLY 392 N 2.97 1.34 -1.04 1.37 0.00 -1.76 -1.90 103.07 104.05 1wdk h GLY 392 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1wdk h GLY 392 CO 0.00 -0.28 0.00 1.16 0.00 0.00 0.00 176.54 177.42 1wdk n ASN 393 N -4.70 3.32 -4.74 0.19 2.04 -1.26 -4.19 115.26 105.92 1wdk n ASN 393 Ca 0.31 -2.98 -0.41 0.00 -0.44 0.00 0.00 54.58 51.05 1wdk n ASN 393 Cb 1.10 -0.49 -0.03 0.00 -2.53 0.00 0.00 39.78 37.84 1wdk n ASN 393 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1wdk s VAL 394 N -2.74 3.50 -0.06 3.53 1.01 -0.71 -4.66 120.40 120.28 1wdk s VAL 394 Ca 0.37 1.25 0.11 0.00 0.00 0.00 0.00 61.98 63.71 1wdk s VAL 394 Cb 0.31 -3.80 -0.23 0.00 0.00 0.00 0.00 36.38 32.65 1wdk s VAL 394 CO 0.07 0.19 0.61 0.47 0.00 0.00 0.00 175.10 176.45 1wdk n ASP 395 N 2.60 0.98 -3.71 3.32 8.00 0.61 -4.59 116.55 123.76 1wdk n ASP 395 Ca 0.05 0.38 -0.11 0.00 0.71 0.00 0.00 54.79 55.82 1wdk n ASP 395 Cb 0.44 -0.12 -0.12 0.00 -0.02 0.00 0.00 41.12 41.31 1wdk n ASP 395 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1wdk s LEU 396 N -6.17 0.12 -0.15 0.64 0.20 -1.23 -1.54 118.68 110.55 1wdk s LEU 396 Ca -0.07 0.71 -0.01 0.00 0.69 0.00 0.00 54.13 55.46 1wdk s LEU 396 Cb 0.08 1.04 -0.01 0.00 -0.43 0.00 0.00 46.19 46.86 1wdk s LEU 396 CO 0.82 -0.18 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.90 1wdk s VAL 397 N 1.40 3.14 -0.27 1.68 1.01 -0.06 -1.95 120.40 125.35 1wdk s VAL 397 Ca -0.09 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 1wdk s VAL 397 Cb -0.10 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1wdk s VAL 397 CO -0.11 0.51 0.09 -0.69 0.00 0.00 0.00 175.10 174.90 1wdk s VAL 398 N 0.57 4.38 -0.24 2.92 1.01 0.93 -0.52 120.40 129.46 1wdk s VAL 398 Ca -0.07 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 1wdk s VAL 398 Cb -0.15 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1wdk s VAL 398 CO 0.03 0.26 0.69 -0.70 0.00 0.00 0.00 175.10 175.38 1wdk s GLU 399 N 1.61 4.16 -0.39 2.72 -6.30 0.35 -0.40 118.70 120.46 1wdk s GLU 399 Ca 0.06 0.68 0.12 0.00 -2.50 0.00 0.00 54.97 53.33 1wdk s GLU 399 Cb -0.16 -3.63 0.42 0.00 0.00 0.00 0.00 34.13 30.76 1wdk s GLU 399 CO 0.04 -0.40 0.94 0.00 0.02 0.00 0.00 175.26 175.86 1wdk n ALA 400 N 5.63 3.65 -1.99 6.30 0.00 -0.06 -0.83 120.51 133.21 1wdk n ALA 400 Ca 0.01 -3.63 -0.22 0.00 0.00 0.00 0.00 53.44 49.60 1wdk n ALA 400 Cb 0.49 -0.82 0.07 0.00 0.00 0.00 0.00 19.45 19.18 1wdk n ALA 400 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wdk s VAL 401 N -3.69 2.41 0.50 0.00 1.01 -1.23 -4.52 120.40 114.87 1wdk s VAL 401 Ca 0.37 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 1wdk s VAL 401 Cb 0.40 -2.72 -0.13 0.00 0.00 0.00 0.00 36.38 33.94 1wdk s VAL 401 CO -0.06 0.00 0.21 0.52 0.00 0.00 0.00 175.10 175.78 1wdk n VAL 402 N -2.50 1.07 -2.00 2.92 0.31 -1.26 -4.77 118.33 112.11 1wdk n VAL 402 Ca 0.12 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.56 1wdk n VAL 402 Cb 0.60 -0.30 -0.03 0.00 -0.91 0.00 0.00 33.84 33.21 1wdk n VAL 402 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wdk n GLU 403 N 0.85 2.40 -3.56 5.55 -0.58 -1.26 -4.68 120.64 119.35 1wdk n GLU 403 Ca 0.10 -2.66 -0.17 0.00 -0.42 0.00 0.00 57.16 54.01 1wdk n GLU 403 Cb 0.45 -3.40 -0.14 0.00 -0.57 0.00 0.00 31.44 27.78 1wdk n GLU 403 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1wdk s ASN 404 N 4.71 1.05 0.23 1.62 3.84 -1.26 -5.04 114.94 120.09 1wdk s ASN 404 Ca 0.57 0.05 -0.09 0.00 0.21 0.00 0.00 52.86 53.60 1wdk s ASN 404 Cb 0.07 0.42 0.37 0.00 -0.55 0.00 0.00 41.25 41.56 1wdk s ASN 404 CO 0.06 -0.29 1.65 -0.65 -2.79 0.00 0.00 177.10 175.08 1wdk h PRO 405 N 8.32 0.11 0.50 0.43 0.11 -1.99 -0.08 132.00 139.39 1wdk h PRO 405 Ca -0.16 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 1wdk h PRO 405 Cb 1.14 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1wdk h PRO 405 CO 0.22 0.07 -0.49 0.87 -0.21 0.00 0.00 178.00 178.47 1wdk h LYS 406 N 0.11 -0.95 -0.37 1.05 6.56 -1.97 -0.07 116.57 120.93 1wdk h LYS 406 Ca 0.37 0.06 0.08 0.00 -1.06 0.00 0.00 60.65 60.10 1wdk h LYS 406 Cb 0.63 0.22 -0.08 0.00 -0.57 0.00 0.00 32.23 32.43 1wdk h LYS 406 CO -0.60 -0.63 -0.15 0.28 -2.06 0.00 0.00 179.45 176.29 1wdk h VAL 407 N -0.98 0.52 -0.53 0.50 2.07 -1.71 -1.84 116.25 114.27 1wdk h VAL 407 Ca -0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1wdk h VAL 407 Cb 0.85 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1wdk h VAL 407 CO -0.06 0.00 0.33 0.11 0.02 0.00 0.00 177.57 177.98 1wdk h LYS 408 N -0.08 0.71 -0.27 1.57 1.57 -0.88 -1.17 116.57 118.02 1wdk h LYS 408 Ca 0.18 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1wdk h LYS 408 Cb 0.35 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1wdk h LYS 408 CO -0.42 0.50 0.00 1.96 -0.57 0.00 0.00 179.45 180.92 1wdk h GLN 409 N 0.72 0.41 0.15 3.15 4.20 -0.62 0.65 115.11 123.76 1wdk h GLN 409 Ca 0.19 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1wdk h GLN 409 Cb -0.04 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1wdk h GLN 409 CO -0.04 0.44 -0.07 0.00 -0.67 0.00 0.00 178.83 178.49 1wdk h ALA 410 N 1.61 -0.20 -0.14 3.87 0.00 -0.90 -2.56 119.26 120.94 1wdk h ALA 410 Ca 0.09 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1wdk h ALA 410 Cb 0.26 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1wdk h ALA 410 CO 0.01 -0.33 0.06 0.28 0.00 0.00 0.00 179.25 179.27 1wdk h VAL 411 N -0.76 0.99 -0.53 0.00 2.07 -1.13 -0.86 116.25 116.04 1wdk h VAL 411 Ca -0.02 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1wdk h VAL 411 Cb 0.53 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1wdk h VAL 411 CO 0.03 0.03 0.25 -0.07 0.02 0.00 0.00 177.57 177.82 1wdk h LEU 412 N 0.14 0.32 -1.10 2.57 3.38 -0.97 -0.22 115.31 119.42 1wdk h LEU 412 Ca 0.06 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1wdk h LEU 412 Cb 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1wdk h LEU 412 CO -0.04 0.22 0.07 0.00 0.09 0.00 0.00 178.44 178.78 1wdk h ALA 413 N 1.31 1.27 0.29 1.53 0.00 -1.18 -2.42 119.26 120.07 1wdk h ALA 413 Ca 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wdk h ALA 413 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wdk h ALA 413 CO -0.20 0.50 -0.14 1.49 0.00 0.00 0.00 179.25 180.90 1wdk h GLU 414 N 0.68 -0.38 -0.32 0.00 4.81 -0.20 -3.18 114.58 115.99 1wdk h GLU 414 Ca 0.15 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1wdk h GLU 414 Cb 0.31 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1wdk h GLU 414 CO 0.00 -0.06 0.22 0.28 -0.73 0.00 0.00 179.01 178.72 1wdk h VAL 415 N -0.73 1.05 -0.39 0.32 2.07 -1.04 -1.84 116.25 115.68 1wdk h VAL 415 Ca -0.04 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.46 1wdk h VAL 415 Cb 0.49 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1wdk h VAL 415 CO 0.07 0.07 0.30 -0.08 0.02 0.00 0.00 177.57 177.95 1wdk h GLU 416 N 0.38 0.00 -0.50 1.57 4.81 -1.41 0.22 114.58 119.66 1wdk h GLU 416 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1wdk h GLU 416 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1wdk h GLU 416 CO -0.03 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.34 1wdk n ASN 417 N -4.28 2.39 0.00 1.04 3.02 -0.69 -3.71 115.26 113.03 1wdk n ASN 417 Ca 0.07 -2.14 0.00 0.00 -0.03 0.00 0.00 54.58 52.47 1wdk n ASN 417 Cb 0.49 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1wdk n ASN 417 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1wdk n HIS 418 N 0.49 0.00 -4.55 3.10 8.25 0.75 -5.07 115.22 118.19 1wdk n HIS 418 Ca 0.13 -0.04 -0.26 0.00 -0.26 0.00 0.00 57.72 57.29 1wdk n HIS 418 Cb 0.44 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.44 1wdk n HIS 418 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1wdk s VAL 419 N -0.08 1.85 0.69 1.59 -7.23 -1.09 -3.53 120.40 112.61 1wdk s VAL 419 Ca 0.00 -2.05 -0.16 0.00 -1.81 0.00 0.00 61.98 57.96 1wdk s VAL 419 Cb 0.00 -2.83 0.02 0.00 0.56 0.00 0.00 36.38 34.12 1wdk s VAL 419 CO 0.00 -0.07 1.23 -0.13 -0.31 0.00 0.00 175.10 175.82 1wdk s ARG 420 N -3.73 2.34 0.00 4.82 0.52 -1.26 -4.86 118.95 116.78 1wdk s ARG 420 Ca 0.34 1.84 0.21 0.00 -0.52 0.00 0.00 55.73 57.60 1wdk s ARG 420 Cb 0.08 -1.85 1.24 0.00 0.52 0.00 0.00 34.95 34.94 1wdk s ARG 420 CO 0.17 -1.70 1.66 -0.85 0.02 0.00 0.00 175.30 174.60 1wdk n GLU 421 N -2.38 0.61 -0.16 3.54 0.28 -1.26 -1.82 120.64 119.44 1wdk n GLU 421 Ca 0.14 0.01 0.06 0.00 -0.16 0.00 0.00 57.16 57.21 1wdk n GLU 421 Cb 0.50 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 32.01 1wdk n GLU 421 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1wdk n ASP 422 N -1.04 2.86 -4.76 -1.84 5.75 -1.26 -4.99 116.55 111.26 1wdk n ASP 422 Ca 0.15 -1.97 -0.39 0.00 -0.01 0.00 0.00 54.79 52.58 1wdk n ASP 422 Cb 0.09 -0.22 -0.05 0.00 -1.03 0.00 0.00 41.12 39.91 1wdk n ASP 422 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wdk s ALA 423 N -0.99 3.29 0.06 2.12 0.00 -0.76 -5.03 121.76 120.45 1wdk s ALA 423 Ca 0.22 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 52.65 1wdk s ALA 423 Cb 0.12 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 1wdk s ALA 423 CO 0.15 0.07 0.60 0.42 0.00 0.00 0.00 175.76 177.01 1wdk s ILE 424 N -1.34 4.76 -0.05 0.00 1.09 -0.59 -4.88 121.20 120.19 1wdk s ILE 424 Ca 0.46 1.28 0.05 0.00 -1.10 0.00 0.00 60.65 61.34 1wdk s ILE 424 Cb -0.25 -3.94 -0.02 0.00 -1.06 0.00 0.00 42.46 37.19 1wdk s ILE 424 CO 0.32 0.51 -0.19 -0.76 -0.10 0.00 0.00 174.94 174.71 1wdk s LEU 425 N -0.80 2.43 0.01 2.97 1.43 -0.06 -0.88 118.68 123.77 1wdk s LEU 425 Ca 0.30 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1wdk s LEU 425 Cb -0.19 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1wdk s LEU 425 CO 0.19 0.30 0.01 0.00 0.23 0.00 0.00 176.35 177.08 1wdk s ALA 426 N -0.47 0.01 -0.05 4.21 0.00 0.32 -1.33 121.76 124.46 1wdk s ALA 426 Ca 0.06 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1wdk s ALA 426 Cb -0.12 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1wdk s ALA 426 CO 0.01 -0.09 -0.07 0.45 0.00 0.00 0.00 175.76 176.06 1wdk s SER 427 N -0.78 4.61 0.00 0.00 0.15 -0.99 0.13 113.70 116.82 1wdk s SER 427 Ca -0.09 -0.06 0.17 0.00 0.70 0.00 0.00 55.95 56.67 1wdk s SER 427 Cb -0.05 -1.13 0.49 0.00 -1.71 0.00 0.00 66.02 63.62 1wdk s SER 427 CO -0.00 0.35 1.39 -3.20 1.20 0.00 0.00 173.24 172.98 1wdk n ASN 428 N 2.09 2.42 -4.58 5.45 5.15 -0.01 -1.23 115.26 124.54 1wdk n ASN 428 Ca -0.17 -1.94 -0.41 0.00 -0.60 0.00 0.00 54.58 51.46 1wdk n ASN 428 Cb 0.53 -0.26 0.02 0.00 -0.53 0.00 0.00 39.78 39.53 1wdk n ASN 428 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1wdk n THR 429 N 0.82 2.47 -0.01 -0.44 5.66 -1.26 -4.59 114.28 116.93 1wdk n THR 429 Ca 0.16 -0.50 0.04 0.00 -3.05 0.00 0.00 64.05 60.70 1wdk n THR 429 Cb 0.40 -1.05 -0.07 0.00 -1.55 0.00 0.00 70.33 68.06 1wdk n THR 429 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wdk n SER 430 N 0.49 2.82 0.00 1.09 3.41 -1.26 -4.74 113.62 115.43 1wdk n SER 430 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1wdk n SER 430 Cb 0.40 1.40 0.00 0.00 -0.26 0.00 0.00 64.21 65.75 1wdk n SER 430 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wdk n THR 431 N -1.86 0.23 -4.13 6.66 -2.24 -1.26 -4.58 114.28 107.10 1wdk n THR 431 Ca -0.02 -0.54 -0.29 0.00 -2.27 0.00 0.00 64.05 60.93 1wdk n THR 431 Cb 0.28 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 1wdk n THR 431 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1wdk s ILE 432 N -0.23 4.05 -0.00 2.28 1.01 -1.26 -4.93 121.20 122.12 1wdk s ILE 432 Ca 0.00 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 1wdk s ILE 432 Cb 0.00 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1wdk s ILE 432 CO 0.00 0.04 1.17 -0.55 0.00 0.00 0.00 174.94 175.59 1wdk s SER 433 N -2.56 7.11 0.15 3.58 0.15 -1.26 -4.93 113.70 115.93 1wdk s SER 433 Ca 0.27 1.87 -0.12 0.00 0.70 0.00 0.00 55.95 58.67 1wdk s SER 433 Cb -0.11 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.65 1wdk s SER 433 CO 0.19 -0.49 1.60 0.40 1.20 0.00 0.00 173.24 176.14 1wdk h ILE 434 N 4.78 1.26 0.00 6.45 5.03 -1.97 -1.47 117.51 131.60 1wdk h ILE 434 Ca -0.38 -1.08 -0.02 0.00 -0.12 0.00 0.00 64.86 63.26 1wdk h ILE 434 Cb 1.19 0.98 -0.00 0.00 -3.03 0.00 0.00 36.82 35.96 1wdk h ILE 434 CO 0.83 0.38 -0.10 0.28 -0.68 0.00 0.00 178.15 178.86 1wdk h SER 435 N 0.73 0.00 0.00 1.72 0.02 -1.92 -0.39 113.55 113.71 1wdk h SER 435 Ca 0.14 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1wdk h SER 435 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1wdk h SER 435 CO 0.03 0.10 -0.03 0.25 -1.14 0.00 0.00 176.83 176.03 1wdk h LEU 436 N 0.00 0.03 -1.29 5.07 6.46 -1.82 -3.27 115.31 120.48 1wdk h LEU 436 Ca -0.00 -0.82 0.05 0.00 -0.12 0.00 0.00 57.88 56.99 1wdk h LEU 436 Cb 0.28 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.16 1wdk h LEU 436 CO 0.01 0.84 0.51 -0.07 -0.62 0.00 0.00 178.44 179.11 1wdk h LEU 437 N -0.79 0.77 -2.60 2.25 3.38 -0.89 -2.12 115.31 115.31 1wdk h LEU 437 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wdk h LEU 437 Cb 0.85 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1wdk h LEU 437 CO 0.01 0.52 -0.01 0.00 0.09 0.00 0.00 178.44 179.04 1wdk h ALA 438 N 1.57 1.13 0.00 1.53 0.00 -1.13 -2.56 119.26 119.80 1wdk h ALA 438 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1wdk h ALA 438 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wdk h ALA 438 CO -0.10 0.02 0.00 0.87 0.00 0.00 0.00 179.25 180.03 1wdk h LYS 439 N 0.00 0.00 -0.00 0.00 1.57 -1.45 -2.28 116.57 114.41 1wdk h LYS 439 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wdk h LYS 439 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1wdk h LYS 439 CO 0.00 0.00 -0.18 0.00 -0.57 0.00 0.00 179.45 178.70 1wdk n ALA 440 N -1.88 2.81 -2.87 3.86 0.00 -0.96 -4.88 120.51 116.60 1wdk n ALA 440 Ca 0.02 -0.21 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 1wdk n ALA 440 Cb 0.28 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 1wdk n ALA 440 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wdk s LEU 441 N -2.89 4.24 0.00 0.00 1.43 -0.86 -4.67 118.68 115.93 1wdk s LEU 441 Ca 0.16 0.22 0.22 0.00 -1.03 0.00 0.00 54.13 53.70 1wdk s LEU 441 Cb 0.19 -3.01 -0.16 0.00 0.03 0.00 0.00 46.19 43.24 1wdk s LEU 441 CO 0.57 -0.10 0.92 2.29 0.23 0.00 0.00 176.35 180.26 1wdk n LYS 442 N -1.25 0.08 -3.18 1.70 2.85 -1.26 -4.47 118.16 112.63 1wdk n LYS 442 Ca -0.07 -0.02 -0.23 0.00 -1.05 0.00 0.00 58.31 56.94 1wdk n LYS 442 Cb 0.56 -1.51 -0.05 0.00 -0.65 0.00 0.00 35.03 33.38 1wdk n LYS 442 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wdk n ARG 443 N -1.60 1.60 0.30 -1.58 1.74 -1.26 -4.94 116.66 110.91 1wdk n ARG 443 Ca 0.03 -3.83 0.18 0.00 -0.77 0.00 0.00 57.85 53.45 1wdk n ARG 443 Cb 0.36 -1.76 0.94 0.00 -1.02 0.00 0.00 32.46 30.98 1wdk n ARG 443 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1wdk h PRO 444 N 3.46 0.00 0.00 5.56 0.11 -1.80 -2.31 132.00 137.02 1wdk h PRO 444 Ca 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1wdk h PRO 444 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1wdk h PRO 444 CO 0.61 0.04 -0.00 0.93 -0.21 0.00 0.00 178.00 179.36 1wdk h GLU 445 N 0.00 0.00 -0.67 1.05 3.07 -1.93 -0.29 114.58 115.81 1wdk h GLU 445 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1wdk h GLU 445 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1wdk h GLU 445 CO 0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.71 1wdk n ASN 446 N -3.31 3.91 -4.55 1.42 3.02 -0.87 -1.28 115.26 113.61 1wdk n ASN 446 Ca -0.03 -2.05 -0.34 0.00 -0.03 0.00 0.00 54.58 52.13 1wdk n ASN 446 Cb 0.08 -0.47 -0.11 0.00 -0.61 0.00 0.00 39.78 38.67 1wdk n ASN 446 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1wdk s PHE 447 N -1.09 3.06 0.26 3.10 5.36 -0.12 -0.88 117.98 127.67 1wdk s PHE 447 Ca 0.46 -0.15 0.01 0.00 -0.96 0.00 0.00 56.93 56.29 1wdk s PHE 447 Cb 0.25 -1.92 -0.00 0.00 -0.34 0.00 0.00 43.02 41.01 1wdk s PHE 447 CO 0.30 0.10 0.32 1.33 -1.46 0.00 0.00 175.22 175.81 1wdk n VAL 448 N 3.17 0.00 -4.69 3.12 0.24 -0.44 -4.33 118.33 115.40 1wdk n VAL 448 Ca -0.18 -1.51 -0.33 0.00 -2.04 0.00 0.00 64.34 60.28 1wdk n VAL 448 Cb 0.53 0.86 -0.12 0.00 -1.47 0.00 0.00 33.84 33.64 1wdk n VAL 448 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wdk s GLY 449 N -2.68 1.64 -0.41 7.63 0.00 -0.27 -2.35 107.32 110.89 1wdk s GLY 449 Ca 0.25 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 44.02 1wdk s GLY 449 CO 0.18 -0.77 0.21 -0.29 0.00 0.00 0.00 173.10 172.42 1wdk s MET 450 N -0.93 1.14 -0.39 2.90 0.00 -0.36 -0.68 119.30 120.97 1wdk s MET 450 Ca 0.13 -1.79 -0.20 0.00 0.00 0.00 0.00 55.69 53.83 1wdk s MET 450 Cb -0.11 -2.24 0.01 0.00 0.00 0.00 0.00 34.83 32.50 1wdk s MET 450 CO 0.02 -1.13 0.60 -1.58 0.00 0.00 0.00 175.02 172.94 1wdk s HIS 451 N 0.64 3.13 0.43 4.11 2.46 -0.43 -3.96 115.29 121.67 1wdk s HIS 451 Ca 0.16 0.12 0.08 0.00 0.47 0.00 0.00 55.06 55.89 1wdk s HIS 451 Cb -0.23 -3.15 0.01 0.00 -0.13 0.00 0.00 32.58 29.08 1wdk s HIS 451 CO -0.04 -0.70 0.55 -0.06 -2.47 0.00 0.00 174.74 172.02 1wdk s PHE 452 N 2.64 2.73 0.03 3.88 0.40 -1.26 -1.15 117.98 125.24 1wdk s PHE 452 Ca 0.22 -0.43 0.06 0.00 -0.60 0.00 0.00 56.93 56.18 1wdk s PHE 452 Cb -0.15 -2.34 -0.02 0.00 0.51 0.00 0.00 43.02 41.02 1wdk s PHE 452 CO 0.16 -0.41 -0.19 -0.06 0.70 0.00 0.00 175.22 175.42 1wdk s PHE 453 N -2.38 1.67 0.01 0.36 0.40 -1.26 -5.00 117.98 111.78 1wdk s PHE 453 Ca 0.54 -0.36 -0.30 0.00 -0.60 0.00 0.00 56.93 56.21 1wdk s PHE 453 Cb -0.09 -1.01 -0.05 0.00 0.51 0.00 0.00 43.02 42.39 1wdk s PHE 453 CO 0.32 0.06 1.21 1.21 0.70 0.00 0.00 175.22 178.72 1wdk s ASN 454 N -1.02 7.05 -0.03 1.36 3.84 -1.26 -2.01 114.94 122.88 1wdk s ASN 454 Ca 0.06 1.95 -0.25 0.00 0.21 0.00 0.00 52.86 54.83 1wdk s ASN 454 Cb -0.08 -2.57 -0.04 0.00 -0.55 0.00 0.00 41.25 38.01 1wdk s ASN 454 CO 0.01 -0.53 0.78 -2.84 -2.79 0.00 0.00 177.10 171.74 1wdk s PRO 455 N 1.59 4.48 0.38 0.43 0.02 -1.26 -4.85 135.00 135.79 1wdk s PRO 455 Ca 0.58 1.05 0.17 0.00 0.02 0.00 0.00 61.00 62.83 1wdk s PRO 455 Cb -0.28 -3.43 1.09 0.00 0.02 0.00 0.00 34.50 31.90 1wdk s PRO 455 CO 0.26 0.08 1.73 0.28 -0.33 0.00 0.00 177.00 179.02 1wdk h VAL 456 N 4.65 0.46 0.00 3.83 2.07 -1.72 0.13 116.25 125.66 1wdk h VAL 456 Ca -0.42 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1wdk h VAL 456 Cb 1.20 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1wdk h VAL 456 CO 0.74 0.07 0.00 0.00 0.02 0.00 0.00 177.57 178.41 1wdk n HIS 457 N -4.74 0.41 -0.14 1.57 1.44 -1.26 -4.07 115.22 108.43 1wdk n HIS 457 Ca 0.28 0.13 -0.28 0.00 -2.01 0.00 0.00 57.72 55.83 1wdk n HIS 457 Cb 0.92 -0.70 -0.10 0.00 0.12 0.00 0.00 29.99 30.23 1wdk n HIS 457 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1wdk n MET 458 N -1.84 0.59 -2.02 -1.40 2.00 0.38 -4.97 117.12 109.86 1wdk n MET 458 Ca 0.06 0.25 -0.42 0.00 0.00 0.00 0.00 57.70 57.58 1wdk n MET 458 Cb 0.34 -1.48 -0.03 0.00 0.00 0.00 0.00 33.22 32.05 1wdk n MET 458 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 1wdk s MET 459 N -2.51 4.21 0.28 0.03 -1.94 -0.79 -4.94 119.30 113.64 1wdk s MET 459 Ca -0.38 2.20 0.04 0.00 -1.71 0.00 0.00 55.69 55.84 1wdk s MET 459 Cb 0.14 -3.75 0.39 0.00 2.01 0.00 0.00 34.83 33.63 1wdk s MET 459 CO 0.50 -0.75 1.68 -1.35 -0.01 0.00 0.00 175.02 175.09 1wdk h PRO 460 N 8.71 0.33 -6.73 2.03 0.11 -1.90 -3.46 132.00 131.09 1wdk h PRO 460 Ca -0.40 -0.16 -0.49 0.00 0.11 0.00 0.00 66.00 65.06 1wdk h PRO 460 Cb 1.19 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1wdk h PRO 460 CO 0.93 0.68 0.21 -1.17 -0.21 0.00 0.00 178.00 178.45 1wdk s LEU 461 N -8.34 4.31 -0.04 2.35 2.96 -1.25 0.28 118.68 118.93 1wdk s LEU 461 Ca -0.05 1.59 -0.02 0.00 -0.22 0.00 0.00 54.13 55.43 1wdk s LEU 461 Cb 0.13 -3.83 0.03 0.00 0.50 0.00 0.00 46.19 43.02 1wdk s LEU 461 CO 0.79 -0.04 0.07 -0.69 -1.32 0.00 0.00 176.35 175.15 1wdk s VAL 462 N -1.62 -0.12 -0.43 1.68 1.01 -1.08 -4.29 120.40 115.55 1wdk s VAL 462 Ca 0.47 0.42 -0.19 0.00 0.00 0.00 0.00 61.98 62.69 1wdk s VAL 462 Cb -0.17 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.07 1wdk s VAL 462 CO 0.21 0.18 0.52 -1.61 0.00 0.00 0.00 175.10 174.41 1wdk s GLU 463 N 2.18 3.19 -0.42 2.72 2.02 -0.30 -1.73 118.70 126.36 1wdk s GLU 463 Ca 0.05 -0.58 -0.25 0.00 0.02 0.00 0.00 54.97 54.21 1wdk s GLU 463 Cb -0.12 -3.95 0.02 0.00 0.10 0.00 0.00 34.13 30.18 1wdk s GLU 463 CO -0.03 -0.91 0.88 0.08 0.02 0.00 0.00 175.26 175.30 1wdk s VAL 464 N 2.42 4.57 -0.23 2.63 1.01 -0.70 -1.31 120.40 128.80 1wdk s VAL 464 Ca 0.17 0.85 -0.16 0.00 0.00 0.00 0.00 61.98 62.84 1wdk s VAL 464 Cb -0.16 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1wdk s VAL 464 CO 0.16 -0.66 0.42 -0.63 0.00 0.00 0.00 175.10 174.38 1wdk s ILE 465 N 3.49 5.16 -0.27 2.22 1.09 0.14 -0.52 121.20 132.52 1wdk s ILE 465 Ca 0.35 0.71 -0.19 0.00 -1.10 0.00 0.00 60.65 60.43 1wdk s ILE 465 Cb -0.11 -3.74 -0.02 0.00 -1.06 0.00 0.00 42.46 37.52 1wdk s ILE 465 CO 0.22 0.19 0.55 -0.60 -0.10 0.00 0.00 174.94 175.20 1wdk s ARG 466 N 1.70 4.02 0.74 2.79 3.52 -0.43 -1.11 118.95 130.18 1wdk s ARG 466 Ca 0.19 0.32 -0.08 0.00 -0.13 0.00 0.00 55.73 56.02 1wdk s ARG 466 Cb -0.15 -3.67 0.07 0.00 -1.56 0.00 0.00 34.95 29.64 1wdk s ARG 466 CO 0.09 -0.42 1.07 0.20 -0.81 0.00 0.00 175.30 175.43 1wdk s GLY 467 N 1.56 1.67 0.56 8.12 0.00 -1.26 -1.42 107.32 116.56 1wdk s GLY 467 Ca 0.22 -0.88 0.25 0.00 0.00 0.00 0.00 44.72 44.31 1wdk s GLY 467 CO 0.10 -0.44 2.20 1.05 0.00 0.00 0.00 173.10 176.01 1wdk h GLU 468 N -0.75 0.00 0.00 2.90 4.11 -1.94 -2.25 114.58 116.64 1wdk h GLU 468 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1wdk h GLU 468 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1wdk h GLU 468 CO 0.61 0.00 -1.26 1.63 0.07 0.00 0.00 179.01 180.06 1wdk n LYS 469 N -4.11 0.24 -1.68 1.06 4.76 -1.26 -4.98 118.16 112.19 1wdk n LYS 469 Ca -0.02 -0.05 -0.48 0.00 -2.87 0.00 0.00 58.31 54.88 1wdk n LYS 469 Cb 0.12 -1.53 -0.05 0.00 -1.84 0.00 0.00 35.03 31.74 1wdk n LYS 469 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1wdk n SER 470 N -1.81 3.39 -4.84 4.39 7.64 -0.85 -3.91 113.62 117.64 1wdk n SER 470 Ca 0.01 0.98 -0.31 0.00 1.01 0.00 0.00 58.87 60.56 1wdk n SER 470 Cb 0.42 -1.37 0.02 0.00 -1.01 0.00 0.00 64.21 62.27 1wdk n SER 470 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wdk s SER 471 N 3.83 5.87 0.43 6.43 1.04 -0.40 -4.79 113.70 126.10 1wdk s SER 471 Ca 0.92 1.56 0.11 0.00 0.48 0.00 0.00 55.95 59.02 1wdk s SER 471 Cb -0.70 -2.49 0.92 0.00 0.10 0.00 0.00 66.02 63.85 1wdk s SER 471 CO 0.51 -1.11 2.00 0.44 0.98 0.00 0.00 173.24 176.06 1wdk h ASP 472 N -0.29 0.18 -0.20 7.02 3.45 -1.93 -1.36 116.42 123.30 1wdk h ASP 472 Ca -0.44 -0.02 -0.05 0.00 0.43 0.00 0.00 57.03 56.94 1wdk h ASP 472 Cb 1.20 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.92 1wdk h ASP 472 CO 0.59 0.27 -0.08 0.25 -1.57 0.00 0.00 179.24 178.70 1wdk h LEU 473 N 0.20 0.41 -0.88 1.55 6.46 -1.92 0.25 115.31 121.37 1wdk h LEU 473 Ca 0.05 -0.40 0.01 0.00 -0.12 0.00 0.00 57.88 57.42 1wdk h LEU 473 Cb 0.23 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1wdk h LEU 473 CO 0.01 0.72 0.58 0.00 -0.62 0.00 0.00 178.44 179.13 1wdk h ALA 474 N 0.71 1.12 -0.07 1.25 0.00 -1.67 0.83 119.26 121.41 1wdk h ALA 474 Ca 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1wdk h ALA 474 Cb 0.55 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wdk h ALA 474 CO 0.03 0.52 -0.09 0.28 0.00 0.00 0.00 179.25 179.99 1wdk h VAL 475 N 1.19 1.38 -0.41 0.00 2.07 -1.16 -2.67 116.25 116.66 1wdk h VAL 475 Ca 0.32 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.59 1wdk h VAL 475 Cb -0.14 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1wdk h VAL 475 CO -0.07 0.35 0.22 0.00 0.02 0.00 0.00 177.57 178.09 1wdk h ALA 476 N 0.55 0.51 -0.71 1.67 0.00 -0.22 -0.38 119.26 120.67 1wdk h ALA 476 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wdk h ALA 476 Cb 0.61 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1wdk h ALA 476 CO 0.02 -0.13 0.39 1.15 0.00 0.00 0.00 179.25 180.68 1wdk h THR 477 N 0.45 1.22 -0.63 0.00 2.02 -0.90 -1.66 112.91 113.41 1wdk h THR 477 Ca 0.17 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1wdk h THR 477 Cb 0.05 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1wdk h THR 477 CO -0.10 0.24 0.12 0.74 0.37 0.00 0.00 175.52 176.89 1wdk h THR 478 N 0.98 1.26 0.30 3.16 2.02 -1.11 -1.39 112.91 118.12 1wdk h THR 478 Ca 0.25 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1wdk h THR 478 Cb 0.04 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1wdk h THR 478 CO -0.04 0.37 -0.25 0.58 0.37 0.00 0.00 175.52 176.55 1wdk h VAL 479 N 0.94 0.47 -0.70 3.16 2.07 -0.65 -1.63 116.25 119.91 1wdk h VAL 479 Ca 0.19 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.72 1wdk h VAL 479 Cb 0.41 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1wdk h VAL 479 CO 0.01 0.00 0.47 0.00 0.02 0.00 0.00 177.57 178.06 1wdk h ALA 480 N 0.07 1.50 -0.60 1.67 0.00 -1.21 -1.88 119.26 118.80 1wdk h ALA 480 Ca -0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1wdk h ALA 480 Cb 0.50 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1wdk h ALA 480 CO -0.03 0.47 0.06 -0.92 0.00 0.00 0.00 179.25 178.83 1wdk h TYR 481 N 0.95 1.06 -0.52 0.00 3.20 -0.98 -0.58 116.97 120.10 1wdk h TYR 481 Ca 0.26 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1wdk h TYR 481 Cb -0.11 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 37.85 1wdk h TYR 481 CO 0.00 0.91 0.18 0.00 -1.64 0.00 0.00 178.16 177.62 1wdk h ALA 482 N 1.13 0.68 -0.78 1.82 0.00 -0.56 -0.80 119.26 120.74 1wdk h ALA 482 Ca 0.18 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1wdk h ALA 482 Cb 0.45 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1wdk h ALA 482 CO 0.02 0.32 0.30 -0.22 0.00 0.00 0.00 179.25 179.66 1wdk h LYS 483 N 0.70 1.17 -0.23 0.00 1.63 -1.09 -0.79 116.57 117.97 1wdk h LYS 483 Ca 0.17 -0.22 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 1wdk h LYS 483 Cb 0.24 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1wdk h LYS 483 CO -0.01 0.96 -0.12 -0.22 -3.45 0.00 0.00 179.45 176.61 1wdk h LYS 484 N 1.14 0.37 0.00 1.90 3.64 -0.71 -1.03 116.57 121.88 1wdk h LYS 484 Ca 0.26 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1wdk h LYS 484 Cb 0.23 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1wdk h LYS 484 CO -0.02 0.50 0.00 -1.33 -2.27 0.00 0.00 179.45 176.33 1wdk n MET 485 N -4.24 0.85 -0.95 1.90 2.81 -0.34 -4.84 117.12 112.30 1wdk n MET 485 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1wdk n MET 485 Cb 0.29 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 1wdk n MET 485 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wdk n GLY 486 N 0.49 0.46 4.02 3.03 0.00 -0.39 -4.89 105.19 107.91 1wdk n GLY 486 Ca 0.08 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 1wdk n GLY 486 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wdk s LYS 487 N -1.11 2.45 -0.42 1.61 -0.14 -0.36 -4.99 119.74 116.77 1wdk s LYS 487 Ca 0.00 -1.55 0.03 0.00 -1.36 0.00 0.00 55.97 53.09 1wdk s LYS 487 Cb 0.00 -2.65 0.11 0.00 -1.68 0.00 0.00 37.83 33.61 1wdk s LYS 487 CO 0.00 -0.68 0.16 -0.80 -0.76 0.00 0.00 175.35 173.27 1wdk s ASN 488 N -4.56 4.67 0.28 2.83 0.01 0.14 -4.12 114.94 114.20 1wdk s ASN 488 Ca 0.59 -2.49 -0.28 0.00 -0.71 0.00 0.00 52.86 49.97 1wdk s ASN 488 Cb -0.07 -1.66 -0.09 0.00 0.41 0.00 0.00 41.25 39.84 1wdk s ASN 488 CO 0.36 -0.34 0.93 -2.16 -1.51 0.00 0.00 177.10 174.39 1wdk s PRO 489 N 0.44 4.70 -0.05 -0.60 0.04 -1.26 -2.63 135.00 135.65 1wdk s PRO 489 Ca 0.13 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.55 1wdk s PRO 489 Cb -0.22 -3.04 0.03 0.00 0.04 0.00 0.00 34.50 31.31 1wdk s PRO 489 CO -0.05 0.40 0.02 0.42 0.04 0.00 0.00 177.00 177.84 1wdk s ILE 490 N -1.40 0.12 0.14 0.56 1.01 -0.71 -4.96 121.20 115.97 1wdk s ILE 490 Ca 0.45 0.24 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 1wdk s ILE 490 Cb -0.22 -0.30 -0.07 0.00 0.01 0.00 0.00 42.46 41.88 1wdk s ILE 490 CO 0.27 0.19 1.14 -0.69 0.00 0.00 0.00 174.94 175.86 1wdk s VAL 491 N 1.77 3.89 -0.03 2.92 1.01 -1.26 -1.72 120.40 126.97 1wdk s VAL 491 Ca 0.01 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1wdk s VAL 491 Cb -0.13 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1wdk s VAL 491 CO -0.03 0.22 0.01 -0.69 0.00 0.00 0.00 175.10 174.61 1wdk s VAL 492 N 0.18 0.09 0.33 2.92 1.01 0.32 -4.70 120.40 120.54 1wdk s VAL 492 Ca 0.52 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 62.37 1wdk s VAL 492 Cb -0.30 -0.22 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 1wdk s VAL 492 CO 0.34 0.13 1.18 0.20 0.00 0.00 0.00 175.10 176.95 1wdk s ASN 493 N 1.14 6.94 0.13 3.32 0.01 -0.11 -1.31 114.94 125.05 1wdk s ASN 493 Ca -0.08 2.42 -0.35 0.00 -0.71 0.00 0.00 52.86 54.14 1wdk s ASN 493 Cb -0.13 -2.63 -0.16 0.00 0.41 0.00 0.00 41.25 38.74 1wdk s ASN 493 CO -0.02 -0.39 1.34 -0.67 -1.51 0.00 0.00 177.10 175.84 1wdk n ASP 494 N 0.79 1.86 -3.61 -1.22 2.03 -0.50 -4.83 116.55 111.07 1wdk n ASP 494 Ca 0.01 1.12 -0.06 0.00 0.52 0.00 0.00 54.79 56.38 1wdk n ASP 494 Cb 0.44 -1.25 -0.04 0.00 -0.72 0.00 0.00 41.12 39.55 1wdk n ASP 494 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wdk n PRO 496 N 0.54 1.89 -0.92 0.00 -0.02 -1.26 -0.26 135.00 134.97 1wdk n PRO 496 Ca -0.05 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1wdk n PRO 496 Cb 0.58 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1wdk n PRO 496 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wdk n GLY 497 N 3.52 0.87 7.00 -1.23 0.00 -1.26 -4.58 105.19 109.51 1wdk n GLY 497 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1wdk n GLY 497 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wdk n PHE 498 N -2.00 0.00 -0.11 1.61 0.99 0.64 -1.51 117.46 117.07 1wdk n PHE 498 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.27 1wdk n PHE 498 Cb 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.42 1wdk n PHE 498 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1wdk n LEU 499 N 0.00 1.93 0.31 4.37 -0.00 -1.26 -4.36 117.00 117.98 1wdk n LEU 499 Ca 0.00 0.33 -0.12 0.00 -0.00 0.00 0.00 56.01 56.22 1wdk n LEU 499 Cb 0.00 -0.76 -0.06 0.00 -0.00 0.00 0.00 43.42 42.60 1wdk n LEU 499 CO 0.00 0.09 0.52 0.58 -0.00 0.00 0.00 177.39 178.58 1wdk h VAL 500 N -0.98 0.00 -0.77 1.96 2.07 -1.92 -2.74 116.25 113.88 1wdk h VAL 500 Ca -0.30 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1wdk h VAL 500 Cb 1.25 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1wdk h VAL 500 CO -0.18 0.00 0.51 0.78 0.02 0.00 0.00 177.57 178.69 1wdk h ASN 501 N -0.78 0.88 0.04 0.57 4.21 -1.83 -0.98 115.58 117.68 1wdk h ASN 501 Ca -0.08 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.40 1wdk h ASN 501 Cb 0.60 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.58 1wdk h ASN 501 CO 0.13 0.64 -0.04 -0.09 -1.29 0.00 0.00 177.43 176.78 1wdk h ARG 502 N 1.04 0.00 0.03 0.81 2.43 -1.30 -1.95 114.38 115.43 1wdk h ARG 502 Ca 0.28 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.15 1wdk h ARG 502 Cb -0.12 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1wdk h ARG 502 CO -0.06 0.04 -1.69 0.28 -1.51 0.00 0.00 179.97 177.02 1wdk h VAL 503 N 0.00 0.89 -0.53 0.20 2.07 -1.04 -3.38 116.25 114.47 1wdk h VAL 503 Ca -0.00 -2.70 -0.12 0.00 0.82 0.00 0.00 66.70 64.70 1wdk h VAL 503 Cb 0.07 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1wdk h VAL 503 CO 0.00 0.61 -0.14 -0.07 0.02 0.00 0.00 177.57 178.00 1wdk h LEU 504 N 0.02 1.04 -0.67 2.57 3.38 -0.64 -3.20 115.31 117.80 1wdk h LEU 504 Ca -0.29 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.24 1wdk h LEU 504 Cb 2.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.44 1wdk h LEU 504 CO 0.09 1.16 0.10 -0.26 0.09 0.00 0.00 178.44 179.63 1wdk h PHE 505 N 0.90 1.19 -0.19 1.13 -1.00 -1.55 0.58 116.94 118.00 1wdk h PHE 505 Ca 0.13 -0.17 0.01 0.00 2.81 0.00 0.00 57.97 60.75 1wdk h PHE 505 Cb 0.71 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 1wdk h PHE 505 CO 0.05 1.00 0.13 -1.35 -1.61 0.00 0.00 178.31 176.52 1wdk h PRO 506 N 1.04 0.24 -0.40 1.51 0.11 -1.73 0.62 132.00 133.39 1wdk h PRO 506 Ca 0.20 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 1wdk h PRO 506 Cb 0.45 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1wdk h PRO 506 CO 0.01 0.16 0.13 -0.92 -0.21 0.00 0.00 178.00 177.17 1wdk h TYR 507 N 0.24 0.63 0.00 0.65 3.20 -1.20 -2.12 116.97 118.37 1wdk h TYR 507 Ca 0.07 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1wdk h TYR 507 Cb -0.00 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1wdk h TYR 507 CO -0.00 0.58 -0.35 0.74 -1.64 0.00 0.00 178.16 177.49 1wdk h PHE 508 N 0.49 0.00 0.28 -3.82 0.05 0.67 -2.71 116.94 111.91 1wdk h PHE 508 Ca 0.13 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.90 1wdk h PHE 508 Cb 0.24 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.19 1wdk h PHE 508 CO 0.01 0.35 -0.13 0.78 -0.18 0.00 0.00 178.31 179.13 1wdk h GLY 509 N 1.89 -0.39 0.40 -1.45 0.00 0.71 0.27 103.07 104.50 1wdk h GLY 509 Ca -0.00 0.15 0.15 0.00 0.00 0.00 0.00 47.33 47.62 1wdk h GLY 509 CO 0.05 -0.14 0.61 -1.33 0.00 0.00 0.00 176.54 175.72 1wdk h GLY 510 N -0.51 1.52 1.31 4.60 0.00 -1.28 0.51 103.07 109.22 1wdk h GLY 510 Ca -0.04 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1wdk h GLY 510 CO 0.06 0.08 -0.02 -2.75 0.00 0.00 0.00 176.54 173.91 1wdk h PHE 511 N 0.83 0.89 -0.55 5.60 3.57 -1.11 -1.30 116.94 124.88 1wdk h PHE 511 Ca 0.50 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.75 1wdk h PHE 511 Cb 0.68 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1wdk h PHE 511 CO -0.00 0.83 -0.09 0.00 -2.23 0.00 0.00 178.31 176.82 1wdk h ALA 512 N 1.20 0.75 -0.11 2.41 0.00 0.34 -2.23 119.26 121.64 1wdk h ALA 512 Ca 0.14 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1wdk h ALA 512 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1wdk h ALA 512 CO 0.03 0.66 -0.29 0.87 0.00 0.00 0.00 179.25 180.51 1wdk h LYS 513 N 0.91 0.20 -0.05 0.00 1.57 -0.18 -1.44 116.57 117.59 1wdk h LYS 513 Ca 0.14 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1wdk h LYS 513 Cb 0.66 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1wdk h LYS 513 CO 0.05 0.47 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.28 1wdk h LEU 514 N 0.18 0.12 -1.00 2.94 3.38 -1.00 -2.26 115.31 117.66 1wdk h LEU 514 Ca 0.03 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 1wdk h LEU 514 Cb 0.61 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1wdk h LEU 514 CO 0.04 0.59 0.27 0.58 0.09 0.00 0.00 178.44 180.01 1wdk h VAL 515 N -0.34 1.23 0.00 1.22 2.07 -1.32 -0.55 116.25 118.55 1wdk h VAL 515 Ca 0.01 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1wdk h VAL 515 Cb 0.55 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1wdk h VAL 515 CO 0.01 0.29 0.00 0.28 0.02 0.00 0.00 177.57 178.17 1wdk h SER 516 N 0.97 0.00 -0.46 0.57 0.02 -1.25 -2.19 113.55 111.22 1wdk h SER 516 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1wdk h SER 516 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1wdk h SER 516 CO -0.02 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.67 1wdk n ALA 517 N -2.03 3.41 -0.94 3.77 0.00 -0.28 0.25 120.51 124.69 1wdk n ALA 517 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.04 1wdk n ALA 517 Cb 0.26 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1wdk n ALA 517 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wdk n GLY 518 N 0.61 0.62 3.73 0.00 0.00 -0.82 -2.03 105.19 107.30 1wdk n GLY 518 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1wdk n GLY 518 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wdk s VAL 519 N -2.69 3.78 0.04 1.61 1.01 -0.79 -4.96 120.40 118.41 1wdk s VAL 519 Ca 0.00 1.45 -0.30 0.00 0.00 0.00 0.00 61.98 63.13 1wdk s VAL 519 Cb 0.00 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 1wdk s VAL 519 CO 0.00 0.21 1.61 -0.62 0.00 0.00 0.00 175.10 176.30 1wdk s ASP 520 N 0.28 6.65 0.51 3.32 3.68 -1.26 -4.33 116.67 125.51 1wdk s ASP 520 Ca 0.53 2.39 0.29 0.00 2.13 0.00 0.00 52.55 57.90 1wdk s ASP 520 Cb -0.31 -2.56 1.18 0.00 -1.45 0.00 0.00 42.92 39.79 1wdk s ASP 520 CO 0.34 -0.86 1.92 2.19 0.13 0.00 0.00 175.17 178.89 1wdk h PHE 521 N 8.40 0.00 -0.12 -5.34 -5.15 -1.96 -1.29 116.94 111.47 1wdk h PHE 521 Ca -0.41 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.17 1wdk h PHE 521 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.36 1wdk h PHE 521 CO 0.79 0.09 -0.68 0.28 -2.00 0.00 0.00 178.31 176.79 1wdk h VAL 522 N 0.00 1.34 -0.22 0.88 2.07 -2.00 -2.69 116.25 115.64 1wdk h VAL 522 Ca -0.00 -2.00 -0.11 0.00 0.82 0.00 0.00 66.70 65.41 1wdk h VAL 522 Cb 0.60 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1wdk h VAL 522 CO 0.01 0.61 -0.30 -0.09 0.02 0.00 0.00 177.57 177.82 1wdk h ARG 523 N 0.37 0.58 0.07 1.57 2.43 -1.84 -3.02 114.38 114.55 1wdk h ARG 523 Ca -0.02 -0.34 0.01 0.00 -0.81 0.00 0.00 59.98 58.82 1wdk h ARG 523 Cb 1.25 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.78 1wdk h ARG 523 CO 0.12 0.94 -0.48 0.82 -1.51 0.00 0.00 179.97 179.87 1wdk h ILE 524 N 0.27 0.00 0.00 1.20 2.04 -1.16 -1.24 117.51 118.62 1wdk h ILE 524 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1wdk h ILE 524 Cb 0.88 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1wdk h ILE 524 CO 0.07 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 177.32 1wdk n ASP 525 N -5.16 0.56 0.07 1.72 5.68 -1.02 -1.52 116.55 116.88 1wdk n ASP 525 Ca -0.07 0.62 -0.07 0.00 -0.50 0.00 0.00 54.79 54.76 1wdk n ASP 525 Cb 0.37 -0.74 0.07 0.00 -1.14 0.00 0.00 41.12 39.67 1wdk n ASP 525 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1wdk h LYS 526 N 0.00 0.28 -0.10 0.11 1.63 -1.23 -0.10 116.57 117.17 1wdk h LYS 526 Ca 0.00 -0.22 -0.19 0.00 -0.85 0.00 0.00 60.65 59.38 1wdk h LYS 526 Cb 0.41 0.04 0.01 0.00 -0.60 0.00 0.00 32.23 32.10 1wdk h LYS 526 CO 0.00 0.87 -0.69 0.28 -3.45 0.00 0.00 179.45 176.46 1wdk h VAL 527 N 0.20 1.33 0.00 2.00 2.07 -0.17 -2.26 116.25 119.41 1wdk h VAL 527 Ca -0.02 -1.96 -0.09 0.00 0.82 0.00 0.00 66.70 65.45 1wdk h VAL 527 Cb 1.24 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1wdk h VAL 527 CO 0.11 0.60 -0.41 0.24 0.02 0.00 0.00 177.57 178.13 1wdk h MET 528 N 0.29 0.00 -0.04 1.57 2.86 -1.21 0.08 114.93 118.49 1wdk h MET 528 Ca -0.06 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.37 1wdk h MET 528 Cb 1.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1wdk h MET 528 CO 0.14 0.41 -0.87 0.93 1.06 0.00 0.00 176.91 178.59 1wdk h GLU 529 N 0.00 0.46 -0.14 1.72 5.08 -1.02 -1.15 114.58 119.53 1wdk h GLU 529 Ca -0.00 -0.44 -0.12 0.00 -1.00 0.00 0.00 59.36 57.79 1wdk h GLU 529 Cb 0.90 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1wdk h GLU 529 CO 0.05 1.09 -0.44 -0.22 -1.00 0.00 0.00 179.01 178.49 1wdk h LYS 530 N 0.28 0.34 0.00 2.33 3.64 -1.07 -1.94 116.57 120.14 1wdk h LYS 530 Ca -0.06 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 1wdk h LYS 530 Cb 1.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1wdk h LYS 530 CO 0.15 0.72 -0.05 0.35 -2.27 0.00 0.00 179.45 178.35 1wdk h PHE 531 N 0.28 0.00 0.00 1.91 3.57 -0.77 -3.46 116.94 118.47 1wdk h PHE 531 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1wdk h PHE 531 Cb 0.89 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1wdk h PHE 531 CO 0.02 0.05 0.00 0.41 -2.23 0.00 0.00 178.31 176.56 1wdk n GLY 532 N -1.19 1.19 3.74 2.40 0.00 -0.73 -4.97 105.19 105.64 1wdk n GLY 532 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1wdk n GLY 532 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wdk s TRP 533 N -0.82 2.94 0.16 1.61 0.52 -0.47 -4.53 118.94 118.34 1wdk s TRP 533 Ca 0.00 0.81 -0.16 0.00 0.02 0.00 0.00 56.10 56.76 1wdk s TRP 533 Cb 0.00 -3.95 0.08 0.00 -1.15 0.00 0.00 33.47 28.45 1wdk s TRP 533 CO 0.00 -3.25 1.71 -1.35 0.02 0.00 0.00 176.95 174.08 1wdk h PRO 534 N 5.49 0.13 -5.67 4.98 0.11 -1.88 -3.38 132.00 131.78 1wdk h PRO 534 Ca -0.45 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.15 1wdk h PRO 534 Cb 1.21 -0.03 -0.24 0.00 0.11 0.00 0.00 31.00 32.05 1wdk h PRO 534 CO 0.83 0.09 -0.81 -1.64 -0.21 0.00 0.00 178.00 176.25 1wdk s MET 535 N -6.18 1.07 0.75 1.05 -1.94 -1.26 -4.99 119.30 107.81 1wdk s MET 535 Ca -0.13 -0.90 -0.11 0.00 -1.71 0.00 0.00 55.69 52.83 1wdk s MET 535 Cb 0.13 -1.15 0.04 0.00 2.01 0.00 0.00 34.83 35.85 1wdk s MET 535 CO 0.71 0.28 1.09 0.20 -0.01 0.00 0.00 175.02 177.29 1wdk s GLY 536 N -1.36 1.63 0.14 -0.03 0.00 -1.26 -4.76 107.32 101.68 1wdk s GLY 536 Ca 0.03 -0.26 -0.27 0.00 0.00 0.00 0.00 44.72 44.22 1wdk s GLY 536 CO 0.02 0.13 1.59 -2.55 0.00 0.00 0.00 173.10 172.29 1wdk h PRO 537 N -0.85 -0.40 0.07 2.90 0.11 -1.91 0.36 132.00 132.28 1wdk h PRO 537 Ca -0.46 0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.70 1wdk h PRO 537 Cb 1.26 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 1wdk h PRO 537 CO 0.61 -0.27 -0.23 0.00 -0.21 0.00 0.00 178.00 177.91 1wdk h ALA 538 N 0.30 -0.36 -0.80 -0.75 0.00 -1.94 0.17 119.26 115.88 1wdk h ALA 538 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1wdk h ALA 538 Cb 0.59 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1wdk h ALA 538 CO -0.44 -0.75 0.42 -0.92 0.00 0.00 0.00 179.25 177.56 1wdk h TYR 539 N -0.40 1.13 -0.49 0.00 3.20 -1.88 -1.93 116.97 116.59 1wdk h TYR 539 Ca 0.04 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1wdk h TYR 539 Cb 0.45 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1wdk h TYR 539 CO -0.24 0.80 0.24 1.25 -1.64 0.00 0.00 178.16 178.57 1wdk h LEU 540 N 1.13 0.64 -1.23 2.82 6.46 0.13 -0.87 115.31 124.39 1wdk h LEU 540 Ca 0.28 -0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.97 1wdk h LEU 540 Cb 0.07 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.78 1wdk h LEU 540 CO -0.04 0.59 0.54 0.24 -0.62 0.00 0.00 178.44 179.15 1wdk h MET 541 N 0.66 0.94 0.06 1.25 2.86 -0.30 0.60 114.93 120.99 1wdk h MET 541 Ca 0.17 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1wdk h MET 541 Cb 0.11 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1wdk h MET 541 CO -0.02 0.62 -0.03 -0.44 1.06 0.00 0.00 176.91 178.10 1wdk h ASP 542 N 0.97 -0.07 -0.83 1.22 3.32 -0.63 0.17 116.42 120.56 1wdk h ASP 542 Ca 0.34 -0.36 0.10 0.00 0.02 0.00 0.00 57.03 57.14 1wdk h ASP 542 Cb 0.14 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.63 1wdk h ASP 542 CO -0.11 0.33 0.47 0.58 -1.72 0.00 0.00 179.24 178.79 1wdk h VAL 543 N -0.48 0.89 0.00 -1.35 2.07 -0.66 0.21 116.25 116.93 1wdk h VAL 543 Ca -0.01 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1wdk h VAL 543 Cb 0.42 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1wdk h VAL 543 CO 0.01 0.14 -0.48 0.58 0.02 0.00 0.00 177.57 177.85 1wdk h VAL 544 N 0.78 0.98 -0.10 2.57 2.07 -0.84 -3.45 116.25 118.25 1wdk h VAL 544 Ca 0.41 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1wdk h VAL 544 Cb 0.40 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1wdk h VAL 544 CO -0.26 0.47 0.00 0.61 0.02 0.00 0.00 177.57 178.41 1wdk n GLY 545 N 0.62 0.65 0.36 2.17 0.00 0.59 -4.52 105.19 105.06 1wdk n GLY 545 Ca 0.00 -1.20 0.03 0.00 0.00 0.00 0.00 46.02 44.85 1wdk n GLY 545 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wdk h ILE 546 N 0.00 1.10 -0.70 -0.61 5.03 0.19 -0.62 117.51 121.90 1wdk h ILE 546 Ca 0.00 -0.36 0.00 0.00 -0.12 0.00 0.00 64.86 64.39 1wdk h ILE 546 Cb 0.00 -0.04 -0.03 0.00 -3.03 0.00 0.00 36.82 33.72 1wdk h ILE 546 CO 0.00 0.19 0.45 -2.24 -0.68 0.00 0.00 178.15 175.86 1wdk h ASP 547 N 1.04 0.82 -0.13 1.72 3.04 -1.88 0.28 116.42 121.31 1wdk h ASP 547 Ca 0.37 -0.04 -0.01 0.00 -3.24 0.00 0.00 57.03 54.11 1wdk h ASP 547 Cb 0.13 -0.20 -0.01 0.00 -1.04 0.00 0.00 39.33 38.21 1wdk h ASP 547 CO -0.13 0.61 0.05 0.74 -2.04 0.00 0.00 179.24 178.48 1wdk h THR 548 N 0.95 1.14 -0.49 1.15 2.02 -1.53 -1.56 112.91 114.59 1wdk h THR 548 Ca 0.25 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 1wdk h THR 548 Cb -0.08 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1wdk h THR 548 CO -0.05 0.13 0.15 1.23 0.37 0.00 0.00 175.52 177.35 1wdk h GLY 549 N 0.06 0.77 0.92 2.16 0.00 -0.79 0.12 103.07 106.31 1wdk h GLY 549 Ca 0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1wdk h GLY 549 CO -0.00 0.38 -0.05 0.84 0.00 0.00 0.00 176.54 177.71 1wdk h HIS 550 N 0.70 -0.12 -0.09 5.60 6.17 -0.17 -0.51 115.15 126.74 1wdk h HIS 550 Ca 0.16 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.24 1wdk h HIS 550 Cb 0.21 0.04 -0.00 0.00 2.52 0.00 0.00 27.41 30.18 1wdk h HIS 550 CO 0.01 -0.00 0.06 1.25 0.71 0.00 0.00 177.93 179.96 1wdk h HIS 551 N -0.21 0.11 -0.43 5.26 6.17 -0.96 -2.69 115.15 122.40 1wdk h HIS 551 Ca -0.01 0.00 0.08 0.00 0.71 0.00 0.00 60.37 61.15 1wdk h HIS 551 Cb 0.17 -0.04 -0.08 0.00 2.52 0.00 0.00 27.41 29.98 1wdk h HIS 551 CO -0.05 0.08 -0.07 0.78 0.71 0.00 0.00 177.93 179.38 1wdk h GLY 552 N 0.12 0.35 0.11 5.26 0.00 -0.82 -1.89 103.07 106.20 1wdk h GLY 552 Ca 0.03 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.55 1wdk h GLY 552 CO -0.01 -0.15 -0.20 -0.09 0.00 0.00 0.00 176.54 176.10 1wdk h ARG 553 N 0.04 -0.15 -0.67 4.80 2.43 -0.89 -0.94 114.38 118.99 1wdk h ARG 553 Ca 0.21 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.49 1wdk h ARG 553 Cb 0.31 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.82 1wdk h ARG 553 CO -0.41 -0.10 0.28 -0.44 -1.51 0.00 0.00 179.97 177.79 1wdk h ASP 554 N -0.16 0.30 -0.33 -3.80 5.19 -1.05 0.24 116.42 116.82 1wdk h ASP 554 Ca 0.17 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1wdk h ASP 554 Cb 0.42 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1wdk h ASP 554 CO -0.43 0.16 0.19 0.58 -3.12 0.00 0.00 179.24 176.62 1wdk h VAL 555 N 0.46 1.12 -0.52 -1.35 2.07 -0.57 -1.84 116.25 115.62 1wdk h VAL 555 Ca 0.34 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.45 1wdk h VAL 555 Cb 0.44 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1wdk h VAL 555 CO -0.32 0.12 -0.06 0.24 0.02 0.00 0.00 177.57 177.57 1wdk h MET 556 N 0.41 0.97 -1.01 1.57 2.86 -0.50 -0.18 114.93 119.05 1wdk h MET 556 Ca 0.12 -0.34 0.06 0.00 -2.06 0.00 0.00 59.70 57.47 1wdk h MET 556 Cb 0.04 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.56 1wdk h MET 556 CO -0.02 1.01 0.65 0.00 1.06 0.00 0.00 176.91 179.61 1wdk h ALA 557 N 0.93 1.38 -0.18 6.32 0.00 -0.37 0.24 119.26 127.58 1wdk h ALA 557 Ca 0.14 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1wdk h ALA 557 Cb 0.62 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wdk h ALA 557 CO 0.04 0.47 -0.66 0.93 0.00 0.00 0.00 179.25 180.04 1wdk h GLU 558 N 1.20 0.68 -0.40 0.00 5.08 -1.09 -2.83 114.58 117.22 1wdk h GLU 558 Ca 0.43 -0.49 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1wdk h GLU 558 Cb 0.13 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1wdk h GLU 558 CO -0.16 1.11 0.07 0.78 -1.00 0.00 0.00 179.01 179.81 1wdk h GLY 559 N 0.86 0.71 -6.22 -3.84 0.00 0.34 -3.38 103.07 91.54 1wdk h GLY 559 Ca -0.02 -0.47 -0.58 0.00 0.00 0.00 0.00 47.33 46.27 1wdk h GLY 559 CO 0.13 0.43 -0.96 0.69 0.00 0.00 0.00 176.54 176.83 1wdk n PHE 560 N -4.53 0.27 -0.12 5.60 3.01 0.71 -4.97 117.46 117.43 1wdk n PHE 560 Ca -0.01 -3.62 0.11 0.00 1.01 0.00 0.00 57.45 54.95 1wdk n PHE 560 Cb 0.23 -0.21 0.47 0.00 -0.01 0.00 0.00 39.48 39.95 1wdk n PHE 560 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1wdk h PRO 561 N 4.62 0.48 0.00 -1.08 0.11 -1.68 0.17 132.00 134.62 1wdk h PRO 561 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1wdk h PRO 561 Cb 0.85 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1wdk h PRO 561 CO 0.50 0.32 0.00 0.38 -0.21 0.00 0.00 178.00 178.99 1wdk h ASP 562 N 0.49 0.00 0.00 -2.05 2.03 -1.93 -3.27 116.42 111.69 1wdk h ASP 562 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1wdk h ASP 562 Cb 0.52 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1wdk h ASP 562 CO -0.09 0.00 0.00 -2.11 -1.03 0.00 0.00 179.24 176.01 1wdk n ARG 563 N -2.92 4.45 0.00 4.15 1.85 -0.91 -4.83 116.66 118.45 1wdk n ARG 563 Ca -0.03 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.92 1wdk n ARG 563 Cb 0.07 -0.37 0.06 0.00 -1.05 0.00 0.00 32.46 31.17 1wdk n ARG 563 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1wdk n MET 564 N 0.00 1.63 -3.22 2.89 2.81 0.55 -4.52 117.12 117.26 1wdk n MET 564 Ca 0.00 -1.47 -0.40 0.00 -1.81 0.00 0.00 57.70 54.02 1wdk n MET 564 Cb 0.00 -1.36 -0.07 0.00 -0.71 0.00 0.00 33.22 31.08 1wdk n MET 564 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1wdk s LYS 565 N -1.70 4.05 -0.16 0.03 1.02 -1.23 -4.35 119.74 117.40 1wdk s LYS 565 Ca 0.21 0.32 -0.03 0.00 0.02 0.00 0.00 55.97 56.49 1wdk s LYS 565 Cb 0.16 -3.66 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 1wdk s LYS 565 CO 0.29 -0.37 -0.05 0.34 -0.92 0.00 0.00 175.35 174.63 1wdk s ASP 566 N 1.55 4.67 -0.07 2.83 -1.08 -1.26 -4.98 116.67 118.33 1wdk s ASP 566 Ca 0.22 -0.17 0.03 0.00 -0.52 0.00 0.00 52.55 52.10 1wdk s ASP 566 Cb -0.16 -1.76 0.19 0.00 -1.46 0.00 0.00 42.92 39.74 1wdk s ASP 566 CO 0.09 0.15 0.89 -0.90 0.52 0.00 0.00 175.17 175.93 1wdk n ASP 567 N 3.63 2.36 -3.92 -0.34 5.75 -1.26 -4.84 116.55 117.94 1wdk n ASP 567 Ca -0.17 -2.26 -0.10 0.00 -0.01 0.00 0.00 54.79 52.24 1wdk n ASP 567 Cb 0.52 -0.55 -0.11 0.00 -1.03 0.00 0.00 41.12 39.95 1wdk n ASP 567 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1wdk s ARG 568 N -1.30 0.30 0.15 0.11 3.00 -1.26 -5.14 118.95 114.81 1wdk s ARG 568 Ca 0.13 -0.39 -0.30 0.00 0.00 0.00 0.00 55.73 55.17 1wdk s ARG 568 Cb 0.10 0.12 -0.08 0.00 0.00 0.00 0.00 34.95 35.09 1wdk s ARG 568 CO 0.04 -0.06 1.24 1.03 0.00 0.00 0.00 175.30 177.55 1wdk s ARG 569 N -1.08 4.44 0.29 3.54 0.52 -1.26 -5.03 118.95 120.37 1wdk s ARG 569 Ca -0.12 1.90 0.04 0.00 -0.52 0.00 0.00 55.73 57.03 1wdk s ARG 569 Cb -0.07 -3.26 0.04 0.00 0.52 0.00 0.00 34.95 32.18 1wdk s ARG 569 CO -0.00 -0.19 0.32 -1.13 0.02 0.00 0.00 175.30 174.32 1wdk n SER 570 N 2.98 1.50 0.30 0.23 3.41 -1.26 -4.87 113.62 115.90 1wdk n SER 570 Ca 0.06 -1.89 0.19 0.00 -0.26 0.00 0.00 58.87 56.97 1wdk n SER 570 Cb 0.44 -0.12 0.88 0.00 -0.26 0.00 0.00 64.21 65.15 1wdk n SER 570 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wdk h ALA 571 N 0.50 1.04 -0.06 7.33 0.00 -1.93 -2.54 119.26 123.60 1wdk h ALA 571 Ca -0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1wdk h ALA 571 Cb 0.66 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1wdk h ALA 571 CO 0.24 0.03 -0.03 0.82 0.00 0.00 0.00 179.25 180.31 1wdk h ILE 572 N 0.00 1.33 -0.62 0.00 2.04 -1.98 -1.36 117.51 116.93 1wdk h ILE 572 Ca -0.00 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 64.82 1wdk h ILE 572 Cb 0.31 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1wdk h ILE 572 CO 0.00 0.29 0.40 0.44 0.00 0.00 0.00 178.15 179.28 1wdk h ASP 573 N -0.26 0.68 -0.76 1.72 3.32 -1.85 0.89 116.42 120.15 1wdk h ASP 573 Ca 0.01 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1wdk h ASP 573 Cb 0.48 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1wdk h ASP 573 CO 0.01 0.48 0.31 0.00 -1.72 0.00 0.00 179.24 178.32 1wdk h ALA 574 N 1.24 0.99 -0.03 3.45 0.00 -1.40 0.03 119.26 123.54 1wdk h ALA 574 Ca 0.24 -0.19 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1wdk h ALA 574 Cb -0.05 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.45 1wdk h ALA 574 CO -0.07 0.61 -0.95 -0.07 0.00 0.00 0.00 179.25 178.78 1wdk h LEU 575 N 1.10 0.73 0.10 0.00 3.38 -0.91 -2.25 115.31 117.47 1wdk h LEU 575 Ca 0.25 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1wdk h LEU 575 Cb 0.21 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1wdk h LEU 575 CO -0.02 1.36 -0.05 0.22 0.09 0.00 0.00 178.44 180.04 1wdk h TYR 576 N 0.34 -0.13 -0.19 1.13 3.20 -0.73 0.66 116.97 121.25 1wdk h TYR 576 Ca -0.09 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.80 1wdk h TYR 576 Cb 1.58 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.89 1wdk h TYR 576 CO 0.08 0.26 0.13 0.93 -1.64 0.00 0.00 178.16 177.91 1wdk h GLU 577 N -0.55 0.16 -0.20 1.82 5.08 -1.09 0.22 114.58 120.02 1wdk h GLU 577 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1wdk h GLU 577 Cb 0.45 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1wdk h GLU 577 CO 0.02 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.14 1wdk n ALA 578 N -2.53 2.48 -1.99 3.43 0.00 -0.85 -4.90 120.51 116.15 1wdk n ALA 578 Ca 0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 53.44 52.86 1wdk n ALA 578 Cb 0.14 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 1wdk n ALA 578 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wdk n LYS 579 N 0.11 -1.51 -3.05 0.00 4.01 0.77 -4.91 118.16 113.57 1wdk n LYS 579 Ca 0.09 1.10 -0.44 0.00 -0.51 0.00 0.00 58.31 58.54 1wdk n LYS 579 Cb 0.20 -5.59 0.00 0.00 -0.51 0.00 0.00 35.03 29.13 1wdk n LYS 579 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1wdk n ARG 580 N -2.68 3.50 0.02 1.97 1.74 0.22 -4.86 116.66 116.57 1wdk n ARG 580 Ca -0.22 -4.08 0.10 0.00 -0.77 0.00 0.00 57.85 52.88 1wdk n ARG 580 Cb 0.67 -2.83 0.44 0.00 -1.02 0.00 0.00 32.46 29.73 1wdk n ARG 580 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wdk n LEU 581 N 4.24 0.12 0.00 0.55 4.77 -0.86 -4.40 117.00 121.41 1wdk n LEU 581 Ca 0.32 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.82 1wdk n LEU 581 Cb 0.40 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1wdk n LEU 581 CO 0.59 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1wdk n GLY 582 N 0.61 0.46 0.22 -0.72 0.00 0.13 0.18 105.19 106.07 1wdk n GLY 582 Ca 0.05 -2.21 -0.01 0.00 0.00 0.00 0.00 46.02 43.85 1wdk n GLY 582 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1wdk h GLN 583 N 6.76 0.15 -0.64 1.61 4.15 -1.58 -0.13 115.11 125.43 1wdk h GLN 583 Ca 0.00 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.42 1wdk h GLN 583 Cb 0.00 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 1wdk h GLN 583 CO 0.00 0.10 0.42 1.57 -1.93 0.00 0.00 178.83 178.99 1wdk h LYS 584 N 0.15 0.84 0.00 1.69 2.10 -1.88 -1.51 116.57 117.95 1wdk h LYS 584 Ca 0.29 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1wdk h LYS 584 Cb 0.44 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1wdk h LYS 584 CO -0.44 0.55 0.00 -0.97 -2.00 0.00 0.00 179.45 176.59 1wdk h ASN 585 N 0.86 0.00 0.00 7.07 -1.24 -1.57 -3.46 115.58 117.24 1wdk h ASN 585 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.24 1wdk h ASN 585 Cb -0.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 38.95 1wdk h ASN 585 CO -0.05 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.70 1wdk n GLY 586 N 0.09 3.40 3.05 1.57 0.00 -0.16 -4.91 105.19 108.23 1wdk n GLY 586 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1wdk n GLY 586 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wdk s LYS 587 N -0.82 0.20 0.00 1.61 -2.85 -0.87 -1.23 119.74 115.78 1wdk s LYS 587 Ca 0.00 0.37 0.00 0.00 -1.00 0.00 0.00 55.97 55.34 1wdk s LYS 587 Cb 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 37.83 35.77 1wdk s LYS 587 CO 0.00 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.77 1wdk n GLY 588 N 3.54 2.96 0.16 0.59 0.00 -1.26 0.22 105.19 111.40 1wdk n GLY 588 Ca -0.19 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1wdk n GLY 588 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1wdk h PHE 589 N 0.00 0.61 -0.88 1.61 -1.00 -1.88 -3.46 116.94 111.96 1wdk h PHE 589 Ca 0.00 -0.34 -0.58 0.00 2.81 0.00 0.00 57.97 59.87 1wdk h PHE 589 Cb 0.00 -0.07 -0.06 0.00 3.61 0.00 0.00 35.95 39.43 1wdk h PHE 589 CO 0.00 1.16 -0.37 0.71 -1.61 0.00 0.00 178.31 178.20 1wdk s TYR 590 N -3.26 1.98 -0.05 -0.55 1.51 -1.26 -4.75 117.35 110.97 1wdk s TYR 590 Ca -0.06 -0.75 0.03 0.00 -1.01 0.00 0.00 57.07 55.28 1wdk s TYR 590 Cb 0.09 -1.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1wdk s TYR 590 CO 0.87 -0.24 -0.12 0.00 -1.11 0.00 0.00 175.55 174.94 1wdk s ALA 591 N -2.71 2.75 -0.13 3.71 0.00 0.08 -4.45 121.76 121.01 1wdk s ALA 591 Ca 0.35 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1wdk s ALA 591 Cb -0.01 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 22.10 1wdk s ALA 591 CO 0.21 0.56 -0.19 0.71 0.00 0.00 0.00 175.76 177.05 1wdk s TYR 592 N -0.77 2.36 -0.00 0.00 1.51 -0.36 -0.01 117.35 120.07 1wdk s TYR 592 Ca 0.12 -1.17 -0.00 0.00 -1.01 0.00 0.00 57.07 55.01 1wdk s TYR 592 Cb -0.11 -1.64 -0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1wdk s TYR 592 CO 0.01 -0.56 -0.00 0.39 -1.11 0.00 0.00 175.55 174.28 1wdk n GLU 593 N 4.15 0.00 0.00 -0.62 -0.58 -1.26 -4.82 120.64 117.52 1wdk n GLU 593 Ca -0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 1wdk n GLU 593 Cb 0.51 -0.72 0.00 0.00 -0.57 0.00 0.00 31.44 30.67 1wdk n GLU 593 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1wdk n LYS 601 N -2.79 0.00 -3.14 3.49 0.00 -1.26 -5.18 118.16 109.28 1wdk n LYS 601 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 57.90 1wdk n LYS 601 Cb 0.50 -0.77 -0.07 0.00 0.00 0.00 0.00 35.03 34.70 1wdk n LYS 601 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1wdk s LYS 602 N -1.89 3.91 0.09 1.64 2.20 -1.26 -4.86 119.74 119.57 1wdk s LYS 602 Ca 0.00 0.28 0.06 0.00 -0.36 0.00 0.00 55.97 55.95 1wdk s LYS 602 Cb 0.00 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 1wdk s LYS 602 CO 0.00 -0.55 -0.15 -0.51 -0.36 0.00 0.00 175.35 173.78 1wdk s LEU 603 N 2.56 2.32 -0.22 5.43 1.43 0.98 -4.97 118.68 126.20 1wdk s LEU 603 Ca 0.24 -0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 1wdk s LEU 603 Cb -0.15 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 1wdk s LEU 603 CO 0.11 -0.07 0.58 -0.69 0.23 0.00 0.00 176.35 176.51 1wdk s VAL 604 N -1.49 5.04 -0.12 -1.59 1.01 -1.26 -0.74 120.40 121.24 1wdk s VAL 604 Ca 0.03 1.05 -0.00 0.00 0.00 0.00 0.00 61.98 63.06 1wdk s VAL 604 Cb -0.09 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1wdk s VAL 604 CO 0.03 0.10 -0.09 1.51 0.00 0.00 0.00 175.10 176.65 1wdk s ASP 605 N 1.31 2.30 0.66 3.32 -4.77 -1.26 -4.95 116.67 113.28 1wdk s ASP 605 Ca 0.25 -0.35 0.33 0.00 -3.30 0.00 0.00 52.55 49.49 1wdk s ASP 605 Cb -0.16 -0.92 1.83 0.00 -1.09 0.00 0.00 42.92 42.58 1wdk s ASP 605 CO 0.09 -0.10 2.05 0.77 0.70 0.00 0.00 175.17 178.68 1wdk h SER 606 N 8.15 0.00 0.00 2.11 4.64 -1.97 -2.46 113.55 124.02 1wdk h SER 606 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1wdk h SER 606 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1wdk h SER 606 CO 0.44 0.00 0.12 -1.54 -0.87 0.00 0.00 176.83 174.98 1wdk n SER 607 N -3.05 0.46 0.09 4.97 3.41 -1.26 -0.60 113.62 117.64 1wdk n SER 607 Ca -0.02 0.68 -0.12 0.00 -0.26 0.00 0.00 58.87 59.15 1wdk n SER 607 Cb 0.31 -0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 63.49 1wdk n SER 607 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1wdk h VAL 608 N 0.00 1.51 -0.72 -3.33 2.07 -1.79 -3.30 116.25 110.70 1wdk h VAL 608 Ca 0.00 -2.86 0.16 0.00 0.82 0.00 0.00 66.70 64.82 1wdk h VAL 608 Cb 0.24 2.68 -0.12 0.00 -1.52 0.00 0.00 31.29 32.57 1wdk h VAL 608 CO 0.00 0.83 0.04 -0.07 0.02 0.00 0.00 177.57 178.40 1wdk h LEU 609 N 0.10 -0.25 0.06 2.57 3.38 -1.08 0.15 115.31 120.23 1wdk h LEU 609 Ca -0.08 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1wdk h LEU 609 Cb 1.72 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 42.75 1wdk h LEU 609 CO 0.16 -0.14 -0.12 -0.33 0.09 0.00 0.00 178.44 178.11 1wdk h GLU 610 N 0.14 -0.22 -0.73 1.13 5.08 -1.70 0.18 114.58 118.46 1wdk h GLU 610 Ca 0.39 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.84 1wdk h GLU 610 Cb 0.68 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 1wdk h GLU 610 CO -0.60 -0.15 0.41 0.28 -1.00 0.00 0.00 179.01 177.95 1wdk h VAL 611 N -0.23 0.94 0.00 3.13 2.07 -1.19 -2.61 116.25 118.36 1wdk h VAL 611 Ca 0.02 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1wdk h VAL 611 Cb 0.25 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1wdk h VAL 611 CO -0.07 0.13 -0.19 -0.07 0.02 0.00 0.00 177.57 177.39 1wdk h LEU 612 N 0.72 0.00 -0.84 2.57 3.38 -0.79 -3.37 115.31 116.98 1wdk h LEU 612 Ca 0.34 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.44 1wdk h LEU 612 Cb 0.25 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.86 1wdk h LEU 612 CO -0.21 0.13 -0.37 0.11 0.09 0.00 0.00 178.44 178.19 1wdk h LYS 613 N 0.00 -0.06 0.00 1.13 1.79 -0.24 0.29 116.57 119.48 1wdk h LYS 613 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wdk h LYS 613 Cb 1.10 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1wdk h LYS 613 CO 0.02 -0.04 0.15 -1.35 -1.08 0.00 0.00 179.45 177.14 1wdk h PRO 614 N -0.07 0.00 0.07 3.15 0.11 -1.74 -2.06 132.00 131.46 1wdk h PRO 614 Ca 0.30 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.09 1wdk h PRO 614 Cb 0.58 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 1wdk h PRO 614 CO -0.87 0.00 -1.75 0.82 -0.21 0.00 0.00 178.00 175.99 1wdk h ILE 615 N 0.00 0.86 -1.95 4.15 1.08 -0.69 -3.45 117.51 117.52 1wdk h ILE 615 Ca 0.00 -2.62 -0.52 0.00 -0.39 0.00 0.00 64.86 61.33 1wdk h ILE 615 Cb 0.30 2.54 -0.01 0.00 -3.07 0.00 0.00 36.82 36.58 1wdk h ILE 615 CO 0.00 0.71 1.49 -0.69 -0.69 0.00 0.00 178.15 178.98 1wdk s VAL 616 N -2.59 3.14 0.00 1.67 1.01 -0.78 -4.61 120.40 118.25 1wdk s VAL 616 Ca -0.11 0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1wdk s VAL 616 Cb 0.07 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1wdk s VAL 616 CO 0.81 -0.23 0.00 -1.22 0.00 0.00 0.00 175.10 174.47 1wdk n TYR 617 N 13.34 0.00 -2.58 5.22 0.53 0.14 -4.94 117.16 128.87 1wdk n TYR 617 Ca 0.30 0.00 -0.22 0.00 -1.02 0.00 0.00 57.90 56.96 1wdk n TYR 617 Cb 0.50 -0.13 0.04 0.00 -1.03 0.00 0.00 39.34 38.72 1wdk n TYR 617 CO 0.00 0.00 0.00 -1.83 -1.02 0.00 0.00 176.86 174.01 1wdk s GLU 618 N -0.36 2.49 -0.40 -0.72 1.03 -1.22 -4.99 118.70 114.53 1wdk s GLU 618 Ca 0.00 -0.70 0.05 0.00 0.03 0.00 0.00 54.97 54.35 1wdk s GLU 618 Cb 0.00 -2.44 0.44 0.00 -0.80 0.00 0.00 34.13 31.33 1wdk s GLU 618 CO 0.00 -0.79 1.31 0.94 -1.33 0.00 0.00 175.26 175.39 1wdk n GLN 619 N -2.43 3.43 -1.61 -4.83 -0.06 -1.26 -2.96 117.38 107.66 1wdk n GLN 619 Ca 0.08 -4.13 -0.49 0.00 -2.00 0.00 0.00 57.00 50.47 1wdk n GLN 619 Cb 0.60 -2.27 -0.04 0.00 -4.06 0.00 0.00 30.24 24.46 1wdk n GLN 619 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1wdk n ARG 620 N -0.67 1.45 -3.20 3.69 0.63 -0.86 -4.92 116.66 112.78 1wdk n ARG 620 Ca 0.45 0.52 -0.37 0.00 -0.92 0.00 0.00 57.85 57.54 1wdk n ARG 620 Cb 0.82 -2.12 -0.06 0.00 0.45 0.00 0.00 32.46 31.55 1wdk n ARG 620 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1wdk s ASP 621 N 0.30 7.03 0.03 6.15 1.01 -1.26 -4.63 116.67 125.29 1wdk s ASP 621 Ca 0.76 1.31 -0.09 0.00 0.71 0.00 0.00 52.55 55.23 1wdk s ASP 621 Cb -0.82 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 40.74 1wdk s ASP 621 CO 0.48 0.13 0.19 0.54 0.21 0.00 0.00 175.17 176.72 1wdk s VAL 622 N -1.37 0.10 0.35 -1.27 0.11 -1.26 -5.16 120.40 111.91 1wdk s VAL 622 Ca 0.37 -0.85 0.04 0.00 -2.93 0.00 0.00 61.98 58.61 1wdk s VAL 622 Cb -0.18 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1wdk s VAL 622 CO 0.20 -0.47 0.52 0.42 -3.33 0.00 0.00 175.10 172.44 1wdk s THR 623 N -2.33 4.31 0.37 5.04 -4.23 -1.26 -4.98 115.64 112.56 1wdk s THR 623 Ca -0.07 -0.81 0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1wdk s THR 623 Cb -0.02 -3.53 0.27 0.00 1.34 0.00 0.00 72.50 70.55 1wdk s THR 623 CO -0.03 -0.26 2.02 0.44 -0.54 0.00 0.00 174.62 176.25 1wdk h ASP 624 N 0.78 0.66 -0.29 3.99 3.32 -2.01 -1.37 116.42 121.50 1wdk h ASP 624 Ca -0.47 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.50 1wdk h ASP 624 Cb 1.25 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1wdk h ASP 624 CO 0.56 0.47 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.47 1wdk h GLU 625 N 0.78 0.63 -0.32 3.56 4.81 -2.00 -2.31 114.58 119.73 1wdk h GLU 625 Ca 0.22 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1wdk h GLU 625 Cb -0.07 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1wdk h GLU 625 CO -0.05 0.66 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.29 1wdk h ASP 626 N 0.60 0.69 -0.63 1.04 3.32 -1.66 -2.45 116.42 117.32 1wdk h ASP 626 Ca 0.12 -0.41 0.11 0.00 0.02 0.00 0.00 57.03 56.87 1wdk h ASP 626 Cb 0.39 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.67 1wdk h ASP 626 CO 0.01 0.94 0.19 0.40 -1.72 0.00 0.00 179.24 179.07 1wdk h ILE 627 N 0.43 0.70 -0.68 0.35 2.04 -1.03 0.32 117.51 119.64 1wdk h ILE 627 Ca 0.07 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1wdk h ILE 627 Cb 0.69 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1wdk h ILE 627 CO 0.05 0.06 0.34 0.40 0.00 0.00 0.00 178.15 179.00 1wdk h ILE 628 N 0.35 1.22 -0.28 -0.67 2.04 -1.31 -2.50 117.51 116.36 1wdk h ILE 628 Ca 0.33 -0.61 -0.16 0.00 1.00 0.00 0.00 64.86 65.42 1wdk h ILE 628 Cb 0.46 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1wdk h ILE 628 CO -0.36 0.26 -0.45 0.78 0.00 0.00 0.00 178.15 178.37 1wdk h ASN 629 N 0.94 0.77 -0.21 1.72 2.35 -0.68 0.46 115.58 120.93 1wdk h ASN 629 Ca 0.24 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1wdk h ASN 629 Cb 0.09 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1wdk h ASN 629 CO -0.03 1.11 0.12 -0.50 -1.65 0.00 0.00 177.43 176.47 1wdk h TRP 630 N 0.57 0.32 0.00 1.19 4.06 -0.24 -0.72 115.95 121.14 1wdk h TRP 630 Ca 0.03 -0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.90 1wdk h TRP 630 Cb 1.01 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.05 1wdk h TRP 630 CO 0.05 0.25 -0.56 0.52 -3.56 0.00 0.00 178.44 175.14 1wdk h MET 631 N 0.34 0.00 -0.17 0.49 2.86 -1.23 -3.38 114.93 113.83 1wdk h MET 631 Ca 0.09 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.57 1wdk h MET 631 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1wdk h MET 631 CO -0.01 0.60 -0.55 0.52 1.06 0.00 0.00 176.91 178.52 1wdk h MET 632 N -1.00 0.51 -0.51 1.72 2.86 -0.06 -3.22 114.93 115.24 1wdk h MET 632 Ca -0.12 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 1wdk h MET 632 Cb 0.82 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 1wdk h MET 632 CO -0.07 0.93 0.30 0.82 1.06 0.00 0.00 176.91 179.94 1wdk h ILE 633 N 0.39 1.16 -0.58 -1.22 2.04 -1.32 -0.06 117.51 117.93 1wdk h ILE 633 Ca 0.01 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1wdk h ILE 633 Cb 1.09 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1wdk h ILE 633 CO 0.10 0.17 0.21 -0.65 0.00 0.00 0.00 178.15 177.98 1wdk h PRO 634 N 0.68 0.87 -0.06 2.37 0.11 -1.76 -0.97 132.00 133.24 1wdk h PRO 634 Ca 0.18 -0.17 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1wdk h PRO 634 Cb 0.02 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 1wdk h PRO 634 CO -0.03 0.77 0.03 1.25 -0.21 0.00 0.00 178.00 179.80 1wdk h LEU 635 N 0.80 0.07 -0.58 2.35 6.46 -1.51 -1.07 115.31 121.84 1wdk h LEU 635 Ca 0.19 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 1wdk h LEU 635 Cb 0.23 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 1wdk h LEU 635 CO -0.01 0.14 0.19 0.00 -0.62 0.00 0.00 178.44 178.14 1wdk h LEU 637 N 0.82 0.88 -1.34 0.00 3.38 -1.10 -1.53 115.31 116.42 1wdk h LEU 637 Ca 0.19 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1wdk h LEU 637 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1wdk h LEU 637 CO -0.01 1.03 -0.24 -0.08 0.09 0.00 0.00 178.44 179.23 1wdk h GLU 638 N 0.78 0.13 -0.32 1.13 4.57 -1.03 0.09 114.58 119.93 1wdk h GLU 638 Ca 0.12 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.19 1wdk h GLU 638 Cb 0.67 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1wdk h GLU 638 CO 0.05 0.37 -0.10 1.15 -1.18 0.00 0.00 179.01 179.31 1wdk h THR 639 N 0.12 1.28 -0.91 0.32 2.02 -0.88 -1.30 112.91 113.57 1wdk h THR 639 Ca 0.02 -1.16 0.02 0.00 0.77 0.00 0.00 66.41 66.07 1wdk h THR 639 Cb 0.50 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 1wdk h THR 639 CO 0.03 0.37 0.60 0.58 0.37 0.00 0.00 175.52 177.48 1wdk h VAL 640 N 0.40 1.19 -0.55 3.16 2.07 -0.48 -1.05 116.25 121.00 1wdk h VAL 640 Ca 0.08 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 1wdk h VAL 640 Cb 0.60 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1wdk h VAL 640 CO 0.04 0.21 -0.04 0.03 0.02 0.00 0.00 177.57 177.83 1wdk h ARG 641 N 1.18 0.97 -0.86 1.57 3.08 -0.65 -0.29 114.38 119.38 1wdk h ARG 641 Ca 0.35 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1wdk h ARG 641 Cb -0.05 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 1wdk h ARG 641 CO -0.09 0.98 0.45 0.00 -1.07 0.00 0.00 179.97 180.23 1wdk h LEU 643 N 1.22 0.19 -1.08 0.00 6.46 -0.77 -0.14 115.31 121.19 1wdk h LEU 643 Ca 0.30 -0.28 -0.05 0.00 -0.12 0.00 0.00 57.88 57.72 1wdk h LEU 643 Cb 0.07 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1wdk h LEU 643 CO -0.04 0.42 0.08 -0.33 -0.62 0.00 0.00 178.44 177.95 1wdk h GLU 644 N -0.06 0.73 0.00 1.25 5.08 -0.71 -1.49 114.58 119.38 1wdk h GLU 644 Ca 0.03 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1wdk h GLU 644 Cb 0.32 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1wdk h GLU 644 CO 0.00 0.69 0.00 -0.25 -1.00 0.00 0.00 179.01 178.45 1wdk n ASP 645 N -4.27 0.47 0.00 1.42 8.00 0.13 -4.89 116.55 117.40 1wdk n ASP 645 Ca 0.03 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1wdk n ASP 645 Cb 0.24 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 1wdk n ASP 645 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wdk n GLY 646 N 0.71 0.50 0.33 0.44 0.00 -0.56 -4.91 105.19 101.71 1wdk n GLY 646 Ca 0.04 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.71 1wdk n GLY 646 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wdk h ILE 647 N 0.00 1.01 -4.08 -0.61 5.03 -1.28 -3.40 117.51 114.18 1wdk h ILE 647 Ca 0.00 -0.17 -0.43 0.00 -0.12 0.00 0.00 64.86 64.13 1wdk h ILE 647 Cb 0.00 0.46 -0.27 0.00 -3.03 0.00 0.00 36.82 33.98 1wdk h ILE 647 CO 0.00 0.09 -0.79 -0.69 -0.68 0.00 0.00 178.15 176.08 1wdk s VAL 648 N -5.46 0.97 0.04 1.67 1.01 -1.24 -0.94 120.40 116.46 1wdk s VAL 648 Ca -0.08 -0.70 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 1wdk s VAL 648 Cb 0.18 -0.85 -0.17 0.00 0.00 0.00 0.00 36.38 35.55 1wdk s VAL 648 CO 0.74 0.14 1.24 -0.08 0.00 0.00 0.00 175.10 177.14 1wdk h GLU 649 N 5.46 0.51 -5.70 2.72 4.81 -1.84 -3.43 114.58 117.11 1wdk h GLU 649 Ca -0.35 -0.40 -0.52 0.00 -0.13 0.00 0.00 59.36 57.97 1wdk h GLU 649 Cb 1.17 0.08 -0.14 0.00 0.63 0.00 0.00 28.75 30.49 1wdk h GLU 649 CO 0.47 1.02 -0.71 0.95 -0.73 0.00 0.00 179.01 180.02 1wdk s THR 650 N -3.74 1.89 0.27 0.32 -4.23 -1.26 -5.04 115.64 103.86 1wdk s THR 650 Ca -0.13 -2.21 -0.02 0.00 -1.18 0.00 0.00 61.69 58.15 1wdk s THR 650 Cb 0.06 -2.34 0.17 0.00 1.34 0.00 0.00 72.50 71.73 1wdk s THR 650 CO 0.82 -0.39 1.84 0.00 -0.54 0.00 0.00 174.62 176.35 1wdk h ALA 651 N 2.32 1.22 -0.32 3.99 0.00 -1.91 -2.53 119.26 122.03 1wdk h ALA 651 Ca -0.40 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.37 1wdk h ALA 651 Cb 1.24 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1wdk h ALA 651 CO 0.65 0.56 0.11 0.00 0.00 0.00 0.00 179.25 180.56 1wdk h ALA 652 N 1.34 0.36 -0.33 0.00 0.00 -1.95 0.42 119.26 119.11 1wdk h ALA 652 Ca 0.20 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1wdk h ALA 652 Cb 0.22 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1wdk h ALA 652 CO -0.01 -0.29 0.18 0.93 0.00 0.00 0.00 179.25 180.05 1wdk h GLU 653 N 0.25 0.35 -0.28 0.00 5.08 -1.87 0.80 114.58 118.91 1wdk h GLU 653 Ca 0.14 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1wdk h GLU 653 Cb 0.12 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1wdk h GLU 653 CO -0.15 0.23 0.14 0.00 -1.00 0.00 0.00 179.01 178.24 1wdk h ALA 654 N 1.16 0.35 -0.42 3.43 0.00 -1.02 0.44 119.26 123.20 1wdk h ALA 654 Ca 0.13 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1wdk h ALA 654 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1wdk h ALA 654 CO -0.08 -0.10 -0.07 -0.44 0.00 0.00 0.00 179.25 178.56 1wdk h ASP 655 N 0.32 0.79 0.49 0.00 5.19 -0.75 -2.63 116.42 119.84 1wdk h ASP 655 Ca 0.10 -0.35 -0.08 0.00 -0.62 0.00 0.00 57.03 56.08 1wdk h ASP 655 Cb 0.09 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 1wdk h ASP 655 CO -0.01 0.95 -0.40 0.24 -3.12 0.00 0.00 179.24 176.90 1wdk h MET 656 N 0.62 0.00 -0.81 3.56 2.86 -0.76 0.60 114.93 121.00 1wdk h MET 656 Ca 0.11 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1wdk h MET 656 Cb 0.59 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 1wdk h MET 656 CO 0.04 0.40 0.54 0.78 1.06 0.00 0.00 176.91 179.72 1wdk h GLY 657 N 1.39 1.14 1.58 8.32 0.00 -0.58 0.58 103.07 115.51 1wdk h GLY 657 Ca -0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 47.33 46.66 1wdk h GLY 657 CO 0.05 0.41 -1.03 1.41 0.00 0.00 0.00 176.54 177.38 1wdk h LEU 658 N 1.10 0.49 -0.65 3.11 3.38 -1.08 0.12 115.31 121.78 1wdk h LEU 658 Ca 0.30 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1wdk h LEU 658 Cb -0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1wdk h LEU 658 CO -0.07 1.26 0.31 0.58 0.09 0.00 0.00 178.44 180.61 1wdk h VAL 659 N 0.18 1.22 0.12 1.22 2.07 -0.44 -0.01 116.25 120.62 1wdk h VAL 659 Ca -0.10 -0.63 -0.31 0.00 0.82 0.00 0.00 66.70 66.49 1wdk h VAL 659 Cb 1.70 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1wdk h VAL 659 CO 0.18 0.26 -1.54 1.88 0.02 0.00 0.00 177.57 178.37 1wdk h TYR 660 N 0.90 0.48 0.00 1.57 0.99 -0.93 -3.21 116.97 116.78 1wdk h TYR 660 Ca 0.22 -0.35 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1wdk h TYR 660 Cb 0.12 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.83 1wdk h TYR 660 CO 0.00 1.40 -1.43 0.41 -0.00 0.00 0.00 178.16 178.54 1wdk n GLY 661 N 1.68 -1.06 0.00 3.88 0.00 0.03 -3.94 105.19 105.77 1wdk n GLY 661 Ca -0.17 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1wdk n GLY 661 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1wdk n ILE 662 N -1.96 0.00 -2.56 -0.61 3.06 -0.07 -5.01 119.36 112.21 1wdk n ILE 662 Ca 0.00 -0.45 -0.07 0.00 -2.50 0.00 0.00 62.75 59.73 1wdk n ILE 662 Cb 0.46 0.95 0.01 0.00 0.54 0.00 0.00 39.64 41.61 1wdk n ILE 662 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1wdk n GLY 663 N 1.14 0.32 3.71 4.50 0.00 -0.90 -4.93 105.19 109.04 1wdk n GLY 663 Ca 0.00 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 1wdk n GLY 663 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wdk n PHE 664 N -3.59 2.66 -1.35 1.61 7.35 -1.06 -4.51 117.46 118.57 1wdk n PHE 664 Ca -0.03 0.17 -0.55 0.00 -0.76 0.00 0.00 57.45 56.28 1wdk n PHE 664 Cb 0.54 -2.62 -0.10 0.00 0.35 0.00 0.00 39.48 37.65 1wdk n PHE 664 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1wdk n PRO 665 N 3.22 0.50 -0.30 -7.13 -0.02 -1.26 -4.76 135.00 125.25 1wdk n PRO 665 Ca 0.14 0.13 0.07 0.00 -2.02 0.00 0.00 63.50 61.82 1wdk n PRO 665 Cb 0.34 -1.96 0.22 0.00 -0.02 0.00 0.00 33.50 32.09 1wdk n PRO 665 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1wdk h LEU 666 N 10.75 0.55 0.00 2.45 3.38 -1.91 0.16 115.31 130.69 1wdk h LEU 666 Ca -0.18 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1wdk h LEU 666 Cb 1.37 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1wdk h LEU 666 CO 1.07 0.24 0.00 2.22 0.09 0.00 0.00 178.44 182.06 1wdk n PHE 667 N -4.86 0.00 0.22 1.13 1.16 -1.26 -1.43 117.46 112.42 1wdk n PHE 667 Ca 0.17 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.78 1wdk n PHE 667 Cb 0.43 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.32 1wdk n PHE 667 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1wdk n ARG 668 N -0.79 -0.25 0.00 3.97 1.74 0.54 -4.24 116.66 117.62 1wdk n ARG 668 Ca 0.08 -0.82 0.00 0.00 -0.77 0.00 0.00 57.85 56.34 1wdk n ARG 668 Cb 0.03 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1wdk n ARG 668 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wdk n GLY 669 N 0.29 1.02 0.00 -0.13 0.00 -0.51 -3.96 105.19 101.90 1wdk n GLY 669 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1wdk n GLY 669 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wdk n GLY 670 N -0.81 2.10 0.08 -0.02 0.00 -1.26 -4.76 105.19 100.52 1wdk n GLY 670 Ca 0.00 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 1wdk n GLY 670 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdk h ALA 671 N 0.00 0.10 -0.39 4.61 0.00 -1.87 -1.24 119.26 120.47 1wdk h ALA 671 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1wdk h ALA 671 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1wdk h ALA 671 CO 0.00 -0.23 -0.25 -0.07 0.00 0.00 0.00 179.25 178.70 1wdk h LEU 672 N -0.14 0.83 -1.27 0.00 3.38 -1.92 -2.53 115.31 113.66 1wdk h LEU 672 Ca 0.02 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1wdk h LEU 672 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1wdk h LEU 672 CO 0.00 1.04 -0.23 -0.09 0.09 0.00 0.00 178.44 179.26 1wdk h ARG 673 N 0.70 0.00 -0.29 1.13 2.43 -1.85 -1.94 114.38 114.57 1wdk h ARG 673 Ca 0.09 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1wdk h ARG 673 Cb 0.78 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1wdk h ARG 673 CO 0.06 0.23 -0.14 -0.92 -1.51 0.00 0.00 179.97 177.69 1wdk h TYR 674 N 0.00 0.69 -0.95 2.20 3.20 -0.81 -0.07 116.97 121.23 1wdk h TYR 674 Ca -0.00 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.69 1wdk h TYR 674 Cb 0.67 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 1wdk h TYR 674 CO 0.00 0.84 0.58 0.82 -1.64 0.00 0.00 178.16 178.76 1wdk h ILE 675 N 0.34 1.26 -0.62 1.81 2.04 -1.13 -0.96 117.51 120.25 1wdk h ILE 675 Ca 0.06 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1wdk h ILE 675 Cb 0.66 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1wdk h ILE 675 CO 0.04 0.27 0.23 0.44 0.00 0.00 0.00 178.15 179.13 1wdk h ASP 676 N 1.31 0.84 -0.29 1.72 5.19 -1.01 0.37 116.42 124.54 1wdk h ASP 676 Ca 0.34 -0.12 -0.05 0.00 -0.62 0.00 0.00 57.03 56.58 1wdk h ASP 676 Cb -0.07 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.21 1wdk h ASP 676 CO -0.07 0.77 -0.02 0.28 -3.12 0.00 0.00 179.24 177.08 1wdk h SER 677 N 0.89 0.53 -0.07 6.45 0.02 -0.00 -2.97 113.55 118.40 1wdk h SER 677 Ca 0.21 -0.33 -0.15 0.00 -0.84 0.00 0.00 61.79 60.68 1wdk h SER 677 Cb 0.21 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1wdk h SER 677 CO -0.02 0.73 -0.46 0.40 -1.14 0.00 0.00 176.83 176.35 1wdk h ILE 678 N 0.32 1.30 0.00 3.27 2.04 -0.99 -3.49 117.51 119.96 1wdk h ILE 678 Ca 0.08 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.29 1wdk h ILE 678 Cb 0.48 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1wdk h ILE 678 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 178.15 179.30 1wdk n GLY 679 N 0.11 2.54 0.35 5.37 0.00 0.13 -4.62 105.19 109.07 1wdk n GLY 679 Ca -0.02 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 1wdk n GLY 679 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wdk h VAL 680 N 0.00 0.22 -0.31 1.61 2.07 -1.81 0.95 116.25 118.99 1wdk h VAL 680 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1wdk h VAL 680 Cb 0.00 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 29.93 1wdk h VAL 680 CO 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.50 1wdk h ALA 681 N 0.46 0.19 -0.88 1.67 0.00 -1.91 0.14 119.26 118.93 1wdk h ALA 681 Ca 0.12 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1wdk h ALA 681 Cb 0.57 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1wdk h ALA 681 CO -0.44 -0.47 0.58 0.93 0.00 0.00 0.00 179.25 179.84 1wdk h GLU 682 N -0.01 1.15 -0.46 0.00 3.07 -1.52 -0.83 114.58 115.97 1wdk h GLU 682 Ca 0.15 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 1wdk h GLU 682 Cb 0.24 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1wdk h GLU 682 CO -0.32 0.76 0.08 0.35 -1.40 0.00 0.00 179.01 178.48 1wdk h PHE 683 N 1.18 0.80 -0.62 4.33 3.57 0.19 0.60 116.94 126.99 1wdk h PHE 683 Ca 0.32 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1wdk h PHE 683 Cb -0.13 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.36 1wdk h PHE 683 CO -0.01 0.75 0.27 0.28 -2.23 0.00 0.00 178.31 177.37 1wdk h VAL 684 N 0.62 1.23 -0.09 1.41 2.07 -0.43 0.12 116.25 121.18 1wdk h VAL 684 Ca 0.14 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1wdk h VAL 684 Cb 0.38 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1wdk h VAL 684 CO 0.01 0.27 0.06 0.00 0.02 0.00 0.00 177.57 177.92 1wdk h ALA 685 N 1.11 0.12 -0.59 1.67 0.00 -0.93 -1.48 119.26 119.17 1wdk h ALA 685 Ca 0.21 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1wdk h ALA 685 Cb 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1wdk h ALA 685 CO -0.02 -0.37 0.27 1.25 0.00 0.00 0.00 179.25 180.38 1wdk h LEU 686 N 0.09 0.35 -0.19 0.00 6.46 -0.49 -2.29 115.31 119.25 1wdk h LEU 686 Ca 0.03 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1wdk h LEU 686 Cb 0.03 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1wdk h LEU 686 CO -0.01 0.23 0.10 0.00 -0.62 0.00 0.00 178.44 178.14 1wdk h ALA 687 N 1.35 0.23 -0.79 1.25 0.00 -0.35 -2.18 119.26 118.77 1wdk h ALA 687 Ca 0.28 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.29 1wdk h ALA 687 Cb 0.25 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1wdk h ALA 687 CO -0.22 -0.32 0.52 -0.44 0.00 0.00 0.00 179.25 178.79 1wdk h ASP 688 N 0.21 0.64 -0.32 0.00 3.32 -0.77 -0.44 116.42 119.06 1wdk h ASP 688 Ca 0.07 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.24 1wdk h ASP 688 Cb 0.01 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1wdk h ASP 688 CO -0.04 0.38 0.31 1.56 -1.72 0.00 0.00 179.24 179.73 1wdk h GLN 689 N 0.71 0.00 -0.36 3.56 4.20 -0.86 0.30 115.11 122.66 1wdk h GLN 689 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1wdk h GLN 689 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1wdk h GLN 689 CO -0.14 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.68 1wdk n TYR 690 N -3.91 0.97 -0.11 2.96 4.02 -0.20 -4.66 117.16 116.23 1wdk n TYR 690 Ca 0.05 -0.73 0.27 0.00 -0.01 0.00 0.00 57.90 57.48 1wdk n TYR 690 Cb 0.47 -0.25 0.66 0.00 -0.02 0.00 0.00 39.34 40.20 1wdk n TYR 690 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wdk h ALA 691 N 2.32 2.63 0.00 -0.72 0.00 -0.11 0.29 119.26 123.67 1wdk h ALA 691 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1wdk h ALA 691 Cb 1.30 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1wdk h ALA 691 CO 0.19 -1.21 -0.14 1.05 0.00 0.00 0.00 179.25 179.14 1wdk h GLU 692 N 0.00 0.00 0.00 0.00 4.11 -1.83 -2.87 114.58 114.00 1wdk h GLU 692 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 1wdk h GLU 692 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 1wdk h GLU 692 CO -0.00 0.14 0.00 -0.07 0.07 0.00 0.00 179.01 179.14 1wdk h LEU 693 N 0.00 0.00 0.00 3.06 3.38 -0.81 -3.49 115.31 117.46 1wdk h LEU 693 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wdk h LEU 693 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1wdk h LEU 693 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1wdk n GLY 694 N -0.03 0.82 0.23 0.83 0.00 -1.08 -4.83 105.19 101.13 1wdk n GLY 694 Ca 0.02 -2.05 0.09 0.00 0.00 0.00 0.00 46.02 44.08 1wdk n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdk h ALA 695 N 0.00 1.16 0.00 4.61 0.00 -1.87 -2.80 119.26 120.35 1wdk h ALA 695 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wdk h ALA 695 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1wdk h ALA 695 CO 0.00 0.28 -0.02 -0.07 0.00 0.00 0.00 179.25 179.44 1wdk h LEU 696 N 0.00 0.00 -2.78 0.00 3.38 -1.88 -2.34 115.31 111.69 1wdk h LEU 696 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wdk h LEU 696 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1wdk h LEU 696 CO 0.03 0.02 0.00 -1.22 0.09 0.00 0.00 178.44 177.36 1wdk n TYR 697 N -3.20 0.84 -3.09 1.13 4.02 -1.06 -4.40 117.16 111.41 1wdk n TYR 697 Ca -0.02 -0.49 -0.42 0.00 -0.01 0.00 0.00 57.90 56.96 1wdk n TYR 697 Cb 0.18 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.43 1wdk n TYR 697 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1wdk s HIS 698 N -1.01 3.12 0.99 -0.72 3.76 -0.88 -4.46 115.29 116.09 1wdk s HIS 698 Ca 0.42 0.28 -0.12 0.00 -0.15 0.00 0.00 55.06 55.49 1wdk s HIS 698 Cb 0.22 -3.23 0.12 0.00 1.11 0.00 0.00 32.58 30.80 1wdk s HIS 698 CO 0.29 -0.70 0.69 -2.30 -0.85 0.00 0.00 174.74 171.87 1wdk n PRO 699 N 6.15 -0.78 -3.67 8.40 -0.02 -1.26 -4.99 135.00 138.83 1wdk n PRO 699 Ca -0.01 -0.18 -0.22 0.00 -2.02 0.00 0.00 63.50 61.07 1wdk n PRO 699 Cb 0.48 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 31.89 1wdk n PRO 699 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1wdk s THR 700 N -2.46 5.12 0.17 3.45 -4.23 -1.26 -4.94 115.64 111.48 1wdk s THR 700 Ca 0.62 -0.75 -0.14 0.00 -1.18 0.00 0.00 61.69 60.24 1wdk s THR 700 Cb -0.21 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 69.85 1wdk s THR 700 CO 0.64 -0.43 1.80 0.00 -0.54 0.00 0.00 174.62 176.09 1wdk h ALA 701 N 0.96 0.59 -0.55 3.99 0.00 -1.99 0.84 119.26 123.11 1wdk h ALA 701 Ca -0.51 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1wdk h ALA 701 Cb 1.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1wdk h ALA 701 CO 0.61 -0.07 0.36 -0.22 0.00 0.00 0.00 179.25 179.93 1wdk h LYS 702 N 0.51 0.69 0.18 0.00 1.63 -1.99 0.79 116.57 118.39 1wdk h LYS 702 Ca 0.19 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 1wdk h LYS 702 Cb 0.06 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 1wdk h LYS 702 CO -0.11 0.45 -0.09 1.25 -3.45 0.00 0.00 179.45 177.50 1wdk h LEU 703 N 0.71 -0.21 -1.08 5.20 6.46 -1.65 -1.56 115.31 123.17 1wdk h LEU 703 Ca 0.21 -0.31 0.15 0.00 -0.12 0.00 0.00 57.88 57.81 1wdk h LEU 703 Cb -0.03 0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 39.87 1wdk h LEU 703 CO -0.05 0.26 0.62 0.03 -0.62 0.00 0.00 178.44 178.68 1wdk h ARG 704 N -0.74 0.81 0.37 1.25 3.08 -0.52 0.12 114.38 118.74 1wdk h ARG 704 Ca -0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1wdk h ARG 704 Cb 0.51 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1wdk h ARG 704 CO 0.04 0.53 -0.18 1.49 -1.07 0.00 0.00 179.97 180.79 1wdk h GLU 705 N 0.83 -0.48 0.00 0.04 4.81 -0.73 -2.43 114.58 116.62 1wdk h GLU 705 Ca 0.52 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.78 1wdk h GLU 705 Cb 0.71 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1wdk h GLU 705 CO -0.29 -0.25 0.00 0.00 -0.73 0.00 0.00 179.01 177.73 1wdk h MET 706 N -0.60 0.00 -0.13 1.92 -0.00 -0.54 -1.30 114.93 114.28 1wdk h MET 706 Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.56 1wdk h MET 706 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.03 1wdk h MET 706 CO 0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 176.91 176.68 1wdk h ALA 707 N 2.05 1.23 0.03 -3.00 0.00 -0.32 0.28 119.26 119.53 1wdk h ALA 707 Ca 0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 54.91 54.25 1wdk h ALA 707 Cb 0.36 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1wdk h ALA 707 CO 0.00 0.52 -1.84 1.63 0.00 0.00 0.00 179.25 179.56 1wdk n LYS 708 N -4.10 0.67 0.00 0.00 5.02 -0.65 -3.99 118.16 115.11 1wdk n LYS 708 Ca -0.01 0.26 0.05 0.00 -2.02 0.00 0.00 58.31 56.59 1wdk n LYS 708 Cb 0.41 -1.75 0.27 0.00 -0.02 0.00 0.00 35.03 33.94 1wdk n LYS 708 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wdk n ASN 709 N -3.13 0.00 -2.30 4.39 3.02 -0.58 -4.86 115.26 111.80 1wdk n ASN 709 Ca -0.22 -1.70 -0.18 0.00 -0.03 0.00 0.00 54.58 52.45 1wdk n ASN 709 Cb 1.06 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 40.24 1wdk n ASN 709 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wdk n GLY 710 N 0.63 -0.32 3.93 7.41 0.00 -1.07 -5.00 105.19 110.77 1wdk n GLY 710 Ca 0.07 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1wdk n GLY 710 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wdk s GLN 711 N -5.24 3.52 0.17 1.61 -0.21 0.06 -5.06 119.66 114.52 1wdk s GLN 711 Ca 0.15 -0.33 -0.03 0.00 0.02 0.00 0.00 55.36 55.17 1wdk s GLN 711 Cb -0.07 -2.80 -0.03 0.00 1.00 0.00 0.00 33.01 31.11 1wdk s GLN 711 CO 0.18 0.36 0.14 -1.54 -2.12 0.00 0.00 175.29 172.31 1wdk s SER 712 N -3.30 0.19 0.24 5.90 1.04 -1.26 -4.61 113.70 111.90 1wdk s SER 712 Ca 0.39 -1.20 0.08 0.00 0.48 0.00 0.00 55.95 55.70 1wdk s SER 712 Cb -0.11 0.36 0.24 0.00 0.10 0.00 0.00 66.02 66.62 1wdk s SER 712 CO 0.30 -0.82 1.54 -0.26 0.98 0.00 0.00 173.24 174.99 1wdk h PHE 713 N 2.70 0.10 0.00 5.02 -1.00 -1.99 -3.38 116.94 118.39 1wdk h PHE 713 Ca -0.34 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.39 1wdk h PHE 713 Cb 1.22 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.77 1wdk h PHE 713 CO 0.40 0.73 -0.95 1.19 -1.61 0.00 0.00 178.31 178.07 1wdk n PHE 714 N -3.76 0.00 0.00 -0.55 3.01 -1.26 -4.86 117.46 110.04 1wdk n PHE 714 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1wdk n PHE 714 Cb 0.67 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.14 1wdk n PHE 714 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18