#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 0.68 -2.41 3.17 2.04 -1.81 -3.41 117.51 115.77 1wdk h ILE 2 Ca 0.00 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 1wdk h ILE 2 Cb 0.00 -0.04 -0.24 0.00 -0.74 0.00 0.00 36.82 35.80 1wdk h ILE 2 CO 0.00 0.12 -0.15 -0.47 0.00 0.00 0.00 178.15 177.65 1wdk s TYR 3 N -5.74 -0.73 -0.22 1.37 5.04 -1.06 -4.95 117.35 111.07 1wdk s TYR 3 Ca -0.10 1.57 -0.03 0.00 -2.44 0.00 0.00 57.07 56.07 1wdk s TYR 3 Cb 0.25 0.36 0.07 0.00 0.35 0.00 0.00 41.96 42.98 1wdk s TYR 3 CO 0.80 -0.38 0.05 -2.00 -1.34 0.00 0.00 175.55 172.68 1wdk s GLU 4 N 1.18 0.61 0.00 4.97 2.12 -1.26 -0.67 118.70 125.65 1wdk s GLU 4 Ca -0.07 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 54.76 1wdk s GLU 4 Cb -0.06 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.30 1wdk s GLU 4 CO -0.11 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.30 1wdk n GLY 5 N 5.05 6.74 0.47 -1.50 0.00 0.00 -5.03 105.19 110.92 1wdk n GLY 5 Ca -0.08 -2.01 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 1.50 0.00 1.61 5.02 -1.26 -4.57 118.16 120.45 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 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.32 1.53 -2.72 7.82 0.00 -1.26 -1.83 120.51 124.38 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 0.35 0.13 -0.13 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.44 0.94 0.02 0.00 1.01 -1.26 -0.49 121.20 119.97 1wdk s ILE 8 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1wdk s ILE 8 Cb 0.00 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 1wdk s ILE 8 CO 0.00 -0.14 -0.04 0.42 0.00 0.00 0.00 174.94 175.18 1wdk s THR 9 N -1.04 0.23 -0.27 2.92 -4.23 -0.81 -0.82 115.64 111.63 1wdk s THR 9 Ca -0.02 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1wdk s THR 9 Cb -0.09 -0.29 0.08 0.00 1.34 0.00 0.00 72.50 73.54 1wdk s THR 9 CO 0.01 -0.24 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.16 1wdk s VAL 10 N -0.85 1.59 -0.11 2.29 1.01 0.16 -0.64 120.40 123.85 1wdk s VAL 10 Ca -0.08 -1.51 -0.03 0.00 0.00 0.00 0.00 61.98 60.37 1wdk s VAL 10 Cb -0.06 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1wdk s VAL 10 CO -0.00 -0.32 -0.01 -0.89 0.00 0.00 0.00 175.10 173.88 1wdk s THR 11 N 1.32 4.16 0.29 3.92 2.01 -0.26 -2.10 115.64 124.99 1wdk s THR 11 Ca 0.01 -0.29 -0.28 0.00 0.31 0.00 0.00 61.69 61.44 1wdk s THR 11 Cb -0.19 -2.78 -0.09 0.00 0.01 0.00 0.00 72.50 69.45 1wdk s THR 11 CO -0.10 0.56 1.01 0.00 -0.69 0.00 0.00 174.62 175.39 1wdk s ALA 12 N -0.40 3.30 0.00 7.40 0.00 -1.26 -0.83 121.76 129.97 1wdk s ALA 12 Ca 0.07 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1wdk s ALA 12 Cb -0.12 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1wdk s ALA 12 CO 0.02 0.03 0.00 1.28 0.00 0.00 0.00 175.76 177.09 1wdk n LEU 13 N 1.00 0.00 -4.77 0.00 4.77 0.55 -4.91 117.00 113.65 1wdk n LEU 13 Ca -0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 1wdk n LEU 13 Cb 0.47 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.66 1wdk n LEU 13 CO 0.50 0.00 0.69 -1.83 -1.33 0.00 0.00 177.39 175.42 1wdk s GLU 14 N 0.91 2.02 -0.95 3.23 -1.05 -1.26 -4.01 118.70 117.60 1wdk s GLU 14 Ca 0.00 0.91 -0.08 0.00 -0.15 0.00 0.00 54.97 55.65 1wdk s GLU 14 Cb 0.00 -1.89 0.07 0.00 -0.44 0.00 0.00 34.13 31.87 1wdk s GLU 14 CO 0.00 -1.73 0.29 0.43 0.95 0.00 0.00 175.26 175.20 1wdk n SER 15 N -3.55 -2.46 0.00 0.83 7.64 -1.26 -0.31 113.62 114.51 1wdk n SER 15 Ca 0.08 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1wdk n SER 15 Cb 0.54 -2.12 0.00 0.00 -1.01 0.00 0.00 64.21 61.62 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 -0.88 0.86 3.77 0.23 0.00 -1.26 -4.68 105.19 103.23 1wdk n GLY 16 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.50 3.41 0.06 -0.61 1.01 0.58 -1.02 121.20 121.13 1wdk s ILE 17 Ca 0.00 1.28 0.07 0.00 0.00 0.00 0.00 60.65 62.00 1wdk s ILE 17 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 1wdk s ILE 17 CO 0.00 0.20 -0.18 0.54 0.00 0.00 0.00 174.94 175.50 1wdk s VAL 18 N -1.33 1.47 -0.22 2.92 0.11 0.64 -0.33 120.40 123.66 1wdk s VAL 18 Ca 0.51 -1.25 -0.01 0.00 -2.93 0.00 0.00 61.98 58.30 1wdk s VAL 18 Cb -0.30 -1.32 0.01 0.00 -1.53 0.00 0.00 36.38 33.25 1wdk s VAL 18 CO 0.38 0.04 -0.11 -0.70 -3.33 0.00 0.00 175.10 171.38 1wdk s GLU 19 N -1.42 3.03 -0.47 1.54 2.12 -0.01 -0.79 118.70 122.70 1wdk s GLU 19 Ca 0.05 -0.83 -0.16 0.00 0.36 0.00 0.00 54.97 54.39 1wdk s GLU 19 Cb -0.09 -2.84 0.07 0.00 0.26 0.00 0.00 34.13 31.53 1wdk s GLU 19 CO 0.02 -0.28 0.41 -1.17 -0.54 0.00 0.00 175.26 173.70 1wdk s LEU 20 N 1.35 5.61 -0.11 2.70 0.20 0.54 -1.10 118.68 127.87 1wdk s LEU 20 Ca 0.03 -1.32 -0.04 0.00 0.69 0.00 0.00 54.13 53.50 1wdk s LEU 20 Cb -0.15 -2.20 -0.03 0.00 -0.43 0.00 0.00 46.19 43.38 1wdk s LEU 20 CO -0.07 -0.66 0.02 -0.75 -0.29 0.00 0.00 176.35 174.60 1wdk s LYS 21 N 1.68 3.29 -0.23 1.98 2.20 0.19 -1.58 119.74 127.27 1wdk s LYS 21 Ca 0.04 -0.37 -0.16 0.00 -0.36 0.00 0.00 55.97 55.12 1wdk s LYS 21 Cb -0.24 -2.93 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1wdk s LYS 21 CO 0.07 0.59 0.41 -0.06 -0.36 0.00 0.00 175.35 176.00 1wdk s PHE 22 N -0.55 3.33 -0.46 4.03 0.08 0.20 -1.92 117.98 122.68 1wdk s PHE 22 Ca 0.10 0.58 0.07 0.00 0.12 0.00 0.00 56.93 57.80 1wdk s PHE 22 Cb -0.12 -2.57 0.18 0.00 -0.57 0.00 0.00 43.02 39.95 1wdk s PHE 22 CO 0.02 -0.10 0.67 0.34 -0.10 0.00 0.00 175.22 176.05 1wdk s ASP 23 N 1.25 -1.34 -0.82 1.36 3.68 0.35 0.35 116.67 121.50 1wdk s ASP 23 Ca 0.19 -1.35 -0.25 0.00 2.13 0.00 0.00 52.55 53.27 1wdk s ASP 23 Cb -0.15 1.84 -0.07 0.00 -1.45 0.00 0.00 42.92 43.08 1wdk s ASP 23 CO 0.09 -0.11 2.10 -0.22 0.13 0.00 0.00 175.17 177.15 1wdk s LEU 24 N 1.30 3.10 0.14 -1.34 2.96 -1.24 -4.28 118.68 119.31 1wdk s LEU 24 Ca 0.24 -0.29 -0.35 0.00 -0.22 0.00 0.00 54.13 53.51 1wdk s LEU 24 Cb -0.02 -2.55 -0.15 0.00 0.50 0.00 0.00 46.19 43.97 1wdk s LEU 24 CO -0.06 -3.06 1.41 0.29 -1.32 0.00 0.00 176.35 173.62 1wdk n LYS 25 N 8.88 1.63 0.00 1.98 4.76 -0.76 -1.45 118.16 133.20 1wdk n LYS 25 Ca 0.40 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 56.43 1wdk n LYS 25 Cb 0.47 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 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 2.74 2.62 3.67 0.72 0.00 -1.26 -4.99 105.19 108.70 1wdk n GLY 26 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.61 2.39 0.32 1.61 0.41 -0.53 -5.04 118.70 117.25 1wdk s GLU 27 Ca 0.00 -1.37 0.24 0.00 -0.41 0.00 0.00 54.97 53.43 1wdk s GLU 27 Cb 0.00 -2.22 0.45 0.00 -1.78 0.00 0.00 34.13 30.58 1wdk s GLU 27 CO 0.00 0.36 1.58 0.66 -0.49 0.00 0.00 175.26 177.37 1wdk h SER 28 N 1.82 0.00 -5.63 -0.19 4.64 -1.96 -3.46 113.55 108.77 1wdk h SER 28 Ca -0.45 -0.02 -0.28 0.00 -0.47 0.00 0.00 61.79 60.57 1wdk h SER 28 Cb 1.25 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.20 1wdk h SER 28 CO 0.61 0.01 -0.53 0.68 -0.87 0.00 0.00 176.83 176.72 1wdk s VAL 29 N -3.19 0.00 0.02 0.95 -7.23 -1.26 -4.68 120.40 105.01 1wdk s VAL 29 Ca 0.07 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.30 1wdk s VAL 29 Cb 0.08 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1wdk s VAL 29 CO 0.66 0.00 0.16 0.20 -0.31 0.00 0.00 175.10 175.82 1wdk s ASN 30 N -3.20 6.17 -0.11 4.85 0.01 -1.26 -4.51 114.94 116.88 1wdk s ASN 30 Ca 0.38 0.25 -0.30 0.00 -0.71 0.00 0.00 52.86 52.48 1wdk s ASN 30 Cb 0.05 -1.87 0.10 0.00 0.41 0.00 0.00 41.25 39.94 1wdk s ASN 30 CO 0.16 0.22 0.85 -1.59 -1.51 0.00 0.00 177.10 175.23 1wdk s LYS 31 N -2.14 0.81 -1.37 -0.60 -2.85 -1.26 -1.67 119.74 110.66 1wdk s LYS 31 Ca 0.29 0.22 -0.14 0.00 -1.00 0.00 0.00 55.97 55.35 1wdk s LYS 31 Cb -0.13 0.38 0.09 0.00 -2.06 0.00 0.00 37.83 36.11 1wdk s LYS 31 CO 0.21 -0.25 2.00 1.19 0.10 0.00 0.00 175.35 178.60 1wdk n PHE 32 N 0.88 3.72 -1.77 1.78 3.01 -1.25 -4.67 117.46 119.16 1wdk n PHE 32 Ca -0.14 -2.94 -0.05 0.00 1.01 0.00 0.00 57.45 55.32 1wdk n PHE 32 Cb 0.57 -2.40 0.03 0.00 -0.01 0.00 0.00 39.48 37.67 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 5.96 0.15 -0.08 4.37 0.23 -1.26 -4.65 115.26 119.99 1wdk n ASN 33 Ca 0.47 -1.17 -0.09 0.00 -0.53 0.00 0.00 54.58 53.26 1wdk n ASN 33 Cb 0.40 -0.17 -0.02 0.00 -2.08 0.00 0.00 39.78 37.91 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 0.37 -0.12 -3.83 9.65 -2.00 -2.53 114.38 115.92 1wdk h ARG 34 Ca -0.08 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1wdk h ARG 34 Cb 0.25 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.71 1wdk h ARG 34 CO 0.07 0.29 -0.09 1.25 2.80 0.00 0.00 179.97 184.28 1wdk h LEU 35 N 0.35 -0.30 -0.47 3.80 5.85 -1.95 -1.69 115.31 120.91 1wdk h LEU 35 Ca 0.10 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1wdk h LEU 35 Cb 0.01 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1wdk h LEU 35 CO -0.02 -0.13 0.19 0.74 -0.34 0.00 0.00 178.44 178.88 1wdk h THR 36 N -0.11 1.20 -0.41 1.05 2.02 -1.82 -0.55 112.91 114.30 1wdk h THR 36 Ca 0.08 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.66 1wdk h THR 36 Cb 0.22 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1wdk h THR 36 CO -0.18 0.23 0.21 -0.07 0.37 0.00 0.00 175.52 176.08 1wdk h LEU 37 N 0.61 0.32 -0.81 2.58 3.38 -1.31 0.14 115.31 120.22 1wdk h LEU 37 Ca 0.16 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1wdk h LEU 37 Cb 0.18 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1wdk h LEU 37 CO -0.01 0.23 0.51 0.78 0.09 0.00 0.00 178.44 180.04 1wdk h ASN 38 N 0.43 0.95 0.39 -0.43 -0.26 -1.03 -1.51 115.58 114.11 1wdk h ASN 38 Ca 0.17 -0.04 -0.10 0.00 -0.56 0.00 0.00 56.30 55.76 1wdk h ASN 38 Cb 0.06 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 1wdk h ASN 38 CO -0.11 0.71 -0.46 -0.33 -1.06 0.00 0.00 177.43 176.17 1wdk h GLU 39 N 1.10 0.09 -0.58 0.81 5.08 -0.45 -2.39 114.58 118.23 1wdk h GLU 39 Ca 0.29 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 1wdk h GLU 39 Cb -0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1wdk h GLU 39 CO -0.06 0.54 -0.02 1.25 -1.00 0.00 0.00 179.01 179.72 1wdk h LEU 40 N 0.08 1.02 -0.30 1.33 6.46 -0.09 0.28 115.31 124.08 1wdk h LEU 40 Ca 0.00 -0.29 0.05 0.00 -0.12 0.00 0.00 57.88 57.52 1wdk h LEU 40 Cb 0.85 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.46 1wdk h LEU 40 CO 0.06 1.08 0.03 -0.09 -0.62 0.00 0.00 178.44 178.90 1wdk h ARG 41 N 0.94 0.12 -0.42 1.25 9.65 -0.94 0.24 114.38 125.21 1wdk h ARG 41 Ca 0.17 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.97 1wdk h ARG 41 Cb 0.57 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.11 1wdk h ARG 41 CO 0.03 0.08 0.00 1.96 2.80 0.00 0.00 179.97 184.84 1wdk h GLN 42 N 0.12 0.74 -0.54 0.20 4.20 -0.98 -1.29 115.11 117.55 1wdk h GLN 42 Ca 0.14 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1wdk h GLN 42 Cb 0.17 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1wdk h GLN 42 CO -0.22 0.82 0.26 0.00 -0.67 0.00 0.00 178.83 179.02 1wdk h ALA 43 N 0.90 0.70 -0.20 3.87 0.00 0.02 0.10 119.26 124.65 1wdk h ALA 43 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wdk h ALA 43 Cb 0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1wdk h ALA 43 CO 0.02 0.26 0.11 0.28 0.00 0.00 0.00 179.25 179.92 1wdk h VAL 44 N 0.73 1.11 -0.43 0.00 2.07 -0.43 -0.81 116.25 118.47 1wdk h VAL 44 Ca 0.19 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1wdk h VAL 44 Cb 0.12 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1wdk h VAL 44 CO -0.02 0.10 0.12 0.44 0.02 0.00 0.00 177.57 178.23 1wdk h ASP 45 N 0.21 0.58 -0.34 0.57 3.32 -0.98 0.42 116.42 120.21 1wdk h ASP 45 Ca 0.07 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1wdk h ASP 45 Cb 0.07 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1wdk h ASP 45 CO -0.01 0.57 0.03 0.00 -1.72 0.00 0.00 179.24 178.11 1wdk h ALA 46 N 1.51 0.45 -0.36 3.45 0.00 -0.36 -1.09 119.26 122.87 1wdk h ALA 46 Ca 0.15 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1wdk h ALA 46 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1wdk h ALA 46 CO -0.01 0.18 -0.10 0.82 0.00 0.00 0.00 179.25 180.14 1wdk h ILE 47 N 0.40 1.28 -0.05 0.00 2.04 -0.67 -1.57 117.51 118.93 1wdk h ILE 47 Ca 0.10 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 64.80 1wdk h ILE 47 Cb 0.39 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1wdk h ILE 47 CO 0.01 0.39 0.07 0.50 0.00 0.00 0.00 178.15 179.11 1wdk h LYS 48 N 0.49 0.00 0.00 2.37 3.64 -0.03 -2.10 116.57 120.94 1wdk h LYS 48 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1wdk h LYS 48 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1wdk h LYS 48 CO 0.04 0.00 -1.54 0.00 -2.27 0.00 0.00 179.45 175.68 1wdk n ALA 49 N -2.30 2.86 -2.84 5.00 0.00 -0.43 -4.77 120.51 118.03 1wdk n ALA 49 Ca -0.02 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.57 1wdk n ALA 49 Cb 0.16 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 -4.65 6.30 0.00 0.00 3.68 -0.63 -4.88 116.67 116.48 1wdk s ASP 50 Ca -0.04 -1.24 0.07 0.00 2.13 0.00 0.00 52.55 53.47 1wdk s ASP 50 Cb 0.13 -2.43 0.32 0.00 -1.45 0.00 0.00 42.92 39.49 1wdk s ASP 50 CO 0.86 -1.38 1.14 0.00 0.13 0.00 0.00 175.17 175.92 1wdk n ALA 51 N 7.58 1.41 0.75 3.66 0.00 -1.26 -2.19 120.51 130.46 1wdk n ALA 51 Ca 0.05 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1wdk n ALA 51 Cb 0.47 -1.11 0.27 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.39 0.57 -4.73 0.00 3.41 -1.26 -4.89 113.62 105.33 1wdk n SER 52 Ca 0.02 0.10 -0.42 0.00 -0.26 0.00 0.00 58.87 58.32 1wdk n SER 52 Cb 0.07 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 2.64 -0.27 -3.33 1.01 -0.93 -4.70 120.40 111.73 1wdk s VAL 53 Ca 0.09 0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.62 1wdk s VAL 53 Cb 0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1wdk s VAL 53 CO 0.68 0.06 0.25 0.29 0.00 0.00 0.00 175.10 176.38 1wdk n LYS 54 N 3.05 4.88 0.00 2.72 4.76 -0.19 -5.00 118.16 128.38 1wdk n LYS 54 Ca 0.10 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1wdk n LYS 54 Cb 0.39 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.82 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 1.04 0.86 3.07 0.72 0.00 -1.25 -4.22 105.19 105.41 1wdk n GLY 55 Ca 0.01 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 1.17 -0.15 1.61 1.01 -0.10 -0.26 120.40 121.68 1wdk s VAL 56 Ca 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 1wdk s VAL 56 Cb 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1wdk s VAL 56 CO 0.00 0.35 -0.14 -0.63 0.00 0.00 0.00 175.10 174.68 1wdk s ILE 57 N 0.18 2.82 -0.28 2.22 1.01 0.03 -1.03 121.20 126.15 1wdk s ILE 57 Ca -0.05 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 1wdk s ILE 57 Cb -0.11 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 1wdk s ILE 57 CO 0.02 0.51 0.11 -0.69 0.00 0.00 0.00 174.94 174.89 1wdk s VAL 58 N 0.72 4.41 0.38 2.92 1.01 0.79 -0.34 120.40 130.29 1wdk s VAL 58 Ca -0.06 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1wdk s VAL 58 Cb -0.15 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1wdk s VAL 58 CO 0.02 0.19 0.12 -1.54 0.00 0.00 0.00 175.10 173.88 1wdk n SER 59 N 4.94 1.42 -4.16 3.32 3.41 -0.62 -0.02 113.62 121.92 1wdk n SER 59 Ca -0.15 -2.97 -0.20 0.00 -0.26 0.00 0.00 58.87 55.29 1wdk n SER 59 Cb 0.50 0.87 -0.13 0.00 -0.26 0.00 0.00 64.21 65.19 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 -3.30 1.71 0.00 4.04 0.15 -1.26 -0.63 113.70 114.41 1wdk s SER 60 Ca 0.17 -0.51 0.22 0.00 0.70 0.00 0.00 55.95 56.53 1wdk s SER 60 Cb 0.01 -0.09 0.13 0.00 -1.71 0.00 0.00 66.02 64.35 1wdk s SER 60 CO 0.12 0.01 1.15 0.61 1.20 0.00 0.00 173.24 176.33 1wdk n GLY 61 N 1.72 0.58 3.10 9.45 0.00 0.16 -4.85 105.19 115.34 1wdk n GLY 61 Ca -0.19 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 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 0.90 0.70 0.16 1.61 4.76 -1.26 -5.01 118.16 120.02 1wdk n LYS 62 Ca 0.12 -2.51 0.04 0.00 -2.87 0.00 0.00 58.31 53.08 1wdk n LYS 62 Cb 0.52 -0.14 0.20 0.00 -1.84 0.00 0.00 35.03 33.77 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 0.13 0.00 -1.36 4.39 3.32 -1.94 -3.44 116.42 117.51 1wdk h ASP 63 Ca -0.22 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.37 1wdk h ASP 63 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1wdk h ASP 63 CO 0.32 0.46 -0.28 0.68 -1.72 0.00 0.00 179.24 178.70 1wdk s VAL 64 N -3.32 2.76 0.00 -1.35 -7.23 -1.26 -4.18 120.40 105.83 1wdk s VAL 64 Ca 0.01 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1wdk s VAL 64 Cb 0.10 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1wdk s VAL 64 CO 0.72 0.00 0.00 0.33 -0.31 0.00 0.00 175.10 175.84 1wdk n PHE 65 N -1.80 0.00 -3.67 2.82 7.35 0.79 -4.60 117.46 118.35 1wdk n PHE 65 Ca 0.07 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.68 1wdk n PHE 65 Cb 0.60 -0.12 -0.09 0.00 0.35 0.00 0.00 39.48 40.23 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 -0.41 -0.40 0.29 -2.13 1.01 -0.87 -4.49 121.20 114.20 1wdk s ILE 66 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.78 1wdk s ILE 66 Cb 0.00 -0.74 0.03 0.00 0.01 0.00 0.00 42.46 41.76 1wdk s ILE 66 CO 0.00 0.04 0.22 1.33 0.00 0.00 0.00 174.94 176.53 1wdk n VAL 67 N 4.88 0.00 -1.42 2.92 0.24 -0.67 -1.90 118.33 122.39 1wdk n VAL 67 Ca -0.15 -1.13 -0.30 0.00 -2.04 0.00 0.00 64.34 60.71 1wdk n VAL 67 Cb 0.53 -0.27 0.09 0.00 -1.47 0.00 0.00 33.84 32.71 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 -2.95 1.65 0.94 7.63 0.00 -1.25 -3.94 107.32 109.40 1wdk s GLY 68 Ca 0.17 0.03 -0.12 0.00 0.00 0.00 0.00 44.72 44.79 1wdk s GLY 68 CO 0.11 0.41 1.11 0.00 0.00 0.00 0.00 173.10 174.73 1wdk s ALA 69 N -3.02 1.46 0.27 3.20 0.00 -1.26 -4.71 121.76 117.70 1wdk s ALA 69 Ca 0.61 -0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 1wdk s ALA 69 Cb -0.16 -3.08 -0.11 0.00 0.00 0.00 0.00 23.12 19.76 1wdk s ALA 69 CO 0.55 -2.47 1.63 -0.51 0.00 0.00 0.00 175.76 174.96 1wdk s ASP 70 N -3.74 6.37 0.53 0.00 1.01 -1.26 -4.83 116.67 114.75 1wdk s ASP 70 Ca 0.64 2.93 0.33 0.00 0.71 0.00 0.00 52.55 57.16 1wdk s ASP 70 Cb -0.17 -2.63 1.48 0.00 1.01 0.00 0.00 42.92 42.62 1wdk s ASP 70 CO 0.55 -0.93 1.85 -0.29 0.21 0.00 0.00 175.17 176.56 1wdk h ILE 71 N 3.49 0.49 -0.50 0.77 6.09 -2.00 0.50 117.51 126.36 1wdk h ILE 71 Ca -0.46 -0.01 0.08 0.00 -1.37 0.00 0.00 64.86 63.10 1wdk h ILE 71 Cb 1.22 0.46 -0.07 0.00 0.47 0.00 0.00 36.82 38.90 1wdk h ILE 71 CO 0.83 0.01 0.13 0.74 -3.07 0.00 0.00 178.15 176.79 1wdk h THR 72 N 0.03 0.76 0.00 2.19 2.02 -2.00 -1.10 112.91 114.81 1wdk h THR 72 Ca 0.49 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.51 1wdk h THR 72 Cb 1.92 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1wdk h THR 72 CO -0.02 0.05 -0.31 -0.33 0.37 0.00 0.00 175.52 175.27 1wdk h GLU 73 N 0.27 0.00 -0.17 6.66 5.08 -1.25 -2.63 114.58 122.54 1wdk h GLU 73 Ca 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1wdk h GLU 73 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1wdk h GLU 73 CO -0.30 0.31 0.07 0.74 -1.00 0.00 0.00 179.01 178.83 1wdk h PHE 74 N 0.00 0.25 -0.41 4.33 -1.00 -1.15 -0.67 116.94 118.29 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 0.69 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 40.14 1wdk h PHE 74 CO 0.00 0.31 0.17 0.28 -1.61 0.00 0.00 178.31 177.46 1wdk h VAL 75 N 0.12 0.91 0.85 -0.55 2.07 -1.11 -1.44 116.25 117.11 1wdk h VAL 75 Ca 0.06 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1wdk h VAL 75 Cb 0.17 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1wdk h VAL 75 CO -0.00 0.06 -0.41 -0.33 0.02 0.00 0.00 177.57 176.91 1wdk h GLU 76 N 0.35 -1.11 -0.91 1.57 5.08 -1.36 -3.11 114.58 115.09 1wdk h GLU 76 Ca 0.19 0.08 0.26 0.00 -1.00 0.00 0.00 59.36 58.88 1wdk h GLU 76 Cb 0.14 0.25 -0.14 0.00 0.50 0.00 0.00 28.75 29.50 1wdk h GLU 76 CO -0.17 -0.73 0.33 -0.91 -1.00 0.00 0.00 179.01 176.53 1wdk h ASN 77 N -1.29 0.16 0.00 1.42 4.21 -1.03 0.16 115.58 119.20 1wdk h ASN 77 Ca -0.12 0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.59 1wdk h ASN 77 Cb 0.88 0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 1wdk h ASN 77 CO 0.19 -0.14 0.00 0.49 -1.29 0.00 0.00 177.43 176.68 1wdk n PHE 78 N -5.17 0.00 0.00 1.19 3.72 -0.55 -2.52 117.46 114.14 1wdk n PHE 78 Ca 0.24 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.69 1wdk n PHE 78 Cb 0.76 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.18 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 -0.83 0.65 -1.30 -1.08 5.02 0.56 -4.78 118.16 116.40 1wdk n LYS 79 Ca 0.13 -0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.08 1wdk n LYS 79 Cb 0.06 -1.65 0.11 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 -5.16 3.25 0.42 -0.35 1.43 -1.05 -4.95 118.68 112.27 1wdk s LEU 80 Ca -0.06 2.38 -0.25 0.00 -1.03 0.00 0.00 54.13 55.18 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 0.85 -2.45 1.22 -2.84 0.23 0.00 0.00 176.35 173.37 1wdk s PRO 81 N -3.98 3.93 0.29 1.29 0.02 -1.26 -4.72 135.00 130.57 1wdk s PRO 81 Ca 0.74 1.96 0.03 0.00 0.02 0.00 0.00 61.00 63.75 1wdk s PRO 81 Cb -0.30 -2.64 0.75 0.00 0.02 0.00 0.00 34.50 32.33 1wdk s PRO 81 CO 0.48 -0.46 1.46 -0.25 -0.33 0.00 0.00 177.00 177.90 1wdk n ASP 82 N -0.05 -0.08 -0.20 2.53 9.92 -1.26 -0.35 116.55 127.05 1wdk n ASP 82 Ca 0.05 1.58 -0.04 0.00 -0.53 0.00 0.00 54.79 55.85 1wdk n ASP 82 Cb 0.46 -0.59 0.06 0.00 -0.64 0.00 0.00 41.12 40.41 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 1.87 0.77 -0.12 2.24 0.00 -1.99 -0.62 119.26 121.40 1wdk h ALA 83 Ca 0.58 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.46 1wdk h ALA 83 Cb 1.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1wdk h ALA 83 CO -0.87 0.05 -0.04 0.93 0.00 0.00 0.00 179.25 179.31 1wdk h GLU 84 N 0.66 0.25 -0.03 0.00 5.08 -1.05 -1.42 114.58 118.07 1wdk h GLU 84 Ca 0.25 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1wdk h GLU 84 Cb 0.08 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1wdk h GLU 84 CO -0.13 0.57 -0.12 1.25 -1.00 0.00 0.00 179.01 179.58 1wdk h LEU 85 N -0.08 -0.36 -1.18 1.33 5.85 -1.20 0.18 115.31 119.83 1wdk h LEU 85 Ca 0.03 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1wdk h LEU 85 Cb 0.49 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1wdk h LEU 85 CO 0.02 -0.17 0.33 0.40 -0.34 0.00 0.00 178.44 178.67 1wdk h ILE 86 N -0.19 1.20 -0.32 4.05 2.04 -1.14 -1.07 117.51 122.08 1wdk h ILE 86 Ca 0.06 -0.54 -0.14 0.00 1.00 0.00 0.00 64.86 65.24 1wdk h ILE 86 Cb 0.26 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1wdk h ILE 86 CO -0.15 0.23 -0.36 0.00 0.00 0.00 0.00 178.15 177.87 1wdk h ALA 87 N 1.46 0.76 -0.34 1.87 0.00 -0.66 0.72 119.26 123.07 1wdk h ALA 87 Ca 0.22 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1wdk h ALA 87 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1wdk h ALA 87 CO -0.03 0.65 -0.20 0.78 0.00 0.00 0.00 179.25 180.45 1wdk h GLY 88 N 0.95 0.71 1.58 0.00 0.00 -0.07 -2.08 103.07 104.16 1wdk h GLY 88 Ca 0.06 -0.58 -0.22 0.00 0.00 0.00 0.00 47.33 46.60 1wdk h GLY 88 CO 0.08 0.53 -0.90 3.43 0.00 0.00 0.00 176.54 179.68 1wdk h ASN 89 N 0.58 0.48 -0.70 0.19 2.35 -1.01 -2.16 115.58 115.31 1wdk h ASN 89 Ca 0.09 -0.38 0.05 0.00 -0.55 0.00 0.00 56.30 55.51 1wdk h ASN 89 Cb 0.67 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.84 1wdk h ASN 89 CO 0.05 1.17 0.42 0.25 -1.65 0.00 0.00 177.43 177.67 1wdk h LEU 90 N 0.22 0.66 -0.39 1.61 5.85 -0.64 0.09 115.31 122.71 1wdk h LEU 90 Ca -0.07 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1wdk h LEU 90 Cb 1.53 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 1wdk h LEU 90 CO 0.15 0.44 0.14 -0.08 -0.34 0.00 0.00 178.44 178.76 1wdk h GLU 91 N 0.80 0.60 0.05 1.25 4.81 -1.25 -1.20 114.58 119.63 1wdk h GLU 91 Ca 0.30 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1wdk h GLU 91 Cb 0.10 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1wdk h GLU 91 CO -0.14 0.59 -0.02 0.00 -0.73 0.00 0.00 179.01 178.70 1wdk h ALA 92 N 0.98 -0.07 -0.29 2.92 0.00 -0.91 -2.45 119.26 119.44 1wdk h ALA 92 Ca 0.13 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1wdk h ALA 92 Cb 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1wdk h ALA 92 CO -0.01 -0.52 0.20 -0.91 0.00 0.00 0.00 179.25 178.01 1wdk h ASN 93 N -0.11 0.13 -0.17 0.00 2.35 -0.89 -0.14 115.58 116.75 1wdk h ASN 93 Ca -0.01 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1wdk h ASN 93 Cb 0.09 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1wdk h ASN 93 CO 0.01 0.09 -0.00 0.11 -1.65 0.00 0.00 177.43 175.99 1wdk h LYS 94 N 0.15 0.42 0.34 0.81 6.56 -0.73 -0.22 116.57 123.90 1wdk h LYS 94 Ca 0.13 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 59.62 1wdk h LYS 94 Cb 0.33 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 1wdk h LYS 94 CO -0.02 0.45 -0.16 0.82 -2.06 0.00 0.00 179.45 178.48 1wdk h ILE 95 N 0.41 0.65 -0.98 1.86 2.04 -0.87 -0.83 117.51 119.79 1wdk h ILE 95 Ca 0.09 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.47 1wdk h ILE 95 Cb 0.27 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 1wdk h ILE 95 CO 0.01 0.10 0.64 -0.26 0.00 0.00 0.00 178.15 178.64 1wdk h PHE 96 N -0.76 1.21 -0.66 1.37 -1.00 -1.34 -0.88 116.94 114.88 1wdk h PHE 96 Ca -0.05 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.71 1wdk h PHE 96 Cb 0.51 -0.40 -0.03 0.00 3.61 0.00 0.00 35.95 39.64 1wdk h PHE 96 CO 0.01 0.70 0.19 0.77 -1.61 0.00 0.00 178.31 178.38 1wdk h SER 97 N 1.25 0.97 -0.35 2.17 0.02 -1.01 0.55 113.55 117.15 1wdk h SER 97 Ca 0.39 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1wdk h SER 97 Cb -0.01 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1wdk h SER 97 CO -0.12 0.93 0.08 0.44 -1.14 0.00 0.00 176.83 177.02 1wdk h ASP 98 N 0.96 0.60 0.15 3.07 3.32 -0.28 0.37 116.42 124.60 1wdk h ASP 98 Ca 0.21 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 1wdk h ASP 98 Cb 0.32 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1wdk h ASP 98 CO -0.00 0.61 -0.49 0.15 -1.72 0.00 0.00 179.24 177.79 1wdk h PHE 99 N 0.63 0.48 -0.02 4.55 3.04 -0.65 -2.63 116.94 122.34 1wdk h PHE 99 Ca 0.14 -0.16 -0.13 0.00 3.98 0.00 0.00 57.97 61.80 1wdk h PHE 99 Cb 0.27 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 1wdk h PHE 99 CO 0.01 0.81 -0.61 1.49 -2.02 0.00 0.00 178.31 178.00 1wdk h GLU 100 N 0.32 0.07 -0.16 1.11 4.81 0.27 -3.08 114.58 117.92 1wdk h GLU 100 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1wdk h GLU 100 Cb 0.98 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1wdk h GLU 100 CO 0.08 0.66 0.00 -0.25 -0.73 0.00 0.00 179.01 178.77 1wdk n ASP 101 N -3.84 1.42 -4.66 1.04 8.00 0.12 -4.92 116.55 113.71 1wdk n ASP 101 Ca -0.02 -1.70 -0.46 0.00 0.71 0.00 0.00 54.79 53.32 1wdk n ASP 101 Cb 0.61 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.57 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 0.17 2.84 -1.72 0.64 4.32 -1.02 -4.79 117.00 117.44 1wdk n LEU 102 Ca 0.15 1.11 -0.07 0.00 -0.02 0.00 0.00 56.01 57.19 1wdk n LEU 102 Cb 0.28 -1.39 -0.04 0.00 -1.62 0.00 0.00 43.42 40.66 1wdk n LEU 102 CO 0.12 -0.51 1.21 -3.20 -1.22 0.00 0.00 177.39 173.79 1wdk n ASN 103 N 2.76 5.53 -3.77 -1.43 5.15 -1.26 -4.73 115.26 117.51 1wdk n ASN 103 Ca 0.15 -2.56 -0.12 0.00 -0.60 0.00 0.00 54.58 51.45 1wdk n ASN 103 Cb 0.28 -1.20 -0.08 0.00 -0.53 0.00 0.00 39.78 38.26 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 -0.18 0.08 0.33 3.44 0.11 -1.26 -5.06 120.40 117.86 1wdk s VAL 104 Ca 0.23 -0.63 -0.28 0.00 -2.93 0.00 0.00 61.98 58.37 1wdk s VAL 104 Cb 0.13 -0.81 -0.10 0.00 -1.53 0.00 0.00 36.38 34.08 1wdk s VAL 104 CO -0.01 -0.35 1.23 -2.84 -3.33 0.00 0.00 175.10 169.80 1wdk s PRO 105 N -2.09 4.36 0.05 1.54 0.02 -1.26 -4.86 135.00 132.76 1wdk s PRO 105 Ca -0.08 2.05 0.06 0.00 0.02 0.00 0.00 61.00 63.04 1wdk s PRO 105 Cb -0.03 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.45 1wdk s PRO 105 CO -0.01 -0.12 -0.16 0.95 -0.33 0.00 0.00 177.00 177.33 1wdk s THR 106 N -1.19 1.28 -0.02 0.99 -4.23 -1.26 -0.93 115.64 110.28 1wdk s THR 106 Ca 0.49 -1.11 -0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1wdk s THR 106 Cb -0.36 -1.15 0.02 0.00 1.34 0.00 0.00 72.50 72.34 1wdk s THR 106 CO 0.47 0.03 0.04 -0.69 -0.54 0.00 0.00 174.62 173.93 1wdk s VAL 107 N -0.89 -0.04 -0.24 2.29 1.01 -0.20 -1.77 120.40 120.56 1wdk s VAL 107 Ca 0.03 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 1wdk s VAL 107 Cb -0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.17 1wdk s VAL 107 CO 0.02 0.06 0.15 0.00 0.00 0.00 0.00 175.10 175.33 1wdk s ALA 108 N 0.74 3.59 -0.65 5.51 0.00 0.16 -0.15 121.76 130.96 1wdk s ALA 108 Ca -0.06 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.86 1wdk s ALA 108 Cb -0.09 -2.29 0.16 0.00 0.00 0.00 0.00 23.12 20.90 1wdk s ALA 108 CO -0.02 -0.18 0.60 0.00 0.00 0.00 0.00 175.76 176.16 1wdk s ALA 109 N 1.03 3.81 -0.66 0.00 0.00 0.98 -0.99 121.76 125.93 1wdk s ALA 109 Ca 0.07 -2.85 -0.27 0.00 0.00 0.00 0.00 51.96 48.91 1wdk s ALA 109 Cb -0.13 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.67 1wdk s ALA 109 CO 0.04 -2.12 1.18 0.42 0.00 0.00 0.00 175.76 175.28 1wdk s ILE 110 N 1.01 3.96 -0.10 0.00 1.01 0.61 -4.47 121.20 123.22 1wdk s ILE 110 Ca 0.09 0.50 0.16 0.00 0.00 0.00 0.00 60.65 61.39 1wdk s ILE 110 Cb -0.22 -4.79 -0.17 0.00 0.01 0.00 0.00 42.46 37.29 1wdk s ILE 110 CO -0.02 -1.56 0.74 -0.46 0.00 0.00 0.00 174.94 173.64 1wdk n ASN 111 N 8.68 0.82 -0.09 3.58 6.94 -1.26 -0.73 115.26 133.20 1wdk n ASN 111 Ca 0.04 0.37 0.00 0.00 -0.02 0.00 0.00 54.58 54.97 1wdk n ASN 111 Cb 0.48 0.14 0.00 0.00 -2.36 0.00 0.00 39.78 38.05 1wdk n ASN 111 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wdk n GLY 112 N 1.46 3.82 3.58 4.83 0.00 -1.26 -4.53 105.19 113.08 1wdk n GLY 112 Ca -0.13 -1.06 -0.53 0.00 0.00 0.00 0.00 46.02 44.31 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 0.00 -3.61 -0.61 2.08 -1.26 -3.81 119.36 112.15 1wdk n ILE 113 Ca 0.00 -0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.02 1wdk n ILE 113 Cb 0.00 -0.73 -0.14 0.00 -0.75 0.00 0.00 39.64 38.01 1wdk n ILE 113 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wdk s ALA 114 N 0.48 1.14 0.05 -1.39 0.00 -0.43 -0.15 121.76 121.46 1wdk s ALA 114 Ca 0.85 -1.57 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1wdk s ALA 114 Cb -0.99 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 1wdk s ALA 114 CO 0.48 -1.77 -0.21 -0.51 0.00 0.00 0.00 175.76 173.75 1wdk s LEU 115 N 1.59 2.47 0.00 0.00 1.43 -0.80 -2.43 118.68 120.95 1wdk s LEU 115 Ca 0.12 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1wdk s LEU 115 Cb -0.18 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1wdk s LEU 115 CO -0.23 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1wdk n GLY 116 N 1.57 3.50 0.41 -3.19 0.00 -0.32 -0.96 105.19 106.20 1wdk n GLY 116 Ca -0.16 0.23 0.22 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 0.80 0.97 -0.02 0.00 -1.90 0.55 103.07 103.47 1wdk h GLY 117 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1wdk h GLY 117 CO 0.00 -0.03 0.13 -1.33 0.00 0.00 0.00 176.54 175.31 1wdk h GLY 118 N 0.34 0.31 1.01 4.60 0.00 -1.15 -0.82 103.07 107.37 1wdk h GLY 118 Ca 0.49 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.60 1wdk h GLY 118 CO -0.17 0.13 -0.06 -2.00 0.00 0.00 0.00 176.54 174.43 1wdk h LEU 119 N 0.27 0.86 -1.58 3.11 6.46 -1.09 -2.69 115.31 120.65 1wdk h LEU 119 Ca 0.08 -0.34 0.11 0.00 -0.12 0.00 0.00 57.88 57.61 1wdk h LEU 119 Cb 0.02 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 39.67 1wdk h LEU 119 CO -0.01 1.00 0.45 -0.33 -0.62 0.00 0.00 178.44 178.92 1wdk h GLU 120 N 0.71 0.45 -0.47 1.25 5.08 -0.57 0.27 114.58 121.29 1wdk h GLU 120 Ca 0.12 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1wdk h GLU 120 Cb 0.59 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1wdk h GLU 120 CO 0.04 0.30 0.04 1.98 -1.00 0.00 0.00 179.01 180.36 1wdk h MET 121 N 0.46 0.80 -0.70 2.33 4.05 -0.84 -2.77 114.93 118.26 1wdk h MET 121 Ca 0.32 -0.23 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 1wdk h MET 121 Cb 0.62 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 1wdk h MET 121 CO -0.10 0.83 0.21 0.00 0.23 0.00 0.00 176.91 178.08 1wdk h LEU 123 N 1.03 0.00 -0.19 0.00 3.38 -0.68 -1.69 115.31 117.16 1wdk h LEU 123 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1wdk h LEU 123 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1wdk h LEU 123 CO -0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.52 1wdk h ALA 124 N 2.00 1.00 -2.33 1.53 0.00 -1.09 -3.45 119.26 116.92 1wdk h ALA 124 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1wdk h ALA 124 Cb 0.20 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.05 1wdk h ALA 124 CO 0.00 0.00 0.23 0.00 0.00 0.00 0.00 179.25 179.48 1wdk s ALA 125 N -3.19 3.20 0.04 0.00 0.00 -0.64 -4.00 121.76 117.17 1wdk s ALA 125 Ca 0.08 -0.64 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 1wdk s ALA 125 Cb 0.10 -2.69 -0.22 0.00 0.00 0.00 0.00 23.12 20.30 1wdk s ALA 125 CO 0.58 -0.92 1.16 -0.44 0.00 0.00 0.00 175.76 176.14 1wdk h ASP 126 N -0.32 0.71 -3.51 0.00 3.32 -1.78 -3.47 116.42 111.37 1wdk h ASP 126 Ca -0.45 -0.73 -0.42 0.00 0.02 0.00 0.00 57.03 55.45 1wdk h ASP 126 Cb 1.26 -0.21 -0.15 0.00 0.22 0.00 0.00 39.33 40.45 1wdk h ASP 126 CO 0.61 1.34 -0.74 -0.36 -1.72 0.00 0.00 179.24 178.38 1wdk s PHE 127 N -3.34 1.57 -0.04 4.55 0.40 -0.73 -4.79 117.98 115.60 1wdk s PHE 127 Ca -0.12 -0.61 -0.01 0.00 -0.60 0.00 0.00 56.93 55.59 1wdk s PHE 127 Cb 0.05 -0.76 0.03 0.00 0.51 0.00 0.00 43.02 42.85 1wdk s PHE 127 CO 0.86 0.27 0.05 1.03 0.70 0.00 0.00 175.22 178.13 1wdk s ARG 128 N -3.49 -0.01 -0.13 0.44 0.52 -1.26 -0.67 118.95 114.35 1wdk s ARG 128 Ca 0.19 0.31 -0.00 0.00 -0.52 0.00 0.00 55.73 55.71 1wdk s ARG 128 Cb -0.01 -0.49 -0.02 0.00 0.52 0.00 0.00 34.95 34.95 1wdk s ARG 128 CO 0.05 -0.29 -0.12 0.08 0.02 0.00 0.00 175.30 175.04 1wdk s VAL 129 N 1.91 3.13 0.02 3.52 1.01 -0.16 -0.79 120.40 129.03 1wdk s VAL 129 Ca 0.02 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1wdk s VAL 129 Cb -0.12 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1wdk s VAL 129 CO -0.03 0.52 -0.21 -0.32 0.00 0.00 0.00 175.10 175.06 1wdk s MET 130 N 0.35 1.55 0.23 2.72 0.00 -0.29 -0.29 119.30 123.58 1wdk s MET 130 Ca -0.10 -0.87 -0.30 0.00 0.00 0.00 0.00 55.69 54.42 1wdk s MET 130 Cb -0.16 -1.59 -0.09 0.00 0.00 0.00 0.00 34.83 32.99 1wdk s MET 130 CO 0.05 0.42 1.12 0.00 0.00 0.00 0.00 175.02 176.62 1wdk s ALA 131 N -0.66 3.40 -0.93 4.11 0.00 0.09 -1.30 121.76 126.47 1wdk s ALA 131 Ca 0.08 0.89 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1wdk s ALA 131 Cb -0.09 -3.35 0.13 0.00 0.00 0.00 0.00 23.12 19.81 1wdk s ALA 131 CO 0.01 -0.23 1.08 -0.40 0.00 0.00 0.00 175.76 176.22 1wdk n ASP 132 N 1.80 0.05 -0.02 0.00 3.85 0.20 -1.26 116.55 121.17 1wdk n ASP 132 Ca 0.01 0.52 0.09 0.00 -0.71 0.00 0.00 54.79 54.71 1wdk n ASP 132 Cb 0.45 -0.53 -0.11 0.00 -1.35 0.00 0.00 41.12 39.58 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 -1.57 0.98 -4.75 -1.12 3.41 -1.26 -4.52 113.62 104.78 1wdk n SER 133 Ca -0.00 -0.99 -0.29 0.00 -0.26 0.00 0.00 58.87 57.33 1wdk n SER 133 Cb 0.01 0.97 0.12 0.00 -0.26 0.00 0.00 64.21 65.05 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 -2.83 2.23 0.00 7.33 0.00 -0.39 -4.95 121.76 123.16 1wdk s ALA 134 Ca 0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 1wdk s ALA 134 Cb 0.15 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1wdk s ALA 134 CO 0.79 -2.03 0.03 0.15 0.00 0.00 0.00 175.76 174.71 1wdk s LYS 135 N -5.50 0.26 0.06 0.00 1.02 -1.26 -3.51 119.74 110.82 1wdk s LYS 135 Ca 0.64 -0.32 0.01 0.00 0.02 0.00 0.00 55.97 56.32 1wdk s LYS 135 Cb -0.12 0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 37.26 1wdk s LYS 135 CO 0.51 -0.05 -0.06 0.96 -0.92 0.00 0.00 175.35 175.80 1wdk s ILE 136 N -0.91 0.48 0.00 2.17 -4.36 -0.68 -1.31 121.20 116.58 1wdk s ILE 136 Ca -0.10 -1.59 0.00 0.00 -0.26 0.00 0.00 60.65 58.70 1wdk s ILE 136 Cb -0.06 -1.23 0.00 0.00 1.25 0.00 0.00 42.46 42.42 1wdk s ILE 136 CO -0.00 -0.75 0.00 0.61 0.24 0.00 0.00 174.94 175.04 1wdk n GLY 137 N 0.54 1.15 2.96 6.27 0.00 -1.02 0.79 105.19 115.88 1wdk n GLY 137 Ca -0.16 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 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 4.32 -0.00 0.99 1.43 -1.26 -1.18 118.68 122.99 1wdk s LEU 138 Ca 0.00 -2.62 0.04 0.00 -1.03 0.00 0.00 54.13 50.52 1wdk s LEU 138 Cb 0.00 -1.57 0.11 0.00 0.03 0.00 0.00 46.19 44.76 1wdk s LEU 138 CO 0.00 -0.30 1.09 -0.81 0.23 0.00 0.00 176.35 176.57 1wdk n PRO 139 N 3.63 1.30 -0.30 1.29 -0.04 -1.26 -3.84 135.00 135.79 1wdk n PRO 139 Ca 0.05 -0.47 0.14 0.00 -0.04 0.00 0.00 63.50 63.18 1wdk n PRO 139 Cb 0.36 -1.10 0.31 0.00 -0.04 0.00 0.00 33.50 33.03 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 0.76 0.30 -0.04 0.54 4.39 -1.89 0.15 114.58 118.78 1wdk h GLU 140 Ca 0.00 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1wdk h GLU 140 Cb 0.18 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1wdk h GLU 140 CO 0.00 0.20 0.13 -0.39 -1.16 0.00 0.00 179.01 177.79 1wdk h VAL 141 N 0.31 0.13 0.00 3.13 -1.51 -1.69 0.62 116.25 117.24 1wdk h VAL 141 Ca 0.57 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.99 1wdk h VAL 141 Cb 1.12 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.15 1wdk h VAL 141 CO -0.59 0.00 -0.23 0.11 -1.23 0.00 0.00 177.57 175.64 1wdk h LYS 142 N 0.00 0.00 -0.43 5.19 6.56 -0.97 -2.10 116.57 124.82 1wdk h LYS 142 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1wdk h LYS 142 Cb 0.28 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 1wdk h LYS 142 CO -0.00 0.23 0.00 1.28 -2.06 0.00 0.00 179.45 178.90 1wdk n LEU 143 N -3.89 3.19 0.00 2.94 4.77 0.19 -4.72 117.00 119.48 1wdk n LEU 143 Ca -0.02 -1.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 1wdk n LEU 143 Cb 0.31 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1wdk n LEU 143 CO 0.34 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1wdk n GLY 144 N 1.46 0.62 0.00 -0.72 0.00 -0.79 -4.30 105.19 101.47 1wdk n GLY 144 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.75 0.00 -3.87 -0.61 -5.35 -1.11 -4.47 119.36 101.20 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 -0.04 0.00 -1.74 0.00 0.00 39.64 37.86 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 0.75 0.10 -0.02 4.28 -0.85 -1.26 -2.39 117.35 117.95 1wdk s TYR 146 Ca 0.00 -0.47 -0.36 0.00 -0.52 0.00 0.00 57.07 55.72 1wdk s TYR 146 Cb 0.00 0.31 -0.18 0.00 0.38 0.00 0.00 41.96 42.47 1wdk s TYR 146 CO 0.00 -0.96 0.99 -2.30 -1.52 0.00 0.00 175.55 171.76 1wdk n PRO 147 N -0.35 0.00 0.00 -3.49 -0.02 -1.26 -4.88 135.00 124.99 1wdk n PRO 147 Ca -0.06 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.44 1wdk n PRO 147 Cb 0.62 -1.35 -0.01 0.00 -0.02 0.00 0.00 33.50 32.74 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 1.46 -0.03 2.67 -1.23 0.00 -1.26 -4.47 105.19 102.33 1wdk n GLY 148 Ca 0.19 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.56 3.35 -0.27 1.61 3.72 -1.26 -4.86 117.46 119.20 1wdk n PHE 149 Ca 0.02 -3.00 0.00 0.00 -0.05 0.00 0.00 57.45 54.41 1wdk n PHE 149 Cb 0.09 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.12 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 -0.43 1.65 0.26 1.37 0.00 -1.26 -4.84 105.19 101.93 1wdk n GLY 150 Ca 0.42 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.48 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 0.98 2.00 -0.02 0.00 -1.89 0.64 103.07 104.78 1wdk h GLY 151 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 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 -5.11 0.70 -0.11 4.70 -2.24 -1.26 -2.20 114.28 108.76 1wdk n THR 152 Ca 0.13 0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.72 1wdk n THR 152 Cb 0.41 -0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.15 1.52 -0.02 2.28 0.31 0.67 -4.45 118.33 116.49 1wdk n VAL 153 Ca 0.04 -0.08 -0.15 0.00 -0.01 0.00 0.00 64.34 64.14 1wdk n VAL 153 Cb 0.31 -2.05 -0.11 0.00 -0.91 0.00 0.00 33.84 31.08 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 0.24 -0.54 5.55 3.08 0.05 -3.28 114.38 118.49 1wdk h ARG 154 Ca -0.38 -0.23 0.07 0.00 0.07 0.00 0.00 59.98 59.50 1wdk h ARG 154 Cb 1.29 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.34 1wdk h ARG 154 CO -0.23 0.93 0.22 1.25 -1.07 0.00 0.00 179.97 181.07 1wdk h LEU 155 N -0.37 0.26 -1.13 3.04 5.85 -1.64 -1.15 115.31 120.17 1wdk h LEU 155 Ca -0.03 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1wdk h LEU 155 Cb 1.03 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1wdk h LEU 155 CO 0.06 0.17 0.07 -0.65 -0.34 0.00 0.00 178.44 177.76 1wdk h PRO 156 N 0.42 0.69 -0.00 5.25 0.11 -1.77 0.12 132.00 136.82 1wdk h PRO 156 Ca 0.26 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1wdk h PRO 156 Cb 0.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1wdk h PRO 156 CO -0.23 0.65 -0.04 0.54 -0.21 0.00 0.00 178.00 178.71 1wdk n ARG 157 N -4.28 0.04 -0.12 1.05 1.74 -0.88 -1.68 116.66 112.52 1wdk n ARG 157 Ca 0.03 -0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.91 1wdk n ARG 157 Cb 0.23 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.07 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 -1.47 2.65 -0.09 0.55 4.77 -0.49 -4.54 117.00 118.38 1wdk n LEU 158 Ca 0.08 -0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.06 1wdk n LEU 158 Cb 0.33 -0.82 0.01 0.00 -2.33 0.00 0.00 43.42 40.61 1wdk n LEU 158 CO 0.27 0.80 0.29 2.30 -1.33 0.00 0.00 177.39 179.72 1wdk n ILE 159 N -3.48 0.01 0.00 -0.08 -5.35 -0.03 -4.86 119.36 105.57 1wdk n ILE 159 Ca -0.45 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.52 1wdk n ILE 159 Cb 0.93 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.87 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 0.12 1.46 0.35 3.28 0.00 -0.68 -4.53 105.19 105.19 1wdk n GLY 160 Ca 0.01 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 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 0.23 -0.61 1.61 2.07 -1.90 0.24 116.25 117.89 1wdk h VAL 161 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1wdk h VAL 161 Cb 0.00 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 29.93 1wdk h VAL 161 CO 0.00 0.00 0.22 0.44 0.02 0.00 0.00 177.57 178.25 1wdk h ASP 162 N -0.34 0.21 -0.20 0.57 3.32 -1.94 0.40 116.42 118.44 1wdk h ASP 162 Ca 0.13 0.08 -0.20 0.00 0.02 0.00 0.00 57.03 57.06 1wdk h ASP 162 Cb 0.55 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1wdk h ASP 162 CO -0.46 0.12 -0.67 0.78 -1.72 0.00 0.00 179.24 177.30 1wdk h ASN 163 N 0.40 0.95 -0.56 6.45 2.35 -1.71 -2.17 115.58 121.28 1wdk h ASN 163 Ca 0.31 -0.56 -0.03 0.00 -0.55 0.00 0.00 56.30 55.47 1wdk h ASN 163 Cb 0.39 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1wdk h ASN 163 CO -0.31 1.36 0.25 0.00 -1.65 0.00 0.00 177.43 177.08 1wdk h ALA 164 N 0.64 0.72 -0.61 -0.83 0.00 -0.47 -1.63 119.26 117.08 1wdk h ALA 164 Ca -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1wdk h ALA 164 Cb 1.28 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1wdk h ALA 164 CO 0.14 0.31 0.39 0.28 0.00 0.00 0.00 179.25 180.37 1wdk h VAL 165 N 0.76 1.12 -0.87 0.00 2.07 -0.91 0.73 116.25 119.15 1wdk h VAL 165 Ca 0.19 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1wdk h VAL 165 Cb 0.15 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 1wdk h VAL 165 CO -0.02 0.14 0.57 -0.08 0.02 0.00 0.00 177.57 178.21 1wdk h GLU 166 N 0.78 1.14 -0.02 1.57 4.81 -1.05 0.41 114.58 122.22 1wdk h GLU 166 Ca 0.23 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1wdk h GLU 166 Cb -0.04 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.08 1wdk h GLU 166 CO -0.07 0.76 -0.06 -1.49 -0.73 0.00 0.00 179.01 177.42 1wdk h TRP 167 N 1.18 0.10 -0.30 0.92 4.06 -0.86 -2.96 115.95 118.09 1wdk h TRP 167 Ca 0.32 -0.04 -0.13 0.00 2.06 0.00 0.00 58.89 61.10 1wdk h TRP 167 Cb -0.14 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.00 1wdk h TRP 167 CO -0.01 0.66 -0.31 0.82 -3.56 0.00 0.00 178.44 176.04 1wdk h ILE 168 N -0.48 1.30 0.00 1.49 2.04 -0.72 0.37 117.51 121.51 1wdk h ILE 168 Ca -0.00 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1wdk h ILE 168 Cb 0.66 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1wdk h ILE 168 CO 0.01 0.48 0.00 0.00 0.00 0.00 0.00 178.15 178.64 1wdk h ALA 169 N 0.71 1.00 0.00 1.87 0.00 -0.30 -3.28 119.26 119.26 1wdk h ALA 169 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 1wdk h ALA 169 Cb 0.89 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1wdk h ALA 169 CO 0.08 0.00 -1.98 -1.13 0.00 0.00 0.00 179.25 176.22 1wdk n SER 170 N -2.88 1.73 -1.26 0.00 3.41 -1.12 -4.86 113.62 108.64 1wdk n SER 170 Ca 0.02 -0.02 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 1wdk n SER 170 Cb 0.35 0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 64.88 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 2.23 1.24 3.78 5.00 0.00 0.13 -4.91 105.19 112.67 1wdk n GLY 171 Ca -0.25 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.53 2.93 0.16 1.61 -2.85 -1.26 -4.02 119.74 112.77 1wdk s LYS 172 Ca 0.00 1.29 -0.21 0.00 -1.00 0.00 0.00 55.97 56.05 1wdk s LYS 172 Cb 0.00 -1.97 -0.08 0.00 -2.06 0.00 0.00 37.83 33.72 1wdk s LYS 172 CO 0.00 -1.13 0.68 -1.21 0.10 0.00 0.00 175.35 173.78 1wdk s GLU 173 N -4.20 4.30 -0.09 1.78 2.02 -1.26 -4.30 118.70 116.95 1wdk s GLU 173 Ca 0.65 0.88 0.03 0.00 0.02 0.00 0.00 54.97 56.54 1wdk s GLU 173 Cb -0.18 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 30.94 1wdk s GLU 173 CO 0.42 0.52 -0.18 -0.80 0.02 0.00 0.00 175.26 175.24 1wdk s ASN 174 N -1.36 3.62 0.64 -0.19 0.01 0.24 -4.92 114.94 112.99 1wdk s ASN 174 Ca 0.36 -0.38 -0.12 0.00 -0.71 0.00 0.00 52.86 52.01 1wdk s ASN 174 Cb -0.19 -1.22 -0.02 0.00 0.41 0.00 0.00 41.25 40.23 1wdk s ASN 174 CO 0.22 0.22 1.04 -0.13 -1.51 0.00 0.00 177.10 176.94 1wdk s ARG 175 N -0.01 3.28 0.22 -0.60 0.52 -1.26 -1.69 118.95 119.41 1wdk s ARG 175 Ca -0.06 0.93 -0.11 0.00 -0.52 0.00 0.00 55.73 55.98 1wdk s ARG 175 Cb -0.15 -2.04 0.31 0.00 0.52 0.00 0.00 34.95 33.60 1wdk s ARG 175 CO 0.05 -0.83 1.64 0.00 0.02 0.00 0.00 175.30 176.18 1wdk h ALA 176 N -0.28 0.58 -0.19 2.13 0.00 -1.79 -0.64 119.26 119.07 1wdk h ALA 176 Ca -0.45 0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1wdk h ALA 176 Cb 1.20 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 1wdk h ALA 176 CO 0.59 -0.42 -0.32 1.49 0.00 0.00 0.00 179.25 180.59 1wdk h GLU 177 N 0.06 -0.35 -0.43 0.00 4.81 -1.92 -1.49 114.58 115.25 1wdk h GLU 177 Ca 0.34 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.51 1wdk h GLU 177 Cb 0.56 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1wdk h GLU 177 CO -0.62 -0.23 -0.09 -0.44 -0.73 0.00 0.00 179.01 176.89 1wdk h ASP 178 N -0.36 0.74 -0.20 1.04 3.32 -1.73 -2.62 116.42 116.62 1wdk h ASP 178 Ca 0.11 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 1wdk h ASP 178 Cb 0.54 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1wdk h ASP 178 CO -0.39 0.87 0.04 0.00 -1.72 0.00 0.00 179.24 178.04 1wdk h ALA 179 N 1.21 1.55 -0.15 3.45 0.00 -0.69 -2.37 119.26 122.25 1wdk h ALA 179 Ca 0.12 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1wdk h ALA 179 Cb 0.56 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1wdk h ALA 179 CO 0.03 0.34 -0.71 1.25 0.00 0.00 0.00 179.25 180.16 1wdk h LEU 180 N 0.41 0.89 -1.65 0.00 6.46 -1.03 0.95 115.31 121.34 1wdk h LEU 180 Ca 0.10 -0.62 -0.02 0.00 -0.12 0.00 0.00 57.88 57.21 1wdk h LEU 180 Cb 0.20 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1wdk h LEU 180 CO 0.00 1.37 0.03 0.11 -0.62 0.00 0.00 178.44 179.33 1wdk h LYS 181 N 0.47 0.26 -0.02 1.25 1.57 -1.07 -1.59 116.57 117.44 1wdk h LYS 181 Ca -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1wdk h LYS 181 Cb 1.34 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1wdk h LYS 181 CO 0.15 0.25 -0.14 1.33 -0.57 0.00 0.00 179.45 180.47 1wdk n VAL 182 N -4.42 0.00 -2.35 0.50 0.24 -0.98 -4.96 118.33 106.36 1wdk n VAL 182 Ca -0.00 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 61.81 1wdk n VAL 182 Cb 0.15 1.11 -0.00 0.00 -1.47 0.00 0.00 33.84 33.63 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 0.56 -4.30 0.18 -1.34 7.64 -0.60 -4.52 113.62 111.25 1wdk n SER 183 Ca 0.14 -0.04 0.05 0.00 1.01 0.00 0.00 58.87 60.03 1wdk n SER 183 Cb 0.49 -3.42 0.31 0.00 -1.01 0.00 0.00 64.21 60.58 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 0.65 0.97 -2.33 -0.43 0.00 -1.08 -3.44 119.26 113.60 1wdk h ALA 184 Ca -0.33 -0.36 -0.42 0.00 0.00 0.00 0.00 54.91 53.80 1wdk h ALA 184 Cb 1.24 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 1wdk h ALA 184 CO 0.38 0.49 -0.73 0.08 0.00 0.00 0.00 179.25 179.47 1wdk s VAL 185 N -3.56 1.56 -0.21 0.00 1.01 -1.08 -4.87 120.40 113.25 1wdk s VAL 185 Ca 0.00 -2.10 0.16 0.00 0.00 0.00 0.00 61.98 60.04 1wdk s VAL 185 Cb 0.11 -1.93 -0.23 0.00 0.00 0.00 0.00 36.38 34.33 1wdk s VAL 185 CO 0.69 -0.60 0.44 0.47 0.00 0.00 0.00 175.10 176.10 1wdk n ASP 186 N -0.20 1.13 -3.57 3.32 8.00 0.02 -4.56 116.55 120.70 1wdk n ASP 186 Ca -0.10 -0.23 -0.17 0.00 0.71 0.00 0.00 54.79 55.00 1wdk n ASP 186 Cb 0.60 1.55 -0.07 0.00 -0.02 0.00 0.00 41.12 43.18 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 -2.96 -1.59 -0.09 2.24 0.00 -1.19 -5.04 121.76 113.12 1wdk s ALA 187 Ca -0.03 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.15 1wdk s ALA 187 Cb 0.11 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1wdk s ALA 187 CO 0.67 -0.35 -0.12 0.08 0.00 0.00 0.00 175.76 176.04 1wdk s VAL 188 N -1.08 1.25 0.25 0.00 1.01 -1.26 -1.14 120.40 119.44 1wdk s VAL 188 Ca -0.10 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1wdk s VAL 188 Cb -0.01 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1wdk s VAL 188 CO 0.08 0.39 0.13 0.68 0.00 0.00 0.00 175.10 176.38 1wdk s VAL 189 N 1.06 0.30 0.86 2.92 -7.23 -0.42 -4.90 120.40 112.98 1wdk s VAL 189 Ca -0.06 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 57.99 1wdk s VAL 189 Cb -0.15 -2.56 0.11 0.00 0.56 0.00 0.00 36.38 34.34 1wdk s VAL 189 CO -0.01 0.00 1.09 0.42 -0.31 0.00 0.00 175.10 176.29 1wdk s THR 190 N -3.86 2.86 0.29 5.32 -4.23 -1.26 -0.63 115.64 114.13 1wdk s THR 190 Ca 0.38 0.28 -0.03 0.00 -1.18 0.00 0.00 61.69 61.14 1wdk s THR 190 Cb 0.07 -2.76 0.26 0.00 1.34 0.00 0.00 72.50 71.41 1wdk s THR 190 CO 0.14 -0.37 1.96 0.00 -0.54 0.00 0.00 174.62 175.81 1wdk h ALA 191 N -1.42 1.38 0.00 3.99 0.00 -1.95 -2.54 119.26 118.71 1wdk h ALA 191 Ca -0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1wdk h ALA 191 Cb 1.27 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1wdk h ALA 191 CO 0.53 0.57 -0.10 -0.44 0.00 0.00 0.00 179.25 179.81 1wdk h ASP 192 N 1.15 0.00 -0.09 0.00 3.32 -2.03 -3.08 116.42 115.69 1wdk h ASP 192 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1wdk h ASP 192 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1wdk h ASP 192 CO -0.06 0.10 0.00 0.29 -1.72 0.00 0.00 179.24 177.84 1wdk n LYS 193 N -3.38 1.69 -0.17 3.56 5.02 -0.98 -4.59 118.16 119.31 1wdk n LYS 193 Ca -0.01 -1.69 -0.02 0.00 -2.02 0.00 0.00 58.31 54.58 1wdk n LYS 193 Cb 0.28 -1.36 0.07 0.00 -0.02 0.00 0.00 35.03 33.99 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 3.54 -0.27 -0.25 -0.35 6.46 -1.41 0.19 115.31 123.21 1wdk h LEU 194 Ca 0.00 0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1wdk h LEU 194 Cb 0.77 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 1wdk h LEU 194 CO 0.00 -0.10 0.15 1.23 -0.62 0.00 0.00 178.44 179.10 1wdk h GLY 195 N 0.10 0.37 1.07 3.75 0.00 -1.82 -1.10 103.07 105.43 1wdk h GLY 195 Ca 0.27 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 1wdk h GLY 195 CO -0.46 0.15 0.08 0.00 0.00 0.00 0.00 176.54 176.31 1wdk h ALA 196 N 1.05 0.86 -0.58 3.60 0.00 -1.68 -0.88 119.26 121.62 1wdk h ALA 196 Ca 0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1wdk h ALA 196 Cb 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1wdk h ALA 196 CO -0.02 0.64 0.22 0.00 0.00 0.00 0.00 179.25 180.09 1wdk h ALA 197 N 1.03 0.76 -0.43 0.00 0.00 -0.47 0.29 119.26 120.45 1wdk h ALA 197 Ca 0.19 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1wdk h ALA 197 Cb 0.46 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1wdk h ALA 197 CO 0.02 0.39 -0.13 0.00 0.00 0.00 0.00 179.25 179.53 1wdk h ALA 198 N 1.07 0.96 -0.34 0.00 0.00 -0.98 0.57 119.26 120.53 1wdk h ALA 198 Ca 0.19 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1wdk h ALA 198 Cb 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wdk h ALA 198 CO -0.01 0.61 -0.40 1.25 0.00 0.00 0.00 179.25 180.70 1wdk h LEU 199 N 0.71 0.95 -0.47 0.00 7.12 -0.82 -2.05 115.31 120.75 1wdk h LEU 199 Ca 0.12 -0.48 -0.09 0.00 0.13 0.00 0.00 57.88 57.56 1wdk h LEU 199 Cb 0.62 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.47 1wdk h LEU 199 CO 0.04 1.24 -0.04 -0.78 -0.13 0.00 0.00 178.44 178.77 1wdk h ASP 200 N 0.68 0.85 -0.32 1.25 1.82 -0.19 -2.73 116.42 117.78 1wdk h ASP 200 Ca 0.05 -0.33 -0.04 0.00 -0.39 0.00 0.00 57.03 56.32 1wdk h ASP 200 Cb 1.00 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.77 1wdk h ASP 200 CO 0.10 0.98 0.06 0.25 -1.61 0.00 0.00 179.24 179.02 1wdk h LEU 201 N 0.71 0.50 -0.90 2.28 6.46 -0.85 -2.81 115.31 120.69 1wdk h LEU 201 Ca 0.13 -0.25 0.04 0.00 -0.12 0.00 0.00 57.88 57.68 1wdk h LEU 201 Cb 0.57 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.31 1wdk h LEU 201 CO 0.03 0.62 0.58 0.40 -0.62 0.00 0.00 178.44 179.46 1wdk h ILE 202 N 0.36 1.12 -0.48 4.05 1.08 -1.33 -1.96 117.51 120.35 1wdk h ILE 202 Ca 0.10 -0.38 -0.06 0.00 -0.39 0.00 0.00 64.86 64.14 1wdk h ILE 202 Cb 0.32 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.97 1wdk h ILE 202 CO 0.00 0.20 0.07 0.11 -0.69 0.00 0.00 178.15 177.85 1wdk h LYS 203 N 1.10 0.75 0.00 2.37 1.57 -1.36 -0.69 116.57 120.32 1wdk h LYS 203 Ca 0.37 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1wdk h LYS 203 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1wdk h LYS 203 CO -0.14 0.71 -0.20 0.00 -0.57 0.00 0.00 179.45 179.25 1wdk h ARG 204 N 0.72 0.00 0.15 3.15 3.08 -1.12 0.04 114.38 120.39 1wdk h ARG 204 Ca 0.15 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.93 1wdk h ARG 204 Cb 0.34 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.41 1wdk h ARG 204 CO 0.01 0.20 -1.15 0.00 -1.07 0.00 0.00 179.97 177.95 1wdk h ALA 205 N 1.80 -0.06 -0.44 0.04 0.00 -0.67 0.22 119.26 120.14 1wdk h ALA 205 Ca -0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 54.91 54.09 1wdk h ALA 205 Cb 0.70 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1wdk h ALA 205 CO 0.03 0.59 0.04 0.82 0.00 0.00 0.00 179.25 180.72 1wdk h ILE 206 N 0.07 1.25 0.00 0.00 2.04 -0.87 -2.60 117.51 117.41 1wdk h ILE 206 Ca -0.19 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1wdk h ILE 206 Cb 1.87 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1wdk h ILE 206 CO 0.22 0.34 0.00 -1.54 0.00 0.00 0.00 178.15 177.17 1wdk n SER 207 N -4.43 0.54 0.00 1.72 3.41 -0.03 -4.85 113.62 109.98 1wdk n SER 207 Ca 0.00 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1wdk n SER 207 Cb 0.27 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 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 -0.10 0.71 0.36 5.00 0.00 -0.98 -4.93 105.19 105.24 1wdk n GLY 208 Ca 0.02 0.00 -0.02 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 4.21 1.17 -5.29 1.61 4.81 -1.06 -3.38 114.58 116.65 1wdk h GLU 209 Ca 0.00 -0.10 -0.64 0.00 -0.13 0.00 0.00 59.36 58.49 1wdk h GLU 209 Cb 0.00 -0.25 -0.24 0.00 0.63 0.00 0.00 28.75 28.89 1wdk h GLU 209 CO 0.00 0.81 -0.70 -0.51 -0.73 0.00 0.00 179.01 177.88 1wdk s LEU 210 N -9.93 3.07 -1.05 1.64 1.43 0.50 -4.98 118.68 109.35 1wdk s LEU 210 Ca -0.12 -0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 52.59 1wdk s LEU 210 Cb 0.17 -1.73 0.11 0.00 0.03 0.00 0.00 46.19 44.78 1wdk s LEU 210 CO 0.81 0.16 1.34 -0.62 0.23 0.00 0.00 176.35 178.26 1wdk s ASP 211 N 0.42 6.72 0.47 2.29 -1.08 -1.26 -4.42 116.67 119.81 1wdk s ASP 211 Ca -0.06 -2.16 0.13 0.00 -0.52 0.00 0.00 52.55 49.94 1wdk s ASP 211 Cb -0.15 -2.46 1.09 0.00 -1.46 0.00 0.00 42.92 39.94 1wdk s ASP 211 CO 0.04 -1.11 2.07 0.10 0.52 0.00 0.00 175.17 176.79 1wdk h TYR 212 N 8.55 0.11 -0.41 -5.34 -0.00 -1.94 -1.80 116.97 116.14 1wdk h TYR 212 Ca 0.23 -0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.89 1wdk h TYR 212 Cb 0.97 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 37.65 1wdk h TYR 212 CO 1.21 0.14 -0.04 0.87 -0.00 0.00 0.00 178.16 180.33 1wdk h LYS 213 N 0.12 0.76 -0.30 0.10 1.79 -1.97 -1.83 116.57 115.24 1wdk h LYS 213 Ca 0.03 -0.26 -0.10 0.00 -2.18 0.00 0.00 60.65 58.13 1wdk h LYS 213 Cb 0.10 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1wdk h LYS 213 CO 0.00 0.86 -0.25 0.00 -1.08 0.00 0.00 179.45 178.98 1wdk h ALA 214 N 0.87 1.01 0.00 3.86 0.00 -1.84 -1.36 119.26 121.81 1wdk h ALA 214 Ca 0.11 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1wdk h ALA 214 Cb 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1wdk h ALA 214 CO 0.03 0.59 -0.34 -0.22 0.00 0.00 0.00 179.25 179.30 1wdk h LYS 215 N 0.52 0.00 0.22 0.00 3.64 -1.13 -3.15 116.57 116.67 1wdk h LYS 215 Ca 0.07 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.14 1wdk h LYS 215 Cb 0.70 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.55 1wdk h LYS 215 CO 0.05 0.34 -1.42 -0.09 -2.27 0.00 0.00 179.45 176.06 1wdk h ARG 216 N 0.00 0.47 -0.91 1.90 2.43 -1.01 -3.39 114.38 113.87 1wdk h ARG 216 Ca -0.00 -0.80 0.20 0.00 -0.81 0.00 0.00 59.98 58.57 1wdk h ARG 216 Cb 0.75 0.30 -0.17 0.00 -0.42 0.00 0.00 29.97 30.43 1wdk h ARG 216 CO 0.04 1.38 -0.16 0.94 -1.51 0.00 0.00 179.97 180.66 1wdk n GLN 217 N -3.77 -0.08 -0.27 0.20 -0.06 -0.54 -1.74 117.38 111.12 1wdk n GLN 217 Ca -0.18 1.40 0.28 0.00 -2.00 0.00 0.00 57.00 56.50 1wdk n GLN 217 Cb 1.05 -2.13 0.66 0.00 -4.06 0.00 0.00 30.24 25.76 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 0.14 -0.36 3.69 0.11 -1.76 0.15 132.00 133.97 1wdk h PRO 218 Ca 0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1wdk h PRO 218 Cb 0.79 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1wdk h PRO 218 CO -0.91 0.09 0.00 0.36 -0.21 0.00 0.00 178.00 177.33 1wdk n LYS 219 N -4.36 1.82 -0.09 1.05 2.85 -0.71 -3.39 118.16 115.33 1wdk n LYS 219 Ca 0.23 -1.21 0.04 0.00 -1.05 0.00 0.00 58.31 56.31 1wdk n LYS 219 Cb 1.01 -1.29 0.09 0.00 -0.65 0.00 0.00 35.03 34.18 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 0.47 2.36 -4.21 -5.58 4.77 0.53 -4.31 117.00 111.03 1wdk n LEU 220 Ca 0.11 -1.71 -0.16 0.00 -0.03 0.00 0.00 56.01 54.22 1wdk n LEU 220 Cb 0.30 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 1wdk n LEU 220 CO 0.08 0.57 -0.08 -1.83 -1.33 0.00 0.00 177.39 174.80 1wdk s GLU 221 N -0.90 1.65 0.85 3.23 -1.05 -1.22 -3.97 118.70 117.29 1wdk s GLU 221 Ca 0.14 -1.84 -0.11 0.00 -0.15 0.00 0.00 54.97 53.01 1wdk s GLU 221 Cb 0.08 0.34 0.11 0.00 -0.44 0.00 0.00 34.13 34.22 1wdk s GLU 221 CO 0.11 -0.62 1.14 -1.59 0.95 0.00 0.00 175.26 175.26 1wdk s LYS 222 N -3.56 1.47 0.84 -4.83 -2.85 -1.13 -4.63 119.74 105.05 1wdk s LYS 222 Ca 0.38 1.50 -0.11 0.00 -1.00 0.00 0.00 55.97 56.73 1wdk s LYS 222 Cb 0.03 -1.78 0.10 0.00 -2.06 0.00 0.00 37.83 34.12 1wdk s LYS 222 CO 0.22 -2.28 1.14 -0.51 0.10 0.00 0.00 175.35 174.01 1wdk s LEU 223 N -6.23 2.98 0.40 2.77 1.43 -0.20 -4.93 118.68 114.91 1wdk s LEU 223 Ca 0.67 2.11 0.22 0.00 -1.03 0.00 0.00 54.13 56.10 1wdk s LEU 223 Cb -0.22 -4.56 0.28 0.00 0.03 0.00 0.00 46.19 41.72 1wdk s LEU 223 CO 0.55 -2.66 1.53 0.11 0.23 0.00 0.00 176.35 176.12 1wdk h LYS 224 N -1.39 0.00 -6.93 1.70 1.57 -1.94 -3.47 116.57 106.11 1wdk h LYS 224 Ca -0.44 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.78 1wdk h LYS 224 Cb 1.26 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.72 1wdk h LYS 224 CO 0.46 0.03 0.40 1.28 -0.57 0.00 0.00 179.45 181.05 1wdk n LEU 225 N -3.06 4.67 -4.67 2.94 4.32 -1.26 -5.01 117.00 114.94 1wdk n LEU 225 Ca 0.03 0.92 -0.29 0.00 -0.02 0.00 0.00 56.01 56.65 1wdk n LEU 225 Cb 0.55 -1.49 0.17 0.00 -1.62 0.00 0.00 43.42 41.02 1wdk n LEU 225 CO 0.35 -1.10 0.64 0.21 -1.22 0.00 0.00 177.39 176.27 1wdk s ASN 226 N -1.03 2.84 0.16 -1.43 3.84 -1.26 -4.77 114.94 113.30 1wdk s ASN 226 Ca 0.73 1.54 -0.11 0.00 0.21 0.00 0.00 52.86 55.23 1wdk s ASN 226 Cb -0.43 -2.20 0.04 0.00 -0.55 0.00 0.00 41.25 38.10 1wdk s ASN 226 CO 0.49 -3.04 1.61 0.00 -2.79 0.00 0.00 177.10 173.36 1wdk h ALA 227 N -1.83 0.73 0.29 1.71 0.00 -1.98 0.11 119.26 118.29 1wdk h ALA 227 Ca -0.52 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 1wdk h ALA 227 Cb 1.30 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1wdk h ALA 227 CO 0.53 0.57 -0.14 0.82 0.00 0.00 0.00 179.25 181.03 1wdk h ILE 228 N 0.85 0.75 -0.21 0.00 1.08 -2.00 -1.48 117.51 116.49 1wdk h ILE 228 Ca 0.15 -0.24 -0.05 0.00 -0.39 0.00 0.00 64.86 64.34 1wdk h ILE 228 Cb 0.57 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1wdk h ILE 228 CO 0.03 0.05 -0.08 -0.33 -0.69 0.00 0.00 178.15 177.14 1wdk h GLU 229 N -0.51 0.33 0.00 2.37 4.39 -1.90 -2.00 114.58 117.26 1wdk h GLU 229 Ca -0.04 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1wdk h GLU 229 Cb 0.38 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1wdk h GLU 229 CO 0.06 0.42 -0.00 1.96 -1.16 0.00 0.00 179.01 180.30 1wdk h GLN 230 N 0.32 -0.00 -0.27 2.33 4.20 -0.61 0.48 115.11 121.55 1wdk h GLN 230 Ca 0.07 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.81 1wdk h GLN 230 Cb 0.34 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 1wdk h GLN 230 CO 0.02 0.10 0.06 1.98 -0.67 0.00 0.00 178.83 180.31 1wdk h MET 231 N -0.10 0.16 -0.10 1.46 4.05 -0.92 0.26 114.93 119.73 1wdk h MET 231 Ca -0.00 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.44 1wdk h MET 231 Cb 0.10 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1wdk h MET 231 CO 0.00 0.10 -0.05 1.98 0.23 0.00 0.00 176.91 179.17 1wdk h MET 232 N 0.16 -0.05 0.05 0.39 1.85 -1.19 0.01 114.93 116.15 1wdk h MET 232 Ca 0.13 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.22 1wdk h MET 232 Cb 0.13 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.17 1wdk h MET 232 CO -0.16 -0.03 -0.02 0.00 -0.40 0.00 0.00 176.91 176.29 1wdk h ALA 233 N 1.05 -0.07 -0.29 0.39 0.00 -0.28 -2.03 119.26 118.02 1wdk h ALA 233 Ca 0.06 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1wdk h ALA 233 Cb 0.14 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wdk h ALA 233 CO -0.13 -0.50 -0.34 0.74 0.00 0.00 0.00 179.25 179.02 1wdk h PHE 234 N -0.14 0.90 -0.53 0.00 -1.00 -0.45 -1.75 116.94 113.98 1wdk h PHE 234 Ca -0.01 -0.28 -0.10 0.00 2.81 0.00 0.00 57.97 60.39 1wdk h PHE 234 Cb 0.12 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 1wdk h PHE 234 CO -0.05 1.05 -0.06 0.93 -1.61 0.00 0.00 178.31 178.57 1wdk h GLU 235 N 0.50 0.94 -0.21 1.51 4.39 -1.03 -0.12 114.58 120.56 1wdk h GLU 235 Ca 0.04 -0.31 -0.18 0.00 0.34 0.00 0.00 59.36 59.26 1wdk h GLU 235 Cb 0.92 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1wdk h GLU 235 CO 0.08 0.97 -0.58 1.79 -1.16 0.00 0.00 179.01 180.11 1wdk h THR 236 N 0.85 1.31 0.04 1.13 1.35 -1.39 -0.84 112.91 115.36 1wdk h THR 236 Ca 0.15 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 1wdk h THR 236 Cb 0.59 1.77 -0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1wdk h THR 236 CO 0.04 0.57 -0.03 0.00 -0.25 0.00 0.00 175.52 175.85 1wdk h ALA 237 N 0.85 -0.06 -0.29 6.62 0.00 -1.04 0.33 119.26 125.67 1wdk h ALA 237 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wdk h ALA 237 Cb 1.15 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1wdk h ALA 237 CO 0.12 -0.54 0.17 0.87 0.00 0.00 0.00 179.25 179.86 1wdk h LYS 238 N -0.07 0.33 -0.18 0.00 1.57 -0.97 0.21 116.57 117.46 1wdk h LYS 238 Ca -0.00 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1wdk h LYS 238 Cb 0.06 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1wdk h LYS 238 CO -0.00 0.22 0.03 0.78 -0.57 0.00 0.00 179.45 179.90 1wdk h GLY 239 N 0.34 0.19 0.75 3.86 0.00 -0.74 0.37 103.07 107.84 1wdk h GLY 239 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1wdk h GLY 239 CO -0.05 -0.01 -0.04 -2.75 0.00 0.00 0.00 176.54 173.69 1wdk h PHE 240 N 0.09 -0.10 -0.67 5.60 3.57 -0.11 -2.82 116.94 122.51 1wdk h PHE 240 Ca 0.08 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1wdk h PHE 240 Cb 0.08 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1wdk h PHE 240 CO -0.14 0.16 0.32 0.28 -2.23 0.00 0.00 178.31 176.70 1wdk h VAL 241 N -0.36 1.22 0.46 1.41 2.07 -0.47 -3.05 116.25 117.53 1wdk h VAL 241 Ca -0.01 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1wdk h VAL 241 Cb 0.31 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1wdk h VAL 241 CO 0.02 0.26 -0.37 0.00 0.02 0.00 0.00 177.57 177.49 1wdk h ALA 242 N 1.40 -0.86 0.00 1.67 0.00 -0.18 0.73 119.26 122.02 1wdk h ALA 242 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wdk h ALA 242 Cb 0.10 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wdk h ALA 242 CO -0.03 -1.01 0.00 0.41 0.00 0.00 0.00 179.25 178.62 1wdk n GLY 243 N -1.49 -0.57 0.01 0.00 0.00 -1.07 -1.53 105.19 100.54 1wdk n GLY 243 Ca -0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.74 3.63 -0.03 1.61 7.27 -0.81 -4.72 117.38 123.58 1wdk n GLN 244 Ca 0.07 -0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.97 1wdk n GLN 244 Cb 0.03 -1.04 -0.14 0.00 2.41 0.00 0.00 30.24 31.50 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 -2.07 1.19 0.00 1.69 0.00 0.18 -5.10 120.51 116.40 1wdk n ALA 245 Ca -0.03 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1wdk n ALA 245 Cb 0.55 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 1.89 2.31 0.27 0.00 0.00 -0.58 -4.55 105.19 104.53 1wdk n GLY 246 Ca -0.30 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.04 1.61 0.11 -1.97 -2.97 132.00 128.74 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 0.09 0.00 0.09 -0.21 0.00 0.00 178.00 177.97 1wdk n ASN 248 N -3.37 0.38 -3.84 -2.05 3.02 -1.26 -4.51 115.26 103.63 1wdk n ASN 248 Ca -0.01 -1.52 -0.30 0.00 -0.03 0.00 0.00 54.58 52.72 1wdk n ASN 248 Cb 0.27 -0.03 -0.14 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.95 2.60 0.18 3.10 1.51 -1.13 -4.91 117.35 116.77 1wdk s TYR 249 Ca 0.27 -2.79 -0.12 0.00 -1.01 0.00 0.00 57.07 53.42 1wdk s TYR 249 Cb 0.13 -2.36 0.10 0.00 -0.11 0.00 0.00 41.96 39.71 1wdk s TYR 249 CO 0.21 -0.77 1.83 -1.35 -1.11 0.00 0.00 175.55 174.36 1wdk h PRO 250 N 6.68 0.83 -0.57 -1.71 0.11 -1.86 -3.36 132.00 132.11 1wdk h PRO 250 Ca -0.05 -0.07 0.05 0.00 0.11 0.00 0.00 66.00 66.04 1wdk h PRO 250 Cb 0.91 -0.18 -0.07 0.00 0.11 0.00 0.00 31.00 31.78 1wdk h PRO 250 CO 0.58 0.59 -0.35 0.00 -0.21 0.00 0.00 178.00 178.61 1wdk h ALA 251 N 1.19 -0.34 -0.54 -0.75 0.00 -1.89 -0.10 119.26 116.84 1wdk h ALA 251 Ca 0.22 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.31 1wdk h ALA 251 Cb -0.03 1.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 1wdk h ALA 251 CO -0.04 -0.58 -0.11 -1.35 0.00 0.00 0.00 179.25 177.17 1wdk h PRO 252 N -0.01 0.02 -0.33 0.00 0.11 -1.88 -1.13 132.00 128.78 1wdk h PRO 252 Ca 0.09 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.06 1wdk h PRO 252 Cb 0.25 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1wdk h PRO 252 CO -0.55 0.01 -0.35 0.28 -0.21 0.00 0.00 178.00 177.18 1wdk h VAL 253 N 0.02 1.28 -0.71 3.15 2.07 -1.68 -2.97 116.25 117.41 1wdk h VAL 253 Ca 0.26 -1.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 1wdk h VAL 253 Cb 0.40 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1wdk h VAL 253 CO -0.54 0.49 0.35 -0.33 0.02 0.00 0.00 177.57 177.57 1wdk h GLU 254 N 0.63 1.02 -0.75 1.57 4.39 -0.28 0.14 114.58 121.30 1wdk h GLU 254 Ca 0.06 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 59.67 1wdk h GLU 254 Cb 0.89 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.30 1wdk h GLU 254 CO 0.08 0.80 0.45 0.00 -1.16 0.00 0.00 179.01 179.18 1wdk h ALA 255 N 1.17 1.01 -0.40 3.43 0.00 -1.17 0.36 119.26 123.67 1wdk h ALA 255 Ca 0.25 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1wdk h ALA 255 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1wdk h ALA 255 CO -0.03 0.18 0.08 0.82 0.00 0.00 0.00 179.25 180.30 1wdk h ILE 256 N 0.84 1.24 -0.43 0.00 2.04 -1.26 -1.26 117.51 118.68 1wdk h ILE 256 Ca 0.33 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1wdk h ILE 256 Cb 0.14 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1wdk h ILE 256 CO -0.16 0.29 0.15 0.11 0.00 0.00 0.00 178.15 178.54 1wdk h LYS 257 N 0.51 0.62 -0.31 2.37 1.57 0.12 0.28 116.57 121.72 1wdk h LYS 257 Ca 0.12 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1wdk h LYS 257 Cb 0.34 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1wdk h LYS 257 CO 0.00 0.53 -0.12 1.15 -0.57 0.00 0.00 179.45 180.44 1wdk h THR 258 N 0.61 1.29 -0.33 -0.16 2.02 0.02 -0.28 112.91 116.07 1wdk h THR 258 Ca 0.15 -1.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.04 1wdk h THR 258 Cb 0.16 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1wdk h THR 258 CO -0.01 0.39 -0.18 0.40 0.37 0.00 0.00 175.52 176.48 1wdk h ILE 259 N 0.39 1.26 -0.51 3.11 2.04 -0.79 -1.85 117.51 121.17 1wdk h ILE 259 Ca 0.07 -1.21 -0.13 0.00 1.00 0.00 0.00 64.86 64.60 1wdk h ILE 259 Cb 0.63 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1wdk h ILE 259 CO 0.04 0.40 -0.19 -0.61 0.00 0.00 0.00 178.15 177.79 1wdk h GLN 260 N 0.55 1.02 0.00 2.37 4.15 -0.80 -1.01 115.11 121.39 1wdk h GLN 260 Ca 0.09 -0.42 -0.10 0.00 0.77 0.00 0.00 58.65 58.99 1wdk h GLN 260 Cb 0.63 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 1wdk h GLN 260 CO 0.04 1.11 -0.47 0.87 -1.93 0.00 0.00 178.83 178.45 1wdk h LYS 261 N 0.88 0.00 -0.02 1.69 1.57 -0.80 -3.03 116.57 116.87 1wdk h LYS 261 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1wdk h LYS 261 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1wdk h LYS 261 CO 0.06 0.47 -0.22 0.00 -0.57 0.00 0.00 179.45 179.20 1wdk n ALA 262 N -2.45 3.00 -0.33 3.86 0.00 -0.72 -4.58 120.51 119.29 1wdk n ALA 262 Ca -0.02 -0.52 0.23 0.00 0.00 0.00 0.00 53.44 53.13 1wdk n ALA 262 Cb 0.49 -1.00 0.43 0.00 0.00 0.00 0.00 19.45 19.37 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 0.03 0.74 -0.91 0.00 0.00 -0.39 -0.22 120.51 119.75 1wdk n ALA 263 Ca 0.13 1.03 0.08 0.00 0.00 0.00 0.00 53.44 54.68 1wdk n ALA 263 Cb 0.42 -0.88 0.36 0.00 0.00 0.00 0.00 19.45 19.35 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 -5.35 5.15 -4.77 0.00 3.02 -1.26 -1.04 115.26 111.00 1wdk n ASN 264 Ca 0.30 -2.93 -0.22 0.00 -0.03 0.00 0.00 54.58 51.70 1wdk n ASN 264 Cb 1.00 -0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 39.48 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 -2.73 2.96 0.00 3.10 2.99 0.69 -4.68 117.98 120.31 1wdk s PHE 265 Ca 0.51 -0.17 0.00 0.00 0.00 0.00 0.00 56.93 57.27 1wdk s PHE 265 Cb 0.39 -1.39 0.00 0.00 0.00 0.00 0.00 43.02 42.02 1wdk s PHE 265 CO 0.14 0.51 0.00 0.41 -0.00 0.00 0.00 175.22 176.28 1wdk n GLY 266 N -1.12 0.02 0.53 4.36 0.00 -1.26 -2.84 105.19 104.88 1wdk n GLY 266 Ca -0.07 -1.80 -0.20 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.24 -0.68 1.61 2.43 -1.75 -2.54 114.38 112.21 1wdk h ARG 267 Ca 0.00 0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1wdk h ARG 267 Cb 0.00 0.28 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 1wdk h ARG 267 CO 0.00 -0.83 0.35 -0.44 -1.51 0.00 0.00 179.97 177.55 1wdk h ASP 268 N -1.29 0.49 -0.14 -3.80 3.32 -1.94 0.94 116.42 114.01 1wdk h ASP 268 Ca -0.12 0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.81 1wdk h ASP 268 Cb 1.00 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 1wdk h ASP 268 CO 0.18 0.30 -0.51 0.11 -1.72 0.00 0.00 179.24 177.59 1wdk h LYS 269 N 0.63 0.71 -0.14 3.56 6.56 -1.95 -2.66 116.57 123.28 1wdk h LYS 269 Ca 0.32 -0.43 -0.06 0.00 -1.06 0.00 0.00 60.65 59.42 1wdk h LYS 269 Cb 0.28 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 1wdk h LYS 269 CO -0.23 1.05 -0.17 0.00 -2.06 0.00 0.00 179.45 178.05 1wdk h ALA 270 N 0.87 1.46 -0.31 3.86 0.00 -0.96 -1.91 119.26 122.27 1wdk h ALA 270 Ca 0.02 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1wdk h ALA 270 Cb 1.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1wdk h ALA 270 CO 0.11 0.38 -0.31 -0.07 0.00 0.00 0.00 179.25 179.35 1wdk h LEU 271 N 0.21 0.70 -0.56 0.00 3.38 -0.60 -1.95 115.31 116.49 1wdk h LEU 271 Ca 0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1wdk h LEU 271 Cb 0.43 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1wdk h LEU 271 CO 0.03 0.96 0.20 -0.33 0.09 0.00 0.00 178.44 179.39 1wdk h GLU 272 N 0.57 0.86 -0.75 1.13 5.08 -1.02 0.13 114.58 120.58 1wdk h GLU 272 Ca 0.07 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1wdk h GLU 272 Cb 0.82 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1wdk h GLU 272 CO 0.07 0.76 0.27 0.28 -1.00 0.00 0.00 179.01 179.39 1wdk h VAL 273 N 0.78 1.26 0.07 3.13 2.07 -1.25 -1.85 116.25 120.44 1wdk h VAL 273 Ca 0.18 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1wdk h VAL 273 Cb 0.24 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1wdk h VAL 273 CO -0.01 0.34 -0.03 -0.08 0.02 0.00 0.00 177.57 177.81 1wdk h GLU 274 N 1.10 -0.09 -0.54 1.57 4.81 -0.84 -2.80 114.58 117.79 1wdk h GLU 274 Ca 0.25 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.55 1wdk h GLU 274 Cb 0.25 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 1wdk h GLU 274 CO -0.02 0.11 0.23 0.00 -0.73 0.00 0.00 179.01 178.61 1wdk h ALA 275 N 0.64 0.69 -0.42 2.92 0.00 -0.53 -0.03 119.26 122.52 1wdk h ALA 275 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wdk h ALA 275 Cb 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1wdk h ALA 275 CO 0.02 -0.15 0.28 0.00 0.00 0.00 0.00 179.25 179.39 1wdk h ALA 276 N 1.33 0.54 -0.17 0.00 0.00 -1.33 -0.21 119.26 119.41 1wdk h ALA 276 Ca 0.25 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1wdk h ALA 276 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1wdk h ALA 276 CO -0.22 -0.02 -0.39 0.78 0.00 0.00 0.00 179.25 179.40 1wdk h GLY 277 N 0.56 0.42 0.83 0.00 0.00 -1.20 -2.40 103.07 101.27 1wdk h GLY 277 Ca 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1wdk h GLY 277 CO -0.04 0.36 -0.11 -2.75 0.00 0.00 0.00 176.54 174.00 1wdk h PHE 278 N 0.32 -0.28 -0.66 5.60 3.57 -0.57 -1.61 116.94 123.32 1wdk h PHE 278 Ca 0.03 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1wdk h PHE 278 Cb 0.83 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.59 1wdk h PHE 278 CO 0.02 -0.04 0.30 0.00 -2.23 0.00 0.00 178.31 176.36 1wdk h ALA 279 N 0.26 0.89 -0.19 2.41 0.00 -0.99 -0.50 119.26 121.14 1wdk h ALA 279 Ca -0.03 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1wdk h ALA 279 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1wdk h ALA 279 CO 0.05 -0.12 0.06 -0.22 0.00 0.00 0.00 179.25 179.02 1wdk h LYS 280 N 0.51 0.15 -0.64 0.00 3.64 -1.24 -2.95 116.57 116.04 1wdk h LYS 280 Ca 0.33 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1wdk h LYS 280 Cb 0.38 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1wdk h LYS 280 CO -0.29 0.10 0.12 -0.07 -2.27 0.00 0.00 179.45 177.04 1wdk h LEU 281 N 0.15 1.01 -2.72 5.20 3.38 -0.68 -2.78 115.31 118.87 1wdk h LEU 281 Ca 0.08 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1wdk h LEU 281 Cb 0.06 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1wdk h LEU 281 CO -0.09 1.00 0.08 0.00 0.09 0.00 0.00 178.44 179.52 1wdk h ALA 282 N 1.04 1.13 -0.01 1.53 0.00 -0.94 -0.89 119.26 121.14 1wdk h ALA 282 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1wdk h ALA 282 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wdk h ALA 282 CO 0.01 -0.09 -0.73 1.63 0.00 0.00 0.00 179.25 180.07 1wdk n LYS 283 N -3.10 0.53 -1.48 0.00 4.76 -1.06 -4.72 118.16 113.08 1wdk n LYS 283 Ca -0.03 -0.43 -0.32 0.00 -2.87 0.00 0.00 58.31 54.66 1wdk n LYS 283 Cb 0.15 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 31.93 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 -2.77 3.06 0.21 -0.18 -4.23 -0.34 -4.95 115.64 106.44 1wdk s THR 284 Ca 0.13 0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 61.06 1wdk s THR 284 Cb 0.17 -2.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 1wdk s THR 284 CO 0.72 -0.36 1.54 -1.28 -0.54 0.00 0.00 174.62 174.70 1wdk h SER 285 N -0.51 0.57 -0.54 3.99 0.87 -1.94 -2.97 113.55 113.03 1wdk h SER 285 Ca -0.46 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 59.81 1wdk h SER 285 Cb 1.25 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 63.02 1wdk h SER 285 CO 0.52 0.98 0.33 0.00 -0.53 0.00 0.00 176.83 178.13 1wdk h ALA 286 N 1.03 0.68 0.71 6.23 0.00 -1.91 -2.27 119.26 123.73 1wdk h ALA 286 Ca 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1wdk h ALA 286 Cb 1.04 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1wdk h ALA 286 CO 0.10 0.16 -0.34 1.03 0.00 0.00 0.00 179.25 180.19 1wdk h SER 287 N 0.72 -0.82 0.49 0.00 0.87 -1.77 -0.26 113.55 112.79 1wdk h SER 287 Ca 0.19 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1wdk h SER 287 Cb -0.02 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1wdk h SER 287 CO -0.04 -0.58 -0.08 -0.55 -0.53 0.00 0.00 176.83 175.05 1wdk h ASN 288 N -0.95 0.00 0.33 6.23 -0.00 -1.53 0.20 115.58 119.86 1wdk h ASN 288 Ca -0.10 0.00 -0.22 0.00 -0.00 0.00 0.00 56.30 55.98 1wdk h ASN 288 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.06 1wdk h ASN 288 CO 0.16 0.08 -0.93 0.00 -0.00 0.00 0.00 177.43 176.74 1wdk h LEU 290 N 0.23 0.99 -1.13 0.00 3.38 0.09 -2.10 115.31 116.76 1wdk h LEU 290 Ca -0.08 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 1wdk h LEU 290 Cb 1.56 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1wdk h LEU 290 CO 0.16 1.23 -0.36 0.40 0.09 0.00 0.00 178.44 179.96 1wdk h ILE 291 N 0.77 1.28 -0.01 1.22 2.04 -0.63 -2.14 117.51 120.04 1wdk h ILE 291 Ca 0.07 -1.33 -0.09 0.00 1.00 0.00 0.00 64.86 64.52 1wdk h ILE 291 Cb 0.93 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1wdk h ILE 291 CO 0.09 0.39 -0.41 1.23 0.00 0.00 0.00 178.15 179.45 1wdk h GLY 292 N 1.13 0.03 1.20 5.37 0.00 -0.70 -1.34 103.07 108.75 1wdk h GLY 292 Ca 0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 1wdk h GLY 292 CO 0.05 0.02 -0.08 1.41 0.00 0.00 0.00 176.54 177.95 1wdk h LEU 293 N 0.02 0.94 -0.72 3.11 3.38 -0.72 -0.46 115.31 120.86 1wdk h LEU 293 Ca -0.00 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1wdk h LEU 293 Cb 0.73 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1wdk h LEU 293 CO 0.05 1.04 0.31 0.15 0.09 0.00 0.00 178.44 180.08 1wdk h PHE 294 N 0.85 1.07 -0.54 1.13 3.04 -1.07 0.50 116.94 121.92 1wdk h PHE 294 Ca 0.14 -0.07 -0.07 0.00 3.98 0.00 0.00 57.97 61.95 1wdk h PHE 294 Cb 0.61 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 1wdk h PHE 294 CO 0.04 0.81 0.04 -0.07 -2.02 0.00 0.00 178.31 177.11 1wdk h LEU 295 N 1.02 0.84 -0.16 0.59 3.38 -0.89 -1.41 115.31 118.69 1wdk h LEU 295 Ca 0.24 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wdk h LEU 295 Cb 0.18 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1wdk h LEU 295 CO -0.02 0.88 0.08 0.78 0.09 0.00 0.00 178.44 180.25 1wdk h ASN 296 N 0.83 0.20 -0.65 -0.43 -0.26 -0.24 -1.61 115.58 113.41 1wdk h ASN 296 Ca 0.16 -0.10 0.08 0.00 -0.56 0.00 0.00 56.30 55.87 1wdk h ASN 296 Cb 0.44 -0.05 -0.06 0.00 -1.06 0.00 0.00 38.32 37.58 1wdk h ASN 296 CO 0.02 0.25 0.32 -0.78 -1.06 0.00 0.00 177.43 176.18 1wdk h ASP 297 N 0.14 0.43 -0.45 5.81 -0.00 -0.61 -0.10 116.42 121.64 1wdk h ASP 297 Ca 0.05 0.05 0.04 0.00 -0.00 0.00 0.00 57.03 57.18 1wdk h ASP 297 Cb 0.10 -0.03 -0.04 0.00 -0.00 0.00 0.00 39.33 39.36 1wdk h ASP 297 CO -0.01 0.27 0.21 1.56 -0.00 0.00 0.00 179.24 181.27 1wdk h GLN 298 N 0.58 0.42 -0.59 0.28 1.08 -0.91 0.22 115.11 116.17 1wdk h GLN 298 Ca 0.31 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.51 1wdk h GLN 298 Cb 0.28 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.58 1wdk h GLN 298 CO -0.23 0.28 0.36 0.93 -0.95 0.00 0.00 178.83 179.21 1wdk h GLU 299 N 0.43 0.69 -0.55 1.46 5.08 -0.24 -1.55 114.58 119.90 1wdk h GLU 299 Ca 0.20 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1wdk h GLU 299 Cb 0.13 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1wdk h GLU 299 CO -0.15 0.46 0.21 -0.07 -1.00 0.00 0.00 179.01 178.45 1wdk h LEU 300 N 0.71 0.73 -1.04 1.33 3.38 -0.30 -1.99 115.31 118.12 1wdk h LEU 300 Ca 0.24 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1wdk h LEU 300 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1wdk h LEU 300 CO -0.10 0.66 -0.45 0.11 0.09 0.00 0.00 178.44 178.75 1wdk h LYS 301 N 0.79 0.00 -0.24 1.13 1.57 -0.32 0.62 116.57 120.12 1wdk h LYS 301 Ca 0.19 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.77 1wdk h LYS 301 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1wdk h LYS 301 CO -0.02 0.45 -0.63 0.87 -0.57 0.00 0.00 179.45 179.55 1wdk h LYS 302 N 0.00 0.85 0.00 3.15 1.57 -0.61 -2.42 116.57 119.11 1wdk h LYS 302 Ca -0.00 -0.59 -0.09 0.00 -1.87 0.00 0.00 60.65 58.10 1wdk h LYS 302 Cb 0.85 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1wdk h LYS 302 CO 0.06 1.22 -0.41 0.87 -0.57 0.00 0.00 179.45 180.62 1wdk h LYS 303 N 0.63 0.00 -0.21 3.15 1.57 -1.11 -2.82 116.57 117.78 1wdk h LYS 303 Ca -0.01 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1wdk h LYS 303 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1wdk h LYS 303 CO 0.14 0.41 0.10 0.00 -0.57 0.00 0.00 179.45 179.52 1wdk h ALA 304 N 1.59 0.25 -0.70 3.86 0.00 -0.55 -1.38 119.26 122.33 1wdk h ALA 304 Ca -0.00 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1wdk h ALA 304 Cb 0.73 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1wdk h ALA 304 CO 0.05 -0.32 0.46 0.87 0.00 0.00 0.00 179.25 180.32 1wdk h LYS 305 N 0.21 0.81 -0.26 0.00 1.57 -1.19 -1.02 116.57 116.69 1wdk h LYS 305 Ca 0.09 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1wdk h LYS 305 Cb 0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1wdk h LYS 305 CO -0.06 0.53 -0.10 0.28 -0.57 0.00 0.00 179.45 179.53 1wdk h VAL 306 N 0.83 1.29 -0.48 0.50 2.07 -1.30 -2.96 116.25 116.20 1wdk h VAL 306 Ca 0.28 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.66 1wdk h VAL 306 Cb 0.09 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1wdk h VAL 306 CO -0.08 0.36 0.29 1.88 0.02 0.00 0.00 177.57 180.05 1wdk h TYR 307 N 0.27 0.55 0.00 1.57 0.99 -0.65 -2.49 116.97 117.21 1wdk h TYR 307 Ca 0.06 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1wdk h TYR 307 Cb 0.60 -0.18 0.00 0.00 1.00 0.00 0.00 36.73 38.15 1wdk h TYR 307 CO 0.06 0.32 0.00 -0.44 -0.00 0.00 0.00 178.16 178.10 1wdk h ASP 308 N 0.59 0.00 0.60 3.88 3.32 -1.14 -0.86 116.42 122.81 1wdk h ASP 308 Ca 0.19 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 1wdk h ASP 308 Cb -0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1wdk h ASP 308 CO -0.08 0.00 -0.22 0.11 -1.72 0.00 0.00 179.24 177.33 1wdk h LYS 309 N 0.00 0.00 0.00 3.56 1.57 -1.28 -3.30 116.57 117.12 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 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1wdk h LYS 309 CO 0.00 0.22 -0.84 0.44 -0.57 0.00 0.00 179.45 178.70 1wdk n ILE 310 N -3.60 0.00 -1.68 1.86 -5.35 -0.92 -5.05 119.36 104.61 1wdk n ILE 310 Ca -0.01 -0.03 -0.46 0.00 -0.27 0.00 0.00 62.75 61.99 1wdk n ILE 310 Cb 0.35 0.48 -0.04 0.00 -1.74 0.00 0.00 39.64 38.69 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 -1.31 1.43 -2.64 -1.28 0.00 -0.38 -4.87 120.51 111.45 1wdk n ALA 311 Ca 0.00 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.39 1wdk n ALA 311 Cb 0.00 -2.47 -0.06 0.00 0.00 0.00 0.00 19.45 16.91 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 2.53 4.16 0.38 0.00 1.02 -1.26 -4.93 119.74 121.64 1wdk s LYS 312 Ca 0.84 0.52 -0.26 0.00 0.02 0.00 0.00 55.97 57.09 1wdk s LYS 312 Cb -0.63 -3.61 -0.11 0.00 -0.52 0.00 0.00 37.83 32.97 1wdk s LYS 312 CO 0.42 -0.29 1.24 -3.47 -0.92 0.00 0.00 175.35 172.33 1wdk n ASP 313 N 5.26 2.44 -4.35 2.83 -0.08 -1.26 -4.84 116.55 116.55 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 0.50 -1.47 -0.04 0.00 2.34 0.00 0.00 41.12 42.44 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 -1.16 4.98 0.04 5.18 1.01 -1.26 -4.88 120.40 124.32 1wdk s VAL 314 Ca 0.59 -1.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1wdk s VAL 314 Cb -0.55 -4.45 -0.30 0.00 0.00 0.00 0.00 36.38 31.08 1wdk s VAL 314 CO 0.60 -1.06 1.02 0.11 0.00 0.00 0.00 175.10 175.77 1wdk h LYS 315 N 9.00 0.32 -3.95 2.72 1.57 -1.95 -3.45 116.57 120.84 1wdk h LYS 315 Ca -0.26 -0.55 -0.46 0.00 -1.87 0.00 0.00 60.65 57.51 1wdk h LYS 315 Cb 1.09 0.20 -0.37 0.00 0.08 0.00 0.00 32.23 33.23 1wdk h LYS 315 CO 1.06 1.24 -0.78 -1.14 -0.57 0.00 0.00 179.45 179.26 1wdk s GLN 316 N -2.63 0.98 0.41 3.15 2.00 -1.26 -4.08 119.66 118.23 1wdk s GLN 316 Ca -0.07 -0.06 0.07 0.00 -2.00 0.00 0.00 55.36 53.30 1wdk s GLN 316 Cb 0.06 -1.16 -0.06 0.00 0.80 0.00 0.00 33.01 32.65 1wdk s GLN 316 CO 0.89 -0.24 0.13 0.00 -0.50 0.00 0.00 175.29 175.57 1wdk s ALA 317 N 1.66 3.47 -0.08 1.58 0.00 -0.48 -0.27 121.76 127.64 1wdk s ALA 317 Ca 0.02 -2.17 -0.15 0.00 0.00 0.00 0.00 51.96 49.66 1wdk s ALA 317 Cb -0.13 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.80 1wdk s ALA 317 CO -0.05 -0.15 0.38 0.00 0.00 0.00 0.00 175.76 175.93 1wdk s ALA 318 N -2.63 -0.95 -0.08 0.00 0.00 -0.89 -1.12 121.76 116.10 1wdk s ALA 318 Ca 0.39 0.79 0.01 0.00 0.00 0.00 0.00 51.96 53.16 1wdk s ALA 318 Cb 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1wdk s ALA 318 CO 0.21 -0.23 -0.11 0.54 0.00 0.00 0.00 175.76 176.17 1wdk s VAL 319 N -0.54 1.12 -0.27 0.00 0.11 0.82 -0.20 120.40 121.44 1wdk s VAL 319 Ca -0.07 -0.43 -0.22 0.00 -2.93 0.00 0.00 61.98 58.33 1wdk s VAL 319 Cb -0.04 -1.05 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1wdk s VAL 319 CO 0.03 0.36 0.71 -0.76 -3.33 0.00 0.00 175.10 172.11 1wdk s LEU 320 N 0.96 4.08 0.00 2.54 1.43 0.31 -1.41 118.68 126.60 1wdk s LEU 320 Ca -0.09 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1wdk s LEU 320 Cb -0.15 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.10 1wdk s LEU 320 CO 0.00 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 176.72 1wdk n GLY 321 N 4.13 0.88 0.00 -3.19 0.00 0.34 -0.94 105.19 106.41 1wdk n GLY 321 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 2.45 0.00 0.00 4.61 0.00 -1.25 -3.96 120.51 122.37 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 -1.80 0.00 0.00 0.00 -1.25 -3.65 105.19 103.49 1wdk n GLY 323 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.02 -0.61 5.41 -1.26 0.42 119.36 123.30 1wdk n ILE 324 Ca 0.00 1.00 -0.13 0.00 1.00 0.00 0.00 62.75 64.62 1wdk n ILE 324 Cb 0.00 -1.41 -0.10 0.00 -0.71 0.00 0.00 39.64 37.42 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 -0.03 -0.19 0.38 2.86 -1.91 -2.53 114.93 113.51 1wdk h MET 325 Ca 0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1wdk h MET 325 Cb 0.00 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 1wdk h MET 325 CO 0.00 0.59 -0.19 0.78 1.06 0.00 0.00 176.91 179.15 1wdk h GLY 326 N -0.68 -0.11 1.22 8.32 0.00 -1.62 0.21 103.07 110.41 1wdk h GLY 326 Ca -0.00 0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.53 1wdk h GLY 326 CO 0.01 -0.18 0.27 -1.33 0.00 0.00 0.00 176.54 175.31 1wdk h GLY 327 N -0.22 1.07 1.04 4.60 0.00 -0.16 -0.97 103.07 108.44 1wdk h GLY 327 Ca 0.12 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1wdk h GLY 327 CO -0.32 0.53 0.36 -1.33 0.00 0.00 0.00 176.54 175.78 1wdk h GLY 328 N 1.06 1.29 1.07 4.60 0.00 -0.86 -0.57 103.07 109.66 1wdk h GLY 328 Ca 0.23 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 1wdk h GLY 328 CO -0.02 0.64 -0.13 -2.22 0.00 0.00 0.00 176.54 174.80 1wdk h ILE 329 N 1.18 1.27 0.27 2.60 2.04 -0.13 -1.52 117.51 123.21 1wdk h ILE 329 Ca 0.28 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1wdk h ILE 329 Cb 0.17 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1wdk h ILE 329 CO -0.03 0.44 -0.14 0.00 0.00 0.00 0.00 178.15 178.43 1wdk h ALA 330 N 0.89 -0.37 -0.22 1.87 0.00 -0.79 -0.31 119.26 120.33 1wdk h ALA 330 Ca 0.12 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1wdk h ALA 330 Cb 0.70 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1wdk h ALA 330 CO 0.05 -0.71 -0.29 -0.92 0.00 0.00 0.00 179.25 177.38 1wdk h TYR 331 N -0.37 -0.80 0.11 0.00 3.20 -1.02 -0.02 116.97 118.06 1wdk h TYR 331 Ca -0.03 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1wdk h TYR 331 Cb 0.30 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1wdk h TYR 331 CO -0.07 -0.37 -0.22 1.96 -1.64 0.00 0.00 178.16 177.82 1wdk h GLN 332 N -0.32 -0.39 0.03 1.82 1.08 -1.02 0.30 115.11 116.61 1wdk h GLN 332 Ca 0.13 0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.38 1wdk h GLN 332 Cb 0.51 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.99 1wdk h GLN 332 CO -0.40 -0.26 -0.32 1.03 -0.95 0.00 0.00 178.83 177.92 1wdk h SER 333 N -0.41 -0.95 -0.93 1.46 0.87 -0.68 -2.08 113.55 110.83 1wdk h SER 333 Ca 0.03 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1wdk h SER 333 Cb 0.43 0.38 -0.05 0.00 -0.44 0.00 0.00 62.40 62.72 1wdk h SER 333 CO -0.13 -0.39 0.61 0.00 -0.53 0.00 0.00 176.83 176.39 1wdk h ALA 334 N 0.21 1.34 0.00 6.23 0.00 -0.82 -1.89 119.26 124.33 1wdk h ALA 334 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wdk h ALA 334 Cb 0.56 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wdk h ALA 334 CO -0.25 0.61 -0.03 0.77 0.00 0.00 0.00 179.25 180.36 1wdk h SER 335 N 1.26 0.00 -0.39 0.00 0.02 0.20 -2.91 113.55 111.72 1wdk h SER 335 Ca 0.34 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.16 1wdk h SER 335 Cb -0.15 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.32 1wdk h SER 335 CO -0.07 0.03 0.04 0.29 -1.14 0.00 0.00 176.83 175.97 1wdk n LYS 336 N -3.32 2.49 -2.48 3.45 4.76 -0.75 -4.97 118.16 117.35 1wdk n LYS 336 Ca -0.02 -3.02 -0.02 0.00 -2.87 0.00 0.00 58.31 52.38 1wdk n LYS 336 Cb 0.16 -1.89 0.01 0.00 -1.84 0.00 0.00 35.03 31.46 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 -0.78 0.71 2.62 0.72 0.00 -1.10 -4.85 105.19 102.51 1wdk n GLY 337 Ca 0.31 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.83 -0.13 0.35 2.61 2.01 -0.94 -5.04 115.64 111.68 1wdk s THR 338 Ca 0.04 -0.32 -0.27 0.00 0.31 0.00 0.00 61.69 61.45 1wdk s THR 338 Cb -0.02 -0.71 -0.12 0.00 0.01 0.00 0.00 72.50 71.66 1wdk s THR 338 CO 0.05 -0.39 1.22 -2.65 -0.69 0.00 0.00 174.62 172.16 1wdk n PRO 339 N 5.28 1.92 -3.80 4.92 -0.02 -1.26 -3.07 135.00 138.97 1wdk n PRO 339 Ca -0.06 0.67 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 1wdk n PRO 339 Cb 0.47 -2.24 -0.12 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.12 -0.01 -0.09 4.25 2.07 -0.75 -1.38 121.20 124.18 1wdk s ILE 340 Ca 0.57 0.02 -0.19 0.00 -1.41 0.00 0.00 60.65 59.64 1wdk s ILE 340 Cb -0.58 -0.26 -0.04 0.00 0.13 0.00 0.00 42.46 41.71 1wdk s ILE 340 CO 0.61 0.01 0.52 -0.76 -1.91 0.00 0.00 174.94 173.41 1wdk s LEU 341 N 0.23 4.32 -0.49 8.50 1.43 -0.27 -1.63 118.68 130.77 1wdk s LEU 341 Ca -0.01 0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 53.90 1wdk s LEU 341 Cb -0.02 -2.78 0.12 0.00 0.03 0.00 0.00 46.19 43.54 1wdk s LEU 341 CO -0.01 0.02 0.39 -0.32 0.23 0.00 0.00 176.35 176.66 1wdk s MET 342 N 0.42 2.66 0.03 1.70 1.75 -0.46 -0.13 119.30 125.27 1wdk s MET 342 Ca 0.28 -1.71 -0.06 0.00 -1.25 0.00 0.00 55.69 52.95 1wdk s MET 342 Cb -0.16 -4.04 -0.05 0.00 2.84 0.00 0.00 34.83 33.42 1wdk s MET 342 CO 0.13 -1.21 0.29 0.21 -0.65 0.00 0.00 175.02 173.79 1wdk s LYS 343 N 1.45 3.60 0.08 4.11 2.36 -0.50 -1.42 119.74 129.42 1wdk s LYS 343 Ca 0.05 -0.06 -0.01 0.00 -2.55 0.00 0.00 55.97 53.39 1wdk s LYS 343 Cb -0.27 -3.05 0.01 0.00 -1.05 0.00 0.00 37.83 33.47 1wdk s LYS 343 CO 0.01 0.62 0.12 -3.47 1.55 0.00 0.00 175.35 174.18 1wdk n ASP 344 N 0.96 -0.34 -0.00 1.43 -0.08 -1.05 0.13 116.55 117.60 1wdk n ASP 344 Ca -0.10 -1.37 0.04 0.00 -1.51 0.00 0.00 54.79 51.85 1wdk n ASP 344 Cb 0.53 0.61 -0.05 0.00 2.34 0.00 0.00 41.12 44.54 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 -0.12 0.00 -3.78 5.18 -5.35 -1.26 -4.52 119.36 109.51 1wdk n ILE 345 Ca -0.01 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.08 1wdk n ILE 345 Cb 0.12 0.73 -0.09 0.00 -1.74 0.00 0.00 39.64 38.66 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 -2.21 -0.16 0.26 7.28 2.20 -1.26 -5.05 114.94 116.01 1wdk s ASN 346 Ca 0.01 0.05 -0.01 0.00 -0.94 0.00 0.00 52.86 51.96 1wdk s ASN 346 Cb 0.06 0.30 0.57 0.00 -2.00 0.00 0.00 41.25 40.18 1wdk s ASN 346 CO 0.33 -0.42 1.69 1.05 -2.94 0.00 0.00 177.10 176.80 1wdk h GLU 347 N 4.01 0.31 -0.89 3.55 -0.00 -1.98 -0.41 114.58 119.16 1wdk h GLU 347 Ca -0.30 -0.02 0.12 0.00 -0.00 0.00 0.00 59.36 59.17 1wdk h GLU 347 Cb 1.18 -0.07 -0.08 0.00 -0.00 0.00 0.00 28.75 29.78 1wdk h GLU 347 CO 0.40 0.20 0.52 1.25 -0.00 0.00 0.00 179.01 181.38 1wdk h HIS 348 N 0.32 0.93 -0.55 2.06 -0.00 -1.99 -0.64 115.15 115.27 1wdk h HIS 348 Ca 0.48 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.87 1wdk h HIS 348 Cb 0.86 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.96 1wdk h HIS 348 CO -0.22 0.32 0.33 0.78 -0.00 0.00 0.00 177.93 179.14 1wdk h GLY 349 N 0.80 0.80 2.00 5.26 0.00 -1.49 -2.25 103.07 108.20 1wdk h GLY 349 Ca 0.46 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 1wdk h GLY 349 CO -0.30 0.33 -0.31 -2.22 0.00 0.00 0.00 176.54 174.04 1wdk h ILE 350 N 0.74 1.03 0.61 2.60 2.04 -1.13 -2.83 117.51 120.57 1wdk h ILE 350 Ca 0.20 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1wdk h ILE 350 Cb -0.00 1.65 0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1wdk h ILE 350 CO -0.04 0.30 -0.29 -0.33 0.00 0.00 0.00 178.15 177.80 1wdk h GLU 351 N 0.00 -0.78 -0.53 2.37 4.39 -0.57 -0.79 114.58 118.66 1wdk h GLU 351 Ca -0.00 0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.83 1wdk h GLU 351 Cb 0.62 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 29.38 1wdk h GLU 351 CO 0.04 -0.50 0.16 1.96 -1.16 0.00 0.00 179.01 179.51 1wdk h GLN 352 N -0.88 0.31 -0.08 2.33 1.08 -1.43 0.49 115.11 116.93 1wdk h GLN 352 Ca -0.08 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1wdk h GLN 352 Cb 0.65 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 1wdk h GLN 352 CO 0.14 0.20 -0.04 0.78 -0.95 0.00 0.00 178.83 178.96 1wdk h GLY 353 N 0.32 0.03 1.49 3.46 0.00 -1.37 -1.53 103.07 105.48 1wdk h GLY 353 Ca 0.26 0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.52 1wdk h GLY 353 CO -0.30 -0.05 -0.39 1.41 0.00 0.00 0.00 176.54 177.21 1wdk h LEU 354 N -0.04 0.59 0.03 3.11 3.38 -0.65 -2.44 115.31 119.28 1wdk h LEU 354 Ca 0.05 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1wdk h LEU 354 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1wdk h LEU 354 CO -0.10 0.92 -0.06 0.00 0.09 0.00 0.00 178.44 179.29 1wdk h ALA 355 N 1.11 -0.08 -0.53 1.53 0.00 0.26 -1.80 119.26 119.75 1wdk h ALA 355 Ca 0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1wdk h ALA 355 Cb 0.88 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1wdk h ALA 355 CO 0.08 -0.56 0.05 0.93 0.00 0.00 0.00 179.25 179.74 1wdk h GLU 356 N -0.12 0.90 -0.34 0.00 4.39 -1.27 -1.00 114.58 117.15 1wdk h GLU 356 Ca 0.02 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.49 1wdk h GLU 356 Cb 0.13 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1wdk h GLU 356 CO -0.04 0.90 0.23 0.00 -1.16 0.00 0.00 179.01 178.93 1wdk h ALA 357 N 0.97 1.92 0.08 3.43 0.00 -1.32 -2.17 119.26 122.17 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 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wdk h ALA 357 CO 0.02 0.03 -0.04 0.00 0.00 0.00 0.00 179.25 179.26 1wdk h ALA 358 N 1.81 -0.10 -0.91 0.00 0.00 -0.71 -2.60 119.26 116.75 1wdk h ALA 358 Ca 0.14 -0.27 0.17 0.00 0.00 0.00 0.00 54.91 54.95 1wdk h ALA 358 Cb 0.17 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 1wdk h ALA 358 CO -0.03 -0.25 0.48 0.87 0.00 0.00 0.00 179.25 180.32 1wdk h LYS 359 N -0.72 0.60 0.11 0.00 1.57 -0.77 0.56 116.57 117.93 1wdk h LYS 359 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1wdk h LYS 359 Cb 0.57 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1wdk h LYS 359 CO 0.02 0.40 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.18 1wdk h LEU 360 N 0.62 -0.12 -0.41 2.94 3.38 -1.46 0.14 115.31 120.41 1wdk h LEU 360 Ca 0.52 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1wdk h LEU 360 Cb 0.81 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1wdk h LEU 360 CO -0.40 0.29 0.25 -0.07 0.09 0.00 0.00 178.44 178.60 1wdk h LEU 361 N -0.56 0.42 -0.78 1.67 3.38 -0.97 -1.92 115.31 116.55 1wdk h LEU 361 Ca -0.01 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1wdk h LEU 361 Cb 0.45 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1wdk h LEU 361 CO 0.02 0.30 0.31 0.58 0.09 0.00 0.00 178.44 179.75 1wdk h VAL 362 N 0.51 1.26 -0.62 1.22 2.07 0.08 -2.47 116.25 118.30 1wdk h VAL 362 Ca 0.16 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1wdk h VAL 362 Cb -0.02 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 1wdk h VAL 362 CO -0.06 0.33 0.32 1.23 0.02 0.00 0.00 177.57 179.41 1wdk h GLY 363 N 1.14 0.89 1.14 2.17 0.00 -0.12 0.21 103.07 108.50 1wdk h GLY 363 Ca 0.26 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 1wdk h GLY 363 CO -0.02 0.11 -0.11 3.21 0.00 0.00 0.00 176.54 179.73 1wdk h ARG 364 N 0.58 1.01 -0.20 4.80 3.08 -1.09 -2.76 114.38 119.80 1wdk h ARG 364 Ca 0.28 -0.37 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 1wdk h ARG 364 Cb 0.22 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1wdk h ARG 364 CO -0.20 1.05 -0.43 0.28 -1.07 0.00 0.00 179.97 179.60 1wdk h VAL 365 N 0.90 1.31 0.00 2.04 2.07 -1.00 -0.59 116.25 120.97 1wdk h VAL 365 Ca 0.14 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1wdk h VAL 365 Cb 0.67 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1wdk h VAL 365 CO 0.05 0.49 0.00 0.47 0.02 0.00 0.00 177.57 178.60 1wdk n ASP 366 N -4.01 0.00 -0.17 0.57 9.92 0.71 -2.09 116.55 121.47 1wdk n ASP 366 Ca -0.02 -1.06 0.02 0.00 -0.53 0.00 0.00 54.79 53.20 1wdk n ASP 366 Cb 0.52 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 41.03 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 -0.72 0.82 -0.95 -1.24 4.01 -0.70 -5.00 118.16 114.39 1wdk n LYS 367 Ca 0.07 -1.26 0.00 0.00 -0.51 0.00 0.00 58.31 56.61 1wdk n LYS 367 Cb 0.03 -0.79 0.00 0.00 -0.51 0.00 0.00 35.03 33.76 1wdk n LYS 367 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wdk n GLY 368 N -0.38 0.03 0.04 0.72 0.00 -0.89 -4.79 105.19 99.92 1wdk n GLY 368 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1wdk n GLY 368 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wdk n ARG 369 N 0.52 0.15 -3.85 1.61 -4.01 -0.31 -4.88 116.66 105.89 1wdk n ARG 369 Ca 0.00 0.07 -0.12 0.00 -1.04 0.00 0.00 57.85 56.76 1wdk n ARG 369 Cb 0.43 -1.62 -0.13 0.00 -3.04 0.00 0.00 32.46 28.10 1wdk n ARG 369 CO 0.00 0.00 0.00 1.41 -3.04 0.00 0.00 177.63 176.00 1wdk s MET 370 N -3.08 0.13 0.27 2.89 -2.45 -1.07 -4.93 119.30 111.07 1wdk s MET 370 Ca 0.10 0.06 -0.30 0.00 -1.25 0.00 0.00 55.69 54.30 1wdk s MET 370 Cb 0.15 0.06 -0.09 0.00 1.25 0.00 0.00 34.83 36.20 1wdk s MET 370 CO 0.66 -0.02 1.06 0.99 1.05 0.00 0.00 175.02 178.76 1wdk s THR 371 N -0.10 3.63 0.44 10.11 2.01 -1.26 -4.18 115.64 126.28 1wdk s THR 371 Ca -0.01 1.64 0.12 0.00 0.31 0.00 0.00 61.69 63.74 1wdk s THR 371 Cb -0.01 -4.04 0.30 0.00 0.01 0.00 0.00 72.50 68.75 1wdk s THR 371 CO 0.00 0.39 2.03 -0.65 -0.69 0.00 0.00 174.62 175.70 1wdk h PRO 372 N 3.88 0.40 -0.25 4.92 0.11 -1.99 0.62 132.00 139.70 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 0.67 0.27 -0.32 0.00 -0.21 0.00 0.00 178.00 178.41 1wdk h ALA 373 N 1.75 0.99 -0.33 -0.75 0.00 -2.00 -2.62 119.26 116.29 1wdk h ALA 373 Ca 0.19 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1wdk h ALA 373 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1wdk h ALA 373 CO -0.05 0.60 -0.28 1.57 0.00 0.00 0.00 179.25 181.09 1wdk h LYS 374 N 0.44 0.77 -0.35 0.00 2.10 -1.32 -2.54 116.57 115.68 1wdk h LYS 374 Ca 0.05 -0.39 0.06 0.00 -2.00 0.00 0.00 60.65 58.37 1wdk h LYS 374 Cb 0.77 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.09 1wdk h LYS 374 CO 0.06 1.01 0.24 1.98 -2.00 0.00 0.00 179.45 180.74 1wdk h MET 375 N 0.54 0.21 -0.19 0.07 -1.53 -1.00 -1.08 114.93 111.95 1wdk h MET 375 Ca 0.06 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.25 1wdk h MET 375 Cb 0.85 -0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 31.85 1wdk h MET 375 CO 0.07 0.14 -0.09 0.00 0.14 0.00 0.00 176.91 177.17 1wdk h ALA 376 N 1.81 0.26 -0.44 0.39 0.00 -1.10 -2.34 119.26 117.85 1wdk h ALA 376 Ca 0.16 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1wdk h ALA 376 Cb 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1wdk h ALA 376 CO -0.03 0.09 0.20 0.93 0.00 0.00 0.00 179.25 180.44 1wdk h GLU 377 N 0.08 0.39 0.81 0.00 5.08 -0.83 -0.88 114.58 119.23 1wdk h GLU 377 Ca 0.04 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1wdk h GLU 377 Cb 0.57 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1wdk h GLU 377 CO 0.03 0.26 -0.42 0.28 -1.00 0.00 0.00 179.01 178.16 1wdk h VAL 378 N 0.41 0.15 -0.73 3.13 2.07 -1.30 -2.11 116.25 117.86 1wdk h VAL 378 Ca 0.19 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.82 1wdk h VAL 378 Cb 0.13 0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 29.97 1wdk h VAL 378 CO -0.15 0.00 0.34 -0.07 0.02 0.00 0.00 177.57 177.71 1wdk h LEU 379 N -1.13 0.41 -1.66 2.57 3.38 -1.31 0.38 115.31 117.95 1wdk h LEU 379 Ca -0.11 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wdk h LEU 379 Cb 0.88 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1wdk h LEU 379 CO 0.16 0.21 0.00 0.78 0.09 0.00 0.00 178.44 179.69 1wdk h ASN 380 N 0.55 0.00 0.83 -0.43 2.35 -1.07 -1.50 115.58 116.31 1wdk h ASN 380 Ca 0.37 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.96 1wdk h ASN 380 Cb 0.46 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1wdk h ASN 380 CO -0.31 0.00 -0.79 1.23 -1.65 0.00 0.00 177.43 175.91 1wdk h GLY 381 N 1.11 0.00 -5.76 2.83 0.00 0.47 -3.43 103.07 98.29 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 0.14 -0.42 0.00 0.00 0.00 176.54 176.26 1wdk s ILE 382 N -3.16 5.01 -0.33 2.60 1.01 -0.57 -1.80 121.20 123.97 1wdk s ILE 382 Ca -0.00 1.26 0.03 0.00 0.00 0.00 0.00 60.65 61.94 1wdk s ILE 382 Cb 0.11 -3.97 0.10 0.00 0.01 0.00 0.00 42.46 38.71 1wdk s ILE 382 CO 0.79 0.13 0.05 -0.13 0.00 0.00 0.00 174.94 175.78 1wdk s ARG 383 N 1.73 1.33 0.62 2.79 0.52 -0.65 -4.96 118.95 120.34 1wdk s ARG 383 Ca 0.31 -1.65 -0.18 0.00 -0.52 0.00 0.00 55.73 53.69 1wdk s ARG 383 Cb -0.16 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 1wdk s ARG 383 CO 0.12 -0.93 1.22 -2.14 0.02 0.00 0.00 175.30 173.59 1wdk s PRO 384 N 1.09 2.79 0.01 3.54 0.02 -1.26 -1.36 135.00 139.83 1wdk s PRO 384 Ca 0.10 1.85 -0.29 0.00 0.02 0.00 0.00 61.00 62.68 1wdk s PRO 384 Cb -0.19 -1.90 0.10 0.00 0.02 0.00 0.00 34.50 32.53 1wdk s PRO 384 CO -0.12 -1.35 1.09 -0.08 -0.33 0.00 0.00 177.00 176.21 1wdk s THR 385 N -1.62 0.00 -0.02 0.99 -1.32 -0.51 -4.84 115.64 108.32 1wdk s THR 385 Ca 0.78 -0.27 0.03 0.00 -1.21 0.00 0.00 61.69 61.01 1wdk s THR 385 Cb -0.31 -1.61 0.04 0.00 -1.51 0.00 0.00 72.50 69.11 1wdk s THR 385 CO 0.36 0.00 0.84 0.18 -2.21 0.00 0.00 174.62 173.79 1wdk n LEU 386 N -0.36 0.69 -4.28 9.08 4.77 -1.26 -2.52 117.00 123.12 1wdk n LEU 386 Ca -0.06 -1.11 -0.18 0.00 -0.03 0.00 0.00 56.01 54.63 1wdk n LEU 386 Cb 0.61 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 1wdk n LEU 386 CO 0.12 0.27 -0.15 -0.94 -1.33 0.00 0.00 177.39 175.36 1wdk s SER 387 N -0.91 1.36 -0.10 -1.43 1.04 -1.26 -4.89 113.70 107.51 1wdk s SER 387 Ca 0.05 -1.66 0.16 0.00 0.48 0.00 0.00 55.95 54.98 1wdk s SER 387 Cb 0.04 0.50 0.59 0.00 0.10 0.00 0.00 66.02 67.25 1wdk s SER 387 CO 0.00 -0.99 1.51 -1.22 0.98 0.00 0.00 173.24 173.52 1wdk n TYR 388 N -0.55 1.15 0.10 5.02 4.02 -1.26 -4.67 117.16 120.97 1wdk n TYR 388 Ca 0.05 -0.65 0.20 0.00 -0.01 0.00 0.00 57.90 57.49 1wdk n TYR 388 Cb 0.63 -0.21 0.76 0.00 -0.02 0.00 0.00 39.34 40.50 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 3.14 0.00 -1.34 2.72 0.00 -1.96 -2.01 103.07 103.62 1wdk h GLY 389 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wdk h GLY 389 CO 0.18 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.94 1wdk n ASP 390 N -3.87 2.66 0.00 0.19 8.00 -1.26 -4.52 116.55 117.74 1wdk n ASP 390 Ca 0.06 -1.79 0.09 0.00 0.71 0.00 0.00 54.79 53.86 1wdk n ASP 390 Cb 0.55 -0.15 0.40 0.00 -0.02 0.00 0.00 41.12 41.89 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 0.75 0.00 -0.38 1.24 3.01 -0.76 -4.02 117.46 117.31 1wdk n PHE 391 Ca 0.11 0.00 0.30 0.00 1.01 0.00 0.00 57.45 58.87 1wdk n PHE 391 Cb 0.41 -0.50 0.59 0.00 -0.01 0.00 0.00 39.48 39.97 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 3.19 1.16 -0.84 1.37 0.00 -1.76 -1.85 103.07 104.34 1wdk h GLY 392 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1wdk h GLY 392 CO 0.00 -0.24 -0.03 1.16 0.00 0.00 0.00 176.54 177.43 1wdk n ASN 393 N -4.62 2.96 -4.73 0.19 6.94 -1.26 -4.24 115.26 110.50 1wdk n ASN 393 Ca 0.31 -3.15 -0.42 0.00 -0.02 0.00 0.00 54.58 51.30 1wdk n ASN 393 Cb 1.16 -0.50 -0.03 0.00 -2.36 0.00 0.00 39.78 38.05 1wdk n ASN 393 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1wdk s VAL 394 N -2.90 3.69 -0.04 3.53 1.01 -0.69 -4.65 120.40 120.34 1wdk s VAL 394 Ca 0.37 1.32 0.09 0.00 0.00 0.00 0.00 61.98 63.77 1wdk s VAL 394 Cb 0.32 -3.84 -0.23 0.00 0.00 0.00 0.00 36.38 32.62 1wdk s VAL 394 CO 0.05 0.16 0.67 0.44 0.00 0.00 0.00 175.10 176.42 1wdk h ASP 395 N 5.94 0.07 -3.18 3.32 3.32 -0.98 -3.42 116.42 121.48 1wdk h ASP 395 Ca -0.43 -0.14 -0.17 0.00 0.02 0.00 0.00 57.03 56.31 1wdk h ASP 395 Cb 1.21 -0.02 -0.29 0.00 0.22 0.00 0.00 39.33 40.45 1wdk h ASP 395 CO 0.78 1.12 -0.44 -0.22 -1.72 0.00 0.00 179.24 178.76 1wdk s LEU 396 N -6.27 0.10 -0.15 1.55 0.20 -1.23 -1.46 118.68 111.42 1wdk s LEU 396 Ca -0.07 0.65 -0.02 0.00 0.69 0.00 0.00 54.13 55.39 1wdk s LEU 396 Cb 0.08 0.91 -0.02 0.00 -0.43 0.00 0.00 46.19 46.73 1wdk s LEU 396 CO 0.82 -0.19 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.91 1wdk s VAL 397 N 1.58 3.31 -0.30 1.68 1.01 0.07 -2.09 120.40 125.67 1wdk s VAL 397 Ca -0.07 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1wdk s VAL 397 Cb -0.10 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1wdk s VAL 397 CO -0.10 0.50 0.14 -0.69 0.00 0.00 0.00 175.10 174.95 1wdk s VAL 398 N 0.57 4.61 -0.27 2.92 1.01 0.73 -0.53 120.40 129.43 1wdk s VAL 398 Ca -0.06 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 1wdk s VAL 398 Cb -0.15 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1wdk s VAL 398 CO 0.03 0.13 0.75 -0.70 0.00 0.00 0.00 175.10 175.30 1wdk s GLU 399 N 1.63 4.07 -0.39 2.72 -6.30 0.20 -0.53 118.70 120.10 1wdk s GLU 399 Ca 0.05 0.66 0.12 0.00 -2.50 0.00 0.00 54.97 53.30 1wdk s GLU 399 Cb -0.17 -3.68 0.42 0.00 0.00 0.00 0.00 34.13 30.71 1wdk s GLU 399 CO 0.06 -0.55 0.98 0.00 0.02 0.00 0.00 175.26 175.77 1wdk n ALA 400 N 5.99 3.93 -1.99 6.30 0.00 -0.11 -0.82 120.51 133.81 1wdk n ALA 400 Ca 0.03 -3.71 -0.23 0.00 0.00 0.00 0.00 53.44 49.52 1wdk n ALA 400 Cb 0.48 -0.78 0.10 0.00 0.00 0.00 0.00 19.45 19.24 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 -3.99 2.22 0.47 0.00 1.01 -1.23 -4.52 120.40 114.36 1wdk s VAL 401 Ca 0.38 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 1wdk s VAL 401 Cb 0.41 -2.64 -0.12 0.00 0.00 0.00 0.00 36.38 34.03 1wdk s VAL 401 CO -0.07 0.00 0.37 0.52 0.00 0.00 0.00 175.10 175.92 1wdk n VAL 402 N -2.77 1.46 -2.00 2.92 0.31 -1.26 -4.78 118.33 112.21 1wdk n VAL 402 Ca 0.14 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.59 1wdk n VAL 402 Cb 0.60 -0.42 -0.03 0.00 -0.91 0.00 0.00 33.84 33.08 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 0.67 2.21 -3.57 5.55 -0.58 -1.26 -4.68 120.64 118.98 1wdk n GLU 403 Ca 0.11 -2.61 -0.16 0.00 -0.42 0.00 0.00 57.16 54.08 1wdk n GLU 403 Cb 0.43 -3.46 -0.13 0.00 -0.57 0.00 0.00 31.44 27.71 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 5.12 0.84 0.20 1.62 3.84 -1.26 -5.05 114.94 120.26 1wdk s ASN 404 Ca 0.59 0.18 -0.13 0.00 0.21 0.00 0.00 52.86 53.71 1wdk s ASN 404 Cb 0.05 0.54 0.23 0.00 -0.55 0.00 0.00 41.25 41.52 1wdk s ASN 404 CO 0.09 -0.28 1.64 -0.65 -2.79 0.00 0.00 177.10 175.11 1wdk h PRO 405 N 8.30 0.03 -0.11 0.43 0.11 -1.99 0.29 132.00 139.06 1wdk h PRO 405 Ca -0.16 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.96 1wdk h PRO 405 Cb 1.13 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1wdk h PRO 405 CO 0.21 0.02 0.04 -0.22 -0.21 0.00 0.00 178.00 177.84 1wdk h LYS 406 N 0.03 0.09 0.23 1.05 1.63 -1.98 -0.06 116.57 117.57 1wdk h LYS 406 Ca 0.29 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.08 1wdk h LYS 406 Cb 0.45 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1wdk h LYS 406 CO -0.57 0.06 -0.13 0.28 -3.45 0.00 0.00 179.45 175.64 1wdk h VAL 407 N 0.10 0.72 -0.50 2.00 2.07 -1.74 -2.03 116.25 116.87 1wdk h VAL 407 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1wdk h VAL 407 Cb 0.02 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1wdk h VAL 407 CO -0.04 0.00 0.25 0.11 0.02 0.00 0.00 177.57 177.91 1wdk h LYS 408 N -0.35 0.48 -0.33 1.57 1.57 -0.84 -0.88 116.57 117.79 1wdk h LYS 408 Ca -0.03 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1wdk h LYS 408 Cb 0.28 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1wdk h LYS 408 CO 0.03 0.32 0.12 1.96 -0.57 0.00 0.00 179.45 181.31 1wdk h GLN 409 N 0.49 0.47 0.12 3.15 4.20 -0.90 0.17 115.11 122.81 1wdk h GLN 409 Ca 0.22 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1wdk h GLN 409 Cb 0.13 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1wdk h GLN 409 CO -0.15 0.40 -0.06 0.00 -0.67 0.00 0.00 178.83 178.35 1wdk h ALA 410 N 1.67 -0.16 -0.11 3.87 0.00 -0.61 -2.50 119.26 121.42 1wdk h ALA 410 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wdk h ALA 410 Cb 0.12 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wdk h ALA 410 CO -0.01 -0.31 0.07 0.28 0.00 0.00 0.00 179.25 179.28 1wdk h VAL 411 N -0.70 1.05 -0.66 0.00 2.07 -1.00 -0.84 116.25 116.16 1wdk h VAL 411 Ca -0.02 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1wdk h VAL 411 Cb 0.53 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1wdk h VAL 411 CO 0.03 0.05 0.34 -0.07 0.02 0.00 0.00 177.57 177.93 1wdk h LEU 412 N 0.13 0.46 -1.04 2.57 3.38 -0.76 0.29 115.31 120.35 1wdk h LEU 412 Ca 0.04 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1wdk h LEU 412 Cb 0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1wdk h LEU 412 CO -0.01 0.29 -0.04 0.00 0.09 0.00 0.00 178.44 178.77 1wdk h ALA 413 N 1.38 1.20 0.18 1.53 0.00 -1.18 -2.54 119.26 119.84 1wdk h ALA 413 Ca 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wdk h ALA 413 Cb 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wdk h ALA 413 CO -0.23 0.52 -0.09 1.49 0.00 0.00 0.00 179.25 180.94 1wdk h GLU 414 N 0.60 -0.24 -0.38 0.00 4.81 0.26 -3.19 114.58 116.45 1wdk h GLU 414 Ca 0.12 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1wdk h GLU 414 Cb 0.44 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1wdk h GLU 414 CO 0.02 0.10 0.23 0.28 -0.73 0.00 0.00 179.01 178.92 1wdk h VAL 415 N -0.61 1.11 -0.59 0.32 2.07 -0.98 -1.94 116.25 115.62 1wdk h VAL 415 Ca -0.03 -0.22 0.15 0.00 0.82 0.00 0.00 66.70 67.43 1wdk h VAL 415 Cb 0.45 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1wdk h VAL 415 CO 0.04 0.11 0.42 -0.08 0.02 0.00 0.00 177.57 178.07 1wdk h GLU 416 N 0.51 0.10 -0.34 1.57 4.81 -1.44 0.26 114.58 120.07 1wdk h GLU 416 Ca 0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1wdk h GLU 416 Cb -0.03 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1wdk h GLU 416 CO -0.03 0.07 0.00 0.09 -0.73 0.00 0.00 179.01 178.41 1wdk n ASN 417 N -4.40 1.57 0.00 1.04 3.02 -0.73 -3.65 115.26 112.12 1wdk n ASN 417 Ca 0.11 -2.04 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1wdk n ASN 417 Cb 0.59 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.27 0.00 -4.54 3.10 8.25 0.91 -5.07 115.22 118.14 1wdk n HIS 418 Ca 0.09 -0.06 -0.25 0.00 -0.26 0.00 0.00 57.72 57.24 1wdk n HIS 418 Cb 0.27 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.12 1.78 0.76 1.59 -7.23 -1.07 -3.64 120.40 112.47 1wdk s VAL 419 Ca 0.00 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 57.98 1wdk s VAL 419 Cb 0.00 -2.84 0.06 0.00 0.56 0.00 0.00 36.38 34.16 1wdk s VAL 419 CO 0.00 -0.06 1.22 -0.13 -0.31 0.00 0.00 175.10 175.83 1wdk s ARG 420 N -3.75 1.90 0.00 4.82 0.52 -1.26 -4.86 118.95 116.32 1wdk s ARG 420 Ca 0.34 1.82 0.24 0.00 -0.52 0.00 0.00 55.73 57.62 1wdk s ARG 420 Cb 0.08 -1.80 1.32 0.00 0.52 0.00 0.00 34.95 35.08 1wdk s ARG 420 CO 0.16 -2.03 1.79 -0.85 0.02 0.00 0.00 175.30 174.40 1wdk n GLU 421 N -2.92 0.56 -0.18 3.54 0.28 -1.26 -2.07 120.64 118.58 1wdk n GLU 421 Ca 0.14 0.03 0.06 0.00 -0.16 0.00 0.00 57.16 57.24 1wdk n GLU 421 Cb 0.50 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 32.03 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 -1.14 2.97 -4.76 -1.84 5.75 -1.26 -4.99 116.55 111.28 1wdk n ASP 422 Ca 0.15 -1.95 -0.39 0.00 -0.01 0.00 0.00 54.79 52.59 1wdk n ASP 422 Cb 0.13 -0.24 -0.05 0.00 -1.03 0.00 0.00 41.12 39.93 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 -1.01 3.33 0.04 2.12 0.00 -0.88 -5.03 121.76 120.33 1wdk s ALA 423 Ca 0.26 0.73 -0.20 0.00 0.00 0.00 0.00 51.96 52.74 1wdk s ALA 423 Cb 0.14 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 1wdk s ALA 423 CO 0.18 0.01 0.60 0.42 0.00 0.00 0.00 175.76 176.98 1wdk s ILE 424 N -1.27 4.80 -0.05 0.00 1.09 -0.53 -4.87 121.20 120.37 1wdk s ILE 424 Ca 0.45 1.27 0.04 0.00 -1.10 0.00 0.00 60.65 61.31 1wdk s ILE 424 Cb -0.27 -3.93 -0.02 0.00 -1.06 0.00 0.00 42.46 37.17 1wdk s ILE 424 CO 0.34 0.48 -0.17 -0.76 -0.10 0.00 0.00 174.94 174.74 1wdk s LEU 425 N -0.63 2.58 0.03 2.97 1.43 -0.23 -0.75 118.68 124.08 1wdk s LEU 425 Ca 0.31 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1wdk s LEU 425 Cb -0.19 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1wdk s LEU 425 CO 0.19 0.33 -0.04 0.00 0.23 0.00 0.00 176.35 177.05 1wdk s ALA 426 N -0.61 0.22 -0.02 4.21 0.00 0.31 -1.31 121.76 124.55 1wdk s ALA 426 Ca 0.09 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.45 1wdk s ALA 426 Cb -0.11 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1wdk s ALA 426 CO 0.01 -0.15 -0.20 0.45 0.00 0.00 0.00 175.76 175.87 1wdk s SER 427 N -1.57 3.58 0.00 0.00 0.15 -0.94 0.63 113.70 115.54 1wdk s SER 427 Ca -0.14 -0.35 0.19 0.00 0.70 0.00 0.00 55.95 56.35 1wdk s SER 427 Cb -0.09 -0.59 0.54 0.00 -1.71 0.00 0.00 66.02 64.17 1wdk s SER 427 CO -0.01 0.32 1.43 -3.20 1.20 0.00 0.00 173.24 172.98 1wdk n ASN 428 N 2.24 2.37 -4.56 5.45 5.15 0.00 -1.17 115.26 124.74 1wdk n ASN 428 Ca -0.17 -1.89 -0.41 0.00 -0.60 0.00 0.00 54.58 51.51 1wdk n ASN 428 Cb 0.52 -0.22 0.01 0.00 -0.53 0.00 0.00 39.78 39.56 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 0.79 2.29 0.00 -0.44 5.66 -1.26 -4.58 114.28 116.74 1wdk n THR 429 Ca 0.17 -0.50 0.05 0.00 -3.05 0.00 0.00 64.05 60.71 1wdk n THR 429 Cb 0.41 -0.95 -0.07 0.00 -1.55 0.00 0.00 70.33 68.17 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 0.72 2.89 0.00 1.09 3.41 -1.26 -4.73 113.62 115.74 1wdk n SER 430 Ca 0.10 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1wdk n SER 430 Cb 0.39 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 -1.80 0.26 -4.12 6.66 -2.24 -1.26 -4.60 114.28 107.18 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 0.23 0.99 -0.07 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.26 4.11 -0.04 2.28 1.01 -1.26 -4.93 121.20 122.10 1wdk s ILE 432 Ca 0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.31 1wdk s ILE 432 Cb 0.00 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1wdk s ILE 432 CO 0.00 0.05 1.14 -0.55 0.00 0.00 0.00 174.94 175.58 1wdk s SER 433 N -2.54 7.12 0.14 3.58 0.15 -1.26 -4.93 113.70 115.97 1wdk s SER 433 Ca 0.27 1.77 -0.14 0.00 0.70 0.00 0.00 55.95 58.55 1wdk s SER 433 Cb -0.11 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.65 1wdk s SER 433 CO 0.20 -0.51 1.68 0.40 1.20 0.00 0.00 173.24 176.20 1wdk h ILE 434 N 4.93 1.22 0.00 6.45 5.03 -1.97 -1.35 117.51 131.82 1wdk h ILE 434 Ca -0.35 -0.71 -0.02 0.00 -0.12 0.00 0.00 64.86 63.66 1wdk h ILE 434 Cb 1.17 0.81 -0.00 0.00 -3.03 0.00 0.00 36.82 35.77 1wdk h ILE 434 CO 0.85 0.26 -0.10 0.28 -0.68 0.00 0.00 178.15 178.76 1wdk h SER 435 N 0.61 0.00 0.04 1.72 0.02 -1.92 -0.79 113.55 113.23 1wdk h SER 435 Ca 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1wdk h SER 435 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1wdk h SER 435 CO -0.01 0.10 -0.02 0.25 -1.14 0.00 0.00 176.83 176.02 1wdk h LEU 436 N 0.00 -0.04 -1.28 5.07 6.46 -1.77 -3.24 115.31 120.50 1wdk h LEU 436 Ca -0.00 -0.59 0.06 0.00 -0.12 0.00 0.00 57.88 57.23 1wdk h LEU 436 Cb 0.24 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.13 1wdk h LEU 436 CO 0.01 0.60 0.52 -0.07 -0.62 0.00 0.00 178.44 178.88 1wdk h LEU 437 N -0.72 0.76 -2.56 2.25 3.38 -0.93 -2.14 115.31 115.36 1wdk h LEU 437 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wdk h LEU 437 Cb 0.63 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1wdk h LEU 437 CO 0.01 0.49 -0.01 0.00 0.09 0.00 0.00 178.44 179.02 1wdk h ALA 438 N 1.57 1.05 0.00 1.53 0.00 -1.18 -2.54 119.26 119.68 1wdk h ALA 438 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1wdk h ALA 438 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wdk h ALA 438 CO -0.12 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.77 1wdk n LYS 439 N -3.16 0.16 0.00 0.00 5.02 -0.80 -1.97 118.16 117.41 1wdk n LYS 439 Ca -0.02 0.33 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 1wdk n LYS 439 Cb 0.13 -1.77 0.39 0.00 -0.02 0.00 0.00 35.03 33.77 1wdk n LYS 439 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wdk n ALA 440 N -1.71 3.10 -2.81 7.82 0.00 -0.96 -4.89 120.51 121.07 1wdk n ALA 440 Ca 0.03 -0.27 -0.24 0.00 0.00 0.00 0.00 53.44 52.96 1wdk n ALA 440 Cb 0.26 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.94 4.20 -0.00 0.00 1.43 -0.83 -4.67 118.68 115.87 1wdk s LEU 441 Ca 0.14 0.29 0.21 0.00 -1.03 0.00 0.00 54.13 53.74 1wdk s LEU 441 Cb 0.18 -3.09 -0.17 0.00 0.03 0.00 0.00 46.19 43.14 1wdk s LEU 441 CO 0.62 -0.13 0.92 2.29 0.23 0.00 0.00 176.35 180.29 1wdk n LYS 442 N -1.27 0.05 -3.13 1.70 2.85 -1.26 -4.47 118.16 112.64 1wdk n LYS 442 Ca -0.06 -0.01 -0.22 0.00 -1.05 0.00 0.00 58.31 56.96 1wdk n LYS 442 Cb 0.56 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.39 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 -1.56 1.80 0.32 -1.58 1.74 -1.26 -4.94 116.66 111.18 1wdk n ARG 443 Ca 0.04 -3.94 0.20 0.00 -0.77 0.00 0.00 57.85 53.37 1wdk n ARG 443 Cb 0.35 -1.87 1.09 0.00 -1.02 0.00 0.00 32.46 31.01 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 3.19 0.00 0.00 5.56 0.11 -1.80 -2.04 132.00 137.02 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 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1wdk h PRO 444 CO 0.63 0.00 -0.00 0.93 -0.21 0.00 0.00 178.00 179.35 1wdk h GLU 445 N 0.00 0.00 -0.50 1.05 3.07 -1.93 -0.52 114.58 115.75 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 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1wdk h GLU 445 CO 0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 1wdk n ASN 446 N -3.09 3.59 -4.63 1.42 3.02 -0.77 -1.58 115.26 113.22 1wdk n ASN 446 Ca -0.02 -1.98 -0.35 0.00 -0.03 0.00 0.00 54.58 52.20 1wdk n ASN 446 Cb 0.13 -0.33 -0.10 0.00 -0.61 0.00 0.00 39.78 38.87 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 -1.27 3.21 0.24 3.10 5.36 -0.20 -1.07 117.98 127.35 1wdk s PHE 447 Ca 0.41 0.05 0.02 0.00 -0.96 0.00 0.00 56.93 56.45 1wdk s PHE 447 Cb 0.23 -1.98 -0.01 0.00 -0.34 0.00 0.00 43.02 40.92 1wdk s PHE 447 CO 0.31 0.22 0.28 1.33 -1.46 0.00 0.00 175.22 175.90 1wdk n VAL 448 N 3.14 0.00 -4.57 3.12 0.24 -0.42 -4.35 118.33 115.48 1wdk n VAL 448 Ca -0.17 -1.48 -0.33 0.00 -2.04 0.00 0.00 64.34 60.31 1wdk n VAL 448 Cb 0.53 0.82 -0.11 0.00 -1.47 0.00 0.00 33.84 33.61 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 -2.59 1.72 -0.43 7.63 0.00 -0.24 -2.21 107.32 111.19 1wdk s GLY 449 Ca 0.24 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 44.06 1wdk s GLY 449 CO 0.17 -0.73 0.24 -0.29 0.00 0.00 0.00 173.10 172.49 1wdk s MET 450 N -0.99 1.21 -0.40 2.90 0.00 -0.32 -0.89 119.30 120.81 1wdk s MET 450 Ca 0.14 -1.94 -0.21 0.00 0.00 0.00 0.00 55.69 53.68 1wdk s MET 450 Cb -0.11 -2.22 0.01 0.00 0.00 0.00 0.00 34.83 32.51 1wdk s MET 450 CO 0.03 -1.17 0.66 -1.58 0.00 0.00 0.00 175.02 172.97 1wdk s HIS 451 N 0.42 3.09 0.45 4.11 2.46 -0.58 -3.99 115.29 121.26 1wdk s HIS 451 Ca 0.18 0.17 0.08 0.00 0.47 0.00 0.00 55.06 55.97 1wdk s HIS 451 Cb -0.24 -3.30 0.03 0.00 -0.13 0.00 0.00 32.58 28.94 1wdk s HIS 451 CO 0.00 -0.77 0.61 -0.06 -2.47 0.00 0.00 174.74 172.05 1wdk s PHE 452 N 2.84 2.49 0.02 3.88 0.40 -1.26 -1.24 117.98 125.11 1wdk s PHE 452 Ca 0.25 -0.48 0.06 0.00 -0.60 0.00 0.00 56.93 56.16 1wdk s PHE 452 Cb -0.14 -2.33 -0.02 0.00 0.51 0.00 0.00 43.02 41.04 1wdk s PHE 452 CO 0.18 -0.57 -0.19 -0.06 0.70 0.00 0.00 175.22 175.28 1wdk s PHE 453 N -2.43 1.69 -0.03 0.36 0.40 -1.26 -5.00 117.98 111.71 1wdk s PHE 453 Ca 0.56 -0.35 -0.30 0.00 -0.60 0.00 0.00 56.93 56.24 1wdk s PHE 453 Cb -0.09 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 1wdk s PHE 453 CO 0.34 0.04 1.21 1.21 0.70 0.00 0.00 175.22 178.72 1wdk s ASN 454 N -0.92 7.05 -0.05 1.36 3.84 -1.26 -1.85 114.94 123.11 1wdk s ASN 454 Ca 0.07 1.87 -0.27 0.00 0.21 0.00 0.00 52.86 54.74 1wdk s ASN 454 Cb -0.08 -2.56 -0.03 0.00 -0.55 0.00 0.00 41.25 38.03 1wdk s ASN 454 CO 0.01 -0.56 0.84 -2.84 -2.79 0.00 0.00 177.10 171.76 1wdk s PRO 455 N 1.97 4.47 0.33 0.43 0.02 -1.26 -4.86 135.00 136.11 1wdk s PRO 455 Ca 0.57 1.14 0.12 0.00 0.02 0.00 0.00 61.00 62.84 1wdk s PRO 455 Cb -0.26 -3.47 0.98 0.00 0.02 0.00 0.00 34.50 31.77 1wdk s PRO 455 CO 0.24 -0.03 1.69 0.28 -0.33 0.00 0.00 177.00 178.85 1wdk h VAL 456 N 4.83 0.41 0.00 3.83 2.07 -1.69 0.19 116.25 125.89 1wdk h VAL 456 Ca -0.39 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1wdk h VAL 456 Cb 1.20 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1wdk h VAL 456 CO 0.76 0.08 0.00 0.00 0.02 0.00 0.00 177.57 178.43 1wdk n HIS 457 N -4.99 0.30 -0.13 1.57 1.44 -1.26 -4.00 115.22 108.15 1wdk n HIS 457 Ca 0.29 0.10 -0.26 0.00 -2.01 0.00 0.00 57.72 55.84 1wdk n HIS 457 Cb 0.86 -0.66 -0.09 0.00 0.12 0.00 0.00 29.99 30.22 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 -1.75 0.55 -1.92 -1.40 2.00 0.60 -4.99 117.12 110.21 1wdk n MET 458 Ca 0.05 0.24 -0.42 0.00 0.00 0.00 0.00 57.70 57.57 1wdk n MET 458 Cb 0.29 -1.43 -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 -2.53 4.18 0.30 0.03 -1.94 -0.80 -4.94 119.30 113.60 1wdk s MET 459 Ca -0.36 2.32 0.06 0.00 -1.71 0.00 0.00 55.69 56.00 1wdk s MET 459 Cb 0.13 -3.85 0.49 0.00 2.01 0.00 0.00 34.83 33.61 1wdk s MET 459 CO 0.45 -0.81 1.73 -1.35 -0.01 0.00 0.00 175.02 175.03 1wdk h PRO 460 N 9.19 0.28 -6.67 2.03 0.11 -1.90 -3.45 132.00 131.58 1wdk h PRO 460 Ca -0.42 -0.12 -0.50 0.00 0.11 0.00 0.00 66.00 65.07 1wdk h PRO 460 Cb 1.20 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1wdk h PRO 460 CO 0.94 0.60 0.23 -1.17 -0.21 0.00 0.00 178.00 178.39 1wdk s LEU 461 N -8.38 4.46 -0.05 2.35 2.96 -1.26 0.44 118.68 119.21 1wdk s LEU 461 Ca -0.05 1.67 -0.01 0.00 -0.22 0.00 0.00 54.13 55.52 1wdk s LEU 461 Cb 0.14 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 43.23 1wdk s LEU 461 CO 0.77 0.07 0.03 -0.69 -1.32 0.00 0.00 176.35 175.22 1wdk s VAL 462 N -1.39 0.08 -0.44 1.68 1.01 -0.98 -4.24 120.40 116.11 1wdk s VAL 462 Ca 0.43 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.50 1wdk s VAL 462 Cb -0.20 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 35.93 1wdk s VAL 462 CO 0.25 0.19 0.49 -1.61 0.00 0.00 0.00 175.10 174.42 1wdk s GLU 463 N 1.87 3.11 -0.40 2.72 2.02 -0.38 -1.60 118.70 126.04 1wdk s GLU 463 Ca 0.02 -0.80 -0.25 0.00 0.02 0.00 0.00 54.97 53.95 1wdk s GLU 463 Cb -0.12 -4.01 0.02 0.00 0.10 0.00 0.00 34.13 30.12 1wdk s GLU 463 CO -0.03 -0.96 0.90 0.08 0.02 0.00 0.00 175.26 175.27 1wdk s VAL 464 N 2.26 4.56 -0.19 2.63 1.01 -0.82 -1.53 120.40 128.33 1wdk s VAL 464 Ca 0.13 0.96 -0.16 0.00 0.00 0.00 0.00 61.98 62.91 1wdk s VAL 464 Cb -0.18 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1wdk s VAL 464 CO 0.13 -0.64 0.41 -0.63 0.00 0.00 0.00 175.10 174.37 1wdk s ILE 465 N 3.52 5.20 -0.27 2.22 1.09 -0.07 -0.55 121.20 132.34 1wdk s ILE 465 Ca 0.37 0.75 -0.16 0.00 -1.10 0.00 0.00 60.65 60.50 1wdk s ILE 465 Cb -0.11 -3.74 -0.03 0.00 -1.06 0.00 0.00 42.46 37.51 1wdk s ILE 465 CO 0.21 0.27 0.41 -0.60 -0.10 0.00 0.00 174.94 175.13 1wdk s ARG 466 N 1.15 4.00 0.77 2.79 3.52 -0.52 -1.07 118.95 129.58 1wdk s ARG 466 Ca 0.20 0.08 -0.08 0.00 -0.13 0.00 0.00 55.73 55.80 1wdk s ARG 466 Cb -0.15 -3.67 0.09 0.00 -1.56 0.00 0.00 34.95 29.67 1wdk s ARG 466 CO 0.08 -0.31 1.09 0.20 -0.81 0.00 0.00 175.30 175.55 1wdk s GLY 467 N 1.63 1.70 0.56 8.12 0.00 -1.26 -1.46 107.32 116.60 1wdk s GLY 467 Ca 0.16 -1.02 0.23 0.00 0.00 0.00 0.00 44.72 44.10 1wdk s GLY 467 CO 0.10 -0.52 2.19 1.05 0.00 0.00 0.00 173.10 175.92 1wdk h GLU 468 N -0.84 0.00 0.00 2.90 4.11 -1.94 -2.33 114.58 116.48 1wdk h GLU 468 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1wdk h GLU 468 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1wdk h GLU 468 CO 0.55 0.00 -1.32 1.63 0.07 0.00 0.00 179.01 179.94 1wdk n LYS 469 N -4.19 0.28 -1.69 1.06 4.76 -1.26 -4.98 118.16 112.15 1wdk n LYS 469 Ca -0.02 -0.06 -0.50 0.00 -2.87 0.00 0.00 58.31 54.85 1wdk n LYS 469 Cb 0.12 -1.53 -0.05 0.00 -1.84 0.00 0.00 35.03 31.73 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 -1.86 3.13 -4.84 4.39 7.64 -0.88 -4.00 113.62 117.19 1wdk n SER 470 Ca 0.01 1.01 -0.31 0.00 1.01 0.00 0.00 58.87 60.58 1wdk n SER 470 Cb 0.43 -1.32 0.01 0.00 -1.01 0.00 0.00 64.21 62.33 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 3.63 6.08 0.44 6.43 1.04 -0.61 -4.80 113.70 125.91 1wdk s SER 471 Ca 0.93 1.55 0.12 0.00 0.48 0.00 0.00 55.95 59.03 1wdk s SER 471 Cb -0.79 -2.49 0.99 0.00 0.10 0.00 0.00 66.02 63.83 1wdk s SER 471 CO 0.54 -0.97 2.03 0.44 0.98 0.00 0.00 173.24 176.26 1wdk h ASP 472 N -0.02 0.15 -0.16 7.02 3.45 -1.93 -1.45 116.42 123.49 1wdk h ASP 472 Ca -0.45 -0.02 -0.04 0.00 0.43 0.00 0.00 57.03 56.95 1wdk h ASP 472 Cb 1.20 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.92 1wdk h ASP 472 CO 0.60 0.22 -0.07 0.25 -1.57 0.00 0.00 179.24 178.67 1wdk h LEU 473 N 0.17 0.34 -0.74 1.55 6.46 -1.92 0.31 115.31 121.48 1wdk h LEU 473 Ca 0.04 -0.40 0.03 0.00 -0.12 0.00 0.00 57.88 57.42 1wdk h LEU 473 Cb 0.17 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 1wdk h LEU 473 CO 0.01 0.66 0.47 0.00 -0.62 0.00 0.00 178.44 178.96 1wdk h ALA 474 N 0.68 0.96 -0.04 1.25 0.00 -1.65 0.11 119.26 120.58 1wdk h ALA 474 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wdk h ALA 474 Cb 0.53 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wdk h ALA 474 CO 0.02 0.28 -0.03 0.28 0.00 0.00 0.00 179.25 179.80 1wdk h VAL 475 N 0.93 1.35 -0.65 0.00 2.07 -1.19 -2.41 116.25 116.36 1wdk h VAL 475 Ca 0.29 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.76 1wdk h VAL 475 Cb -0.01 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 1wdk h VAL 475 CO -0.10 0.29 0.38 0.00 0.02 0.00 0.00 177.57 178.17 1wdk h ALA 476 N 0.57 0.86 -0.47 1.67 0.00 -0.10 -0.60 119.26 121.19 1wdk h ALA 476 Ca 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1wdk h ALA 476 Cb 0.49 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1wdk h ALA 476 CO 0.01 0.10 0.17 1.15 0.00 0.00 0.00 179.25 180.68 1wdk h THR 477 N 0.73 1.22 -0.75 0.00 2.02 -0.80 -1.75 112.91 113.58 1wdk h THR 477 Ca 0.28 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 1wdk h THR 477 Cb 0.10 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1wdk h THR 477 CO -0.14 0.26 0.30 0.74 0.37 0.00 0.00 175.52 177.05 1wdk h THR 478 N 0.63 1.25 0.21 3.16 2.02 -1.03 -1.55 112.91 117.61 1wdk h THR 478 Ca 0.16 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1wdk h THR 478 Cb 0.23 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1wdk h THR 478 CO -0.01 0.32 -0.19 0.58 0.37 0.00 0.00 175.52 176.59 1wdk h VAL 479 N 1.07 0.58 -0.51 3.16 2.07 -0.76 -1.09 116.25 120.77 1wdk h VAL 479 Ca 0.25 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.77 1wdk h VAL 479 Cb 0.20 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1wdk h VAL 479 CO -0.02 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.88 1wdk h ALA 480 N 0.31 1.58 -0.44 1.67 0.00 -1.23 -1.59 119.26 119.55 1wdk h ALA 480 Ca -0.01 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1wdk h ALA 480 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wdk h ALA 480 CO -0.03 0.37 -0.23 -0.92 0.00 0.00 0.00 179.25 178.44 1wdk h TYR 481 N 0.70 1.04 -0.69 0.00 3.20 -0.96 -0.72 116.97 119.55 1wdk h TYR 481 Ca 0.19 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 1wdk h TYR 481 Cb -0.03 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 1wdk h TYR 481 CO 0.00 1.04 0.28 0.00 -1.64 0.00 0.00 178.16 177.84 1wdk h ALA 482 N 0.95 0.89 -0.60 1.82 0.00 -0.45 -0.75 119.26 121.12 1wdk h ALA 482 Ca 0.10 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1wdk h ALA 482 Cb 0.79 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1wdk h ALA 482 CO 0.07 0.51 0.03 -0.22 0.00 0.00 0.00 179.25 179.63 1wdk h LYS 483 N 0.98 1.02 -0.19 0.00 1.63 -1.08 -0.83 116.57 118.09 1wdk h LYS 483 Ca 0.23 -0.30 -0.06 0.00 -0.85 0.00 0.00 60.65 59.67 1wdk h LYS 483 Cb 0.20 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1wdk h LYS 483 CO -0.02 0.99 -0.14 -0.22 -3.45 0.00 0.00 179.45 176.61 1wdk h LYS 484 N 0.95 0.31 0.00 1.90 3.64 -0.64 -0.88 116.57 121.84 1wdk h LYS 484 Ca 0.18 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1wdk h LYS 484 Cb 0.51 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1wdk h LYS 484 CO 0.02 0.45 0.00 -1.33 -2.27 0.00 0.00 179.45 176.33 1wdk n MET 485 N -4.24 0.86 -1.01 1.90 2.81 -0.33 -4.84 117.12 112.27 1wdk n MET 485 Ca -0.00 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1wdk n MET 485 Cb 0.29 -1.20 -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 0.51 0.45 4.02 3.03 0.00 -0.33 -4.88 105.19 107.98 1wdk n GLY 486 Ca 0.08 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.13 2.29 -0.37 1.61 -0.14 -0.37 -4.99 119.74 116.64 1wdk s LYS 487 Ca 0.00 -1.46 0.03 0.00 -1.36 0.00 0.00 55.97 53.18 1wdk s LYS 487 Cb 0.00 -2.61 0.11 0.00 -1.68 0.00 0.00 37.83 33.65 1wdk s LYS 487 CO 0.00 -0.86 0.10 -0.80 -0.76 0.00 0.00 175.35 173.03 1wdk s ASN 488 N -4.62 4.82 0.26 2.83 0.01 0.17 -4.18 114.94 114.22 1wdk s ASN 488 Ca 0.61 -2.22 -0.24 0.00 -0.71 0.00 0.00 52.86 50.30 1wdk s ASN 488 Cb -0.06 -1.67 -0.09 0.00 0.41 0.00 0.00 41.25 39.84 1wdk s ASN 488 CO 0.39 -0.39 0.85 -2.16 -1.51 0.00 0.00 177.10 174.27 1wdk s PRO 489 N 0.83 4.50 -0.05 -0.60 0.04 -1.26 -2.32 135.00 136.14 1wdk s PRO 489 Ca 0.11 1.17 -0.02 0.00 0.04 0.00 0.00 61.00 62.31 1wdk s PRO 489 Cb -0.20 -2.95 0.03 0.00 0.04 0.00 0.00 34.50 31.42 1wdk s PRO 489 CO -0.07 0.39 0.03 0.42 0.04 0.00 0.00 177.00 177.82 1wdk s ILE 490 N -1.46 0.11 0.16 0.56 1.01 -0.63 -4.96 121.20 115.99 1wdk s ILE 490 Ca 0.44 0.29 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 1wdk s ILE 490 Cb -0.19 -0.32 -0.08 0.00 0.01 0.00 0.00 42.46 41.88 1wdk s ILE 490 CO 0.24 0.21 1.19 -0.69 0.00 0.00 0.00 174.94 175.90 1wdk s VAL 491 N 2.08 3.67 -0.03 2.92 1.01 -1.26 -1.94 120.40 126.85 1wdk s VAL 491 Ca 0.05 1.37 -0.01 0.00 0.00 0.00 0.00 61.98 63.39 1wdk s VAL 491 Cb -0.12 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.42 1wdk s VAL 491 CO -0.04 0.20 0.07 -0.69 0.00 0.00 0.00 175.10 174.64 1wdk s VAL 492 N 0.12 -0.06 0.36 2.92 1.01 0.28 -4.70 120.40 120.32 1wdk s VAL 492 Ca 0.54 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 62.47 1wdk s VAL 492 Cb -0.32 -0.13 -0.09 0.00 0.00 0.00 0.00 36.38 35.84 1wdk s VAL 492 CO 0.35 0.09 1.19 0.20 0.00 0.00 0.00 175.10 176.93 1wdk s ASN 493 N 1.20 6.73 0.13 3.32 0.01 -0.54 -1.43 114.94 124.36 1wdk s ASN 493 Ca -0.08 2.41 -0.35 0.00 -0.71 0.00 0.00 52.86 54.13 1wdk s ASN 493 Cb -0.13 -2.62 -0.15 0.00 0.41 0.00 0.00 41.25 38.76 1wdk s ASN 493 CO -0.04 -0.53 1.44 -0.67 -1.51 0.00 0.00 177.10 175.79 1wdk n ASP 494 N 0.47 2.35 -3.61 -1.22 2.03 -0.53 -4.83 116.55 111.20 1wdk n ASP 494 Ca 0.02 1.11 -0.06 0.00 0.52 0.00 0.00 54.79 56.38 1wdk n ASP 494 Cb 0.45 -1.31 -0.04 0.00 -0.72 0.00 0.00 41.12 39.49 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 0.57 1.62 -0.85 0.00 -0.02 -1.26 0.05 135.00 135.11 1wdk n PRO 496 Ca -0.05 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1wdk n PRO 496 Cb 0.58 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 3.56 1.07 7.00 -1.23 0.00 -1.26 -4.56 105.19 109.77 1wdk n GLY 497 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.10 1.61 0.99 0.11 -1.83 117.46 116.24 1wdk n PHE 498 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.31 1wdk n PHE 498 Cb 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.43 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 1.89 0.33 4.37 -0.00 -1.26 -4.34 117.00 117.99 1wdk n LEU 499 Ca 0.00 0.32 -0.15 0.00 -0.00 0.00 0.00 56.01 56.19 1wdk n LEU 499 Cb 0.00 -0.74 -0.07 0.00 -0.00 0.00 0.00 43.42 42.61 1wdk n LEU 499 CO 0.00 -0.06 0.53 0.58 -0.00 0.00 0.00 177.39 178.44 1wdk h VAL 500 N -0.95 0.00 -0.77 1.96 2.07 -1.91 -2.68 116.25 113.96 1wdk h VAL 500 Ca -0.19 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1wdk h VAL 500 Cb 1.13 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1wdk h VAL 500 CO -0.11 0.00 0.43 0.78 0.02 0.00 0.00 177.57 178.69 1wdk h ASN 501 N -0.90 0.94 -0.15 0.57 4.21 -1.83 -1.26 115.58 117.15 1wdk h ASN 501 Ca -0.08 -0.07 0.02 0.00 1.21 0.00 0.00 56.30 57.37 1wdk h ASN 501 Cb 0.72 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1wdk h ASN 501 CO 0.10 0.75 0.10 -0.09 -1.29 0.00 0.00 177.43 177.00 1wdk h ARG 502 N 1.07 0.12 0.03 0.81 2.43 -1.38 -1.91 114.38 115.55 1wdk h ARG 502 Ca 0.27 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 59.15 1wdk h ARG 502 Cb 0.01 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1wdk h ARG 502 CO -0.05 0.08 -1.60 0.28 -1.51 0.00 0.00 179.97 177.17 1wdk h VAL 503 N 0.13 1.00 -0.46 0.20 2.07 -1.07 -3.38 116.25 114.75 1wdk h VAL 503 Ca 0.06 -2.79 -0.13 0.00 0.82 0.00 0.00 66.70 64.67 1wdk h VAL 503 Cb 0.10 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1wdk h VAL 503 CO -0.01 0.65 -0.22 -0.07 0.02 0.00 0.00 177.57 177.94 1wdk h LEU 504 N 0.02 0.95 -0.64 2.57 3.38 -0.62 -3.21 115.31 117.77 1wdk h LEU 504 Ca -0.25 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.28 1wdk h LEU 504 Cb 1.98 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 1wdk h LEU 504 CO 0.10 1.13 0.09 -0.26 0.09 0.00 0.00 178.44 179.59 1wdk h PHE 505 N 0.80 1.13 -0.12 1.13 -1.00 -1.54 0.12 116.94 117.47 1wdk h PHE 505 Ca 0.11 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1wdk h PHE 505 Cb 0.78 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1wdk h PHE 505 CO 0.05 0.96 0.08 -1.35 -1.61 0.00 0.00 178.31 176.44 1wdk h PRO 506 N 0.97 0.16 -0.36 1.51 0.11 -1.73 0.77 132.00 133.43 1wdk h PRO 506 Ca 0.19 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 1wdk h PRO 506 Cb 0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1wdk h PRO 506 CO 0.01 0.11 0.05 -0.92 -0.21 0.00 0.00 178.00 177.05 1wdk h TYR 507 N 0.16 0.64 0.00 0.65 3.20 -1.22 -2.27 116.97 118.13 1wdk h TYR 507 Ca 0.04 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 1wdk h TYR 507 Cb -0.01 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1wdk h TYR 507 CO 0.00 0.65 -0.27 0.74 -1.64 0.00 0.00 178.16 177.64 1wdk h PHE 508 N 0.43 0.00 0.19 -3.82 0.05 0.12 -2.64 116.94 111.28 1wdk h PHE 508 Ca 0.11 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.89 1wdk h PHE 508 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.32 1wdk h PHE 508 CO 0.02 0.27 -0.09 0.78 -0.18 0.00 0.00 178.31 179.12 1wdk h GLY 509 N 1.85 -0.26 0.44 -1.45 0.00 0.90 0.14 103.07 104.69 1wdk h GLY 509 Ca -0.00 0.10 0.13 0.00 0.00 0.00 0.00 47.33 47.56 1wdk h GLY 509 CO 0.04 -0.10 0.62 -1.33 0.00 0.00 0.00 176.54 175.77 1wdk h GLY 510 N -0.44 1.57 1.14 4.60 0.00 -1.26 0.29 103.07 108.97 1wdk h GLY 510 Ca -0.03 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1wdk h GLY 510 CO 0.04 0.12 0.16 -2.75 0.00 0.00 0.00 176.54 174.12 1wdk h PHE 511 N 0.90 1.11 -0.61 5.60 3.57 -1.10 -1.38 116.94 125.04 1wdk h PHE 511 Ca 0.50 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.80 1wdk h PHE 511 Cb 0.59 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1wdk h PHE 511 CO -0.00 0.91 0.10 0.00 -2.23 0.00 0.00 178.31 177.08 1wdk h ALA 512 N 1.16 0.81 -0.21 2.41 0.00 0.23 -2.00 119.26 121.65 1wdk h ALA 512 Ca 0.21 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1wdk h ALA 512 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1wdk h ALA 512 CO 0.00 0.57 -0.19 0.87 0.00 0.00 0.00 179.25 180.49 1wdk h LYS 513 N 0.92 0.37 -0.06 0.00 1.57 -0.32 -1.71 116.57 117.33 1wdk h LYS 513 Ca 0.18 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1wdk h LYS 513 Cb 0.43 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1wdk h LYS 513 CO 0.01 0.56 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.34 1wdk h LEU 514 N 0.34 0.14 -0.82 2.94 3.38 -0.90 -2.32 115.31 118.07 1wdk h LEU 514 Ca 0.06 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1wdk h LEU 514 Cb 0.54 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1wdk h LEU 514 CO 0.04 0.53 0.45 0.58 0.09 0.00 0.00 178.44 180.12 1wdk h VAL 515 N -0.25 1.24 0.00 1.22 2.07 -1.30 -0.78 116.25 118.45 1wdk h VAL 515 Ca 0.01 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1wdk h VAL 515 Cb 0.48 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1wdk h VAL 515 CO 0.01 0.28 -0.03 0.28 0.02 0.00 0.00 177.57 178.12 1wdk h SER 516 N 1.15 0.00 -0.42 0.57 0.02 -1.31 -2.14 113.55 111.42 1wdk h SER 516 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1wdk h SER 516 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1wdk h SER 516 CO -0.05 0.03 0.00 0.00 -1.14 0.00 0.00 176.83 175.68 1wdk n ALA 517 N -2.12 3.33 -0.96 3.77 0.00 -0.37 0.34 120.51 124.50 1wdk n ALA 517 Ca -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.16 1wdk n ALA 517 Cb 0.25 -1.07 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 0.56 0.65 3.74 0.00 0.00 -0.81 -2.01 105.19 107.32 1wdk n GLY 518 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.74 3.66 0.01 1.61 1.01 -0.76 -4.96 120.40 118.23 1wdk s VAL 519 Ca 0.00 1.39 -0.30 0.00 0.00 0.00 0.00 61.98 63.07 1wdk s VAL 519 Cb 0.00 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 1wdk s VAL 519 CO 0.00 0.22 1.55 -0.62 0.00 0.00 0.00 175.10 176.25 1wdk s ASP 520 N 0.13 6.71 0.51 3.32 3.68 -1.26 -4.36 116.67 125.41 1wdk s ASP 520 Ca 0.52 2.28 0.30 0.00 2.13 0.00 0.00 52.55 57.78 1wdk s ASP 520 Cb -0.32 -2.56 1.30 0.00 -1.45 0.00 0.00 42.92 39.90 1wdk s ASP 520 CO 0.36 -0.83 1.97 2.19 0.13 0.00 0.00 175.17 178.99 1wdk h PHE 521 N 8.40 0.00 -0.11 -5.34 -5.15 -1.96 -1.24 116.94 111.54 1wdk h PHE 521 Ca -0.40 0.00 -0.19 0.00 -0.20 0.00 0.00 57.97 57.18 1wdk h PHE 521 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.35 1wdk h PHE 521 CO 0.79 0.11 -0.71 0.28 -2.00 0.00 0.00 178.31 176.78 1wdk h VAL 522 N 0.00 1.35 -0.14 0.88 2.07 -2.00 -2.66 116.25 115.75 1wdk h VAL 522 Ca -0.00 -2.05 -0.05 0.00 0.82 0.00 0.00 66.70 65.42 1wdk h VAL 522 Cb 0.53 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1wdk h VAL 522 CO 0.01 0.63 -0.12 -0.09 0.02 0.00 0.00 177.57 178.02 1wdk h ARG 523 N 0.36 0.32 -0.16 1.57 2.43 -1.82 -2.95 114.38 114.13 1wdk h ARG 523 Ca -0.03 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1wdk h ARG 523 Cb 1.29 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.79 1wdk h ARG 523 CO 0.13 0.70 -0.46 0.82 -1.51 0.00 0.00 179.97 179.65 1wdk h ILE 524 N -0.05 0.00 0.00 1.20 2.04 -1.18 -1.46 117.51 118.07 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 0.63 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1wdk h ILE 524 CO 0.03 0.00 0.00 -2.24 0.00 0.00 0.00 178.15 175.94 1wdk h ASP 525 N -0.46 0.00 0.47 1.72 3.04 -1.58 -1.02 116.42 118.60 1wdk h ASP 525 Ca 0.03 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.71 1wdk h ASP 525 Cb 0.56 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.83 1wdk h ASP 525 CO -0.39 0.00 -0.51 0.11 -2.04 0.00 0.00 179.24 176.40 1wdk h LYS 526 N 0.00 0.05 -0.03 4.15 1.57 -1.19 0.12 116.57 121.24 1wdk h LYS 526 Ca 0.00 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1wdk h LYS 526 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.83 1wdk h LYS 526 CO 0.00 0.56 -0.61 0.28 -0.57 0.00 0.00 179.45 179.11 1wdk h VAL 527 N 0.04 1.40 0.00 0.50 2.07 -0.32 -2.09 116.25 117.84 1wdk h VAL 527 Ca -0.00 -2.01 -0.05 0.00 0.82 0.00 0.00 66.70 65.45 1wdk h VAL 527 Cb 0.92 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 1wdk h VAL 527 CO 0.07 0.60 -0.25 0.24 0.02 0.00 0.00 177.57 178.24 1wdk h MET 528 N 0.01 0.00 0.04 1.57 2.86 -0.98 0.86 114.93 119.28 1wdk h MET 528 Ca -0.07 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.32 1wdk h MET 528 Cb 1.30 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.97 1wdk h MET 528 CO 0.12 0.25 -1.07 0.93 1.06 0.00 0.00 176.91 178.21 1wdk h GLU 529 N 0.00 0.50 -0.07 1.72 5.08 -0.78 -1.21 114.58 119.82 1wdk h GLU 529 Ca -0.00 -0.60 -0.09 0.00 -1.00 0.00 0.00 59.36 57.67 1wdk h GLU 529 Cb 0.65 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1wdk h GLU 529 CO 0.03 1.23 -0.39 -0.22 -1.00 0.00 0.00 179.01 178.66 1wdk h LYS 530 N 0.26 0.15 0.00 2.33 3.64 -0.81 -1.37 116.57 120.76 1wdk h LYS 530 Ca -0.12 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1wdk h LYS 530 Cb 1.73 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.54 1wdk h LYS 530 CO 0.19 0.52 -0.12 0.35 -2.27 0.00 0.00 179.45 178.12 1wdk h PHE 531 N 0.12 0.00 0.00 1.91 3.57 -0.69 -3.46 116.94 118.40 1wdk h PHE 531 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1wdk h PHE 531 Cb 0.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1wdk h PHE 531 CO 0.01 0.12 0.00 0.41 -2.23 0.00 0.00 178.31 176.61 1wdk n GLY 532 N -1.00 1.03 3.74 2.40 0.00 -0.52 -4.97 105.19 105.88 1wdk n GLY 532 Ca -0.02 0.00 -0.41 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 -0.83 3.06 0.16 1.61 0.52 -0.48 -4.51 118.94 118.48 1wdk s TRP 533 Ca 0.00 1.06 -0.15 0.00 0.02 0.00 0.00 56.10 57.02 1wdk s TRP 533 Cb 0.00 -3.78 0.10 0.00 -1.15 0.00 0.00 33.47 28.63 1wdk s TRP 533 CO 0.00 -2.53 1.73 -1.35 0.02 0.00 0.00 176.95 174.82 1wdk h PRO 534 N 5.10 0.22 -5.54 4.98 0.11 -1.88 -3.38 132.00 131.61 1wdk h PRO 534 Ca -0.46 -0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.17 1wdk h PRO 534 Cb 1.22 -0.05 -0.24 0.00 0.11 0.00 0.00 31.00 32.04 1wdk h PRO 534 CO 0.78 0.14 -0.80 -1.64 -0.21 0.00 0.00 178.00 176.27 1wdk s MET 535 N -6.16 0.99 0.74 1.05 -1.94 -1.26 -4.98 119.30 107.74 1wdk s MET 535 Ca -0.13 -0.88 -0.11 0.00 -1.71 0.00 0.00 55.69 52.85 1wdk s MET 535 Cb 0.13 -1.05 0.03 0.00 2.01 0.00 0.00 34.83 35.95 1wdk s MET 535 CO 0.71 0.25 1.10 0.20 -0.01 0.00 0.00 175.02 177.28 1wdk s GLY 536 N -1.38 1.63 0.15 -0.03 0.00 -1.26 -4.76 107.32 101.67 1wdk s GLY 536 Ca 0.02 -0.31 -0.26 0.00 0.00 0.00 0.00 44.72 44.17 1wdk s GLY 536 CO 0.02 0.08 1.59 -2.55 0.00 0.00 0.00 173.10 172.24 1wdk h PRO 537 N -0.80 -0.34 0.17 2.90 0.11 -1.92 0.28 132.00 132.40 1wdk h PRO 537 Ca -0.46 0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.69 1wdk h PRO 537 Cb 1.26 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 1wdk h PRO 537 CO 0.62 -0.23 -0.24 0.00 -0.21 0.00 0.00 178.00 177.95 1wdk h ALA 538 N 0.47 -0.44 -0.91 -0.75 0.00 -1.94 0.12 119.26 115.81 1wdk h ALA 538 Ca 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1wdk h ALA 538 Cb 0.57 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1wdk h ALA 538 CO -0.48 -0.79 0.50 -0.92 0.00 0.00 0.00 179.25 177.57 1wdk h TYR 539 N -0.47 1.25 -0.58 0.00 3.20 -1.89 -1.81 116.97 116.68 1wdk h TYR 539 Ca 0.01 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 1wdk h TYR 539 Cb 0.47 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1wdk h TYR 539 CO -0.19 0.86 0.23 1.25 -1.64 0.00 0.00 178.16 178.66 1wdk h LEU 540 N 1.27 0.80 -1.27 2.82 6.46 -0.12 -0.71 115.31 124.56 1wdk h LEU 540 Ca 0.32 -0.17 0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1wdk h LEU 540 Cb 0.02 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.70 1wdk h LEU 540 CO -0.05 0.76 0.51 0.24 -0.62 0.00 0.00 178.44 179.27 1wdk h MET 541 N 0.80 0.92 0.09 1.25 2.86 -0.32 0.92 114.93 121.45 1wdk h MET 541 Ca 0.19 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1wdk h MET 541 Cb 0.21 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1wdk h MET 541 CO -0.01 0.61 -0.04 -0.44 1.06 0.00 0.00 176.91 178.08 1wdk h ASP 542 N 0.95 -0.10 -0.78 1.22 3.32 -0.63 0.74 116.42 121.14 1wdk h ASP 542 Ca 0.30 -0.34 0.09 0.00 0.02 0.00 0.00 57.03 57.11 1wdk h ASP 542 Cb 0.03 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 1wdk h ASP 542 CO -0.09 0.30 0.43 0.58 -1.72 0.00 0.00 179.24 178.75 1wdk h VAL 543 N -0.52 0.89 0.00 -1.35 2.07 -0.62 0.15 116.25 116.87 1wdk h VAL 543 Ca -0.01 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 1wdk h VAL 543 Cb 0.44 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1wdk h VAL 543 CO 0.02 0.13 -0.43 0.58 0.02 0.00 0.00 177.57 177.90 1wdk h VAL 544 N 0.73 0.92 -0.09 2.57 2.07 -0.80 -3.45 116.25 118.20 1wdk h VAL 544 Ca 0.38 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1wdk h VAL 544 Cb 0.36 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1wdk h VAL 544 CO -0.25 0.42 0.00 0.61 0.02 0.00 0.00 177.57 178.37 1wdk n GLY 545 N 0.45 0.76 0.35 2.17 0.00 0.25 -4.53 105.19 104.64 1wdk n GLY 545 Ca 0.00 -1.21 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 1.11 -0.80 -0.61 5.03 0.21 -0.72 117.51 121.73 1wdk h ILE 546 Ca 0.00 -0.31 -0.01 0.00 -0.12 0.00 0.00 64.86 64.42 1wdk h ILE 546 Cb 0.00 0.15 -0.04 0.00 -3.03 0.00 0.00 36.82 33.90 1wdk h ILE 546 CO 0.00 0.16 0.44 -2.24 -0.68 0.00 0.00 178.15 175.84 1wdk h ASP 547 N 0.89 1.00 -0.09 1.72 3.04 -1.88 0.20 116.42 121.30 1wdk h ASP 547 Ca 0.29 -0.09 -0.01 0.00 -3.24 0.00 0.00 57.03 53.98 1wdk h ASP 547 Cb 0.04 -0.25 -0.00 0.00 -1.04 0.00 0.00 39.33 38.08 1wdk h ASP 547 CO -0.08 0.80 0.02 0.74 -2.04 0.00 0.00 179.24 178.69 1wdk h THR 548 N 1.11 1.19 -0.60 1.15 2.02 -1.49 -1.95 112.91 114.34 1wdk h THR 548 Ca 0.28 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1wdk h THR 548 Cb 0.02 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1wdk h THR 548 CO -0.05 0.16 0.30 1.23 0.37 0.00 0.00 175.52 177.54 1wdk h GLY 549 N -0.06 0.90 0.94 2.16 0.00 -0.90 -0.37 103.07 105.74 1wdk h GLY 549 Ca 0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1wdk h GLY 549 CO -0.00 0.40 0.01 0.84 0.00 0.00 0.00 176.54 177.78 1wdk h HIS 550 N 0.85 0.02 -0.03 5.60 6.17 -0.38 -0.46 115.15 126.91 1wdk h HIS 550 Ca 0.21 -0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.29 1wdk h HIS 550 Cb 0.07 -0.01 -0.00 0.00 2.52 0.00 0.00 27.41 30.00 1wdk h HIS 550 CO 0.01 0.08 0.02 1.25 0.71 0.00 0.00 177.93 179.99 1wdk h HIS 551 N -0.05 0.05 -0.37 5.26 6.17 -1.01 -2.79 115.15 122.41 1wdk h HIS 551 Ca 0.00 -0.00 0.08 0.00 0.71 0.00 0.00 60.37 61.16 1wdk h HIS 551 Cb 0.06 -0.01 -0.08 0.00 2.52 0.00 0.00 27.41 29.90 1wdk h HIS 551 CO -0.06 0.07 -0.14 0.78 0.71 0.00 0.00 177.93 179.29 1wdk h GLY 552 N 0.01 0.17 0.02 5.26 0.00 -0.88 -2.05 103.07 105.59 1wdk h GLY 552 Ca 0.01 0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.60 1wdk h GLY 552 CO -0.00 -0.17 -0.25 -0.09 0.00 0.00 0.00 176.54 176.03 1wdk h ARG 553 N -0.07 -0.20 -0.75 4.80 2.43 -0.94 -0.62 114.38 119.04 1wdk h ARG 553 Ca 0.18 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.51 1wdk h ARG 553 Cb 0.35 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.85 1wdk h ARG 553 CO -0.42 -0.13 0.30 -0.44 -1.51 0.00 0.00 179.97 177.76 1wdk h ASP 554 N -0.20 0.28 -0.27 -3.80 5.19 -1.13 0.29 116.42 116.78 1wdk h ASP 554 Ca 0.17 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 1wdk h ASP 554 Cb 0.47 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1wdk h ASP 554 CO -0.46 0.11 0.12 0.58 -3.12 0.00 0.00 179.24 176.46 1wdk h VAL 555 N 0.44 1.16 -0.54 -1.35 2.07 -0.51 -2.06 116.25 115.46 1wdk h VAL 555 Ca 0.41 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1wdk h VAL 555 Cb 0.61 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1wdk h VAL 555 CO -0.40 0.17 0.07 0.24 0.02 0.00 0.00 177.57 177.67 1wdk h MET 556 N 0.29 0.91 -0.80 1.57 2.86 -0.31 -0.59 114.93 118.86 1wdk h MET 556 Ca 0.09 -0.25 0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1wdk h MET 556 Cb 0.16 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 1wdk h MET 556 CO -0.01 0.89 0.47 0.00 1.06 0.00 0.00 176.91 179.33 1wdk h ALA 557 N 0.98 1.12 0.00 6.32 0.00 -0.31 0.27 119.26 127.64 1wdk h ALA 557 Ca 0.16 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1wdk h ALA 557 Cb 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1wdk h ALA 557 CO 0.01 0.16 -0.71 1.05 0.00 0.00 0.00 179.25 179.76 1wdk h GLU 558 N 0.84 0.00 -0.18 0.00 9.09 -1.16 -2.74 114.58 120.42 1wdk h GLU 558 Ca 0.37 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.69 1wdk h GLU 558 Cb 0.25 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.35 1wdk h GLU 558 CO -0.20 0.71 -0.21 0.78 0.05 0.00 0.00 179.01 180.14 1wdk h GLY 559 N 2.17 0.50 -6.27 1.06 0.00 0.64 -3.39 103.07 97.78 1wdk h GLY 559 Ca -0.01 -0.53 -0.58 0.00 0.00 0.00 0.00 47.33 46.21 1wdk h GLY 559 CO 0.09 0.48 -0.92 0.69 0.00 0.00 0.00 176.54 176.88 1wdk n PHE 560 N -4.45 0.55 -0.36 5.60 3.01 0.77 -4.97 117.46 117.60 1wdk n PHE 560 Ca -0.06 -3.67 0.07 0.00 1.01 0.00 0.00 57.45 54.80 1wdk n PHE 560 Cb 0.41 -0.23 0.23 0.00 -0.01 0.00 0.00 39.48 39.88 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 4.69 1.00 -0.04 -1.08 0.11 -1.69 0.16 132.00 135.14 1wdk h PRO 561 Ca 0.16 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.22 1wdk h PRO 561 Cb 0.84 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 1wdk h PRO 561 CO 0.53 0.66 0.27 0.38 -0.21 0.00 0.00 178.00 179.63 1wdk h ASP 562 N 1.03 0.00 0.00 -2.05 2.03 -1.93 -3.21 116.42 112.28 1wdk h ASP 562 Ca 0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.79 1wdk h ASP 562 Cb 0.45 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 1wdk h ASP 562 CO -0.25 0.00 0.00 -2.11 -1.03 0.00 0.00 179.24 175.85 1wdk n ARG 563 N -3.05 4.43 0.00 4.15 1.85 -0.94 -4.83 116.66 118.26 1wdk n ARG 563 Ca -0.01 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.93 1wdk n ARG 563 Cb 0.34 -0.41 -0.00 0.00 -1.05 0.00 0.00 32.46 31.34 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 -0.04 1.45 -3.23 2.89 2.81 0.51 -4.55 117.12 116.95 1wdk n MET 564 Ca 0.00 -0.93 -0.42 0.00 -1.81 0.00 0.00 57.70 54.53 1wdk n MET 564 Cb 0.00 -1.38 -0.08 0.00 -0.71 0.00 0.00 33.22 31.05 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 -2.20 3.34 -0.18 0.03 3.01 -1.21 -4.38 119.74 118.15 1wdk s LYS 565 Ca 0.16 -0.43 -0.10 0.00 -1.01 0.00 0.00 55.97 54.59 1wdk s LYS 565 Cb 0.16 -3.91 -0.05 0.00 -1.01 0.00 0.00 37.83 33.02 1wdk s LYS 565 CO 0.49 -0.82 0.15 0.34 0.51 0.00 0.00 175.35 176.02 1wdk s ASP 566 N 1.85 6.26 -0.07 2.83 -1.08 -1.26 -4.97 116.67 120.24 1wdk s ASP 566 Ca 0.18 0.30 0.01 0.00 -0.52 0.00 0.00 52.55 52.51 1wdk s ASP 566 Cb -0.16 -2.10 0.11 0.00 -1.46 0.00 0.00 42.92 39.32 1wdk s ASP 566 CO 0.15 0.20 1.09 -0.90 0.52 0.00 0.00 175.17 176.23 1wdk n ASP 567 N 3.33 2.94 -3.80 -0.34 5.75 -1.26 -4.85 116.55 118.33 1wdk n ASP 567 Ca -0.16 -2.25 -0.10 0.00 -0.01 0.00 0.00 54.79 52.28 1wdk n ASP 567 Cb 0.52 -0.55 -0.05 0.00 -1.03 0.00 0.00 41.12 40.01 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 -0.64 1.16 0.02 0.11 0.52 -1.26 -5.14 118.95 113.72 1wdk s ARG 568 Ca 0.09 -0.93 -0.27 0.00 -0.52 0.00 0.00 55.73 54.10 1wdk s ARG 568 Cb 0.08 0.44 -0.04 0.00 0.52 0.00 0.00 34.95 35.94 1wdk s ARG 568 CO 0.02 -0.45 0.86 1.03 0.02 0.00 0.00 175.30 176.78 1wdk s ARG 569 N -3.88 4.55 0.37 3.54 0.52 -1.26 -5.05 118.95 117.73 1wdk s ARG 569 Ca 0.09 1.22 0.05 0.00 -0.52 0.00 0.00 55.73 56.57 1wdk s ARG 569 Cb 0.02 -3.41 0.05 0.00 0.52 0.00 0.00 34.95 32.13 1wdk s ARG 569 CO -0.05 0.12 0.41 -1.13 0.02 0.00 0.00 175.30 174.67 1wdk n SER 570 N 3.33 1.72 0.31 0.23 3.41 -1.26 -4.87 113.62 116.48 1wdk n SER 570 Ca 0.01 -2.11 0.20 0.00 -0.26 0.00 0.00 58.87 56.71 1wdk n SER 570 Cb 0.50 -0.17 0.96 0.00 -0.26 0.00 0.00 64.21 65.24 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 0.45 1.02 0.08 7.33 0.00 -1.93 -2.49 119.26 123.71 1wdk h ALA 571 Ca -0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wdk h ALA 571 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1wdk h ALA 571 CO 0.30 0.01 -0.04 0.82 0.00 0.00 0.00 179.25 180.34 1wdk h ILE 572 N 0.00 1.15 -0.65 0.00 2.04 -1.98 -1.37 117.51 116.70 1wdk h ILE 572 Ca -0.00 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 64.99 1wdk h ILE 572 Cb 0.25 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 1wdk h ILE 572 CO 0.00 0.22 0.37 0.44 0.00 0.00 0.00 178.15 179.18 1wdk h ASP 573 N -0.54 0.57 -0.66 1.72 3.32 -1.84 0.20 116.42 119.18 1wdk h ASP 573 Ca -0.01 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1wdk h ASP 573 Cb 0.45 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1wdk h ASP 573 CO 0.02 0.38 0.34 0.00 -1.72 0.00 0.00 179.24 178.26 1wdk h ALA 574 N 1.32 0.85 -0.07 3.45 0.00 -1.41 0.11 119.26 123.50 1wdk h ALA 574 Ca 0.28 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 1wdk h ALA 574 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1wdk h ALA 574 CO -0.15 0.40 -0.81 -0.07 0.00 0.00 0.00 179.25 178.61 1wdk h LEU 575 N 0.92 0.63 0.09 0.00 3.38 -0.79 -2.17 115.31 117.37 1wdk h LEU 575 Ca 0.23 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1wdk h LEU 575 Cb 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1wdk h LEU 575 CO -0.03 1.21 -0.04 0.22 0.09 0.00 0.00 178.44 179.88 1wdk h TYR 576 N 0.34 -0.12 -0.11 1.13 3.20 -0.45 0.43 116.97 121.40 1wdk h TYR 576 Ca -0.05 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1wdk h TYR 576 Cb 1.42 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 1wdk h TYR 576 CO 0.06 0.30 0.03 0.93 -1.64 0.00 0.00 178.16 177.84 1wdk h GLU 577 N -0.57 0.14 -0.21 1.82 5.08 -0.88 0.10 114.58 120.07 1wdk h GLU 577 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1wdk h GLU 577 Cb 0.47 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1wdk h GLU 577 CO 0.02 0.14 0.00 0.00 -1.00 0.00 0.00 179.01 178.17 1wdk n ALA 578 N -2.52 2.49 -3.88 3.43 0.00 -0.82 -4.92 120.51 114.30 1wdk n ALA 578 Ca -0.01 -0.43 -0.26 0.00 0.00 0.00 0.00 53.44 52.73 1wdk n ALA 578 Cb 0.12 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.54 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 0.17 -4.25 -3.46 0.00 5.02 0.36 -4.92 118.16 111.07 1wdk n LYS 579 Ca 0.11 0.51 -0.36 0.00 -2.02 0.00 0.00 58.31 56.55 1wdk n LYS 579 Cb 0.23 -4.98 -0.05 0.00 -0.02 0.00 0.00 35.03 30.21 1wdk n LYS 579 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wdk n ARG 580 N -4.40 3.04 0.00 1.97 1.74 0.15 -4.93 116.66 114.22 1wdk n ARG 580 Ca -0.21 -4.53 0.09 0.00 -0.77 0.00 0.00 57.85 52.43 1wdk n ARG 580 Cb 0.64 -2.41 0.40 0.00 -1.02 0.00 0.00 32.46 30.06 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 1.87 0.00 0.00 0.55 4.77 -0.73 -4.31 117.00 119.15 1wdk n LEU 581 Ca 0.24 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 1wdk n LEU 581 Cb 0.37 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1wdk n LEU 581 CO 0.45 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1wdk n GLY 582 N 0.30 0.46 0.19 -0.72 0.00 0.13 0.19 105.19 105.73 1wdk n GLY 582 Ca 0.05 -2.22 -0.03 0.00 0.00 0.00 0.00 46.02 43.82 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 5.72 0.12 -0.82 1.61 4.15 -1.55 -0.40 115.11 123.95 1wdk h GLN 583 Ca 0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1wdk h GLN 583 Cb 0.00 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.62 1wdk h GLN 583 CO 0.00 0.08 0.49 1.57 -1.93 0.00 0.00 178.83 179.04 1wdk h LYS 584 N 0.13 1.12 0.00 1.69 2.10 -1.88 -1.76 116.57 117.96 1wdk h LYS 584 Ca 0.23 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1wdk h LYS 584 Cb 0.33 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1wdk h LYS 584 CO -0.36 0.79 0.00 -0.97 -2.00 0.00 0.00 179.45 176.90 1wdk h ASN 585 N 1.13 0.00 0.00 7.07 -1.24 -1.66 -3.46 115.58 117.42 1wdk h ASN 585 Ca 0.29 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.30 1wdk h ASN 585 Cb -0.04 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.01 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 0.03 3.41 3.06 1.57 0.00 -0.23 -4.92 105.19 108.11 1wdk n GLY 586 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1wdk n GLY 586 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wdk s LYS 587 N -0.82 0.21 0.00 1.61 1.02 -0.78 -1.21 119.74 119.77 1wdk s LYS 587 Ca 0.00 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.39 1wdk s LYS 587 Cb 0.00 -0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 1wdk s LYS 587 CO 0.00 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 1wdk n GLY 588 N 3.65 2.84 0.13 -3.33 0.00 -1.26 0.17 105.19 107.39 1wdk n GLY 588 Ca -0.20 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 0.55 -0.61 1.61 -1.00 -1.87 -3.46 116.94 112.16 1wdk h PHE 589 Ca 0.00 -0.34 -0.59 0.00 2.81 0.00 0.00 57.97 59.85 1wdk h PHE 589 Cb 0.00 -0.05 -0.06 0.00 3.61 0.00 0.00 35.95 39.45 1wdk h PHE 589 CO 0.00 1.20 -0.34 0.71 -1.61 0.00 0.00 178.31 178.26 1wdk s TYR 590 N -3.02 1.74 -0.05 -0.55 1.51 -1.26 -4.74 117.35 110.98 1wdk s TYR 590 Ca -0.05 -0.83 0.05 0.00 -1.01 0.00 0.00 57.07 55.22 1wdk s TYR 590 Cb 0.08 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 1wdk s TYR 590 CO 0.87 -0.34 -0.18 0.00 -1.11 0.00 0.00 175.55 174.80 1wdk s ALA 591 N -2.77 2.50 -0.22 3.71 0.00 -0.02 -4.46 121.76 120.51 1wdk s ALA 591 Ca 0.31 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1wdk s ALA 591 Cb -0.01 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.29 1wdk s ALA 591 CO 0.19 0.52 -0.15 0.71 0.00 0.00 0.00 175.76 177.03 1wdk s TYR 592 N -0.60 2.97 -0.06 0.00 1.51 -0.35 0.07 117.35 120.89 1wdk s TYR 592 Ca 0.09 -1.97 0.08 0.00 -1.01 0.00 0.00 57.07 54.26 1wdk s TYR 592 Cb -0.11 -1.89 -0.12 0.00 -0.11 0.00 0.00 41.96 39.73 1wdk s TYR 592 CO 0.01 -0.84 0.08 0.39 -1.11 0.00 0.00 175.55 174.08 1wdk n GLU 593 N 4.54 1.90 -0.16 -0.62 1.02 -1.04 -4.81 120.64 121.47 1wdk n GLU 593 Ca -0.17 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1wdk n GLU 593 Cb 0.46 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1wdk n GLU 593 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wdk n ALA 594 N -2.17 0.00 -3.63 0.62 0.00 -1.26 -5.01 120.51 109.07 1wdk n ALA 594 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.36 1wdk n ALA 594 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 1wdk n ALA 594 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wdk s ASP 595 N 1.40 -0.07 0.00 0.00 1.11 -1.26 -1.79 116.67 116.06 1wdk s ASP 595 Ca 0.00 0.11 0.00 0.00 0.18 0.00 0.00 52.55 52.84 1wdk s ASP 595 Cb 0.00 1.03 0.00 0.00 1.07 0.00 0.00 42.92 45.02 1wdk s ASP 595 CO 0.00 -0.02 0.00 1.67 1.18 0.00 0.00 175.17 178.00 1wdk n GLN 600 N 3.17 0.43 -2.97 8.23 -0.06 -1.26 -5.25 117.38 119.68 1wdk n GLN 600 Ca -0.17 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.68 1wdk n GLN 600 Cb 0.56 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.75 1wdk n GLN 600 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1wdk n LYS 601 N 0.00 0.84 -2.90 3.69 4.81 -0.74 -5.05 118.16 118.80 1wdk n LYS 601 Ca 0.00 -2.55 -0.42 0.00 -0.87 0.00 0.00 58.31 54.47 1wdk n LYS 601 Cb 0.00 -1.35 -0.05 0.00 0.02 0.00 0.00 35.03 33.65 1wdk n LYS 601 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1wdk s LYS 602 N -0.55 3.71 0.17 1.64 2.20 -1.26 -2.48 119.74 123.16 1wdk s LYS 602 Ca 0.33 0.31 0.11 0.00 -0.36 0.00 0.00 55.97 56.35 1wdk s LYS 602 Cb 0.24 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1wdk s LYS 602 CO -0.14 -0.95 -0.21 -0.51 -0.36 0.00 0.00 175.35 173.18 1wdk s LEU 603 N 3.30 2.54 -0.23 5.43 1.43 0.11 -4.96 118.68 126.31 1wdk s LEU 603 Ca 0.34 -0.76 -0.19 0.00 -1.03 0.00 0.00 54.13 52.49 1wdk s LEU 603 Cb -0.12 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 1wdk s LEU 603 CO 0.19 0.14 0.53 -0.69 0.23 0.00 0.00 176.35 176.75 1wdk s VAL 604 N -1.50 5.08 -0.12 -1.59 1.01 -1.26 -0.84 120.40 121.17 1wdk s VAL 604 Ca 0.20 0.96 -0.00 0.00 0.00 0.00 0.00 61.98 63.14 1wdk s VAL 604 Cb -0.09 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1wdk s VAL 604 CO 0.10 0.13 -0.10 1.51 0.00 0.00 0.00 175.10 176.74 1wdk s ASP 605 N 1.32 2.34 0.65 3.32 -4.77 -1.26 -4.95 116.67 113.32 1wdk s ASP 605 Ca 0.23 -0.37 0.34 0.00 -3.30 0.00 0.00 52.55 49.46 1wdk s ASP 605 Cb -0.15 -0.96 1.87 0.00 -1.09 0.00 0.00 42.92 42.59 1wdk s ASP 605 CO 0.09 -0.09 2.05 0.77 0.70 0.00 0.00 175.17 178.69 1wdk h SER 606 N 8.07 0.00 0.00 2.11 4.64 -1.97 -2.48 113.55 123.92 1wdk h SER 606 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1wdk h SER 606 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1wdk h SER 606 CO 0.45 0.00 0.06 -1.54 -0.87 0.00 0.00 176.83 174.93 1wdk n SER 607 N -2.91 0.38 0.09 4.97 3.41 -1.26 -0.83 113.62 117.47 1wdk n SER 607 Ca -0.02 0.65 -0.13 0.00 -0.26 0.00 0.00 58.87 59.11 1wdk n SER 607 Cb 0.26 -0.68 -0.09 0.00 -0.26 0.00 0.00 64.21 63.44 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 1.50 -0.69 -3.33 2.07 -1.80 -3.31 116.25 110.70 1wdk h VAL 608 Ca 0.00 -2.88 0.15 0.00 0.82 0.00 0.00 66.70 64.79 1wdk h VAL 608 Cb 0.12 2.72 -0.12 0.00 -1.52 0.00 0.00 31.29 32.50 1wdk h VAL 608 CO 0.00 0.84 0.03 -0.07 0.02 0.00 0.00 177.57 178.39 1wdk h LEU 609 N 0.10 -0.27 0.04 2.57 3.38 -1.22 -0.35 115.31 119.56 1wdk h LEU 609 Ca -0.09 0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1wdk h LEU 609 Cb 1.77 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 42.79 1wdk h LEU 609 CO 0.17 -0.13 -0.13 -0.33 0.09 0.00 0.00 178.44 178.11 1wdk h GLU 610 N 0.13 -0.22 -0.82 1.13 5.08 -1.70 0.14 114.58 118.32 1wdk h GLU 610 Ca 0.38 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.84 1wdk h GLU 610 Cb 0.64 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 1wdk h GLU 610 CO -0.59 -0.15 0.47 0.28 -1.00 0.00 0.00 179.01 178.02 1wdk h VAL 611 N -0.23 0.94 0.00 3.13 2.07 -1.28 -2.78 116.25 118.09 1wdk h VAL 611 Ca 0.03 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1wdk h VAL 611 Cb 0.27 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1wdk h VAL 611 CO -0.10 0.15 -0.47 -0.07 0.02 0.00 0.00 177.57 177.10 1wdk h LEU 612 N 0.81 0.00 -0.81 2.57 3.38 -0.82 -3.38 115.31 117.06 1wdk h LEU 612 Ca 0.38 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.52 1wdk h LEU 612 Cb 0.31 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.91 1wdk h LEU 612 CO -0.23 0.26 -0.21 0.11 0.09 0.00 0.00 178.44 178.46 1wdk h LYS 613 N 0.00 -0.00 0.00 1.13 1.79 -0.43 0.32 116.57 119.37 1wdk h LYS 613 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1wdk h LYS 613 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1wdk h LYS 613 CO 0.03 -0.00 0.07 -1.35 -1.08 0.00 0.00 179.45 177.11 1wdk h PRO 614 N -0.00 0.00 0.06 3.15 0.11 -1.74 -2.42 132.00 131.16 1wdk h PRO 614 Ca 0.39 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.17 1wdk h PRO 614 Cb 0.59 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 1wdk h PRO 614 CO -0.84 0.00 -1.83 0.82 -0.21 0.00 0.00 178.00 175.95 1wdk h ILE 615 N 0.00 0.77 -1.99 4.15 1.08 -0.64 -3.45 117.51 117.42 1wdk h ILE 615 Ca 0.00 -2.55 -0.53 0.00 -0.39 0.00 0.00 64.86 61.39 1wdk h ILE 615 Cb 0.13 2.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.35 1wdk h ILE 615 CO 0.00 0.69 1.48 -0.69 -0.69 0.00 0.00 178.15 178.94 1wdk s VAL 616 N -2.58 3.15 0.00 1.67 1.01 -0.91 -4.59 120.40 118.15 1wdk s VAL 616 Ca -0.13 0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1wdk s VAL 616 Cb 0.07 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1wdk s VAL 616 CO 0.80 -0.23 0.00 -1.22 0.00 0.00 0.00 175.10 174.45 1wdk n TYR 617 N 13.06 0.00 -2.59 5.22 0.53 0.15 -4.94 117.16 128.60 1wdk n TYR 617 Ca 0.29 0.00 -0.23 0.00 -1.02 0.00 0.00 57.90 56.94 1wdk n TYR 617 Cb 0.50 -0.18 0.04 0.00 -1.03 0.00 0.00 39.34 38.66 1wdk n TYR 617 CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 1wdk s GLU 618 N -0.54 2.63 -0.37 -0.72 8.01 -1.21 -5.00 118.70 121.51 1wdk s GLU 618 Ca 0.00 -0.51 0.05 0.00 0.01 0.00 0.00 54.97 54.53 1wdk s GLU 618 Cb 0.00 -2.41 0.46 0.00 -4.31 0.00 0.00 34.13 27.87 1wdk s GLU 618 CO 0.00 -0.73 1.33 0.94 0.01 0.00 0.00 175.26 176.82 1wdk n GLN 619 N -2.44 3.45 -1.60 1.61 -0.06 -1.26 -2.91 117.38 114.17 1wdk n GLN 619 Ca 0.06 -4.03 -0.51 0.00 -2.00 0.00 0.00 57.00 50.51 1wdk n GLN 619 Cb 0.59 -2.28 -0.06 0.00 -4.06 0.00 0.00 30.24 24.43 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 -0.73 1.27 -3.13 3.69 0.63 -0.85 -4.92 116.66 112.62 1wdk n ARG 620 Ca 0.47 0.46 -0.36 0.00 -0.92 0.00 0.00 57.85 57.50 1wdk n ARG 620 Cb 0.90 -2.12 -0.06 0.00 0.45 0.00 0.00 32.46 31.63 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 0.56 7.02 0.04 6.15 1.01 -1.26 -4.64 116.67 125.55 1wdk s ASP 621 Ca 0.84 1.37 -0.10 0.00 0.71 0.00 0.00 52.55 55.37 1wdk s ASP 621 Cb -0.92 -2.40 0.01 0.00 1.01 0.00 0.00 42.92 40.61 1wdk s ASP 621 CO 0.46 0.03 0.22 0.54 0.21 0.00 0.00 175.17 176.62 1wdk s VAL 622 N -1.54 0.10 0.32 -1.27 0.11 -1.26 -5.16 120.40 111.70 1wdk s VAL 622 Ca 0.43 -0.86 0.06 0.00 -2.93 0.00 0.00 61.98 58.69 1wdk s VAL 622 Cb -0.16 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1wdk s VAL 622 CO 0.21 -0.47 0.44 0.42 -3.33 0.00 0.00 175.10 172.36 1wdk s THR 623 N -2.58 4.25 0.40 5.04 -4.23 -1.26 -4.98 115.64 112.27 1wdk s THR 623 Ca -0.05 -1.02 0.06 0.00 -1.18 0.00 0.00 61.69 59.50 1wdk s THR 623 Cb -0.01 -3.47 0.27 0.00 1.34 0.00 0.00 72.50 70.62 1wdk s THR 623 CO -0.04 -0.19 2.05 0.44 -0.54 0.00 0.00 174.62 176.34 1wdk h ASP 624 N 0.97 0.51 -0.57 3.99 3.32 -2.01 -1.44 116.42 121.19 1wdk h ASP 624 Ca -0.47 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 1wdk h ASP 624 Cb 1.25 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 1wdk h ASP 624 CO 0.55 0.37 0.10 -0.08 -1.72 0.00 0.00 179.24 178.45 1wdk h GLU 625 N 0.61 0.98 -0.38 3.56 4.81 -2.00 -2.35 114.58 119.81 1wdk h GLU 625 Ca 0.16 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1wdk h GLU 625 Cb -0.07 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1wdk h GLU 625 CO -0.04 0.91 0.03 -0.44 -0.73 0.00 0.00 179.01 178.74 1wdk h ASP 626 N 0.92 0.63 -0.57 1.04 3.32 -1.68 -2.46 116.42 117.62 1wdk h ASP 626 Ca 0.19 -0.29 0.11 0.00 0.02 0.00 0.00 57.03 57.06 1wdk h ASP 626 Cb 0.41 -0.17 -0.09 0.00 0.22 0.00 0.00 39.33 39.70 1wdk h ASP 626 CO 0.01 0.76 0.05 0.40 -1.72 0.00 0.00 179.24 178.74 1wdk h ILE 627 N 0.48 0.59 -0.77 0.35 2.04 -1.05 0.31 117.51 119.46 1wdk h ILE 627 Ca 0.11 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1wdk h ILE 627 Cb 0.42 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1wdk h ILE 627 CO 0.01 0.03 0.50 0.40 0.00 0.00 0.00 178.15 179.10 1wdk h ILE 628 N 0.17 1.20 -0.13 -0.67 2.04 -1.24 -2.28 117.51 116.59 1wdk h ILE 628 Ca 0.30 -0.37 -0.17 0.00 1.00 0.00 0.00 64.86 65.62 1wdk h ILE 628 Cb 0.46 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1wdk h ILE 628 CO -0.44 0.19 -0.63 0.78 0.00 0.00 0.00 178.15 178.05 1wdk h ASN 629 N 1.04 0.52 -0.07 1.72 2.35 -0.62 0.58 115.58 121.10 1wdk h ASN 629 Ca 0.28 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1wdk h ASN 629 Cb -0.11 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1wdk h ASN 629 CO -0.06 1.02 -0.02 -0.50 -1.65 0.00 0.00 177.43 176.22 1wdk h TRP 630 N 0.33 0.26 0.00 1.19 4.06 -0.21 -0.95 115.95 120.63 1wdk h TRP 630 Ca -0.01 -0.01 -0.09 0.00 2.06 0.00 0.00 58.89 60.84 1wdk h TRP 630 Cb 1.18 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.24 1wdk h TRP 630 CO 0.04 0.29 -0.59 0.52 -3.56 0.00 0.00 178.44 175.14 1wdk h MET 631 N 0.25 0.00 -0.24 0.49 2.86 -1.19 -3.38 114.93 113.72 1wdk h MET 631 Ca 0.06 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.52 1wdk h MET 631 Cb 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1wdk h MET 631 CO 0.01 0.60 -0.56 0.52 1.06 0.00 0.00 176.91 178.54 1wdk h MET 632 N -1.00 0.73 -0.48 1.72 2.86 0.18 -3.23 114.93 115.71 1wdk h MET 632 Ca -0.13 -0.47 0.03 0.00 -2.06 0.00 0.00 59.70 57.08 1wdk h MET 632 Cb 0.83 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.51 1wdk h MET 632 CO -0.08 1.09 0.26 0.82 1.06 0.00 0.00 176.91 180.06 1wdk h ILE 633 N 0.56 0.99 -0.53 -1.22 2.04 -1.36 0.55 117.51 118.54 1wdk h ILE 633 Ca 0.01 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1wdk h ILE 633 Cb 1.14 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1wdk h ILE 633 CO 0.12 0.09 0.25 -0.65 0.00 0.00 0.00 178.15 177.96 1wdk h PRO 634 N 0.51 0.77 -0.14 2.37 0.11 -1.76 -0.75 132.00 133.11 1wdk h PRO 634 Ca 0.20 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 1wdk h PRO 634 Cb 0.08 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1wdk h PRO 634 CO -0.12 0.64 0.09 1.25 -0.21 0.00 0.00 178.00 179.64 1wdk h LEU 635 N 0.72 0.17 -0.40 2.35 6.46 -1.48 -0.98 115.31 122.15 1wdk h LEU 635 Ca 0.18 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1wdk h LEU 635 Cb 0.13 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 1wdk h LEU 635 CO -0.02 0.16 0.16 0.00 -0.62 0.00 0.00 178.44 178.12 1wdk h LEU 637 N 0.50 0.77 -1.13 0.00 3.38 -1.05 -1.39 115.31 116.39 1wdk h LEU 637 Ca 0.13 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1wdk h LEU 637 Cb 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1wdk h LEU 637 CO -0.01 0.86 -0.30 -0.08 0.09 0.00 0.00 178.44 179.00 1wdk h GLU 638 N 0.73 0.23 -0.31 1.13 4.57 -1.01 0.05 114.58 119.98 1wdk h GLU 638 Ca 0.14 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1wdk h GLU 638 Cb 0.50 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1wdk h GLU 638 CO 0.03 0.51 -0.08 1.15 -1.18 0.00 0.00 179.01 179.44 1wdk h THR 639 N 0.21 1.28 -0.59 0.32 2.02 -0.91 -1.14 112.91 114.11 1wdk h THR 639 Ca 0.03 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.09 1wdk h THR 639 Cb 0.63 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 1wdk h THR 639 CO 0.05 0.36 0.39 0.58 0.37 0.00 0.00 175.52 177.27 1wdk h VAL 640 N 0.37 1.14 -0.31 3.16 2.07 -0.68 -1.28 116.25 120.72 1wdk h VAL 640 Ca 0.08 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 1wdk h VAL 640 Cb 0.58 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1wdk h VAL 640 CO 0.03 0.14 -0.34 0.03 0.02 0.00 0.00 177.57 177.46 1wdk h ARG 641 N 0.78 0.67 -0.69 1.57 3.08 -0.63 -1.10 114.38 118.07 1wdk h ARG 641 Ca 0.22 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1wdk h ARG 641 Cb -0.07 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1wdk h ARG 641 CO -0.05 0.92 0.28 0.00 -1.07 0.00 0.00 179.97 180.05 1wdk h LEU 643 N 0.99 0.16 -1.19 0.00 6.46 -1.07 0.22 115.31 120.88 1wdk h LEU 643 Ca 0.23 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.71 1wdk h LEU 643 Cb 0.21 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1wdk h LEU 643 CO -0.02 0.34 -0.09 -0.33 -0.62 0.00 0.00 178.44 177.72 1wdk h GLU 644 N -0.03 0.46 0.00 1.25 5.08 -0.97 -1.82 114.58 118.56 1wdk h GLU 644 Ca 0.03 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1wdk h GLU 644 Cb 0.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1wdk h GLU 644 CO -0.00 0.55 0.00 -0.25 -1.00 0.00 0.00 179.01 178.31 1wdk n ASP 645 N -4.24 0.48 0.00 1.42 8.00 0.90 -4.91 116.55 118.21 1wdk n ASP 645 Ca 0.01 0.56 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1wdk n ASP 645 Cb 0.29 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 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 1.14 0.49 0.29 0.44 0.00 -0.68 -4.91 105.19 101.96 1wdk n GLY 646 Ca 0.06 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.57 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 1.08 -4.05 -0.61 5.03 -1.21 -3.41 117.51 114.34 1wdk h ILE 647 Ca 0.00 -0.16 -0.41 0.00 -0.12 0.00 0.00 64.86 64.17 1wdk h ILE 647 Cb 0.00 0.68 -0.26 0.00 -3.03 0.00 0.00 36.82 34.21 1wdk h ILE 647 CO 0.00 0.08 -0.78 -0.69 -0.68 0.00 0.00 178.15 176.07 1wdk s VAL 648 N -5.34 0.92 0.04 1.67 1.01 -1.24 -1.47 120.40 115.99 1wdk s VAL 648 Ca -0.07 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 1wdk s VAL 648 Cb 0.17 -0.82 -0.21 0.00 0.00 0.00 0.00 36.38 35.52 1wdk s VAL 648 CO 0.71 0.06 1.18 -0.08 0.00 0.00 0.00 175.10 176.98 1wdk h GLU 649 N 5.31 0.55 -5.74 2.72 4.81 -1.84 -3.42 114.58 116.96 1wdk h GLU 649 Ca -0.35 -0.52 -0.51 0.00 -0.13 0.00 0.00 59.36 57.86 1wdk h GLU 649 Cb 1.18 0.13 -0.14 0.00 0.63 0.00 0.00 28.75 30.55 1wdk h GLU 649 CO 0.46 1.15 -0.73 0.95 -0.73 0.00 0.00 179.01 180.11 1wdk s THR 650 N -3.44 1.94 0.29 0.32 -4.23 -1.26 -5.03 115.64 104.22 1wdk s THR 650 Ca -0.12 -2.25 -0.01 0.00 -1.18 0.00 0.00 61.69 58.12 1wdk s THR 650 Cb 0.05 -2.20 0.20 0.00 1.34 0.00 0.00 72.50 71.89 1wdk s THR 650 CO 0.85 -0.48 1.89 0.00 -0.54 0.00 0.00 174.62 176.34 1wdk h ALA 651 N 2.42 1.30 -0.25 3.99 0.00 -1.91 -2.33 119.26 122.47 1wdk h ALA 651 Ca -0.39 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.42 1wdk h ALA 651 Cb 1.23 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1wdk h ALA 651 CO 0.63 0.53 0.03 0.00 0.00 0.00 0.00 179.25 180.44 1wdk h ALA 652 N 1.41 0.25 -0.79 0.00 0.00 -1.95 0.12 119.26 118.30 1wdk h ALA 652 Ca 0.22 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1wdk h ALA 652 Cb 0.12 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1wdk h ALA 652 CO -0.03 -0.39 0.52 0.93 0.00 0.00 0.00 179.25 180.29 1wdk h GLU 653 N 0.12 1.03 -0.33 0.00 5.08 -1.83 0.78 114.58 119.43 1wdk h GLU 653 Ca 0.12 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1wdk h GLU 653 Cb 0.13 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1wdk h GLU 653 CO -0.17 0.68 -0.08 0.00 -1.00 0.00 0.00 179.01 178.44 1wdk h ALA 654 N 1.30 0.45 -0.36 3.43 0.00 -0.91 -0.99 119.26 122.18 1wdk h ALA 654 Ca 0.30 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1wdk h ALA 654 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1wdk h ALA 654 CO -0.07 0.28 -0.30 -0.44 0.00 0.00 0.00 179.25 178.72 1wdk h ASP 655 N 0.41 0.90 0.47 0.00 5.19 -0.54 -2.83 116.42 120.02 1wdk h ASP 655 Ca 0.08 -0.45 -0.10 0.00 -0.62 0.00 0.00 57.03 55.94 1wdk h ASP 655 Cb 0.57 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1wdk h ASP 655 CO 0.03 1.16 -0.47 0.24 -3.12 0.00 0.00 179.24 177.08 1wdk h MET 656 N 0.64 0.01 -0.87 3.56 2.86 -0.86 -0.34 114.93 119.93 1wdk h MET 656 Ca 0.07 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1wdk h MET 656 Cb 0.88 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.50 1wdk h MET 656 CO 0.08 0.48 0.58 0.78 1.06 0.00 0.00 176.91 179.88 1wdk h GLY 657 N 1.41 1.22 1.52 8.32 0.00 -1.01 0.19 103.07 114.72 1wdk h GLY 657 Ca -0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 47.33 46.62 1wdk h GLY 657 CO 0.06 0.44 -1.05 1.41 0.00 0.00 0.00 176.54 177.40 1wdk h LEU 658 N 1.18 0.56 -0.79 3.11 3.38 -1.22 -0.43 115.31 121.10 1wdk h LEU 658 Ca 0.32 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1wdk h LEU 658 Cb -0.13 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1wdk h LEU 658 CO -0.07 1.31 0.36 0.58 0.09 0.00 0.00 178.44 180.71 1wdk h VAL 659 N 0.20 1.25 0.13 1.22 2.07 -0.60 0.55 116.25 121.09 1wdk h VAL 659 Ca -0.11 -0.74 -0.32 0.00 0.82 0.00 0.00 66.70 66.35 1wdk h VAL 659 Cb 1.71 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1wdk h VAL 659 CO 0.18 0.31 -1.63 1.88 0.02 0.00 0.00 177.57 178.33 1wdk h TYR 660 N 1.13 0.51 0.00 1.57 0.99 -0.67 -3.26 116.97 117.24 1wdk h TYR 660 Ca 0.27 -0.38 0.00 0.00 2.00 0.00 0.00 58.73 60.62 1wdk h TYR 660 Cb 0.15 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.86 1wdk h TYR 660 CO 0.01 1.47 -1.37 0.41 -0.00 0.00 0.00 178.16 178.69 1wdk n GLY 661 N 1.74 -1.03 0.00 3.88 0.00 -0.17 -4.06 105.19 105.54 1wdk n GLY 661 Ca -0.20 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.85 0.00 -2.08 -0.61 3.06 0.13 -5.01 119.36 112.99 1wdk n ILE 662 Ca 0.01 -0.43 -0.05 0.00 -2.50 0.00 0.00 62.75 59.78 1wdk n ILE 662 Cb 0.43 0.93 -0.00 0.00 0.54 0.00 0.00 39.64 41.54 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 1.22 0.18 3.65 4.50 0.00 -0.83 -4.94 105.19 108.96 1wdk n GLY 663 Ca 0.00 -0.69 -0.48 0.00 0.00 0.00 0.00 46.02 44.85 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 -4.00 2.04 -1.45 1.61 7.35 -1.08 -4.55 117.46 117.38 1wdk n PHE 664 Ca -0.06 0.38 -0.57 0.00 -0.76 0.00 0.00 57.45 56.45 1wdk n PHE 664 Cb 0.54 -2.48 -0.09 0.00 0.35 0.00 0.00 39.48 37.80 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 3.19 0.63 -0.33 -7.13 -0.02 -1.26 -4.75 135.00 125.34 1wdk n PRO 665 Ca 0.17 0.19 0.06 0.00 -2.02 0.00 0.00 63.50 61.90 1wdk n PRO 665 Cb 0.26 -1.98 0.21 0.00 -0.02 0.00 0.00 33.50 31.96 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 9.65 0.78 0.00 2.45 3.38 -1.91 0.18 115.31 129.84 1wdk h LEU 666 Ca -0.26 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1wdk h LEU 666 Cb 1.36 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1wdk h LEU 666 CO 1.03 0.41 0.00 2.22 0.09 0.00 0.00 178.44 182.19 1wdk n PHE 667 N -4.70 0.00 0.32 1.13 1.16 -1.26 -1.33 117.46 112.77 1wdk n PHE 667 Ca 0.17 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.78 1wdk n PHE 667 Cb 0.34 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.23 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 -0.93 0.77 0.00 3.97 1.74 0.04 -4.29 116.66 117.96 1wdk n ARG 668 Ca 0.10 -0.81 0.00 0.00 -0.77 0.00 0.00 57.85 56.37 1wdk n ARG 668 Cb 0.05 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 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 0.54 1.37 0.00 -0.13 0.00 -0.44 -3.98 105.19 102.54 1wdk n GLY 669 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.37 2.17 0.09 -0.02 0.00 -1.26 -4.79 105.19 101.01 1wdk n GLY 670 Ca 0.00 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.12 -0.56 4.61 0.00 -1.87 -0.68 119.26 120.64 1wdk h ALA 671 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1wdk h ALA 671 Cb 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wdk h ALA 671 CO 0.00 -0.48 -0.02 -0.07 0.00 0.00 0.00 179.25 178.68 1wdk h LEU 672 N -0.31 0.95 -1.40 0.00 3.38 -1.93 -2.15 115.31 113.86 1wdk h LEU 672 Ca -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1wdk h LEU 672 Cb 0.26 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wdk h LEU 672 CO 0.02 1.02 -0.09 -0.09 0.09 0.00 0.00 178.44 179.39 1wdk h ARG 673 N 0.89 0.00 -0.28 1.13 2.43 -1.84 -1.77 114.38 114.94 1wdk h ARG 673 Ca 0.16 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 1wdk h ARG 673 Cb 0.55 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1wdk h ARG 673 CO 0.03 0.09 -0.34 -0.92 -1.51 0.00 0.00 179.97 177.32 1wdk h TYR 674 N 0.00 0.89 -0.71 2.20 3.20 -0.48 -0.56 116.97 121.51 1wdk h TYR 674 Ca -0.00 -0.28 -0.05 0.00 3.14 0.00 0.00 58.73 61.54 1wdk h TYR 674 Cb 0.58 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1wdk h TYR 674 CO 0.00 1.05 0.25 0.82 -1.64 0.00 0.00 178.16 178.64 1wdk h ILE 675 N 0.48 1.25 -0.53 1.81 2.04 -1.02 -1.23 117.51 120.30 1wdk h ILE 675 Ca 0.04 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.02 1wdk h ILE 675 Cb 0.93 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1wdk h ILE 675 CO 0.08 0.32 0.09 0.44 0.00 0.00 0.00 178.15 179.09 1wdk h ASP 676 N 1.03 0.78 -0.36 1.72 5.19 -1.08 0.31 116.42 124.01 1wdk h ASP 676 Ca 0.23 -0.15 -0.07 0.00 -0.62 0.00 0.00 57.03 56.42 1wdk h ASP 676 Cb 0.24 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1wdk h ASP 676 CO -0.01 0.79 -0.06 0.28 -3.12 0.00 0.00 179.24 177.11 1wdk h SER 677 N 0.79 0.68 -0.09 6.45 0.02 -0.34 -2.99 113.55 118.07 1wdk h SER 677 Ca 0.17 -0.35 -0.16 0.00 -0.84 0.00 0.00 61.79 60.60 1wdk h SER 677 Cb 0.34 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1wdk h SER 677 CO 0.00 0.87 -0.52 0.40 -1.14 0.00 0.00 176.83 176.44 1wdk h ILE 678 N 0.48 1.30 0.00 3.27 2.04 -1.03 -3.49 117.51 120.09 1wdk h ILE 678 Ca 0.10 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.21 1wdk h ILE 678 Cb 0.56 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1wdk h ILE 678 CO 0.03 0.55 0.00 0.61 0.00 0.00 0.00 178.15 179.34 1wdk n GLY 679 N 0.25 2.79 0.30 5.37 0.00 0.11 -4.63 105.19 109.38 1wdk n GLY 679 Ca -0.03 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 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 0.33 -0.18 1.61 2.07 -1.81 0.85 116.25 119.13 1wdk h VAL 680 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1wdk h VAL 680 Cb 0.00 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 1wdk h VAL 680 CO 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.52 1wdk h ALA 681 N 0.76 0.09 -0.76 1.67 0.00 -1.90 0.64 119.26 119.76 1wdk h ALA 681 Ca 0.15 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1wdk h ALA 681 Cb 0.49 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1wdk h ALA 681 CO -0.43 -0.50 0.49 0.93 0.00 0.00 0.00 179.25 179.74 1wdk h GLU 682 N -0.04 0.95 -0.54 0.00 3.07 -1.57 -0.64 114.58 115.80 1wdk h GLU 682 Ca 0.09 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1wdk h GLU 682 Cb 0.18 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1wdk h GLU 682 CO -0.21 0.63 0.21 0.35 -1.40 0.00 0.00 179.01 178.60 1wdk h PHE 683 N 0.98 0.83 -0.61 4.33 3.57 0.14 0.16 116.94 126.35 1wdk h PHE 683 Ca 0.29 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 1wdk h PHE 683 Cb -0.05 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 1wdk h PHE 683 CO -0.03 0.68 0.08 0.28 -2.23 0.00 0.00 178.31 177.09 1wdk h VAL 684 N 0.74 1.26 -0.06 1.41 2.07 -0.55 0.95 116.25 122.06 1wdk h VAL 684 Ca 0.18 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1wdk h VAL 684 Cb 0.21 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1wdk h VAL 684 CO -0.01 0.38 0.02 0.00 0.02 0.00 0.00 177.57 177.98 1wdk h ALA 685 N 1.14 0.08 -0.57 1.67 0.00 -0.77 -1.71 119.26 119.11 1wdk h ALA 685 Ca 0.18 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1wdk h ALA 685 Cb 0.44 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1wdk h ALA 685 CO 0.01 -0.34 0.22 1.25 0.00 0.00 0.00 179.25 180.39 1wdk h LEU 686 N -0.06 0.23 -0.26 0.00 6.46 -0.32 -2.40 115.31 118.95 1wdk h LEU 686 Ca 0.02 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1wdk h LEU 686 Cb 0.17 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 1wdk h LEU 686 CO -0.00 0.15 0.15 0.00 -0.62 0.00 0.00 178.44 178.11 1wdk h ALA 687 N 1.38 0.32 -0.76 1.25 0.00 -0.56 -2.26 119.26 118.63 1wdk h ALA 687 Ca 0.28 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1wdk h ALA 687 Cb 0.32 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1wdk h ALA 687 CO -0.27 -0.24 0.50 -0.44 0.00 0.00 0.00 179.25 178.80 1wdk h ASP 688 N 0.31 0.63 -0.46 0.00 3.32 -0.88 -0.86 116.42 118.47 1wdk h ASP 688 Ca 0.10 0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.30 1wdk h ASP 688 Cb 0.00 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1wdk h ASP 688 CO -0.05 0.38 0.35 1.56 -1.72 0.00 0.00 179.24 179.76 1wdk h GLN 689 N 0.70 0.00 -0.41 3.56 4.20 -0.93 0.19 115.11 122.42 1wdk h GLN 689 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1wdk h GLN 689 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1wdk h GLN 689 CO -0.13 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.69 1wdk n TYR 690 N -4.26 1.11 -0.15 2.96 4.02 -0.35 -4.67 117.16 115.82 1wdk n TYR 690 Ca 0.08 -0.71 0.28 0.00 -0.01 0.00 0.00 57.90 57.54 1wdk n TYR 690 Cb 0.56 -0.26 0.68 0.00 -0.02 0.00 0.00 39.34 40.30 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 2.69 2.72 0.00 -0.72 0.00 -0.32 0.23 119.26 123.85 1wdk h ALA 691 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wdk h ALA 691 Cb 1.36 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1wdk h ALA 691 CO 0.21 -1.24 0.00 -0.85 0.00 0.00 0.00 179.25 177.37 1wdk n GLU 692 N -3.77 0.04 0.05 0.00 -0.00 -1.26 -2.76 120.64 112.94 1wdk n GLU 692 Ca 0.18 0.25 0.13 0.00 -0.00 0.00 0.00 57.16 57.73 1wdk n GLU 692 Cb 1.09 -1.57 0.51 0.00 -0.00 0.00 0.00 31.44 31.47 1wdk n GLU 692 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1wdk n LEU 693 N -1.64 0.42 0.00 -1.84 4.77 0.81 -5.03 117.00 114.50 1wdk n LEU 693 Ca 0.04 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1wdk n LEU 693 Cb 0.20 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1wdk n LEU 693 CO 0.16 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1wdk n GLY 694 N 1.39 0.78 0.27 -0.72 0.00 -1.11 -4.82 105.19 100.98 1wdk n GLY 694 Ca 0.06 -2.12 0.16 0.00 0.00 0.00 0.00 46.02 44.12 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 1.07 0.00 4.61 0.00 -1.88 -2.73 119.26 120.34 1wdk h ALA 695 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wdk h ALA 695 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wdk h ALA 695 CO 0.00 0.09 0.00 -0.07 0.00 0.00 0.00 179.25 179.27 1wdk h LEU 696 N 0.00 0.00 -2.93 0.00 3.38 -1.88 -2.62 115.31 111.26 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 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1wdk h LEU 696 CO 0.01 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.32 1wdk n TYR 697 N -2.87 0.85 -3.16 1.13 4.02 -1.03 -4.35 117.16 111.74 1wdk n TYR 697 Ca 0.00 -0.56 -0.42 0.00 -0.01 0.00 0.00 57.90 56.91 1wdk n TYR 697 Cb 0.23 -0.09 -0.07 0.00 -0.02 0.00 0.00 39.34 39.39 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 -1.34 3.13 0.97 -0.72 3.76 -0.99 -4.45 115.29 115.65 1wdk s HIS 698 Ca 0.37 0.09 -0.12 0.00 -0.15 0.00 0.00 55.06 55.25 1wdk s HIS 698 Cb 0.22 -3.14 0.10 0.00 1.11 0.00 0.00 32.58 30.86 1wdk s HIS 698 CO 0.22 -0.70 0.66 -2.30 -0.85 0.00 0.00 174.74 171.77 1wdk n PRO 699 N 6.01 -0.58 -3.71 8.40 -0.02 -1.26 -4.99 135.00 138.84 1wdk n PRO 699 Ca -0.03 -0.12 -0.24 0.00 -2.02 0.00 0.00 63.50 61.09 1wdk n PRO 699 Cb 0.48 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.47 5.20 0.18 3.45 -4.23 -1.26 -4.94 115.64 111.56 1wdk s THR 700 Ca 0.61 -0.66 -0.14 0.00 -1.18 0.00 0.00 61.69 60.32 1wdk s THR 700 Cb -0.21 -3.83 0.08 0.00 1.34 0.00 0.00 72.50 69.88 1wdk s THR 700 CO 0.64 -0.36 1.73 0.00 -0.54 0.00 0.00 174.62 176.09 1wdk h ALA 701 N 1.27 0.51 -0.51 3.99 0.00 -1.99 0.47 119.26 123.00 1wdk h ALA 701 Ca -0.50 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1wdk h ALA 701 Cb 1.22 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1wdk h ALA 701 CO 0.63 -0.29 0.29 1.57 0.00 0.00 0.00 179.25 181.45 1wdk h LYS 702 N 0.25 0.69 0.02 0.00 5.09 -1.99 0.61 116.57 121.25 1wdk h LYS 702 Ca 0.22 -0.06 -0.00 0.00 0.09 0.00 0.00 60.65 60.90 1wdk h LYS 702 Cb 0.27 -0.14 0.00 0.00 0.10 0.00 0.00 32.23 32.45 1wdk h LYS 702 CO -0.27 0.50 -0.01 1.25 -2.09 0.00 0.00 179.45 178.83 1wdk h LEU 703 N 0.70 -0.03 -1.05 7.07 6.46 -1.51 -1.10 115.31 125.85 1wdk h LEU 703 Ca 0.18 -0.32 0.09 0.00 -0.12 0.00 0.00 57.88 57.71 1wdk h LEU 703 Cb 0.01 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 39.87 1wdk h LEU 703 CO -0.03 0.31 0.63 0.03 -0.62 0.00 0.00 178.44 178.76 1wdk h ARG 704 N -0.37 1.03 0.37 1.25 3.08 -0.55 0.55 114.38 119.74 1wdk h ARG 704 Ca -0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1wdk h ARG 704 Cb 0.35 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1wdk h ARG 704 CO 0.01 0.68 -0.18 1.49 -1.07 0.00 0.00 179.97 180.90 1wdk h GLU 705 N 1.06 -0.48 0.00 0.04 4.81 -0.64 -2.52 114.58 116.84 1wdk h GLU 705 Ca 0.45 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 1wdk h GLU 705 Cb 0.33 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1wdk h GLU 705 CO -0.21 -0.27 0.00 0.00 -0.73 0.00 0.00 179.01 177.81 1wdk h MET 706 N -0.59 0.00 -0.03 1.92 -0.00 -0.68 -1.40 114.93 114.15 1wdk h MET 706 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.54 1wdk h MET 706 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.02 1wdk h MET 706 CO 0.08 0.00 -0.49 0.00 -0.00 0.00 0.00 176.91 176.50 1wdk h ALA 707 N 2.13 1.12 0.05 -3.00 0.00 -0.48 -0.19 119.26 118.88 1wdk h ALA 707 Ca 0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 54.91 54.12 1wdk h ALA 707 Cb 0.36 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1wdk h ALA 707 CO 0.00 0.63 -1.92 1.63 0.00 0.00 0.00 179.25 179.59 1wdk n LYS 708 N -3.95 0.68 0.00 0.00 5.02 -0.62 -4.05 118.16 115.24 1wdk n LYS 708 Ca -0.02 0.25 0.07 0.00 -2.02 0.00 0.00 58.31 56.60 1wdk n LYS 708 Cb 0.52 -1.72 0.44 0.00 -0.02 0.00 0.00 35.03 34.24 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 -3.19 0.00 -1.63 4.39 3.02 -0.63 -4.85 115.26 112.37 1wdk n ASN 709 Ca -0.25 -1.28 -0.14 0.00 -0.03 0.00 0.00 54.58 52.87 1wdk n ASN 709 Cb 1.06 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 40.22 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 0.57 -0.19 3.91 7.41 0.00 -1.12 -5.01 105.19 110.76 1wdk n GLY 710 Ca 0.11 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.76 3.59 0.19 1.61 -0.21 -0.10 -5.06 119.66 114.93 1wdk s GLN 711 Ca 0.02 -0.13 -0.01 0.00 0.02 0.00 0.00 55.36 55.26 1wdk s GLN 711 Cb -0.01 -2.73 -0.04 0.00 1.00 0.00 0.00 33.01 31.23 1wdk s GLN 711 CO 0.03 0.30 0.13 -1.54 -2.12 0.00 0.00 175.29 172.09 1wdk s SER 712 N -3.10 0.17 0.25 5.90 1.04 -1.26 -4.61 113.70 112.09 1wdk s SER 712 Ca 0.42 -1.34 0.12 0.00 0.48 0.00 0.00 55.95 55.63 1wdk s SER 712 Cb -0.11 0.37 0.19 0.00 0.10 0.00 0.00 66.02 66.58 1wdk s SER 712 CO 0.29 -0.83 1.50 -0.26 0.98 0.00 0.00 173.24 174.92 1wdk h PHE 713 N 2.65 0.00 0.00 5.02 -1.00 -1.99 -3.38 116.94 118.25 1wdk h PHE 713 Ca -0.36 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.42 1wdk h PHE 713 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 1wdk h PHE 713 CO 0.37 0.65 -0.81 1.19 -1.61 0.00 0.00 178.31 178.10 1wdk n PHE 714 N -3.47 0.00 0.00 -0.55 3.01 -1.26 -4.85 117.46 110.33 1wdk n PHE 714 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1wdk n PHE 714 Cb 0.72 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.19 1wdk n PHE 714 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18