#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkj h HIS 0 N 0.00 0.17 0.00 4.41 -0.00 -1.96 -2.34 115.15 115.43 2wkj h HIS 0 Ca 0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.32 2wkj h HIS 0 Cb 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 2wkj h HIS 0 CO 0.00 0.15 -0.23 1.12 -0.00 0.00 0.00 177.93 178.97 2wkj h HIS 1 N 0.18 0.00 -0.65 2.45 -0.00 -1.98 -3.06 115.15 112.09 2wkj h HIS 1 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2wkj h HIS 1 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.48 2wkj h HIS 1 CO 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 177.93 178.16 2wkj n ALA 2 N -2.23 3.26 -0.31 6.11 0.00 -0.88 -4.64 120.51 121.83 2wkj n ALA 2 Ca 0.00 -1.67 0.30 0.00 0.00 0.00 0.00 53.44 52.07 2wkj n ALA 2 Cb 0.44 -1.05 0.56 0.00 0.00 0.00 0.00 19.45 19.40 2wkj n ALA 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wkj n THR 3 N 1.07 -0.40 0.79 0.00 -1.04 -1.16 -0.98 114.28 112.56 2wkj n THR 3 Ca 0.27 1.94 0.07 0.00 -2.04 0.00 0.00 64.05 64.28 2wkj n THR 3 Cb 0.96 -3.14 0.38 0.00 -1.82 0.00 0.00 70.33 66.71 2wkj n THR 3 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2wkj n ASN 4 N -5.16 0.00 -0.14 8.00 0.23 -1.26 -1.27 115.26 115.67 2wkj n ASN 4 Ca 0.36 -0.34 0.13 0.00 -0.53 0.00 0.00 54.58 54.20 2wkj n ASN 4 Cb 1.22 -0.04 0.43 0.00 -2.08 0.00 0.00 39.78 39.31 2wkj n ASN 4 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2wkj n LEU 5 N -1.04 0.69 -4.76 -4.53 4.77 -0.16 -4.91 117.00 107.07 2wkj n LEU 5 Ca 0.09 -0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.58 2wkj n LEU 5 Cb 0.05 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2wkj n LEU 5 CO 0.08 0.14 1.03 -0.60 -1.33 0.00 0.00 177.39 176.71 2wkj s ARG 6 N -2.64 4.31 0.00 3.23 3.52 -0.39 -4.90 118.95 122.07 2wkj s ARG 6 Ca 0.22 2.27 0.00 0.00 -0.13 0.00 0.00 55.73 58.09 2wkj s ARG 6 Cb 0.19 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 2wkj s ARG 6 CO 0.55 -0.30 0.00 0.41 -0.81 0.00 0.00 175.30 175.15 2wkj n GLY 7 N 1.29 0.37 3.18 8.12 0.00 -1.26 -5.07 105.19 111.82 2wkj n GLY 7 Ca 0.03 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 2wkj n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wkj s VAL 8 N -2.77 3.07 -0.10 1.61 1.01 -1.26 -1.21 120.40 120.75 2wkj s VAL 8 Ca 0.00 -1.35 0.02 0.00 0.00 0.00 0.00 61.98 60.65 2wkj s VAL 8 Cb 0.00 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.63 2wkj s VAL 8 CO 0.00 -0.11 -0.17 -0.04 0.00 0.00 0.00 175.10 174.78 2wkj s MET 9 N 1.27 2.33 0.19 2.72 -1.94 -0.40 -2.06 119.30 121.41 2wkj s MET 9 Ca -0.05 -0.62 -0.30 0.00 -1.71 0.00 0.00 55.69 53.02 2wkj s MET 9 Cb -0.20 -1.90 -0.08 0.00 2.01 0.00 0.00 34.83 34.67 2wkj s MET 9 CO -0.01 0.02 1.14 0.00 -0.01 0.00 0.00 175.02 176.16 2wkj s ALA 10 N 0.75 3.40 -0.67 3.03 0.00 -0.74 -2.73 121.76 124.80 2wkj s ALA 10 Ca -0.11 0.88 -0.28 0.00 0.00 0.00 0.00 51.96 52.45 2wkj s ALA 10 Cb -0.16 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.61 2wkj s ALA 10 CO 0.02 -0.27 1.25 0.00 0.00 0.00 0.00 175.76 176.76 2wkj s ALA 11 N -0.23 2.85 0.24 0.00 0.00 -0.47 -0.68 121.76 123.47 2wkj s ALA 11 Ca 0.50 -1.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 2wkj s ALA 11 Cb -0.31 -4.17 -0.10 0.00 0.00 0.00 0.00 23.12 18.54 2wkj s ALA 11 CO 0.36 -3.04 1.42 -1.17 0.00 0.00 0.00 175.76 173.33 2wkj s LEU 12 N 5.45 4.39 0.53 0.00 2.96 -0.23 -4.51 118.68 127.27 2wkj s LEU 12 Ca 0.39 2.63 -0.16 0.00 -0.22 0.00 0.00 54.13 56.76 2wkj s LEU 12 Cb -0.08 -3.62 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 2wkj s LEU 12 CO 0.19 -0.67 0.99 -0.76 -1.32 0.00 0.00 176.35 174.79 2wkj s LEU 13 N -0.38 3.59 -0.32 -0.68 1.43 -1.26 -2.90 118.68 118.15 2wkj s LEU 13 Ca 0.59 1.58 -0.06 0.00 -1.03 0.00 0.00 54.13 55.21 2wkj s LEU 13 Cb -0.41 -4.51 0.03 0.00 0.03 0.00 0.00 46.19 41.33 2wkj s LEU 13 CO 0.43 -0.65 0.09 -0.89 0.23 0.00 0.00 176.35 175.56 2wkj s THR 14 N -2.64 3.77 0.33 5.49 2.01 -1.26 -4.93 115.64 118.40 2wkj s THR 14 Ca 0.59 -1.01 -0.27 0.00 0.31 0.00 0.00 61.69 61.30 2wkj s THR 14 Cb -0.10 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.24 2wkj s THR 14 CO 0.33 -0.09 1.11 -2.84 -0.69 0.00 0.00 174.62 172.44 2wkj s PRO 15 N 1.42 4.41 0.19 4.92 0.02 -1.26 -4.98 135.00 139.72 2wkj s PRO 15 Ca -0.01 1.76 0.11 0.00 0.02 0.00 0.00 61.00 62.88 2wkj s PRO 15 Cb -0.19 -2.94 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 2wkj s PRO 15 CO 0.02 0.02 -0.24 -0.06 -0.33 0.00 0.00 177.00 176.41 2wkj s PHE 16 N -1.32 2.27 0.57 6.54 0.08 -1.26 -1.29 117.98 123.56 2wkj s PHE 16 Ca 0.50 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 57.14 2wkj s PHE 16 Cb -0.30 -1.13 0.12 0.00 -0.57 0.00 0.00 43.02 41.14 2wkj s PHE 16 CO 0.38 0.48 0.78 -0.40 -0.10 0.00 0.00 175.22 176.35 2wkj n ASP 17 N 0.32 0.64 0.30 1.36 5.68 0.58 -4.43 116.55 121.00 2wkj n ASP 17 Ca -0.13 -1.63 0.18 0.00 -0.50 0.00 0.00 54.79 52.70 2wkj n ASP 17 Cb 0.56 -0.54 0.94 0.00 -1.14 0.00 0.00 41.12 40.94 2wkj n ASP 17 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2wkj h GLN 18 N 0.00 0.00 -0.31 0.11 1.08 -1.93 -0.12 115.11 113.94 2wkj h GLN 18 Ca -0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2wkj h GLN 18 Cb 0.84 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 2wkj h GLN 18 CO 0.23 0.04 0.00 1.04 -0.95 0.00 0.00 178.83 179.19 2wkj n GLN 19 N -3.37 2.17 -1.11 1.46 3.00 -1.26 -4.93 117.38 113.34 2wkj n GLN 19 Ca -0.02 -1.77 -0.04 0.00 -0.01 0.00 0.00 57.00 55.16 2wkj n GLN 19 Cb 0.16 -1.45 -0.02 0.00 0.00 0.00 0.00 30.24 28.93 2wkj n GLN 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2wkj n GLN 20 N 0.98 -0.43 -2.53 -1.09 6.02 -0.06 -5.03 117.38 115.25 2wkj n GLN 20 Ca 0.18 0.51 -0.26 0.00 -0.01 0.00 0.00 57.00 57.42 2wkj n GLN 20 Cb 0.48 -4.13 0.03 0.00 1.02 0.00 0.00 30.24 27.64 2wkj n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wkj s ALA 21 N -2.05 3.42 0.17 -1.58 0.00 -1.26 -4.74 121.76 115.72 2wkj s ALA 21 Ca 0.00 -0.80 -0.33 0.00 0.00 0.00 0.00 51.96 50.83 2wkj s ALA 21 Cb 0.00 -2.48 -0.14 0.00 0.00 0.00 0.00 23.12 20.50 2wkj s ALA 21 CO 0.00 -0.71 1.56 -0.11 0.00 0.00 0.00 175.76 176.50 2wkj n LEU 22 N -2.47 3.14 -4.36 0.00 7.94 -1.26 -0.31 117.00 119.69 2wkj n LEU 22 Ca 0.04 1.09 -0.46 0.00 -1.11 0.00 0.00 56.01 55.57 2wkj n LEU 22 Cb 0.58 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 43.06 2wkj n LEU 22 CO 0.51 -0.29 0.48 -0.62 -1.11 0.00 0.00 177.39 176.36 2wkj s ASP 23 N 0.83 6.56 0.25 1.96 -1.08 -0.41 -4.60 116.67 120.17 2wkj s ASP 23 Ca 0.77 -2.25 -0.04 0.00 -0.52 0.00 0.00 52.55 50.52 2wkj s ASP 23 Cb -0.67 -2.26 0.29 0.00 -1.46 0.00 0.00 42.92 38.82 2wkj s ASP 23 CO 0.39 -0.79 1.76 0.11 0.52 0.00 0.00 175.17 177.16 2wkj h LYS 24 N 8.35 0.89 -0.57 4.34 1.57 -1.91 -0.11 116.57 129.13 2wkj h LYS 24 Ca -0.01 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 2wkj h LYS 24 Cb 1.05 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 2wkj h LYS 24 CO 0.91 0.85 0.04 0.00 -0.57 0.00 0.00 179.45 180.68 2wkj h ALA 25 N 1.23 0.76 -0.14 3.86 0.00 -1.98 -0.55 119.26 122.44 2wkj h ALA 25 Ca 0.17 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2wkj h ALA 25 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2wkj h ALA 25 CO 0.01 0.55 -0.47 0.77 0.00 0.00 0.00 179.25 180.12 2wkj h SER 26 N 0.86 0.39 -0.32 0.00 0.02 -1.77 -1.77 113.55 110.96 2wkj h SER 26 Ca 0.17 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2wkj h SER 26 Cb 0.48 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2wkj h SER 26 CO 0.02 0.80 0.17 0.25 -1.14 0.00 0.00 176.83 176.93 2wkj h LEU 27 N 0.29 0.40 -0.53 5.07 5.85 -0.63 0.55 115.31 126.31 2wkj h LEU 27 Ca 0.02 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 2wkj h LEU 27 Cb 0.94 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 2wkj h LEU 27 CO 0.08 0.38 0.02 0.03 -0.34 0.00 0.00 178.44 178.61 2wkj h ARG 28 N 0.39 0.92 -0.78 1.25 3.08 -1.00 -1.46 114.38 116.77 2wkj h ARG 28 Ca 0.11 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 2wkj h ARG 28 Cb 0.07 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 2wkj h ARG 28 CO -0.02 0.93 0.40 -0.09 -1.07 0.00 0.00 179.97 180.12 2wkj h ARG 29 N 0.79 1.11 -0.49 0.04 9.65 -1.17 -1.38 114.38 122.93 2wkj h ARG 29 Ca 0.15 -0.14 -0.13 0.00 -1.10 0.00 0.00 59.98 58.76 2wkj h ARG 29 Cb 0.50 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 2wkj h ARG 29 CO 0.02 0.83 -0.19 1.25 2.80 0.00 0.00 179.97 184.69 2wkj h LEU 30 N 1.10 1.02 -0.13 3.80 5.85 -0.50 0.39 115.31 126.84 2wkj h LEU 30 Ca 0.27 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2wkj h LEU 30 Cb 0.08 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2wkj h LEU 30 CO -0.04 1.17 0.08 0.58 -0.34 0.00 0.00 178.44 179.89 2wkj h VAL 31 N 0.86 1.08 -0.79 1.05 2.07 -1.02 -1.54 116.25 117.95 2wkj h VAL 31 Ca 0.12 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2wkj h VAL 31 Cb 0.77 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2wkj h VAL 31 CO 0.06 0.07 0.36 1.56 0.02 0.00 0.00 177.57 179.65 2wkj h GLN 32 N 0.13 1.14 -0.40 1.57 1.08 -1.01 -1.50 115.11 116.11 2wkj h GLN 32 Ca 0.05 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2wkj h GLN 32 Cb 0.05 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 2wkj h GLN 32 CO -0.01 0.89 0.22 0.35 -0.95 0.00 0.00 178.83 179.32 2wkj h PHE 33 N 1.13 0.56 -0.63 2.96 3.57 -0.79 0.64 116.94 124.39 2wkj h PHE 33 Ca 0.27 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.77 2wkj h PHE 33 Cb 0.13 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 2wkj h PHE 33 CO 0.01 0.44 0.40 -0.91 -2.23 0.00 0.00 178.31 176.02 2wkj h ASN 34 N 0.52 0.66 -0.32 0.41 2.35 -0.97 -1.97 115.58 116.27 2wkj h ASN 34 Ca 0.14 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2wkj h ASN 34 Cb 0.07 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2wkj h ASN 34 CO -0.02 0.47 0.17 0.40 -1.65 0.00 0.00 177.43 176.80 2wkj h ILE 35 N 0.79 1.14 -0.57 2.81 2.04 -0.89 -2.86 117.51 119.98 2wkj h ILE 35 Ca 0.24 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2wkj h ILE 35 Cb -0.03 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2wkj h ILE 35 CO -0.08 0.15 0.35 -0.61 0.00 0.00 0.00 178.15 177.96 2wkj h GLN 36 N 0.39 0.76 -0.09 2.37 4.15 -0.61 -1.16 115.11 120.93 2wkj h GLN 36 Ca 0.11 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2wkj h GLN 36 Cb 0.08 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2wkj h GLN 36 CO -0.02 0.53 0.00 0.00 -1.93 0.00 0.00 178.83 177.41 2wkj n GLN 37 N -4.43 1.43 -0.46 1.69 10.64 -0.76 -4.92 117.38 120.57 2wkj n GLN 37 Ca 0.05 -0.64 0.00 0.00 -1.83 0.00 0.00 57.00 54.58 2wkj n GLN 37 Cb 0.07 -1.35 0.00 0.00 -0.86 0.00 0.00 30.24 28.09 2wkj n GLN 37 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2wkj n GLY 38 N 0.99 0.78 3.75 2.61 0.00 -0.44 -4.76 105.19 108.13 2wkj n GLY 38 Ca 0.15 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 2wkj n GLY 38 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wkj s ILE 39 N -2.00 2.56 -0.02 -0.61 1.10 -1.09 -4.92 121.20 116.22 2wkj s ILE 39 Ca 0.00 0.38 0.21 0.00 -0.51 0.00 0.00 60.65 60.73 2wkj s ILE 39 Cb 0.00 -3.17 0.18 0.00 0.15 0.00 0.00 42.46 39.62 2wkj s ILE 39 CO 0.00 -0.05 1.67 0.44 -2.11 0.00 0.00 174.94 174.89 2wkj h ASP 40 N 1.23 0.00 -5.99 4.50 3.32 -1.78 -3.47 116.42 114.24 2wkj h ASP 40 Ca -0.50 0.00 0.41 0.00 0.02 0.00 0.00 57.03 56.96 2wkj h ASP 40 Cb 1.29 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.75 2wkj h ASP 40 CO 0.56 0.31 1.01 -0.83 -1.72 0.00 0.00 179.24 178.58 2wkj s GLY 41 N -4.34 -0.26 -0.02 2.75 0.00 -1.25 -1.87 107.32 102.33 2wkj s GLY 41 Ca 0.02 0.28 0.04 0.00 0.00 0.00 0.00 44.72 45.07 2wkj s GLY 41 CO 0.68 5.90 -0.15 1.08 0.00 0.00 0.00 173.10 180.61 2wkj s LEU 42 N -3.82 1.99 -0.36 0.66 1.43 -0.22 -1.79 118.68 116.56 2wkj s LEU 42 Ca 0.30 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.04 2wkj s LEU 42 Cb 0.01 -0.80 0.05 0.00 0.03 0.00 0.00 46.19 45.48 2wkj s LEU 42 CO -0.03 0.17 0.15 -0.47 0.23 0.00 0.00 176.35 176.40 2wkj s TYR 43 N -0.25 3.28 -0.12 0.29 5.04 0.14 -0.93 117.35 124.80 2wkj s TYR 43 Ca 0.04 -1.42 -0.03 0.00 -2.44 0.00 0.00 57.07 53.21 2wkj s TYR 43 Cb -0.07 -2.46 -0.03 0.00 0.35 0.00 0.00 41.96 39.75 2wkj s TYR 43 CO -0.00 -0.75 -0.01 0.08 -1.34 0.00 0.00 175.55 173.53 2wkj s VAL 44 N 1.42 4.16 -0.44 3.14 1.01 0.20 -1.07 120.40 128.82 2wkj s VAL 44 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2wkj s VAL 44 Cb -0.20 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.39 2wkj s VAL 44 CO 0.03 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2wkj n GLY 45 N 2.80 0.42 0.00 4.51 0.00 -1.26 -0.35 105.19 111.32 2wkj n GLY 45 Ca -0.18 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2wkj n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wkj n GLY 46 N -1.61 -0.27 0.18 -0.02 0.00 -1.26 -4.49 105.19 97.72 2wkj n GLY 46 Ca -0.05 -1.76 -0.04 0.00 0.00 0.00 0.00 46.02 44.18 2wkj n GLY 46 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wkj h SER 47 N 0.00 0.07 0.25 1.61 0.02 -1.96 -1.53 113.55 112.01 2wkj h SER 47 Ca 0.00 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 2wkj h SER 47 Cb 0.00 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2wkj h SER 47 CO 0.00 0.07 -0.19 0.74 -1.14 0.00 0.00 176.83 176.31 2wkj h THR 48 N 0.26 1.00 0.00 -2.27 2.02 -1.90 -1.56 112.91 110.47 2wkj h THR 48 Ca 0.22 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2wkj h THR 48 Cb 0.26 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2wkj h THR 48 CO -0.26 0.19 0.00 0.61 0.37 0.00 0.00 175.52 176.43 2wkj n GLY 49 N -0.85 -0.86 2.87 2.16 0.00 -0.59 -4.38 105.19 103.54 2wkj n GLY 49 Ca -0.02 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 2wkj n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wkj n GLU 50 N -0.97 -4.43 -0.31 1.61 1.02 -0.59 -4.17 120.64 112.80 2wkj n GLU 50 Ca 0.19 0.79 0.07 0.00 -0.02 0.00 0.00 57.16 58.19 2wkj n GLU 50 Cb 0.09 -5.42 0.22 0.00 -0.02 0.00 0.00 31.44 26.31 2wkj n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wkj h ALA 51 N 0.88 1.33 -0.04 0.62 0.00 -1.70 -2.40 119.26 117.94 2wkj h ALA 51 Ca -0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2wkj h ALA 51 Cb 1.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wkj h ALA 51 CO 0.50 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.95 2wkj n PHE 52 N -4.78 0.05 -1.28 0.00 3.72 -1.26 -1.84 117.46 112.07 2wkj n PHE 52 Ca 0.17 -0.02 0.08 0.00 -0.05 0.00 0.00 57.45 57.63 2wkj n PHE 52 Cb 0.39 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.10 2wkj n PHE 52 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2wkj n VAL 53 N -0.54 1.98 -4.58 -4.37 0.24 -0.91 -5.02 118.33 105.13 2wkj n VAL 53 Ca 0.15 -2.60 -0.29 0.00 -2.04 0.00 0.00 64.34 59.57 2wkj n VAL 53 Cb 0.13 -0.23 -0.14 0.00 -1.47 0.00 0.00 33.84 32.14 2wkj n VAL 53 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2wkj s GLN 54 N -2.97 1.51 0.83 7.34 -0.21 -0.76 -5.06 119.66 120.34 2wkj s GLN 54 Ca 0.34 -1.21 -0.12 0.00 0.02 0.00 0.00 55.36 54.40 2wkj s GLN 54 Cb 0.31 -1.83 0.09 0.00 1.00 0.00 0.00 33.01 32.58 2wkj s GLN 54 CO -0.01 0.45 1.10 -1.54 -2.12 0.00 0.00 175.29 173.18 2wkj s SER 55 N -1.67 4.14 0.20 5.90 1.04 -1.26 -4.87 113.70 117.18 2wkj s SER 55 Ca 0.12 1.29 -0.11 0.00 0.48 0.00 0.00 55.95 57.73 2wkj s SER 55 Cb -0.10 -1.99 0.19 0.00 0.10 0.00 0.00 66.02 64.21 2wkj s SER 55 CO 0.04 -2.19 1.80 -0.07 0.98 0.00 0.00 173.24 173.80 2wkj h LEU 56 N -1.24 0.50 -0.64 2.42 3.38 -1.99 -0.80 115.31 116.93 2wkj h LEU 56 Ca -0.48 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.52 2wkj h LEU 56 Cb 1.28 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2wkj h LEU 56 CO 0.59 0.33 0.42 -1.28 0.09 0.00 0.00 178.44 178.59 2wkj h SER 57 N 0.63 0.73 -0.59 -0.43 0.87 -1.99 -0.13 113.55 112.65 2wkj h SER 57 Ca 0.26 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 2wkj h SER 57 Cb 0.14 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 2wkj h SER 57 CO -0.16 0.53 0.22 -0.33 -0.53 0.00 0.00 176.83 176.56 2wkj h GLU 58 N 0.86 0.89 -0.78 2.24 5.08 -1.83 -0.72 114.58 120.32 2wkj h GLU 58 Ca 0.24 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2wkj h GLU 58 Cb -0.09 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 2wkj h GLU 58 CO -0.06 0.77 0.40 0.00 -1.00 0.00 0.00 179.01 179.13 2wkj h ARG 59 N 0.82 1.11 -0.65 2.33 3.08 -0.69 -2.06 114.38 118.32 2wkj h ARG 59 Ca 0.19 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 2wkj h ARG 59 Cb 0.23 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2wkj h ARG 59 CO -0.01 0.84 0.23 0.93 -1.07 0.00 0.00 179.97 180.89 2wkj h GLU 60 N 1.09 1.00 -0.65 0.04 5.08 -0.79 -1.13 114.58 119.23 2wkj h GLU 60 Ca 0.27 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2wkj h GLU 60 Cb 0.08 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2wkj h GLU 60 CO -0.04 0.86 0.41 0.37 -1.00 0.00 0.00 179.01 179.60 2wkj h GLN 61 N 0.93 0.78 -0.09 2.33 4.15 -0.77 0.57 115.11 123.02 2wkj h GLN 61 Ca 0.21 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 2wkj h GLN 61 Cb 0.25 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 2wkj h GLN 61 CO -0.01 0.52 0.04 0.28 -1.93 0.00 0.00 178.83 177.72 2wkj h VAL 62 N 0.80 1.13 -0.47 2.39 2.07 -1.13 -1.87 116.25 119.18 2wkj h VAL 62 Ca 0.26 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 67.45 2wkj h VAL 62 Cb -0.00 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 2wkj h VAL 62 CO -0.09 0.12 0.10 -0.07 0.02 0.00 0.00 177.57 177.64 2wkj h LEU 63 N -0.01 0.02 -0.36 2.57 3.38 -0.81 -1.24 115.31 118.86 2wkj h LEU 63 Ca 0.03 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wkj h LEU 63 Cb 0.15 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2wkj h LEU 63 CO -0.00 0.04 0.24 -0.08 0.09 0.00 0.00 178.44 178.72 2wkj h GLU 64 N 0.24 0.47 -0.43 1.13 4.81 -0.79 -1.53 114.58 118.47 2wkj h GLU 64 Ca 0.23 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 2wkj h GLU 64 Cb 0.30 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2wkj h GLU 64 CO -0.30 0.31 -0.13 0.82 -0.73 0.00 0.00 179.01 178.98 2wkj h ILE 65 N 0.48 1.27 -0.52 2.32 2.04 -1.07 -1.52 117.51 120.52 2wkj h ILE 65 Ca 0.13 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 2wkj h ILE 65 Cb -0.06 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2wkj h ILE 65 CO -0.03 0.42 0.30 0.58 0.00 0.00 0.00 178.15 179.42 2wkj h VAL 66 N 0.68 1.17 -0.73 1.67 2.07 -1.07 -1.65 116.25 118.38 2wkj h VAL 66 Ca 0.11 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2wkj h VAL 66 Cb 0.68 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2wkj h VAL 66 CO 0.05 0.17 0.34 0.00 0.02 0.00 0.00 177.57 178.15 2wkj h ALA 67 N 1.14 0.94 -0.62 1.67 0.00 -1.14 0.72 119.26 121.97 2wkj h ALA 67 Ca 0.18 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2wkj h ALA 67 Cb 0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 17.44 2wkj h ALA 67 CO -0.03 0.51 0.20 0.93 0.00 0.00 0.00 179.25 180.86 2wkj h GLU 68 N 1.02 0.34 0.01 0.00 5.08 -0.85 0.94 114.58 121.13 2wkj h GLU 68 Ca 0.25 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.39 2wkj h GLU 68 Cb 0.13 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2wkj h GLU 68 CO -0.03 0.23 -0.89 0.93 -1.00 0.00 0.00 179.01 178.25 2wkj h GLU 69 N 0.36 0.18 0.00 2.33 4.39 -0.80 -3.41 114.58 117.63 2wkj h GLU 69 Ca 0.32 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2wkj h GLU 69 Cb 0.44 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2wkj h GLU 69 CO -0.35 0.95 -0.57 0.00 -1.16 0.00 0.00 179.01 177.88 2wkj n ALA 70 N -2.46 1.54 -1.63 3.43 0.00 0.20 -4.96 120.51 116.63 2wkj n ALA 70 Ca -0.03 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.92 2wkj n ALA 70 Cb 0.81 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.22 2wkj n ALA 70 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wkj n LYS 71 N -1.05 1.71 -0.17 0.00 4.81 0.30 -1.03 118.16 122.72 2wkj n LYS 71 Ca 0.00 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 2wkj n LYS 71 Cb 0.00 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 32.74 2wkj n LYS 71 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wkj n GLY 72 N 2.90 2.52 0.13 3.14 0.00 -1.26 -4.82 105.19 107.80 2wkj n GLY 72 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 2wkj n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wkj n LYS 73 N -2.00 0.66 -4.20 1.61 5.02 -0.19 -5.02 118.16 114.03 2wkj n LYS 73 Ca 0.00 0.18 -0.12 0.00 -2.02 0.00 0.00 58.31 56.35 2wkj n LYS 73 Cb 0.00 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 33.37 2wkj n LYS 73 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2wkj s ILE 74 N -2.52 0.15 0.39 -0.18 -4.36 -1.17 -5.06 121.20 108.44 2wkj s ILE 74 Ca -0.34 -1.97 -0.24 0.00 -0.26 0.00 0.00 60.65 57.84 2wkj s ILE 74 Cb 0.09 -2.33 -0.09 0.00 1.25 0.00 0.00 42.46 41.38 2wkj s ILE 74 CO 0.61 -0.19 1.07 -0.54 0.24 0.00 0.00 174.94 176.13 2wkj s LYS 75 N -4.09 4.16 -0.12 0.37 -0.14 -0.78 -4.75 119.74 114.39 2wkj s LYS 75 Ca 0.33 1.58 -0.00 0.00 -1.36 0.00 0.00 55.97 56.52 2wkj s LYS 75 Cb 0.07 -2.60 0.02 0.00 -1.68 0.00 0.00 37.83 33.65 2wkj s LYS 75 CO 0.08 -0.16 -0.10 -0.51 -0.76 0.00 0.00 175.35 173.91 2wkj s LEU 76 N -2.56 1.33 -0.17 3.17 1.43 -1.26 -1.06 118.68 119.57 2wkj s LEU 76 Ca 0.57 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2wkj s LEU 76 Cb -0.24 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.05 2wkj s LEU 76 CO 0.30 -0.10 -0.16 -0.63 0.23 0.00 0.00 176.35 175.99 2wkj s ILE 77 N 1.61 2.50 -0.32 -0.59 1.01 -0.11 -0.81 121.20 124.49 2wkj s ILE 77 Ca 0.04 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.71 2wkj s ILE 77 Cb -0.13 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 2wkj s ILE 77 CO -0.08 0.52 0.48 0.00 0.00 0.00 0.00 174.94 175.85 2wkj s ALA 78 N 1.01 3.51 -0.43 9.38 0.00 -0.10 -0.63 121.76 134.50 2wkj s ALA 78 Ca -0.02 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 50.73 2wkj s ALA 78 Cb -0.15 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.07 2wkj s ALA 78 CO -0.04 -1.03 1.09 -1.58 0.00 0.00 0.00 175.76 174.20 2wkj s HIS 79 N 2.29 2.92 -1.83 0.00 2.46 0.53 -0.46 115.29 121.20 2wkj s HIS 79 Ca 0.18 0.82 0.15 0.00 0.47 0.00 0.00 55.06 56.67 2wkj s HIS 79 Cb -0.16 -4.17 0.14 0.00 -0.13 0.00 0.00 32.58 28.26 2wkj s HIS 79 CO 0.12 -1.10 1.00 1.33 -2.47 0.00 0.00 174.74 173.61 2wkj n VAL 80 N 6.51 0.06 -2.28 0.89 0.24 0.55 -4.61 118.33 119.70 2wkj n VAL 80 Ca 0.11 -0.53 -0.41 0.00 -2.04 0.00 0.00 64.34 61.47 2wkj n VAL 80 Cb 0.48 1.26 -0.03 0.00 -1.47 0.00 0.00 33.84 34.09 2wkj n VAL 80 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wkj s GLY 81 N -1.23 2.55 0.32 7.63 0.00 -1.18 -4.27 107.32 111.14 2wkj s GLY 81 Ca 0.18 1.04 0.03 0.00 0.00 0.00 0.00 44.72 45.97 2wkj s GLY 81 CO 0.19 1.98 0.09 0.00 0.00 0.00 0.00 173.10 175.36 2wkj h VAL 83 N 2.13 1.16 -3.24 0.00 2.07 -1.94 -3.43 116.25 112.99 2wkj h VAL 83 Ca -0.39 -0.49 -0.53 0.00 0.82 0.00 0.00 66.70 66.12 2wkj h VAL 83 Cb 1.25 1.11 0.03 0.00 -1.52 0.00 0.00 31.29 32.16 2wkj h VAL 83 CO 0.64 0.16 0.69 -0.55 0.02 0.00 0.00 177.57 178.52 2wkj s SER 84 N -5.61 6.85 0.10 0.57 0.15 -1.26 -4.84 113.70 109.67 2wkj s SER 84 Ca -0.14 2.39 -0.19 0.00 0.70 0.00 0.00 55.95 58.72 2wkj s SER 84 Cb 0.07 -2.60 -0.07 0.00 -1.71 0.00 0.00 66.02 61.72 2wkj s SER 84 CO 0.71 -0.59 1.65 0.74 1.20 0.00 0.00 173.24 176.95 2wkj h THR 85 N 3.92 1.17 -0.94 6.45 2.02 -1.96 -2.55 112.91 121.01 2wkj h THR 85 Ca -0.44 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 2wkj h THR 85 Cb 1.21 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.62 2wkj h THR 85 CO 0.81 0.17 0.56 0.00 0.37 0.00 0.00 175.52 177.42 2wkj h ALA 86 N 0.95 1.21 -0.64 6.16 0.00 -1.97 0.25 119.26 125.21 2wkj h ALA 86 Ca 0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2wkj h ALA 86 Cb 0.17 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2wkj h ALA 86 CO -0.01 0.67 0.14 0.93 0.00 0.00 0.00 179.25 180.98 2wkj h GLU 87 N 1.30 1.04 -0.77 0.00 5.08 -1.96 -1.26 114.58 118.00 2wkj h GLU 87 Ca 0.34 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2wkj h GLU 87 Cb -0.04 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2wkj h GLU 87 CO -0.06 0.94 0.34 0.77 -1.00 0.00 0.00 179.01 180.00 2wkj h SER 88 N 0.96 1.04 -0.68 1.42 0.02 -0.93 -2.14 113.55 113.24 2wkj h SER 88 Ca 0.20 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2wkj h SER 88 Cb 0.38 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 2wkj h SER 88 CO 0.00 0.91 0.28 1.56 -1.14 0.00 0.00 176.83 178.44 2wkj h GLN 89 N 1.10 1.01 -0.26 3.45 4.20 -0.61 0.29 115.11 124.30 2wkj h GLN 89 Ca 0.26 -0.18 0.04 0.00 0.06 0.00 0.00 58.65 58.83 2wkj h GLN 89 Cb 0.17 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 2wkj h GLN 89 CO -0.03 0.83 0.04 0.37 -0.67 0.00 0.00 178.83 179.37 2wkj h GLN 90 N 0.96 0.13 -0.52 1.46 4.15 -0.85 -1.26 115.11 119.18 2wkj h GLN 90 Ca 0.23 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.57 2wkj h GLN 90 Cb 0.20 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 2wkj h GLN 90 CO -0.02 0.08 0.04 -0.07 -1.93 0.00 0.00 178.83 176.93 2wkj h LEU 91 N 0.13 0.81 -0.63 -2.39 3.38 -1.01 -2.00 115.31 113.60 2wkj h LEU 91 Ca 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2wkj h LEU 91 Cb 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2wkj h LEU 91 CO -0.17 0.85 0.37 0.00 0.09 0.00 0.00 178.44 179.58 2wkj h ALA 92 N 1.24 0.80 -0.81 1.53 0.00 -0.62 0.46 119.26 121.87 2wkj h ALA 92 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wkj h ALA 92 Cb 0.42 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2wkj h ALA 92 CO 0.01 0.29 0.47 0.00 0.00 0.00 0.00 179.25 180.02 2wkj h ALA 93 N 1.18 1.03 -0.42 0.00 0.00 -1.03 -1.35 119.26 118.67 2wkj h ALA 93 Ca 0.22 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2wkj h ALA 93 Cb -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2wkj h ALA 93 CO -0.04 0.52 0.06 0.77 0.00 0.00 0.00 179.25 180.56 2wkj h SER 94 N 1.11 0.67 -0.92 0.00 0.02 -0.95 -1.33 113.55 112.15 2wkj h SER 94 Ca 0.29 -0.27 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2wkj h SER 94 Cb -0.01 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.30 2wkj h SER 94 CO -0.05 0.77 0.61 0.00 -1.14 0.00 0.00 176.83 177.02 2wkj h ALA 95 N 0.93 1.40 -0.06 3.77 0.00 -0.52 -1.25 119.26 123.53 2wkj h ALA 95 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wkj h ALA 95 Cb 0.39 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wkj h ALA 95 CO 0.01 0.51 0.03 -0.22 0.00 0.00 0.00 179.25 179.57 2wkj h LYS 96 N 1.17 0.09 -0.61 0.00 1.63 -1.01 -2.19 116.57 115.65 2wkj h LYS 96 Ca 0.37 -0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.24 2wkj h LYS 96 Cb 0.00 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.58 2wkj h LYS 96 CO -0.11 0.20 0.41 0.00 -3.45 0.00 0.00 179.45 176.50 2wkj h ARG 97 N -0.05 0.47 -0.01 1.90 3.08 -0.56 -2.12 114.38 117.10 2wkj h ARG 97 Ca 0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2wkj h ARG 97 Cb 0.15 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2wkj h ARG 97 CO -0.00 0.31 -0.09 0.66 -1.07 0.00 0.00 179.97 179.78 2wkj n TYR 98 N -4.48 0.00 -1.56 3.04 4.01 -0.53 -4.94 117.16 112.70 2wkj n TYR 98 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2wkj n TYR 98 Cb 0.32 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 2wkj n TYR 98 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wkj n GLY 99 N 1.22 0.74 3.73 2.72 0.00 -0.80 -4.85 105.19 107.95 2wkj n GLY 99 Ca 0.17 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 2wkj n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wkj s PHE 100 N -2.01 2.18 -0.19 1.61 0.40 -0.86 -4.92 117.98 114.19 2wkj s PHE 100 Ca 0.00 1.65 0.19 0.00 -0.60 0.00 0.00 56.93 58.17 2wkj s PHE 100 Cb 0.00 -3.21 -0.02 0.00 0.51 0.00 0.00 43.02 40.30 2wkj s PHE 100 CO 0.00 -2.23 1.05 -0.44 0.70 0.00 0.00 175.22 174.30 2wkj h ASP 101 N -1.22 0.00 -4.95 1.36 3.32 -1.32 -3.46 116.42 110.14 2wkj h ASP 101 Ca -0.44 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.62 2wkj h ASP 101 Cb 1.25 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.68 2wkj h ASP 101 CO 0.48 0.32 0.26 0.00 -1.72 0.00 0.00 179.24 178.57 2wkj s ALA 102 N -3.11 -1.61 0.35 3.45 0.00 -1.02 -4.09 121.76 115.74 2wkj s ALA 102 Ca -0.00 0.50 0.09 0.00 0.00 0.00 0.00 51.96 52.55 2wkj s ALA 102 Cb 0.08 0.82 -0.06 0.00 0.00 0.00 0.00 23.12 23.96 2wkj s ALA 102 CO 0.78 -0.78 0.00 0.14 0.00 0.00 0.00 175.76 175.91 2wkj s VAL 103 N -3.67 2.49 0.03 0.00 -7.23 -0.16 -0.93 120.40 110.93 2wkj s VAL 103 Ca 0.02 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 2wkj s VAL 103 Cb -0.01 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.15 2wkj s VAL 103 CO -0.11 -0.17 0.32 -0.55 -0.31 0.00 0.00 175.10 174.28 2wkj s SER 104 N -3.71 -0.16 -0.14 4.85 0.15 0.39 -0.26 113.70 114.82 2wkj s SER 104 Ca 0.35 -0.09 -0.07 0.00 0.70 0.00 0.00 55.95 56.84 2wkj s SER 104 Cb 0.01 0.35 0.06 0.00 -1.71 0.00 0.00 66.02 64.73 2wkj s SER 104 CO 0.19 -0.57 0.33 0.00 1.20 0.00 0.00 173.24 174.39 2wkj s ALA 105 N -2.17 -0.80 0.50 5.45 0.00 -1.14 -0.33 121.76 123.27 2wkj s ALA 105 Ca -0.08 1.23 -0.23 0.00 0.00 0.00 0.00 51.96 52.88 2wkj s ALA 105 Cb -0.02 -0.92 -0.07 0.00 0.00 0.00 0.00 23.12 22.12 2wkj s ALA 105 CO -0.01 -0.40 1.38 1.55 0.00 0.00 0.00 175.76 178.28 2wkj n VAL 106 N 4.67 3.33 -1.68 0.00 3.14 -1.26 -2.50 118.33 124.04 2wkj n VAL 106 Ca -0.18 -0.50 -0.46 0.00 -2.96 0.00 0.00 64.34 60.24 2wkj n VAL 106 Cb 0.52 -1.72 -0.04 0.00 -1.06 0.00 0.00 33.84 31.54 2wkj n VAL 106 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2wkj n THR 107 N -0.66 0.15 -1.97 1.55 -2.24 -1.00 -4.80 114.28 105.30 2wkj n THR 107 Ca 0.08 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.43 2wkj n THR 107 Cb 0.43 -1.68 -0.01 0.00 -2.10 0.00 0.00 70.33 66.98 2wkj n THR 107 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2wkj s PRO 108 N 1.71 4.10 0.10 -0.78 0.04 -1.26 -4.94 135.00 133.96 2wkj s PRO 108 Ca 0.82 2.33 0.00 0.00 0.04 0.00 0.00 61.00 64.19 2wkj s PRO 108 Cb -0.66 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2wkj s PRO 108 CO 0.40 -0.45 0.01 1.97 0.04 0.00 0.00 177.00 178.97 2wkj n PHE 109 N 0.40 0.08 0.00 0.56 -1.74 -1.26 -4.86 117.46 110.63 2wkj n PHE 109 Ca 0.02 -0.49 0.00 0.00 -0.56 0.00 0.00 57.45 56.42 2wkj n PHE 109 Cb 0.41 -0.07 0.00 0.00 1.52 0.00 0.00 39.48 41.35 2wkj n PHE 109 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 2wkj n TYR 110 N -0.30 0.00 -2.72 2.97 4.19 -1.26 -4.83 117.16 115.21 2wkj n TYR 110 Ca -0.04 0.00 -0.41 0.00 3.31 0.00 0.00 57.90 60.76 2wkj n TYR 110 Cb 0.13 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 39.91 2wkj n TYR 110 CO 0.00 0.00 0.00 0.71 0.91 0.00 0.00 176.86 178.48 2wkj s TYR 111 N 0.00 3.79 0.19 2.98 2.02 -1.26 -5.01 117.35 120.06 2wkj s TYR 111 Ca 0.00 1.79 -0.31 0.00 -0.37 0.00 0.00 57.07 58.18 2wkj s TYR 111 Cb 0.00 -3.07 -0.09 0.00 -0.40 0.00 0.00 41.96 38.40 2wkj s TYR 111 CO 0.00 0.17 1.46 -2.14 -1.57 0.00 0.00 175.55 173.47 2wkj s PRO 112 N 0.09 4.27 0.15 -1.71 0.02 -1.26 -5.01 135.00 131.55 2wkj s PRO 112 Ca 0.47 2.25 0.10 0.00 0.02 0.00 0.00 61.00 63.85 2wkj s PRO 112 Cb -0.23 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 2wkj s PRO 112 CO 0.30 -0.47 -0.24 -0.06 -0.33 0.00 0.00 177.00 176.20 2wkj s PHE 113 N 0.61 2.15 0.81 6.54 0.08 -1.26 -5.14 117.98 121.77 2wkj s PHE 113 Ca 0.64 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 57.18 2wkj s PHE 113 Cb -0.41 -1.12 0.08 0.00 -0.57 0.00 0.00 43.02 41.00 2wkj s PHE 113 CO 0.36 0.37 1.11 -1.54 -0.10 0.00 0.00 175.22 175.42 2wkj s SER 114 N -2.33 4.36 0.21 1.36 1.04 -1.26 -4.84 113.70 112.23 2wkj s SER 114 Ca 0.15 1.20 -0.09 0.00 0.48 0.00 0.00 55.95 57.70 2wkj s SER 114 Cb -0.09 -1.90 0.15 0.00 0.10 0.00 0.00 66.02 64.29 2wkj s SER 114 CO 0.07 -2.04 1.79 0.15 0.98 0.00 0.00 173.24 174.19 2wkj h PHE 115 N -1.14 1.13 -0.69 5.02 3.57 -2.01 -0.96 116.94 121.88 2wkj h PHE 115 Ca -0.48 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 60.96 2wkj h PHE 115 Cb 1.28 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 2wkj h PHE 115 CO 0.42 0.84 0.45 1.49 -2.23 0.00 0.00 178.31 179.29 2wkj h GLU 116 N 1.10 0.90 -0.49 1.11 4.81 -1.99 -0.57 114.58 119.45 2wkj h GLU 116 Ca 0.26 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 2wkj h GLU 116 Cb 0.16 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 2wkj h GLU 116 CO -0.03 0.60 0.24 0.93 -0.73 0.00 0.00 179.01 180.02 2wkj h GLU 117 N 0.93 0.47 -0.38 1.92 5.08 -1.77 -0.53 114.58 120.29 2wkj h GLU 117 Ca 0.25 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 2wkj h GLU 117 Cb -0.11 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 28.99 2wkj h GLU 117 CO -0.06 0.31 0.11 0.45 -1.00 0.00 0.00 179.01 178.82 2wkj h HIS 118 N 0.48 0.20 -0.62 4.33 3.86 -0.65 -1.02 115.15 121.72 2wkj h HIS 118 Ca 0.21 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2wkj h HIS 118 Cb 0.12 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 2wkj h HIS 118 CO -0.10 0.06 0.38 0.00 0.86 0.00 0.00 177.93 179.13 2wkj h ASP 120 N 0.84 0.43 0.13 0.00 3.32 -0.88 -0.73 116.42 119.54 2wkj h ASP 120 Ca 0.22 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2wkj h ASP 120 Cb -0.02 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2wkj h ASP 120 CO -0.04 0.67 -0.07 -0.74 -1.72 0.00 0.00 179.24 177.34 2wkj h HIS 121 N 0.38 -0.19 -0.75 4.55 2.76 -0.76 -1.23 115.15 119.92 2wkj h HIS 121 Ca 0.06 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2wkj h HIS 121 Cb 0.63 0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.62 2wkj h HIS 121 CO 0.02 -0.12 0.44 1.88 -1.30 0.00 0.00 177.93 178.85 2wkj h TYR 122 N -0.19 1.00 -0.82 5.26 0.05 -1.03 -2.18 116.97 119.07 2wkj h TYR 122 Ca -0.01 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2wkj h TYR 122 Cb 0.16 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 2wkj h TYR 122 CO -0.08 0.69 0.51 0.00 -1.05 0.00 0.00 178.16 178.23 2wkj h ARG 123 N 1.03 1.10 -0.58 4.88 3.08 -0.92 -0.13 114.38 122.84 2wkj h ARG 123 Ca 0.27 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 2wkj h ARG 123 Cb -0.01 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 2wkj h ARG 123 CO -0.05 0.76 0.22 0.00 -1.07 0.00 0.00 179.97 179.83 2wkj h ALA 124 N 1.28 0.75 -0.50 0.04 0.00 -1.05 -1.62 119.26 118.16 2wkj h ALA 124 Ca 0.30 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2wkj h ALA 124 Cb -0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2wkj h ALA 124 CO -0.06 0.38 -0.19 0.82 0.00 0.00 0.00 179.25 180.19 2wkj h ILE 125 N 0.80 1.27 -0.77 0.00 2.04 -1.01 -1.98 117.51 117.86 2wkj h ILE 125 Ca 0.19 -1.36 0.02 0.00 1.00 0.00 0.00 64.86 64.70 2wkj h ILE 125 Cb 0.22 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 2wkj h ILE 125 CO -0.01 0.47 0.50 0.40 0.00 0.00 0.00 178.15 179.52 2wkj h ILE 126 N 0.88 1.17 -0.47 -0.67 2.04 -0.89 -0.43 117.51 119.14 2wkj h ILE 126 Ca 0.12 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2wkj h ILE 126 Cb 0.78 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2wkj h ILE 126 CO 0.06 0.19 0.22 -0.78 0.00 0.00 0.00 178.15 177.84 2wkj h ASP 127 N 1.01 0.63 0.42 1.72 3.58 -1.03 -2.52 116.42 120.24 2wkj h ASP 127 Ca 0.29 -0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 2wkj h ASP 127 Cb -0.07 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 2wkj h ASP 127 CO -0.08 0.59 -0.29 0.28 -2.88 0.00 0.00 179.24 176.86 2wkj h SER 128 N 0.62 0.00 0.62 2.28 0.02 -0.82 -1.97 113.55 114.31 2wkj h SER 128 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2wkj h SER 128 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2wkj h SER 128 CO -0.02 0.29 0.00 0.00 -1.14 0.00 0.00 176.83 175.96 2wkj n ALA 129 N -2.40 1.68 -4.09 3.77 0.00 -0.22 -3.83 120.51 115.42 2wkj n ALA 129 Ca -0.02 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2wkj n ALA 129 Cb 0.36 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 2wkj n ALA 129 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wkj n ASP 130 N -1.84 -1.38 0.00 0.00 2.03 -0.74 -2.28 116.55 112.34 2wkj n ASP 130 Ca 0.03 -1.19 0.00 0.00 0.52 0.00 0.00 54.79 54.15 2wkj n ASP 130 Cb 0.20 -2.18 0.00 0.00 -0.72 0.00 0.00 41.12 38.42 2wkj n ASP 130 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wkj n GLY 131 N -2.21 2.48 3.71 0.27 0.00 -1.26 -5.08 105.19 103.10 2wkj n GLY 131 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2wkj n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wkj s LEU 132 N 0.00 4.35 0.71 0.99 1.43 -0.97 -4.99 118.68 120.20 2wkj s LEU 132 Ca 0.00 1.98 -0.16 0.00 -1.03 0.00 0.00 54.13 54.93 2wkj s LEU 132 Cb 0.00 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.67 2wkj s LEU 132 CO 0.00 -0.51 1.21 -2.16 0.23 0.00 0.00 176.35 175.12 2wkj s PRO 133 N 1.39 2.26 -0.17 1.29 0.04 -1.26 -4.57 135.00 133.98 2wkj s PRO 133 Ca 0.58 1.78 -0.08 0.00 0.04 0.00 0.00 61.00 63.32 2wkj s PRO 133 Cb -0.29 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2wkj s PRO 133 CO 0.28 -1.75 0.10 1.41 0.04 0.00 0.00 177.00 177.08 2wkj s MET 134 N -3.83 3.89 -0.43 4.56 1.75 -0.12 -0.99 119.30 124.13 2wkj s MET 134 Ca 0.75 -0.25 -0.12 0.00 -1.25 0.00 0.00 55.69 54.82 2wkj s MET 134 Cb -0.30 -3.27 0.07 0.00 2.84 0.00 0.00 34.83 34.18 2wkj s MET 134 CO 0.44 0.42 0.31 0.08 -0.65 0.00 0.00 175.02 175.62 2wkj s VAL 135 N -0.01 4.72 0.31 10.11 1.01 0.64 -0.76 120.40 136.42 2wkj s VAL 135 Ca 0.08 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.60 2wkj s VAL 135 Cb -0.12 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 2wkj s VAL 135 CO 0.00 -0.50 1.39 -0.69 0.00 0.00 0.00 175.10 175.30 2wkj s VAL 136 N 1.54 2.57 -0.22 2.92 1.01 -0.55 -2.89 120.40 124.77 2wkj s VAL 136 Ca 0.03 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.57 2wkj s VAL 136 Cb -0.23 -3.34 0.05 0.00 0.00 0.00 0.00 36.38 32.85 2wkj s VAL 136 CO 0.05 0.11 -0.12 -0.47 0.00 0.00 0.00 175.10 174.67 2wkj s TYR 137 N -0.77 2.85 -0.24 5.22 5.04 -1.04 -4.34 117.35 124.07 2wkj s TYR 137 Ca 0.53 -1.93 -0.04 0.00 -2.44 0.00 0.00 57.07 53.19 2wkj s TYR 137 Cb -0.42 -1.82 0.00 0.00 0.35 0.00 0.00 41.96 40.08 2wkj s TYR 137 CO 0.52 -0.82 -0.01 1.21 -1.34 0.00 0.00 175.55 175.11 2wkj s ASN 138 N 1.25 4.55 -0.41 4.32 3.04 -1.26 -2.38 114.94 124.04 2wkj s ASN 138 Ca -0.03 -0.55 0.06 0.00 0.04 0.00 0.00 52.86 52.38 2wkj s ASN 138 Cb -0.17 -1.77 0.21 0.00 -1.54 0.00 0.00 41.25 37.98 2wkj s ASN 138 CO -0.08 -0.08 0.47 0.00 -3.04 0.00 0.00 177.10 174.37 2wkj n ILE 139 N 4.80 -0.87 0.08 -5.21 3.06 -1.26 -0.58 119.36 119.37 2wkj n ILE 139 Ca -0.17 -3.50 0.14 0.00 -2.50 0.00 0.00 62.75 56.73 2wkj n ILE 139 Cb 0.49 -1.53 0.64 0.00 0.54 0.00 0.00 39.64 39.78 2wkj n ILE 139 CO 0.00 0.00 0.00 -0.65 -2.50 0.00 0.00 176.55 173.40 2wkj h PRO 140 N 4.76 0.07 -0.42 9.51 0.11 -1.79 -0.61 132.00 143.64 2wkj h PRO 140 Ca 0.15 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 2wkj h PRO 140 Cb 0.91 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 2wkj h PRO 140 CO 0.39 0.05 0.25 0.00 -0.21 0.00 0.00 178.00 178.49 2wkj h ALA 141 N 1.82 1.65 0.00 -0.75 0.00 -1.90 -2.58 119.26 117.50 2wkj h ALA 141 Ca 0.17 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.71 2wkj h ALA 141 Cb 0.57 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2wkj h ALA 141 CO -0.01 0.31 -2.18 1.28 0.00 0.00 0.00 179.25 178.64 2wkj n LEU 142 N -4.45 1.04 0.16 0.00 4.77 -0.96 -4.57 117.00 112.99 2wkj n LEU 142 Ca 0.03 -0.04 0.04 0.00 -0.03 0.00 0.00 56.01 56.01 2wkj n LEU 142 Cb 0.08 0.01 0.16 0.00 -2.33 0.00 0.00 43.42 41.33 2wkj n LEU 142 CO 0.36 0.57 0.57 0.77 -1.33 0.00 0.00 177.39 178.33 2wkj h SER 143 N 0.00 0.00 0.00 -1.43 4.64 -1.14 -3.47 113.55 112.15 2wkj h SER 143 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2wkj h SER 143 Cb 1.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.03 2wkj h SER 143 CO -0.01 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 2wkj n GLY 144 N 0.85 0.54 3.72 -0.77 0.00 -0.97 -4.20 105.19 104.35 2wkj n GLY 144 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2wkj n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wkj s VAL 145 N -2.50 5.15 -0.60 1.61 1.01 -1.26 -5.01 120.40 118.79 2wkj s VAL 145 Ca 0.00 1.06 0.06 0.00 0.00 0.00 0.00 61.98 63.11 2wkj s VAL 145 Cb 0.00 -3.87 0.25 0.00 0.00 0.00 0.00 36.38 32.77 2wkj s VAL 145 CO 0.00 0.31 0.72 0.29 0.00 0.00 0.00 175.10 176.42 2wkj n LYS 146 N 3.66 2.29 -1.98 2.72 5.02 -1.26 -4.48 118.16 124.13 2wkj n LYS 146 Ca -0.06 -4.47 -0.40 0.00 -2.02 0.00 0.00 58.31 51.36 2wkj n LYS 146 Cb 0.52 -2.11 -0.00 0.00 -0.02 0.00 0.00 35.03 33.41 2wkj n LYS 146 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wkj s LEU 147 N -2.32 4.23 0.79 -0.35 1.43 -1.26 -5.04 118.68 116.16 2wkj s LEU 147 Ca 0.39 2.76 -0.12 0.00 -1.03 0.00 0.00 54.13 56.14 2wkj s LEU 147 Cb 0.15 -3.86 0.07 0.00 0.03 0.00 0.00 46.19 42.59 2wkj s LEU 147 CO -0.03 -0.89 1.11 0.42 0.23 0.00 0.00 176.35 177.20 2wkj s THR 148 N -1.22 2.93 0.19 5.49 -4.23 -1.26 -4.87 115.64 112.67 2wkj s THR 148 Ca 0.56 0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 61.26 2wkj s THR 148 Cb -0.40 -3.13 0.10 0.00 1.34 0.00 0.00 72.50 70.41 2wkj s THR 148 CO 0.52 -0.40 1.80 0.25 -0.54 0.00 0.00 174.62 176.26 2wkj h LEU 149 N -1.04 0.44 -1.30 4.79 5.85 -1.99 -0.30 115.31 121.76 2wkj h LEU 149 Ca -0.47 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2wkj h LEU 149 Cb 1.28 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 2wkj h LEU 149 CO 0.61 0.30 0.44 0.44 -0.34 0.00 0.00 178.44 179.90 2wkj h ASP 150 N 0.58 0.80 -0.33 1.25 3.45 -1.99 0.45 116.42 120.63 2wkj h ASP 150 Ca 0.25 -0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.59 2wkj h ASP 150 Cb 0.14 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.70 2wkj h ASP 150 CO -0.16 0.59 -0.14 1.56 -1.57 0.00 0.00 179.24 179.52 2wkj h GLN 151 N 0.94 0.67 -0.66 3.56 4.20 -1.75 -1.95 115.11 120.12 2wkj h GLN 151 Ca 0.25 -0.29 0.05 0.00 0.06 0.00 0.00 58.65 58.72 2wkj h GLN 151 Cb -0.09 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 2wkj h GLN 151 CO -0.05 0.88 0.38 0.82 -0.67 0.00 0.00 178.83 180.19 2wkj h ILE 152 N 0.44 1.01 -0.65 2.54 2.04 -0.49 -0.87 117.51 121.53 2wkj h ILE 152 Ca 0.08 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2wkj h ILE 152 Cb 0.67 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2wkj h ILE 152 CO 0.04 0.13 0.43 0.78 0.00 0.00 0.00 178.15 179.53 2wkj h ASN 153 N 0.72 0.75 -0.43 1.72 2.35 -0.71 0.02 115.58 120.01 2wkj h ASN 153 Ca 0.29 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 2wkj h ASN 153 Cb 0.13 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2wkj h ASN 153 CO -0.16 0.55 0.18 0.74 -1.65 0.00 0.00 177.43 177.09 2wkj h THR 154 N 0.88 1.20 -0.28 2.81 2.02 -1.00 -2.84 112.91 115.70 2wkj h THR 154 Ca 0.24 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2wkj h THR 154 Cb -0.09 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2wkj h THR 154 CO -0.05 0.22 0.18 -0.07 0.37 0.00 0.00 175.52 176.17 2wkj h LEU 155 N 0.55 0.33 0.00 2.58 3.38 -0.70 -2.82 115.31 118.62 2wkj h LEU 155 Ca 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wkj h LEU 155 Cb 0.18 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2wkj h LEU 155 CO -0.01 0.26 0.00 1.33 0.09 0.00 0.00 178.44 180.11 2wkj n VAL 156 N -4.88 0.07 -0.14 1.22 0.24 -0.05 -2.28 118.33 112.52 2wkj n VAL 156 Ca -0.02 0.02 0.06 0.00 -2.04 0.00 0.00 64.34 62.36 2wkj n VAL 156 Cb 0.04 -0.57 0.16 0.00 -1.47 0.00 0.00 33.84 31.99 2wkj n VAL 156 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2wkj n THR 157 N -1.19 0.93 -1.82 3.34 -2.24 -1.08 -4.78 114.28 107.44 2wkj n THR 157 Ca 0.16 -0.96 -0.39 0.00 -2.27 0.00 0.00 64.05 60.59 2wkj n THR 157 Cb 0.18 0.55 0.03 0.00 -2.10 0.00 0.00 70.33 68.99 2wkj n THR 157 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wkj s LEU 158 N -1.00 3.92 0.22 3.22 1.43 -0.97 -4.90 118.68 120.61 2wkj s LEU 158 Ca 0.24 2.76 -0.32 0.00 -1.03 0.00 0.00 54.13 55.78 2wkj s LEU 158 Cb 0.13 -4.20 -0.13 0.00 0.03 0.00 0.00 46.19 42.01 2wkj s LEU 158 CO 0.17 -1.44 1.52 -2.65 0.23 0.00 0.00 176.35 174.18 2wkj n PRO 159 N -0.82 2.26 0.00 1.29 -0.02 -1.26 -1.82 135.00 134.63 2wkj n PRO 159 Ca 0.09 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2wkj n PRO 159 Cb 0.45 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2wkj n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wkj n GLY 160 N 2.69 1.16 3.68 -1.23 0.00 -1.26 -5.01 105.19 105.22 2wkj n GLY 160 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2wkj n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wkj s VAL 161 N -2.34 4.82 -0.17 1.61 1.01 -0.76 -0.94 120.40 123.63 2wkj s VAL 161 Ca 0.00 1.88 0.02 0.00 0.00 0.00 0.00 61.98 63.87 2wkj s VAL 161 Cb 0.00 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.16 2wkj s VAL 161 CO 0.00 0.01 0.69 0.61 0.00 0.00 0.00 175.10 176.41 2wkj n GLY 162 N 3.24 -0.06 3.59 4.51 0.00 0.06 -4.54 105.19 111.99 2wkj n GLY 162 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 2wkj n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkj s ALA 163 N -0.39 -1.95 0.00 4.61 0.00 -1.15 -3.95 121.76 118.93 2wkj s ALA 163 Ca 0.02 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2wkj s ALA 163 Cb 0.01 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.38 2wkj s ALA 163 CO 0.02 -0.76 0.00 -0.11 0.00 0.00 0.00 175.76 174.91 2wkj n LEU 164 N -0.25 0.00 0.00 0.00 7.94 -0.37 -1.48 117.00 122.83 2wkj n LEU 164 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 2wkj n LEU 164 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 2wkj n LEU 164 CO 0.11 0.00 0.00 1.67 -1.11 0.00 0.00 177.39 178.06 2wkj n GLN 166 N 0.00 0.00 -2.91 1.96 -0.06 -0.13 -0.80 117.38 115.44 2wkj n GLN 166 Ca 0.00 0.00 -0.44 0.00 -2.00 0.00 0.00 57.00 54.56 2wkj n GLN 166 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2wkj n GLN 166 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 2wkj n THR 167 N 0.00 4.36 -3.78 1.69 -1.04 0.25 -1.59 114.28 114.17 2wkj n THR 167 Ca 0.00 -4.82 -0.13 0.00 -2.04 0.00 0.00 64.05 57.06 2wkj n THR 167 Cb 0.00 -2.45 -0.11 0.00 -1.82 0.00 0.00 70.33 65.95 2wkj n THR 167 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2wkj s SER 168 N 2.08 -0.26 0.00 8.00 0.15 -1.26 -4.11 113.70 118.29 2wkj s SER 168 Ca 0.40 0.48 0.12 0.00 0.70 0.00 0.00 55.95 57.65 2wkj s SER 168 Cb -0.01 0.52 0.38 0.00 -1.71 0.00 0.00 66.02 65.19 2wkj s SER 168 CO -0.00 -0.12 1.30 0.61 1.20 0.00 0.00 173.24 176.22 2wkj n GLY 169 N 2.78 0.52 3.48 9.45 0.00 -1.26 -4.78 105.19 115.38 2wkj n GLY 169 Ca -0.14 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 2wkj n GLY 169 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wkj s ASP 170 N -1.10 6.38 0.00 1.61 -1.08 -1.26 -4.85 116.67 116.37 2wkj s ASP 170 Ca 0.24 -1.37 0.28 0.00 -0.52 0.00 0.00 52.55 51.18 2wkj s ASP 170 Cb 0.13 -2.45 1.14 0.00 -1.46 0.00 0.00 42.92 40.28 2wkj s ASP 170 CO 0.17 -1.36 1.82 0.18 0.52 0.00 0.00 175.17 176.50 2wkj n LEU 171 N 7.64 0.36 0.00 -1.34 4.77 -1.26 -1.77 117.00 125.40 2wkj n LEU 171 Ca 0.12 0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 2wkj n LEU 171 Cb 0.48 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 2wkj n LEU 171 CO 0.60 0.07 0.64 0.22 -1.33 0.00 0.00 177.39 177.59 2wkj h TYR 172 N 0.35 -0.03 -0.97 -1.77 3.20 -1.98 -2.70 116.97 113.08 2wkj h TYR 172 Ca 0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2wkj h TYR 172 Cb 0.40 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 2wkj h TYR 172 CO 0.00 0.42 0.63 0.37 -1.64 0.00 0.00 178.16 177.94 2wkj h GLN 173 N -0.48 1.28 -0.47 1.82 4.15 -1.92 -0.51 115.11 118.97 2wkj h GLN 173 Ca -0.00 -0.08 0.08 0.00 0.77 0.00 0.00 58.65 59.41 2wkj h GLN 173 Cb 0.46 -0.28 -0.06 0.00 0.21 0.00 0.00 27.48 27.80 2wkj h GLN 173 CO 0.00 0.85 0.10 1.98 -1.93 0.00 0.00 178.83 179.84 2wkj h MET 174 N 1.31 0.23 -0.75 1.69 4.05 -1.36 0.25 114.93 120.35 2wkj h MET 174 Ca 0.35 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.70 2wkj h MET 174 Cb -0.14 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.58 2wkj h MET 174 CO -0.07 0.15 0.23 1.49 0.23 0.00 0.00 176.91 178.94 2wkj h GLU 175 N 0.24 1.17 -0.68 0.39 4.22 -1.06 -2.10 114.58 116.76 2wkj h GLU 175 Ca 0.23 -0.26 -0.07 0.00 0.08 0.00 0.00 59.36 59.35 2wkj h GLU 175 Cb 0.30 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2wkj h GLU 175 CO -0.30 1.00 0.14 1.96 -2.18 0.00 0.00 179.01 179.63 2wkj h GLN 176 N 1.12 1.09 -0.25 1.92 4.20 -0.42 0.16 115.11 122.93 2wkj h GLN 176 Ca 0.24 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2wkj h GLN 176 Cb 0.32 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2wkj h GLN 176 CO -0.01 0.98 0.09 0.82 -0.67 0.00 0.00 178.83 180.04 2wkj h ILE 177 N 1.03 1.19 -0.66 2.54 2.04 -0.81 -1.61 117.51 121.23 2wkj h ILE 177 Ca 0.21 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.52 2wkj h ILE 177 Cb 0.39 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 2wkj h ILE 177 CO 0.01 0.19 0.41 -0.09 0.00 0.00 0.00 178.15 178.67 2wkj h ARG 178 N 0.24 0.79 -0.89 2.37 9.65 -1.06 -0.74 114.38 124.73 2wkj h ARG 178 Ca 0.08 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 2wkj h ARG 178 Cb 0.21 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.57 2wkj h ARG 178 CO -0.00 0.52 0.48 -0.09 2.80 0.00 0.00 179.97 183.68 2wkj h ARG 179 N 0.81 1.25 -0.04 0.20 2.43 -0.78 -2.63 114.38 115.62 2wkj h ARG 179 Ca 0.27 -0.15 -0.17 0.00 -0.81 0.00 0.00 59.98 59.11 2wkj h ARG 179 Cb 0.02 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 2wkj h ARG 179 CO -0.10 0.92 -0.73 1.49 -1.51 0.00 0.00 179.97 180.04 2wkj h GLU 180 N 1.25 0.25 -2.59 0.20 4.57 -0.95 -3.39 114.58 113.92 2wkj h GLU 180 Ca 0.31 -0.21 -0.60 0.00 -1.18 0.00 0.00 59.36 57.68 2wkj h GLU 180 Cb 0.04 0.05 -0.40 0.00 -0.16 0.00 0.00 28.75 28.28 2wkj h GLU 180 CO -0.05 0.87 -0.76 0.72 -1.18 0.00 0.00 179.01 178.61 2wkj n HIS 181 N -3.79 1.63 0.28 0.92 8.25 -0.31 -4.96 115.22 117.24 2wkj n HIS 181 Ca -0.03 -3.90 0.18 0.00 -0.26 0.00 0.00 57.72 53.72 2wkj n HIS 181 Cb 0.70 -0.31 0.95 0.00 1.12 0.00 0.00 29.99 32.46 2wkj n HIS 181 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2wkj h PRO 182 N 5.10 0.00 -0.02 -0.41 0.13 -1.73 -2.38 132.00 132.69 2wkj h PRO 182 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2wkj h PRO 182 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2wkj h PRO 182 CO 0.60 0.00 -0.04 -0.25 -0.23 0.00 0.00 178.00 178.08 2wkj n ASP 183 N -3.41 2.14 -4.74 1.44 8.00 -1.26 -5.00 116.55 113.73 2wkj n ASP 183 Ca -0.01 -1.57 -0.41 0.00 0.71 0.00 0.00 54.79 53.51 2wkj n ASP 183 Cb 0.24 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 2wkj n ASP 183 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2wkj s LEU 184 N -1.32 4.42 -0.06 0.64 2.96 -0.90 -4.34 118.68 120.09 2wkj s LEU 184 Ca 0.17 2.35 -0.30 0.00 -0.22 0.00 0.00 54.13 56.13 2wkj s LEU 184 Cb 0.12 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.16 2wkj s LEU 184 CO 0.21 -0.49 1.45 -0.69 -1.32 0.00 0.00 176.35 175.51 2wkj s VAL 185 N 0.08 3.80 -0.28 1.68 1.01 -1.25 -4.90 120.40 120.54 2wkj s VAL 185 Ca 0.56 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.60 2wkj s VAL 185 Cb -0.35 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.42 2wkj s VAL 185 CO 0.38 -0.05 0.06 -0.22 0.00 0.00 0.00 175.10 175.27 2wkj s LEU 186 N 3.17 2.13 -0.22 3.92 2.96 -1.26 -1.24 118.68 128.14 2wkj s LEU 186 Ca 0.65 -1.43 -0.17 0.00 -0.22 0.00 0.00 54.13 52.96 2wkj s LEU 186 Cb -0.30 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 2wkj s LEU 186 CO 0.25 -0.37 0.47 -0.31 -1.32 0.00 0.00 176.35 175.06 2wkj s TYR 187 N 1.62 3.34 0.09 5.38 2.02 0.02 -1.33 117.35 128.49 2wkj s TYR 187 Ca 0.06 0.66 -0.31 0.00 -0.37 0.00 0.00 57.07 57.11 2wkj s TYR 187 Cb -0.17 -2.63 -0.08 0.00 -0.40 0.00 0.00 41.96 38.68 2wkj s TYR 187 CO -0.19 -0.12 1.42 1.21 -1.57 0.00 0.00 175.55 176.30 2wkj s ASN 188 N 1.25 6.80 -0.12 2.29 2.47 -0.27 -0.95 114.94 126.41 2wkj s ASN 188 Ca 0.21 2.31 0.20 0.00 0.42 0.00 0.00 52.86 56.00 2wkj s ASN 188 Cb -0.15 -2.58 -0.29 0.00 -1.45 0.00 0.00 41.25 36.78 2wkj s ASN 188 CO 0.09 -0.69 0.26 0.61 -3.72 0.00 0.00 177.10 173.66 2wkj n GLY 189 N 3.57 -1.00 3.48 1.21 0.00 -0.62 -2.13 105.19 109.68 2wkj n GLY 189 Ca 0.12 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2wkj n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wkj s TYR 190 N -2.95 3.12 0.40 1.61 2.02 -1.26 -4.75 117.35 115.54 2wkj s TYR 190 Ca -0.09 -0.37 0.07 0.00 -0.37 0.00 0.00 57.07 56.31 2wkj s TYR 190 Cb 0.10 -3.18 0.83 0.00 -0.40 0.00 0.00 41.96 39.30 2wkj s TYR 190 CO 0.86 -0.83 2.04 -0.44 -1.57 0.00 0.00 175.55 175.62 2wkj h ASP 191 N 8.83 0.52 0.00 2.29 5.19 -1.89 -1.96 116.42 129.39 2wkj h ASP 191 Ca -0.26 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2wkj h ASP 191 Cb 1.10 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.49 2wkj h ASP 191 CO 0.87 0.37 0.00 -0.46 -3.12 0.00 0.00 179.24 176.89 2wkj n ASN 192 N -4.47 0.00 -0.17 6.45 0.23 -1.26 -2.20 115.26 113.84 2wkj n ASN 192 Ca 0.04 -0.95 0.05 0.00 -0.53 0.00 0.00 54.58 53.19 2wkj n ASN 192 Cb 0.08 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 37.85 2wkj n ASN 192 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2wkj n ILE 193 N -0.90 1.04 -0.16 1.53 -5.35 -0.74 -4.94 119.36 109.85 2wkj n ILE 193 Ca 0.15 -1.22 -0.05 0.00 -0.27 0.00 0.00 62.75 61.36 2wkj n ILE 193 Cb 0.07 0.21 0.01 0.00 -1.74 0.00 0.00 39.64 38.19 2wkj n ILE 193 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 2wkj h PHE 194 N 0.00 -0.71 -0.27 4.28 3.57 -1.41 0.23 116.94 122.63 2wkj h PHE 194 Ca 0.00 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2wkj h PHE 194 Cb 1.02 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 2wkj h PHE 194 CO 0.03 -0.34 0.15 0.00 -2.23 0.00 0.00 178.31 175.92 2wkj h ALA 195 N 1.09 0.34 -0.59 2.41 0.00 -1.92 0.03 119.26 120.62 2wkj h ALA 195 Ca 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2wkj h ALA 195 Cb 0.51 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2wkj h ALA 195 CO -0.59 -0.14 0.29 0.77 0.00 0.00 0.00 179.25 179.57 2wkj h SER 196 N 0.32 0.74 -0.23 0.00 0.02 -1.75 -1.32 113.55 111.33 2wkj h SER 196 Ca 0.09 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2wkj h SER 196 Cb 0.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2wkj h SER 196 CO -0.02 0.62 0.07 1.23 -1.14 0.00 0.00 176.83 177.60 2wkj h GLY 197 N 0.91 0.38 0.70 -3.77 0.00 0.12 -1.37 103.07 100.05 2wkj h GLY 197 Ca 0.21 -0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.36 2wkj h GLY 197 CO -0.03 0.21 0.28 1.41 0.00 0.00 0.00 176.54 178.41 2wkj h LEU 198 N 0.20 0.39 -1.23 3.11 3.38 -0.83 -1.23 115.31 119.11 2wkj h LEU 198 Ca 0.07 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2wkj h LEU 198 Cb 0.23 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2wkj h LEU 198 CO -0.00 0.27 0.22 0.25 0.09 0.00 0.00 178.44 179.26 2wkj h LEU 199 N 0.53 0.68 -1.32 1.67 5.85 -1.07 -1.36 115.31 120.28 2wkj h LEU 199 Ca 0.24 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2wkj h LEU 199 Cb 0.15 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2wkj h LEU 199 CO -0.17 0.61 -0.21 0.00 -0.34 0.00 0.00 178.44 178.33 2wkj h ALA 200 N 1.50 1.09 0.00 1.25 0.00 -0.86 -3.47 119.26 118.76 2wkj h ALA 200 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wkj h ALA 200 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2wkj h ALA 200 CO -0.02 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2wkj n GLY 201 N -0.07 0.27 3.73 0.00 0.00 -0.51 -3.42 105.19 105.18 2wkj n GLY 201 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2wkj n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkj s ALA 202 N 0.00 2.34 -0.14 4.61 0.00 -0.54 -4.86 121.76 123.17 2wkj s ALA 202 Ca 0.00 1.12 0.14 0.00 0.00 0.00 0.00 51.96 53.22 2wkj s ALA 202 Cb 0.00 -3.52 0.26 0.00 0.00 0.00 0.00 23.12 19.86 2wkj s ALA 202 CO 0.00 -1.60 1.16 -0.40 0.00 0.00 0.00 175.76 174.92 2wkj n ASP 203 N -2.03 2.51 0.00 0.00 5.68 -0.44 -4.37 116.55 117.91 2wkj n ASP 203 Ca 0.15 -2.81 0.00 0.00 -0.50 0.00 0.00 54.79 51.63 2wkj n ASP 203 Cb 0.49 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 2wkj n ASP 203 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wkj n GLY 204 N -1.04 -0.76 3.63 6.12 0.00 -1.21 -4.15 105.19 107.78 2wkj n GLY 204 Ca 0.13 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 2wkj n GLY 204 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wkj s GLY 205 N 0.00 -0.36 -0.06 -0.02 0.00 -0.35 -1.11 107.32 105.42 2wkj s GLY 205 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.88 2wkj s GLY 205 CO 0.00 0.05 -0.08 -0.42 0.00 0.00 0.00 173.10 172.65 2wkj s ILE 206 N -3.77 0.84 -0.08 0.90 1.01 -0.91 -1.28 121.20 117.91 2wkj s ILE 206 Ca 0.06 -0.29 -0.27 0.00 0.00 0.00 0.00 60.65 60.15 2wkj s ILE 206 Cb -0.03 -0.81 0.06 0.00 0.01 0.00 0.00 42.46 41.69 2wkj s ILE 206 CO -0.03 0.29 0.62 -0.83 0.00 0.00 0.00 174.94 174.99 2wkj s GLY 207 N 0.86 -0.50 0.19 6.18 0.00 -1.10 -4.36 107.32 108.59 2wkj s GLY 207 Ca -0.12 1.28 -0.10 0.00 0.00 0.00 0.00 44.72 45.79 2wkj s GLY 207 CO 0.01 0.97 1.76 1.48 0.00 0.00 0.00 173.10 177.32 2wkj h SER 208 N 3.55 0.93 0.58 1.64 4.64 -1.89 -1.23 113.55 121.78 2wkj h SER 208 Ca -0.28 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2wkj h SER 208 Cb 1.15 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2wkj h SER 208 CO 0.33 0.83 0.00 0.35 -0.87 0.00 0.00 176.83 177.47 2wkj n THR 209 N -4.40 0.69 0.30 2.95 -2.24 -1.26 -2.57 114.28 107.74 2wkj n THR 209 Ca 0.05 0.17 0.19 0.00 -2.27 0.00 0.00 64.05 62.19 2wkj n THR 209 Cb 0.16 -0.86 0.84 0.00 -2.10 0.00 0.00 70.33 68.37 2wkj n THR 209 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2wkj h TYR 210 N 0.00 0.00 -0.41 4.78 -1.99 -1.85 -1.75 116.97 115.75 2wkj h TYR 210 Ca 0.00 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.77 2wkj h TYR 210 Cb 0.29 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 2wkj h TYR 210 CO 0.00 0.00 0.27 -0.91 -0.00 0.00 0.00 178.16 177.52 2wkj h ASN 211 N 0.00 0.36 0.00 3.88 2.35 -1.70 -1.42 115.58 119.04 2wkj h ASN 211 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2wkj h ASN 211 Cb 0.37 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2wkj h ASN 211 CO 0.00 0.25 -1.63 2.30 -1.65 0.00 0.00 177.43 176.69 2wkj n ILE 212 N -4.48 0.00 -2.47 2.81 -5.35 -0.72 -4.79 119.36 104.35 2wkj n ILE 212 Ca 0.04 -0.33 -0.02 0.00 -0.27 0.00 0.00 62.75 62.18 2wkj n ILE 212 Cb 0.17 0.19 0.03 0.00 -1.74 0.00 0.00 39.64 38.30 2wkj n ILE 212 CO 0.00 0.00 0.00 1.15 -1.76 0.00 0.00 176.55 175.94 2wkj n MET 213 N -1.98 0.75 -0.20 6.28 0.00 -0.81 -4.95 117.12 116.21 2wkj n MET 213 Ca -0.02 -1.79 0.20 0.00 0.00 0.00 0.00 57.70 56.09 2wkj n MET 213 Cb 0.37 -0.06 0.56 0.00 0.00 0.00 0.00 33.22 34.09 2wkj n MET 213 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2wkj h GLY 214 N 1.04 0.64 2.00 3.17 0.00 -1.42 -0.31 103.07 108.19 2wkj h GLY 214 Ca -0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 2wkj h GLY 214 CO -0.08 0.01 -0.05 0.11 0.00 0.00 0.00 176.54 176.52 2wkj h TRP 215 N 0.31 0.00 -0.54 5.60 0.09 -1.85 -1.75 115.95 117.81 2wkj h TRP 215 Ca 0.43 0.00 -0.12 0.00 0.09 0.00 0.00 58.89 59.29 2wkj h TRP 215 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 30.42 2wkj h TRP 215 CO -0.00 0.05 -0.12 0.00 0.09 0.00 0.00 178.44 178.46 2wkj h ARG 216 N 0.00 1.03 -0.43 0.12 3.08 -1.46 0.01 114.38 116.73 2wkj h ARG 216 Ca -0.00 -0.39 -0.07 0.00 0.07 0.00 0.00 59.98 59.59 2wkj h ARG 216 Cb 0.34 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2wkj h ARG 216 CO 0.01 1.08 -0.01 1.88 -1.07 0.00 0.00 179.97 181.86 2wkj h TYR 217 N 0.91 0.83 -0.75 3.04 0.05 -1.44 -0.28 116.97 119.33 2wkj h TYR 217 Ca 0.14 -0.15 0.05 0.00 0.05 0.00 0.00 58.73 58.82 2wkj h TYR 217 Cb 0.70 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 38.18 2wkj h TYR 217 CO 0.05 0.83 0.49 1.96 -1.05 0.00 0.00 178.16 180.44 2wkj h GLN 218 N 0.59 0.83 -0.74 4.88 4.20 -1.30 -1.54 115.11 122.03 2wkj h GLN 218 Ca 0.12 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 2wkj h GLN 218 Cb 0.50 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 2wkj h GLN 218 CO 0.02 0.55 0.26 0.78 -0.67 0.00 0.00 178.83 179.78 2wkj h GLY 219 N 0.86 1.21 1.00 3.46 0.00 -0.27 -1.94 103.07 107.37 2wkj h GLY 219 Ca 0.31 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2wkj h GLY 219 CO -0.10 0.64 0.30 -2.22 0.00 0.00 0.00 176.54 175.15 2wkj h ILE 220 N 1.09 1.22 -0.23 2.60 2.04 -0.38 -0.36 117.51 123.48 2wkj h ILE 220 Ca 0.24 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.53 2wkj h ILE 220 Cb 0.25 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2wkj h ILE 220 CO -0.01 0.25 0.01 0.58 0.00 0.00 0.00 178.15 178.97 2wkj h VAL 221 N 0.85 0.85 -0.37 1.67 2.07 -1.03 -1.01 116.25 119.27 2wkj h VAL 221 Ca 0.21 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 2wkj h VAL 221 Cb 0.12 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2wkj h VAL 221 CO -0.03 0.02 0.18 0.50 0.02 0.00 0.00 177.57 178.26 2wkj h LYS 222 N 0.08 0.53 -0.44 1.57 3.64 -1.22 -1.19 116.57 119.55 2wkj h LYS 222 Ca 0.11 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2wkj h LYS 222 Cb 0.13 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2wkj h LYS 222 CO -0.17 0.47 0.21 0.00 -2.27 0.00 0.00 179.45 177.69 2wkj h ALA 223 N 1.03 0.56 -0.64 5.00 0.00 -0.85 -0.72 119.26 123.65 2wkj h ALA 223 Ca 0.13 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2wkj h ALA 223 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2wkj h ALA 223 CO -0.02 0.13 0.07 -0.07 0.00 0.00 0.00 179.25 179.36 2wkj h LEU 224 N 0.56 1.04 -1.60 0.00 3.38 -1.09 0.18 115.31 117.79 2wkj h LEU 224 Ca 0.15 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2wkj h LEU 224 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2wkj h LEU 224 CO -0.02 1.05 0.29 0.50 0.09 0.00 0.00 178.44 180.35 2wkj h LYS 225 N 1.00 0.53 -0.01 1.13 3.64 -0.80 -2.39 116.57 119.66 2wkj h LYS 225 Ca 0.19 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2wkj h LYS 225 Cb 0.47 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2wkj h LYS 225 CO 0.02 0.35 -0.11 0.39 -2.27 0.00 0.00 179.45 177.82 2wkj n GLU 226 N -4.47 1.48 -1.24 1.90 1.02 -0.31 -4.94 120.64 114.07 2wkj n GLU 226 Ca 0.04 -0.96 -0.02 0.00 -0.02 0.00 0.00 57.16 56.20 2wkj n GLU 226 Cb 0.09 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.03 2wkj n GLU 226 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wkj n GLY 227 N 1.27 0.47 3.34 0.62 0.00 -0.59 -4.98 105.19 105.33 2wkj n GLY 227 Ca 0.16 -0.97 -0.45 0.00 0.00 0.00 0.00 46.02 44.75 2wkj n GLY 227 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wkj s ASP 228 N -2.97 7.32 0.22 1.61 -1.08 -0.05 -4.87 116.67 116.85 2wkj s ASP 228 Ca 0.00 -3.60 -0.05 0.00 -0.52 0.00 0.00 52.55 48.38 2wkj s ASP 228 Cb 0.00 -2.21 0.20 0.00 -1.46 0.00 0.00 42.92 39.45 2wkj s ASP 228 CO 0.00 -0.29 1.67 0.40 0.52 0.00 0.00 175.17 177.48 2wkj h ILE 229 N 3.66 1.26 -0.27 4.11 2.04 -1.94 -2.66 117.51 123.71 2wkj h ILE 229 Ca 0.18 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 2wkj h ILE 229 Cb 0.87 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2wkj h ILE 229 CO 1.01 0.41 0.16 -0.61 0.00 0.00 0.00 178.15 179.13 2wkj h GLN 230 N 0.78 0.37 -0.90 2.37 5.75 -1.96 -0.13 115.11 121.39 2wkj h GLN 230 Ca 0.13 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 2wkj h GLN 230 Cb 0.60 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.03 2wkj h GLN 230 CO 0.04 0.30 0.58 1.15 -2.65 0.00 0.00 178.83 178.25 2wkj h THR 231 N 0.34 1.24 -0.25 2.39 2.02 -1.93 -0.65 112.91 116.07 2wkj h THR 231 Ca 0.10 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 2wkj h THR 231 Cb 0.03 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.35 2wkj h THR 231 CO -0.02 0.23 0.08 0.00 0.37 0.00 0.00 175.52 176.18 2wkj h ALA 232 N 1.32 0.33 -0.53 6.16 0.00 -1.06 -1.96 119.26 123.52 2wkj h ALA 232 Ca 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2wkj h ALA 232 Cb -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2wkj h ALA 232 CO -0.07 -0.04 0.27 1.96 0.00 0.00 0.00 179.25 181.38 2wkj h GLN 233 N 0.24 0.75 -0.85 0.00 4.20 -0.71 -0.71 115.11 118.03 2wkj h GLN 233 Ca 0.08 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2wkj h GLN 233 Cb 0.24 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 2wkj h GLN 233 CO -0.00 0.60 0.45 -0.22 -0.67 0.00 0.00 178.83 178.99 2wkj h LYS 234 N 0.71 1.20 -0.26 1.46 3.11 -1.00 0.12 116.57 121.91 2wkj h LYS 234 Ca 0.18 -0.15 -0.03 0.00 -2.81 0.00 0.00 60.65 57.85 2wkj h LYS 234 Cb 0.08 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.07 2wkj h LYS 234 CO -0.03 0.89 0.06 -0.07 -2.81 0.00 0.00 179.45 177.49 2wkj h LEU 235 N 1.20 0.40 -1.12 5.20 3.38 -1.16 -1.50 115.31 121.70 2wkj h LEU 235 Ca 0.30 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wkj h LEU 235 Cb 0.05 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2wkj h LEU 235 CO -0.05 0.53 0.53 -0.61 0.09 0.00 0.00 178.44 178.94 2wkj h GLN 236 N 0.25 1.12 -0.66 1.13 5.75 -0.73 -0.69 115.11 121.27 2wkj h GLN 236 Ca 0.08 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2wkj h GLN 236 Cb 0.29 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 2wkj h GLN 236 CO 0.00 0.77 0.40 1.15 -2.65 0.00 0.00 178.83 178.49 2wkj h THR 237 N 1.15 1.19 -0.55 2.39 2.02 -0.51 -0.14 112.91 118.46 2wkj h THR 237 Ca 0.30 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 2wkj h THR 237 Cb -0.09 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 2wkj h THR 237 CO -0.06 0.20 0.00 -0.33 0.37 0.00 0.00 175.52 175.70 2wkj h GLU 238 N 0.90 0.95 -0.44 6.66 4.39 -0.65 -1.29 114.58 125.10 2wkj h GLU 238 Ca 0.24 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2wkj h GLU 238 Cb -0.02 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 2wkj h GLU 238 CO -0.04 0.94 0.24 0.00 -1.16 0.00 0.00 179.01 178.99 2wkj h ASN 240 N 0.58 0.00 -0.93 0.00 -0.26 -0.62 0.52 115.58 114.86 2wkj h ASN 240 Ca 0.16 0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.95 2wkj h ASN 240 Cb 0.05 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.25 2wkj h ASN 240 CO -0.02 0.46 0.60 0.11 -1.06 0.00 0.00 177.43 177.51 2wkj h LYS 241 N 0.00 1.09 -0.25 0.81 1.57 -1.14 0.38 116.57 119.03 2wkj h LYS 241 Ca -0.00 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 2wkj h LYS 241 Cb 0.82 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2wkj h LYS 241 CO 0.06 0.72 -0.22 0.28 -0.57 0.00 0.00 179.45 179.72 2wkj h VAL 242 N 1.12 1.31 -0.56 0.50 2.07 -1.24 -3.07 116.25 116.39 2wkj h VAL 242 Ca 0.39 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 2wkj h VAL 242 Cb 0.10 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2wkj h VAL 242 CO -0.15 0.43 0.14 0.40 0.02 0.00 0.00 177.57 178.40 2wkj h ILE 243 N 0.30 1.23 -0.47 4.57 2.04 -0.53 -0.93 117.51 123.73 2wkj h ILE 243 Ca 0.04 -0.83 0.09 0.00 1.00 0.00 0.00 64.86 65.17 2wkj h ILE 243 Cb 0.77 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 37.43 2wkj h ILE 243 CO 0.06 0.31 -0.01 0.44 0.00 0.00 0.00 178.15 178.94 2wkj h ASP 244 N 0.82 -0.23 -0.21 1.72 3.32 -0.91 0.33 116.42 121.28 2wkj h ASP 244 Ca 0.18 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 2wkj h ASP 244 Cb 0.30 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2wkj h ASP 244 CO -0.00 -0.08 0.11 0.25 -1.72 0.00 0.00 179.24 177.81 2wkj h LEU 245 N 0.10 0.26 -1.24 1.55 5.85 -1.27 -2.57 115.31 117.98 2wkj h LEU 245 Ca 0.23 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 2wkj h LEU 245 Cb 0.35 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2wkj h LEU 245 CO -0.40 0.27 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.81 2wkj h LEU 246 N 0.23 0.40 -0.72 2.25 3.38 -0.66 0.11 115.31 120.30 2wkj h LEU 246 Ca 0.07 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2wkj h LEU 246 Cb 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2wkj h LEU 246 CO -0.01 0.53 0.12 0.40 0.09 0.00 0.00 178.44 179.57 2wkj h ILE 247 N 0.40 1.26 -0.26 1.22 2.04 -0.85 0.96 117.51 122.28 2wkj h ILE 247 Ca 0.08 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 2wkj h ILE 247 Cb 0.40 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2wkj h ILE 247 CO 0.02 0.38 0.09 0.11 0.00 0.00 0.00 178.15 178.76 2wkj h LYS 248 N 1.03 0.41 0.00 2.37 1.57 -0.87 -3.20 116.57 117.88 2wkj h LYS 248 Ca 0.21 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2wkj h LYS 248 Cb 0.42 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2wkj h LYS 248 CO 0.01 0.46 -0.26 1.79 -0.57 0.00 0.00 179.45 180.88 2wkj h THR 249 N 0.27 0.56 -0.04 -0.16 1.35 -0.63 -3.49 112.91 110.77 2wkj h THR 249 Ca 0.09 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 2wkj h THR 249 Cb 0.22 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2wkj h THR 249 CO -0.00 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 2wkj n GLY 250 N 0.43 1.12 0.16 5.82 0.00 0.28 -4.63 105.19 108.37 2wkj n GLY 250 Ca 0.01 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 2wkj n GLY 250 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wkj h VAL 251 N 0.00 0.83 -0.14 1.61 2.07 -1.68 -0.43 116.25 118.51 2wkj h VAL 251 Ca 0.00 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2wkj h VAL 251 Cb 0.00 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2wkj h VAL 251 CO 0.00 0.13 0.07 -0.26 0.02 0.00 0.00 177.57 177.53 2wkj h PHE 252 N -0.63 0.19 -0.13 1.57 0.04 -1.94 -0.27 116.94 115.77 2wkj h PHE 252 Ca -0.03 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.61 2wkj h PHE 252 Cb 0.45 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 2wkj h PHE 252 CO 0.02 0.21 -0.44 0.07 -0.60 0.00 0.00 178.31 177.57 2wkj h ARG 253 N 0.12 0.30 -0.48 1.51 0.11 -1.87 -0.69 114.38 113.38 2wkj h ARG 253 Ca 0.05 -0.16 -0.01 0.00 0.10 0.00 0.00 59.98 59.96 2wkj h ARG 253 Cb 0.08 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.14 2wkj h ARG 253 CO -0.01 0.69 0.26 0.78 0.10 0.00 0.00 179.97 181.79 2wkj h GLY 254 N 1.23 0.71 0.94 0.08 0.00 -0.81 0.85 103.07 106.08 2wkj h GLY 254 Ca 0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 2wkj h GLY 254 CO 0.07 0.31 -0.03 1.41 0.00 0.00 0.00 176.54 178.31 2wkj h LEU 255 N 0.63 0.68 -1.20 3.11 3.38 -0.76 -0.51 115.31 120.63 2wkj h LEU 255 Ca 0.17 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2wkj h LEU 255 Cb 0.06 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2wkj h LEU 255 CO -0.03 0.84 0.55 0.11 0.09 0.00 0.00 178.44 180.00 2wkj h LYS 256 N 0.50 1.02 -0.33 1.13 1.57 -0.90 -0.58 116.57 118.98 2wkj h LYS 256 Ca 0.10 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 2wkj h LYS 256 Cb 0.51 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2wkj h LYS 256 CO 0.02 0.68 -0.16 1.15 -0.57 0.00 0.00 179.45 180.57 2wkj h THR 257 N 1.05 1.29 -0.47 -0.16 2.02 -0.24 0.74 112.91 117.15 2wkj h THR 257 Ca 0.33 -1.27 0.06 0.00 0.77 0.00 0.00 66.41 66.30 2wkj h THR 257 Cb -0.00 1.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 2wkj h THR 257 CO -0.09 0.41 0.17 0.58 0.37 0.00 0.00 175.52 176.96 2wkj h VAL 258 N 0.45 0.86 -0.12 3.16 2.07 -0.85 -2.03 116.25 119.79 2wkj h VAL 258 Ca 0.07 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2wkj h VAL 258 Cb 0.69 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2wkj h VAL 258 CO 0.05 0.06 -0.15 -0.07 0.02 0.00 0.00 177.57 177.48 2wkj h LEU 259 N 0.35 0.18 -0.31 2.57 3.38 -0.83 -1.10 115.31 119.54 2wkj h LEU 259 Ca 0.22 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2wkj h LEU 259 Cb 0.21 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2wkj h LEU 259 CO -0.22 0.35 0.20 -0.74 0.09 0.00 0.00 178.44 178.12 2wkj h HIS 260 N 0.18 0.38 0.00 1.13 2.76 -0.27 0.50 115.15 119.83 2wkj h HIS 260 Ca 0.04 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2wkj h HIS 260 Cb 0.38 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2wkj h HIS 260 CO 0.00 0.23 0.00 0.66 -1.30 0.00 0.00 177.93 177.53 2wkj n TYR 261 N -4.88 0.86 1.09 5.26 4.01 -0.78 -1.13 117.16 121.59 2wkj n TYR 261 Ca -0.01 0.31 0.09 0.00 -0.16 0.00 0.00 57.90 58.13 2wkj n TYR 261 Cb 0.03 -1.00 0.30 0.00 -0.31 0.00 0.00 39.34 38.36 2wkj n TYR 261 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2wkj n MET 262 N -2.26 1.77 -2.59 -0.72 2.81 -0.49 -4.87 117.12 110.77 2wkj n MET 262 Ca 0.03 -1.17 -0.14 0.00 -1.81 0.00 0.00 57.70 54.61 2wkj n MET 262 Cb 0.29 -1.35 0.01 0.00 -0.71 0.00 0.00 33.22 31.46 2wkj n MET 262 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2wkj n ASP 263 N 0.41 -4.35 -0.06 7.83 8.00 -0.29 -4.93 116.55 123.16 2wkj n ASP 263 Ca 0.15 -0.13 -0.13 0.00 0.71 0.00 0.00 54.79 55.39 2wkj n ASP 263 Cb 0.32 -3.32 -0.05 0.00 -0.02 0.00 0.00 41.12 38.05 2wkj n ASP 263 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2wkj n VAL 264 N -4.04 0.72 -3.73 2.53 0.31 0.13 -4.98 118.33 109.27 2wkj n VAL 264 Ca -0.10 -0.20 -0.37 0.00 -0.01 0.00 0.00 64.34 63.66 2wkj n VAL 264 Cb 0.59 -1.50 -0.12 0.00 -0.91 0.00 0.00 33.84 31.89 2wkj n VAL 264 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2wkj s VAL 265 N -2.24 4.43 0.13 2.52 1.01 -1.12 -4.54 120.40 120.59 2wkj s VAL 265 Ca -0.18 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 2wkj s VAL 265 Cb 0.06 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 2wkj s VAL 265 CO 0.24 0.32 1.57 0.28 0.00 0.00 0.00 175.10 177.52 2wkj h SER 266 N 8.26 0.78 -3.28 3.32 0.02 -1.91 -3.33 113.55 117.40 2wkj h SER 266 Ca -0.38 -0.32 -0.51 0.00 -0.84 0.00 0.00 61.79 59.74 2wkj h SER 266 Cb 1.18 -0.21 -0.39 0.00 0.14 0.00 0.00 62.40 63.12 2wkj h SER 266 CO 0.58 0.91 -0.77 -0.69 -1.14 0.00 0.00 176.83 175.72 2wkj s VAL 267 N -4.95 0.62 -0.14 2.27 1.01 -1.26 -5.03 120.40 112.93 2wkj s VAL 267 Ca -0.13 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2wkj s VAL 267 Cb 0.11 -0.97 0.14 0.00 0.00 0.00 0.00 36.38 35.65 2wkj s VAL 267 CO 0.81 -0.02 1.65 -0.81 0.00 0.00 0.00 175.10 176.73 2wkj n PRO 268 N 5.03 1.37 -3.16 2.72 -0.04 -1.26 -4.43 135.00 135.23 2wkj n PRO 268 Ca -0.09 -0.78 -0.36 0.00 -0.04 0.00 0.00 63.50 62.23 2wkj n PRO 268 Cb 0.48 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 2wkj n PRO 268 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wkj s LEU 269 N -0.88 4.35 0.59 1.53 1.43 -1.26 -4.48 118.68 119.95 2wkj s LEU 269 Ca 0.15 1.34 -0.02 0.00 -1.03 0.00 0.00 54.13 54.57 2wkj s LEU 269 Cb 0.12 -3.50 0.03 0.00 0.03 0.00 0.00 46.19 42.87 2wkj s LEU 269 CO 0.01 0.05 0.85 0.00 0.23 0.00 0.00 176.35 177.49 2wkj s ARG 271 N -4.91 4.51 0.29 0.00 0.52 -1.26 -4.85 118.95 113.25 2wkj s ARG 271 Ca 0.57 1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 56.66 2wkj s ARG 271 Cb -0.10 -2.96 -0.13 0.00 0.52 0.00 0.00 34.95 32.28 2wkj s ARG 271 CO 0.41 0.39 1.37 1.63 0.02 0.00 0.00 175.30 179.12 2wkj n LYS 272 N 0.90 2.14 -0.10 3.54 4.76 -1.26 -1.36 118.16 126.78 2wkj n LYS 272 Ca -0.01 0.76 0.09 0.00 -2.87 0.00 0.00 58.31 56.28 2wkj n LYS 272 Cb 0.50 -2.39 0.32 0.00 -1.84 0.00 0.00 35.03 31.62 2wkj n LYS 272 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2wkj n PRO 273 N 1.31 1.71 -1.73 1.97 -0.04 -1.26 -5.07 135.00 131.90 2wkj n PRO 273 Ca 0.08 -1.08 -0.42 0.00 -0.04 0.00 0.00 63.50 62.03 2wkj n PRO 273 Cb 0.34 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 2wkj n PRO 273 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2wkj n PHE 274 N 0.32 2.73 -2.76 0.54 3.72 -0.46 -5.01 117.46 116.54 2wkj n PHE 274 Ca 0.15 0.24 -0.20 0.00 -0.05 0.00 0.00 57.45 57.59 2wkj n PHE 274 Cb 0.31 -2.59 0.09 0.00 -0.94 0.00 0.00 39.48 36.34 2wkj n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wkj n GLY 275 N 2.56 1.16 3.77 1.37 0.00 -1.26 -4.67 105.19 108.11 2wkj n GLY 275 Ca 0.11 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 2wkj n GLY 275 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wkj s PRO 276 N -4.68 2.14 0.28 1.61 0.04 -1.26 -4.74 135.00 128.39 2wkj s PRO 276 Ca 0.58 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 2wkj s PRO 276 Cb -0.04 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 2wkj s PRO 276 CO 0.38 -1.68 1.35 0.08 0.04 0.00 0.00 177.00 177.16 2wkj s VAL 277 N -2.95 2.79 0.15 -0.36 1.01 -1.26 -4.97 120.40 114.80 2wkj s VAL 277 Ca 0.61 0.72 -0.31 0.00 0.00 0.00 0.00 61.98 63.00 2wkj s VAL 277 Cb -0.17 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 2wkj s VAL 277 CO 0.56 0.14 1.67 -0.62 0.00 0.00 0.00 175.10 176.85 2wkj s ASP 278 N -0.09 6.51 0.62 3.32 -1.08 -1.26 -4.88 116.67 119.81 2wkj s ASP 278 Ca 0.53 2.67 0.33 0.00 -0.52 0.00 0.00 52.55 55.57 2wkj s ASP 278 Cb -0.40 -2.58 1.91 0.00 -1.46 0.00 0.00 42.92 40.39 2wkj s ASP 278 CO 0.47 -0.90 2.20 -0.33 0.52 0.00 0.00 175.17 177.13 2wkj h GLU 279 N 7.44 0.00 0.00 4.34 5.08 -2.02 -1.25 114.58 128.17 2wkj h GLU 279 Ca -0.43 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2wkj h GLU 279 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 2wkj h GLU 279 CO 0.93 0.00 -0.02 1.57 -1.00 0.00 0.00 179.01 180.49 2wkj h LYS 280 N 0.00 0.00 -0.00 2.33 2.10 -2.04 -1.98 116.57 116.98 2wkj h LYS 280 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2wkj h LYS 280 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 2wkj h LYS 280 CO -0.00 0.02 -0.33 0.66 -2.00 0.00 0.00 179.45 177.80 2wkj n TYR 281 N -3.25 0.00 -0.23 0.07 4.01 -0.47 -4.38 117.16 112.91 2wkj n TYR 281 Ca -0.02 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.67 2wkj n TYR 281 Cb 0.15 -0.20 0.11 0.00 -0.31 0.00 0.00 39.34 39.09 2wkj n TYR 281 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2wkj h LEU 282 N 0.56 0.99 -0.86 7.72 3.38 -1.51 -1.80 115.31 123.79 2wkj h LEU 282 Ca 0.00 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2wkj h LEU 282 Cb 0.49 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 2wkj h LEU 282 CO 0.00 0.91 0.53 -0.65 0.09 0.00 0.00 178.44 179.32 2wkj h PRO 283 N 1.03 0.95 -0.23 1.13 0.11 -1.79 0.14 132.00 133.35 2wkj h PRO 283 Ca 0.23 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 66.11 2wkj h PRO 283 Cb 0.26 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 2wkj h PRO 283 CO -0.01 0.63 -0.58 0.93 -0.21 0.00 0.00 178.00 178.76 2wkj h GLU 284 N 0.98 0.72 -0.46 1.05 5.08 -1.77 -1.51 114.58 118.67 2wkj h GLU 284 Ca 0.37 -0.47 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2wkj h GLU 284 Cb 0.16 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2wkj h GLU 284 CO -0.17 1.09 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.73 2wkj h LEU 285 N 0.54 0.86 -0.36 1.33 3.38 -0.88 -1.23 115.31 118.95 2wkj h LEU 285 Ca 0.00 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 2wkj h LEU 285 Cb 1.16 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2wkj h LEU 285 CO 0.12 1.00 0.03 0.50 0.09 0.00 0.00 178.44 180.18 2wkj h LYS 286 N 0.77 0.62 -0.89 1.13 3.64 -0.69 -1.73 116.57 119.42 2wkj h LYS 286 Ca 0.12 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2wkj h LYS 286 Cb 0.66 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 2wkj h LYS 286 CO 0.05 0.71 0.51 0.00 -2.27 0.00 0.00 179.45 178.45 2wkj h ALA 287 N 0.88 1.14 -0.52 5.00 0.00 -1.13 -1.64 119.26 123.00 2wkj h ALA 287 Ca 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2wkj h ALA 287 Cb 0.42 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2wkj h ALA 287 CO 0.01 0.63 0.22 1.25 0.00 0.00 0.00 179.25 181.36 2wkj h LEU 288 N 1.24 0.70 -0.29 0.00 5.85 -1.02 -0.24 115.31 121.54 2wkj h LEU 288 Ca 0.32 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2wkj h LEU 288 Cb -0.01 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 2wkj h LEU 288 CO -0.06 0.66 -0.02 0.00 -0.34 0.00 0.00 178.44 178.69 2wkj h ALA 289 N 1.07 0.24 -1.00 1.25 0.00 -1.00 -0.36 119.26 119.46 2wkj h ALA 289 Ca 0.17 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2wkj h ALA 289 Cb 0.17 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2wkj h ALA 289 CO -0.02 -0.43 0.65 1.96 0.00 0.00 0.00 179.25 181.42 2wkj h GLN 290 N 0.06 1.20 -0.15 0.00 4.20 -0.84 -1.58 115.11 118.00 2wkj h GLN 290 Ca 0.14 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 2wkj h GLN 290 Cb 0.20 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 2wkj h GLN 290 CO -0.25 0.79 -0.10 0.37 -0.67 0.00 0.00 178.83 178.97 2wkj h GLN 291 N 1.23 0.33 -0.33 1.46 4.15 -0.52 -2.93 115.11 118.51 2wkj h GLN 291 Ca 0.41 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.59 2wkj h GLN 291 Cb 0.05 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 2wkj h GLN 291 CO -0.14 0.68 -0.12 -0.07 -1.93 0.00 0.00 178.83 177.25 2wkj h LEU 292 N -0.01 0.55 -0.88 -2.39 3.38 -0.88 -0.68 115.31 114.40 2wkj h LEU 292 Ca 0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2wkj h LEU 292 Cb 0.59 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2wkj h LEU 292 CO 0.03 0.70 0.28 0.24 0.09 0.00 0.00 178.44 179.78 2wkj h MET 293 N 0.52 1.10 0.00 1.13 2.86 -1.27 0.12 114.93 119.39 2wkj h MET 293 Ca 0.09 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2wkj h MET 293 Cb 0.51 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2wkj h MET 293 CO 0.03 0.90 0.00 1.04 1.06 0.00 0.00 176.91 179.94 2wkj n GLN 294 N -4.28 0.21 -0.08 1.72 6.02 -0.95 -3.61 117.38 116.41 2wkj n GLN 294 Ca 0.07 0.21 -0.22 0.00 -0.01 0.00 0.00 57.00 57.04 2wkj n GLN 294 Cb 0.19 -1.76 -0.12 0.00 1.02 0.00 0.00 30.24 29.57 2wkj n GLN 294 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2wkj n GLU 295 N -2.13 0.63 0.00 -1.09 2.13 -0.30 -5.10 120.64 114.77 2wkj n GLU 295 Ca 0.05 0.45 0.15 0.00 0.66 0.00 0.00 57.16 58.47 2wkj n GLU 295 Cb 0.39 -1.71 0.82 0.00 0.27 0.00 0.00 31.44 31.22 2wkj n GLU 295 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26