#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 0.99 -0.33 4.41 -0.00 -1.95 -2.44 115.15 115.82 2wkj h HIS 0 Ca 0.00 -0.05 0.02 0.00 -0.00 0.00 0.00 60.37 60.34 2wkj h HIS 0 Cb 0.00 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.09 2wkj h HIS 0 CO 0.00 0.73 0.22 1.12 -0.00 0.00 0.00 177.93 180.01 2wkj h HIS 1 N 0.98 0.37 -0.46 2.45 -0.00 -1.98 -2.21 115.15 114.30 2wkj h HIS 1 Ca 0.24 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 2wkj h HIS 1 Cb 0.13 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 2wkj h HIS 1 CO 0.01 0.23 0.00 0.00 -0.00 0.00 0.00 177.93 178.17 2wkj n ALA 2 N -2.50 2.43 -0.26 6.11 0.00 -0.93 -4.55 120.51 120.82 2wkj n ALA 2 Ca 0.02 -0.89 0.18 0.00 0.00 0.00 0.00 53.44 52.76 2wkj n ALA 2 Cb 0.11 -0.96 0.34 0.00 0.00 0.00 0.00 19.45 18.94 2wkj n ALA 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2wkj n THR 3 N 1.02 -0.32 0.77 0.00 5.66 -0.83 -0.65 114.28 119.92 2wkj n THR 3 Ca 0.18 1.62 0.05 0.00 -3.05 0.00 0.00 64.05 62.85 2wkj n THR 3 Cb 0.45 -2.50 0.32 0.00 -1.55 0.00 0.00 70.33 67.06 2wkj n THR 3 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2wkj n ASN 4 N -4.90 0.00 -0.33 1.09 0.23 -1.26 -1.68 115.26 108.41 2wkj n ASN 4 Ca 0.24 -0.43 0.13 0.00 -0.53 0.00 0.00 54.58 53.99 2wkj n ASN 4 Cb 0.80 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.89 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 -0.94 1.24 -4.77 -4.53 4.77 0.18 -4.95 117.00 107.99 2wkj n LEU 5 Ca 0.08 -0.36 -0.40 0.00 -0.03 0.00 0.00 56.01 55.30 2wkj n LEU 5 Cb 0.04 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2wkj n LEU 5 CO 0.06 0.22 0.91 -0.60 -1.33 0.00 0.00 177.39 176.65 2wkj s ARG 6 N -2.36 4.26 0.00 3.23 3.52 -0.68 -4.90 118.95 122.03 2wkj s ARG 6 Ca 0.28 2.04 0.00 0.00 -0.13 0.00 0.00 55.73 57.92 2wkj s ARG 6 Cb 0.20 -2.93 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 2wkj s ARG 6 CO 0.47 -0.21 0.00 0.41 -0.81 0.00 0.00 175.30 175.16 2wkj n GLY 7 N 0.80 0.74 3.15 8.12 0.00 -1.25 -5.05 105.19 111.69 2wkj n GLY 7 Ca 0.02 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.83 2.99 -0.10 1.61 1.01 -1.26 -1.35 120.40 120.48 2wkj s VAL 8 Ca 0.00 -1.58 0.03 0.00 0.00 0.00 0.00 61.98 60.43 2wkj s VAL 8 Cb 0.00 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.57 2wkj s VAL 8 CO 0.00 -0.25 -0.19 -0.04 0.00 0.00 0.00 175.10 174.62 2wkj s MET 9 N 1.21 2.55 0.18 2.72 -1.94 -0.24 -1.22 119.30 122.55 2wkj s MET 9 Ca -0.02 -0.70 -0.30 0.00 -1.71 0.00 0.00 55.69 52.97 2wkj s MET 9 Cb -0.20 -2.03 -0.08 0.00 2.01 0.00 0.00 34.83 34.53 2wkj s MET 9 CO -0.02 0.06 1.22 0.00 -0.01 0.00 0.00 175.02 176.27 2wkj s ALA 10 N 0.64 3.45 -0.74 3.03 0.00 -0.84 -2.78 121.76 124.53 2wkj s ALA 10 Ca -0.13 0.98 -0.27 0.00 0.00 0.00 0.00 51.96 52.54 2wkj s ALA 10 Cb -0.16 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.55 2wkj s ALA 10 CO 0.04 -0.41 1.38 0.00 0.00 0.00 0.00 175.76 176.76 2wkj s ALA 11 N 0.08 2.65 0.29 0.00 0.00 -0.33 -0.59 121.76 123.86 2wkj s ALA 11 Ca 0.54 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 2wkj s ALA 11 Cb -0.33 -4.29 -0.11 0.00 0.00 0.00 0.00 23.12 18.39 2wkj s ALA 11 CO 0.36 -3.42 1.50 -1.17 0.00 0.00 0.00 175.76 173.04 2wkj s LEU 12 N 6.20 4.36 0.45 0.00 2.96 -0.22 -4.54 118.68 127.90 2wkj s LEU 12 Ca 0.41 2.85 -0.20 0.00 -0.22 0.00 0.00 54.13 56.97 2wkj s LEU 12 Cb -0.08 -3.64 -0.10 0.00 0.50 0.00 0.00 46.19 42.87 2wkj s LEU 12 CO 0.14 -0.81 0.96 -0.76 -1.32 0.00 0.00 176.35 174.56 2wkj s LEU 13 N -0.81 3.86 -0.41 -0.68 1.43 -1.26 -2.95 118.68 117.85 2wkj s LEU 13 Ca 0.59 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 2wkj s LEU 13 Cb -0.45 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.29 2wkj s LEU 13 CO 0.49 -0.44 0.27 -0.89 0.23 0.00 0.00 176.35 176.00 2wkj s THR 14 N -2.27 4.64 0.35 5.49 2.01 -1.26 -4.93 115.64 119.67 2wkj s THR 14 Ca 0.62 -1.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.28 2wkj s THR 14 Cb -0.10 -3.70 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 2wkj s THR 14 CO 0.18 -0.39 1.21 -2.84 -0.69 0.00 0.00 174.62 172.09 2wkj s PRO 15 N 1.54 4.28 0.30 4.92 0.02 -1.26 -4.98 135.00 139.82 2wkj s PRO 15 Ca 0.03 1.99 0.08 0.00 0.02 0.00 0.00 61.00 63.12 2wkj s PRO 15 Cb -0.21 -2.93 -0.06 0.00 0.02 0.00 0.00 34.50 31.31 2wkj s PRO 15 CO 0.05 -0.17 -0.08 -0.06 -0.33 0.00 0.00 177.00 176.41 2wkj s PHE 16 N -1.25 2.12 0.35 6.54 0.08 -1.26 -1.31 117.98 123.26 2wkj s PHE 16 Ca 0.51 -0.61 0.04 0.00 0.12 0.00 0.00 56.93 57.00 2wkj s PHE 16 Cb -0.35 -1.20 0.04 0.00 -0.57 0.00 0.00 43.02 40.95 2wkj s PHE 16 CO 0.45 0.41 0.36 -0.40 -0.10 0.00 0.00 175.22 175.94 2wkj n ASP 17 N -0.66 1.75 0.29 1.36 5.68 0.08 -4.40 116.55 120.65 2wkj n ASP 17 Ca -0.05 -2.08 0.16 0.00 -0.50 0.00 0.00 54.79 52.32 2wkj n ASP 17 Cb 0.63 -0.13 0.84 0.00 -1.14 0.00 0.00 41.12 41.33 2wkj n ASP 17 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2wkj h GLN 18 N 0.00 0.00 -0.14 0.11 5.75 -1.93 0.13 115.11 119.03 2wkj h GLN 18 Ca -0.20 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 2wkj h GLN 18 Cb 0.78 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.33 2wkj h GLN 18 CO 0.30 0.06 0.00 1.04 -2.65 0.00 0.00 178.83 177.57 2wkj n GLN 19 N -3.36 1.55 -1.05 1.69 3.00 -1.26 -4.91 117.38 113.04 2wkj n GLN 19 Ca -0.01 -0.83 -0.02 0.00 -0.01 0.00 0.00 57.00 56.13 2wkj n GLN 19 Cb 0.21 -1.35 -0.01 0.00 0.00 0.00 0.00 30.24 29.09 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 0.06 -0.80 -1.78 -1.09 1.13 0.45 -5.02 117.38 110.33 2wkj n GLN 20 Ca 0.15 0.32 -0.31 0.00 -1.94 0.00 0.00 57.00 55.22 2wkj n GLN 20 Cb 0.26 -4.00 0.03 0.00 0.11 0.00 0.00 30.24 26.64 2wkj n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wkj s ALA 21 N -1.72 2.86 0.34 -1.58 0.00 -1.26 -4.70 121.76 115.71 2wkj s ALA 21 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 2wkj s ALA 21 Cb 0.00 -3.14 -0.12 0.00 0.00 0.00 0.00 23.12 19.86 2wkj s ALA 21 CO 0.00 -0.92 1.48 1.28 0.00 0.00 0.00 175.76 177.60 2wkj n LEU 22 N -2.78 4.38 -4.16 0.00 4.77 -1.26 -0.74 117.00 117.21 2wkj n LEU 22 Ca 0.07 1.20 -0.39 0.00 -0.03 0.00 0.00 56.01 56.86 2wkj n LEU 22 Cb 0.54 -1.58 -0.08 0.00 -2.33 0.00 0.00 43.42 39.96 2wkj n LEU 22 CO 0.55 0.02 0.05 -0.62 -1.33 0.00 0.00 177.39 176.06 2wkj s ASP 23 N 0.03 5.59 0.26 -1.43 -1.08 -0.42 -4.68 116.67 114.93 2wkj s ASP 23 Ca 0.57 -2.48 0.07 0.00 -0.52 0.00 0.00 52.55 50.19 2wkj s ASP 23 Cb -0.51 -1.94 0.32 0.00 -1.46 0.00 0.00 42.92 39.33 2wkj s ASP 23 CO 0.59 -0.51 1.60 0.11 0.52 0.00 0.00 175.17 177.48 2wkj h LYS 24 N 7.65 0.15 -0.47 4.34 1.57 -1.93 -1.69 116.57 126.18 2wkj h LYS 24 Ca -0.06 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 2wkj h LYS 24 Cb 1.01 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2wkj h LYS 24 CO 0.75 0.69 -0.09 0.00 -0.57 0.00 0.00 179.45 180.23 2wkj h ALA 25 N 1.29 0.65 -0.11 3.86 0.00 -1.98 -1.25 119.26 121.72 2wkj h ALA 25 Ca -0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2wkj h ALA 25 Cb 1.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2wkj h ALA 25 CO 0.09 0.54 -0.41 0.77 0.00 0.00 0.00 179.25 180.23 2wkj h SER 26 N 0.75 0.25 -0.02 0.00 0.02 -1.81 -2.17 113.55 110.56 2wkj h SER 26 Ca 0.12 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2wkj h SER 26 Cb 0.64 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 2wkj h SER 26 CO 0.04 0.63 -0.06 0.25 -1.14 0.00 0.00 176.83 176.56 2wkj h LEU 27 N 0.20 -0.17 -0.44 5.07 5.85 -1.00 -0.12 115.31 124.69 2wkj h LEU 27 Ca 0.02 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2wkj h LEU 27 Cb 0.81 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 2wkj h LEU 27 CO 0.06 -0.09 0.22 0.03 -0.34 0.00 0.00 178.44 178.33 2wkj h ARG 28 N -0.09 0.43 -0.75 1.25 3.08 -1.08 -0.95 114.38 116.26 2wkj h ARG 28 Ca 0.03 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2wkj h ARG 28 Cb 0.14 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 2wkj h ARG 28 CO -0.08 0.29 0.48 -0.09 -1.07 0.00 0.00 179.97 179.50 2wkj h ARG 29 N 0.45 0.92 -0.47 0.04 2.43 -1.17 -1.63 114.38 114.95 2wkj h ARG 29 Ca 0.19 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.20 2wkj h ARG 29 Cb 0.09 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2wkj h ARG 29 CO -0.13 0.61 -0.13 1.25 -1.51 0.00 0.00 179.97 180.06 2wkj h LEU 30 N 0.95 0.87 -0.24 3.80 5.85 -0.64 0.53 115.31 126.42 2wkj h LEU 30 Ca 0.29 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2wkj h LEU 30 Cb -0.02 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2wkj h LEU 30 CO -0.10 1.01 0.15 0.58 -0.34 0.00 0.00 178.44 179.73 2wkj h VAL 31 N 0.78 1.04 -0.42 1.05 2.07 -0.77 -1.49 116.25 118.51 2wkj h VAL 31 Ca 0.12 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 2wkj h VAL 31 Cb 0.65 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2wkj h VAL 31 CO 0.05 0.06 -0.13 1.56 0.02 0.00 0.00 177.57 179.12 2wkj h GLN 32 N 0.30 0.77 -0.61 1.57 1.08 -1.09 -1.83 115.11 115.30 2wkj h GLN 32 Ca 0.09 -0.26 0.02 0.00 -1.45 0.00 0.00 58.65 57.05 2wkj h GLN 32 Cb -0.02 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.32 2wkj h GLN 32 CO -0.03 0.86 0.38 0.35 -0.95 0.00 0.00 178.83 179.44 2wkj h PHE 33 N 0.69 0.71 -0.42 2.96 3.57 -0.60 -1.89 116.94 121.96 2wkj h PHE 33 Ca 0.11 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 2wkj h PHE 33 Cb 0.61 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2wkj h PHE 33 CO 0.03 0.41 0.09 -0.91 -2.23 0.00 0.00 178.31 175.70 2wkj h ASN 34 N 0.75 0.66 -0.84 0.41 2.35 -0.92 -2.84 115.58 115.14 2wkj h ASN 34 Ca 0.24 -0.25 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 2wkj h ASN 34 Cb 0.01 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 38.14 2wkj h ASN 34 CO -0.10 0.73 0.50 0.40 -1.65 0.00 0.00 177.43 177.32 2wkj h ILE 35 N 0.55 0.97 0.00 2.81 2.04 -0.98 -2.28 117.51 120.62 2wkj h ILE 35 Ca 0.13 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2wkj h ILE 35 Cb 0.35 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2wkj h ILE 35 CO 0.00 0.16 0.00 1.56 0.00 0.00 0.00 178.15 179.88 2wkj h GLN 36 N 0.88 0.00 0.00 2.37 4.20 -1.11 -1.47 115.11 119.98 2wkj h GLN 36 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 2wkj h GLN 36 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2wkj h GLN 36 CO -0.21 0.00 0.00 1.96 -0.67 0.00 0.00 178.83 179.91 2wkj h GLN 37 N 0.00 0.00 0.00 1.46 7.50 -1.31 -3.46 115.11 119.30 2wkj h GLN 37 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2wkj h GLN 37 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.02 2wkj h GLN 37 CO 0.00 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.74 2wkj n GLY 38 N 0.55 0.46 3.69 3.46 0.00 -0.55 -4.31 105.19 108.47 2wkj n GLY 38 Ca 0.03 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 2wkj n GLY 38 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2wkj n ILE 39 N -3.03 3.33 0.24 -0.61 0.13 -1.21 -4.92 119.36 113.30 2wkj n ILE 39 Ca 0.00 -0.50 0.13 0.00 -1.10 0.00 0.00 62.75 61.28 2wkj n ILE 39 Cb 0.07 -1.45 0.32 0.00 -0.84 0.00 0.00 39.64 37.73 2wkj n ILE 39 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 2wkj h ASP 40 N 1.37 0.00 0.00 9.51 3.32 -1.53 -3.47 116.42 125.62 2wkj h ASP 40 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2wkj h ASP 40 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2wkj h ASP 40 CO 0.56 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.69 2wkj n GLY 41 N 0.81 -0.62 3.12 2.75 0.00 -1.23 -1.77 105.19 108.24 2wkj n GLY 41 Ca 0.03 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 2wkj n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wkj s LEU 42 N 0.00 2.07 -0.34 0.99 1.43 -0.13 -1.99 118.68 120.70 2wkj s LEU 42 Ca 0.00 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 2wkj s LEU 42 Cb 0.00 -0.69 0.05 0.00 0.03 0.00 0.00 46.19 45.58 2wkj s LEU 42 CO 0.00 0.14 0.11 -0.47 0.23 0.00 0.00 176.35 176.35 2wkj s TYR 43 N -0.47 3.29 -0.15 0.29 5.04 0.25 -0.84 117.35 124.76 2wkj s TYR 43 Ca 0.04 -1.58 -0.06 0.00 -2.44 0.00 0.00 57.07 53.04 2wkj s TYR 43 Cb -0.06 -2.37 -0.04 0.00 0.35 0.00 0.00 41.96 39.84 2wkj s TYR 43 CO -0.00 -0.77 0.06 0.08 -1.34 0.00 0.00 175.55 173.58 2wkj s VAL 44 N 1.36 4.79 -0.70 3.14 1.01 -0.03 -1.05 120.40 128.91 2wkj s VAL 44 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2wkj s VAL 44 Cb -0.20 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2wkj s VAL 44 CO 0.02 0.52 0.10 0.61 0.00 0.00 0.00 175.10 176.35 2wkj n GLY 45 N 2.95 0.08 0.00 4.51 0.00 -1.26 -0.46 105.19 111.01 2wkj n GLY 45 Ca -0.18 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.03 0.36 0.17 -0.02 0.00 -1.26 -4.44 105.19 98.97 2wkj n GLY 46 Ca -0.08 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.39 -0.07 1.61 0.02 -1.96 -1.88 113.55 110.88 2wkj h SER 47 Ca 0.00 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2wkj h SER 47 Cb 0.00 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2wkj h SER 47 CO 0.00 -0.17 0.02 0.74 -1.14 0.00 0.00 176.83 176.29 2wkj h THR 48 N -0.15 1.06 0.00 -2.27 2.02 -1.89 -1.23 112.91 110.45 2wkj h THR 48 Ca 0.09 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2wkj h THR 48 Cb 0.28 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2wkj h THR 48 CO -0.21 0.08 0.00 0.61 0.37 0.00 0.00 175.52 176.37 2wkj n GLY 49 N -1.37 -0.90 3.33 2.16 0.00 -0.74 -4.40 105.19 103.27 2wkj n GLY 49 Ca -0.01 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.66 -6.61 -0.27 1.61 1.02 -0.47 -4.12 120.64 111.15 2wkj n GLU 50 Ca 0.07 0.87 0.08 0.00 -0.02 0.00 0.00 57.16 58.16 2wkj n GLU 50 Cb 0.03 -5.84 0.22 0.00 -0.02 0.00 0.00 31.44 25.83 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 1.01 1.13 -0.10 0.62 0.00 -1.66 -2.74 119.26 117.53 2wkj h ALA 51 Ca -0.55 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2wkj h ALA 51 Cb 1.37 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2wkj h ALA 51 CO 0.57 -0.29 0.00 1.19 0.00 0.00 0.00 179.25 180.72 2wkj n PHE 52 N -5.07 0.13 -1.04 0.00 3.72 -1.26 -2.00 117.46 111.93 2wkj n PHE 52 Ca 0.17 -0.06 0.10 0.00 -0.05 0.00 0.00 57.45 57.60 2wkj n PHE 52 Cb 0.50 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.19 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 -0.20 1.90 -4.43 -4.37 0.24 -1.04 -5.03 118.33 105.41 2wkj n VAL 53 Ca 0.13 -2.22 -0.26 0.00 -2.04 0.00 0.00 64.34 59.95 2wkj n VAL 53 Cb 0.18 -0.23 -0.11 0.00 -1.47 0.00 0.00 33.84 32.21 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 -2.84 1.53 0.84 7.34 -0.21 -0.85 -5.05 119.66 120.43 2wkj s GLN 54 Ca 0.32 -1.55 -0.12 0.00 0.02 0.00 0.00 55.36 54.03 2wkj s GLN 54 Cb 0.28 -1.82 0.10 0.00 1.00 0.00 0.00 33.01 32.57 2wkj s GLN 54 CO 0.03 0.39 1.13 -1.54 -2.12 0.00 0.00 175.29 173.18 2wkj s SER 55 N -2.78 4.13 0.18 5.90 1.04 -1.26 -4.89 113.70 116.02 2wkj s SER 55 Ca 0.22 1.04 -0.12 0.00 0.48 0.00 0.00 55.95 57.56 2wkj s SER 55 Cb -0.07 -1.66 0.09 0.00 0.10 0.00 0.00 66.02 64.48 2wkj s SER 55 CO 0.10 -2.17 1.78 -0.07 0.98 0.00 0.00 173.24 173.86 2wkj h LEU 56 N -1.23 0.79 -0.51 2.42 3.38 -1.99 -1.28 115.31 116.89 2wkj h LEU 56 Ca -0.48 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.42 2wkj h LEU 56 Cb 1.31 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 2wkj h LEU 56 CO 0.62 0.68 0.26 -1.28 0.09 0.00 0.00 178.44 178.81 2wkj h SER 57 N 0.84 0.38 -0.42 -0.43 0.87 -1.99 0.28 113.55 113.09 2wkj h SER 57 Ca 0.21 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2wkj h SER 57 Cb 0.09 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2wkj h SER 57 CO -0.03 0.26 0.25 -0.33 -0.53 0.00 0.00 176.83 176.45 2wkj h GLU 58 N 0.51 0.57 -0.62 2.24 5.08 -1.85 0.04 114.58 120.53 2wkj h GLU 58 Ca 0.22 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2wkj h GLU 58 Cb 0.13 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2wkj h GLU 58 CO -0.15 0.42 0.32 0.00 -1.00 0.00 0.00 179.01 178.61 2wkj h ARG 59 N 0.55 0.88 -0.56 2.33 3.08 -0.77 -1.63 114.38 118.26 2wkj h ARG 59 Ca 0.15 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2wkj h ARG 59 Cb 0.01 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 2wkj h ARG 59 CO -0.03 0.69 0.37 0.93 -1.07 0.00 0.00 179.97 180.86 2wkj h GLU 60 N 0.85 0.74 -0.82 0.04 5.08 -0.70 -0.99 114.58 118.78 2wkj h GLU 60 Ca 0.22 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2wkj h GLU 60 Cb 0.07 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 2wkj h GLU 60 CO -0.03 0.49 0.52 1.96 -1.00 0.00 0.00 179.01 180.96 2wkj h GLN 61 N 0.76 0.99 -0.21 2.33 4.20 -0.49 -0.11 115.11 122.58 2wkj h GLN 61 Ca 0.21 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 2wkj h GLN 61 Cb -0.08 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.47 2wkj h GLN 61 CO -0.04 0.65 -0.01 0.28 -0.67 0.00 0.00 178.83 179.04 2wkj h VAL 62 N 1.02 1.26 -0.62 -0.54 2.07 -1.07 -2.39 116.25 115.98 2wkj h VAL 62 Ca 0.33 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 67.02 2wkj h VAL 62 Cb 0.02 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 2wkj h VAL 62 CO -0.12 0.28 0.28 -0.07 0.02 0.00 0.00 177.57 177.96 2wkj h LEU 63 N 0.13 0.35 -0.43 2.57 3.38 -0.77 -1.10 115.31 119.43 2wkj h LEU 63 Ca 0.06 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2wkj h LEU 63 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2wkj h LEU 63 CO 0.01 0.21 0.15 -0.08 0.09 0.00 0.00 178.44 178.83 2wkj h GLU 64 N 0.50 0.65 -0.44 1.13 4.81 -0.95 -1.25 114.58 119.03 2wkj h GLU 64 Ca 0.30 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2wkj h GLU 64 Cb 0.30 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2wkj h GLU 64 CO -0.25 0.62 -0.00 0.82 -0.73 0.00 0.00 179.01 179.47 2wkj h ILE 65 N 0.54 1.26 -0.90 2.32 2.04 -1.14 -1.56 117.51 120.08 2wkj h ILE 65 Ca 0.14 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 2wkj h ILE 65 Cb 0.23 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2wkj h ILE 65 CO -0.01 0.36 0.51 0.58 0.00 0.00 0.00 178.15 179.60 2wkj h VAL 66 N 0.63 1.25 -0.47 1.67 2.07 -0.91 -1.60 116.25 118.89 2wkj h VAL 66 Ca 0.12 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2wkj h VAL 66 Cb 0.50 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2wkj h VAL 66 CO 0.02 0.28 0.22 0.00 0.02 0.00 0.00 177.57 178.11 2wkj h ALA 67 N 1.28 0.61 -0.92 1.67 0.00 -0.97 -0.03 119.26 120.90 2wkj h ALA 67 Ca 0.32 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.23 2wkj h ALA 67 Cb -0.01 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.51 2wkj h ALA 67 CO -0.05 0.18 0.54 0.93 0.00 0.00 0.00 179.25 180.85 2wkj h GLU 68 N 0.62 0.81 0.00 0.00 5.08 -0.78 0.29 114.58 120.60 2wkj h GLU 68 Ca 0.16 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.26 2wkj h GLU 68 Cb 0.14 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2wkj h GLU 68 CO -0.02 0.53 -1.04 0.93 -1.00 0.00 0.00 179.01 178.42 2wkj h GLU 69 N 0.83 0.00 0.00 2.33 4.39 -0.72 -3.41 114.58 118.01 2wkj h GLU 69 Ca 0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.17 2wkj h GLU 69 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2wkj h GLU 69 CO -0.29 0.95 -0.19 0.00 -1.16 0.00 0.00 179.01 178.32 2wkj n ALA 70 N -2.36 1.19 -1.72 3.43 0.00 -0.08 -4.98 120.51 115.99 2wkj n ALA 70 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 2wkj n ALA 70 Cb 0.94 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.37 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 -0.69 2.60 0.00 0.00 4.81 0.07 -0.90 118.16 124.04 2wkj n LYS 71 Ca 0.00 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 2wkj n LYS 71 Cb 0.00 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.34 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 2.81 2.76 0.13 3.14 0.00 -1.26 -4.83 105.19 107.94 2wkj n GLY 72 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 0.67 -4.20 1.61 5.02 -0.08 -5.02 118.16 114.17 2wkj n LYS 73 Ca 0.00 0.23 -0.12 0.00 -2.02 0.00 0.00 58.31 56.40 2wkj n LYS 73 Cb 0.00 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.32 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 0.13 0.39 -0.18 -4.36 -1.11 -5.06 121.20 108.49 2wkj s ILE 74 Ca -0.31 -1.97 -0.24 0.00 -0.26 0.00 0.00 60.65 57.87 2wkj s ILE 74 Cb 0.09 -2.33 -0.10 0.00 1.25 0.00 0.00 42.46 41.37 2wkj s ILE 74 CO 0.64 -0.19 1.00 -0.54 0.24 0.00 0.00 174.94 176.09 2wkj s LYS 75 N -4.10 4.26 -0.11 0.37 -0.14 -0.73 -4.70 119.74 114.60 2wkj s LYS 75 Ca 0.33 1.38 -0.00 0.00 -1.36 0.00 0.00 55.97 56.32 2wkj s LYS 75 Cb 0.07 -2.51 0.02 0.00 -1.68 0.00 0.00 37.83 33.74 2wkj s LYS 75 CO 0.08 -0.03 -0.08 -0.51 -0.76 0.00 0.00 175.35 174.04 2wkj s LEU 76 N -2.65 1.25 -0.16 3.17 1.43 -1.26 -0.96 118.68 119.49 2wkj s LEU 76 Ca 0.57 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 2wkj s LEU 76 Cb -0.18 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 2wkj s LEU 76 CO 0.23 -0.10 -0.13 -0.63 0.23 0.00 0.00 176.35 175.95 2wkj s ILE 77 N 1.56 2.87 -0.36 -0.59 1.01 -0.02 -0.93 121.20 124.75 2wkj s ILE 77 Ca 0.02 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 2wkj s ILE 77 Cb -0.13 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 2wkj s ILE 77 CO -0.07 0.50 0.40 0.00 0.00 0.00 0.00 174.94 175.78 2wkj s ALA 78 N 0.81 3.48 -0.52 9.38 0.00 -0.26 -0.85 121.76 133.81 2wkj s ALA 78 Ca -0.05 -1.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.41 2wkj s ALA 78 Cb -0.15 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.10 2wkj s ALA 78 CO 0.00 -1.18 1.22 -1.58 0.00 0.00 0.00 175.76 174.23 2wkj s HIS 79 N 2.10 2.63 -2.36 0.00 2.46 0.40 -0.50 115.29 120.02 2wkj s HIS 79 Ca 0.13 0.57 0.21 0.00 0.47 0.00 0.00 55.06 56.44 2wkj s HIS 79 Cb -0.16 -4.45 0.11 0.00 -0.13 0.00 0.00 32.58 27.95 2wkj s HIS 79 CO 0.12 -1.55 1.11 1.33 -2.47 0.00 0.00 174.74 173.28 2wkj n VAL 80 N 6.82 0.00 -2.08 0.89 0.24 0.34 -4.62 118.33 119.93 2wkj n VAL 80 Ca 0.11 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.34 61.56 2wkj n VAL 80 Cb 0.49 1.37 -0.02 0.00 -1.47 0.00 0.00 33.84 34.21 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 -1.88 2.45 0.23 7.63 0.00 -1.16 -4.23 107.32 110.36 2wkj s GLY 81 Ca 0.22 1.26 0.01 0.00 0.00 0.00 0.00 44.72 46.21 2wkj s GLY 81 CO 0.33 2.18 0.10 0.00 0.00 0.00 0.00 173.10 175.71 2wkj h VAL 83 N 2.48 1.08 -3.21 0.00 2.07 -1.94 -3.43 116.25 113.29 2wkj h VAL 83 Ca -0.37 -0.21 -0.53 0.00 0.82 0.00 0.00 66.70 66.41 2wkj h VAL 83 Cb 1.24 0.97 0.03 0.00 -1.52 0.00 0.00 31.29 32.02 2wkj h VAL 83 CO 0.59 0.07 0.71 -0.55 0.02 0.00 0.00 177.57 178.41 2wkj s SER 84 N -5.39 6.81 0.12 0.57 0.15 -1.26 -4.84 113.70 109.85 2wkj s SER 84 Ca -0.13 2.44 -0.17 0.00 0.70 0.00 0.00 55.95 58.78 2wkj s SER 84 Cb 0.07 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 2wkj s SER 84 CO 0.69 -0.62 1.64 0.74 1.20 0.00 0.00 173.24 176.89 2wkj h THR 85 N 3.90 1.20 -0.82 6.45 2.02 -1.96 -2.32 112.91 121.37 2wkj h THR 85 Ca -0.44 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.07 2wkj h THR 85 Cb 1.21 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 2wkj h THR 85 CO 0.81 0.22 0.34 0.00 0.37 0.00 0.00 175.52 177.26 2wkj h ALA 86 N 0.95 1.06 -0.62 6.16 0.00 -1.97 0.50 119.26 125.34 2wkj h ALA 86 Ca 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2wkj h ALA 86 Cb 0.23 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2wkj h ALA 86 CO -0.01 0.67 0.20 0.93 0.00 0.00 0.00 179.25 181.05 2wkj h GLU 87 N 1.18 0.96 -0.75 0.00 5.08 -1.95 -1.81 114.58 117.29 2wkj h GLU 87 Ca 0.27 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2wkj h GLU 87 Cb 0.19 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2wkj h GLU 87 CO -0.03 0.85 0.44 0.77 -1.00 0.00 0.00 179.01 180.04 2wkj h SER 88 N 0.89 0.91 -0.53 1.42 0.02 -0.81 -2.10 113.55 113.35 2wkj h SER 88 Ca 0.20 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 2wkj h SER 88 Cb 0.28 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2wkj h SER 88 CO -0.01 0.71 0.08 1.56 -1.14 0.00 0.00 176.83 178.04 2wkj h GLN 89 N 1.04 0.88 -0.26 3.45 4.20 -0.57 -0.49 115.11 123.37 2wkj h GLN 89 Ca 0.27 -0.24 0.03 0.00 0.06 0.00 0.00 58.65 58.77 2wkj h GLN 89 Cb -0.02 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2wkj h GLN 89 CO -0.05 0.86 0.07 0.37 -0.67 0.00 0.00 178.83 179.42 2wkj h GLN 90 N 0.77 0.18 -0.40 1.46 4.15 -0.88 -0.36 115.11 120.02 2wkj h GLN 90 Ca 0.16 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.50 2wkj h GLN 90 Cb 0.41 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 2wkj h GLN 90 CO 0.01 0.12 -0.04 -0.07 -1.93 0.00 0.00 178.83 176.92 2wkj h LEU 91 N 0.18 0.64 -0.58 -2.39 3.38 -1.14 -1.95 115.31 113.46 2wkj h LEU 91 Ca 0.12 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2wkj h LEU 91 Cb 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2wkj h LEU 91 CO -0.13 0.74 0.19 0.00 0.09 0.00 0.00 178.44 179.33 2wkj h ALA 92 N 1.33 0.76 -0.76 1.53 0.00 -0.66 -0.09 119.26 121.36 2wkj h ALA 92 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2wkj h ALA 92 Cb 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2wkj h ALA 92 CO 0.02 0.41 0.37 0.00 0.00 0.00 0.00 179.25 180.06 2wkj h ALA 93 N 1.05 0.97 -0.51 0.00 0.00 -0.82 -1.90 119.26 118.06 2wkj h ALA 93 Ca 0.19 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2wkj h ALA 93 Cb 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2wkj h ALA 93 CO -0.01 0.53 0.10 0.77 0.00 0.00 0.00 179.25 180.65 2wkj h SER 94 N 1.06 0.79 -0.87 0.00 0.02 -1.09 -1.88 113.55 111.58 2wkj h SER 94 Ca 0.26 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2wkj h SER 94 Cb 0.11 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.38 2wkj h SER 94 CO -0.03 0.83 0.56 0.00 -1.14 0.00 0.00 176.83 177.05 2wkj h ALA 95 N 0.99 1.17 -0.35 3.77 0.00 -0.69 0.07 119.26 124.22 2wkj h ALA 95 Ca 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2wkj h ALA 95 Cb 0.36 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2wkj h ALA 95 CO 0.01 0.38 0.21 -0.22 0.00 0.00 0.00 179.25 179.62 2wkj h LYS 96 N 1.07 0.41 -0.68 0.00 1.63 -1.19 -1.79 116.57 116.02 2wkj h LYS 96 Ca 0.36 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.13 2wkj h LYS 96 Cb 0.05 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 2wkj h LYS 96 CO -0.13 0.27 0.40 0.00 -3.45 0.00 0.00 179.45 176.54 2wkj h ARG 97 N 0.42 0.91 -0.00 1.90 3.08 -0.42 -2.16 114.38 118.12 2wkj h ARG 97 Ca 0.14 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2wkj h ARG 97 Cb -0.01 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.85 2wkj h ARG 97 CO -0.06 0.65 -0.07 0.66 -1.07 0.00 0.00 179.97 180.08 2wkj n TYR 98 N -4.40 0.00 -1.37 3.04 4.01 -0.10 -4.93 117.16 113.42 2wkj n TYR 98 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2wkj n TYR 98 Cb 0.07 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 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 1.38 0.83 3.74 2.72 0.00 -0.81 -4.86 105.19 108.19 2wkj n GLY 99 Ca 0.11 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.00 2.27 -0.20 1.61 0.40 -0.72 -4.94 117.98 114.41 2wkj s PHE 100 Ca 0.00 1.60 0.16 0.00 -0.60 0.00 0.00 56.93 58.09 2wkj s PHE 100 Cb 0.00 -3.29 0.08 0.00 0.51 0.00 0.00 43.02 40.32 2wkj s PHE 100 CO 0.00 -2.19 1.39 -0.44 0.70 0.00 0.00 175.22 174.68 2wkj h ASP 101 N -0.46 0.00 -4.97 1.36 3.32 -1.38 -3.46 116.42 110.83 2wkj h ASP 101 Ca -0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 2wkj h ASP 101 Cb 1.27 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.69 2wkj h ASP 101 CO 0.51 0.42 0.23 0.00 -1.72 0.00 0.00 179.24 178.68 2wkj s ALA 102 N -3.00 -1.62 0.35 3.45 0.00 -1.06 -4.19 121.76 115.69 2wkj s ALA 102 Ca 0.04 0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.62 2wkj s ALA 102 Cb 0.07 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 2wkj s ALA 102 CO 0.74 -0.76 0.13 0.14 0.00 0.00 0.00 175.76 176.01 2wkj s VAL 103 N -3.65 2.91 -0.01 0.00 -7.23 -0.36 -1.10 120.40 110.96 2wkj s VAL 103 Ca 0.01 -1.74 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 2wkj s VAL 103 Cb -0.01 -2.95 0.01 0.00 0.56 0.00 0.00 36.38 33.99 2wkj s VAL 103 CO -0.12 -0.17 0.23 -0.55 -0.31 0.00 0.00 175.10 174.18 2wkj s SER 104 N -3.83 -0.09 -0.09 4.85 0.15 0.34 -0.58 113.70 114.45 2wkj s SER 104 Ca 0.37 -0.04 -0.04 0.00 0.70 0.00 0.00 55.95 56.95 2wkj s SER 104 Cb -0.02 0.27 0.04 0.00 -1.71 0.00 0.00 66.02 64.61 2wkj s SER 104 CO 0.22 -0.40 0.20 0.00 1.20 0.00 0.00 173.24 174.46 2wkj s ALA 105 N -1.31 -0.44 0.52 5.45 0.00 -1.13 -0.50 121.76 124.35 2wkj s ALA 105 Ca -0.14 0.87 -0.22 0.00 0.00 0.00 0.00 51.96 52.47 2wkj s ALA 105 Cb -0.06 -0.56 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 2wkj s ALA 105 CO 0.03 -0.18 1.35 0.54 0.00 0.00 0.00 175.76 177.50 2wkj s VAL 106 N 1.22 2.17 0.07 0.00 0.11 -1.26 -2.36 120.40 120.35 2wkj s VAL 106 Ca -0.09 0.13 -0.34 0.00 -2.93 0.00 0.00 61.98 58.75 2wkj s VAL 106 Cb -0.11 -3.07 -0.13 0.00 -1.53 0.00 0.00 36.38 31.55 2wkj s VAL 106 CO -0.07 0.00 1.70 0.35 -3.33 0.00 0.00 175.10 173.74 2wkj n THR 107 N -0.84 0.22 -1.92 5.04 -2.24 -0.90 -4.80 114.28 108.85 2wkj n THR 107 Ca 0.09 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.43 2wkj n THR 107 Cb 0.45 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 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 2.12 3.97 0.17 -0.78 0.04 -1.26 -4.95 135.00 134.30 2wkj s PRO 108 Ca 0.84 2.35 0.00 0.00 0.04 0.00 0.00 61.00 64.23 2wkj s PRO 108 Cb -0.68 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2wkj s PRO 108 CO 0.43 -0.56 0.01 1.97 0.04 0.00 0.00 177.00 178.89 2wkj n PHE 109 N 0.20 0.22 0.00 0.56 -1.74 -1.26 -4.87 117.46 110.57 2wkj n PHE 109 Ca 0.03 -0.81 0.00 0.00 -0.56 0.00 0.00 57.45 56.11 2wkj n PHE 109 Cb 0.42 -0.11 0.00 0.00 1.52 0.00 0.00 39.48 41.30 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 -0.46 0.00 -2.62 2.97 4.19 -1.26 -4.83 117.16 115.14 2wkj n TYR 110 Ca -0.06 0.00 -0.41 0.00 3.31 0.00 0.00 57.90 60.74 2wkj n TYR 110 Cb 0.21 0.00 -0.05 0.00 0.49 0.00 0.00 39.34 39.99 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 3.76 0.13 2.98 2.02 -1.26 -5.02 117.35 119.96 2wkj s TYR 111 Ca 0.00 1.76 -0.31 0.00 -0.37 0.00 0.00 57.07 58.15 2wkj s TYR 111 Cb 0.00 -3.14 -0.08 0.00 -0.40 0.00 0.00 41.96 38.34 2wkj s TYR 111 CO 0.00 -0.10 1.34 -2.14 -1.57 0.00 0.00 175.55 173.07 2wkj s PRO 112 N -0.74 4.36 0.10 -1.71 0.02 -1.26 -5.03 135.00 130.75 2wkj s PRO 112 Ca 0.45 2.02 0.10 0.00 0.02 0.00 0.00 61.00 63.60 2wkj s PRO 112 Cb -0.28 -3.25 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 2wkj s PRO 112 CO 0.34 -0.35 -0.26 -0.06 -0.33 0.00 0.00 177.00 176.35 2wkj s PHE 113 N 0.78 2.20 0.83 6.54 0.08 -1.26 -5.14 117.98 122.01 2wkj s PHE 113 Ca 0.61 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 57.16 2wkj s PHE 113 Cb -0.36 -1.23 0.09 0.00 -0.57 0.00 0.00 43.02 40.96 2wkj s PHE 113 CO 0.33 0.26 1.09 -1.54 -0.10 0.00 0.00 175.22 175.26 2wkj s SER 114 N -1.81 4.11 0.24 1.36 1.04 -1.26 -4.83 113.70 112.54 2wkj s SER 114 Ca 0.12 1.45 -0.07 0.00 0.48 0.00 0.00 55.95 57.93 2wkj s SER 114 Cb -0.10 -2.17 0.22 0.00 0.10 0.00 0.00 66.02 64.07 2wkj s SER 114 CO 0.05 -2.23 1.89 0.15 0.98 0.00 0.00 173.24 174.07 2wkj h PHE 115 N -1.27 1.21 -0.95 5.02 3.57 -2.01 -0.81 116.94 121.70 2wkj h PHE 115 Ca -0.47 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.04 2wkj h PHE 115 Cb 1.27 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.56 2wkj h PHE 115 CO 0.47 0.80 0.63 1.49 -2.23 0.00 0.00 178.31 179.47 2wkj h GLU 116 N 1.27 1.25 -0.70 1.11 4.57 -1.99 -0.62 114.58 119.47 2wkj h GLU 116 Ca 0.33 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 2wkj h GLU 116 Cb -0.07 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.21 2wkj h GLU 116 CO -0.06 0.83 0.36 0.93 -1.18 0.00 0.00 179.01 179.89 2wkj h GLU 117 N 1.29 0.99 -0.49 1.92 5.08 -1.62 -0.38 114.58 121.37 2wkj h GLU 117 Ca 0.35 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2wkj h GLU 117 Cb -0.13 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.91 2wkj h GLU 117 CO -0.08 0.76 0.28 0.45 -1.00 0.00 0.00 179.01 179.42 2wkj h HIS 118 N 0.97 0.65 -0.60 4.33 3.86 -0.65 -1.21 115.15 122.50 2wkj h HIS 118 Ca 0.24 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2wkj h HIS 118 Cb 0.07 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 2wkj h HIS 118 CO 0.00 0.47 0.37 0.00 0.86 0.00 0.00 177.93 179.63 2wkj h ASP 120 N 0.82 0.65 -0.01 0.00 3.32 -0.87 -0.50 116.42 119.82 2wkj h ASP 120 Ca 0.22 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 2wkj h ASP 120 Cb -0.03 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 2wkj h ASP 120 CO -0.04 0.74 0.01 -0.74 -1.72 0.00 0.00 179.24 177.48 2wkj h HIS 121 N 0.64 0.02 -0.52 4.55 2.76 -0.76 -0.45 115.15 121.38 2wkj h HIS 121 Ca 0.13 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2wkj h HIS 121 Cb 0.43 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 2wkj h HIS 121 CO 0.02 0.05 0.27 1.88 -1.30 0.00 0.00 177.93 178.85 2wkj h TYR 122 N -0.02 0.74 -0.93 5.26 0.05 -1.13 -1.92 116.97 119.02 2wkj h TYR 122 Ca 0.01 -0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.78 2wkj h TYR 122 Cb 0.03 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 37.49 2wkj h TYR 122 CO -0.07 0.56 0.62 0.00 -1.05 0.00 0.00 178.16 178.22 2wkj h ARG 123 N 0.70 1.18 -0.44 4.88 3.08 -0.88 -0.31 114.38 122.59 2wkj h ARG 123 Ca 0.18 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 2wkj h ARG 123 Cb 0.08 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 2wkj h ARG 123 CO -0.03 0.78 -0.22 0.00 -1.07 0.00 0.00 179.97 179.43 2wkj h ALA 124 N 1.44 0.77 -0.29 0.04 0.00 -0.72 -1.38 119.26 119.12 2wkj h ALA 124 Ca 0.36 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2wkj h ALA 124 Cb -0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2wkj h ALA 124 CO -0.10 0.66 -0.50 0.82 0.00 0.00 0.00 179.25 180.13 2wkj h ILE 125 N 0.78 1.28 -0.78 0.00 2.04 -1.00 -2.51 117.51 117.33 2wkj h ILE 125 Ca 0.10 -1.69 0.01 0.00 1.00 0.00 0.00 64.86 64.28 2wkj h ILE 125 Cb 0.77 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 2wkj h ILE 125 CO 0.06 0.55 0.52 0.40 0.00 0.00 0.00 178.15 179.68 2wkj h ILE 126 N 0.64 1.20 -0.18 -0.67 2.04 -0.90 0.90 117.51 120.54 2wkj h ILE 126 Ca 0.03 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.54 2wkj h ILE 126 Cb 1.08 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2wkj h ILE 126 CO 0.11 0.19 0.05 -0.78 0.00 0.00 0.00 178.15 177.72 2wkj h ASP 127 N 1.06 0.05 0.33 1.72 3.58 -1.10 -2.63 116.42 119.42 2wkj h ASP 127 Ca 0.29 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.69 2wkj h ASP 127 Cb -0.12 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2wkj h ASP 127 CO -0.06 0.05 -0.32 0.28 -2.88 0.00 0.00 179.24 176.31 2wkj h SER 128 N 0.13 0.00 0.51 2.28 0.02 -1.00 -2.30 113.55 113.19 2wkj h SER 128 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2wkj h SER 128 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2wkj h SER 128 CO -0.09 0.32 0.00 0.00 -1.14 0.00 0.00 176.83 175.92 2wkj h ALA 129 N 1.68 1.00 -6.12 3.77 0.00 -0.46 -3.32 119.26 115.82 2wkj h ALA 129 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 2wkj h ALA 129 Cb 0.57 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.41 2wkj h ALA 129 CO 0.04 0.00 -0.81 -3.47 0.00 0.00 0.00 179.25 175.01 2wkj n ASP 130 N -2.62 -2.08 0.00 0.00 2.03 -0.87 -2.07 116.55 110.95 2wkj n ASP 130 Ca -0.00 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.51 2wkj n ASP 130 Cb 0.18 -4.07 0.00 0.00 -0.72 0.00 0.00 41.12 36.50 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 -1.60 2.50 3.70 0.27 0.00 -1.26 -5.07 105.19 103.71 2wkj n GLY 131 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 4.34 0.77 0.99 1.02 -0.88 -4.99 118.68 119.94 2wkj s LEU 132 Ca 0.00 2.28 -0.14 0.00 0.02 0.00 0.00 54.13 56.29 2wkj s LEU 132 Cb 0.00 -3.57 0.06 0.00 0.02 0.00 0.00 46.19 42.70 2wkj s LEU 132 CO 0.00 -0.76 1.22 -2.16 0.02 0.00 0.00 176.35 174.67 2wkj s PRO 133 N 2.16 1.86 -0.16 1.29 0.04 -1.26 -4.62 135.00 134.32 2wkj s PRO 133 Ca 0.67 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 63.43 2wkj s PRO 133 Cb -0.35 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2wkj s PRO 133 CO 0.29 -2.05 0.09 1.41 0.04 0.00 0.00 177.00 176.78 2wkj s MET 134 N -4.00 3.74 -0.47 4.56 1.75 0.04 -1.22 119.30 123.71 2wkj s MET 134 Ca 0.74 -0.27 -0.14 0.00 -1.25 0.00 0.00 55.69 54.78 2wkj s MET 134 Cb -0.30 -3.19 0.08 0.00 2.84 0.00 0.00 34.83 34.27 2wkj s MET 134 CO 0.48 0.47 0.37 0.08 -0.65 0.00 0.00 175.02 175.77 2wkj s VAL 135 N -0.18 4.94 0.31 10.11 1.01 0.26 -0.80 120.40 136.05 2wkj s VAL 135 Ca 0.09 -1.22 -0.29 0.00 0.00 0.00 0.00 61.98 60.56 2wkj s VAL 135 Cb -0.12 -4.00 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 2wkj s VAL 135 CO 0.01 -0.60 1.47 -0.69 0.00 0.00 0.00 175.10 175.30 2wkj s VAL 136 N 1.57 2.34 -0.25 2.92 1.01 -0.69 -2.84 120.40 124.47 2wkj s VAL 136 Ca 0.04 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.35 2wkj s VAL 136 Cb -0.25 -3.20 0.06 0.00 0.00 0.00 0.00 36.38 32.99 2wkj s VAL 136 CO 0.05 0.06 -0.10 -0.47 0.00 0.00 0.00 175.10 174.63 2wkj s TYR 137 N -0.51 3.01 -0.27 5.22 5.04 -0.99 -4.33 117.35 124.51 2wkj s TYR 137 Ca 0.57 -2.12 -0.07 0.00 -2.44 0.00 0.00 57.07 53.00 2wkj s TYR 137 Cb -0.44 -1.84 -0.01 0.00 0.35 0.00 0.00 41.96 40.01 2wkj s TYR 137 CO 0.52 -0.85 0.07 1.21 -1.34 0.00 0.00 175.55 175.16 2wkj s ASN 138 N 1.19 5.08 -0.42 4.32 3.04 -1.26 -2.11 114.94 124.78 2wkj s ASN 138 Ca -0.07 -0.44 0.06 0.00 0.04 0.00 0.00 52.86 52.45 2wkj s ASN 138 Cb -0.19 -1.89 0.21 0.00 -1.54 0.00 0.00 41.25 37.84 2wkj s ASN 138 CO -0.06 -0.11 0.45 0.00 -3.04 0.00 0.00 177.10 174.34 2wkj n ILE 139 N 4.90 -0.77 0.14 -5.21 3.06 -1.26 -0.82 119.36 119.39 2wkj n ILE 139 Ca -0.16 -3.81 0.10 0.00 -2.50 0.00 0.00 62.75 56.38 2wkj n ILE 139 Cb 0.50 -1.83 0.60 0.00 0.54 0.00 0.00 39.64 39.45 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 4.77 0.12 -0.35 9.51 0.11 -1.79 -1.14 132.00 143.23 2wkj h PRO 140 Ca 0.16 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 2wkj h PRO 140 Cb 0.88 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 2wkj h PRO 140 CO 0.44 0.08 0.13 0.00 -0.21 0.00 0.00 178.00 178.44 2wkj h ALA 141 N 1.88 1.58 0.00 -0.75 0.00 -1.90 -2.70 119.26 117.38 2wkj h ALA 141 Ca 0.10 -0.10 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 2wkj h ALA 141 Cb 0.23 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2wkj h ALA 141 CO -0.01 0.33 -2.29 1.28 0.00 0.00 0.00 179.25 178.56 2wkj n LEU 142 N -4.39 0.77 0.13 0.00 4.77 -0.94 -4.60 117.00 112.74 2wkj n LEU 142 Ca 0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2wkj n LEU 142 Cb 0.14 0.13 0.11 0.00 -2.33 0.00 0.00 43.42 41.46 2wkj n LEU 142 CO 0.37 0.57 0.45 0.77 -1.33 0.00 0.00 177.39 178.21 2wkj h SER 143 N 0.00 0.00 0.00 -1.43 4.64 -1.21 -3.47 113.55 112.07 2wkj h SER 143 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2wkj h SER 143 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 2wkj h SER 143 CO -0.00 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 2wkj n GLY 144 N 0.77 0.85 3.70 -0.77 0.00 -1.02 -4.09 105.19 104.63 2wkj n GLY 144 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.56 5.15 -0.61 1.61 1.01 -1.26 -5.01 120.40 117.73 2wkj s VAL 145 Ca 0.00 0.98 0.06 0.00 0.00 0.00 0.00 61.98 63.02 2wkj s VAL 145 Cb 0.00 -3.84 0.27 0.00 0.00 0.00 0.00 36.38 32.81 2wkj s VAL 145 CO 0.00 0.26 0.78 0.29 0.00 0.00 0.00 175.10 176.44 2wkj n LYS 146 N 4.10 2.57 -1.90 2.72 5.02 -1.26 -4.49 118.16 124.92 2wkj n LYS 146 Ca -0.06 -4.62 -0.40 0.00 -2.02 0.00 0.00 58.31 51.21 2wkj n LYS 146 Cb 0.51 -2.19 0.01 0.00 -0.02 0.00 0.00 35.03 33.34 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 -2.64 4.18 0.81 -0.35 1.43 -1.26 -5.03 118.68 115.83 2wkj s LEU 147 Ca 0.42 2.83 -0.12 0.00 -1.03 0.00 0.00 54.13 56.23 2wkj s LEU 147 Cb 0.18 -3.89 0.08 0.00 0.03 0.00 0.00 46.19 42.60 2wkj s LEU 147 CO -0.05 -1.01 1.12 0.42 0.23 0.00 0.00 176.35 177.07 2wkj s THR 148 N -1.21 2.73 0.23 5.49 -4.23 -1.26 -4.86 115.64 112.53 2wkj s THR 148 Ca 0.58 0.24 -0.08 0.00 -1.18 0.00 0.00 61.69 61.24 2wkj s THR 148 Cb -0.42 -3.06 0.20 0.00 1.34 0.00 0.00 72.50 70.56 2wkj s THR 148 CO 0.54 -0.31 1.90 0.25 -0.54 0.00 0.00 174.62 176.46 2wkj h LEU 149 N -1.11 0.99 -1.02 4.79 5.85 -1.99 -0.66 115.31 122.16 2wkj h LEU 149 Ca -0.47 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2wkj h LEU 149 Cb 1.29 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 2wkj h LEU 149 CO 0.62 0.72 0.62 0.44 -0.34 0.00 0.00 178.44 180.49 2wkj h ASP 150 N 1.17 1.12 -0.53 1.25 3.45 -1.99 0.46 116.42 121.34 2wkj h ASP 150 Ca 0.31 -0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.64 2wkj h ASP 150 Cb -0.13 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.34 2wkj h ASP 150 CO -0.07 0.83 -0.02 1.56 -1.57 0.00 0.00 179.24 179.97 2wkj h GLN 151 N 1.31 0.95 -0.57 3.56 4.20 -1.76 -1.14 115.11 121.66 2wkj h GLN 151 Ca 0.35 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.75 2wkj h GLN 151 Cb -0.12 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 2wkj h GLN 151 CO -0.07 0.97 0.38 0.82 -0.67 0.00 0.00 178.83 180.26 2wkj h ILE 152 N 0.83 1.14 -0.65 2.54 2.04 -0.52 -0.66 117.51 122.24 2wkj h ILE 152 Ca 0.15 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2wkj h ILE 152 Cb 0.56 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2wkj h ILE 152 CO 0.03 0.14 0.43 0.78 0.00 0.00 0.00 178.15 179.53 2wkj h ASN 153 N 0.77 0.73 -0.45 1.72 2.35 -0.52 -0.24 115.58 119.94 2wkj h ASN 153 Ca 0.21 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 2wkj h ASN 153 Cb -0.09 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 2wkj h ASN 153 CO -0.05 0.53 0.09 0.74 -1.65 0.00 0.00 177.43 177.09 2wkj h THR 154 N 0.87 1.24 -0.28 2.81 2.02 -0.89 -2.86 112.91 115.81 2wkj h THR 154 Ca 0.24 -0.87 0.02 0.00 0.77 0.00 0.00 66.41 66.57 2wkj h THR 154 Cb -0.08 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2wkj h THR 154 CO -0.06 0.31 0.13 -0.07 0.37 0.00 0.00 175.52 176.20 2wkj h LEU 155 N 0.61 0.19 0.00 2.58 3.38 -0.60 -2.72 115.31 118.74 2wkj h LEU 155 Ca 0.14 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2wkj h LEU 155 Cb 0.36 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2wkj h LEU 155 CO 0.01 0.15 0.00 1.33 0.09 0.00 0.00 178.44 180.01 2wkj n VAL 156 N -4.98 0.13 -0.15 1.22 0.24 -0.15 -2.29 118.33 112.36 2wkj n VAL 156 Ca -0.01 0.03 0.08 0.00 -2.04 0.00 0.00 64.34 62.40 2wkj n VAL 156 Cb 0.08 -0.59 0.19 0.00 -1.47 0.00 0.00 33.84 32.05 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 -1.28 0.89 -1.71 3.34 -2.24 -1.04 -4.77 114.28 107.47 2wkj n THR 157 Ca 0.13 -0.94 -0.41 0.00 -2.27 0.00 0.00 64.05 60.55 2wkj n THR 157 Cb 0.21 0.59 0.01 0.00 -2.10 0.00 0.00 70.33 69.04 2wkj n THR 157 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wkj n LEU 158 N 0.89 4.07 -4.64 3.22 4.77 -0.97 -4.90 117.00 119.44 2wkj n LEU 158 Ca 0.15 1.15 -0.48 0.00 -0.03 0.00 0.00 56.01 56.80 2wkj n LEU 158 Cb 0.48 -1.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.00 2wkj n LEU 158 CO 0.11 -0.48 1.08 -2.65 -1.33 0.00 0.00 177.39 174.12 2wkj n PRO 159 N 0.21 1.76 0.00 3.23 -0.02 -1.26 -1.74 135.00 137.17 2wkj n PRO 159 Ca 0.05 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2wkj n PRO 159 Cb 0.39 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 3.06 1.46 3.67 -1.23 0.00 -1.26 -5.00 105.19 105.89 2wkj n GLY 160 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.38 4.87 -0.72 1.61 1.01 -0.71 -0.78 120.40 123.29 2wkj s VAL 161 Ca 0.00 1.65 0.07 0.00 0.00 0.00 0.00 61.98 63.70 2wkj s VAL 161 Cb 0.00 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.25 2wkj s VAL 161 CO 0.00 0.01 0.58 0.61 0.00 0.00 0.00 175.10 176.30 2wkj n GLY 162 N 3.48 -0.36 3.57 4.51 0.00 0.02 -4.44 105.19 111.96 2wkj n GLY 162 Ca 0.05 -0.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.94 -1.84 0.00 4.61 0.00 -1.14 -3.88 121.76 118.56 2wkj s ALA 163 Ca 0.07 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2wkj s ALA 163 Cb 0.06 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.57 2wkj s ALA 163 CO 0.15 -0.76 0.00 -0.11 0.00 0.00 0.00 175.76 175.04 2wkj n LEU 164 N -0.28 0.00 0.00 0.00 7.94 -0.21 -1.70 117.00 122.74 2wkj n LEU 164 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 2wkj n LEU 164 Cb 0.61 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.56 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 -2.78 1.96 -0.06 -0.23 -0.71 117.38 115.56 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 4.29 -3.80 1.69 -1.04 -0.00 -1.67 114.28 113.75 2wkj n THR 167 Ca 0.00 -4.65 -0.13 0.00 -2.04 0.00 0.00 64.05 57.24 2wkj n THR 167 Cb 0.00 -2.43 -0.11 0.00 -1.82 0.00 0.00 70.33 65.97 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 2.23 -0.19 0.00 8.00 0.15 -1.26 -4.02 113.70 118.61 2wkj s SER 168 Ca 0.42 0.28 0.14 0.00 0.70 0.00 0.00 55.95 57.50 2wkj s SER 168 Cb 0.01 0.42 0.44 0.00 -1.71 0.00 0.00 66.02 65.17 2wkj s SER 168 CO 0.00 -0.22 1.35 0.61 1.20 0.00 0.00 173.24 176.19 2wkj n GLY 169 N 2.32 0.76 3.48 9.45 0.00 -1.26 -4.76 105.19 115.18 2wkj n GLY 169 Ca -0.16 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.13 6.34 0.00 1.61 -1.08 -1.26 -4.85 116.67 116.29 2wkj s ASP 170 Ca 0.28 -1.26 0.28 0.00 -0.52 0.00 0.00 52.55 51.33 2wkj s ASP 170 Cb 0.15 -2.45 1.13 0.00 -1.46 0.00 0.00 42.92 40.28 2wkj s ASP 170 CO 0.20 -1.40 1.82 0.18 0.52 0.00 0.00 175.17 176.49 2wkj n LEU 171 N 7.79 0.27 0.03 -1.34 4.77 -1.26 -1.63 117.00 125.64 2wkj n LEU 171 Ca 0.10 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.14 2wkj n LEU 171 Cb 0.48 -0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 2wkj n LEU 171 CO 0.62 0.06 0.69 0.22 -1.33 0.00 0.00 177.39 177.64 2wkj h TYR 172 N 0.21 -0.06 -0.88 -1.77 3.20 -1.98 -2.74 116.97 112.95 2wkj h TYR 172 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2wkj h TYR 172 Cb 0.42 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 2wkj h TYR 172 CO 0.00 0.26 0.50 0.37 -1.64 0.00 0.00 178.16 177.65 2wkj h GLN 173 N -0.39 1.22 -0.53 1.82 4.15 -1.90 -0.01 115.11 119.48 2wkj h GLN 173 Ca -0.01 -0.13 0.09 0.00 0.77 0.00 0.00 58.65 59.37 2wkj h GLN 173 Cb 0.35 -0.25 -0.07 0.00 0.21 0.00 0.00 27.48 27.72 2wkj h GLN 173 CO 0.01 0.87 0.12 1.98 -1.93 0.00 0.00 178.83 179.89 2wkj h MET 174 N 1.22 0.26 -0.61 1.69 4.05 -1.34 -0.00 114.93 120.20 2wkj h MET 174 Ca 0.31 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.63 2wkj h MET 174 Cb -0.01 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 2wkj h MET 174 CO -0.05 0.17 0.06 1.49 0.23 0.00 0.00 176.91 178.81 2wkj h GLU 175 N 0.27 1.04 -0.67 0.39 4.22 -1.04 -2.06 114.58 116.72 2wkj h GLU 175 Ca 0.27 -0.30 -0.06 0.00 0.08 0.00 0.00 59.36 59.34 2wkj h GLU 175 Cb 0.36 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2wkj h GLU 175 CO -0.33 0.99 0.18 1.96 -2.18 0.00 0.00 179.01 179.63 2wkj h GLN 176 N 0.95 1.05 -0.27 1.92 4.20 -0.35 0.05 115.11 122.67 2wkj h GLN 176 Ca 0.18 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2wkj h GLN 176 Cb 0.49 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2wkj h GLN 176 CO 0.02 0.92 0.11 0.82 -0.67 0.00 0.00 178.83 180.03 2wkj h ILE 177 N 1.01 1.17 -0.91 2.54 2.04 -0.79 -1.33 117.51 121.24 2wkj h ILE 177 Ca 0.22 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2wkj h ILE 177 Cb 0.33 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 2wkj h ILE 177 CO -0.00 0.18 0.53 -0.09 0.00 0.00 0.00 178.15 178.76 2wkj h ARG 178 N 0.28 1.25 -0.56 2.37 9.65 -0.93 -0.80 114.38 125.65 2wkj h ARG 178 Ca 0.09 -0.13 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 2wkj h ARG 178 Cb 0.18 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 2wkj h ARG 178 CO -0.01 0.89 0.08 -0.09 2.80 0.00 0.00 179.97 183.64 2wkj h ARG 179 N 1.26 0.93 -0.06 0.20 2.43 -0.74 -2.88 114.38 115.52 2wkj h ARG 179 Ca 0.32 -0.26 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 2wkj h ARG 179 Cb -0.02 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2wkj h ARG 179 CO -0.06 0.90 -0.65 1.49 -1.51 0.00 0.00 179.97 180.14 2wkj h GLU 180 N 0.82 0.25 -2.83 0.20 4.57 -1.03 -3.39 114.58 113.18 2wkj h GLU 180 Ca 0.17 -0.19 -0.61 0.00 -1.18 0.00 0.00 59.36 57.55 2wkj h GLU 180 Cb 0.43 0.03 -0.41 0.00 -0.16 0.00 0.00 28.75 28.64 2wkj h GLU 180 CO 0.01 0.81 -0.69 0.72 -1.18 0.00 0.00 179.01 178.69 2wkj n HIS 181 N -3.84 2.09 0.30 0.92 8.25 -0.32 -4.97 115.22 117.64 2wkj n HIS 181 Ca -0.03 -4.02 0.15 0.00 -0.26 0.00 0.00 57.72 53.56 2wkj n HIS 181 Cb 0.65 -0.38 0.91 0.00 1.12 0.00 0.00 29.99 32.29 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 5.36 0.00 -0.01 -0.41 0.13 -1.73 -2.25 132.00 133.08 2wkj h PRO 182 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2wkj h PRO 182 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2wkj h PRO 182 CO 0.63 0.01 -0.51 -0.25 -0.23 0.00 0.00 178.00 177.65 2wkj n ASP 183 N -3.80 1.85 -4.74 1.44 8.00 -1.26 -4.98 116.55 113.06 2wkj n ASP 183 Ca -0.03 -1.43 -0.41 0.00 0.71 0.00 0.00 54.79 53.63 2wkj n ASP 183 Cb 0.10 0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.46 4.43 -0.01 0.64 2.96 -0.85 -4.46 118.68 118.94 2wkj s LEU 184 Ca 0.16 2.31 -0.30 0.00 -0.22 0.00 0.00 54.13 56.08 2wkj s LEU 184 Cb 0.17 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 43.20 2wkj s LEU 184 CO 0.57 -0.46 1.45 -0.69 -1.32 0.00 0.00 176.35 175.90 2wkj s VAL 185 N 0.12 3.64 -0.26 1.68 1.01 -1.25 -4.91 120.40 120.43 2wkj s VAL 185 Ca 0.55 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 63.52 2wkj s VAL 185 Cb -0.34 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.47 2wkj s VAL 185 CO 0.37 -0.02 0.06 -0.22 0.00 0.00 0.00 175.10 175.30 2wkj s LEU 186 N 2.64 1.77 -0.20 3.92 2.96 -1.26 -1.05 118.68 127.47 2wkj s LEU 186 Ca 0.65 -1.27 -0.17 0.00 -0.22 0.00 0.00 54.13 53.12 2wkj s LEU 186 Cb -0.32 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 2wkj s LEU 186 CO 0.27 -0.36 0.47 -0.31 -1.32 0.00 0.00 176.35 175.10 2wkj s TYR 187 N 1.72 3.38 0.11 5.38 2.02 0.11 -1.46 117.35 128.62 2wkj s TYR 187 Ca 0.04 0.72 -0.31 0.00 -0.37 0.00 0.00 57.07 57.15 2wkj s TYR 187 Cb -0.17 -2.61 -0.08 0.00 -0.40 0.00 0.00 41.96 38.70 2wkj s TYR 187 CO -0.18 -0.05 1.43 1.21 -1.57 0.00 0.00 175.55 176.39 2wkj s ASN 188 N 1.08 6.78 -0.03 2.29 2.47 -0.05 -1.07 114.94 126.42 2wkj s ASN 188 Ca 0.22 2.36 0.17 0.00 0.42 0.00 0.00 52.86 56.03 2wkj s ASN 188 Cb -0.15 -2.58 -0.26 0.00 -1.45 0.00 0.00 41.25 36.80 2wkj s ASN 188 CO 0.09 -0.69 0.35 0.61 -3.72 0.00 0.00 177.10 173.74 2wkj n GLY 189 N 3.57 -0.78 3.50 1.21 0.00 -0.67 -1.90 105.19 110.12 2wkj n GLY 189 Ca 0.12 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.13 3.13 0.41 1.61 2.02 -1.26 -4.75 117.35 115.39 2wkj s TYR 190 Ca -0.06 -0.21 0.11 0.00 -0.37 0.00 0.00 57.07 56.54 2wkj s TYR 190 Cb 0.11 -3.05 0.88 0.00 -0.40 0.00 0.00 41.96 39.49 2wkj s TYR 190 CO 0.71 -0.74 1.96 -0.44 -1.57 0.00 0.00 175.55 175.47 2wkj h ASP 191 N 8.75 0.18 0.00 2.29 5.19 -1.90 -2.30 116.42 128.64 2wkj h ASP 191 Ca -0.26 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 2wkj h ASP 191 Cb 1.11 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.57 2wkj h ASP 191 CO 0.83 0.30 0.00 -0.46 -3.12 0.00 0.00 179.24 176.79 2wkj n ASN 192 N -4.32 0.00 -0.26 6.45 0.23 -1.26 -2.29 115.26 113.80 2wkj n ASN 192 Ca -0.01 -1.16 0.04 0.00 -0.53 0.00 0.00 54.58 52.91 2wkj n ASN 192 Cb 0.23 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.98 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 -0.83 0.77 -0.05 1.53 -5.35 -0.87 -4.95 119.36 109.61 2wkj n ILE 193 Ca 0.14 -0.91 -0.08 0.00 -0.27 0.00 0.00 62.75 61.63 2wkj n ILE 193 Cb 0.06 0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 38.21 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 -0.63 -0.35 4.28 3.57 -1.43 0.22 116.94 122.61 2wkj h PHE 194 Ca 0.00 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.57 2wkj h PHE 194 Cb 1.16 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 2wkj h PHE 194 CO 0.05 -0.31 0.14 0.00 -2.23 0.00 0.00 178.31 175.95 2wkj h ALA 195 N 0.82 0.41 -0.03 2.41 0.00 -1.93 -0.74 119.26 120.20 2wkj h ALA 195 Ca 0.14 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2wkj h ALA 195 Cb 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2wkj h ALA 195 CO -0.39 -0.25 -0.29 0.77 0.00 0.00 0.00 179.25 179.09 2wkj h SER 196 N 0.29 0.06 -0.39 0.00 0.02 -1.64 -1.87 113.55 110.02 2wkj h SER 196 Ca 0.15 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 2wkj h SER 196 Cb 0.11 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2wkj h SER 196 CO -0.14 0.35 -0.09 1.23 -1.14 0.00 0.00 176.83 177.04 2wkj h GLY 197 N 0.91 0.82 1.00 -3.77 0.00 0.22 -1.34 103.07 100.91 2wkj h GLY 197 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.67 2wkj h GLY 197 CO 0.04 0.61 0.30 1.41 0.00 0.00 0.00 176.54 178.90 2wkj h LEU 198 N 0.56 0.53 -1.30 3.11 3.38 -0.98 -1.21 115.31 119.40 2wkj h LEU 198 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2wkj h LEU 198 Cb 0.61 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2wkj h LEU 198 CO 0.04 0.39 0.22 0.25 0.09 0.00 0.00 178.44 179.44 2wkj h LEU 199 N 0.62 0.63 -1.36 1.67 5.85 -1.18 -0.92 115.31 120.62 2wkj h LEU 199 Ca 0.17 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2wkj h LEU 199 Cb -0.06 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2wkj h LEU 199 CO -0.04 0.56 -0.23 0.00 -0.34 0.00 0.00 178.44 178.39 2wkj h ALA 200 N 1.54 1.13 0.00 1.25 0.00 -0.88 -3.47 119.26 118.84 2wkj h ALA 200 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wkj h ALA 200 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wkj h ALA 200 CO -0.02 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.93 2wkj n GLY 201 N -0.16 0.52 3.73 0.00 0.00 -0.35 -3.49 105.19 105.44 2wkj n GLY 201 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2wkj n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkj n ALA 202 N 0.00 1.44 -0.91 4.61 0.00 -0.52 -4.86 120.51 120.27 2wkj n ALA 202 Ca 0.00 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.64 2wkj n ALA 202 Cb 0.00 -2.33 0.16 0.00 0.00 0.00 0.00 19.45 17.28 2wkj n ALA 202 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wkj n ASP 203 N -1.03 2.77 0.00 0.00 5.68 -0.53 -4.37 116.55 119.08 2wkj n ASP 203 Ca 0.11 -2.93 0.00 0.00 -0.50 0.00 0.00 54.79 51.48 2wkj n ASP 203 Cb 0.45 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 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 -1.01 -0.90 3.48 6.12 0.00 -1.19 -3.94 105.19 107.74 2wkj n GLY 204 Ca 0.16 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.55 -0.07 -0.02 0.00 -0.45 -0.87 107.32 105.36 2wkj s GLY 205 Ca 0.00 0.94 0.01 0.00 0.00 0.00 0.00 44.72 45.67 2wkj s GLY 205 CO 0.00 0.46 -0.09 -0.42 0.00 0.00 0.00 173.10 173.05 2wkj s ILE 206 N -2.77 0.95 -0.02 0.90 1.01 -0.80 -1.08 121.20 119.38 2wkj s ILE 206 Ca -0.01 -0.33 -0.26 0.00 0.00 0.00 0.00 60.65 60.05 2wkj s ILE 206 Cb -0.01 -0.91 0.06 0.00 0.01 0.00 0.00 42.46 41.61 2wkj s ILE 206 CO -0.05 0.32 0.56 -0.83 0.00 0.00 0.00 174.94 174.94 2wkj s GLY 207 N 1.00 -0.45 0.20 6.18 0.00 -1.12 -4.32 107.32 108.81 2wkj s GLY 207 Ca -0.09 0.94 -0.06 0.00 0.00 0.00 0.00 44.72 45.51 2wkj s GLY 207 CO -0.00 0.63 1.62 1.48 0.00 0.00 0.00 173.10 176.83 2wkj h SER 208 N 3.15 0.88 0.82 1.64 4.64 -1.89 -0.87 113.55 121.94 2wkj h SER 208 Ca -0.28 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2wkj h SER 208 Cb 1.16 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2wkj h SER 208 CO 0.40 1.05 0.00 0.35 -0.87 0.00 0.00 176.83 177.75 2wkj n THR 209 N -4.12 0.21 0.31 2.95 -2.24 -1.26 -2.59 114.28 107.53 2wkj n THR 209 Ca 0.01 0.05 0.18 0.00 -2.27 0.00 0.00 64.05 62.02 2wkj n THR 209 Cb 0.42 -0.61 0.98 0.00 -2.10 0.00 0.00 70.33 69.02 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 -0.32 4.78 -1.99 -1.87 -1.89 116.97 115.67 2wkj h TYR 210 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2wkj h TYR 210 Cb 0.41 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.13 2wkj h TYR 210 CO 0.00 0.03 0.19 -0.91 -0.00 0.00 0.00 178.16 177.46 2wkj h ASN 211 N 0.00 0.38 0.00 3.88 2.35 -1.73 -0.80 115.58 119.66 2wkj h ASN 211 Ca -0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2wkj h ASN 211 Cb 0.13 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2wkj h ASN 211 CO 0.00 0.30 -1.34 2.30 -1.65 0.00 0.00 177.43 177.05 2wkj n ILE 212 N -4.46 0.00 -2.66 2.81 -5.35 -0.76 -4.78 119.36 104.16 2wkj n ILE 212 Ca 0.02 -0.28 -0.02 0.00 -0.27 0.00 0.00 62.75 62.20 2wkj n ILE 212 Cb 0.09 0.47 0.10 0.00 -1.74 0.00 0.00 39.64 38.55 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 -1.78 1.33 0.22 6.28 0.00 -0.93 -4.95 117.12 117.29 2wkj n MET 213 Ca -0.01 -1.73 0.07 0.00 0.00 0.00 0.00 57.70 56.04 2wkj n MET 213 Cb 0.34 -0.03 0.61 0.00 0.00 0.00 0.00 33.22 34.14 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 1.29 0.08 1.53 3.17 0.00 -1.31 -0.13 103.07 107.70 2wkj h GLY 214 Ca -0.38 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 46.98 2wkj h GLY 214 CO -0.11 0.03 0.18 0.11 0.00 0.00 0.00 176.54 176.75 2wkj h TRP 215 N 0.08 0.00 -0.47 5.60 0.09 -1.85 -1.80 115.95 117.61 2wkj h TRP 215 Ca 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 58.89 58.88 2wkj h TRP 215 Cb -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.22 2wkj h TRP 215 CO -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.35 2wkj h ARG 216 N 0.00 0.92 -0.34 0.12 3.08 -1.40 -0.75 114.38 116.02 2wkj h ARG 216 Ca 0.10 -0.36 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 2wkj h ARG 216 Cb 0.45 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2wkj h ARG 216 CO -0.00 1.02 -0.31 1.88 -1.07 0.00 0.00 179.97 181.49 2wkj h TYR 217 N 0.81 0.96 -0.74 3.04 0.05 -1.44 -0.58 116.97 119.07 2wkj h TYR 217 Ca 0.12 -0.28 0.02 0.00 0.05 0.00 0.00 58.73 58.63 2wkj h TYR 217 Cb 0.73 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.22 2wkj h TYR 217 CO 0.04 1.06 0.49 1.96 -1.05 0.00 0.00 178.16 180.67 2wkj h GLN 218 N 0.59 0.93 -0.38 4.88 1.08 -1.37 -1.45 115.11 119.38 2wkj h GLN 218 Ca 0.06 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2wkj h GLN 218 Cb 0.89 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 2wkj h GLN 218 CO 0.08 0.61 -0.02 0.78 -0.95 0.00 0.00 178.83 179.33 2wkj h GLY 219 N 0.96 0.67 0.90 3.46 0.00 -0.49 -1.67 103.07 106.89 2wkj h GLY 219 Ca 0.28 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 2wkj h GLY 219 CO -0.07 0.39 -0.18 -2.22 0.00 0.00 0.00 176.54 174.46 2wkj h ILE 220 N 0.58 1.30 -0.43 2.60 2.04 -0.39 -0.28 117.51 122.93 2wkj h ILE 220 Ca 0.12 -1.31 0.08 0.00 1.00 0.00 0.00 64.86 64.75 2wkj h ILE 220 Cb 0.40 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.97 2wkj h ILE 220 CO 0.02 0.41 0.02 0.58 0.00 0.00 0.00 178.15 179.18 2wkj h VAL 221 N 0.34 0.70 -0.33 1.67 2.07 -0.99 -1.33 116.25 118.37 2wkj h VAL 221 Ca 0.05 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 2wkj h VAL 221 Cb 0.72 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2wkj h VAL 221 CO 0.05 0.02 -0.01 0.50 0.02 0.00 0.00 177.57 178.16 2wkj h LYS 222 N 0.14 0.60 -0.50 1.57 3.64 -1.24 -2.35 116.57 118.42 2wkj h LYS 222 Ca 0.21 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2wkj h LYS 222 Cb 0.30 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2wkj h LYS 222 CO -0.33 0.73 0.28 0.00 -2.27 0.00 0.00 179.45 177.86 2wkj h ALA 223 N 0.85 0.64 -0.62 5.00 0.00 -0.80 -1.48 119.26 122.85 2wkj h ALA 223 Ca 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2wkj h ALA 223 Cb 0.46 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2wkj h ALA 223 CO 0.02 0.16 0.31 -0.07 0.00 0.00 0.00 179.25 179.67 2wkj h LEU 224 N 0.67 0.80 -1.27 0.00 3.38 -1.19 0.19 115.31 117.89 2wkj h LEU 224 Ca 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2wkj h LEU 224 Cb 0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2wkj h LEU 224 CO -0.03 0.69 0.26 0.50 0.09 0.00 0.00 178.44 179.95 2wkj h LYS 225 N 0.85 0.76 -0.15 1.13 3.64 -1.08 -2.13 116.57 119.59 2wkj h LYS 225 Ca 0.22 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2wkj h LYS 225 Cb 0.09 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2wkj h LYS 225 CO -0.03 0.59 0.00 0.39 -2.27 0.00 0.00 179.45 178.13 2wkj n GLU 226 N -4.37 1.79 -1.55 1.90 1.02 -0.59 -4.92 120.64 113.93 2wkj n GLU 226 Ca 0.05 -1.18 -0.07 0.00 -0.02 0.00 0.00 57.16 55.93 2wkj n GLU 226 Cb 0.13 -1.42 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 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 1.17 0.63 3.26 0.62 0.00 -0.72 -4.96 105.19 105.19 2wkj n GLY 227 Ca 0.17 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 2wkj n GLY 227 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wkj n ASP 228 N 0.74 5.67 -0.14 1.61 -0.08 0.59 -4.84 116.55 120.09 2wkj n ASP 228 Ca -0.08 -3.12 -0.10 0.00 -1.51 0.00 0.00 54.79 49.98 2wkj n ASP 228 Cb 0.36 -1.39 0.03 0.00 2.34 0.00 0.00 41.12 42.47 2wkj n ASP 228 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2wkj h ILE 229 N 3.73 1.27 -0.69 5.18 2.04 -1.93 -2.28 117.51 124.84 2wkj h ILE 229 Ca 0.22 -1.33 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 2wkj h ILE 229 Cb 0.80 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 2wkj h ILE 229 CO 1.16 0.46 0.17 1.56 0.00 0.00 0.00 178.15 181.50 2wkj h GLN 230 N 0.82 1.10 -0.50 2.37 4.20 -1.96 0.14 115.11 121.27 2wkj h GLN 230 Ca 0.11 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 2wkj h GLN 230 Cb 0.74 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2wkj h GLN 230 CO 0.06 0.96 0.26 1.15 -0.67 0.00 0.00 178.83 180.59 2wkj h THR 231 N 1.04 1.18 -0.45 -0.54 2.02 -1.91 -0.06 112.91 114.19 2wkj h THR 231 Ca 0.22 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 66.95 2wkj h THR 231 Cb 0.36 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2wkj h THR 231 CO 0.00 0.20 0.24 0.00 0.37 0.00 0.00 175.52 176.33 2wkj h ALA 232 N 1.10 0.56 -0.32 6.16 0.00 -0.96 -1.18 119.26 124.63 2wkj h ALA 232 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wkj h ALA 232 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2wkj h ALA 232 CO -0.03 -0.09 0.19 1.96 0.00 0.00 0.00 179.25 181.28 2wkj h GLN 233 N 0.49 0.43 -0.67 0.00 4.20 -0.68 -1.11 115.11 117.78 2wkj h GLN 233 Ca 0.19 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 2wkj h GLN 233 Cb 0.06 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 2wkj h GLN 233 CO -0.11 0.34 0.19 0.87 -0.67 0.00 0.00 178.83 179.45 2wkj h LYS 234 N 0.41 1.04 -0.28 1.46 1.79 -0.79 0.55 116.57 120.74 2wkj h LYS 234 Ca 0.11 -0.22 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 2wkj h LYS 234 Cb 0.02 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 2wkj h LYS 234 CO -0.02 0.90 0.10 -0.07 -1.08 0.00 0.00 179.45 179.28 2wkj h LEU 235 N 0.99 0.40 -0.75 2.94 3.38 -1.04 -0.85 115.31 120.39 2wkj h LEU 235 Ca 0.22 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2wkj h LEU 235 Cb 0.31 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2wkj h LEU 235 CO -0.00 0.48 0.48 -0.61 0.09 0.00 0.00 178.44 178.87 2wkj h GLN 236 N 0.30 0.92 -0.52 1.13 5.75 -0.85 0.06 115.11 121.90 2wkj h GLN 236 Ca 0.09 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.57 2wkj h GLN 236 Cb 0.21 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 2wkj h GLN 236 CO -0.01 0.61 0.29 1.15 -2.65 0.00 0.00 178.83 178.22 2wkj h THR 237 N 0.95 1.00 -0.61 2.39 2.02 -0.66 0.85 112.91 118.85 2wkj h THR 237 Ca 0.29 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 2wkj h THR 237 Cb -0.02 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 2wkj h THR 237 CO -0.10 0.10 0.16 -0.33 0.37 0.00 0.00 175.52 175.73 2wkj h GLU 238 N 0.56 0.98 -0.96 6.66 4.39 -0.59 -0.89 114.58 124.73 2wkj h GLU 238 Ca 0.22 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2wkj h GLU 238 Cb 0.09 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 2wkj h GLU 238 CO -0.13 0.88 0.59 0.00 -1.16 0.00 0.00 179.01 179.19 2wkj h ASN 240 N 1.32 0.00 -0.79 0.00 -0.26 -0.25 0.07 115.58 115.67 2wkj h ASN 240 Ca 0.34 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 56.10 2wkj h ASN 240 Cb -0.08 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.14 2wkj h ASN 240 CO -0.07 0.64 0.52 0.11 -1.06 0.00 0.00 177.43 177.57 2wkj h LYS 241 N 0.00 1.03 -0.29 0.81 1.57 -0.96 0.11 116.57 118.84 2wkj h LYS 241 Ca -0.01 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 2wkj h LYS 241 Cb 1.14 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 2wkj h LYS 241 CO 0.08 0.68 -0.12 0.28 -0.57 0.00 0.00 179.45 179.80 2wkj h VAL 242 N 1.06 1.29 -0.63 0.50 2.07 -1.11 -3.09 116.25 116.34 2wkj h VAL 242 Ca 0.29 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 2wkj h VAL 242 Cb -0.10 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2wkj h VAL 242 CO -0.07 0.38 0.25 0.40 0.02 0.00 0.00 177.57 178.55 2wkj h ILE 243 N 0.35 1.22 -0.61 4.57 2.04 -0.63 -0.17 117.51 124.29 2wkj h ILE 243 Ca 0.07 -0.69 0.11 0.00 1.00 0.00 0.00 64.86 65.34 2wkj h ILE 243 Cb 0.63 0.47 -0.08 0.00 -0.74 0.00 0.00 36.82 37.10 2wkj h ILE 243 CO 0.04 0.28 0.17 0.44 0.00 0.00 0.00 178.15 179.08 2wkj h ASP 244 N 0.90 0.10 -0.27 1.72 3.32 -0.75 0.48 116.42 121.93 2wkj h ASP 244 Ca 0.21 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 2wkj h ASP 244 Cb 0.17 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2wkj h ASP 244 CO -0.02 0.06 -0.02 0.25 -1.72 0.00 0.00 179.24 177.80 2wkj h LEU 245 N 0.32 0.48 -1.08 1.55 5.85 -1.25 -2.67 115.31 118.51 2wkj h LEU 245 Ca 0.31 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2wkj h LEU 245 Cb 0.44 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2wkj h LEU 245 CO -0.36 0.69 0.03 -0.07 -0.34 0.00 0.00 178.44 178.38 2wkj h LEU 246 N 0.26 0.64 -0.89 2.25 3.38 -0.30 -0.88 115.31 119.78 2wkj h LEU 246 Ca 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2wkj h LEU 246 Cb 0.45 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2wkj h LEU 246 CO 0.02 0.70 0.47 0.40 0.09 0.00 0.00 178.44 180.12 2wkj h ILE 247 N 0.65 1.26 -0.63 1.22 2.04 -0.87 -0.06 117.51 121.12 2wkj h ILE 247 Ca 0.14 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2wkj h ILE 247 Cb 0.36 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 2wkj h ILE 247 CO 0.01 0.30 0.41 0.50 0.00 0.00 0.00 178.15 179.37 2wkj h LYS 248 N 1.25 0.83 0.00 2.37 3.64 -1.00 -3.18 116.57 120.47 2wkj h LYS 248 Ca 0.31 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2wkj h LYS 248 Cb 0.05 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2wkj h LYS 248 CO -0.05 0.56 -0.37 1.79 -2.27 0.00 0.00 179.45 179.11 2wkj h THR 249 N 0.85 0.00 -0.08 1.00 1.35 -0.90 -3.49 112.91 111.63 2wkj h THR 249 Ca 0.23 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2wkj h THR 249 Cb -0.09 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2wkj h THR 249 CO -0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 2wkj n GLY 250 N 1.14 0.83 0.14 5.82 0.00 -0.07 -4.68 105.19 108.36 2wkj n GLY 250 Ca 0.03 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 0.89 -0.35 1.61 2.07 -1.75 -0.32 116.25 118.41 2wkj h VAL 251 Ca 0.00 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 2wkj h VAL 251 Cb 0.00 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2wkj h VAL 251 CO 0.00 0.20 0.12 -0.26 0.02 0.00 0.00 177.57 177.66 2wkj h PHE 252 N -0.77 0.55 -0.09 1.57 0.04 -1.95 -0.35 116.94 115.93 2wkj h PHE 252 Ca -0.02 -0.05 -0.12 0.00 2.80 0.00 0.00 57.97 60.58 2wkj h PHE 252 Cb 0.52 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 2wkj h PHE 252 CO 0.07 0.52 -0.47 0.07 -0.60 0.00 0.00 178.31 177.90 2wkj h ARG 253 N 0.42 0.23 -0.47 1.51 0.11 -1.88 -0.50 114.38 113.79 2wkj h ARG 253 Ca 0.11 -0.12 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 2wkj h ARG 253 Cb 0.22 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.29 2wkj h ARG 253 CO -0.01 0.65 0.07 0.78 0.10 0.00 0.00 179.97 181.56 2wkj h GLY 254 N 1.31 0.84 0.98 0.08 0.00 -0.74 -0.14 103.07 105.40 2wkj h GLY 254 Ca 0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 2wkj h GLY 254 CO 0.07 0.52 0.14 1.41 0.00 0.00 0.00 176.54 178.69 2wkj h LEU 255 N 0.64 0.26 -1.13 3.11 3.38 -0.80 -0.47 115.31 120.31 2wkj h LEU 255 Ca 0.14 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2wkj h LEU 255 Cb 0.40 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 2wkj h LEU 255 CO 0.01 0.22 0.60 0.11 0.09 0.00 0.00 178.44 179.47 2wkj h LYS 256 N 0.28 1.07 -0.34 1.13 1.57 -0.99 -0.94 116.57 118.34 2wkj h LYS 256 Ca 0.08 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2wkj h LYS 256 Cb 0.00 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2wkj h LYS 256 CO -0.02 0.71 -0.01 1.15 -0.57 0.00 0.00 179.45 180.71 2wkj h THR 257 N 1.10 1.26 -0.38 -0.16 2.02 -0.64 0.20 112.91 116.31 2wkj h THR 257 Ca 0.37 -1.00 0.06 0.00 0.77 0.00 0.00 66.41 66.61 2wkj h THR 257 Cb 0.09 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 2wkj h THR 257 CO -0.13 0.33 0.07 0.58 0.37 0.00 0.00 175.52 176.75 2wkj h VAL 258 N 0.42 0.80 -0.26 3.16 2.07 -0.83 -1.23 116.25 120.37 2wkj h VAL 258 Ca 0.10 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 2wkj h VAL 258 Cb 0.48 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2wkj h VAL 258 CO 0.02 0.04 0.02 -0.07 0.02 0.00 0.00 177.57 177.59 2wkj h LEU 259 N 0.19 0.35 -0.33 2.57 3.38 -0.90 -0.70 115.31 119.88 2wkj h LEU 259 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2wkj h LEU 259 Cb 0.22 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2wkj h LEU 259 CO -0.24 0.40 0.17 -0.74 0.09 0.00 0.00 178.44 178.11 2wkj h HIS 260 N 0.38 0.46 0.00 1.13 2.76 -0.36 -0.04 115.15 119.48 2wkj h HIS 260 Ca 0.09 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2wkj h HIS 260 Cb 0.23 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.04 2wkj h HIS 260 CO 0.01 0.39 0.00 1.88 -1.30 0.00 0.00 177.93 178.91 2wkj h TYR 261 N 0.40 0.00 -0.25 5.26 0.05 -0.47 -1.71 116.97 120.24 2wkj h TYR 261 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2wkj h TYR 261 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 2wkj h TYR 261 CO -0.02 0.00 0.00 -1.33 -1.05 0.00 0.00 178.16 175.76 2wkj n MET 262 N -2.81 1.78 -1.89 4.88 2.81 -0.34 -4.90 117.12 116.66 2wkj n MET 262 Ca 0.01 -1.19 -0.13 0.00 -1.81 0.00 0.00 57.70 54.58 2wkj n MET 262 Cb 0.28 -1.35 -0.03 0.00 -0.71 0.00 0.00 33.22 31.42 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 0.43 -4.18 -0.13 7.83 8.00 -0.64 -4.92 116.55 122.94 2wkj n ASP 263 Ca 0.14 0.12 -0.25 0.00 0.71 0.00 0.00 54.79 55.51 2wkj n ASP 263 Cb 0.32 -3.14 -0.10 0.00 -0.02 0.00 0.00 41.12 38.18 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 -3.46 1.47 -3.95 2.53 0.31 -0.06 -4.95 118.33 110.23 2wkj n VAL 264 Ca -0.14 -0.44 -0.35 0.00 -0.01 0.00 0.00 64.34 63.39 2wkj n VAL 264 Cb 0.53 -1.69 -0.13 0.00 -0.91 0.00 0.00 33.84 31.64 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 -2.50 3.98 0.15 2.52 1.01 -1.10 -4.60 120.40 119.86 2wkj s VAL 265 Ca -0.36 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 2wkj s VAL 265 Cb 0.12 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.70 2wkj s VAL 265 CO 0.52 0.40 1.62 0.28 0.00 0.00 0.00 175.10 177.91 2wkj h SER 266 N 7.80 0.82 -3.25 3.32 0.02 -1.91 -3.35 113.55 117.00 2wkj h SER 266 Ca -0.38 -0.29 -0.48 0.00 -0.84 0.00 0.00 61.79 59.81 2wkj h SER 266 Cb 1.17 -0.22 -0.38 0.00 0.14 0.00 0.00 62.40 63.11 2wkj h SER 266 CO 0.60 0.90 -0.77 -0.69 -1.14 0.00 0.00 176.83 175.73 2wkj s VAL 267 N -5.09 0.54 -0.23 2.27 1.01 -1.26 -5.03 120.40 112.61 2wkj s VAL 267 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2wkj s VAL 267 Cb 0.11 -0.78 0.22 0.00 0.00 0.00 0.00 36.38 35.94 2wkj s VAL 267 CO 0.81 0.14 1.74 -0.81 0.00 0.00 0.00 175.10 176.98 2wkj n PRO 268 N 5.08 1.61 -3.35 2.72 -0.04 -1.26 -4.48 135.00 135.28 2wkj n PRO 268 Ca -0.09 -1.28 -0.36 0.00 -0.04 0.00 0.00 63.50 61.73 2wkj n PRO 268 Cb 0.49 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.46 4.39 0.44 1.53 1.43 -1.26 -4.42 118.68 119.34 2wkj s LEU 269 Ca 0.25 1.11 -0.00 0.00 -1.03 0.00 0.00 54.13 54.46 2wkj s LEU 269 Cb 0.20 -3.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 2wkj s LEU 269 CO 0.02 0.15 0.67 0.00 0.23 0.00 0.00 176.35 177.42 2wkj s ARG 271 N -4.55 4.30 0.29 0.00 0.52 -1.26 -4.81 118.95 113.43 2wkj s ARG 271 Ca 0.48 1.32 -0.30 0.00 -0.52 0.00 0.00 55.73 56.71 2wkj s ARG 271 Cb -0.10 -2.49 -0.12 0.00 0.52 0.00 0.00 34.95 32.76 2wkj s ARG 271 CO 0.38 0.01 1.50 1.63 0.02 0.00 0.00 175.30 178.84 2wkj n LYS 272 N -0.10 2.44 -0.17 3.54 4.76 -1.26 -1.35 118.16 126.02 2wkj n LYS 272 Ca 0.05 0.87 0.09 0.00 -2.87 0.00 0.00 58.31 56.44 2wkj n LYS 272 Cb 0.51 -2.59 0.26 0.00 -1.84 0.00 0.00 35.03 31.37 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 1.85 1.96 -1.70 1.97 -0.04 -1.26 -5.06 135.00 132.71 2wkj n PRO 273 Ca 0.09 -1.47 -0.43 0.00 -0.04 0.00 0.00 63.50 61.64 2wkj n PRO 273 Cb 0.35 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.69 2.55 -2.53 0.54 3.72 -0.46 -5.01 117.46 116.96 2wkj n PHE 274 Ca 0.15 0.23 -0.24 0.00 -0.05 0.00 0.00 57.45 57.55 2wkj n PHE 274 Cb 0.38 -2.58 0.13 0.00 -0.94 0.00 0.00 39.48 36.46 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 3.00 0.40 3.79 1.37 0.00 -1.26 -4.71 105.19 107.78 2wkj n GLY 275 Ca 0.13 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 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 -5.18 1.24 0.25 1.61 0.04 -1.26 -4.78 135.00 126.92 2wkj s PRO 276 Ca 0.67 0.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 2wkj s PRO 276 Cb -0.04 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 2wkj s PRO 276 CO 0.45 -2.14 1.28 0.08 0.04 0.00 0.00 177.00 176.71 2wkj s VAL 277 N -3.27 3.11 0.21 -0.36 1.01 -1.26 -4.97 120.40 114.87 2wkj s VAL 277 Ca 0.63 0.99 -0.32 0.00 0.00 0.00 0.00 61.98 63.28 2wkj s VAL 277 Cb -0.15 -3.63 -0.13 0.00 0.00 0.00 0.00 36.38 32.48 2wkj s VAL 277 CO 0.53 0.18 1.63 -0.67 0.00 0.00 0.00 175.10 176.78 2wkj n ASP 278 N 1.92 3.56 0.08 3.32 -0.08 -1.26 -4.86 116.55 119.22 2wkj n ASP 278 Ca 0.03 1.09 0.17 0.00 -1.51 0.00 0.00 54.79 54.57 2wkj n ASP 278 Cb 0.43 -1.51 0.69 0.00 2.34 0.00 0.00 41.12 43.07 2wkj n ASP 278 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2wkj h GLU 279 N 5.98 0.00 0.00 -0.67 4.39 -2.03 -1.03 114.58 121.23 2wkj h GLU 279 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2wkj h GLU 279 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2wkj h GLU 279 CO 0.89 0.00 0.00 1.57 -1.16 0.00 0.00 179.01 180.31 2wkj h LYS 280 N 0.00 0.00 -0.00 2.33 2.10 -2.04 -2.30 116.57 116.66 2wkj h LYS 280 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 2wkj h LYS 280 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2wkj h LYS 280 CO -0.00 0.00 -0.61 0.66 -2.00 0.00 0.00 179.45 177.49 2wkj n TYR 281 N -2.69 0.00 -0.29 0.07 4.01 -0.39 -4.46 117.16 113.42 2wkj n TYR 281 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.70 2wkj n TYR 281 Cb 0.21 -0.12 0.07 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.48 0.93 -0.80 7.72 3.38 -1.51 -1.81 115.31 123.70 2wkj h LEU 282 Ca 0.00 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2wkj h LEU 282 Cb 0.53 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2wkj h LEU 282 CO 0.00 0.71 0.49 -0.65 0.09 0.00 0.00 178.44 179.08 2wkj h PRO 283 N 1.07 0.88 -0.65 1.13 0.11 -1.79 0.32 132.00 133.07 2wkj h PRO 283 Ca 0.28 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 2wkj h PRO 283 Cb -0.06 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.83 2wkj h PRO 283 CO -0.05 0.58 0.06 0.93 -0.21 0.00 0.00 178.00 179.30 2wkj h GLU 284 N 0.90 1.10 -0.55 1.05 5.08 -1.74 -1.19 114.58 119.22 2wkj h GLU 284 Ca 0.35 -0.32 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 2wkj h GLU 284 Cb 0.15 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2wkj h GLU 284 CO -0.16 1.03 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.73 2wkj h LEU 285 N 1.01 1.03 -0.41 1.33 3.38 -0.73 -0.88 115.31 120.04 2wkj h LEU 285 Ca 0.19 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2wkj h LEU 285 Cb 0.50 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2wkj h LEU 285 CO 0.02 1.12 0.13 0.50 0.09 0.00 0.00 178.44 180.30 2wkj h LYS 286 N 0.91 0.64 -0.69 1.13 3.64 -0.81 -0.84 116.57 120.55 2wkj h LYS 286 Ca 0.15 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2wkj h LYS 286 Cb 0.65 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 2wkj h LYS 286 CO 0.04 0.63 0.36 0.00 -2.27 0.00 0.00 179.45 178.22 2wkj h ALA 287 N 0.98 1.33 -0.36 5.00 0.00 -1.10 -0.87 119.26 124.23 2wkj h ALA 287 Ca 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2wkj h ALA 287 Cb 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wkj h ALA 287 CO -0.00 0.54 0.07 1.25 0.00 0.00 0.00 179.25 181.11 2wkj h LEU 288 N 0.97 0.56 -0.51 0.00 5.85 -0.91 -0.25 115.31 121.03 2wkj h LEU 288 Ca 0.24 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2wkj h LEU 288 Cb 0.05 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 2wkj h LEU 288 CO -0.04 0.66 0.24 0.00 -0.34 0.00 0.00 178.44 178.96 2wkj h ALA 289 N 0.92 0.65 -0.53 1.25 0.00 -0.71 -0.12 119.26 120.71 2wkj h ALA 289 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wkj h ALA 289 Cb 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2wkj h ALA 289 CO 0.00 -0.13 0.34 1.96 0.00 0.00 0.00 179.25 181.43 2wkj h GLN 290 N 0.46 0.71 -0.01 0.00 4.20 -0.86 -0.27 115.11 119.34 2wkj h GLN 290 Ca 0.23 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.91 2wkj h GLN 290 Cb 0.18 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2wkj h GLN 290 CO -0.19 0.49 -0.08 0.37 -0.67 0.00 0.00 178.83 178.75 2wkj h GLN 291 N 0.72 -0.13 -0.52 1.46 4.15 -0.57 -1.17 115.11 119.05 2wkj h GLN 291 Ca 0.19 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.55 2wkj h GLN 291 Cb -0.05 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 2wkj h GLN 291 CO -0.04 -0.09 0.05 -0.07 -1.93 0.00 0.00 178.83 176.75 2wkj h LEU 292 N -0.14 0.80 -0.93 -2.39 3.38 -0.88 -0.87 115.31 114.28 2wkj h LEU 292 Ca 0.04 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 2wkj h LEU 292 Cb 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2wkj h LEU 292 CO -0.09 0.84 -0.33 0.24 0.09 0.00 0.00 178.44 179.19 2wkj h MET 293 N 0.79 0.38 -0.45 1.13 2.86 -0.86 -2.09 114.93 116.70 2wkj h MET 293 Ca 0.16 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 2wkj h MET 293 Cb 0.41 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2wkj h MET 293 CO 0.01 0.67 -0.26 0.37 1.06 0.00 0.00 176.91 178.76 2wkj h GLN 294 N 0.33 0.95 -0.05 1.72 5.75 -0.75 -2.83 115.11 120.22 2wkj h GLN 294 Ca 0.04 -0.43 -0.03 0.00 -0.15 0.00 0.00 58.65 58.09 2wkj h GLN 294 Cb 0.74 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 2wkj h GLN 294 CO 0.06 1.09 -0.09 1.49 -2.65 0.00 0.00 178.83 178.73 2wkj h GLU 295 N 0.81 0.07 -0.00 1.69 4.81 -0.88 -3.51 114.58 117.56 2wkj h GLU 295 Ca 0.10 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2wkj h GLU 295 Cb 0.84 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2wkj h GLU 295 CO 0.07 0.17 0.00 0.54 -0.73 0.00 0.00 179.01 179.06