#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 0.16 -0.00 4.41 -0.00 -1.95 -2.12 115.15 115.65 2wkj h HIS 0 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2wkj h HIS 0 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 2wkj h HIS 0 CO 0.00 0.12 -0.01 -2.39 -0.00 0.00 0.00 177.93 175.65 2wkj n HIS 1 N -4.50 0.00 -0.04 2.45 -0.00 -1.26 -2.80 115.22 109.06 2wkj n HIS 1 Ca -0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.77 2wkj n HIS 1 Cb 0.10 -0.21 0.14 0.00 -0.00 0.00 0.00 29.99 30.01 2wkj n HIS 1 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wkj n ALA 2 N -1.19 2.25 -0.32 1.59 0.00 -0.80 -4.71 120.51 117.33 2wkj n ALA 2 Ca 0.17 -1.04 0.30 0.00 0.00 0.00 0.00 53.44 52.87 2wkj n ALA 2 Cb 0.21 -0.46 0.55 0.00 0.00 0.00 0.00 19.45 19.76 2wkj n ALA 2 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2wkj h THR 3 N 2.22 0.03 0.00 0.00 2.02 -1.55 0.16 112.91 115.79 2wkj h THR 3 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2wkj h THR 3 Cb 0.70 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2wkj h THR 3 CO 0.00 0.01 0.00 -0.46 0.37 0.00 0.00 175.52 175.44 2wkj n ASN 4 N -5.26 0.00 -0.13 4.18 6.94 -1.26 -1.31 115.26 118.42 2wkj n ASN 4 Ca 0.36 0.33 0.13 0.00 -0.02 0.00 0.00 54.58 55.38 2wkj n ASN 4 Cb 1.21 -0.36 0.44 0.00 -2.36 0.00 0.00 39.78 38.71 2wkj n ASN 4 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wkj n LEU 5 N -1.36 0.64 -4.77 -4.53 4.77 0.55 -4.92 117.00 107.38 2wkj n LEU 5 Ca 0.01 -0.05 -0.39 0.00 -0.03 0.00 0.00 56.01 55.55 2wkj n LEU 5 Cb 0.03 -0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2wkj n LEU 5 CO 0.03 0.13 0.95 -0.60 -1.33 0.00 0.00 177.39 176.56 2wkj s ARG 6 N -2.65 3.89 0.00 3.23 3.52 -0.43 -4.89 118.95 121.62 2wkj s ARG 6 Ca 0.22 2.11 0.00 0.00 -0.13 0.00 0.00 55.73 57.93 2wkj s ARG 6 Cb 0.19 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.90 2wkj s ARG 6 CO 0.55 -0.54 0.00 0.41 -0.81 0.00 0.00 175.30 174.90 2wkj n GLY 7 N 0.65 0.51 3.19 8.12 0.00 -1.25 -5.06 105.19 111.35 2wkj n GLY 7 Ca 0.05 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.52 3.32 -0.09 1.61 1.01 -1.26 -1.34 120.40 121.12 2wkj s VAL 8 Ca 0.00 -1.45 0.04 0.00 0.00 0.00 0.00 61.98 60.57 2wkj s VAL 8 Cb 0.00 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 2wkj s VAL 8 CO 0.00 -0.26 -0.24 -0.04 0.00 0.00 0.00 175.10 174.56 2wkj s MET 9 N 1.28 2.94 0.22 2.72 -1.94 -0.28 -1.47 119.30 122.76 2wkj s MET 9 Ca -0.01 -0.87 -0.30 0.00 -1.71 0.00 0.00 55.69 52.80 2wkj s MET 9 Cb -0.20 -2.26 -0.08 0.00 2.01 0.00 0.00 34.83 34.29 2wkj s MET 9 CO -0.00 0.21 1.14 0.00 -0.01 0.00 0.00 175.02 176.35 2wkj s ALA 10 N 0.27 3.41 -0.73 3.03 0.00 -0.77 -2.78 121.76 124.18 2wkj s ALA 10 Ca -0.17 0.90 -0.25 0.00 0.00 0.00 0.00 51.96 52.44 2wkj s ALA 10 Cb -0.17 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.62 2wkj s ALA 10 CO 0.08 -0.26 1.19 0.00 0.00 0.00 0.00 175.76 176.78 2wkj s ALA 11 N -0.49 2.86 0.21 0.00 0.00 -0.33 -0.55 121.76 123.46 2wkj s ALA 11 Ca 0.49 -1.56 -0.31 0.00 0.00 0.00 0.00 51.96 50.59 2wkj s ALA 11 Cb -0.32 -4.15 -0.10 0.00 0.00 0.00 0.00 23.12 18.55 2wkj s ALA 11 CO 0.38 -3.15 1.50 -1.17 0.00 0.00 0.00 175.76 173.32 2wkj s LEU 12 N 5.19 4.38 0.49 0.00 2.96 -0.19 -4.55 118.68 126.96 2wkj s LEU 12 Ca 0.32 2.66 -0.20 0.00 -0.22 0.00 0.00 54.13 56.69 2wkj s LEU 12 Cb -0.10 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 2wkj s LEU 12 CO 0.12 -0.77 1.03 -0.76 -1.32 0.00 0.00 176.35 174.65 2wkj s LEU 13 N 0.30 3.81 -0.39 -0.68 1.43 -1.26 -3.00 118.68 118.90 2wkj s LEU 13 Ca 0.64 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 55.51 2wkj s LEU 13 Cb -0.43 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.27 2wkj s LEU 13 CO 0.38 -0.77 0.23 -0.89 0.23 0.00 0.00 176.35 175.53 2wkj s THR 14 N -2.07 4.64 0.31 5.49 2.01 -1.26 -4.93 115.64 119.83 2wkj s THR 14 Ca 0.66 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 61.47 2wkj s THR 14 Cb -0.15 -3.62 -0.10 0.00 0.01 0.00 0.00 72.50 68.64 2wkj s THR 14 CO 0.21 -0.28 1.29 -2.84 -0.69 0.00 0.00 174.62 172.31 2wkj s PRO 15 N 1.56 4.39 0.31 4.92 0.02 -1.26 -4.98 135.00 139.95 2wkj s PRO 15 Ca 0.02 2.16 0.06 0.00 0.02 0.00 0.00 61.00 63.26 2wkj s PRO 15 Cb -0.20 -3.10 -0.06 0.00 0.02 0.00 0.00 34.50 31.16 2wkj s PRO 15 CO 0.07 -0.16 -0.02 -0.06 -0.33 0.00 0.00 177.00 176.50 2wkj s PHE 16 N -0.95 2.01 0.37 6.54 0.08 -1.26 -1.54 117.98 123.23 2wkj s PHE 16 Ca 0.50 -0.77 0.04 0.00 0.12 0.00 0.00 56.93 56.82 2wkj s PHE 16 Cb -0.39 -1.23 0.04 0.00 -0.57 0.00 0.00 43.02 40.88 2wkj s PHE 16 CO 0.50 0.21 0.36 -0.40 -0.10 0.00 0.00 175.22 175.79 2wkj n ASP 17 N -0.65 1.91 0.31 1.36 5.68 -0.07 -4.47 116.55 120.62 2wkj n ASP 17 Ca -0.04 -2.18 0.19 0.00 -0.50 0.00 0.00 54.79 52.26 2wkj n ASP 17 Cb 0.65 -0.12 0.95 0.00 -1.14 0.00 0.00 41.12 41.46 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 -0.05 0.11 1.08 -1.93 -0.56 115.11 113.76 2wkj h GLN 18 Ca -0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 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 0.33 0.02 0.00 1.04 -0.95 0.00 0.00 178.83 179.27 2wkj n GLN 19 N -3.19 1.66 -1.00 1.46 1.13 -1.26 -4.90 117.38 111.28 2wkj n GLN 19 Ca -0.02 -0.97 0.00 0.00 -1.94 0.00 0.00 57.00 54.08 2wkj n GLN 19 Cb 0.18 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.07 2wkj n GLN 19 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2wkj n GLN 20 N 0.18 -0.40 -2.07 -1.09 6.02 -0.22 -5.03 117.38 114.76 2wkj n GLN 20 Ca 0.18 0.10 -0.32 0.00 -0.01 0.00 0.00 57.00 56.96 2wkj n GLN 20 Cb 0.34 -3.40 -0.01 0.00 1.02 0.00 0.00 30.24 28.19 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 -1.84 3.04 0.30 -1.58 0.00 -1.26 -4.70 121.76 115.72 2wkj s ALA 21 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 2wkj s ALA 21 Cb 0.00 -3.11 -0.13 0.00 0.00 0.00 0.00 23.12 19.88 2wkj s ALA 21 CO 0.00 -0.55 1.36 1.28 0.00 0.00 0.00 175.76 177.85 2wkj n LEU 22 N -2.26 3.46 -4.19 0.00 4.77 -1.26 -0.89 117.00 116.63 2wkj n LEU 22 Ca 0.06 1.18 -0.40 0.00 -0.03 0.00 0.00 56.01 56.82 2wkj n LEU 22 Cb 0.54 -1.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.08 2wkj n LEU 22 CO 0.53 -0.42 0.07 -0.62 -1.33 0.00 0.00 177.39 175.61 2wkj s ASP 23 N -0.01 5.73 0.21 -1.43 -1.08 -0.59 -4.70 116.67 114.81 2wkj s ASP 23 Ca 0.61 -2.33 -0.01 0.00 -0.52 0.00 0.00 52.55 50.30 2wkj s ASP 23 Cb -0.59 -1.99 0.19 0.00 -1.46 0.00 0.00 42.92 39.06 2wkj s ASP 23 CO 0.56 -0.57 1.55 0.11 0.52 0.00 0.00 175.17 177.34 2wkj h LYS 24 N 7.90 0.48 -0.57 4.34 1.57 -1.93 -2.09 116.57 126.26 2wkj h LYS 24 Ca -0.09 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 2wkj h LYS 24 Cb 1.03 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 2wkj h LYS 24 CO 0.79 0.88 0.31 0.00 -0.57 0.00 0.00 179.45 180.86 2wkj h ALA 25 N 1.07 0.73 -0.12 3.86 0.00 -1.98 -2.01 119.26 120.80 2wkj h ALA 25 Ca 0.01 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2wkj h ALA 25 Cb 1.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2wkj h ALA 25 CO 0.09 0.25 -0.48 0.77 0.00 0.00 0.00 179.25 179.89 2wkj h SER 26 N 0.77 0.33 -0.10 0.00 0.02 -1.82 -2.05 113.55 110.70 2wkj h SER 26 Ca 0.20 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2wkj h SER 26 Cb 0.05 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2wkj h SER 26 CO -0.03 0.76 -0.04 0.25 -1.14 0.00 0.00 176.83 176.63 2wkj h LEU 27 N 0.25 -0.13 -0.59 5.07 5.85 -1.14 0.14 115.31 124.76 2wkj h LEU 27 Ca 0.01 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2wkj h LEU 27 Cb 0.93 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 2wkj h LEU 27 CO 0.08 -0.05 0.36 0.03 -0.34 0.00 0.00 178.44 178.51 2wkj h ARG 28 N -0.03 0.68 -0.90 1.25 3.08 -1.20 -1.04 114.38 116.23 2wkj h ARG 28 Ca 0.05 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2wkj h ARG 28 Cb 0.10 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 2wkj h ARG 28 CO -0.11 0.45 0.50 0.00 -1.07 0.00 0.00 179.97 179.74 2wkj h ARG 29 N 0.70 1.25 -0.33 0.04 3.08 -1.03 -1.36 114.38 116.73 2wkj h ARG 29 Ca 0.24 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 60.01 2wkj h ARG 29 Cb 0.02 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 2wkj h ARG 29 CO -0.10 0.91 -0.34 1.25 -1.07 0.00 0.00 179.97 180.62 2wkj h LEU 30 N 1.26 0.78 -0.12 3.04 5.85 -0.22 -0.08 115.31 125.82 2wkj h LEU 30 Ca 0.32 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2wkj h LEU 30 Cb 0.01 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2wkj h LEU 30 CO -0.05 1.05 0.07 0.58 -0.34 0.00 0.00 178.44 179.74 2wkj h VAL 31 N 0.62 1.02 -0.54 1.05 2.07 -0.85 -1.76 116.25 117.85 2wkj h VAL 31 Ca 0.06 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 2wkj h VAL 31 Cb 0.87 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2wkj h VAL 31 CO 0.08 0.03 0.04 1.56 0.02 0.00 0.00 177.57 179.29 2wkj h GLN 32 N 0.14 0.90 -0.66 1.57 1.08 -1.05 -1.61 115.11 115.47 2wkj h GLN 32 Ca 0.04 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 57.00 2wkj h GLN 32 Cb -0.01 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 2wkj h GLN 32 CO -0.02 0.87 0.41 0.35 -0.95 0.00 0.00 178.83 179.49 2wkj h PHE 33 N 0.84 0.86 -0.46 2.96 3.57 -0.81 -1.34 116.94 122.56 2wkj h PHE 33 Ca 0.17 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2wkj h PHE 33 Cb 0.44 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2wkj h PHE 33 CO 0.03 0.57 0.12 -0.91 -2.23 0.00 0.00 178.31 175.89 2wkj h ASN 34 N 0.90 0.70 -0.31 0.41 2.35 -0.98 -2.18 115.58 116.47 2wkj h ASN 34 Ca 0.24 -0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2wkj h ASN 34 Cb -0.05 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 2wkj h ASN 34 CO -0.05 0.74 0.06 0.40 -1.65 0.00 0.00 177.43 176.93 2wkj h ILE 35 N 0.62 0.85 0.00 2.81 2.04 -0.92 -1.42 117.51 121.49 2wkj h ILE 35 Ca 0.15 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2wkj h ILE 35 Cb 0.31 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2wkj h ILE 35 CO 0.00 0.03 -0.03 1.56 0.00 0.00 0.00 178.15 179.71 2wkj h GLN 36 N 0.17 0.00 0.00 2.37 4.20 -0.98 -0.97 115.11 119.89 2wkj h GLN 36 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2wkj h GLN 36 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2wkj h GLN 36 CO -0.19 0.03 0.00 1.96 -0.67 0.00 0.00 178.83 179.96 2wkj h GLN 37 N 0.00 0.00 0.00 1.46 4.20 -0.61 -3.46 115.11 116.70 2wkj h GLN 37 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wkj h GLN 37 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2wkj h GLN 37 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2wkj n GLY 38 N -0.15 0.62 3.76 3.46 0.00 -0.37 -4.46 105.19 108.05 2wkj n GLY 38 Ca 0.01 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 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 2.43 0.00 -0.61 1.10 -1.19 -4.92 121.20 116.02 2wkj s ILE 39 Ca 0.00 0.32 0.17 0.00 -0.51 0.00 0.00 60.65 60.63 2wkj s ILE 39 Cb 0.00 -3.16 0.10 0.00 0.15 0.00 0.00 42.46 39.55 2wkj s ILE 39 CO 0.00 -0.01 1.59 0.44 -2.11 0.00 0.00 174.94 174.85 2wkj h ASP 40 N 1.61 0.00 -5.91 4.50 3.32 -1.63 -3.47 116.42 114.84 2wkj h ASP 40 Ca -0.50 0.00 0.38 0.00 0.02 0.00 0.00 57.03 56.93 2wkj h ASP 40 Cb 1.28 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.76 2wkj h ASP 40 CO 0.58 0.44 0.97 -0.83 -1.72 0.00 0.00 179.24 178.67 2wkj s GLY 41 N -4.41 -0.17 -0.02 2.75 0.00 -1.23 -1.47 107.32 102.76 2wkj s GLY 41 Ca 0.02 0.09 0.05 0.00 0.00 0.00 0.00 44.72 44.88 2wkj s GLY 41 CO 0.71 6.41 -0.17 1.08 0.00 0.00 0.00 173.10 181.14 2wkj s LEU 42 N -3.91 1.98 -0.33 0.66 1.43 -0.12 -1.85 118.68 116.55 2wkj s LEU 42 Ca 0.31 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 2wkj s LEU 42 Cb -0.00 -0.89 0.02 0.00 0.03 0.00 0.00 46.19 45.35 2wkj s LEU 42 CO -0.02 0.18 0.13 -0.47 0.23 0.00 0.00 176.35 176.40 2wkj s TYR 43 N -0.22 3.20 -0.11 0.29 5.04 0.28 -0.91 117.35 124.92 2wkj s TYR 43 Ca 0.03 -1.03 -0.02 0.00 -2.44 0.00 0.00 57.07 53.61 2wkj s TYR 43 Cb -0.08 -2.32 -0.03 0.00 0.35 0.00 0.00 41.96 39.88 2wkj s TYR 43 CO 0.00 -0.61 -0.05 0.08 -1.34 0.00 0.00 175.55 173.63 2wkj s VAL 44 N 1.50 3.82 -1.05 3.14 1.01 0.08 -1.03 120.40 127.87 2wkj s VAL 44 Ca 0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 2wkj s VAL 44 Cb -0.18 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.58 2wkj s VAL 44 CO 0.04 0.55 0.17 0.61 0.00 0.00 0.00 175.10 176.46 2wkj n GLY 45 N 2.89 -0.13 0.00 4.51 0.00 -1.26 -0.69 105.19 110.51 2wkj n GLY 45 Ca -0.18 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.11 -0.42 0.24 -0.02 0.00 -1.26 -4.39 105.19 98.23 2wkj n GLY 46 Ca -0.12 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.64 -0.04 1.61 0.02 -1.96 -1.65 113.55 110.88 2wkj h SER 47 Ca 0.00 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2wkj h SER 47 Cb 0.00 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2wkj h SER 47 CO 0.00 -0.25 0.01 0.74 -1.14 0.00 0.00 176.83 176.19 2wkj h THR 48 N -0.22 1.06 0.00 -2.27 2.02 -1.89 -1.22 112.91 110.39 2wkj h THR 48 Ca 0.12 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2wkj h THR 48 Cb 0.41 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2wkj h THR 48 CO -0.33 0.08 0.00 0.61 0.37 0.00 0.00 175.52 176.25 2wkj n GLY 49 N -1.36 -0.90 2.88 2.16 0.00 -0.66 -4.39 105.19 102.91 2wkj n GLY 49 Ca -0.01 -0.07 -0.21 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 -0.70 -4.31 -0.30 1.61 1.02 -0.46 -4.13 120.64 113.37 2wkj n GLU 50 Ca 0.09 0.86 0.13 0.00 -0.02 0.00 0.00 57.16 58.22 2wkj n GLU 50 Cb 0.04 -5.59 0.30 0.00 -0.02 0.00 0.00 31.44 26.18 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 0.94 1.39 -0.20 0.62 0.00 -1.64 -2.64 119.26 117.73 2wkj h ALA 51 Ca -0.49 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2wkj h ALA 51 Cb 1.34 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2wkj h ALA 51 CO 0.53 -0.39 0.00 1.19 0.00 0.00 0.00 179.25 180.58 2wkj n PHE 52 N -5.11 0.26 -0.95 0.00 3.72 -1.26 -1.99 117.46 112.12 2wkj n PHE 52 Ca 0.22 -0.13 0.09 0.00 -0.05 0.00 0.00 57.45 57.58 2wkj n PHE 52 Cb 0.67 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.37 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 0.30 1.89 -4.40 -4.37 0.24 -0.99 -5.03 118.33 105.96 2wkj n VAL 53 Ca 0.15 -2.06 -0.27 0.00 -2.04 0.00 0.00 64.34 60.12 2wkj n VAL 53 Cb 0.30 -0.17 -0.11 0.00 -1.47 0.00 0.00 33.84 32.39 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 -2.69 1.63 0.72 7.34 -0.21 -0.84 -5.06 119.66 120.55 2wkj s GLN 54 Ca 0.32 -1.50 -0.11 0.00 0.02 0.00 0.00 55.36 54.09 2wkj s GLN 54 Cb 0.27 -1.90 0.03 0.00 1.00 0.00 0.00 33.01 32.41 2wkj s GLN 54 CO 0.04 0.40 1.10 -1.54 -2.12 0.00 0.00 175.29 173.17 2wkj s SER 55 N -2.76 5.23 0.21 5.90 1.04 -1.26 -4.88 113.70 117.17 2wkj s SER 55 Ca 0.22 1.00 -0.09 0.00 0.48 0.00 0.00 55.95 57.57 2wkj s SER 55 Cb -0.08 -1.74 0.25 0.00 0.10 0.00 0.00 66.02 64.55 2wkj s SER 55 CO 0.11 -1.45 1.81 -0.07 0.98 0.00 0.00 173.24 174.62 2wkj h LEU 56 N -0.71 0.57 -0.53 2.42 3.38 -1.99 -1.24 115.31 117.21 2wkj h LEU 56 Ca -0.45 0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.58 2wkj h LEU 56 Cb 1.27 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 2wkj h LEU 56 CO 0.64 0.37 0.31 -1.28 0.09 0.00 0.00 178.44 178.57 2wkj h SER 57 N 0.71 0.49 -0.25 -0.43 0.87 -1.99 0.58 113.55 113.53 2wkj h SER 57 Ca 0.30 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2wkj h SER 57 Cb 0.18 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2wkj h SER 57 CO -0.18 0.34 0.16 -0.33 -0.53 0.00 0.00 176.83 176.30 2wkj h GLU 58 N 0.61 0.33 -0.79 2.24 5.08 -1.87 -0.38 114.58 119.81 2wkj h GLU 58 Ca 0.22 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2wkj h GLU 58 Cb 0.05 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 2wkj h GLU 58 CO -0.11 0.23 0.52 0.00 -1.00 0.00 0.00 179.01 178.65 2wkj h ARG 59 N 0.33 1.04 -0.73 2.33 3.08 -0.75 -2.02 114.38 117.65 2wkj h ARG 59 Ca 0.09 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 2wkj h ARG 59 Cb -0.03 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.76 2wkj h ARG 59 CO -0.02 0.69 0.29 0.93 -1.07 0.00 0.00 179.97 180.79 2wkj h GLU 60 N 1.07 1.09 -0.74 0.04 5.08 -0.60 -1.23 114.58 119.29 2wkj h GLU 60 Ca 0.29 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2wkj h GLU 60 Cb -0.12 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 28.91 2wkj h GLU 60 CO -0.06 0.88 0.37 1.96 -1.00 0.00 0.00 179.01 181.16 2wkj h GLN 61 N 1.07 1.05 -0.17 2.33 4.20 -0.57 -0.52 115.11 122.50 2wkj h GLN 61 Ca 0.25 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2wkj h GLN 61 Cb 0.20 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2wkj h GLN 61 CO -0.02 0.81 0.05 0.28 -0.67 0.00 0.00 178.83 179.29 2wkj h VAL 62 N 1.03 1.18 -0.69 -0.54 2.07 -1.14 -2.26 116.25 115.90 2wkj h VAL 62 Ca 0.26 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.26 2wkj h VAL 62 Cb 0.10 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 2wkj h VAL 62 CO -0.03 0.17 0.41 -0.07 0.02 0.00 0.00 177.57 178.07 2wkj h LEU 63 N 0.10 0.65 -0.19 2.57 3.38 -0.91 -0.52 115.31 120.40 2wkj h LEU 63 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2wkj h LEU 63 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2wkj h LEU 63 CO -0.00 0.44 0.08 -0.08 0.09 0.00 0.00 178.44 178.97 2wkj h GLU 64 N 0.79 0.27 -0.45 1.13 4.81 -1.01 -1.52 114.58 118.59 2wkj h GLU 64 Ca 0.29 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2wkj h GLU 64 Cb 0.10 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2wkj h GLU 64 CO -0.14 0.32 0.19 0.82 -0.73 0.00 0.00 179.01 179.47 2wkj h ILE 65 N 0.16 1.20 -0.90 2.32 2.04 -1.13 -1.58 117.51 119.62 2wkj h ILE 65 Ca 0.06 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2wkj h ILE 65 Cb 0.14 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2wkj h ILE 65 CO -0.01 0.23 0.57 0.58 0.00 0.00 0.00 178.15 179.52 2wkj h VAL 66 N 0.59 1.24 -0.65 1.67 2.07 -0.90 -1.31 116.25 118.96 2wkj h VAL 66 Ca 0.15 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 2wkj h VAL 66 Cb 0.17 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 2wkj h VAL 66 CO -0.01 0.24 0.20 0.00 0.02 0.00 0.00 177.57 178.02 2wkj h ALA 67 N 1.32 1.14 -0.87 1.67 0.00 -1.07 -0.43 119.26 121.01 2wkj h ALA 67 Ca 0.33 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2wkj h ALA 67 Cb -0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.38 2wkj h ALA 67 CO -0.07 0.60 0.57 0.93 0.00 0.00 0.00 179.25 181.28 2wkj h GLU 68 N 0.95 1.10 0.00 0.00 5.08 -0.46 -0.85 114.58 120.39 2wkj h GLU 68 Ca 0.21 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 2wkj h GLU 68 Cb 0.27 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2wkj h GLU 68 CO -0.01 0.73 -0.94 0.93 -1.00 0.00 0.00 179.01 178.72 2wkj h GLU 69 N 1.13 0.01 0.00 2.33 4.39 -0.83 -3.41 114.58 118.20 2wkj h GLU 69 Ca 0.34 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.02 2wkj h GLU 69 Cb -0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2wkj h GLU 69 CO -0.10 0.94 0.00 0.00 -1.16 0.00 0.00 179.01 178.69 2wkj n ALA 70 N -2.37 0.80 -1.71 3.43 0.00 -0.21 -4.96 120.51 115.49 2wkj n ALA 70 Ca -0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 2wkj n ALA 70 Cb 0.88 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.38 2.58 0.00 0.00 4.81 -0.34 -1.22 118.16 123.61 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 0.01 -2.72 0.00 0.00 0.02 0.00 0.00 35.03 32.33 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 3.16 2.50 0.13 3.14 0.00 -1.26 -4.82 105.19 108.05 2wkj n GLY 72 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 0.68 -4.14 1.61 5.02 -0.36 -5.01 118.16 113.97 2wkj n LYS 73 Ca 0.00 0.17 -0.10 0.00 -2.02 0.00 0.00 58.31 56.36 2wkj n LYS 73 Cb 0.00 -1.57 -0.09 0.00 -0.02 0.00 0.00 35.03 33.34 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 -2.53 0.07 0.42 -0.18 -4.36 -1.16 -5.06 121.20 108.40 2wkj s ILE 74 Ca -0.30 -1.86 -0.23 0.00 -0.26 0.00 0.00 60.65 58.00 2wkj s ILE 74 Cb 0.08 -2.15 -0.09 0.00 1.25 0.00 0.00 42.46 41.56 2wkj s ILE 74 CO 0.66 -0.31 1.07 -0.54 0.24 0.00 0.00 174.94 176.06 2wkj s LYS 75 N -4.07 4.03 -0.12 0.37 -0.14 -0.54 -4.76 119.74 114.51 2wkj s LYS 75 Ca 0.27 1.54 -0.00 0.00 -1.36 0.00 0.00 55.97 56.42 2wkj s LYS 75 Cb 0.07 -2.45 0.02 0.00 -1.68 0.00 0.00 37.83 33.79 2wkj s LYS 75 CO 0.05 -0.26 -0.09 -0.51 -0.76 0.00 0.00 175.35 173.77 2wkj s LEU 76 N -2.84 1.33 -0.17 3.17 1.43 -1.26 -0.95 118.68 119.40 2wkj s LEU 76 Ca 0.60 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2wkj s LEU 76 Cb -0.22 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 2wkj s LEU 76 CO 0.28 -0.10 -0.12 -0.63 0.23 0.00 0.00 176.35 176.01 2wkj s ILE 77 N 1.61 2.93 -0.34 -0.59 1.01 -0.09 -0.61 121.20 125.12 2wkj s ILE 77 Ca 0.04 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 59.83 2wkj s ILE 77 Cb -0.13 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 2wkj s ILE 77 CO -0.08 0.50 0.52 0.00 0.00 0.00 0.00 174.94 175.87 2wkj s ALA 78 N 0.88 3.49 -0.50 9.38 0.00 -0.51 -0.74 121.76 133.76 2wkj s ALA 78 Ca -0.03 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 50.70 2wkj s ALA 78 Cb -0.15 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 20.00 2wkj s ALA 78 CO -0.00 -1.15 1.11 -1.58 0.00 0.00 0.00 175.76 174.13 2wkj s HIS 79 N 2.39 2.79 -2.35 0.00 2.46 0.13 -0.68 115.29 120.03 2wkj s HIS 79 Ca 0.19 0.57 0.19 0.00 0.47 0.00 0.00 55.06 56.49 2wkj s HIS 79 Cb -0.15 -4.37 0.16 0.00 -0.13 0.00 0.00 32.58 28.08 2wkj s HIS 79 CO 0.13 -1.31 1.11 1.33 -2.47 0.00 0.00 174.74 173.53 2wkj n VAL 80 N 6.73 0.02 -2.07 0.89 0.24 0.30 -4.64 118.33 119.80 2wkj n VAL 80 Ca 0.10 -0.51 -0.41 0.00 -2.04 0.00 0.00 64.34 61.48 2wkj n VAL 80 Cb 0.49 1.38 -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 -1.57 2.50 0.25 7.63 0.00 -1.18 -4.18 107.32 110.77 2wkj s GLY 81 Ca 0.22 1.27 0.01 0.00 0.00 0.00 0.00 44.72 46.23 2wkj s GLY 81 CO 0.24 2.16 0.10 0.00 0.00 0.00 0.00 173.10 175.60 2wkj h VAL 83 N 2.40 1.04 -3.15 0.00 2.07 -1.94 -3.43 116.25 113.24 2wkj h VAL 83 Ca -0.38 -0.09 -0.53 0.00 0.82 0.00 0.00 66.70 66.52 2wkj h VAL 83 Cb 1.25 0.75 0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2wkj h VAL 83 CO 0.59 0.05 0.66 -0.55 0.02 0.00 0.00 177.57 178.34 2wkj s SER 84 N -5.37 6.92 0.13 0.57 0.15 -1.26 -4.84 113.70 110.00 2wkj s SER 84 Ca -0.13 2.26 -0.16 0.00 0.70 0.00 0.00 55.95 58.61 2wkj s SER 84 Cb 0.09 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2wkj s SER 84 CO 0.69 -0.57 1.68 0.74 1.20 0.00 0.00 173.24 176.99 2wkj h THR 85 N 4.19 1.19 -0.82 6.45 2.02 -1.97 -2.47 112.91 121.49 2wkj h THR 85 Ca -0.43 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 2wkj h THR 85 Cb 1.21 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 2wkj h THR 85 CO 0.83 0.20 0.37 0.00 0.37 0.00 0.00 175.52 177.29 2wkj h ALA 86 N 1.00 1.11 -0.42 6.16 0.00 -1.97 0.27 119.26 125.40 2wkj h ALA 86 Ca 0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2wkj h ALA 86 Cb 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2wkj h ALA 86 CO -0.01 0.66 0.12 0.93 0.00 0.00 0.00 179.25 180.95 2wkj h GLU 87 N 1.18 0.67 -0.96 0.00 5.08 -1.95 -1.53 114.58 117.06 2wkj h GLU 87 Ca 0.28 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2wkj h GLU 87 Cb 0.15 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2wkj h GLU 87 CO -0.03 0.66 0.62 0.77 -1.00 0.00 0.00 179.01 180.03 2wkj h SER 88 N 0.55 1.12 -0.63 1.42 0.02 -0.94 -2.02 113.55 113.07 2wkj h SER 88 Ca 0.14 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2wkj h SER 88 Cb 0.28 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2wkj h SER 88 CO -0.00 0.83 0.25 1.56 -1.14 0.00 0.00 176.83 178.33 2wkj h GLN 89 N 1.32 0.95 -0.47 3.45 4.20 -0.63 -0.44 115.11 123.49 2wkj h GLN 89 Ca 0.35 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.93 2wkj h GLN 89 Cb -0.12 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.46 2wkj h GLN 89 CO -0.07 0.80 0.24 0.37 -0.67 0.00 0.00 178.83 179.49 2wkj h GLN 90 N 0.89 0.45 -0.43 1.46 4.15 -0.80 -0.36 115.11 120.47 2wkj h GLN 90 Ca 0.21 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.52 2wkj h GLN 90 Cb 0.20 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2wkj h GLN 90 CO -0.02 0.30 -0.08 -0.07 -1.93 0.00 0.00 178.83 177.03 2wkj h LEU 91 N 0.47 0.74 -0.51 -2.39 3.38 -1.04 -1.67 115.31 114.29 2wkj h LEU 91 Ca 0.21 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2wkj h LEU 91 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2wkj h LEU 91 CO -0.15 0.86 0.13 0.00 0.09 0.00 0.00 178.44 179.37 2wkj h ALA 92 N 1.22 0.67 -0.84 1.53 0.00 -0.63 -0.11 119.26 121.09 2wkj h ALA 92 Ca 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2wkj h ALA 92 Cb 0.54 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2wkj h ALA 92 CO 0.03 0.36 0.40 0.00 0.00 0.00 0.00 179.25 180.04 2wkj h ALA 93 N 1.00 1.11 -0.29 0.00 0.00 -0.83 -1.55 119.26 118.70 2wkj h ALA 93 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2wkj h ALA 93 Cb 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2wkj h ALA 93 CO 0.00 0.67 0.04 0.77 0.00 0.00 0.00 179.25 180.72 2wkj h SER 94 N 1.21 0.47 -0.90 0.00 0.02 -1.00 -1.76 113.55 111.58 2wkj h SER 94 Ca 0.29 -0.27 0.11 0.00 -0.84 0.00 0.00 61.79 61.08 2wkj h SER 94 Cb 0.13 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 2wkj h SER 94 CO -0.04 0.62 0.53 0.00 -1.14 0.00 0.00 176.83 176.81 2wkj h ALA 95 N 0.86 1.32 -0.16 3.77 0.00 -0.76 -0.17 119.26 124.12 2wkj h ALA 95 Ca 0.09 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wkj h ALA 95 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2wkj h ALA 95 CO 0.01 0.12 0.10 -0.22 0.00 0.00 0.00 179.25 179.26 2wkj h LYS 96 N 0.85 0.22 -0.69 0.00 1.63 -1.07 -1.89 116.57 115.62 2wkj h LYS 96 Ca 0.45 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.24 2wkj h LYS 96 Cb 0.45 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.00 2wkj h LYS 96 CO -0.27 0.18 0.45 0.00 -3.45 0.00 0.00 179.45 176.36 2wkj h ARG 97 N 0.19 0.89 -0.00 1.90 3.08 -0.40 -1.68 114.38 118.36 2wkj h ARG 97 Ca 0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wkj h ARG 97 Cb 0.02 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.86 2wkj h ARG 97 CO -0.01 0.59 -0.02 0.66 -1.07 0.00 0.00 179.97 180.12 2wkj n TYR 98 N -4.44 0.00 -1.83 3.04 4.01 -0.17 -4.93 117.16 112.86 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 0.05 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.72 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 1.37 0.71 3.75 2.72 0.00 -0.63 -4.88 105.19 108.23 2wkj n GLY 99 Ca 0.11 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.24 2.42 -0.15 1.61 0.40 -0.76 -4.94 117.98 114.33 2wkj s PHE 100 Ca 0.00 1.53 0.17 0.00 -0.60 0.00 0.00 56.93 58.03 2wkj s PHE 100 Cb 0.00 -3.10 -0.05 0.00 0.51 0.00 0.00 43.02 40.38 2wkj s PHE 100 CO 0.00 -2.02 1.05 -0.44 0.70 0.00 0.00 175.22 174.51 2wkj h ASP 101 N -1.29 0.00 -5.00 1.36 3.32 -1.20 -3.47 116.42 110.13 2wkj h ASP 101 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2wkj h ASP 101 Cb 1.24 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.69 2wkj h ASP 101 CO 0.51 0.48 0.20 0.00 -1.72 0.00 0.00 179.24 178.72 2wkj s ALA 102 N -2.99 -1.46 0.35 3.45 0.00 -1.04 -4.14 121.76 115.94 2wkj s ALA 102 Ca -0.00 0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.28 2wkj s ALA 102 Cb 0.08 0.87 -0.06 0.00 0.00 0.00 0.00 23.12 24.02 2wkj s ALA 102 CO 0.79 -0.84 -0.01 0.14 0.00 0.00 0.00 175.76 175.83 2wkj s VAL 103 N -3.80 2.42 -0.00 0.00 -7.23 -0.06 -1.42 120.40 110.31 2wkj s VAL 103 Ca 0.04 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.01 2wkj s VAL 103 Cb -0.02 -2.78 0.03 0.00 0.56 0.00 0.00 36.38 34.16 2wkj s VAL 103 CO -0.07 -0.17 0.37 -0.55 -0.31 0.00 0.00 175.10 174.38 2wkj s SER 104 N -3.70 -0.26 -0.12 4.85 0.15 0.15 -0.56 113.70 114.21 2wkj s SER 104 Ca 0.35 0.12 -0.06 0.00 0.70 0.00 0.00 55.95 57.06 2wkj s SER 104 Cb 0.02 0.36 0.06 0.00 -1.71 0.00 0.00 66.02 64.75 2wkj s SER 104 CO 0.19 -0.53 0.28 0.00 1.20 0.00 0.00 173.24 174.38 2wkj s ALA 105 N -1.65 -0.63 0.46 5.45 0.00 -1.11 -0.54 121.76 123.73 2wkj s ALA 105 Ca -0.11 1.05 -0.24 0.00 0.00 0.00 0.00 51.96 52.66 2wkj s ALA 105 Cb -0.03 -0.84 -0.09 0.00 0.00 0.00 0.00 23.12 22.17 2wkj s ALA 105 CO 0.03 -0.39 1.24 1.55 0.00 0.00 0.00 175.76 178.19 2wkj n VAL 106 N 4.70 2.84 -1.69 0.00 3.14 -1.26 -2.46 118.33 123.60 2wkj n VAL 106 Ca -0.17 -0.50 -0.44 0.00 -2.96 0.00 0.00 64.34 60.26 2wkj n VAL 106 Cb 0.52 -1.53 -0.04 0.00 -1.06 0.00 0.00 33.84 31.74 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 -0.47 0.25 -1.81 1.55 -2.24 -0.90 -4.78 114.28 105.86 2wkj n THR 107 Ca 0.08 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 2wkj n THR 107 Cb 0.41 -1.89 -0.00 0.00 -2.10 0.00 0.00 70.33 66.75 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 2.21 4.12 0.10 -0.78 0.04 -1.26 -4.94 135.00 134.48 2wkj s PRO 108 Ca 0.82 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.42 2wkj s PRO 108 Cb -0.58 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2wkj s PRO 108 CO 0.39 -0.53 0.03 1.97 0.04 0.00 0.00 177.00 178.91 2wkj n PHE 109 N 0.53 -0.38 0.00 0.56 -1.74 -1.26 -4.86 117.46 110.31 2wkj n PHE 109 Ca 0.01 -0.48 0.00 0.00 -0.56 0.00 0.00 57.45 56.42 2wkj n PHE 109 Cb 0.39 -0.08 0.00 0.00 1.52 0.00 0.00 39.48 41.32 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 -0.45 0.00 -2.83 2.97 4.19 -1.26 -4.82 117.16 114.96 2wkj n TYR 110 Ca -0.03 0.00 -0.40 0.00 3.31 0.00 0.00 57.90 60.78 2wkj n TYR 110 Cb 0.13 0.00 -0.05 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 3.84 0.14 2.98 2.02 -1.26 -5.01 117.35 120.05 2wkj s TYR 111 Ca 0.00 1.72 -0.31 0.00 -0.37 0.00 0.00 57.07 58.11 2wkj s TYR 111 Cb 0.00 -2.94 -0.08 0.00 -0.40 0.00 0.00 41.96 38.54 2wkj s TYR 111 CO 0.00 0.31 1.33 -2.14 -1.57 0.00 0.00 175.55 173.49 2wkj s PRO 112 N -0.39 4.36 0.15 -1.71 0.02 -1.26 -5.02 135.00 131.15 2wkj s PRO 112 Ca 0.42 2.03 0.11 0.00 0.02 0.00 0.00 61.00 63.58 2wkj s PRO 112 Cb -0.23 -3.24 -0.04 0.00 0.02 0.00 0.00 34.50 31.01 2wkj s PRO 112 CO 0.28 -0.34 -0.26 -0.06 -0.33 0.00 0.00 177.00 176.29 2wkj s PHE 113 N 0.72 2.26 0.78 6.54 0.08 -1.26 -5.14 117.98 121.96 2wkj s PHE 113 Ca 0.61 -0.38 -0.11 0.00 0.12 0.00 0.00 56.93 57.17 2wkj s PHE 113 Cb -0.36 -1.20 0.06 0.00 -0.57 0.00 0.00 43.02 40.95 2wkj s PHE 113 CO 0.33 0.37 1.08 -1.54 -0.10 0.00 0.00 175.22 175.37 2wkj s SER 114 N -2.23 4.60 0.20 1.36 1.04 -1.26 -4.84 113.70 112.57 2wkj s SER 114 Ca 0.15 1.50 -0.11 0.00 0.48 0.00 0.00 55.95 57.97 2wkj s SER 114 Cb -0.09 -2.26 0.16 0.00 0.10 0.00 0.00 66.02 63.92 2wkj s SER 114 CO 0.07 -1.92 1.84 0.15 0.98 0.00 0.00 173.24 174.36 2wkj h PHE 115 N -1.05 0.77 -0.91 5.02 3.57 -2.00 -0.96 116.94 121.37 2wkj h PHE 115 Ca -0.46 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.15 2wkj h PHE 115 Cb 1.25 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.66 2wkj h PHE 115 CO 0.52 0.45 0.56 1.49 -2.23 0.00 0.00 178.31 179.11 2wkj h GLU 116 N 0.82 0.95 -0.64 1.11 4.81 -1.99 -0.12 114.58 119.51 2wkj h GLU 116 Ca 0.26 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2wkj h GLU 116 Cb -0.00 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 2wkj h GLU 116 CO -0.10 0.63 0.19 0.93 -0.73 0.00 0.00 179.01 179.93 2wkj h GLU 117 N 0.98 0.99 -0.26 1.92 5.08 -1.69 -0.37 114.58 121.23 2wkj h GLU 117 Ca 0.42 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2wkj h GLU 117 Cb 0.29 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2wkj h GLU 117 CO -0.21 0.88 0.16 0.45 -1.00 0.00 0.00 179.01 179.29 2wkj h HIS 118 N 0.92 0.33 -0.33 4.33 3.86 -0.42 -0.97 115.15 122.88 2wkj h HIS 118 Ca 0.20 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.45 2wkj h HIS 118 Cb 0.30 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 2wkj h HIS 118 CO 0.02 0.23 0.12 0.00 0.86 0.00 0.00 177.93 179.16 2wkj h ASP 120 N 0.26 0.70 -0.13 0.00 3.32 -0.87 -0.72 116.42 118.97 2wkj h ASP 120 Ca 0.15 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.11 2wkj h ASP 120 Cb 0.12 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2wkj h ASP 120 CO -0.15 0.67 0.02 -0.74 -1.72 0.00 0.00 179.24 177.32 2wkj h HIS 121 N 0.75 0.03 -0.60 4.55 2.76 -0.77 -0.92 115.15 120.94 2wkj h HIS 121 Ca 0.17 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 2wkj h HIS 121 Cb 0.22 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 2wkj h HIS 121 CO 0.01 0.01 0.22 1.88 -1.30 0.00 0.00 177.93 178.75 2wkj h TYR 122 N 0.07 0.94 -0.70 5.26 0.05 -0.99 -1.84 116.97 119.76 2wkj h TYR 122 Ca 0.06 -0.08 0.05 0.00 0.05 0.00 0.00 58.73 58.81 2wkj h TYR 122 Cb 0.06 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 37.46 2wkj h TYR 122 CO -0.13 0.76 0.41 0.00 -1.05 0.00 0.00 178.16 178.16 2wkj h ARG 123 N 0.85 0.74 -0.39 4.88 3.08 -0.83 -0.49 114.38 122.21 2wkj h ARG 123 Ca 0.20 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 60.06 2wkj h ARG 123 Cb 0.24 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2wkj h ARG 123 CO -0.01 0.49 -0.34 0.00 -1.07 0.00 0.00 179.97 179.04 2wkj h ALA 124 N 1.35 0.66 -0.41 0.04 0.00 -0.78 -1.46 119.26 118.66 2wkj h ALA 124 Ca 0.31 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2wkj h ALA 124 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2wkj h ALA 124 CO -0.17 0.67 -0.25 0.82 0.00 0.00 0.00 179.25 180.32 2wkj h ILE 125 N 0.75 1.27 -0.63 0.00 2.04 -1.07 -2.08 117.51 117.79 2wkj h ILE 125 Ca 0.07 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 2wkj h ILE 125 Cb 0.91 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 2wkj h ILE 125 CO 0.08 0.47 0.38 0.40 0.00 0.00 0.00 178.15 179.48 2wkj h ILE 126 N 0.73 1.19 -0.28 -0.67 2.04 -0.90 0.39 117.51 120.01 2wkj h ILE 126 Ca 0.09 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.56 2wkj h ILE 126 Cb 0.80 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2wkj h ILE 126 CO 0.07 0.20 0.09 -0.78 0.00 0.00 0.00 178.15 177.72 2wkj h ASP 127 N 0.86 0.09 0.60 1.72 3.58 -1.03 -2.00 116.42 120.23 2wkj h ASP 127 Ca 0.23 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 2wkj h ASP 127 Cb -0.01 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2wkj h ASP 127 CO -0.04 0.09 -0.18 0.28 -2.88 0.00 0.00 179.24 176.51 2wkj h SER 128 N 0.21 0.00 0.82 2.28 0.02 -0.92 -2.16 113.55 113.80 2wkj h SER 128 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2wkj h SER 128 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2wkj h SER 128 CO -0.13 0.18 0.00 0.00 -1.14 0.00 0.00 176.83 175.74 2wkj n ALA 129 N -2.26 1.83 -3.92 3.77 0.00 0.09 -3.71 120.51 116.30 2wkj n ALA 129 Ca -0.01 0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.14 2wkj n ALA 129 Cb 0.33 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.98 -2.18 0.00 0.00 2.03 -0.81 -2.00 116.55 111.61 2wkj n ASP 130 Ca 0.04 -1.08 0.00 0.00 0.52 0.00 0.00 54.79 54.27 2wkj n ASP 130 Cb 0.26 -2.82 0.00 0.00 -0.72 0.00 0.00 41.12 37.84 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 -1.97 2.48 3.69 0.27 0.00 -1.26 -5.07 105.19 103.33 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 4.33 0.74 0.99 1.02 -0.85 -4.99 118.68 119.91 2wkj s LEU 132 Ca 0.00 2.16 -0.15 0.00 0.02 0.00 0.00 54.13 56.15 2wkj s LEU 132 Cb 0.00 -3.56 0.04 0.00 0.02 0.00 0.00 46.19 42.69 2wkj s LEU 132 CO 0.00 -0.71 1.24 -2.65 0.02 0.00 0.00 176.35 174.25 2wkj n PRO 133 N 5.18 0.61 -4.04 1.29 -0.02 -1.26 -4.57 135.00 132.19 2wkj n PRO 133 Ca 0.13 0.28 -0.35 0.00 -2.02 0.00 0.00 63.50 61.54 2wkj n PRO 133 Cb 0.43 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.34 2wkj n PRO 133 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2wkj s MET 134 N -3.77 3.78 -0.44 -0.52 1.75 0.01 -0.88 119.30 119.24 2wkj s MET 134 Ca 0.78 -0.32 -0.13 0.00 -1.25 0.00 0.00 55.69 54.76 2wkj s MET 134 Cb -0.33 -3.16 0.07 0.00 2.84 0.00 0.00 34.83 34.25 2wkj s MET 134 CO 0.46 0.39 0.33 0.08 -0.65 0.00 0.00 175.02 175.63 2wkj s VAL 135 N 0.03 4.87 0.29 10.11 1.01 0.27 -0.20 120.40 136.78 2wkj s VAL 135 Ca 0.06 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 2wkj s VAL 135 Cb -0.12 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 2wkj s VAL 135 CO 0.01 -0.50 1.48 -0.69 0.00 0.00 0.00 175.10 175.39 2wkj s VAL 136 N 1.57 2.39 -0.24 2.92 1.01 -0.67 -2.74 120.40 124.65 2wkj s VAL 136 Ca 0.04 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.38 2wkj s VAL 136 Cb -0.23 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 32.99 2wkj s VAL 136 CO 0.06 0.06 -0.10 -0.47 0.00 0.00 0.00 175.10 174.65 2wkj s TYR 137 N -0.32 2.91 -0.27 5.22 5.04 -1.03 -4.38 117.35 124.53 2wkj s TYR 137 Ca 0.58 -2.05 -0.07 0.00 -2.44 0.00 0.00 57.07 53.09 2wkj s TYR 137 Cb -0.44 -1.81 -0.01 0.00 0.35 0.00 0.00 41.96 40.05 2wkj s TYR 137 CO 0.49 -0.83 0.07 1.21 -1.34 0.00 0.00 175.55 175.15 2wkj s ASN 138 N 1.22 5.10 -0.41 4.32 3.04 -1.26 -2.13 114.94 124.82 2wkj s ASN 138 Ca -0.06 -0.43 0.05 0.00 0.04 0.00 0.00 52.86 52.46 2wkj s ASN 138 Cb -0.19 -1.90 0.19 0.00 -1.54 0.00 0.00 41.25 37.81 2wkj s ASN 138 CO -0.06 -0.10 0.40 0.00 -3.04 0.00 0.00 177.10 174.29 2wkj n ILE 139 N 4.90 -1.05 0.06 -5.21 3.06 -1.26 -0.75 119.36 119.11 2wkj n ILE 139 Ca -0.16 -3.51 0.09 0.00 -2.50 0.00 0.00 62.75 56.68 2wkj n ILE 139 Cb 0.50 -1.65 0.54 0.00 0.54 0.00 0.00 39.64 39.57 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 5.17 0.28 -0.45 9.51 0.11 -1.79 -0.94 132.00 143.89 2wkj h PRO 140 Ca 0.21 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 2wkj h PRO 140 Cb 0.91 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 2wkj h PRO 140 CO 0.39 0.18 0.25 0.00 -0.21 0.00 0.00 178.00 178.61 2wkj h ALA 141 N 1.81 1.60 0.00 -0.75 0.00 -1.90 -2.62 119.26 117.41 2wkj h ALA 141 Ca 0.14 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.65 2wkj h ALA 141 Cb 0.22 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2wkj h ALA 141 CO -0.03 0.34 -2.29 1.28 0.00 0.00 0.00 179.25 178.55 2wkj n LEU 142 N -4.43 1.62 0.11 0.00 4.77 -0.89 -4.60 117.00 113.59 2wkj n LEU 142 Ca 0.04 -0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 55.92 2wkj n LEU 142 Cb 0.09 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 41.02 2wkj n LEU 142 CO 0.36 0.69 0.39 0.77 -1.33 0.00 0.00 177.39 178.27 2wkj h SER 143 N 0.00 0.00 0.00 -1.43 4.64 -1.19 -3.47 113.55 112.10 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 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 2wkj h SER 143 CO -0.03 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 2wkj n GLY 144 N 0.62 1.17 3.72 -0.77 0.00 -0.99 -4.09 105.19 104.86 2wkj n GLY 144 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.90 5.16 -0.58 1.61 1.01 -1.26 -5.01 120.40 117.43 2wkj s VAL 145 Ca 0.00 1.07 0.06 0.00 0.00 0.00 0.00 61.98 63.12 2wkj s VAL 145 Cb 0.00 -3.87 0.26 0.00 0.00 0.00 0.00 36.38 32.77 2wkj s VAL 145 CO 0.00 0.31 0.73 0.29 0.00 0.00 0.00 175.10 176.43 2wkj n LYS 146 N 3.70 2.24 -1.92 2.72 5.02 -1.26 -4.49 118.16 124.17 2wkj n LYS 146 Ca -0.06 -4.39 -0.39 0.00 -2.02 0.00 0.00 58.31 51.44 2wkj n LYS 146 Cb 0.52 -2.05 0.01 0.00 -0.02 0.00 0.00 35.03 33.49 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 -2.37 4.13 0.75 -0.35 1.43 -1.26 -5.03 118.68 115.98 2wkj s LEU 147 Ca 0.40 2.78 -0.11 0.00 -1.03 0.00 0.00 54.13 56.17 2wkj s LEU 147 Cb 0.18 -3.95 0.04 0.00 0.03 0.00 0.00 46.19 42.48 2wkj s LEU 147 CO -0.05 -1.06 1.10 0.42 0.23 0.00 0.00 176.35 176.99 2wkj s THR 148 N -1.24 3.26 0.18 5.49 -4.23 -1.26 -4.86 115.64 112.98 2wkj s THR 148 Ca 0.60 0.41 -0.13 0.00 -1.18 0.00 0.00 61.69 61.39 2wkj s THR 148 Cb -0.41 -3.29 0.08 0.00 1.34 0.00 0.00 72.50 70.22 2wkj s THR 148 CO 0.52 -0.54 1.80 0.25 -0.54 0.00 0.00 174.62 176.12 2wkj h LEU 149 N -0.86 0.45 -1.12 4.79 5.85 -1.99 -0.35 115.31 122.08 2wkj h LEU 149 Ca -0.46 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.36 2wkj h LEU 149 Cb 1.26 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.15 2wkj h LEU 149 CO 0.62 0.31 0.60 0.44 -0.34 0.00 0.00 178.44 180.07 2wkj h ASP 150 N 0.57 0.90 -0.34 1.25 3.32 -1.99 0.28 116.42 120.42 2wkj h ASP 150 Ca 0.22 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 2wkj h ASP 150 Cb 0.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2wkj h ASP 150 CO -0.12 0.55 -0.20 1.56 -1.72 0.00 0.00 179.24 179.31 2wkj h GLN 151 N 1.01 0.73 -0.84 3.56 4.20 -1.70 -1.99 115.11 120.09 2wkj h GLN 151 Ca 0.42 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 58.81 2wkj h GLN 151 Cb 0.30 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 2wkj h GLN 151 CO -0.18 0.94 0.55 0.82 -0.67 0.00 0.00 178.83 180.30 2wkj h ILE 152 N 0.50 1.19 -0.94 2.54 2.04 -0.65 -0.65 117.51 121.54 2wkj h ILE 152 Ca 0.07 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.56 2wkj h ILE 152 Cb 0.74 -0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2wkj h ILE 152 CO 0.06 0.20 0.62 0.78 0.00 0.00 0.00 178.15 179.81 2wkj h ASN 153 N 1.11 1.09 -0.27 1.72 2.35 -0.70 -0.99 115.58 119.90 2wkj h ASN 153 Ca 0.31 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 2wkj h ASN 153 Cb -0.09 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.00 2wkj h ASN 153 CO -0.08 0.79 -0.17 0.74 -1.65 0.00 0.00 177.43 177.07 2wkj h THR 154 N 1.28 1.30 -0.42 2.81 2.02 -0.84 -3.03 112.91 116.03 2wkj h THR 154 Ca 0.35 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 66.25 2wkj h THR 154 Cb -0.14 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2wkj h THR 154 CO -0.07 0.40 0.27 -0.07 0.37 0.00 0.00 175.52 176.42 2wkj h LEU 155 N 0.32 0.49 0.00 2.58 3.38 -0.80 -2.62 115.31 118.66 2wkj h LEU 155 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wkj h LEU 155 Cb 0.69 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2wkj h LEU 155 CO 0.05 0.37 0.00 1.33 0.09 0.00 0.00 178.44 180.27 2wkj n VAL 156 N -4.78 0.00 0.04 1.22 0.24 -0.40 -2.49 118.33 112.16 2wkj n VAL 156 Ca 0.01 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.36 2wkj n VAL 156 Cb 0.03 -0.51 0.12 0.00 -1.47 0.00 0.00 33.84 32.01 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 -1.14 0.66 -1.76 3.34 -2.24 -1.02 -4.78 114.28 107.35 2wkj n THR 157 Ca 0.19 -0.83 -0.41 0.00 -2.27 0.00 0.00 64.05 60.73 2wkj n THR 157 Cb 0.17 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 0.54 4.53 -4.62 3.22 4.77 -1.04 -4.90 117.00 119.50 2wkj n LEU 158 Ca 0.10 1.21 -0.49 0.00 -0.03 0.00 0.00 56.01 56.80 2wkj n LEU 158 Cb 0.37 -1.59 -0.05 0.00 -2.33 0.00 0.00 43.42 39.83 2wkj n LEU 158 CO 0.07 -0.02 0.99 -2.65 -1.33 0.00 0.00 177.39 174.46 2wkj n PRO 159 N 0.40 1.60 -0.00 3.23 -0.02 -1.26 -1.75 135.00 137.19 2wkj n PRO 159 Ca 0.02 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2wkj n PRO 159 Cb 0.38 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 2.74 0.22 3.67 -1.23 0.00 -1.26 -5.01 105.19 104.32 2wkj n GLY 160 Ca 0.17 0.00 -0.41 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 -2.07 4.97 -0.90 1.61 1.01 -0.72 -0.80 120.40 123.49 2wkj s VAL 161 Ca 0.00 1.40 0.08 0.00 0.00 0.00 0.00 61.98 63.46 2wkj s VAL 161 Cb 0.00 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.38 2wkj s VAL 161 CO 0.00 0.09 0.67 0.61 0.00 0.00 0.00 175.10 176.47 2wkj n GLY 162 N 3.58 -0.44 3.59 4.51 0.00 0.72 -4.57 105.19 112.58 2wkj n GLY 162 Ca 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.90 -1.98 0.00 4.61 0.00 -1.13 -3.85 121.76 118.51 2wkj s ALA 163 Ca 0.08 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2wkj s ALA 163 Cb 0.07 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.39 2wkj s ALA 163 CO 0.14 -0.75 0.00 -0.11 0.00 0.00 0.00 175.76 175.05 2wkj n LEU 164 N -0.24 0.00 0.00 0.00 7.94 -0.30 -1.66 117.00 122.73 2wkj n LEU 164 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 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 0.10 0.00 0.00 1.67 -1.11 0.00 0.00 177.39 178.05 2wkj n GLN 166 N 0.00 0.00 -2.96 1.96 -0.06 -0.08 -0.67 117.38 115.57 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 4.41 -3.79 1.69 -1.04 0.07 -1.56 114.28 114.07 2wkj n THR 167 Ca 0.00 -4.92 -0.13 0.00 -2.04 0.00 0.00 64.05 56.97 2wkj n THR 167 Cb 0.00 -2.46 -0.11 0.00 -1.82 0.00 0.00 70.33 65.94 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 1.90 -0.25 0.00 8.00 0.15 -1.26 -4.08 113.70 118.16 2wkj s SER 168 Ca 0.39 0.44 0.13 0.00 0.70 0.00 0.00 55.95 57.60 2wkj s SER 168 Cb -0.02 0.50 0.42 0.00 -1.71 0.00 0.00 66.02 65.20 2wkj s SER 168 CO -0.01 -0.14 1.32 0.61 1.20 0.00 0.00 173.24 176.22 2wkj n GLY 169 N 2.68 0.37 3.47 9.45 0.00 -1.26 -4.76 105.19 115.13 2wkj n GLY 169 Ca -0.14 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.16 6.32 0.00 1.61 -1.08 -1.26 -4.86 116.67 116.25 2wkj s ASP 170 Ca 0.24 -1.27 0.29 0.00 -0.52 0.00 0.00 52.55 51.29 2wkj s ASP 170 Cb 0.12 -2.43 1.28 0.00 -1.46 0.00 0.00 42.92 40.43 2wkj s ASP 170 CO 0.17 -1.37 1.90 0.18 0.52 0.00 0.00 175.17 176.57 2wkj n LEU 171 N 7.59 0.28 -0.02 -1.34 4.77 -1.26 -1.94 117.00 125.09 2wkj n LEU 171 Ca 0.07 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 2wkj n LEU 171 Cb 0.47 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 2wkj n LEU 171 CO 0.61 0.05 0.63 0.22 -1.33 0.00 0.00 177.39 177.57 2wkj h TYR 172 N 0.30 -0.00 -0.65 -1.77 3.20 -1.97 -2.60 116.97 113.47 2wkj h TYR 172 Ca 0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2wkj h TYR 172 Cb 0.36 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 2wkj h TYR 172 CO 0.00 0.51 0.32 0.37 -1.64 0.00 0.00 178.16 177.72 2wkj h GLN 173 N -0.51 0.92 -0.30 1.82 4.15 -1.92 -0.04 115.11 119.23 2wkj h GLN 173 Ca -0.00 -0.11 0.04 0.00 0.77 0.00 0.00 58.65 59.35 2wkj h GLN 173 Cb 0.51 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 2wkj h GLN 173 CO 0.00 0.70 0.07 1.98 -1.93 0.00 0.00 178.83 179.66 2wkj h MET 174 N 0.92 0.18 -0.88 1.69 4.05 -1.41 -0.18 114.93 119.31 2wkj h MET 174 Ca 0.23 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.62 2wkj h MET 174 Cb 0.08 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.79 2wkj h MET 174 CO -0.03 0.12 0.49 1.49 0.23 0.00 0.00 176.91 179.21 2wkj h GLU 175 N 0.19 1.21 -0.80 0.39 4.22 -0.98 -2.10 114.58 116.71 2wkj h GLU 175 Ca 0.14 -0.13 -0.04 0.00 0.08 0.00 0.00 59.36 59.41 2wkj h GLU 175 Cb 0.14 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 2wkj h GLU 175 CO -0.17 0.88 0.35 1.96 -2.18 0.00 0.00 179.01 179.86 2wkj h GLN 176 N 1.22 1.16 0.02 1.92 4.20 -0.42 -0.57 115.11 122.64 2wkj h GLN 176 Ca 0.31 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2wkj h GLN 176 Cb 0.01 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.59 2wkj h GLN 176 CO -0.05 0.91 -0.01 0.82 -0.67 0.00 0.00 178.83 179.83 2wkj h ILE 177 N 1.15 1.19 -0.69 2.54 2.04 -0.85 -1.45 117.51 121.43 2wkj h ILE 177 Ca 0.27 -0.64 0.09 0.00 1.00 0.00 0.00 64.86 65.58 2wkj h ILE 177 Cb 0.16 1.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 2wkj h ILE 177 CO -0.03 0.16 0.34 -0.09 0.00 0.00 0.00 178.15 178.53 2wkj h ARG 178 N -0.31 0.57 -0.85 2.37 9.65 -1.15 -1.17 114.38 123.48 2wkj h ARG 178 Ca -0.00 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 2wkj h ARG 178 Cb 0.29 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 2wkj h ARG 178 CO 0.00 0.38 0.47 -0.09 2.80 0.00 0.00 179.97 183.53 2wkj h ARG 179 N 0.59 1.19 0.00 0.20 2.43 -0.92 -2.72 114.38 115.14 2wkj h ARG 179 Ca 0.33 -0.14 -0.18 0.00 -0.81 0.00 0.00 59.98 59.19 2wkj h ARG 179 Cb 0.34 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2wkj h ARG 179 CO -0.26 0.87 -0.84 1.49 -1.51 0.00 0.00 179.97 179.72 2wkj h GLU 180 N 1.19 0.03 -2.63 0.20 4.57 -0.89 -3.39 114.58 113.65 2wkj h GLU 180 Ca 0.30 -0.04 -0.60 0.00 -1.18 0.00 0.00 59.36 57.84 2wkj h GLU 180 Cb 0.02 0.01 -0.40 0.00 -0.16 0.00 0.00 28.75 28.22 2wkj h GLU 180 CO -0.05 0.85 -0.77 0.72 -1.18 0.00 0.00 179.01 178.58 2wkj n HIS 181 N -3.57 1.41 0.29 0.92 8.25 -0.48 -4.97 115.22 117.07 2wkj n HIS 181 Ca -0.01 -3.85 0.16 0.00 -0.26 0.00 0.00 57.72 53.75 2wkj n HIS 181 Cb 0.80 -0.26 0.87 0.00 1.12 0.00 0.00 29.99 32.52 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 5.24 0.00 -0.02 -0.41 0.13 -1.74 -2.16 132.00 133.05 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 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2wkj h PRO 182 CO 0.58 0.06 -0.48 -0.25 -0.23 0.00 0.00 178.00 177.68 2wkj n ASP 183 N -3.56 2.01 -4.75 1.44 8.00 -1.26 -4.98 116.55 113.45 2wkj n ASP 183 Ca -0.02 -1.51 -0.41 0.00 0.71 0.00 0.00 54.79 53.56 2wkj n ASP 183 Cb 0.17 0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 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 4.45 -0.05 0.64 2.96 -0.81 -4.44 118.68 118.96 2wkj s LEU 184 Ca 0.18 2.38 -0.30 0.00 -0.22 0.00 0.00 54.13 56.17 2wkj s LEU 184 Cb 0.18 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 2wkj s LEU 184 CO 0.57 -0.42 1.34 -0.69 -1.32 0.00 0.00 176.35 175.83 2wkj s VAL 185 N -0.33 3.96 -0.28 1.68 1.01 -1.25 -4.92 120.40 120.27 2wkj s VAL 185 Ca 0.52 1.28 -0.01 0.00 0.00 0.00 0.00 61.98 63.78 2wkj s VAL 185 Cb -0.35 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.29 2wkj s VAL 185 CO 0.41 -0.03 0.06 -0.22 0.00 0.00 0.00 175.10 175.31 2wkj s LEU 186 N 2.70 2.19 -0.15 3.92 2.96 -1.26 -1.15 118.68 127.89 2wkj s LEU 186 Ca 0.61 -1.42 -0.20 0.00 -0.22 0.00 0.00 54.13 52.89 2wkj s LEU 186 Cb -0.28 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 2wkj s LEU 186 CO 0.23 -0.36 0.60 -0.31 -1.32 0.00 0.00 176.35 175.18 2wkj s TYR 187 N 1.60 3.45 0.05 5.38 2.02 0.16 -1.47 117.35 128.54 2wkj s TYR 187 Ca 0.05 0.97 -0.31 0.00 -0.37 0.00 0.00 57.07 57.42 2wkj s TYR 187 Cb -0.18 -2.72 -0.06 0.00 -0.40 0.00 0.00 41.96 38.60 2wkj s TYR 187 CO -0.18 -0.02 1.27 1.21 -1.57 0.00 0.00 175.55 176.26 2wkj s ASN 188 N 0.96 6.99 -0.03 2.29 2.47 -0.08 -0.91 114.94 126.63 2wkj s ASN 188 Ca 0.29 2.07 0.20 0.00 0.42 0.00 0.00 52.86 55.84 2wkj s ASN 188 Cb -0.16 -2.58 -0.30 0.00 -1.45 0.00 0.00 41.25 36.76 2wkj s ASN 188 CO 0.12 -0.56 0.42 0.61 -3.72 0.00 0.00 177.10 173.97 2wkj n GLY 189 N 3.35 -0.90 3.46 1.21 0.00 -0.60 -1.99 105.19 109.72 2wkj n GLY 189 Ca 0.10 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.33 3.24 0.42 1.61 2.02 -1.26 -4.74 117.35 115.30 2wkj s TYR 190 Ca -0.07 -0.56 0.09 0.00 -0.37 0.00 0.00 57.07 56.16 2wkj s TYR 190 Cb 0.12 -2.55 0.92 0.00 -0.40 0.00 0.00 41.96 40.05 2wkj s TYR 190 CO 0.82 -0.55 2.05 -0.44 -1.57 0.00 0.00 175.55 175.86 2wkj h ASP 191 N 8.59 0.42 0.00 2.29 5.19 -1.89 -2.18 116.42 128.83 2wkj h ASP 191 Ca -0.28 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2wkj h ASP 191 Cb 1.13 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.53 2wkj h ASP 191 CO 0.71 0.30 0.00 -0.46 -3.12 0.00 0.00 179.24 176.66 2wkj n ASN 192 N -4.48 0.00 -0.22 6.45 0.23 -1.26 -2.32 115.26 113.66 2wkj n ASN 192 Ca 0.04 -1.18 0.02 0.00 -0.53 0.00 0.00 54.58 52.93 2wkj n ASN 192 Cb 0.11 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.84 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 -0.80 0.55 -0.18 1.53 -5.35 -0.83 -4.94 119.36 109.34 2wkj n ILE 193 Ca 0.12 -0.63 -0.04 0.00 -0.27 0.00 0.00 62.75 61.93 2wkj n ILE 193 Cb 0.06 0.46 0.02 0.00 -1.74 0.00 0.00 39.64 38.44 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 -0.65 -0.45 4.28 3.57 -1.42 0.23 116.94 122.50 2wkj h PHE 194 Ca 0.00 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2wkj h PHE 194 Cb 1.09 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 2wkj h PHE 194 CO 0.04 -0.33 0.27 0.00 -2.23 0.00 0.00 178.31 176.06 2wkj h ALA 195 N 1.20 0.57 -0.28 2.41 0.00 -1.92 -0.57 119.26 120.66 2wkj h ALA 195 Ca 0.24 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2wkj h ALA 195 Cb 0.51 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2wkj h ALA 195 CO -0.62 -0.04 -0.18 0.77 0.00 0.00 0.00 179.25 179.18 2wkj h SER 196 N 0.54 0.50 -0.44 0.00 0.02 -1.70 -1.43 113.55 111.03 2wkj h SER 196 Ca 0.18 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2wkj h SER 196 Cb 0.00 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2wkj h SER 196 CO -0.08 0.70 0.07 1.23 -1.14 0.00 0.00 176.83 177.61 2wkj h GLY 197 N 0.97 0.80 0.99 -3.77 0.00 0.08 -1.22 103.07 100.92 2wkj h GLY 197 Ca 0.08 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 2wkj h GLY 197 CO 0.04 0.49 0.27 1.41 0.00 0.00 0.00 176.54 178.76 2wkj h LEU 198 N 0.60 0.53 -1.44 3.11 3.38 -0.98 -1.49 115.31 119.02 2wkj h LEU 198 Ca 0.13 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2wkj h LEU 198 Cb 0.39 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2wkj h LEU 198 CO 0.01 0.43 0.38 0.25 0.09 0.00 0.00 178.44 179.59 2wkj h LEU 199 N 0.60 0.66 -1.06 1.67 5.85 -1.02 -1.05 115.31 120.94 2wkj h LEU 199 Ca 0.16 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2wkj h LEU 199 Cb -0.01 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2wkj h LEU 199 CO -0.03 0.47 0.00 0.00 -0.34 0.00 0.00 178.44 178.54 2wkj h ALA 200 N 1.64 1.00 0.00 1.25 0.00 -0.86 -3.47 119.26 118.83 2wkj h ALA 200 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wkj h ALA 200 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wkj h ALA 200 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2wkj n GLY 201 N 0.31 0.24 3.71 0.00 0.00 -0.40 -3.31 105.19 105.75 2wkj n GLY 201 Ca 0.02 0.00 -0.38 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 n ALA 202 N 0.00 1.19 -0.81 4.61 0.00 -0.62 -4.84 120.51 120.04 2wkj n ALA 202 Ca 0.00 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.59 2wkj n ALA 202 Cb 0.00 -2.30 0.12 0.00 0.00 0.00 0.00 19.45 17.27 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 -1.15 2.43 0.00 0.00 5.68 -0.54 -4.38 116.55 118.58 2wkj n ASP 203 Ca 0.12 -2.82 0.00 0.00 -0.50 0.00 0.00 54.79 51.59 2wkj n ASP 203 Cb 0.46 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 -1.10 -0.72 3.46 6.12 0.00 -1.20 -3.97 105.19 107.78 2wkj n GLY 204 Ca 0.13 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.58 -0.08 -0.02 0.00 -0.45 -0.90 107.32 105.28 2wkj s GLY 205 Ca 0.00 0.84 0.01 0.00 0.00 0.00 0.00 44.72 45.56 2wkj s GLY 205 CO 0.00 0.44 -0.09 -0.42 0.00 0.00 0.00 173.10 173.03 2wkj s ILE 206 N -2.84 0.99 0.02 0.90 1.01 -0.84 -1.12 121.20 119.32 2wkj s ILE 206 Ca -0.02 -0.33 -0.22 0.00 0.00 0.00 0.00 60.65 60.07 2wkj s ILE 206 Cb -0.01 -0.97 0.05 0.00 0.01 0.00 0.00 42.46 41.55 2wkj s ILE 206 CO -0.05 0.34 0.51 -0.83 0.00 0.00 0.00 174.94 174.91 2wkj s GLY 207 N 1.18 -0.40 0.16 6.18 0.00 -1.12 -4.36 107.32 108.96 2wkj s GLY 207 Ca -0.05 0.65 -0.10 0.00 0.00 0.00 0.00 44.72 45.21 2wkj s GLY 207 CO -0.02 0.35 1.57 1.48 0.00 0.00 0.00 173.10 176.48 2wkj h SER 208 N 2.96 1.04 0.66 1.64 4.64 -1.89 -0.85 113.55 121.75 2wkj h SER 208 Ca -0.30 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 2wkj h SER 208 Cb 1.20 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2wkj h SER 208 CO 0.41 1.18 0.00 0.35 -0.87 0.00 0.00 176.83 177.90 2wkj n THR 209 N -4.12 0.18 0.30 2.95 -2.24 -1.26 -2.61 114.28 107.48 2wkj n THR 209 Ca 0.01 0.04 0.19 0.00 -2.27 0.00 0.00 64.05 62.02 2wkj n THR 209 Cb 0.44 -0.61 0.94 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.02 4.78 -1.99 -1.87 -2.24 116.97 115.63 2wkj h TYR 210 Ca 0.00 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.74 2wkj h TYR 210 Cb 0.33 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.06 2wkj h TYR 210 CO 0.00 0.03 0.01 -0.91 -0.00 0.00 0.00 178.16 177.29 2wkj h ASN 211 N 0.00 0.00 0.00 3.88 2.35 -1.73 -1.65 115.58 118.43 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 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2wkj h ASN 211 CO 0.00 0.00 -0.96 2.30 -1.65 0.00 0.00 177.43 177.12 2wkj n ILE 212 N -4.39 0.00 -2.72 2.81 -5.35 -0.87 -4.79 119.36 104.04 2wkj n ILE 212 Ca -0.03 -0.24 -0.02 0.00 -0.27 0.00 0.00 62.75 62.20 2wkj n ILE 212 Cb 0.11 0.60 0.10 0.00 -1.74 0.00 0.00 39.64 38.71 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 -1.54 1.47 0.12 6.28 0.00 -1.03 -4.96 117.12 117.46 2wkj n MET 213 Ca -0.00 -1.98 0.10 0.00 0.00 0.00 0.00 57.70 55.81 2wkj n MET 213 Cb 0.18 -0.25 0.59 0.00 0.00 0.00 0.00 33.22 33.74 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 1.57 0.20 1.51 3.17 0.00 -1.49 -0.51 103.07 107.51 2wkj h GLY 214 Ca -0.34 -0.07 0.06 0.00 0.00 0.00 0.00 47.33 46.98 2wkj h GLY 214 CO -0.06 0.06 0.20 0.11 0.00 0.00 0.00 176.54 176.85 2wkj h TRP 215 N 0.17 0.12 -0.59 5.60 0.09 -1.86 -1.15 115.95 118.33 2wkj h TRP 215 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 58.89 59.03 2wkj h TRP 215 Cb 0.22 -0.04 -0.02 0.00 0.08 0.00 0.00 29.16 29.40 2wkj h TRP 215 CO -0.00 0.07 0.13 0.00 0.09 0.00 0.00 178.44 178.73 2wkj h ARG 216 N 0.12 0.96 -0.40 0.12 3.08 -1.49 0.15 114.38 116.92 2wkj h ARG 216 Ca 0.13 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 2wkj h ARG 216 Cb 0.37 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2wkj h ARG 216 CO -0.02 0.89 -0.23 1.88 -1.07 0.00 0.00 179.97 181.43 2wkj h TYR 217 N 0.87 1.00 -0.56 3.04 0.05 -1.31 -1.62 116.97 118.43 2wkj h TYR 217 Ca 0.18 -0.26 0.01 0.00 0.05 0.00 0.00 58.73 58.72 2wkj h TYR 217 Cb 0.37 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 2wkj h TYR 217 CO 0.03 1.04 0.37 1.96 -1.05 0.00 0.00 178.16 180.51 2wkj h GLN 218 N 0.67 0.73 -0.75 4.88 1.08 -1.19 -1.99 115.11 118.55 2wkj h GLN 218 Ca 0.09 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2wkj h GLN 218 Cb 0.79 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 2wkj h GLN 218 CO 0.06 0.48 0.40 0.78 -0.95 0.00 0.00 178.83 179.60 2wkj h GLY 219 N 0.75 1.11 0.97 3.46 0.00 -0.22 -2.05 103.07 107.09 2wkj h GLY 219 Ca 0.21 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 2wkj h GLY 219 CO -0.05 0.48 -0.23 -2.22 0.00 0.00 0.00 176.54 174.52 2wkj h ILE 220 N 1.04 1.30 -0.39 2.60 2.04 -0.62 -0.77 117.51 122.71 2wkj h ILE 220 Ca 0.26 -1.38 0.05 0.00 1.00 0.00 0.00 64.86 64.80 2wkj h ILE 220 Cb 0.04 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 2wkj h ILE 220 CO -0.04 0.44 0.13 0.58 0.00 0.00 0.00 178.15 179.26 2wkj h VAL 221 N 0.47 0.87 -0.35 1.67 2.07 -1.24 -1.02 116.25 118.71 2wkj h VAL 221 Ca 0.06 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2wkj h VAL 221 Cb 0.79 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2wkj h VAL 221 CO 0.06 0.05 0.13 0.50 0.02 0.00 0.00 177.57 178.33 2wkj h LYS 222 N 0.29 0.54 0.03 1.57 3.64 -1.30 -1.85 116.57 119.49 2wkj h LYS 222 Ca 0.18 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2wkj h LYS 222 Cb 0.17 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2wkj h LYS 222 CO -0.19 0.55 -0.01 0.00 -2.27 0.00 0.00 179.45 177.52 2wkj h ALA 223 N 0.97 -0.04 -0.84 5.00 0.00 -0.84 -1.90 119.26 121.61 2wkj h ALA 223 Ca 0.12 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2wkj h ALA 223 Cb 0.22 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2wkj h ALA 223 CO -0.01 -0.52 0.55 -0.07 0.00 0.00 0.00 179.25 179.20 2wkj h LEU 224 N -0.04 0.97 -1.39 0.00 3.38 -1.18 0.13 115.31 117.17 2wkj h LEU 224 Ca -0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2wkj h LEU 224 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2wkj h LEU 224 CO 0.01 0.71 0.22 0.50 0.09 0.00 0.00 178.44 179.96 2wkj h LYS 225 N 1.14 0.63 -0.00 1.13 3.64 -0.93 -2.17 116.57 120.00 2wkj h LYS 225 Ca 0.31 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2wkj h LYS 225 Cb -0.12 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 2wkj h LYS 225 CO -0.06 0.49 -0.29 0.39 -2.27 0.00 0.00 179.45 177.71 2wkj n GLU 226 N -4.39 0.02 -0.86 1.90 1.02 -0.75 -4.92 120.64 112.65 2wkj n GLU 226 Ca 0.03 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2wkj n GLU 226 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 1.49 0.47 3.28 0.62 0.00 -0.82 -5.00 105.19 105.24 2wkj n GLY 227 Ca 0.06 -0.93 -0.44 0.00 0.00 0.00 0.00 46.02 44.71 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 1.69 5.48 -0.13 1.61 -0.08 0.39 -4.84 116.55 120.67 2wkj n ASP 228 Ca 0.00 -3.08 0.01 0.00 -1.51 0.00 0.00 54.79 50.21 2wkj n ASP 228 Cb 0.00 -1.45 0.29 0.00 2.34 0.00 0.00 41.12 42.30 2wkj n ASP 228 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2wkj h ILE 229 N 4.00 1.18 -0.27 5.18 2.10 -1.94 -2.64 117.51 125.11 2wkj h ILE 229 Ca 0.26 -0.43 -0.02 0.00 1.08 0.00 0.00 64.86 65.75 2wkj h ILE 229 Cb 0.81 0.37 -0.01 0.00 -1.09 0.00 0.00 36.82 36.89 2wkj h ILE 229 CO 1.23 0.19 0.09 1.56 -1.08 0.00 0.00 178.15 180.13 2wkj h GLN 230 N 0.82 0.42 -0.60 2.19 1.08 -1.96 -0.91 115.11 116.14 2wkj h GLN 230 Ca 0.21 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.24 2wkj h GLN 230 Cb 0.01 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 2wkj h GLN 230 CO -0.04 0.48 0.05 1.15 -0.95 0.00 0.00 178.83 179.53 2wkj h THR 231 N 0.28 1.26 -0.44 -0.54 2.02 -1.93 -0.57 112.91 113.00 2wkj h THR 231 Ca 0.09 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.20 2wkj h THR 231 Cb 0.24 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2wkj h THR 231 CO -0.00 0.39 0.28 0.00 0.37 0.00 0.00 175.52 176.56 2wkj h ALA 232 N 1.00 0.56 -0.50 6.16 0.00 -1.21 0.04 119.26 125.31 2wkj h ALA 232 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2wkj h ALA 232 Cb 0.49 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2wkj h ALA 232 CO 0.02 0.03 0.21 1.96 0.00 0.00 0.00 179.25 181.48 2wkj h GLN 233 N 0.59 0.74 -0.58 0.00 4.20 -0.98 -1.34 115.11 117.74 2wkj h GLN 233 Ca 0.16 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 2wkj h GLN 233 Cb -0.04 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 2wkj h GLN 233 CO -0.03 0.64 0.23 0.87 -0.67 0.00 0.00 178.83 179.87 2wkj h LYS 234 N 0.66 0.86 -0.60 1.46 1.57 -0.77 0.03 116.57 119.78 2wkj h LYS 234 Ca 0.17 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2wkj h LYS 234 Cb 0.17 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2wkj h LYS 234 CO -0.02 0.74 0.32 -0.07 -0.57 0.00 0.00 179.45 179.85 2wkj h LEU 235 N 0.80 0.77 -0.84 2.94 3.38 -0.87 -1.89 115.31 119.60 2wkj h LEU 235 Ca 0.19 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2wkj h LEU 235 Cb 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2wkj h LEU 235 CO -0.02 0.66 0.23 -0.61 0.09 0.00 0.00 178.44 178.79 2wkj h GLN 236 N 0.82 1.09 -0.42 1.13 5.75 -0.81 -0.45 115.11 122.23 2wkj h GLN 236 Ca 0.21 -0.22 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2wkj h GLN 236 Cb 0.07 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 2wkj h GLN 236 CO -0.03 0.92 0.24 1.15 -2.65 0.00 0.00 178.83 178.46 2wkj h THR 237 N 1.06 1.03 -0.71 2.39 2.02 -0.79 0.07 112.91 117.98 2wkj h THR 237 Ca 0.23 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 2wkj h THR 237 Cb 0.28 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2wkj h THR 237 CO -0.01 0.09 0.30 -0.33 0.37 0.00 0.00 175.52 175.94 2wkj h GLU 238 N 0.48 1.04 -0.83 6.66 4.39 -0.85 -0.41 114.58 125.07 2wkj h GLU 238 Ca 0.17 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.72 2wkj h GLU 238 Cb 0.02 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.45 2wkj h GLU 238 CO -0.09 0.85 0.54 0.00 -1.16 0.00 0.00 179.01 179.15 2wkj h ASN 240 N 1.06 0.24 -0.84 0.00 -0.26 -0.34 0.46 115.58 115.90 2wkj h ASN 240 Ca 0.33 -0.12 0.06 0.00 -0.56 0.00 0.00 56.30 56.00 2wkj h ASN 240 Cb -0.02 -0.07 -0.06 0.00 -1.06 0.00 0.00 38.32 37.12 2wkj h ASN 240 CO -0.11 0.73 0.52 0.11 -1.06 0.00 0.00 177.43 177.62 2wkj h LYS 241 N 0.17 0.93 -0.18 0.81 1.57 -0.86 0.66 116.57 119.67 2wkj h LYS 241 Ca 0.00 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2wkj h LYS 241 Cb 1.00 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 2wkj h LYS 241 CO 0.08 0.62 -0.08 0.28 -0.57 0.00 0.00 179.45 179.78 2wkj h VAL 242 N 0.96 1.31 -0.67 0.50 2.07 -1.19 -3.11 116.25 116.11 2wkj h VAL 242 Ca 0.36 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 2wkj h VAL 242 Cb 0.15 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2wkj h VAL 242 CO -0.16 0.34 0.32 0.40 0.02 0.00 0.00 177.57 178.49 2wkj h ILE 243 N 0.07 1.22 -0.52 4.57 2.04 -0.55 -0.64 117.51 123.70 2wkj h ILE 243 Ca 0.04 -0.61 0.10 0.00 1.00 0.00 0.00 64.86 65.39 2wkj h ILE 243 Cb 0.56 0.35 -0.08 0.00 -0.74 0.00 0.00 36.82 36.91 2wkj h ILE 243 CO 0.03 0.26 0.07 0.44 0.00 0.00 0.00 178.15 178.94 2wkj h ASP 244 N 0.95 -0.08 -0.28 1.72 3.32 -0.86 0.16 116.42 121.34 2wkj h ASP 244 Ca 0.23 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.37 2wkj h ASP 244 Cb 0.10 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2wkj h ASP 244 CO -0.03 -0.02 0.09 0.25 -1.72 0.00 0.00 179.24 177.81 2wkj h LEU 245 N 0.19 0.41 -1.30 1.55 5.85 -1.27 -2.44 115.31 118.31 2wkj h LEU 245 Ca 0.27 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2wkj h LEU 245 Cb 0.39 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2wkj h LEU 245 CO -0.38 0.50 0.13 -0.07 -0.34 0.00 0.00 178.44 178.28 2wkj h LEU 246 N 0.30 0.55 -0.65 2.25 3.38 -0.64 -0.51 115.31 119.99 2wkj h LEU 246 Ca 0.09 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2wkj h LEU 246 Cb 0.24 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2wkj h LEU 246 CO -0.00 0.54 -0.27 0.40 0.09 0.00 0.00 178.44 179.19 2wkj h ILE 247 N 0.60 1.28 -0.56 1.22 2.04 -0.85 0.99 117.51 122.23 2wkj h ILE 247 Ca 0.14 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.60 2wkj h ILE 247 Cb 0.18 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2wkj h ILE 247 CO -0.01 0.46 0.36 0.50 0.00 0.00 0.00 178.15 179.46 2wkj h LYS 248 N 0.65 0.74 0.00 2.37 3.64 -0.80 -3.19 116.57 119.98 2wkj h LYS 248 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2wkj h LYS 248 Cb 0.79 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2wkj h LYS 248 CO 0.07 0.50 -0.45 1.79 -2.27 0.00 0.00 179.45 179.09 2wkj h THR 249 N 0.75 0.00 -0.06 1.00 1.35 -0.89 -3.50 112.91 111.56 2wkj h THR 249 Ca 0.20 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 2wkj h THR 249 Cb -0.06 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2wkj h THR 249 CO -0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.84 2wkj n GLY 250 N 1.16 1.02 0.21 5.82 0.00 0.30 -4.65 105.19 109.05 2wkj n GLY 250 Ca 0.02 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 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 0.49 -0.28 1.61 2.07 -1.72 0.22 116.25 118.64 2wkj h VAL 251 Ca 0.00 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2wkj h VAL 251 Cb 0.00 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2wkj h VAL 251 CO 0.00 0.11 0.15 -0.26 0.02 0.00 0.00 177.57 177.59 2wkj h PHE 252 N -0.95 0.38 -0.19 1.57 0.04 -1.95 -0.21 116.94 115.63 2wkj h PHE 252 Ca -0.05 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.60 2wkj h PHE 252 Cb 0.51 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 2wkj h PHE 252 CO 0.04 0.32 -0.39 0.07 -0.60 0.00 0.00 178.31 177.74 2wkj h ARG 253 N 0.33 0.43 -0.47 1.51 0.11 -1.87 -0.54 114.38 113.87 2wkj h ARG 253 Ca 0.10 -0.21 -0.01 0.00 0.10 0.00 0.00 59.98 59.96 2wkj h ARG 253 Cb 0.06 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.12 2wkj h ARG 253 CO -0.02 0.75 0.26 0.78 0.10 0.00 0.00 179.97 181.85 2wkj h GLY 254 N 1.12 0.71 0.99 0.08 0.00 -0.62 -0.44 103.07 104.90 2wkj h GLY 254 Ca 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 2wkj h GLY 254 CO 0.07 0.31 0.25 1.41 0.00 0.00 0.00 176.54 178.58 2wkj h LEU 255 N 0.63 0.50 -1.34 3.11 3.38 -0.74 -0.68 115.31 120.17 2wkj h LEU 255 Ca 0.17 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2wkj h LEU 255 Cb 0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2wkj h LEU 255 CO -0.03 0.41 0.02 0.11 0.09 0.00 0.00 178.44 179.04 2wkj h LYS 256 N 0.55 0.46 -0.23 1.13 1.57 -0.87 -0.90 116.57 118.30 2wkj h LYS 256 Ca 0.15 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 2wkj h LYS 256 Cb -0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2wkj h LYS 256 CO -0.03 0.48 -0.31 1.15 -0.57 0.00 0.00 179.45 180.16 2wkj h THR 257 N 0.45 1.32 -0.57 -0.16 2.02 -0.58 0.79 112.91 116.19 2wkj h THR 257 Ca 0.10 -1.51 0.04 0.00 0.77 0.00 0.00 66.41 65.81 2wkj h THR 257 Cb 0.27 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.39 2wkj h THR 257 CO 0.01 0.47 0.32 0.58 0.37 0.00 0.00 175.52 177.26 2wkj h VAL 258 N 0.31 1.00 -0.25 3.16 2.07 -0.80 -1.32 116.25 120.43 2wkj h VAL 258 Ca 0.02 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2wkj h VAL 258 Cb 0.89 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2wkj h VAL 258 CO 0.07 0.11 -0.10 -0.07 0.02 0.00 0.00 177.57 177.60 2wkj h LEU 259 N 0.61 0.38 -0.35 2.57 3.38 -0.91 -0.98 115.31 120.01 2wkj h LEU 259 Ca 0.24 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2wkj h LEU 259 Cb 0.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2wkj h LEU 259 CO -0.14 0.52 0.20 -0.74 0.09 0.00 0.00 178.44 178.37 2wkj h HIS 260 N 0.38 0.48 0.00 1.13 2.76 -0.24 0.35 115.15 120.00 2wkj h HIS 260 Ca 0.07 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2wkj h HIS 260 Cb 0.41 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2wkj h HIS 260 CO 0.01 0.38 0.00 1.88 -1.30 0.00 0.00 177.93 178.90 2wkj h TYR 261 N 0.45 0.00 -0.25 5.26 0.05 -0.51 -1.02 116.97 120.95 2wkj h TYR 261 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 2wkj h TYR 261 Cb 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 2wkj h TYR 261 CO -0.03 0.00 0.00 -1.33 -1.05 0.00 0.00 178.16 175.75 2wkj n MET 262 N -2.61 1.77 -2.11 4.88 2.81 -0.44 -4.90 117.12 116.52 2wkj n MET 262 Ca 0.02 -1.17 -0.12 0.00 -1.81 0.00 0.00 57.70 54.62 2wkj n MET 262 Cb 0.28 -1.35 -0.01 0.00 -0.71 0.00 0.00 33.22 31.43 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 -3.91 -0.12 7.83 9.92 -0.39 -4.92 116.55 125.38 2wkj n ASP 263 Ca 0.14 0.03 -0.24 0.00 -0.53 0.00 0.00 54.79 54.20 2wkj n ASP 263 Cb 0.32 -3.03 -0.09 0.00 -0.64 0.00 0.00 41.12 37.68 2wkj n ASP 263 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2wkj n VAL 264 N -3.82 1.27 -3.77 2.53 0.31 0.08 -4.95 118.33 109.98 2wkj n VAL 264 Ca -0.14 -0.34 -0.36 0.00 -0.01 0.00 0.00 64.34 63.49 2wkj n VAL 264 Cb 0.58 -1.76 -0.12 0.00 -0.91 0.00 0.00 33.84 31.63 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 -2.43 4.33 0.16 2.52 1.01 -1.13 -4.63 120.40 120.23 2wkj s VAL 265 Ca -0.32 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 2wkj s VAL 265 Cb 0.12 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.52 2wkj s VAL 265 CO 0.42 0.35 1.74 0.28 0.00 0.00 0.00 175.10 177.88 2wkj h SER 266 N 8.16 0.66 -3.25 3.32 0.02 -1.92 -3.34 113.55 117.19 2wkj h SER 266 Ca -0.38 -0.13 -0.49 0.00 -0.84 0.00 0.00 61.79 59.95 2wkj h SER 266 Cb 1.17 -0.17 -0.39 0.00 0.14 0.00 0.00 62.40 63.15 2wkj h SER 266 CO 0.58 0.61 -0.77 -0.69 -1.14 0.00 0.00 176.83 175.42 2wkj s VAL 267 N -5.69 0.46 -0.10 2.27 1.01 -1.26 -5.03 120.40 112.06 2wkj s VAL 267 Ca -0.13 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2wkj s VAL 267 Cb 0.12 -0.85 0.09 0.00 0.00 0.00 0.00 36.38 35.74 2wkj s VAL 267 CO 0.76 -0.05 1.63 -0.81 0.00 0.00 0.00 175.10 176.63 2wkj n PRO 268 N 5.09 1.25 -3.40 2.72 -0.04 -1.26 -4.48 135.00 134.88 2wkj n PRO 268 Ca -0.08 -0.54 -0.36 0.00 -0.04 0.00 0.00 63.50 62.48 2wkj n PRO 268 Cb 0.48 -1.21 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.61 4.38 0.63 1.53 1.43 -1.26 -4.46 118.68 120.32 2wkj s LEU 269 Ca 0.10 1.04 -0.03 0.00 -1.03 0.00 0.00 54.13 54.21 2wkj s LEU 269 Cb 0.08 -3.11 0.05 0.00 0.03 0.00 0.00 46.19 43.25 2wkj s LEU 269 CO 0.01 0.16 0.90 0.00 0.23 0.00 0.00 176.35 177.64 2wkj s ARG 271 N -5.01 4.17 0.33 0.00 0.52 -1.26 -4.87 118.95 112.83 2wkj s ARG 271 Ca 0.59 0.87 -0.29 0.00 -0.52 0.00 0.00 55.73 56.38 2wkj s ARG 271 Cb -0.10 -2.54 -0.11 0.00 0.52 0.00 0.00 34.95 32.71 2wkj s ARG 271 CO 0.42 0.20 1.53 1.63 0.02 0.00 0.00 175.30 179.10 2wkj n LYS 272 N -0.03 2.67 -0.10 3.54 4.76 -1.26 -1.34 118.16 126.39 2wkj n LYS 272 Ca 0.02 0.94 0.09 0.00 -2.87 0.00 0.00 58.31 56.50 2wkj n LYS 272 Cb 0.52 -2.69 0.33 0.00 -1.84 0.00 0.00 35.03 31.35 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 1.29 1.74 -1.68 1.97 -0.04 -1.26 -5.05 135.00 131.97 2wkj n PRO 273 Ca 0.05 -1.13 -0.45 0.00 -0.04 0.00 0.00 63.50 61.93 2wkj n PRO 273 Cb 0.38 -1.37 -0.04 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 0.36 2.35 -2.44 0.54 3.72 -0.45 -5.01 117.46 116.53 2wkj n PHE 274 Ca 0.15 0.27 -0.25 0.00 -0.05 0.00 0.00 57.45 57.57 2wkj n PHE 274 Cb 0.32 -2.55 0.12 0.00 -0.94 0.00 0.00 39.48 36.44 2wkj n PHE 274 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2wkj s GLY 275 N 0.82 1.76 0.86 1.37 0.00 -1.26 -4.70 107.32 106.17 2wkj s GLY 275 Ca 0.76 -1.60 -0.12 0.00 0.00 0.00 0.00 44.72 43.75 2wkj s GLY 275 CO 0.40 -0.99 1.13 2.56 0.00 0.00 0.00 173.10 176.19 2wkj s PRO 276 N -5.31 1.56 0.29 2.90 0.04 -1.26 -4.77 135.00 128.46 2wkj s PRO 276 Ca 0.68 0.35 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 2wkj s PRO 276 Cb -0.05 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 2wkj s PRO 276 CO 0.46 -1.92 1.32 0.08 0.04 0.00 0.00 177.00 176.98 2wkj s VAL 277 N -3.30 2.83 0.19 -0.36 1.01 -1.26 -4.96 120.40 114.55 2wkj s VAL 277 Ca 0.63 0.78 -0.32 0.00 0.00 0.00 0.00 61.98 63.06 2wkj s VAL 277 Cb -0.14 -3.50 -0.12 0.00 0.00 0.00 0.00 36.38 32.63 2wkj s VAL 277 CO 0.53 0.16 1.75 -0.67 0.00 0.00 0.00 175.10 176.87 2wkj n ASP 278 N 1.41 4.00 -0.22 3.32 -0.08 -1.26 -4.88 116.55 118.84 2wkj n ASP 278 Ca 0.02 1.04 0.27 0.00 -1.51 0.00 0.00 54.79 54.61 2wkj n ASP 278 Cb 0.42 -1.57 0.66 0.00 2.34 0.00 0.00 41.12 42.97 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 7.16 0.12 0.00 -0.67 4.39 -2.03 -1.01 114.58 122.55 2wkj h GLU 279 Ca -0.44 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.25 2wkj h GLU 279 Cb 1.21 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2wkj h GLU 279 CO 0.95 0.08 -0.02 1.57 -1.16 0.00 0.00 179.01 180.43 2wkj h LYS 280 N 0.13 0.00 -0.01 2.33 2.10 -2.04 -2.24 116.57 116.85 2wkj h LYS 280 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 2wkj h LYS 280 Cb 1.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.96 2wkj h LYS 280 CO -0.07 0.02 -0.48 0.66 -2.00 0.00 0.00 179.45 177.58 2wkj n TYR 281 N -3.25 0.00 -0.26 0.07 4.01 -0.38 -4.45 117.16 112.89 2wkj n TYR 281 Ca -0.02 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.66 2wkj n TYR 281 Cb 0.16 -0.13 0.05 0.00 -0.31 0.00 0.00 39.34 39.11 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 0.82 1.00 -0.79 7.72 3.38 -1.51 -2.10 115.31 123.82 2wkj h LEU 282 Ca 0.00 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.83 2wkj h LEU 282 Cb 0.54 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2wkj h LEU 282 CO 0.00 0.90 0.50 -0.65 0.09 0.00 0.00 178.44 179.29 2wkj h PRO 283 N 1.04 0.95 -0.79 1.13 0.11 -1.79 -0.36 132.00 132.29 2wkj h PRO 283 Ca 0.24 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 2wkj h PRO 283 Cb 0.21 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 2wkj h PRO 283 CO -0.02 0.63 0.37 0.93 -0.21 0.00 0.00 178.00 179.70 2wkj h GLU 284 N 0.98 1.15 -0.29 1.05 5.08 -1.74 -1.47 114.58 119.33 2wkj h GLU 284 Ca 0.32 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 2wkj h GLU 284 Cb 0.03 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2wkj h GLU 284 CO -0.12 0.90 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.38 2wkj h LEU 285 N 1.13 0.66 -0.39 1.33 3.38 -0.93 -0.75 115.31 119.73 2wkj h LEU 285 Ca 0.27 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2wkj h LEU 285 Cb 0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2wkj h LEU 285 CO -0.03 0.94 -0.11 0.50 0.09 0.00 0.00 178.44 179.83 2wkj h LYS 286 N 0.53 0.77 -0.53 1.13 3.64 -0.88 -1.09 116.57 120.14 2wkj h LYS 286 Ca 0.06 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.06 2wkj h LYS 286 Cb 0.83 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 2wkj h LYS 286 CO 0.07 0.91 -0.00 0.00 -2.27 0.00 0.00 179.45 178.15 2wkj h ALA 287 N 0.83 1.00 -0.38 5.00 0.00 -1.16 -0.04 119.26 124.51 2wkj h ALA 287 Ca 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2wkj h ALA 287 Cb 0.64 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2wkj h ALA 287 CO 0.04 0.61 0.18 1.25 0.00 0.00 0.00 179.25 181.34 2wkj h LEU 288 N 0.83 0.50 -0.57 0.00 5.85 -0.94 0.12 115.31 121.10 2wkj h LEU 288 Ca 0.15 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2wkj h LEU 288 Cb 0.50 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2wkj h LEU 288 CO 0.02 0.49 0.35 0.00 -0.34 0.00 0.00 178.44 178.97 2wkj h ALA 289 N 1.03 0.73 -0.68 1.25 0.00 -0.73 -0.57 119.26 120.29 2wkj h ALA 289 Ca 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2wkj h ALA 289 Cb 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2wkj h ALA 289 CO -0.02 0.09 0.45 1.96 0.00 0.00 0.00 179.25 181.73 2wkj h GLN 290 N 0.70 0.88 -0.09 0.00 4.20 -0.67 -0.25 115.11 119.89 2wkj h GLN 290 Ca 0.22 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.90 2wkj h GLN 290 Cb -0.00 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2wkj h GLN 290 CO -0.09 0.58 -0.02 0.37 -0.67 0.00 0.00 178.83 179.01 2wkj h GLN 291 N 0.91 0.01 -0.34 1.46 4.15 -0.48 -1.57 115.11 119.25 2wkj h GLN 291 Ca 0.25 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.57 2wkj h GLN 291 Cb -0.09 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2wkj h GLN 291 CO -0.06 0.00 -0.21 -0.07 -1.93 0.00 0.00 178.83 176.56 2wkj h LEU 292 N 0.01 0.65 -0.86 -2.39 3.38 -0.90 -0.57 115.31 114.63 2wkj h LEU 292 Ca 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2wkj h LEU 292 Cb 0.06 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2wkj h LEU 292 CO -0.08 0.86 0.45 0.24 0.09 0.00 0.00 178.44 179.99 2wkj h MET 293 N 0.58 1.22 -0.19 1.13 2.86 -0.87 -1.35 114.93 118.30 2wkj h MET 293 Ca 0.09 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.43 2wkj h MET 293 Cb 0.67 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2wkj h MET 293 CO 0.05 0.91 -0.47 0.37 1.06 0.00 0.00 176.91 178.84 2wkj h GLN 294 N 1.21 0.50 -0.61 1.72 5.75 -0.90 -3.10 115.11 119.68 2wkj h GLN 294 Ca 0.30 -0.28 -0.10 0.00 -0.15 0.00 0.00 58.65 58.43 2wkj h GLN 294 Cb 0.07 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 2wkj h GLN 294 CO -0.04 0.86 0.00 1.49 -2.65 0.00 0.00 178.83 178.49 2wkj h GLU 295 N 0.40 1.07 -0.00 1.69 4.81 -0.71 -3.51 114.58 118.32 2wkj h GLU 295 Ca 0.02 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2wkj h GLU 295 Cb 0.97 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2wkj h GLU 295 CO 0.09 1.05 0.00 0.54 -0.73 0.00 0.00 179.01 179.95