#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 0.81 0.00 4.41 -0.00 -1.95 -1.51 115.15 116.91 2wkj h HIS 0 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2wkj h HIS 0 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.16 2wkj h HIS 0 CO 0.00 0.36 0.00 -2.39 -0.00 0.00 0.00 177.93 175.90 2wkj n HIS 1 N -4.74 0.00 -0.08 2.45 -0.00 -1.26 -2.58 115.22 109.01 2wkj n HIS 1 Ca 0.12 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.87 2wkj n HIS 1 Cb 0.23 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.30 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 -0.86 2.10 -0.15 1.59 0.00 -0.57 -4.72 120.51 117.90 2wkj n ALA 2 Ca 0.13 -1.06 0.27 0.00 0.00 0.00 0.00 53.44 52.78 2wkj n ALA 2 Cb 0.06 -0.22 0.72 0.00 0.00 0.00 0.00 19.45 20.01 2wkj n ALA 2 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2wkj h THR 3 N 1.04 0.57 0.00 0.00 1.35 -1.54 -0.53 112.91 113.80 2wkj h THR 3 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2wkj h THR 3 Cb 0.61 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2wkj h THR 3 CO 0.00 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 174.81 2wkj n ASN 4 N -4.27 0.00 -0.54 5.36 0.23 -1.26 -0.71 115.26 114.07 2wkj n ASN 4 Ca 0.17 -0.27 0.12 0.00 -0.53 0.00 0.00 54.58 54.08 2wkj n ASN 4 Cb 0.91 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.83 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 -0.96 1.90 -4.76 -4.53 4.77 -0.21 -4.95 117.00 108.27 2wkj n LEU 5 Ca 0.05 -0.64 -0.41 0.00 -0.03 0.00 0.00 56.01 54.99 2wkj n LEU 5 Cb 0.02 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2wkj n LEU 5 CO 0.04 0.34 0.95 -0.60 -1.33 0.00 0.00 177.39 176.79 2wkj s ARG 6 N -2.28 4.40 0.00 3.23 3.52 0.11 -4.91 118.95 123.02 2wkj s ARG 6 Ca 0.26 2.13 0.00 0.00 -0.13 0.00 0.00 55.73 57.99 2wkj s ARG 6 Cb 0.19 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 2wkj s ARG 6 CO 0.45 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 175.21 2wkj n GLY 7 N 1.11 0.73 3.20 8.12 0.00 -1.26 -5.06 105.19 112.04 2wkj n GLY 7 Ca 0.01 -1.76 -0.36 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 -2.90 3.20 -0.10 1.61 1.01 -1.26 -1.39 120.40 120.56 2wkj s VAL 8 Ca 0.00 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.70 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 -0.11 -0.15 -0.04 0.00 0.00 0.00 175.10 174.79 2wkj s MET 9 N 1.30 2.20 0.12 2.72 -1.94 -0.26 -1.79 119.30 121.63 2wkj s MET 9 Ca -0.04 -0.56 -0.30 0.00 -1.71 0.00 0.00 55.69 53.07 2wkj s MET 9 Cb -0.20 -1.84 -0.07 0.00 2.01 0.00 0.00 34.83 34.74 2wkj s MET 9 CO -0.00 -0.03 1.19 0.00 -0.01 0.00 0.00 175.02 176.17 2wkj s ALA 10 N 0.87 3.41 -0.65 3.03 0.00 -0.76 -2.67 121.76 125.00 2wkj s ALA 10 Ca -0.09 0.88 -0.27 0.00 0.00 0.00 0.00 51.96 52.48 2wkj s ALA 10 Cb -0.15 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2wkj s ALA 10 CO 0.00 -0.39 1.49 0.00 0.00 0.00 0.00 175.76 176.87 2wkj s ALA 11 N 0.54 2.60 0.22 0.00 0.00 -0.33 -0.46 121.76 124.32 2wkj s ALA 11 Ca 0.56 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 2wkj s ALA 11 Cb -0.31 -4.22 -0.09 0.00 0.00 0.00 0.00 23.12 18.50 2wkj s ALA 11 CO 0.32 -3.36 1.33 -1.17 0.00 0.00 0.00 175.76 172.88 2wkj s LEU 12 N 6.82 4.41 0.66 0.00 2.96 -0.21 -4.48 118.68 128.85 2wkj s LEU 12 Ca 0.50 2.47 -0.11 0.00 -0.22 0.00 0.00 54.13 56.76 2wkj s LEU 12 Cb -0.10 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 2wkj s LEU 12 CO 0.20 -0.55 1.05 -0.76 -1.32 0.00 0.00 176.35 174.97 2wkj s LEU 13 N -0.31 3.21 -0.33 -0.68 1.43 -1.26 -2.93 118.68 117.81 2wkj s LEU 13 Ca 0.56 1.57 -0.03 0.00 -1.03 0.00 0.00 54.13 55.20 2wkj s LEU 13 Cb -0.38 -4.49 0.06 0.00 0.03 0.00 0.00 46.19 41.41 2wkj s LEU 13 CO 0.40 -1.22 0.07 -0.89 0.23 0.00 0.00 176.35 174.94 2wkj s THR 14 N -3.02 3.29 0.29 5.49 2.01 -1.26 -4.92 115.64 117.52 2wkj s THR 14 Ca 0.58 -1.42 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 2wkj s THR 14 Cb -0.13 -2.95 -0.10 0.00 0.01 0.00 0.00 72.50 69.34 2wkj s THR 14 CO 0.52 -0.23 1.17 -2.84 -0.69 0.00 0.00 174.62 172.55 2wkj s PRO 15 N 1.28 4.54 0.19 4.92 0.02 -1.26 -4.98 135.00 139.71 2wkj s PRO 15 Ca -0.02 1.94 0.11 0.00 0.02 0.00 0.00 61.00 63.05 2wkj s PRO 15 Cb -0.20 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 2wkj s PRO 15 CO -0.00 0.06 -0.20 -0.06 -0.33 0.00 0.00 177.00 176.47 2wkj s PHE 16 N -1.06 2.39 0.32 6.54 0.08 -1.26 -1.35 117.98 123.64 2wkj s PHE 16 Ca 0.47 -0.32 -0.02 0.00 0.12 0.00 0.00 56.93 57.18 2wkj s PHE 16 Cb -0.34 -1.18 0.07 0.00 -0.57 0.00 0.00 43.02 41.00 2wkj s PHE 16 CO 0.44 0.51 0.44 -0.40 -0.10 0.00 0.00 175.22 176.11 2wkj n ASP 17 N 0.17 0.43 0.27 1.36 5.68 0.60 -4.44 116.55 120.62 2wkj n ASP 17 Ca -0.12 -1.40 0.13 0.00 -0.50 0.00 0.00 54.79 52.90 2wkj n ASP 17 Cb 0.56 -0.30 0.74 0.00 -1.14 0.00 0.00 41.12 40.99 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 -0.38 0.11 1.08 -1.92 -0.55 115.11 113.45 2wkj h GLN 18 Ca -0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2wkj h GLN 18 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2wkj h GLN 18 CO 0.14 0.10 0.00 1.04 -0.95 0.00 0.00 178.83 179.16 2wkj n GLN 19 N -3.72 2.01 -1.16 1.46 3.00 -1.26 -4.93 117.38 112.79 2wkj n GLN 19 Ca -0.02 -1.56 -0.06 0.00 -0.01 0.00 0.00 57.00 55.36 2wkj n GLN 19 Cb 0.21 -1.38 -0.02 0.00 0.00 0.00 0.00 30.24 29.05 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 0.76 -0.86 -2.17 -1.09 6.02 -0.22 -5.03 117.38 114.80 2wkj n GLN 20 Ca 0.16 0.58 -0.28 0.00 -0.01 0.00 0.00 57.00 57.44 2wkj n GLN 20 Cb 0.39 -4.43 0.04 0.00 1.02 0.00 0.00 30.24 27.26 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 -1.97 3.13 0.20 -1.58 0.00 -1.26 -4.73 121.76 115.55 2wkj s ALA 21 Ca 0.00 -0.52 -0.32 0.00 0.00 0.00 0.00 51.96 51.12 2wkj s ALA 21 Cb 0.00 -2.80 -0.13 0.00 0.00 0.00 0.00 23.12 20.19 2wkj s ALA 21 CO 0.00 -0.92 1.56 -0.11 0.00 0.00 0.00 175.76 176.29 2wkj n LEU 22 N -2.75 3.39 -4.34 0.00 7.94 -1.26 -0.29 117.00 119.68 2wkj n LEU 22 Ca 0.05 1.10 -0.46 0.00 -1.11 0.00 0.00 56.01 55.59 2wkj n LEU 22 Cb 0.57 -1.47 -0.04 0.00 0.53 0.00 0.00 43.42 43.02 2wkj n LEU 22 CO 0.55 -0.21 0.35 -0.62 -1.11 0.00 0.00 177.39 176.35 2wkj s ASP 23 N 0.75 6.46 0.21 1.96 -1.08 -0.46 -4.60 116.67 119.91 2wkj s ASP 23 Ca 0.74 -2.14 -0.04 0.00 -0.52 0.00 0.00 52.55 50.59 2wkj s ASP 23 Cb -0.62 -2.23 0.18 0.00 -1.46 0.00 0.00 42.92 38.78 2wkj s ASP 23 CO 0.41 -0.79 1.60 0.11 0.52 0.00 0.00 175.17 177.03 2wkj h LYS 24 N 8.46 0.71 -0.87 4.34 1.57 -1.92 -1.62 116.57 127.25 2wkj h LYS 24 Ca -0.10 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 2wkj h LYS 24 Cb 1.07 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 2wkj h LYS 24 CO 0.93 0.92 0.46 0.00 -0.57 0.00 0.00 179.45 181.19 2wkj h ALA 25 N 1.06 1.11 -0.08 3.86 0.00 -1.98 -0.87 119.26 122.36 2wkj h ALA 25 Ca 0.07 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2wkj h ALA 25 Cb 0.82 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2wkj h ALA 25 CO 0.07 0.64 -0.60 0.77 0.00 0.00 0.00 179.25 180.12 2wkj h SER 26 N 1.22 0.32 -0.28 0.00 0.02 -1.75 -0.85 113.55 112.22 2wkj h SER 26 Ca 0.30 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2wkj h SER 26 Cb 0.06 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2wkj h SER 26 CO -0.05 0.85 0.16 0.25 -1.14 0.00 0.00 176.83 176.91 2wkj h LEU 27 N 0.21 0.34 -0.54 5.07 5.85 -0.93 0.80 115.31 126.11 2wkj h LEU 27 Ca -0.01 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2wkj h LEU 27 Cb 1.11 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2wkj h LEU 27 CO 0.10 0.31 0.05 0.03 -0.34 0.00 0.00 178.44 178.59 2wkj h ARG 28 N 0.35 0.91 -0.66 1.25 3.08 -0.92 -0.54 114.38 117.85 2wkj h ARG 28 Ca 0.10 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 59.92 2wkj h ARG 28 Cb 0.03 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 2wkj h ARG 28 CO -0.02 0.90 0.41 0.00 -1.07 0.00 0.00 179.97 180.20 2wkj h ARG 29 N 0.79 0.79 -0.53 0.04 3.08 -0.97 -1.23 114.38 116.36 2wkj h ARG 29 Ca 0.16 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.06 2wkj h ARG 29 Cb 0.46 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2wkj h ARG 29 CO 0.02 0.52 -0.09 1.25 -1.07 0.00 0.00 179.97 180.60 2wkj h LEU 30 N 0.81 0.97 -0.01 3.04 5.85 -0.32 0.14 115.31 125.80 2wkj h LEU 30 Ca 0.27 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2wkj h LEU 30 Cb 0.02 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2wkj h LEU 30 CO -0.10 1.07 -0.07 0.58 -0.34 0.00 0.00 178.44 179.57 2wkj h VAL 31 N 0.87 0.81 -0.85 1.05 2.07 -0.77 -1.90 116.25 117.52 2wkj h VAL 31 Ca 0.14 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2wkj h VAL 31 Cb 0.63 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2wkj h VAL 31 CO 0.04 0.00 0.45 1.56 0.02 0.00 0.00 177.57 179.64 2wkj h GLN 32 N -0.13 1.20 -0.67 1.57 1.08 -0.89 -1.40 115.11 115.87 2wkj h GLN 32 Ca 0.03 -0.15 0.04 0.00 -1.45 0.00 0.00 58.65 57.13 2wkj h GLN 32 Cb 0.17 -0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 27.32 2wkj h GLN 32 CO -0.08 0.89 0.40 0.35 -0.95 0.00 0.00 178.83 179.44 2wkj h PHE 33 N 1.20 0.74 -0.43 2.96 3.57 -0.60 0.56 116.94 124.92 2wkj h PHE 33 Ca 0.30 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 2wkj h PHE 33 Cb 0.05 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2wkj h PHE 33 CO 0.01 0.39 0.04 -0.91 -2.23 0.00 0.00 178.31 175.61 2wkj h ASN 34 N 0.76 0.72 -0.20 0.41 2.35 -0.93 -1.80 115.58 116.88 2wkj h ASN 34 Ca 0.29 -0.28 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2wkj h ASN 34 Cb 0.11 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2wkj h ASN 34 CO -0.14 0.82 0.08 0.40 -1.65 0.00 0.00 177.43 176.94 2wkj h ILE 35 N 0.59 0.97 0.00 2.81 2.04 -0.73 -2.58 117.51 120.61 2wkj h ILE 35 Ca 0.13 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 2wkj h ILE 35 Cb 0.43 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2wkj h ILE 35 CO 0.01 0.03 -0.13 1.56 0.00 0.00 0.00 178.15 179.63 2wkj h GLN 36 N 0.19 0.00 0.00 2.37 4.20 -0.68 -0.86 115.11 120.32 2wkj h GLN 36 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2wkj h GLN 36 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2wkj h GLN 36 CO -0.08 0.13 0.00 1.96 -0.67 0.00 0.00 178.83 180.17 2wkj h GLN 37 N 0.00 0.00 0.00 1.46 4.20 -0.93 -3.47 115.11 116.37 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 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2wkj h GLN 37 CO 0.02 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 2wkj n GLY 38 N 0.05 0.58 3.70 3.46 0.00 -0.33 -4.64 105.19 108.02 2wkj n GLY 38 Ca 0.01 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.74 4.11 0.16 -0.61 0.13 -1.12 -4.93 119.36 114.36 2wkj n ILE 39 Ca 0.00 -0.50 0.03 0.00 -1.10 0.00 0.00 62.75 61.18 2wkj n ILE 39 Cb 0.02 -1.47 0.16 0.00 -0.84 0.00 0.00 39.64 37.52 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 0.93 0.00 -5.93 9.51 3.32 -1.71 -3.47 116.42 119.07 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 1.33 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.79 2wkj h ASP 40 CO 0.54 0.49 0.97 -0.83 -1.72 0.00 0.00 179.24 178.69 2wkj s GLY 41 N -4.43 -0.26 -0.02 2.75 0.00 -1.24 -1.92 107.32 102.20 2wkj s GLY 41 Ca 0.02 0.30 0.05 0.00 0.00 0.00 0.00 44.72 45.09 2wkj s GLY 41 CO 0.72 4.89 -0.16 1.08 0.00 0.00 0.00 173.10 179.63 2wkj s LEU 42 N -3.68 2.00 -0.32 0.66 1.43 0.06 -1.83 118.68 117.00 2wkj s LEU 42 Ca 0.27 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 2wkj s LEU 42 Cb 0.02 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.40 2wkj s LEU 42 CO -0.03 0.19 0.09 -0.47 0.23 0.00 0.00 176.35 176.36 2wkj s TYR 43 N -0.28 3.19 -0.12 0.29 5.04 0.39 -0.95 117.35 124.92 2wkj s TYR 43 Ca 0.04 -1.19 -0.02 0.00 -2.44 0.00 0.00 57.07 53.46 2wkj s TYR 43 Cb -0.07 -2.26 -0.03 0.00 0.35 0.00 0.00 41.96 39.94 2wkj s TYR 43 CO -0.00 -0.65 -0.04 0.08 -1.34 0.00 0.00 175.55 173.60 2wkj s VAL 44 N 1.45 3.90 -0.68 3.14 1.01 0.17 -1.04 120.40 128.35 2wkj s VAL 44 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2wkj s VAL 44 Cb -0.18 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2wkj s VAL 44 CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2wkj n GLY 45 N 2.92 0.25 0.00 4.51 0.00 -1.26 -0.08 105.19 111.53 2wkj n GLY 45 Ca -0.18 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.23 -0.54 0.20 -0.02 0.00 -1.26 -4.54 105.19 97.81 2wkj n GLY 46 Ca -0.09 -1.72 -0.02 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.13 0.18 1.61 0.02 -1.96 -1.39 113.55 111.88 2wkj h SER 47 Ca 0.00 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2wkj h SER 47 Cb 0.00 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2wkj h SER 47 CO 0.00 -0.04 -0.15 0.74 -1.14 0.00 0.00 176.83 176.24 2wkj h THR 48 N 0.16 1.01 -0.01 -2.27 2.02 -1.90 -1.75 112.91 110.18 2wkj h THR 48 Ca 0.26 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2wkj h THR 48 Cb 0.38 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2wkj h THR 48 CO -0.39 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.25 2wkj n GLY 49 N -1.04 -0.95 2.63 2.16 0.00 -0.54 -4.36 105.19 103.10 2wkj n GLY 49 Ca -0.02 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.74 -3.18 -0.34 1.61 1.02 -0.66 -4.19 120.64 114.16 2wkj n GLU 50 Ca 0.14 0.77 0.08 0.00 -0.02 0.00 0.00 57.16 58.13 2wkj n GLU 50 Cb 0.07 -5.26 0.25 0.00 -0.02 0.00 0.00 31.44 26.49 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 0.81 1.47 -0.07 0.62 0.00 -1.71 -2.22 119.26 118.16 2wkj h ALA 51 Ca -0.42 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2wkj h ALA 51 Cb 1.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wkj h ALA 51 CO 0.47 0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.96 2wkj n PHE 52 N -4.74 0.09 -1.20 0.00 3.72 -1.26 -1.60 117.46 112.48 2wkj n PHE 52 Ca 0.19 -0.05 0.09 0.00 -0.05 0.00 0.00 57.45 57.63 2wkj n PHE 52 Cb 0.43 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 39.14 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 -0.33 2.01 -4.39 -4.37 0.24 -0.84 -5.02 118.33 105.63 2wkj n VAL 53 Ca 0.13 -2.48 -0.28 0.00 -2.04 0.00 0.00 64.34 59.68 2wkj n VAL 53 Cb 0.16 -0.24 -0.12 0.00 -1.47 0.00 0.00 33.84 32.16 2wkj n VAL 53 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2wkj s GLN 54 N -2.97 1.57 0.75 7.34 -0.21 -0.63 -5.05 119.66 120.46 2wkj s GLN 54 Ca 0.35 -1.42 -0.11 0.00 0.02 0.00 0.00 55.36 54.19 2wkj s GLN 54 Cb 0.31 -1.92 0.04 0.00 1.00 0.00 0.00 33.01 32.44 2wkj s GLN 54 CO 0.01 0.42 1.10 -1.54 -2.12 0.00 0.00 175.29 173.16 2wkj s SER 55 N -2.48 5.02 0.21 5.90 1.04 -1.26 -4.88 113.70 117.24 2wkj s SER 55 Ca 0.19 1.20 -0.10 0.00 0.48 0.00 0.00 55.95 57.73 2wkj s SER 55 Cb -0.09 -1.97 0.21 0.00 0.10 0.00 0.00 66.02 64.28 2wkj s SER 55 CO 0.09 -1.62 1.82 -0.07 0.98 0.00 0.00 173.24 174.44 2wkj h LEU 56 N -0.85 0.58 -0.90 2.42 3.38 -1.99 -1.42 115.31 116.53 2wkj h LEU 56 Ca -0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2wkj h LEU 56 Cb 1.26 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 2wkj h LEU 56 CO 0.62 0.39 0.57 -1.28 0.09 0.00 0.00 178.44 178.82 2wkj h SER 57 N 0.72 1.07 -0.53 -0.43 0.87 -1.99 -0.39 113.55 112.87 2wkj h SER 57 Ca 0.28 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 2wkj h SER 57 Cb 0.13 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 2wkj h SER 57 CO -0.15 0.80 0.07 -0.33 -0.53 0.00 0.00 176.83 176.69 2wkj h GLU 58 N 1.24 0.88 -0.68 2.24 5.08 -1.83 -0.46 114.58 121.05 2wkj h GLU 58 Ca 0.33 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2wkj h GLU 58 Cb -0.09 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2wkj h GLU 58 CO -0.06 0.87 0.16 0.00 -1.00 0.00 0.00 179.01 178.97 2wkj h ARG 59 N 0.76 1.10 -0.59 2.33 3.08 -0.89 -2.18 114.38 117.99 2wkj h ARG 59 Ca 0.16 -0.27 0.05 0.00 0.07 0.00 0.00 59.98 59.98 2wkj h ARG 59 Cb 0.42 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 2wkj h ARG 59 CO 0.01 0.98 0.33 0.93 -1.07 0.00 0.00 179.97 181.15 2wkj h GLU 60 N 1.03 0.60 -0.59 0.04 5.08 -0.81 -1.17 114.58 118.76 2wkj h GLU 60 Ca 0.21 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2wkj h GLU 60 Cb 0.38 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2wkj h GLU 60 CO 0.00 0.40 0.38 0.37 -1.00 0.00 0.00 179.01 179.16 2wkj h GLN 61 N 0.62 0.74 -0.24 2.33 4.15 -0.69 -0.03 115.11 122.00 2wkj h GLN 61 Ca 0.26 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 2wkj h GLN 61 Cb 0.13 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 2wkj h GLN 61 CO -0.15 0.49 0.10 0.28 -1.93 0.00 0.00 178.83 177.61 2wkj h VAL 62 N 0.76 1.17 -0.75 2.39 2.07 -1.13 -1.84 116.25 118.92 2wkj h VAL 62 Ca 0.23 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.29 2wkj h VAL 62 Cb -0.04 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2wkj h VAL 62 CO -0.07 0.17 0.45 -0.07 0.02 0.00 0.00 177.57 178.07 2wkj h LEU 63 N 0.24 0.71 -0.31 2.57 3.38 -0.84 -0.63 115.31 120.44 2wkj h LEU 63 Ca 0.08 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2wkj h LEU 63 Cb 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2wkj h LEU 63 CO -0.01 0.47 0.15 -0.08 0.09 0.00 0.00 178.44 179.06 2wkj h GLU 64 N 0.85 0.44 -0.43 1.13 4.81 -0.84 -1.70 114.58 118.83 2wkj h GLU 64 Ca 0.32 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.36 2wkj h GLU 64 Cb 0.13 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2wkj h GLU 64 CO -0.16 0.41 -0.23 0.82 -0.73 0.00 0.00 179.01 179.12 2wkj h ILE 65 N 0.36 1.27 -0.46 2.32 2.04 -1.00 -1.35 117.51 120.70 2wkj h ILE 65 Ca 0.11 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 2wkj h ILE 65 Cb 0.11 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2wkj h ILE 65 CO -0.01 0.47 0.17 0.58 0.00 0.00 0.00 178.15 179.36 2wkj h VAL 66 N 0.74 1.21 -0.86 1.67 2.07 -1.00 -1.84 116.25 118.25 2wkj h VAL 66 Ca 0.09 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.97 2wkj h VAL 66 Cb 0.80 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 2wkj h VAL 66 CO 0.07 0.24 0.56 0.00 0.02 0.00 0.00 177.57 178.46 2wkj h ALA 67 N 1.02 1.10 -0.56 1.67 0.00 -1.20 0.24 119.26 121.52 2wkj h ALA 67 Ca 0.15 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2wkj h ALA 67 Cb 0.21 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 2wkj h ALA 67 CO -0.01 0.46 0.19 0.93 0.00 0.00 0.00 179.25 180.82 2wkj h GLU 68 N 1.13 0.35 0.01 0.00 5.08 -0.68 -0.38 114.58 120.08 2wkj h GLU 68 Ca 0.32 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.45 2wkj h GLU 68 Cb -0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2wkj h GLU 68 CO -0.08 0.23 -0.92 0.93 -1.00 0.00 0.00 179.01 178.17 2wkj h GLU 69 N 0.36 0.29 0.00 2.33 4.39 -0.91 -3.41 114.58 117.63 2wkj h GLU 69 Ca 0.28 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2wkj h GLU 69 Cb 0.35 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2wkj h GLU 69 CO -0.30 1.03 -0.40 0.00 -1.16 0.00 0.00 179.01 178.17 2wkj n ALA 70 N -2.50 1.57 -1.67 3.43 0.00 0.03 -4.97 120.51 116.41 2wkj n ALA 70 Ca -0.05 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.94 2wkj n ALA 70 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.99 2.10 0.00 0.00 4.81 -0.17 -1.04 118.16 122.87 2wkj n LYS 71 Ca 0.00 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2wkj n LYS 71 Cb 0.00 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 32.59 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 2.67 2.67 0.13 3.14 0.00 -1.26 -4.83 105.19 107.71 2wkj n GLY 72 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.14 1.61 5.02 -0.21 -5.02 118.16 114.10 2wkj n LYS 73 Ca 0.00 0.22 -0.10 0.00 -2.02 0.00 0.00 58.31 56.41 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 0.06 0.39 -0.18 -4.36 -1.17 -5.06 121.20 108.35 2wkj s ILE 74 Ca -0.31 -1.88 -0.25 0.00 -0.26 0.00 0.00 60.65 57.95 2wkj s ILE 74 Cb 0.09 -2.19 -0.09 0.00 1.25 0.00 0.00 42.46 41.52 2wkj s ILE 74 CO 0.64 -0.28 1.10 -0.54 0.24 0.00 0.00 174.94 176.11 2wkj s LYS 75 N -4.08 4.17 -0.12 0.37 -0.14 -0.81 -4.74 119.74 114.39 2wkj s LYS 75 Ca 0.28 1.67 0.00 0.00 -1.36 0.00 0.00 55.97 56.57 2wkj s LYS 75 Cb 0.07 -2.66 0.02 0.00 -1.68 0.00 0.00 37.83 33.57 2wkj s LYS 75 CO 0.05 -0.18 -0.12 -0.51 -0.76 0.00 0.00 175.35 173.84 2wkj s LEU 76 N -2.46 1.48 -0.18 3.17 1.43 -1.26 -0.76 118.68 120.10 2wkj s LEU 76 Ca 0.56 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2wkj s LEU 76 Cb -0.27 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 44.95 2wkj s LEU 76 CO 0.33 -0.07 -0.15 -0.63 0.23 0.00 0.00 176.35 176.07 2wkj s ILE 77 N 1.47 2.60 -0.34 -0.59 1.01 -0.12 -0.49 121.20 124.74 2wkj s ILE 77 Ca 0.02 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 59.74 2wkj s ILE 77 Cb -0.13 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 2wkj s ILE 77 CO -0.08 0.50 0.40 0.00 0.00 0.00 0.00 174.94 175.77 2wkj s ALA 78 N 1.12 3.49 -0.42 9.38 0.00 -0.36 -0.65 121.76 134.32 2wkj s ALA 78 Ca 0.01 -1.14 -0.29 0.00 0.00 0.00 0.00 51.96 50.54 2wkj s ALA 78 Cb -0.14 -2.87 0.02 0.00 0.00 0.00 0.00 23.12 20.13 2wkj s ALA 78 CO -0.05 -1.10 1.13 -1.58 0.00 0.00 0.00 175.76 174.16 2wkj s HIS 79 N 2.12 2.91 -1.42 0.00 2.46 0.89 -0.69 115.29 121.56 2wkj s HIS 79 Ca 0.14 0.87 0.13 0.00 0.47 0.00 0.00 55.06 56.66 2wkj s HIS 79 Cb -0.16 -4.19 0.19 0.00 -0.13 0.00 0.00 32.58 28.28 2wkj s HIS 79 CO 0.12 -1.14 1.04 1.33 -2.47 0.00 0.00 174.74 173.62 2wkj n VAL 80 N 6.54 0.35 -2.29 0.89 0.24 0.65 -4.60 118.33 120.10 2wkj n VAL 80 Ca 0.12 -0.67 -0.41 0.00 -2.04 0.00 0.00 64.34 61.34 2wkj n VAL 80 Cb 0.48 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 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 -1.04 2.81 0.30 7.63 0.00 -1.18 -4.25 107.32 111.57 2wkj s GLY 81 Ca 0.19 1.06 0.03 0.00 0.00 0.00 0.00 44.72 46.00 2wkj s GLY 81 CO 0.17 1.83 0.14 0.00 0.00 0.00 0.00 173.10 175.24 2wkj h VAL 83 N 2.23 1.16 -3.20 0.00 2.07 -1.94 -3.43 116.25 113.15 2wkj h VAL 83 Ca -0.35 -0.49 -0.53 0.00 0.82 0.00 0.00 66.70 66.15 2wkj h VAL 83 Cb 1.25 1.37 0.06 0.00 -1.52 0.00 0.00 31.29 32.45 2wkj h VAL 83 CO 0.55 0.14 0.83 -0.55 0.02 0.00 0.00 177.57 178.56 2wkj s SER 84 N -5.48 6.55 0.09 0.57 0.15 -1.26 -4.84 113.70 109.48 2wkj s SER 84 Ca -0.14 2.73 -0.18 0.00 0.70 0.00 0.00 55.95 59.07 2wkj s SER 84 Cb 0.05 -2.62 -0.08 0.00 -1.71 0.00 0.00 66.02 61.66 2wkj s SER 84 CO 0.68 -0.80 1.49 0.74 1.20 0.00 0.00 173.24 176.55 2wkj h THR 85 N 3.63 1.28 -0.62 6.45 2.02 -1.97 -2.48 112.91 121.23 2wkj h THR 85 Ca -0.45 -1.07 -0.06 0.00 0.77 0.00 0.00 66.41 65.59 2wkj h THR 85 Cb 1.21 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 69.03 2wkj h THR 85 CO 0.82 0.34 0.13 0.00 0.37 0.00 0.00 175.52 177.18 2wkj h ALA 86 N 0.78 1.07 -0.53 6.16 0.00 -1.98 -0.32 119.26 124.44 2wkj h ALA 86 Ca 0.07 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2wkj h ALA 86 Cb 0.53 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2wkj h ALA 86 CO 0.03 0.61 0.06 0.93 0.00 0.00 0.00 179.25 180.88 2wkj h GLU 87 N 0.93 0.90 -0.93 0.00 5.08 -1.96 -1.46 114.58 117.14 2wkj h GLU 87 Ca 0.20 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2wkj h GLU 87 Cb 0.36 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 2wkj h GLU 87 CO 0.00 0.89 0.62 0.77 -1.00 0.00 0.00 179.01 180.29 2wkj h SER 88 N 0.78 1.06 -0.64 1.42 0.02 -0.95 -2.23 113.55 113.01 2wkj h SER 88 Ca 0.16 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2wkj h SER 88 Cb 0.44 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2wkj h SER 88 CO 0.01 0.76 0.36 1.56 -1.14 0.00 0.00 176.83 178.38 2wkj h GLN 89 N 1.25 0.89 -0.29 3.45 4.20 -0.78 -0.09 115.11 123.74 2wkj h GLN 89 Ca 0.35 -0.10 0.05 0.00 0.06 0.00 0.00 58.65 59.01 2wkj h GLN 89 Cb -0.11 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.44 2wkj h GLN 89 CO -0.08 0.66 -0.04 0.37 -0.67 0.00 0.00 178.83 179.07 2wkj h GLN 90 N 0.87 0.04 -0.41 1.46 4.15 -0.81 -0.66 115.11 119.75 2wkj h GLN 90 Ca 0.23 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.57 2wkj h GLN 90 Cb 0.03 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2wkj h GLN 90 CO -0.04 0.02 -0.07 -0.07 -1.93 0.00 0.00 178.83 176.75 2wkj h LEU 91 N 0.04 0.67 -0.40 -2.39 3.38 -1.13 -1.74 115.31 113.74 2wkj h LEU 91 Ca 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2wkj h LEU 91 Cb 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2wkj h LEU 91 CO -0.27 0.79 0.19 0.00 0.09 0.00 0.00 178.44 179.24 2wkj h ALA 92 N 1.29 0.51 -0.94 1.53 0.00 -0.63 0.39 119.26 121.42 2wkj h ALA 92 Ca 0.12 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2wkj h ALA 92 Cb 0.50 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2wkj h ALA 92 CO 0.03 0.07 0.62 0.00 0.00 0.00 0.00 179.25 179.97 2wkj h ALA 93 N 1.04 1.40 -0.26 0.00 0.00 -0.85 -1.28 119.26 119.31 2wkj h ALA 93 Ca 0.14 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2wkj h ALA 93 Cb 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2wkj h ALA 93 CO -0.02 0.51 -0.09 0.77 0.00 0.00 0.00 179.25 180.43 2wkj h SER 94 N 1.18 0.52 -0.86 0.00 0.02 -0.91 -1.49 113.55 112.02 2wkj h SER 94 Ca 0.37 -0.38 0.10 0.00 -0.84 0.00 0.00 61.79 61.04 2wkj h SER 94 Cb 0.01 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.33 2wkj h SER 94 CO -0.11 0.79 0.50 0.00 -1.14 0.00 0.00 176.83 176.86 2wkj h ALA 95 N 0.75 1.24 -0.19 3.77 0.00 -0.53 -0.10 119.26 124.21 2wkj h ALA 95 Ca 0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2wkj h ALA 95 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2wkj h ALA 95 CO 0.03 0.10 0.09 -0.22 0.00 0.00 0.00 179.25 179.25 2wkj h LYS 96 N 0.81 0.27 -0.85 0.00 1.63 -1.10 -2.25 116.57 115.08 2wkj h LYS 96 Ca 0.42 -0.04 0.09 0.00 -0.85 0.00 0.00 60.65 60.28 2wkj h LYS 96 Cb 0.41 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.94 2wkj h LYS 96 CO -0.26 0.30 0.55 0.00 -3.45 0.00 0.00 179.45 176.58 2wkj h ARG 97 N 0.18 0.81 -0.01 1.90 3.08 -0.27 -1.24 114.38 118.82 2wkj h ARG 97 Ca 0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2wkj h ARG 97 Cb 0.11 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2wkj h ARG 97 CO -0.01 0.53 -0.07 0.66 -1.07 0.00 0.00 179.97 180.01 2wkj n TYR 98 N -4.52 0.00 -1.86 3.04 4.01 -0.15 -4.93 117.16 112.76 2wkj n TYR 98 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2wkj n TYR 98 Cb 0.30 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 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 1.20 0.47 3.71 2.72 0.00 -0.47 -4.84 105.19 107.98 2wkj n GLY 99 Ca 0.17 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 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 1.98 -0.20 1.61 0.40 -0.90 -4.93 117.98 113.95 2wkj s PHE 100 Ca 0.00 1.69 0.18 0.00 -0.60 0.00 0.00 56.93 58.21 2wkj s PHE 100 Cb 0.00 -3.27 0.01 0.00 0.51 0.00 0.00 43.02 40.27 2wkj s PHE 100 CO 0.00 -2.46 1.15 -0.44 0.70 0.00 0.00 175.22 174.17 2wkj h ASP 101 N -1.38 0.00 -5.01 1.36 3.32 -1.14 -3.47 116.42 110.11 2wkj h ASP 101 Ca -0.44 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 2wkj h ASP 101 Cb 1.26 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.69 2wkj h ASP 101 CO 0.46 0.34 0.16 0.00 -1.72 0.00 0.00 179.24 178.48 2wkj s ALA 102 N -3.08 -1.46 0.40 3.45 0.00 -1.00 -4.14 121.76 115.94 2wkj s ALA 102 Ca 0.01 0.35 0.07 0.00 0.00 0.00 0.00 51.96 52.39 2wkj s ALA 102 Cb 0.08 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 24.00 2wkj s ALA 102 CO 0.77 -0.76 0.15 0.14 0.00 0.00 0.00 175.76 176.05 2wkj s VAL 103 N -3.77 2.35 -0.03 0.00 -7.23 0.06 -1.22 120.40 110.56 2wkj s VAL 103 Ca 0.02 -1.75 -0.22 0.00 -1.81 0.00 0.00 61.98 58.22 2wkj s VAL 103 Cb -0.01 -2.98 0.04 0.00 0.56 0.00 0.00 36.38 34.00 2wkj s VAL 103 CO -0.12 -0.03 0.47 -0.55 -0.31 0.00 0.00 175.10 174.56 2wkj s SER 104 N -3.87 -0.39 -0.10 4.85 0.15 0.13 0.08 113.70 114.55 2wkj s SER 104 Ca 0.40 0.36 -0.04 0.00 0.70 0.00 0.00 55.95 57.36 2wkj s SER 104 Cb 0.04 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.81 2wkj s SER 104 CO 0.22 -0.52 0.22 0.00 1.20 0.00 0.00 173.24 174.36 2wkj s ALA 105 N -1.27 -0.45 0.54 5.45 0.00 -1.14 -0.26 121.76 124.64 2wkj s ALA 105 Ca -0.12 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 52.48 2wkj s ALA 105 Cb -0.03 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 2wkj s ALA 105 CO 0.07 -0.33 1.34 0.54 0.00 0.00 0.00 175.76 177.38 2wkj s VAL 106 N 1.63 2.14 0.13 0.00 0.11 -1.26 -2.37 120.40 120.78 2wkj s VAL 106 Ca -0.05 0.11 -0.32 0.00 -2.93 0.00 0.00 61.98 58.78 2wkj s VAL 106 Cb -0.11 -3.05 -0.12 0.00 -1.53 0.00 0.00 36.38 31.57 2wkj s VAL 106 CO -0.08 -0.00 1.76 0.35 -3.33 0.00 0.00 175.10 173.80 2wkj n THR 107 N -1.03 0.23 -1.80 5.04 -2.24 -1.04 -4.79 114.28 108.65 2wkj n THR 107 Ca 0.10 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.44 2wkj n THR 107 Cb 0.45 -1.93 0.01 0.00 -2.10 0.00 0.00 70.33 66.76 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 2.13 3.83 0.15 -0.78 0.04 -1.26 -4.95 135.00 134.15 2wkj s PRO 108 Ca 0.81 2.47 0.00 0.00 0.04 0.00 0.00 61.00 64.32 2wkj s PRO 108 Cb -0.55 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2wkj s PRO 108 CO 0.38 -0.72 0.02 1.97 0.04 0.00 0.00 177.00 178.68 2wkj n PHE 109 N 0.02 0.10 0.00 0.56 -1.74 -1.26 -4.86 117.46 110.27 2wkj n PHE 109 Ca 0.04 -0.71 0.00 0.00 -0.56 0.00 0.00 57.45 56.22 2wkj n PHE 109 Cb 0.41 -0.10 0.00 0.00 1.52 0.00 0.00 39.48 41.31 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 -0.44 0.00 -2.77 2.97 4.19 -1.26 -4.83 117.16 115.03 2wkj n TYR 110 Ca -0.05 0.00 -0.40 0.00 3.31 0.00 0.00 57.90 60.75 2wkj n TYR 110 Cb 0.18 0.00 -0.05 0.00 0.49 0.00 0.00 39.34 39.96 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 3.89 0.20 2.98 2.02 -1.26 -5.02 117.35 120.16 2wkj s TYR 111 Ca 0.00 1.83 -0.30 0.00 -0.37 0.00 0.00 57.07 58.23 2wkj s TYR 111 Cb 0.00 -2.99 -0.09 0.00 -0.40 0.00 0.00 41.96 38.48 2wkj s TYR 111 CO 0.00 0.34 1.33 -2.14 -1.57 0.00 0.00 175.55 173.51 2wkj s PRO 112 N -0.59 4.37 0.12 -1.71 0.02 -1.26 -5.03 135.00 130.92 2wkj s PRO 112 Ca 0.43 2.09 0.09 0.00 0.02 0.00 0.00 61.00 63.63 2wkj s PRO 112 Cb -0.24 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.05 2wkj s PRO 112 CO 0.30 -0.29 -0.23 -0.06 -0.33 0.00 0.00 177.00 176.40 2wkj s PHE 113 N 0.18 1.99 0.78 6.54 0.08 -1.26 -5.14 117.98 121.15 2wkj s PHE 113 Ca 0.58 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 57.11 2wkj s PHE 113 Cb -0.37 -1.07 0.06 0.00 -0.57 0.00 0.00 43.02 41.07 2wkj s PHE 113 CO 0.38 0.28 1.09 -1.54 -0.10 0.00 0.00 175.22 175.33 2wkj s SER 114 N -2.08 4.57 0.22 1.36 1.04 -1.26 -4.84 113.70 112.70 2wkj s SER 114 Ca 0.11 1.44 -0.09 0.00 0.48 0.00 0.00 55.95 57.89 2wkj s SER 114 Cb -0.09 -2.20 0.20 0.00 0.10 0.00 0.00 66.02 64.03 2wkj s SER 114 CO 0.05 -1.93 1.87 0.15 0.98 0.00 0.00 173.24 174.36 2wkj h PHE 115 N -1.06 0.93 -0.81 5.02 3.57 -2.00 -0.89 116.94 121.69 2wkj h PHE 115 Ca -0.46 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.06 2wkj h PHE 115 Cb 1.25 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 2wkj h PHE 115 CO 0.50 0.55 0.49 1.49 -2.23 0.00 0.00 178.31 179.11 2wkj h GLU 116 N 0.98 1.09 -0.56 1.11 4.57 -1.99 -0.71 114.58 119.06 2wkj h GLU 116 Ca 0.30 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 2wkj h GLU 116 Cb -0.02 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.31 2wkj h GLU 116 CO -0.10 0.76 0.30 0.93 -1.18 0.00 0.00 179.01 179.73 2wkj h GLU 117 N 1.11 0.78 -0.51 1.92 5.08 -1.72 -0.67 114.58 120.57 2wkj h GLU 117 Ca 0.29 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2wkj h GLU 117 Cb -0.05 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.00 2wkj h GLU 117 CO -0.05 0.60 0.21 0.45 -1.00 0.00 0.00 179.01 179.21 2wkj h HIS 118 N 0.75 0.37 -0.61 4.33 3.86 -0.50 -1.34 115.15 122.01 2wkj h HIS 118 Ca 0.20 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.38 2wkj h HIS 118 Cb 0.05 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 2wkj h HIS 118 CO -0.01 0.14 0.21 0.00 0.86 0.00 0.00 177.93 179.13 2wkj h ASP 120 N 0.87 0.51 0.14 0.00 3.32 -0.85 -1.04 116.42 119.37 2wkj h ASP 120 Ca 0.20 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2wkj h ASP 120 Cb 0.27 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2wkj h ASP 120 CO -0.01 0.66 -0.07 -0.74 -1.72 0.00 0.00 179.24 177.36 2wkj h HIS 121 N 0.49 -0.19 -0.83 4.55 2.76 -0.84 -0.88 115.15 120.22 2wkj h HIS 121 Ca 0.09 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 2wkj h HIS 121 Cb 0.48 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.47 2wkj h HIS 121 CO 0.02 -0.12 0.40 1.88 -1.30 0.00 0.00 177.93 178.81 2wkj h TYR 122 N -0.20 1.20 -0.71 5.26 0.05 -1.00 -1.86 116.97 119.71 2wkj h TYR 122 Ca -0.02 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.71 2wkj h TYR 122 Cb 0.16 -0.37 -0.04 0.00 1.01 0.00 0.00 36.73 37.49 2wkj h TYR 122 CO -0.07 0.87 0.47 0.00 -1.05 0.00 0.00 178.16 178.37 2wkj h ARG 123 N 1.18 0.94 -0.48 4.88 3.08 -0.89 -0.24 114.38 122.84 2wkj h ARG 123 Ca 0.29 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 2wkj h ARG 123 Cb 0.12 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2wkj h ARG 123 CO -0.04 0.62 0.14 0.00 -1.07 0.00 0.00 179.97 179.62 2wkj h ALA 124 N 1.26 0.64 -0.51 0.04 0.00 -0.93 -1.14 119.26 118.60 2wkj h ALA 124 Ca 0.26 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2wkj h ALA 124 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2wkj h ALA 124 CO -0.06 0.31 -0.07 0.82 0.00 0.00 0.00 179.25 180.26 2wkj h ILE 125 N 0.65 1.27 -0.84 0.00 2.04 -1.02 -1.98 117.51 117.63 2wkj h ILE 125 Ca 0.15 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.86 2wkj h ILE 125 Cb 0.30 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 2wkj h ILE 125 CO -0.00 0.42 0.53 0.40 0.00 0.00 0.00 178.15 179.49 2wkj h ILE 126 N 0.82 1.09 -0.17 -0.67 2.04 -0.85 -1.22 117.51 118.56 2wkj h ILE 126 Ca 0.14 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2wkj h ILE 126 Cb 0.62 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2wkj h ILE 126 CO 0.04 0.18 0.11 -0.78 0.00 0.00 0.00 178.15 177.70 2wkj h ASP 127 N 1.00 0.19 0.35 1.72 3.58 -0.90 -2.71 116.42 119.65 2wkj h ASP 127 Ca 0.35 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.76 2wkj h ASP 127 Cb 0.08 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2wkj h ASP 127 CO -0.14 0.14 -0.15 0.28 -2.88 0.00 0.00 179.24 176.49 2wkj h SER 128 N 0.23 0.00 0.87 2.28 0.02 -0.84 -1.53 113.55 114.58 2wkj h SER 128 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2wkj h SER 128 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2wkj h SER 128 CO -0.01 0.15 0.00 0.00 -1.14 0.00 0.00 176.83 175.83 2wkj n ALA 129 N -2.33 2.04 -4.01 3.77 0.00 -0.51 -3.78 120.51 115.69 2wkj n ALA 129 Ca -0.02 -0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 2wkj n ALA 129 Cb 0.26 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.67 -0.46 0.00 0.00 2.03 -0.58 -2.25 116.55 113.63 2wkj n ASP 130 Ca 0.05 -1.07 0.00 0.00 0.52 0.00 0.00 54.79 54.29 2wkj n ASP 130 Cb 0.28 -2.75 0.00 0.00 -0.72 0.00 0.00 41.12 37.93 2wkj n ASP 130 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wkj n GLY 131 N -2.09 2.38 3.73 0.27 0.00 -1.26 -5.09 105.19 103.13 2wkj n GLY 131 Ca -0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 4.40 0.73 0.99 1.02 -0.95 -5.00 118.68 119.87 2wkj s LEU 132 Ca 0.00 2.34 -0.14 0.00 0.02 0.00 0.00 54.13 56.35 2wkj s LEU 132 Cb 0.00 -3.60 0.04 0.00 0.02 0.00 0.00 46.19 42.65 2wkj s LEU 132 CO 0.00 -0.54 1.15 -2.16 0.02 0.00 0.00 176.35 174.82 2wkj s PRO 133 N 0.25 2.28 -0.14 1.29 0.04 -1.26 -4.64 135.00 132.83 2wkj s PRO 133 Ca 0.58 1.52 -0.06 0.00 0.04 0.00 0.00 61.00 63.08 2wkj s PRO 133 Cb -0.36 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2wkj s PRO 133 CO 0.36 -1.67 0.07 1.41 0.04 0.00 0.00 177.00 177.20 2wkj s MET 134 N -4.19 3.54 -0.41 4.56 1.75 -0.17 -0.76 119.30 123.63 2wkj s MET 134 Ca 0.69 -0.30 -0.10 0.00 -1.25 0.00 0.00 55.69 54.72 2wkj s MET 134 Cb -0.23 -3.09 0.06 0.00 2.84 0.00 0.00 34.83 34.41 2wkj s MET 134 CO 0.47 0.54 0.25 0.08 -0.65 0.00 0.00 175.02 175.70 2wkj s VAL 135 N -0.38 4.45 0.25 10.11 1.01 0.11 -1.12 120.40 134.83 2wkj s VAL 135 Ca 0.09 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 2wkj s VAL 135 Cb -0.12 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2wkj s VAL 135 CO 0.02 -0.41 1.39 -0.69 0.00 0.00 0.00 175.10 175.40 2wkj s VAL 136 N 1.49 2.80 -0.24 2.92 1.01 -0.59 -2.89 120.40 124.91 2wkj s VAL 136 Ca 0.02 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.70 2wkj s VAL 136 Cb -0.22 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.77 2wkj s VAL 136 CO 0.04 0.12 -0.12 -0.47 0.00 0.00 0.00 175.10 174.67 2wkj s TYR 137 N -0.15 3.10 -0.26 5.22 5.04 -1.00 -4.34 117.35 124.97 2wkj s TYR 137 Ca 0.57 -1.95 -0.05 0.00 -2.44 0.00 0.00 57.07 53.20 2wkj s TYR 137 Cb -0.40 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 39.94 2wkj s TYR 137 CO 0.43 -0.82 0.01 1.21 -1.34 0.00 0.00 175.55 175.04 2wkj s ASN 138 N 1.21 4.70 -0.40 4.32 3.04 -1.26 -2.48 114.94 124.07 2wkj s ASN 138 Ca -0.03 -0.57 0.06 0.00 0.04 0.00 0.00 52.86 52.37 2wkj s ASN 138 Cb -0.17 -1.80 0.22 0.00 -1.54 0.00 0.00 41.25 37.95 2wkj s ASN 138 CO -0.07 -0.10 0.45 0.00 -3.04 0.00 0.00 177.10 174.34 2wkj n ILE 139 N 4.81 -0.91 0.26 -5.21 3.06 -1.26 -0.78 119.36 119.33 2wkj n ILE 139 Ca -0.16 -3.73 0.08 0.00 -2.50 0.00 0.00 62.75 56.44 2wkj n ILE 139 Cb 0.49 -1.79 0.64 0.00 0.54 0.00 0.00 39.64 39.52 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 4.67 0.01 -0.47 9.51 0.11 -1.79 -0.65 132.00 143.39 2wkj h PRO 140 Ca 0.15 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.28 2wkj h PRO 140 Cb 0.89 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 2wkj h PRO 140 CO 0.42 0.01 0.31 0.00 -0.21 0.00 0.00 178.00 178.53 2wkj h ALA 141 N 2.00 1.73 0.00 -0.75 0.00 -1.90 -2.54 119.26 117.80 2wkj h ALA 141 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 2wkj h ALA 141 Cb -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 2wkj h ALA 141 CO -0.00 0.23 -2.12 1.28 0.00 0.00 0.00 179.25 178.64 2wkj n LEU 142 N -4.47 0.49 0.12 0.00 4.77 -0.90 -4.59 117.00 112.42 2wkj n LEU 142 Ca 0.05 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2wkj n LEU 142 Cb 0.11 0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 2wkj n LEU 142 CO 0.35 0.47 0.41 0.77 -1.33 0.00 0.00 177.39 178.06 2wkj h SER 143 N 0.00 0.00 0.00 -1.43 4.64 -1.14 -3.48 113.55 112.14 2wkj h SER 143 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 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 0.01 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 2wkj n GLY 144 N 1.16 0.73 3.72 -0.77 0.00 -0.96 -4.23 105.19 104.84 2wkj n GLY 144 Ca 0.01 0.00 -0.39 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 -3.14 5.11 -0.65 1.61 1.01 -1.26 -5.02 120.40 118.06 2wkj s VAL 145 Ca 0.00 1.20 0.06 0.00 0.00 0.00 0.00 61.98 63.24 2wkj s VAL 145 Cb 0.00 -3.93 0.22 0.00 0.00 0.00 0.00 36.38 32.67 2wkj s VAL 145 CO 0.00 0.29 0.63 0.29 0.00 0.00 0.00 175.10 176.31 2wkj n LYS 146 N 3.69 2.11 -2.29 2.72 5.02 -1.26 -4.50 118.16 123.65 2wkj n LYS 146 Ca -0.04 -4.50 -0.39 0.00 -2.02 0.00 0.00 58.31 51.36 2wkj n LYS 146 Cb 0.51 -2.21 -0.02 0.00 -0.02 0.00 0.00 35.03 33.29 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 -1.96 4.30 0.77 -0.35 1.43 -1.26 -5.04 118.68 116.57 2wkj s LEU 147 Ca 0.34 2.40 -0.12 0.00 -1.03 0.00 0.00 54.13 55.72 2wkj s LEU 147 Cb 0.07 -3.88 0.05 0.00 0.03 0.00 0.00 46.19 42.46 2wkj s LEU 147 CO -0.08 -0.56 1.11 0.42 0.23 0.00 0.00 176.35 177.47 2wkj s THR 148 N -1.32 3.08 0.20 5.49 -4.23 -1.26 -4.87 115.64 112.73 2wkj s THR 148 Ca 0.53 0.35 -0.10 0.00 -1.18 0.00 0.00 61.69 61.29 2wkj s THR 148 Cb -0.33 -3.21 0.13 0.00 1.34 0.00 0.00 72.50 70.43 2wkj s THR 148 CO 0.42 -0.46 1.80 0.25 -0.54 0.00 0.00 174.62 176.09 2wkj h LEU 149 N -0.94 0.52 -1.19 4.79 5.85 -1.99 -0.71 115.31 121.64 2wkj h LEU 149 Ca -0.46 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 2wkj h LEU 149 Cb 1.27 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 2wkj h LEU 149 CO 0.62 0.34 0.44 0.44 -0.34 0.00 0.00 178.44 179.93 2wkj h ASP 150 N 0.65 0.88 -0.31 1.25 3.45 -1.99 0.71 116.42 121.06 2wkj h ASP 150 Ca 0.29 -0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.66 2wkj h ASP 150 Cb 0.18 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 2wkj h ASP 150 CO -0.18 0.68 0.04 1.56 -1.57 0.00 0.00 179.24 179.77 2wkj h GLN 151 N 1.01 0.52 -0.57 3.56 4.20 -1.74 -1.82 115.11 120.27 2wkj h GLN 151 Ca 0.26 -0.15 0.07 0.00 0.06 0.00 0.00 58.65 58.89 2wkj h GLN 151 Cb -0.03 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.63 2wkj h GLN 151 CO -0.05 0.63 0.26 0.82 -0.67 0.00 0.00 178.83 179.82 2wkj h ILE 152 N 0.34 0.88 -0.90 2.54 2.04 -0.58 -0.68 117.51 121.14 2wkj h ILE 152 Ca 0.09 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.80 2wkj h ILE 152 Cb 0.37 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2wkj h ILE 152 CO 0.01 0.09 0.60 0.78 0.00 0.00 0.00 178.15 179.63 2wkj h ASN 153 N 0.48 1.04 -0.28 1.72 2.35 -0.61 0.08 115.58 120.36 2wkj h ASN 153 Ca 0.27 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 2wkj h ASN 153 Cb 0.24 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2wkj h ASN 153 CO -0.22 0.75 0.07 0.74 -1.65 0.00 0.00 177.43 177.11 2wkj h THR 154 N 1.22 1.22 -0.09 2.81 2.02 -0.86 -2.87 112.91 116.35 2wkj h THR 154 Ca 0.33 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.80 2wkj h THR 154 Cb -0.14 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2wkj h THR 154 CO -0.07 0.24 0.03 -0.07 0.37 0.00 0.00 175.52 176.01 2wkj h LEU 155 N 0.29 0.03 0.00 2.58 3.38 -0.47 -2.72 115.31 118.39 2wkj h LEU 155 Ca 0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2wkj h LEU 155 Cb 0.29 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2wkj h LEU 155 CO 0.00 0.03 0.00 1.33 0.09 0.00 0.00 178.44 179.90 2wkj n VAL 156 N -5.07 0.38 -0.15 1.22 0.24 -0.04 -2.18 118.33 112.72 2wkj n VAL 156 Ca -0.05 0.09 0.06 0.00 -2.04 0.00 0.00 64.34 62.40 2wkj n VAL 156 Cb 0.05 -0.76 0.16 0.00 -1.47 0.00 0.00 33.84 31.81 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 0.95 -1.77 3.34 -2.24 -1.05 -4.77 114.28 107.45 2wkj n THR 157 Ca 0.10 -0.97 -0.39 0.00 -2.27 0.00 0.00 64.05 60.51 2wkj n THR 157 Cb 0.16 0.54 0.03 0.00 -2.10 0.00 0.00 70.33 68.96 2wkj n THR 157 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wkj s LEU 158 N -1.00 3.94 0.17 3.22 1.43 -0.93 -4.89 118.68 120.62 2wkj s LEU 158 Ca 0.24 2.83 -0.33 0.00 -1.03 0.00 0.00 54.13 55.84 2wkj s LEU 158 Cb 0.13 -4.16 -0.14 0.00 0.03 0.00 0.00 46.19 42.05 2wkj s LEU 158 CO 0.17 -1.45 1.54 -2.65 0.23 0.00 0.00 176.35 174.18 2wkj n PRO 159 N -0.75 2.09 0.00 1.29 -0.02 -1.26 -1.76 135.00 134.59 2wkj n PRO 159 Ca 0.09 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2wkj n PRO 159 Cb 0.44 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 3.14 0.80 3.68 -1.23 0.00 -1.26 -5.01 105.19 105.32 2wkj n GLY 160 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.23 4.86 -0.47 1.61 1.01 -0.72 -1.00 120.40 123.47 2wkj s VAL 161 Ca 0.00 1.72 0.04 0.00 0.00 0.00 0.00 61.98 63.74 2wkj s VAL 161 Cb 0.00 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.23 2wkj s VAL 161 CO 0.00 0.03 0.61 0.61 0.00 0.00 0.00 175.10 176.35 2wkj n GLY 162 N 3.35 -1.08 3.55 4.51 0.00 -0.27 -4.58 105.19 110.67 2wkj n GLY 162 Ca 0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.33 -1.77 0.00 4.61 0.00 -1.16 -3.77 121.76 119.34 2wkj s ALA 163 Ca 0.04 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2wkj s ALA 163 Cb 0.03 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.64 2wkj s ALA 163 CO 0.05 -0.77 0.00 -0.11 0.00 0.00 0.00 175.76 174.93 2wkj n LEU 164 N -0.30 0.00 0.00 0.00 7.94 -0.35 -1.54 117.00 122.74 2wkj n LEU 164 Ca -0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 2wkj n LEU 164 Cb 0.62 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.57 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 -2.88 1.96 -0.06 -0.35 -0.92 117.38 115.14 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 4.31 -3.74 1.69 -1.04 0.04 -1.53 114.28 114.00 2wkj n THR 167 Ca 0.00 -4.74 -0.13 0.00 -2.04 0.00 0.00 64.05 57.14 2wkj n THR 167 Cb 0.00 -2.45 -0.10 0.00 -1.82 0.00 0.00 70.33 65.96 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 2.35 -0.40 0.00 8.00 0.15 -1.26 -4.10 113.70 118.44 2wkj s SER 168 Ca 0.41 0.76 0.14 0.00 0.70 0.00 0.00 55.95 57.96 2wkj s SER 168 Cb -0.01 0.77 0.46 0.00 -1.71 0.00 0.00 66.02 65.53 2wkj s SER 168 CO -0.00 -0.14 1.35 0.61 1.20 0.00 0.00 173.24 176.26 2wkj n GLY 169 N 2.83 0.50 3.47 9.45 0.00 -1.26 -4.77 105.19 115.41 2wkj n GLY 169 Ca -0.13 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.19 6.33 0.00 1.61 -1.08 -1.26 -4.85 116.67 116.23 2wkj s ASP 170 Ca 0.26 -1.26 0.27 0.00 -0.52 0.00 0.00 52.55 51.31 2wkj s ASP 170 Cb 0.14 -2.45 0.94 0.00 -1.46 0.00 0.00 42.92 40.09 2wkj s ASP 170 CO 0.19 -1.40 1.70 0.18 0.52 0.00 0.00 175.17 176.36 2wkj n LEU 171 N 7.72 0.40 0.14 -1.34 4.77 -1.26 -1.89 117.00 125.55 2wkj n LEU 171 Ca 0.08 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 56.04 2wkj n LEU 171 Cb 0.47 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 2wkj n LEU 171 CO 0.62 0.09 0.63 0.22 -1.33 0.00 0.00 177.39 177.61 2wkj h TYR 172 N 0.27 -0.32 -0.98 -1.77 3.20 -1.98 -2.71 116.97 112.68 2wkj h TYR 172 Ca 0.00 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.95 2wkj h TYR 172 Cb 0.46 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 2wkj h TYR 172 CO 0.00 -0.03 0.63 0.37 -1.64 0.00 0.00 178.16 177.48 2wkj h GLN 173 N -0.60 1.02 -0.32 1.82 4.15 -1.93 -0.00 115.11 119.24 2wkj h GLN 173 Ca -0.04 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.37 2wkj h GLN 173 Cb 0.44 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 2wkj h GLN 173 CO 0.06 0.67 0.06 1.98 -1.93 0.00 0.00 178.83 179.67 2wkj h MET 174 N 1.05 0.16 -0.74 1.69 4.05 -1.38 0.16 114.93 119.92 2wkj h MET 174 Ca 0.45 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.80 2wkj h MET 174 Cb 0.33 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.06 2wkj h MET 174 CO -0.20 0.11 0.23 1.49 0.23 0.00 0.00 176.91 178.77 2wkj h GLU 175 N 0.17 1.15 -0.68 0.39 4.22 -1.04 -2.21 114.58 116.58 2wkj h GLU 175 Ca 0.15 -0.25 -0.07 0.00 0.08 0.00 0.00 59.36 59.27 2wkj h GLU 175 Cb 0.17 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2wkj h GLU 175 CO -0.20 0.98 0.16 1.96 -2.18 0.00 0.00 179.01 179.73 2wkj h GLN 176 N 1.11 1.08 -0.35 1.92 4.20 -0.27 0.06 115.11 122.86 2wkj h GLN 176 Ca 0.24 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2wkj h GLN 176 Cb 0.31 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2wkj h GLN 176 CO -0.01 0.96 0.14 0.82 -0.67 0.00 0.00 178.83 180.08 2wkj h ILE 177 N 1.03 1.19 -0.86 2.54 2.04 -0.87 -1.41 117.51 121.18 2wkj h ILE 177 Ca 0.21 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 2wkj h ILE 177 Cb 0.37 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 2wkj h ILE 177 CO 0.00 0.20 0.53 -0.09 0.00 0.00 0.00 178.15 178.80 2wkj h ARG 178 N 0.43 1.15 -0.57 2.37 9.65 -1.06 -0.59 114.38 125.76 2wkj h ARG 178 Ca 0.12 -0.09 -0.07 0.00 -1.10 0.00 0.00 59.98 58.83 2wkj h ARG 178 Cb 0.19 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 2wkj h ARG 178 CO -0.01 0.79 0.07 -0.09 2.80 0.00 0.00 179.97 183.53 2wkj h ARG 179 N 1.17 0.94 -0.06 0.20 2.43 -0.75 -2.70 114.38 115.61 2wkj h ARG 179 Ca 0.31 -0.24 -0.18 0.00 -0.81 0.00 0.00 59.98 59.06 2wkj h ARG 179 Cb -0.08 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2wkj h ARG 179 CO -0.06 0.89 -0.73 1.49 -1.51 0.00 0.00 179.97 180.04 2wkj h GLU 180 N 0.88 0.34 -2.72 0.20 4.57 -0.89 -3.39 114.58 113.57 2wkj h GLU 180 Ca 0.18 -0.28 -0.61 0.00 -1.18 0.00 0.00 59.36 57.47 2wkj h GLU 180 Cb 0.43 0.06 -0.41 0.00 -0.16 0.00 0.00 28.75 28.67 2wkj h GLU 180 CO 0.01 0.93 -0.70 0.72 -1.18 0.00 0.00 179.01 178.79 2wkj n HIS 181 N -3.81 2.12 0.21 0.92 8.25 -0.26 -4.96 115.22 117.68 2wkj n HIS 181 Ca -0.04 -4.01 0.17 0.00 -0.26 0.00 0.00 57.72 53.58 2wkj n HIS 181 Cb 0.71 -0.39 0.82 0.00 1.12 0.00 0.00 29.99 32.25 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 5.17 0.00 -0.01 -0.41 0.13 -1.74 -2.38 132.00 132.76 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 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2wkj h PRO 182 CO 0.64 0.00 -0.35 -0.25 -0.23 0.00 0.00 178.00 177.81 2wkj n ASP 183 N -3.84 1.93 -4.74 1.44 8.00 -1.26 -5.00 116.55 113.07 2wkj n ASP 183 Ca 0.01 -1.46 -0.41 0.00 0.71 0.00 0.00 54.79 53.64 2wkj n ASP 183 Cb 0.32 0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.80 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 -2.16 4.43 -0.06 0.64 2.96 -0.90 -4.40 118.68 119.19 2wkj s LEU 184 Ca 0.17 2.40 -0.30 0.00 -0.22 0.00 0.00 54.13 56.18 2wkj s LEU 184 Cb 0.15 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2wkj s LEU 184 CO 0.45 -0.47 1.32 -0.69 -1.32 0.00 0.00 176.35 175.64 2wkj s VAL 185 N -0.18 4.03 -0.26 1.68 1.01 -1.25 -4.91 120.40 120.52 2wkj s VAL 185 Ca 0.54 1.34 -0.02 0.00 0.00 0.00 0.00 61.98 63.84 2wkj s VAL 185 Cb -0.36 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.24 2wkj s VAL 185 CO 0.40 -0.04 0.07 -0.22 0.00 0.00 0.00 175.10 175.31 2wkj s LEU 186 N 2.71 1.58 -0.23 3.92 2.96 -1.26 -1.22 118.68 127.14 2wkj s LEU 186 Ca 0.60 -1.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.11 2wkj s LEU 186 Cb -0.27 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 2wkj s LEU 186 CO 0.22 -0.37 0.40 -0.31 -1.32 0.00 0.00 176.35 174.97 2wkj s TYR 187 N 1.78 3.31 0.11 5.38 2.02 -0.09 -1.25 117.35 128.60 2wkj s TYR 187 Ca 0.05 0.54 -0.31 0.00 -0.37 0.00 0.00 57.07 56.97 2wkj s TYR 187 Cb -0.17 -2.56 -0.08 0.00 -0.40 0.00 0.00 41.96 38.74 2wkj s TYR 187 CO -0.19 -0.12 1.52 1.21 -1.57 0.00 0.00 175.55 176.39 2wkj s ASN 188 N 1.33 6.69 -0.12 2.29 2.47 -0.15 -1.21 114.94 126.23 2wkj s ASN 188 Ca 0.18 2.43 0.19 0.00 0.42 0.00 0.00 52.86 56.08 2wkj s ASN 188 Cb -0.15 -2.58 -0.28 0.00 -1.45 0.00 0.00 41.25 36.78 2wkj s ASN 188 CO 0.09 -0.78 0.25 0.61 -3.72 0.00 0.00 177.10 173.55 2wkj n GLY 189 N 3.73 -0.98 3.52 1.21 0.00 -0.58 -2.05 105.19 110.03 2wkj n GLY 189 Ca 0.14 -0.41 -0.42 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 -2.93 3.17 0.46 1.61 2.02 -1.26 -4.75 117.35 115.66 2wkj s TYR 190 Ca -0.09 -0.13 0.13 0.00 -0.37 0.00 0.00 57.07 56.61 2wkj s TYR 190 Cb 0.09 -2.91 1.05 0.00 -0.40 0.00 0.00 41.96 39.80 2wkj s TYR 190 CO 0.85 -0.63 2.06 -0.44 -1.57 0.00 0.00 175.55 175.82 2wkj h ASP 191 N 8.63 0.13 0.00 2.29 5.19 -1.89 -2.46 116.42 128.31 2wkj h ASP 191 Ca -0.27 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2wkj h ASP 191 Cb 1.12 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.60 2wkj h ASP 191 CO 0.78 0.17 0.00 -0.46 -3.12 0.00 0.00 179.24 176.61 2wkj n ASN 192 N -4.44 0.00 -0.17 6.45 0.23 -1.26 -2.43 115.26 113.64 2wkj n ASN 192 Ca -0.01 -0.95 0.04 0.00 -0.53 0.00 0.00 54.58 53.13 2wkj n ASN 192 Cb 0.15 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.90 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 -0.95 0.91 -0.14 1.53 -5.35 -0.93 -4.94 119.36 109.48 2wkj n ILE 193 Ca 0.19 -1.06 -0.05 0.00 -0.27 0.00 0.00 62.75 61.56 2wkj n ILE 193 Cb 0.09 0.29 0.02 0.00 -1.74 0.00 0.00 39.64 38.29 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 -0.55 -0.36 4.28 3.57 -1.48 0.25 116.94 122.64 2wkj h PHE 194 Ca 0.00 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.56 2wkj h PHE 194 Cb 1.02 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 2wkj h PHE 194 CO 0.03 -0.30 0.22 0.00 -2.23 0.00 0.00 178.31 176.03 2wkj h ALA 195 N 1.18 0.46 -0.24 2.41 0.00 -1.92 0.49 119.26 121.64 2wkj h ALA 195 Ca 0.22 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2wkj h ALA 195 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wkj h ALA 195 CO -0.54 -0.12 -0.22 0.77 0.00 0.00 0.00 179.25 179.14 2wkj h SER 196 N 0.45 0.44 -0.61 0.00 0.02 -1.70 -1.73 113.55 110.42 2wkj h SER 196 Ca 0.14 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2wkj h SER 196 Cb -0.01 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2wkj h SER 196 CO -0.06 0.67 0.13 1.23 -1.14 0.00 0.00 176.83 177.66 2wkj h GLY 197 N 0.99 1.07 0.97 -3.77 0.00 0.26 -1.72 103.07 100.87 2wkj h GLY 197 Ca 0.06 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 2wkj h GLY 197 CO 0.04 0.64 0.21 1.41 0.00 0.00 0.00 176.54 178.84 2wkj h LEU 198 N 0.90 0.68 -1.41 3.11 3.38 -0.68 -1.31 115.31 119.98 2wkj h LEU 198 Ca 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2wkj h LEU 198 Cb 0.38 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2wkj h LEU 198 CO 0.01 0.65 0.23 0.25 0.09 0.00 0.00 178.44 179.66 2wkj h LEU 199 N 0.66 0.56 -0.90 1.67 5.85 -1.18 -1.53 115.31 120.43 2wkj h LEU 199 Ca 0.17 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2wkj h LEU 199 Cb 0.17 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2wkj h LEU 199 CO -0.02 0.47 -0.20 0.00 -0.34 0.00 0.00 178.44 178.35 2wkj h ALA 200 N 1.62 0.97 0.00 1.25 0.00 -0.84 -3.46 119.26 118.79 2wkj h ALA 200 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wkj h ALA 200 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wkj h ALA 200 CO -0.02 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2wkj n GLY 201 N 0.37 0.07 3.73 0.00 0.00 -0.58 -3.31 105.19 105.48 2wkj n GLY 201 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2wkj n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkj s ALA 202 N 0.00 2.33 -0.14 4.61 0.00 -0.57 -4.85 121.76 123.15 2wkj s ALA 202 Ca 0.00 1.20 0.18 0.00 0.00 0.00 0.00 51.96 53.34 2wkj s ALA 202 Cb 0.00 -3.55 0.32 0.00 0.00 0.00 0.00 23.12 19.88 2wkj s ALA 202 CO 0.00 -1.66 1.18 -0.40 0.00 0.00 0.00 175.76 174.88 2wkj n ASP 203 N -2.01 2.47 0.00 0.00 5.68 -0.38 -4.41 116.55 117.90 2wkj n ASP 203 Ca 0.16 -3.11 0.00 0.00 -0.50 0.00 0.00 54.79 51.34 2wkj n ASP 203 Cb 0.48 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 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 -1.34 -1.04 3.45 6.12 0.00 -1.22 -4.10 105.19 107.05 2wkj n GLY 204 Ca 0.17 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.07 -0.02 0.00 -0.49 -0.98 107.32 105.19 2wkj s GLY 205 Ca 0.00 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.20 2wkj s GLY 205 CO 0.00 0.15 -0.10 -0.42 0.00 0.00 0.00 173.10 172.74 2wkj s ILE 206 N -3.73 0.97 0.01 0.90 1.01 -0.87 -1.10 121.20 118.38 2wkj s ILE 206 Ca 0.02 -0.36 -0.26 0.00 0.00 0.00 0.00 60.65 60.05 2wkj s ILE 206 Cb -0.01 -0.93 0.06 0.00 0.01 0.00 0.00 42.46 41.59 2wkj s ILE 206 CO -0.12 0.33 0.59 -0.83 0.00 0.00 0.00 174.94 174.91 2wkj s GLY 207 N 0.91 -0.50 0.18 6.18 0.00 -1.09 -4.36 107.32 108.64 2wkj s GLY 207 Ca -0.10 0.92 -0.08 0.00 0.00 0.00 0.00 44.72 45.45 2wkj s GLY 207 CO 0.01 0.59 1.60 1.48 0.00 0.00 0.00 173.10 176.78 2wkj h SER 208 N 2.91 0.96 0.71 1.64 4.64 -1.89 -0.85 113.55 121.67 2wkj h SER 208 Ca -0.29 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 2wkj h SER 208 Cb 1.18 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2wkj h SER 208 CO 0.40 1.11 0.00 0.35 -0.87 0.00 0.00 176.83 177.82 2wkj n THR 209 N -4.13 0.43 0.30 2.95 -2.24 -1.26 -2.59 114.28 107.75 2wkj n THR 209 Ca 0.01 0.11 0.19 0.00 -2.27 0.00 0.00 64.05 62.09 2wkj n THR 209 Cb 0.42 -0.72 0.94 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.86 -1.93 116.97 115.95 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 0.36 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.08 2wkj h TYR 210 CO 0.00 0.01 -0.01 -0.91 -0.00 0.00 0.00 178.16 177.26 2wkj h ASN 211 N 0.00 0.02 0.00 3.88 2.35 -1.71 -1.51 115.58 118.61 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 0.26 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2wkj h ASN 211 CO 0.00 0.04 -0.97 2.30 -1.65 0.00 0.00 177.43 177.15 2wkj n ILE 212 N -4.51 0.00 -2.65 2.81 -5.35 -0.78 -4.79 119.36 104.10 2wkj n ILE 212 Ca -0.03 -0.25 -0.02 0.00 -0.27 0.00 0.00 62.75 62.18 2wkj n ILE 212 Cb 0.11 0.64 0.10 0.00 -1.74 0.00 0.00 39.64 38.74 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 1.30 -0.10 6.28 0.00 -0.88 -4.96 117.12 117.22 2wkj n MET 213 Ca 0.00 -1.64 0.10 0.00 0.00 0.00 0.00 57.70 56.16 2wkj n MET 213 Cb 0.21 0.05 0.45 0.00 0.00 0.00 0.00 33.22 33.94 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 1.22 0.69 2.00 3.17 0.00 -1.45 -1.07 103.07 107.62 2wkj h GLY 214 Ca -0.40 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 2wkj h GLY 214 CO -0.12 0.14 -0.02 0.11 0.00 0.00 0.00 176.54 176.65 2wkj h TRP 215 N 0.51 0.00 -0.57 5.60 0.09 -1.85 -1.39 115.95 118.34 2wkj h TRP 215 Ca 0.28 0.00 -0.11 0.00 0.09 0.00 0.00 58.89 59.15 2wkj h TRP 215 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.64 2wkj h TRP 215 CO -0.00 0.02 -0.06 0.00 0.09 0.00 0.00 178.44 178.49 2wkj h ARG 216 N 0.00 1.03 -0.33 0.12 3.08 -1.61 0.35 114.38 117.03 2wkj h ARG 216 Ca -0.00 -0.35 -0.16 0.00 0.07 0.00 0.00 59.98 59.54 2wkj h ARG 216 Cb 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2wkj h ARG 216 CO 0.00 1.04 -0.42 1.88 -1.07 0.00 0.00 179.97 181.41 2wkj h TYR 217 N 0.93 0.98 0.00 3.04 0.05 -1.38 -0.85 116.97 119.74 2wkj h TYR 217 Ca 0.15 -0.30 -0.06 0.00 0.05 0.00 0.00 58.73 58.57 2wkj h TYR 217 Cb 0.62 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 2wkj h TYR 217 CO 0.04 1.09 -0.29 1.96 -1.05 0.00 0.00 178.16 179.91 2wkj h GLN 218 N 0.66 0.00 -0.41 4.88 4.20 -1.21 -1.83 115.11 121.40 2wkj h GLN 218 Ca 0.05 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 2wkj h GLN 218 Cb 0.99 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 2wkj h GLN 218 CO 0.09 0.29 -0.18 0.78 -0.67 0.00 0.00 178.83 179.15 2wkj h GLY 219 N 0.98 0.86 0.92 3.46 0.00 -0.33 -2.24 103.07 106.72 2wkj h GLY 219 Ca -0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 2wkj h GLY 219 CO 0.04 0.65 0.11 -2.22 0.00 0.00 0.00 176.54 175.11 2wkj h ILE 220 N 0.70 1.21 -0.55 2.60 2.04 -0.55 0.04 117.51 123.01 2wkj h ILE 220 Ca 0.10 -0.68 0.08 0.00 1.00 0.00 0.00 64.86 65.37 2wkj h ILE 220 Cb 0.69 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 2wkj h ILE 220 CO 0.05 0.23 0.18 0.58 0.00 0.00 0.00 178.15 179.20 2wkj h VAL 221 N 0.40 0.77 -0.27 1.67 2.07 -1.23 -1.01 116.25 118.65 2wkj h VAL 221 Ca 0.11 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2wkj h VAL 221 Cb 0.25 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2wkj h VAL 221 CO -0.00 0.06 -0.03 0.50 0.02 0.00 0.00 177.57 178.12 2wkj h LYS 222 N 0.35 0.50 0.01 1.57 3.64 -1.20 -1.47 116.57 119.97 2wkj h LYS 222 Ca 0.28 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2wkj h LYS 222 Cb 0.34 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2wkj h LYS 222 CO -0.30 0.69 -0.08 0.00 -2.27 0.00 0.00 179.45 177.50 2wkj h ALA 223 N 0.80 -0.09 -0.68 5.00 0.00 -0.73 -1.07 119.26 122.48 2wkj h ALA 223 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wkj h ALA 223 Cb 0.49 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2wkj h ALA 223 CO 0.02 -0.57 0.43 -0.07 0.00 0.00 0.00 179.25 179.05 2wkj h LEU 224 N -0.14 0.81 -1.42 0.00 3.38 -1.15 0.33 115.31 117.12 2wkj h LEU 224 Ca 0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2wkj h LEU 224 Cb 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2wkj h LEU 224 CO -0.07 0.62 0.19 0.11 0.09 0.00 0.00 178.44 179.38 2wkj h LYS 225 N 0.93 0.58 -0.01 1.13 1.57 -0.89 -1.66 116.57 118.22 2wkj h LYS 225 Ca 0.25 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2wkj h LYS 225 Cb -0.05 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2wkj h LYS 225 CO -0.05 0.46 -0.07 0.39 -0.57 0.00 0.00 179.45 179.61 2wkj n GLU 226 N -4.39 1.29 -1.80 3.15 1.02 -0.44 -4.92 120.64 114.54 2wkj n GLU 226 Ca 0.03 -0.67 -0.09 0.00 -0.02 0.00 0.00 57.16 56.41 2wkj n GLU 226 Cb 0.13 -1.49 -0.02 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 1.21 0.44 3.25 0.62 0.00 -0.33 -4.97 105.19 105.42 2wkj n GLY 227 Ca 0.17 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 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 0.36 5.63 -0.12 1.61 2.03 0.10 -4.86 116.55 121.30 2wkj n ASP 228 Ca -0.10 -3.11 -0.05 0.00 0.52 0.00 0.00 54.79 52.04 2wkj n ASP 228 Cb 0.47 -1.40 0.13 0.00 -0.72 0.00 0.00 41.12 39.60 2wkj n ASP 228 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2wkj h ILE 229 N 3.80 1.25 -0.76 5.18 2.04 -1.93 -2.48 117.51 124.61 2wkj h ILE 229 Ca 0.23 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 65.03 2wkj h ILE 229 Cb 0.79 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 2wkj h ILE 229 CO 1.19 0.37 0.48 1.56 0.00 0.00 0.00 178.15 181.75 2wkj h GLN 230 N 0.76 1.01 -0.40 2.37 4.20 -1.97 0.50 115.11 121.59 2wkj h GLN 230 Ca 0.14 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 2wkj h GLN 230 Cb 0.50 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2wkj h GLN 230 CO 0.03 0.69 -0.01 1.15 -0.67 0.00 0.00 178.83 180.02 2wkj h THR 231 N 1.03 1.26 -0.48 -0.54 2.02 -1.93 -0.67 112.91 113.61 2wkj h THR 231 Ca 0.27 -1.02 0.03 0.00 0.77 0.00 0.00 66.41 66.46 2wkj h THR 231 Cb -0.08 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2wkj h THR 231 CO -0.06 0.34 0.27 0.00 0.37 0.00 0.00 175.52 176.45 2wkj h ALA 232 N 0.88 0.61 -0.40 6.16 0.00 -0.98 -1.22 119.26 124.31 2wkj h ALA 232 Ca 0.11 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2wkj h ALA 232 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2wkj h ALA 232 CO 0.02 -0.04 0.12 1.96 0.00 0.00 0.00 179.25 181.31 2wkj h GLN 233 N 0.55 0.62 -0.71 0.00 4.20 -0.77 -1.61 115.11 117.40 2wkj h GLN 233 Ca 0.20 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2wkj h GLN 233 Cb 0.04 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2wkj h GLN 233 CO -0.10 0.62 0.41 -0.22 -0.67 0.00 0.00 178.83 178.87 2wkj h LYS 234 N 0.50 0.97 -0.25 1.46 3.11 -0.95 -0.19 116.57 121.22 2wkj h LYS 234 Ca 0.13 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 2wkj h LYS 234 Cb 0.26 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 2wkj h LYS 234 CO -0.00 0.71 0.16 -0.07 -2.81 0.00 0.00 179.45 177.43 2wkj h LEU 235 N 0.97 0.29 -1.01 5.20 3.38 -1.11 -1.21 115.31 121.83 2wkj h LEU 235 Ca 0.25 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2wkj h LEU 235 Cb -0.00 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2wkj h LEU 235 CO -0.04 0.23 0.49 -0.61 0.09 0.00 0.00 178.44 178.60 2wkj h GLN 236 N 0.33 1.18 -0.54 1.13 5.75 -1.00 -0.11 115.11 121.84 2wkj h GLN 236 Ca 0.09 -0.12 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2wkj h GLN 236 Cb -0.02 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.27 2wkj h GLN 236 CO -0.02 0.85 0.34 1.15 -2.65 0.00 0.00 178.83 178.50 2wkj h THR 237 N 1.19 1.16 -0.65 2.39 2.02 -0.76 0.76 112.91 119.02 2wkj h THR 237 Ca 0.31 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 2wkj h THR 237 Cb -0.01 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 2wkj h THR 237 CO -0.05 0.16 0.20 -0.33 0.37 0.00 0.00 175.52 175.86 2wkj h GLU 238 N 0.73 1.01 -0.91 6.66 4.39 -0.71 -1.03 114.58 124.73 2wkj h GLU 238 Ca 0.20 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.68 2wkj h GLU 238 Cb -0.04 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.42 2wkj h GLU 238 CO -0.04 0.89 0.60 0.00 -1.16 0.00 0.00 179.01 179.30 2wkj h ASN 240 N 1.23 0.06 -0.92 0.00 -0.26 -0.35 0.28 115.58 115.62 2wkj h ASN 240 Ca 0.33 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 56.02 2wkj h ASN 240 Cb -0.14 -0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 37.06 2wkj h ASN 240 CO -0.07 0.67 0.53 0.11 -1.06 0.00 0.00 177.43 177.61 2wkj h LYS 241 N 0.04 1.27 -0.35 0.81 1.57 -1.02 0.70 116.57 119.59 2wkj h LYS 241 Ca -0.01 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.50 2wkj h LYS 241 Cb 1.12 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 2wkj h LYS 241 CO 0.09 0.91 -0.32 0.28 -0.57 0.00 0.00 179.45 179.83 2wkj h VAL 242 N 1.28 1.28 -0.31 0.50 2.07 -1.11 -3.13 116.25 116.84 2wkj h VAL 242 Ca 0.33 -1.49 -0.12 0.00 0.82 0.00 0.00 66.70 66.23 2wkj h VAL 242 Cb -0.01 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2wkj h VAL 242 CO -0.06 0.49 -0.31 0.40 0.02 0.00 0.00 177.57 178.12 2wkj h ILE 243 N 0.62 1.28 -0.53 4.57 2.04 -0.49 -1.44 117.51 123.57 2wkj h ILE 243 Ca 0.06 -1.43 0.10 0.00 1.00 0.00 0.00 64.86 64.59 2wkj h ILE 243 Cb 0.91 1.38 -0.09 0.00 -0.74 0.00 0.00 36.82 38.28 2wkj h ILE 243 CO 0.08 0.46 0.02 0.44 0.00 0.00 0.00 178.15 179.15 2wkj h ASP 244 N 0.56 -0.19 0.02 1.72 3.32 -0.87 -0.01 116.42 120.98 2wkj h ASP 244 Ca 0.07 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2wkj h ASP 244 Cb 0.81 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2wkj h ASP 244 CO 0.07 -0.07 -0.01 0.25 -1.72 0.00 0.00 179.24 177.76 2wkj h LEU 245 N 0.14 -0.02 -1.49 1.55 5.85 -1.38 -2.58 115.31 117.38 2wkj h LEU 245 Ca 0.27 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2wkj h LEU 245 Cb 0.41 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2wkj h LEU 245 CO -0.43 0.07 0.05 -0.07 -0.34 0.00 0.00 178.44 177.72 2wkj h LEU 246 N -0.12 0.35 -0.90 2.25 3.38 -0.72 0.03 115.31 119.57 2wkj h LEU 246 Ca -0.00 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2wkj h LEU 246 Cb 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2wkj h LEU 246 CO 0.00 0.37 -0.14 0.40 0.09 0.00 0.00 178.44 179.17 2wkj h ILE 247 N 0.38 1.25 -0.26 1.22 2.04 -0.90 0.50 117.51 121.74 2wkj h ILE 247 Ca 0.09 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 2wkj h ILE 247 Cb 0.18 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2wkj h ILE 247 CO -0.00 0.38 0.01 0.11 0.00 0.00 0.00 178.15 178.66 2wkj h LYS 248 N 0.59 0.45 0.00 2.37 1.57 -0.72 -3.23 116.57 117.61 2wkj h LYS 248 Ca 0.10 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2wkj h LYS 248 Cb 0.58 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2wkj h LYS 248 CO 0.04 0.60 -0.24 1.79 -0.57 0.00 0.00 179.45 181.07 2wkj h THR 249 N 0.24 0.46 -0.01 -0.16 1.35 -0.86 -3.49 112.91 110.45 2wkj h THR 249 Ca 0.08 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 2wkj h THR 249 Cb 0.39 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2wkj h THR 249 CO 0.01 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 2wkj n GLY 250 N 0.71 1.22 0.13 5.82 0.00 0.12 -4.66 105.19 108.53 2wkj n GLY 250 Ca 0.02 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 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 0.82 -0.37 1.61 2.07 -1.72 -0.57 116.25 118.10 2wkj h VAL 251 Ca 0.00 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 2wkj h VAL 251 Cb 0.00 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2wkj h VAL 251 CO 0.00 0.22 0.17 -0.26 0.02 0.00 0.00 177.57 177.72 2wkj h PHE 252 N -0.87 0.54 -0.12 1.57 0.04 -1.95 -0.63 116.94 115.52 2wkj h PHE 252 Ca -0.02 -0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.62 2wkj h PHE 252 Cb 0.52 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 2wkj h PHE 252 CO 0.08 0.47 -0.36 0.07 -0.60 0.00 0.00 178.31 177.97 2wkj h ARG 253 N 0.46 0.25 -0.50 1.51 0.11 -1.88 -1.20 114.38 113.14 2wkj h ARG 253 Ca 0.13 -0.11 -0.10 0.00 0.10 0.00 0.00 59.98 60.00 2wkj h ARG 253 Cb 0.14 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.19 2wkj h ARG 253 CO -0.01 0.59 -0.06 0.78 0.10 0.00 0.00 179.97 181.36 2wkj h GLY 254 N 1.14 1.00 0.94 0.08 0.00 -0.79 -1.17 103.07 104.27 2wkj h GLY 254 Ca 0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 2wkj h GLY 254 CO 0.06 0.72 0.14 1.41 0.00 0.00 0.00 176.54 178.86 2wkj h LEU 255 N 0.78 0.35 -1.46 3.11 3.38 -0.90 -1.07 115.31 119.50 2wkj h LEU 255 Ca 0.13 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2wkj h LEU 255 Cb 0.60 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2wkj h LEU 255 CO 0.04 0.35 0.39 0.11 0.09 0.00 0.00 178.44 179.42 2wkj h LYS 256 N 0.31 0.70 -0.20 1.13 1.57 -1.07 -1.37 116.57 117.65 2wkj h LYS 256 Ca 0.09 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 2wkj h LYS 256 Cb 0.09 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2wkj h LYS 256 CO -0.01 0.46 -0.33 1.15 -0.57 0.00 0.00 179.45 180.15 2wkj h THR 257 N 0.72 1.33 -0.58 -0.16 2.02 -0.66 0.40 112.91 115.98 2wkj h THR 257 Ca 0.23 -1.55 0.07 0.00 0.77 0.00 0.00 66.41 65.92 2wkj h THR 257 Cb 0.03 1.85 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 2wkj h THR 257 CO -0.06 0.48 0.28 0.58 0.37 0.00 0.00 175.52 177.17 2wkj h VAL 258 N 0.24 0.89 0.00 3.16 2.07 -0.92 -1.47 116.25 120.22 2wkj h VAL 258 Ca 0.01 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 2wkj h VAL 258 Cb 0.92 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2wkj h VAL 258 CO 0.08 0.09 -0.25 -0.07 0.02 0.00 0.00 177.57 177.44 2wkj h LEU 259 N 0.51 0.00 -0.43 2.57 3.38 -0.97 -0.94 115.31 119.43 2wkj h LEU 259 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2wkj h LEU 259 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2wkj h LEU 259 CO -0.22 0.25 0.19 -0.74 0.09 0.00 0.00 178.44 178.01 2wkj h HIS 260 N 0.00 0.64 0.00 1.13 2.76 0.10 -0.26 115.15 119.52 2wkj h HIS 260 Ca -0.00 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2wkj h HIS 260 Cb 0.48 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.25 2wkj h HIS 260 CO 0.00 0.54 0.00 0.66 -1.30 0.00 0.00 177.93 177.83 2wkj n TYR 261 N -4.64 0.54 0.85 5.26 4.01 -0.47 -1.73 117.16 120.99 2wkj n TYR 261 Ca 0.01 0.18 0.09 0.00 -0.16 0.00 0.00 57.90 58.01 2wkj n TYR 261 Cb 0.13 -0.79 0.26 0.00 -0.31 0.00 0.00 39.34 38.63 2wkj n TYR 261 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2wkj n MET 262 N -1.96 1.93 -2.48 -0.72 2.81 -0.55 -4.89 117.12 111.25 2wkj n MET 262 Ca 0.05 -1.42 -0.15 0.00 -1.81 0.00 0.00 57.70 54.37 2wkj n MET 262 Cb 0.33 -1.37 0.01 0.00 -0.71 0.00 0.00 33.22 31.47 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 0.64 -4.48 -0.09 7.83 8.00 -0.71 -4.92 116.55 122.83 2wkj n ASP 263 Ca 0.15 -0.09 -0.18 0.00 0.71 0.00 0.00 54.79 55.39 2wkj n ASP 263 Cb 0.37 -3.52 -0.06 0.00 -0.02 0.00 0.00 41.12 37.89 2wkj n ASP 263 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2wkj n VAL 264 N -4.05 1.25 -3.65 2.53 0.31 -0.14 -5.00 118.33 109.58 2wkj n VAL 264 Ca -0.13 -0.14 -0.38 0.00 -0.01 0.00 0.00 64.34 63.68 2wkj n VAL 264 Cb 0.61 -1.91 -0.12 0.00 -0.91 0.00 0.00 33.84 31.51 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 -2.49 4.80 0.10 2.52 1.01 -1.01 -4.58 120.40 120.75 2wkj s VAL 265 Ca -0.27 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 2wkj s VAL 265 Cb 0.09 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2wkj s VAL 265 CO 0.36 0.20 1.59 0.28 0.00 0.00 0.00 175.10 177.52 2wkj h SER 266 N 8.34 0.48 -3.27 3.32 0.02 -1.91 -3.34 113.55 117.19 2wkj h SER 266 Ca -0.35 -0.25 -0.51 0.00 -0.84 0.00 0.00 61.79 59.84 2wkj h SER 266 Cb 1.17 -0.13 -0.40 0.00 0.14 0.00 0.00 62.40 63.19 2wkj h SER 266 CO 0.59 0.60 -0.76 -0.69 -1.14 0.00 0.00 176.83 175.42 2wkj s VAL 267 N -5.23 0.53 -0.24 2.27 1.01 -1.26 -5.03 120.40 112.45 2wkj s VAL 267 Ca -0.13 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2wkj s VAL 267 Cb 0.09 -1.00 0.11 0.00 0.00 0.00 0.00 36.38 35.57 2wkj s VAL 267 CO 0.75 -0.16 2.24 -0.81 0.00 0.00 0.00 175.10 177.12 2wkj n PRO 268 N 5.05 1.72 -3.38 2.72 -0.04 -1.26 -4.39 135.00 135.41 2wkj n PRO 268 Ca -0.09 -1.28 -0.35 0.00 -0.04 0.00 0.00 63.50 61.75 2wkj n PRO 268 Cb 0.47 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.32 4.31 0.49 1.53 1.43 -1.26 -4.54 118.68 119.32 2wkj s LEU 269 Ca 0.31 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 2wkj s LEU 269 Cb 0.21 -3.30 0.01 0.00 0.03 0.00 0.00 46.19 43.14 2wkj s LEU 269 CO -0.03 0.08 0.71 0.00 0.23 0.00 0.00 176.35 177.34 2wkj s ARG 271 N -4.64 4.56 0.30 0.00 0.52 -1.26 -4.83 118.95 113.60 2wkj s ARG 271 Ca 0.52 1.31 -0.30 0.00 -0.52 0.00 0.00 55.73 56.74 2wkj s ARG 271 Cb -0.10 -2.78 -0.12 0.00 0.52 0.00 0.00 34.95 32.47 2wkj s ARG 271 CO 0.38 0.27 1.46 1.63 0.02 0.00 0.00 175.30 179.06 2wkj n LYS 272 N 0.52 2.38 -0.11 3.54 4.76 -1.26 -1.44 118.16 126.55 2wkj n LYS 272 Ca 0.02 0.84 0.08 0.00 -2.87 0.00 0.00 58.31 56.39 2wkj n LYS 272 Cb 0.50 -2.54 0.30 0.00 -1.84 0.00 0.00 35.03 31.46 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 1.54 1.70 -1.74 1.97 -0.04 -1.26 -5.07 135.00 132.11 2wkj n PRO 273 Ca 0.08 -1.06 -0.42 0.00 -0.04 0.00 0.00 63.50 62.05 2wkj n PRO 273 Cb 0.35 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.31 2.78 -2.60 0.54 3.72 -0.52 -5.01 117.46 116.67 2wkj n PHE 274 Ca 0.14 0.29 -0.19 0.00 -0.05 0.00 0.00 57.45 57.63 2wkj n PHE 274 Cb 0.29 -2.58 0.10 0.00 -0.94 0.00 0.00 39.48 36.35 2wkj n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wkj n GLY 275 N 2.06 0.79 3.86 1.37 0.00 -1.26 -4.70 105.19 107.31 2wkj n GLY 275 Ca 0.08 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 2wkj n GLY 275 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wkj s PRO 276 N -4.68 2.73 0.29 1.61 0.04 -1.26 -4.74 135.00 129.00 2wkj s PRO 276 Ca 0.56 0.56 -0.29 0.00 0.04 0.00 0.00 61.00 61.87 2wkj s PRO 276 Cb -0.03 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 2wkj s PRO 276 CO 0.37 -1.15 1.43 0.08 0.04 0.00 0.00 177.00 177.77 2wkj s VAL 277 N -3.27 2.53 0.15 -0.36 1.01 -1.26 -4.97 120.40 114.23 2wkj s VAL 277 Ca 0.59 0.48 -0.32 0.00 0.00 0.00 0.00 61.98 62.73 2wkj s VAL 277 Cb -0.12 -3.30 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 2wkj s VAL 277 CO 0.53 0.09 1.78 -0.67 0.00 0.00 0.00 175.10 176.83 2wkj n ASP 278 N 1.64 3.97 0.31 3.32 -0.08 -1.26 -4.86 116.55 119.59 2wkj n ASP 278 Ca 0.04 1.02 0.18 0.00 -1.51 0.00 0.00 54.79 54.52 2wkj n ASP 278 Cb 0.40 -1.55 1.02 0.00 2.34 0.00 0.00 41.12 43.33 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 7.73 0.00 -0.04 -0.67 5.08 -2.02 -1.57 114.58 123.09 2wkj h GLU 279 Ca -0.45 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2wkj h GLU 279 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2wkj h GLU 279 CO 0.95 0.01 0.09 1.57 -1.00 0.00 0.00 179.01 180.63 2wkj h LYS 280 N 0.00 0.00 -0.00 2.33 2.10 -2.04 -2.15 116.57 116.81 2wkj h LYS 280 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2wkj h LYS 280 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2wkj h LYS 280 CO 0.00 0.00 -0.27 0.66 -2.00 0.00 0.00 179.45 177.84 2wkj n TYR 281 N -3.37 0.00 -0.16 0.07 4.01 -0.59 -4.35 117.16 112.77 2wkj n TYR 281 Ca -0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.63 2wkj n TYR 281 Cb 0.17 -0.18 -0.00 0.00 -0.31 0.00 0.00 39.34 39.02 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 0.74 0.72 -0.62 7.72 3.38 -1.57 -0.90 115.31 124.79 2wkj h LEU 282 Ca 0.00 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.80 2wkj h LEU 282 Cb 0.47 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 2wkj h LEU 282 CO 0.00 0.79 0.26 -0.65 0.09 0.00 0.00 178.44 178.94 2wkj h PRO 283 N 0.62 0.46 -0.33 1.13 0.11 -1.80 0.22 132.00 132.41 2wkj h PRO 283 Ca 0.14 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.09 2wkj h PRO 283 Cb 0.37 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 2wkj h PRO 283 CO 0.01 0.30 -0.34 0.93 -0.21 0.00 0.00 178.00 178.69 2wkj h GLU 284 N 0.47 0.74 -0.23 1.05 5.08 -1.75 -0.83 114.58 119.11 2wkj h GLU 284 Ca 0.31 -0.36 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 2wkj h GLU 284 Cb 0.34 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2wkj h GLU 284 CO -0.28 0.97 -0.54 -0.07 -1.00 0.00 0.00 179.01 178.09 2wkj h LEU 285 N 0.62 0.76 -0.52 1.33 3.38 -0.77 -0.62 115.31 119.49 2wkj h LEU 285 Ca 0.06 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.66 2wkj h LEU 285 Cb 0.88 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2wkj h LEU 285 CO 0.08 1.15 0.30 0.11 0.09 0.00 0.00 178.44 180.17 2wkj h LYS 286 N 0.53 0.58 -0.77 1.13 1.57 -0.41 -0.87 116.57 118.33 2wkj h LYS 286 Ca 0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2wkj h LYS 286 Cb 1.11 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 2wkj h LYS 286 CO 0.11 0.38 0.28 0.00 -0.57 0.00 0.00 179.45 179.65 2wkj h ALA 287 N 1.24 1.03 -0.39 3.86 0.00 -0.93 -0.92 119.26 123.15 2wkj h ALA 287 Ca 0.21 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2wkj h ALA 287 Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2wkj h ALA 287 CO -0.11 0.67 -0.04 1.25 0.00 0.00 0.00 179.25 181.02 2wkj h LEU 288 N 1.13 0.71 -0.74 0.00 5.85 -0.82 0.10 115.31 121.54 2wkj h LEU 288 Ca 0.25 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.70 2wkj h LEU 288 Cb 0.26 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 2wkj h LEU 288 CO -0.01 0.87 0.43 0.00 -0.34 0.00 0.00 178.44 179.39 2wkj h ALA 289 N 0.86 1.00 -0.44 1.25 0.00 -0.96 0.47 119.26 121.44 2wkj h ALA 289 Ca 0.11 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2wkj h ALA 289 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2wkj h ALA 289 CO 0.03 0.13 0.11 1.96 0.00 0.00 0.00 179.25 181.49 2wkj h GLN 290 N 0.79 0.70 0.02 0.00 4.20 -0.66 -1.04 115.11 119.13 2wkj h GLN 290 Ca 0.33 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 2wkj h GLN 290 Cb 0.18 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2wkj h GLN 290 CO -0.18 0.70 -0.01 0.37 -0.67 0.00 0.00 178.83 179.05 2wkj h GLN 291 N 0.58 -0.02 -0.70 1.46 4.15 -0.44 -1.92 115.11 118.22 2wkj h GLN 291 Ca 0.14 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 2wkj h GLN 291 Cb 0.31 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 2wkj h GLN 291 CO 0.00 0.11 0.42 -0.07 -1.93 0.00 0.00 178.83 177.36 2wkj h LEU 292 N -0.15 0.83 -0.86 -2.39 3.38 -0.77 0.65 115.31 116.01 2wkj h LEU 292 Ca -0.00 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2wkj h LEU 292 Cb 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2wkj h LEU 292 CO 0.00 0.64 -0.03 0.24 0.09 0.00 0.00 178.44 179.38 2wkj h MET 293 N 0.96 0.81 -0.40 1.13 2.86 -1.04 0.32 114.93 119.56 2wkj h MET 293 Ca 0.25 -0.24 -0.15 0.00 -2.06 0.00 0.00 59.70 57.51 2wkj h MET 293 Cb -0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 2wkj h MET 293 CO -0.05 0.84 -0.33 0.37 1.06 0.00 0.00 176.91 178.80 2wkj h GLN 294 N 0.75 0.94 -0.16 1.72 5.75 -0.54 -3.28 115.11 120.28 2wkj h GLN 294 Ca 0.14 -0.47 -0.05 0.00 -0.15 0.00 0.00 58.65 58.12 2wkj h GLN 294 Cb 0.50 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.05 2wkj h GLN 294 CO 0.03 1.13 -0.10 1.49 -2.65 0.00 0.00 178.83 178.73 2wkj h GLU 295 N 0.76 0.35 0.00 1.69 4.81 -0.60 -3.51 114.58 118.08 2wkj h GLU 295 Ca 0.07 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2wkj h GLU 295 Cb 0.92 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2wkj h GLU 295 CO 0.09 0.68 0.00 0.54 -0.73 0.00 0.00 179.01 179.59