#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnk s ILE 3 N 0.00 4.88 -0.35 -1.33 1.01 -1.14 -5.01 121.20 119.25 2pnk s ILE 3 Ca 0.00 0.94 0.15 0.00 0.00 0.00 0.00 60.65 61.73 2pnk s ILE 3 Cb 0.00 -3.78 0.42 0.00 0.01 0.00 0.00 42.46 39.11 2pnk s ILE 3 CO 0.00 0.45 1.02 -0.46 0.00 0.00 0.00 174.94 175.94 2pnk n ASN 4 N 1.41 0.42 -3.51 3.58 2.04 -1.26 -4.77 115.26 113.18 2pnk n ASN 4 Ca -0.10 -2.75 -0.11 0.00 -0.44 0.00 0.00 54.58 51.18 2pnk n ASN 4 Cb 0.52 -0.08 -0.03 0.00 -2.53 0.00 0.00 39.78 37.66 2pnk n ASN 4 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2pnk s SER 5 N -2.51 -0.44 0.07 0.53 1.04 -1.26 -5.02 113.70 106.11 2pnk s SER 5 Ca 0.28 -0.13 0.25 0.00 0.48 0.00 0.00 55.95 56.82 2pnk s SER 5 Cb 0.42 0.55 0.42 0.00 0.10 0.00 0.00 66.02 67.51 2pnk s SER 5 CO -0.01 -0.93 1.36 -1.14 0.98 0.00 0.00 173.24 173.50 2pnk n ARG 6 N -0.32 0.18 0.05 4.02 0.63 -1.26 -2.29 116.66 117.68 2pnk n ARG 6 Ca -0.17 0.05 -0.12 0.00 -0.92 0.00 0.00 57.85 56.69 2pnk n ARG 6 Cb 0.64 -1.61 -0.09 0.00 0.45 0.00 0.00 32.46 31.86 2pnk n ARG 6 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2pnk h GLU 7 N 0.00 -0.17 -0.41 -0.14 5.08 -2.00 -2.30 114.58 114.64 2pnk h GLU 7 Ca 0.00 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 2pnk h GLU 7 Cb 0.65 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2pnk h GLU 7 CO 0.00 0.25 -0.28 0.28 -1.00 0.00 0.00 179.01 178.26 2pnk h VAL 8 N -0.66 1.27 0.29 3.13 2.07 -1.96 -2.68 116.25 117.73 2pnk h VAL 8 Ca -0.02 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 2pnk h VAL 8 Cb 0.50 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2pnk h VAL 8 CO 0.03 0.48 -0.21 0.25 0.02 0.00 0.00 177.57 178.14 2pnk h LEU 9 N 0.74 -0.54 -0.64 2.57 5.85 -1.55 -1.57 115.31 120.17 2pnk h LEU 9 Ca 0.09 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.94 2pnk h LEU 9 Cb 0.83 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 2pnk h LEU 9 CO 0.07 -0.33 0.27 0.00 -0.34 0.00 0.00 178.44 178.12 2pnk h ALA 10 N 0.16 0.84 -0.03 1.25 0.00 -1.24 -0.49 119.26 119.76 2pnk h ALA 10 Ca -0.02 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2pnk h ALA 10 Cb 0.43 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2pnk h ALA 10 CO 0.00 -0.13 -0.07 1.49 0.00 0.00 0.00 179.25 180.54 2pnk h GLU 11 N 0.48 -0.10 -0.24 0.00 4.81 -1.26 0.21 114.58 118.49 2pnk h GLU 11 Ca 0.32 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.45 2pnk h GLU 11 Cb 0.36 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2pnk h GLU 11 CO -0.28 -0.07 -0.27 0.87 -0.73 0.00 0.00 179.01 178.53 2pnk h LYS 12 N -0.10 0.46 -0.01 1.92 1.57 -0.61 -0.19 116.57 119.61 2pnk h LYS 12 Ca 0.04 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2pnk h LYS 12 Cb 0.15 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2pnk h LYS 12 CO -0.09 0.70 -0.02 0.28 -0.57 0.00 0.00 179.45 179.74 2pnk h VAL 13 N 0.41 1.44 -0.65 0.50 2.07 -0.84 -1.05 116.25 118.13 2pnk h VAL 13 Ca 0.06 -1.33 0.05 0.00 0.82 0.00 0.00 66.70 66.29 2pnk h VAL 13 Cb 0.69 2.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 2pnk h VAL 13 CO 0.05 0.35 0.37 0.11 0.02 0.00 0.00 177.57 178.48 2pnk h LYS 14 N -0.51 0.69 -0.51 1.57 1.57 -0.84 0.10 116.57 118.64 2pnk h LYS 14 Ca 0.00 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2pnk h LYS 14 Cb 0.58 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2pnk h LYS 14 CO 0.01 0.45 0.21 -0.91 -0.57 0.00 0.00 179.45 178.64 2pnk h ASN 15 N 0.71 0.69 -0.23 0.86 2.35 -1.06 -1.00 115.58 117.90 2pnk h ASN 15 Ca 0.28 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2pnk h ASN 15 Cb 0.12 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2pnk h ASN 15 CO -0.15 0.66 0.13 0.00 -1.65 0.00 0.00 177.43 176.42 2pnk h ALA 16 N 1.06 0.29 -0.40 -0.83 0.00 -0.50 -0.72 119.26 118.16 2pnk h ALA 16 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2pnk h ALA 16 Cb 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2pnk h ALA 16 CO -0.02 -0.27 0.26 0.28 0.00 0.00 0.00 179.25 179.51 2pnk h VAL 17 N 0.27 1.10 -0.28 0.00 2.07 -0.73 -1.77 116.25 116.92 2pnk h VAL 17 Ca 0.09 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 2pnk h VAL 17 Cb 0.00 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2pnk h VAL 17 CO -0.05 0.10 -0.35 0.78 0.02 0.00 0.00 177.57 178.07 2pnk h ASN 18 N 0.54 0.65 1.90 0.57 2.35 -1.00 -3.15 115.58 117.43 2pnk h ASN 18 Ca 0.15 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2pnk h ASN 18 Cb -0.06 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.13 2pnk h ASN 18 CO -0.03 0.95 0.00 0.78 -1.65 0.00 0.00 177.43 177.48 2pnk h ASN 19 N 0.52 0.00 -2.74 5.81 2.35 -0.93 -3.46 115.58 117.14 2pnk h ASN 19 Ca 0.05 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.25 2pnk h ASN 19 Cb 0.85 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 2pnk h ASN 19 CO 0.07 0.00 1.01 -1.58 -1.65 0.00 0.00 177.43 175.29 2pnk s GLN 20 N -3.21 4.19 0.21 0.81 2.00 -0.68 -4.98 119.66 118.00 2pnk s GLN 20 Ca 0.07 1.95 -0.31 0.00 -2.00 0.00 0.00 55.36 55.07 2pnk s GLN 20 Cb 0.06 -3.90 -0.10 0.00 0.80 0.00 0.00 33.01 29.87 2pnk s GLN 20 CO 0.66 -0.81 1.56 -2.14 -0.50 0.00 0.00 175.29 174.06 2pnk s PRO 21 N 3.84 4.20 -0.06 1.67 0.02 -1.26 -4.93 135.00 138.48 2pnk s PRO 21 Ca 0.66 2.41 -0.16 0.00 0.02 0.00 0.00 61.00 63.93 2pnk s PRO 21 Cb -0.28 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.08 2pnk s PRO 21 CO 0.23 -0.58 0.41 0.08 -0.33 0.00 0.00 177.00 176.82 2pnk s VAL 22 N 0.64 5.12 -0.31 3.83 1.01 -0.22 -4.65 120.40 125.83 2pnk s VAL 22 Ca 0.67 0.83 -0.16 0.00 0.00 0.00 0.00 61.98 63.32 2pnk s VAL 22 Cb -0.45 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 2pnk s VAL 22 CO 0.37 0.47 0.42 -0.89 0.00 0.00 0.00 175.10 175.48 2pnk s THR 23 N -0.31 5.12 0.50 3.92 2.01 -0.21 -1.31 115.64 125.36 2pnk s THR 23 Ca 0.23 0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.68 2pnk s THR 23 Cb -0.16 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.56 2pnk s THR 23 CO 0.11 -0.00 0.71 -0.62 -0.69 0.00 0.00 174.62 174.13 2pnk s ASP 24 N 1.68 5.50 -0.33 3.53 -1.08 -0.03 -4.71 116.67 121.22 2pnk s ASP 24 Ca 0.16 0.03 -0.27 0.00 -0.52 0.00 0.00 52.55 51.95 2pnk s ASP 24 Cb -0.16 -1.06 -0.12 0.00 -1.46 0.00 0.00 42.92 40.12 2pnk s ASP 24 CO 0.11 -0.95 1.36 1.57 0.52 0.00 0.00 175.17 177.78 2pnk n HIS 26 N -2.20 0.71 -4.29 -5.34 -0.00 -1.26 -1.49 115.22 101.35 2pnk n HIS 26 Ca 0.06 0.47 -0.17 0.00 -0.00 0.00 0.00 57.72 58.08 2pnk n HIS 26 Cb 0.59 -1.44 -0.09 0.00 -0.00 0.00 0.00 29.99 29.04 2pnk n HIS 26 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2pnk s THR 27 N 3.86 0.21 -0.32 3.57 -4.23 -0.58 -1.32 115.64 116.83 2pnk s THR 27 Ca 0.76 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.34 2pnk s THR 27 Cb -0.93 -2.52 0.46 0.00 1.34 0.00 0.00 72.50 70.85 2pnk s THR 27 CO 0.41 0.00 1.36 1.41 -0.54 0.00 0.00 174.62 177.26 2pnk n HIS 28 N -0.49 1.85 -3.88 3.99 8.25 0.15 -2.48 115.22 122.60 2pnk n HIS 28 Ca 0.02 -2.02 -0.23 0.00 -0.26 0.00 0.00 57.72 55.24 2pnk n HIS 28 Cb 0.65 -0.49 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 2pnk n HIS 28 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2pnk s LEU 29 N -3.47 4.29 0.10 2.41 1.43 -1.17 -4.54 118.68 117.73 2pnk s LEU 29 Ca 0.48 0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.79 2pnk s LEU 29 Cb 0.41 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 2pnk s LEU 29 CO 0.00 -0.06 -0.13 -0.36 0.23 0.00 0.00 176.35 176.03 2pnk s PHE 30 N -1.96 1.25 0.32 0.29 0.08 -1.26 -4.43 117.98 112.27 2pnk s PHE 30 Ca 0.35 -0.57 -0.29 0.00 0.12 0.00 0.00 56.93 56.55 2pnk s PHE 30 Cb -0.10 -0.67 -0.13 0.00 -0.57 0.00 0.00 43.02 41.55 2pnk s PHE 30 CO 0.30 0.08 1.28 0.45 -0.10 0.00 0.00 175.22 177.23 2pnk n SER 31 N 0.69 2.60 0.27 1.36 2.88 -1.26 -4.78 113.62 115.38 2pnk n SER 31 Ca -0.17 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.69 2pnk n SER 31 Cb 0.57 -1.45 0.74 0.00 -0.75 0.00 0.00 64.21 63.32 2pnk n SER 31 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2pnk h PRO 32 N 2.78 0.00 0.00 -1.46 0.13 -1.94 -0.98 132.00 130.53 2pnk h PRO 32 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2pnk h PRO 32 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2pnk h PRO 32 CO 0.65 0.09 0.00 0.27 -0.23 0.00 0.00 178.00 178.78 2pnk n ASN 33 N -3.82 0.12 0.00 1.44 6.94 -1.26 -1.94 115.26 116.74 2pnk n ASN 33 Ca -0.02 0.54 0.13 0.00 -0.02 0.00 0.00 54.58 55.20 2pnk n ASN 33 Cb 0.19 -0.56 0.65 0.00 -2.36 0.00 0.00 39.78 37.71 2pnk n ASN 33 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2pnk n PHE 34 N -1.64 0.00 -1.58 -2.53 3.01 -0.37 -5.01 117.46 109.34 2pnk n PHE 34 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2pnk n PHE 34 Cb 0.12 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.29 2pnk n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pnk n GLY 35 N 0.97 0.28 0.00 1.37 0.00 -0.82 -4.37 105.19 102.62 2pnk n GLY 35 Ca 0.12 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.81 2pnk n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pnk n GLU 36 N 2.19 0.43 0.27 1.61 -0.58 -1.26 -2.65 120.64 120.66 2pnk n GLU 36 Ca 0.00 0.04 0.18 0.00 -0.42 0.00 0.00 57.16 56.96 2pnk n GLU 36 Cb 0.00 -1.50 0.76 0.00 -0.57 0.00 0.00 31.44 30.13 2pnk n GLU 36 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2pnk h ILE 37 N 0.00 0.00 -3.07 -3.67 3.07 -1.97 -3.37 117.51 108.50 2pnk h ILE 37 Ca 0.00 -0.37 -0.56 0.00 1.55 0.00 0.00 64.86 65.48 2pnk h ILE 37 Cb 0.20 1.32 -0.05 0.00 -0.27 0.00 0.00 36.82 38.01 2pnk h ILE 37 CO 0.00 0.00 1.10 -0.22 -1.05 0.00 0.00 178.15 177.98 2pnk s LEU 38 N -5.93 3.51 0.03 0.16 2.96 -1.08 -4.76 118.68 113.57 2pnk s LEU 38 Ca 0.00 0.63 -0.24 0.00 -0.22 0.00 0.00 54.13 54.30 2pnk s LEU 38 Cb 0.10 -3.34 -0.05 0.00 0.50 0.00 0.00 46.19 43.40 2pnk s LEU 38 CO 0.49 -1.57 0.74 -0.76 -1.32 0.00 0.00 176.35 173.93 2pnk s LEU 39 N 5.82 4.44 0.05 -0.68 1.43 -1.26 -5.01 118.68 123.47 2pnk s LEU 39 Ca 0.59 1.39 -0.21 0.00 -1.03 0.00 0.00 54.13 54.87 2pnk s LEU 39 Cb -0.13 -3.18 0.05 0.00 0.03 0.00 0.00 46.19 42.96 2pnk s LEU 39 CO 0.30 0.02 0.48 -1.66 0.23 0.00 0.00 176.35 175.72 2pnk s TRP 40 N -0.03 -0.37 0.00 0.29 1.48 -1.26 -0.32 118.94 118.74 2pnk s TRP 40 Ca 0.37 0.37 0.00 0.00 -1.06 0.00 0.00 56.10 55.78 2pnk s TRP 40 Cb -0.20 0.30 0.00 0.00 -1.16 0.00 0.00 33.47 32.41 2pnk s TRP 40 CO 0.22 -0.63 0.00 -0.40 -4.06 0.00 0.00 176.95 172.08 2pnk n ASP 41 N 0.39 0.00 -0.11 -2.66 5.68 -1.26 -4.61 116.55 113.98 2pnk n ASP 41 Ca -0.18 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.07 2pnk n ASP 41 Cb 0.60 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.76 2pnk n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2pnk h ILE 42 N 0.00 1.23 -0.23 2.12 6.09 -1.96 -0.81 117.51 123.95 2pnk h ILE 42 Ca 0.00 -0.92 -0.09 0.00 -1.37 0.00 0.00 64.86 62.47 2pnk h ILE 42 Cb 0.00 0.80 -0.01 0.00 0.47 0.00 0.00 36.82 38.08 2pnk h ILE 42 CO 0.00 0.33 -0.25 0.44 -3.07 0.00 0.00 178.15 175.60 2pnk h ASP 43 N 0.75 0.44 -0.36 2.19 3.32 -1.95 -0.55 116.42 120.27 2pnk h ASP 43 Ca 0.15 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 2pnk h ASP 43 Cb 0.39 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2pnk h ASP 43 CO 0.01 0.69 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.65 2pnk h GLU 44 N 0.39 0.79 -0.55 3.56 4.39 -1.73 -2.27 114.58 119.16 2pnk h GLU 44 Ca 0.06 -0.37 0.05 0.00 0.34 0.00 0.00 59.36 59.43 2pnk h GLU 44 Cb 0.65 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.25 2pnk h GLU 44 CO 0.05 1.00 0.29 -0.07 -1.16 0.00 0.00 179.01 179.11 2pnk h LEU 45 N 0.58 0.41 -0.75 1.33 3.38 -0.83 -1.34 115.31 118.08 2pnk h LEU 45 Ca 0.07 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2pnk h LEU 45 Cb 0.80 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2pnk h LEU 45 CO 0.07 0.28 -0.38 -0.07 0.09 0.00 0.00 178.44 178.43 2pnk h LEU 46 N 0.55 0.00 -2.48 1.67 3.38 -1.04 -3.12 115.31 114.28 2pnk h LEU 46 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2pnk h LEU 46 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2pnk h LEU 46 CO -0.16 0.38 0.00 0.35 0.09 0.00 0.00 178.44 179.09 2pnk n THR 47 N -3.43 0.70 -1.38 0.22 -2.24 -0.86 -4.69 114.28 102.59 2pnk n THR 47 Ca 0.00 -0.85 -0.46 0.00 -2.27 0.00 0.00 64.05 60.47 2pnk n THR 47 Cb 0.55 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.53 2pnk n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pnk n TYR 48 N 1.19 -0.88 0.26 4.78 9.36 -0.52 -4.72 117.16 126.63 2pnk n TYR 48 Ca 0.17 0.86 0.12 0.00 3.32 0.00 0.00 57.90 62.37 2pnk n TYR 48 Cb 0.53 -1.92 0.68 0.00 -0.63 0.00 0.00 39.34 38.00 2pnk n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 2pnk h HIS 49 N 0.84 0.00 -0.96 2.98 2.07 -1.92 -1.93 115.15 116.23 2pnk h HIS 49 Ca -0.31 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.27 2pnk h HIS 49 Cb 1.44 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.35 2pnk h HIS 49 CO 0.39 0.14 0.62 1.88 -3.07 0.00 0.00 177.93 177.88 2pnk h TYR 50 N 0.00 1.15 0.00 6.12 -1.99 -1.95 -1.83 116.97 118.46 2pnk h TYR 50 Ca -0.00 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.68 2pnk h TYR 50 Cb 0.39 -0.38 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 2pnk h TYR 50 CO 0.00 0.60 -0.58 -0.07 -0.00 0.00 0.00 178.16 178.11 2pnk h LEU 51 N 1.13 0.00 -0.48 3.88 3.38 -1.66 -2.89 115.31 118.68 2pnk h LEU 51 Ca 0.41 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.32 2pnk h LEU 51 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2pnk h LEU 51 CO -0.17 0.36 0.05 0.58 0.09 0.00 0.00 178.44 179.36 2pnk h VAL 52 N 0.00 1.25 -0.43 1.22 2.07 -1.18 -0.38 116.25 118.81 2pnk h VAL 52 Ca -0.03 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.56 2pnk h VAL 52 Cb 1.30 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 2pnk h VAL 52 CO 0.04 0.34 0.23 0.00 0.02 0.00 0.00 177.57 178.20 2pnk h ALA 53 N 0.95 0.54 -0.42 1.67 0.00 -1.32 -2.99 119.26 117.69 2pnk h ALA 53 Ca 0.14 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2pnk h ALA 53 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2pnk h ALA 53 CO 0.01 -0.12 -0.25 0.93 0.00 0.00 0.00 179.25 179.82 2pnk h GLU 54 N 0.46 0.92 -2.21 0.00 5.08 -1.32 -3.23 114.58 114.27 2pnk h GLU 54 Ca 0.18 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 2pnk h GLU 54 Cb 0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2pnk h GLU 54 CO -0.11 1.08 0.04 1.55 -1.00 0.00 0.00 179.01 180.57 2pnk n VAL 55 N -4.15 1.03 0.00 3.13 3.14 -0.17 -3.93 118.33 117.38 2pnk n VAL 55 Ca -0.01 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 2pnk n VAL 55 Cb 0.47 -1.40 0.00 0.00 -1.06 0.00 0.00 33.84 31.85 2pnk n VAL 55 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2pnk n ARG 57 N 2.16 0.00 -0.01 1.45 1.74 -1.22 -1.16 116.66 119.61 2pnk n ARG 57 Ca 0.07 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.14 2pnk n ARG 57 Cb 0.28 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.71 2pnk n ARG 57 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2pnk n TRP 58 N 0.00 0.00 -2.83 -1.55 7.02 -1.25 -5.07 117.44 113.75 2pnk n TRP 58 Ca 0.00 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.13 2pnk n TRP 58 Cb 0.00 -0.08 -0.07 0.00 -2.42 0.00 0.00 31.31 28.74 2pnk n TRP 58 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2pnk s THR 59 N -2.04 4.31 -0.96 -0.99 -1.32 -0.31 -4.95 115.64 109.38 2pnk s THR 59 Ca -0.02 1.64 0.26 0.00 -1.21 0.00 0.00 61.69 62.35 2pnk s THR 59 Cb 0.01 -3.85 0.22 0.00 -1.51 0.00 0.00 72.50 67.36 2pnk s THR 59 CO 0.05 -0.01 1.81 0.47 -2.21 0.00 0.00 174.62 174.73 2pnk n ASP 60 N 0.16 0.10 -4.70 8.08 8.00 -1.26 -4.84 116.55 122.08 2pnk n ASP 60 Ca 0.03 0.51 -0.42 0.00 0.71 0.00 0.00 54.79 55.62 2pnk n ASP 60 Cb 0.52 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 2pnk n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pnk s VAL 61 N -3.02 4.17 0.65 2.53 1.01 -1.26 -5.01 120.40 119.47 2pnk s VAL 61 Ca 0.12 1.52 -0.15 0.00 0.00 0.00 0.00 61.98 63.47 2pnk s VAL 61 Cb 0.16 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 2pnk s VAL 61 CO 0.48 0.04 1.12 -0.94 0.00 0.00 0.00 175.10 175.80 2pnk s SER 62 N 1.36 5.08 0.45 3.32 1.04 -1.26 -4.82 113.70 118.87 2pnk s SER 62 Ca 0.57 2.05 0.13 0.00 0.48 0.00 0.00 55.95 59.18 2pnk s SER 62 Cb -0.27 -2.56 1.00 0.00 0.10 0.00 0.00 66.02 64.30 2pnk s SER 62 CO 0.25 -1.65 2.02 -0.29 0.98 0.00 0.00 173.24 174.55 2pnk h ILE 63 N 0.11 1.10 0.65 -1.02 6.09 -1.96 0.21 117.51 122.69 2pnk h ILE 63 Ca -0.47 -0.44 -0.03 0.00 -1.37 0.00 0.00 64.86 62.55 2pnk h ILE 63 Cb 1.25 1.11 0.01 0.00 0.47 0.00 0.00 36.82 39.66 2pnk h ILE 63 CO 0.54 0.14 -0.31 -0.33 -3.07 0.00 0.00 178.15 175.11 2pnk h GLU 64 N 0.12 -0.84 -0.60 2.19 3.07 -1.93 -2.03 114.58 114.57 2pnk h GLU 64 Ca 0.03 0.06 0.05 0.00 -0.50 0.00 0.00 59.36 59.00 2pnk h GLU 64 Cb 0.20 0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 2pnk h GLU 64 CO 0.01 -0.52 0.40 0.00 -1.40 0.00 0.00 179.01 177.49 2pnk h ALA 65 N -0.71 1.77 -0.20 3.43 0.00 -1.80 -2.17 119.26 119.58 2pnk h ALA 65 Ca -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2pnk h ALA 65 Cb 0.70 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2pnk h ALA 65 CO 0.15 0.15 0.11 0.35 0.00 0.00 0.00 179.25 180.00 2pnk h PHE 66 N 0.63 0.27 0.00 0.00 3.57 -0.77 -2.30 116.94 118.34 2pnk h PHE 66 Ca 0.25 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 2pnk h PHE 66 Cb 0.21 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2pnk h PHE 66 CO -0.00 0.24 -0.10 -1.49 -2.23 0.00 0.00 178.31 174.73 2pnk h TRP 67 N 0.22 0.00 0.00 0.41 -0.00 -1.04 -3.45 115.95 112.09 2pnk h TRP 67 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.86 2pnk h TRP 67 Cb 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.19 2pnk h TRP 67 CO -0.04 0.10 -0.12 0.00 -0.00 0.00 0.00 178.44 178.38 2pnk n ALA 68 N -2.17 4.54 -2.69 1.49 0.00 -0.85 -5.06 120.51 115.77 2pnk n ALA 68 Ca -0.00 -0.92 -0.22 0.00 0.00 0.00 0.00 53.44 52.30 2pnk n ALA 68 Cb 0.32 -1.93 -0.05 0.00 0.00 0.00 0.00 19.45 17.80 2pnk n ALA 68 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pnk s SER 70 N 2.15 5.25 0.22 0.00 1.04 -1.26 -5.09 113.70 116.00 2pnk s SER 70 Ca 0.34 -0.41 -0.10 0.00 0.48 0.00 0.00 55.95 56.25 2pnk s SER 70 Cb 0.16 -1.16 0.32 0.00 0.10 0.00 0.00 66.02 65.44 2pnk s SER 70 CO 0.00 -0.13 1.68 0.50 0.98 0.00 0.00 173.24 176.27 2pnk h LYS 71 N 1.49 0.18 -0.53 4.02 1.63 -1.97 -0.86 116.57 120.54 2pnk h LYS 71 Ca -0.46 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.25 2pnk h LYS 71 Cb 1.25 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.81 2pnk h LYS 71 CO 0.60 0.12 0.05 -0.09 -3.45 0.00 0.00 179.45 176.68 2pnk h ARG 72 N 0.18 0.86 -0.54 1.90 2.43 -1.99 -0.41 114.38 116.81 2pnk h ARG 72 Ca 0.33 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2pnk h ARG 72 Cb 0.53 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2pnk h ARG 72 CO -0.48 0.83 -0.01 0.93 -1.51 0.00 0.00 179.97 179.72 2pnk h GLU 73 N 0.81 0.97 0.10 0.20 5.08 -1.81 0.21 114.58 120.14 2pnk h GLU 73 Ca 0.16 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2pnk h GLU 73 Cb 0.42 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2pnk h GLU 73 CO 0.01 0.98 -0.05 1.96 -1.00 0.00 0.00 179.01 180.92 2pnk h GLN 74 N 0.85 -0.13 -0.45 2.33 4.20 -0.83 -1.31 115.11 119.77 2pnk h GLN 74 Ca 0.15 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.95 2pnk h GLN 74 Cb 0.55 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 2pnk h GLN 74 CO 0.03 0.06 0.03 0.00 -0.67 0.00 0.00 178.83 178.28 2pnk h ALA 75 N 0.59 0.44 -0.71 3.87 0.00 -1.03 -0.80 119.26 121.63 2pnk h ALA 75 Ca -0.01 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2pnk h ALA 75 Cb 0.25 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2pnk h ALA 75 CO 0.02 -0.37 0.41 -0.44 0.00 0.00 0.00 179.25 178.88 2pnk h ASP 76 N 0.14 0.63 -0.28 0.00 3.32 -0.71 -0.60 116.42 118.93 2pnk h ASP 76 Ca 0.22 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 2pnk h ASP 76 Cb 0.32 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2pnk h ASP 76 CO -0.35 0.41 -0.00 0.25 -1.72 0.00 0.00 179.24 177.83 2pnk h LEU 77 N 0.77 0.49 -0.62 1.55 5.85 -0.60 -1.94 115.31 120.81 2pnk h LEU 77 Ca 0.31 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2pnk h LEU 77 Cb 0.16 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2pnk h LEU 77 CO -0.17 0.68 0.32 0.40 -0.34 0.00 0.00 178.44 179.34 2pnk h ILE 78 N 0.28 1.21 -0.14 4.05 2.04 -0.93 0.70 117.51 124.72 2pnk h ILE 78 Ca 0.08 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.43 2pnk h ILE 78 Cb 0.43 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2pnk h ILE 78 CO 0.02 0.23 -0.12 -0.25 0.00 0.00 0.00 178.15 178.02 2pnk h TRP 79 N 0.85 -0.31 -0.38 1.37 2.91 -1.06 -0.43 115.95 118.90 2pnk h TRP 79 Ca 0.22 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.23 2pnk h TRP 79 Cb 0.07 0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.87 2pnk h TRP 79 CO -0.00 -0.19 0.13 1.49 -1.03 0.00 0.00 178.44 178.84 2pnk h GLU 80 N -0.14 0.59 -0.12 2.65 4.57 -0.97 -1.32 114.58 119.84 2pnk h GLU 80 Ca 0.09 -0.12 -0.22 0.00 -1.18 0.00 0.00 59.36 57.93 2pnk h GLU 80 Cb 0.28 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2pnk h GLU 80 CO -0.23 0.58 -0.81 0.93 -1.18 0.00 0.00 179.01 178.31 2pnk h GLU 81 N 0.47 0.70 0.00 1.92 4.39 -0.73 -0.42 114.58 120.91 2pnk h GLU 81 Ca 0.13 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2pnk h GLU 81 Cb 0.23 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2pnk h GLU 81 CO -0.01 1.21 -1.72 1.28 -1.16 0.00 0.00 179.01 178.62 2pnk n LEU 82 N -3.90 0.05 -0.05 1.33 4.77 -0.18 -3.80 117.00 115.22 2pnk n LEU 82 Ca -0.07 -0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.80 2pnk n LEU 82 Cb 0.76 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.79 2pnk n LEU 82 CO 0.52 0.01 -0.85 0.49 -1.33 0.00 0.00 177.39 176.24 2pnk n PHE 83 N -2.05 0.00 -0.10 -1.77 3.01 -0.54 -3.31 117.46 112.70 2pnk n PHE 83 Ca -0.03 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.20 2pnk n PHE 83 Cb 0.43 -0.43 -0.12 0.00 -0.01 0.00 0.00 39.48 39.36 2pnk n PHE 83 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2pnk n ILE 84 N -2.71 1.57 0.17 4.37 2.08 -0.94 -4.34 119.36 119.55 2pnk n ILE 84 Ca -0.18 -0.40 0.08 0.00 0.56 0.00 0.00 62.75 62.80 2pnk n ILE 84 Cb 0.73 -1.77 0.08 0.00 -0.75 0.00 0.00 39.64 37.93 2pnk n ILE 84 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2pnk h LYS 85 N -0.54 0.00 -4.27 0.38 1.57 -1.25 -3.45 116.57 109.01 2pnk h LYS 85 Ca -0.54 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.08 2pnk h LYS 85 Cb 1.70 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.84 2pnk h LYS 85 CO -0.19 0.20 -0.69 1.03 -0.57 0.00 0.00 179.45 179.22 2pnk s ARG 86 N -3.12 0.57 0.29 3.15 3.00 -1.25 -5.05 118.95 116.55 2pnk s ARG 86 Ca 0.04 -1.07 -0.29 0.00 0.00 0.00 0.00 55.73 54.42 2pnk s ARG 86 Cb 0.07 0.08 -0.09 0.00 0.00 0.00 0.00 34.95 35.01 2pnk s ARG 86 CO 0.72 -0.07 1.09 -1.12 0.00 0.00 0.00 175.30 175.92 2pnk s SER 87 N -2.52 7.22 -1.39 0.23 0.01 -1.26 -3.50 113.70 112.48 2pnk s SER 87 Ca 0.01 2.25 -0.09 0.00 1.31 0.00 0.00 55.95 59.43 2pnk s SER 87 Cb 0.02 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.56 2pnk s SER 87 CO -0.06 -0.18 2.65 -0.81 0.41 0.00 0.00 173.24 175.25 2pnk n PRO 88 N 1.06 3.14 0.07 12.44 -0.04 -1.21 -4.64 135.00 145.83 2pnk n PRO 88 Ca -0.01 -2.00 0.12 0.00 -0.04 0.00 0.00 63.50 61.57 2pnk n PRO 88 Cb 0.45 -2.73 0.26 0.00 -0.04 0.00 0.00 33.50 31.44 2pnk n PRO 88 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2pnk n VAL 89 N 3.92 0.43 -1.42 0.52 0.24 -1.26 -3.21 118.33 117.54 2pnk n VAL 89 Ca 0.67 -0.27 -0.33 0.00 -2.04 0.00 0.00 64.34 62.37 2pnk n VAL 89 Cb 0.22 -0.29 0.09 0.00 -1.47 0.00 0.00 33.84 32.39 2pnk n VAL 89 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2pnk s SER 90 N -4.29 4.31 0.21 -1.34 1.04 -1.26 -4.76 113.70 107.61 2pnk s SER 90 Ca 0.08 2.21 -0.09 0.00 0.48 0.00 0.00 55.95 58.62 2pnk s SER 90 Cb 0.13 -2.57 0.22 0.00 0.10 0.00 0.00 66.02 63.90 2pnk s SER 90 CO 0.67 -2.17 1.85 -0.08 0.98 0.00 0.00 173.24 174.49 2pnk h GLU 91 N -0.45 0.86 -0.66 4.02 4.57 -1.97 0.20 114.58 121.16 2pnk h GLU 91 Ca -0.47 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 57.60 2pnk h GLU 91 Cb 1.27 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.64 2pnk h GLU 91 CO 0.50 0.57 0.18 0.00 -1.18 0.00 0.00 179.01 179.08 2pnk h ALA 92 N 1.32 0.86 -0.12 2.92 0.00 -1.95 -0.26 119.26 122.03 2pnk h ALA 92 Ca 0.30 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2pnk h ALA 92 Cb 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2pnk h ALA 92 CO -0.12 0.56 -0.17 0.00 0.00 0.00 0.00 179.25 179.52 2pnk h ARG 94 N -0.08 0.33 -0.90 0.00 2.43 -0.88 -2.45 114.38 112.82 2pnk h ARG 94 Ca 0.01 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2pnk h ARG 94 Cb 0.72 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 2pnk h ARG 94 CO 0.04 0.22 0.50 0.78 -1.51 0.00 0.00 179.97 179.99 2pnk h GLY 95 N 0.34 1.35 0.75 2.80 0.00 -0.83 -1.45 103.07 106.03 2pnk h GLY 95 Ca 0.51 -0.61 0.05 0.00 0.00 0.00 0.00 47.33 47.28 2pnk h GLY 95 CO -0.54 0.58 0.40 -2.08 0.00 0.00 0.00 176.54 174.90 2pnk h VAL 96 N 1.26 1.01 -0.45 4.60 2.07 -1.16 -2.00 116.25 121.59 2pnk h VAL 96 Ca 0.32 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.47 2pnk h VAL 96 Cb 0.02 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 2pnk h VAL 96 CO -0.05 0.14 -0.17 -0.07 0.02 0.00 0.00 177.57 177.43 2pnk h LEU 97 N 0.75 0.87 -1.06 2.57 3.38 -1.23 -2.18 115.31 118.40 2pnk h LEU 97 Ca 0.29 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2pnk h LEU 97 Cb 0.13 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2pnk h LEU 97 CO -0.15 1.03 0.51 0.74 0.09 0.00 0.00 178.44 180.65 2pnk h THR 98 N 0.76 1.24 0.14 0.22 2.02 -0.93 -1.36 112.91 114.99 2pnk h THR 98 Ca 0.11 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 2pnk h THR 98 Cb 0.70 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2pnk h THR 98 CO 0.05 0.25 -0.07 0.00 0.37 0.00 0.00 175.52 176.13 2pnk h LEU 100 N -0.30 0.41 -0.40 0.00 3.38 -1.16 -1.49 115.31 115.75 2pnk h LEU 100 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2pnk h LEU 100 Cb 0.24 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2pnk h LEU 100 CO 0.03 0.30 0.24 -0.61 0.09 0.00 0.00 178.44 178.49 2pnk h GLN 101 N 0.52 0.48 -0.00 1.13 4.15 -1.24 0.78 115.11 120.94 2pnk h GLN 101 Ca 0.17 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 2pnk h GLN 101 Cb 0.01 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 2pnk h GLN 101 CO -0.08 0.32 -0.14 0.78 -1.93 0.00 0.00 178.83 177.78 2pnk h GLY 102 N 0.50 0.00 1.63 2.39 0.00 -0.63 0.93 103.07 107.89 2pnk h GLY 102 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2pnk h GLY 102 CO -0.06 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.52 2pnk n LEU 103 N -4.38 0.00 0.00 3.11 4.77 -0.61 -4.90 117.00 115.00 2pnk n LEU 103 Ca -0.03 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2pnk n LEU 103 Cb 0.21 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2pnk n LEU 103 CO 0.36 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2pnk n GLY 104 N 1.04 0.66 3.86 -0.72 0.00 0.32 -5.07 105.19 105.29 2pnk n GLY 104 Ca 0.12 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2pnk n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pnk s LEU 105 N 0.00 3.88 -0.42 0.99 1.43 0.24 -4.99 118.68 119.81 2pnk s LEU 105 Ca 0.00 1.23 -0.08 0.00 -1.03 0.00 0.00 54.13 54.25 2pnk s LEU 105 Cb 0.00 -4.10 0.08 0.00 0.03 0.00 0.00 46.19 42.21 2pnk s LEU 105 CO 0.00 -0.36 0.25 -0.62 0.23 0.00 0.00 176.35 175.85 2pnk s ASP 106 N -2.88 5.58 0.58 2.29 2.15 -1.26 -3.56 116.67 119.57 2pnk s ASP 106 Ca 0.53 -1.56 0.39 0.00 0.43 0.00 0.00 52.55 52.34 2pnk s ASP 106 Cb -0.10 -1.96 2.08 0.00 -0.30 0.00 0.00 42.92 42.63 2pnk s ASP 106 CO 0.27 -0.53 2.19 -0.65 -0.17 0.00 0.00 175.17 176.27 2pnk h PRO 107 N 8.36 0.00 -0.29 4.34 0.11 -1.90 -2.77 132.00 139.86 2pnk h PRO 107 Ca -0.22 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.89 2pnk h PRO 107 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2pnk h PRO 107 CO 0.75 0.00 0.17 0.00 -0.21 0.00 0.00 178.00 178.71 2pnk h ALA 108 N 2.01 1.77 0.00 -0.75 0.00 -2.01 -2.59 119.26 117.69 2pnk h ALA 108 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2pnk h ALA 108 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2pnk h ALA 108 CO 0.00 0.21 -0.24 1.79 0.00 0.00 0.00 179.25 181.01 2pnk h THR 109 N 0.39 0.41 -2.62 0.00 1.35 -1.93 -3.47 112.91 107.05 2pnk h THR 109 Ca 0.10 -1.56 -0.39 0.00 -0.55 0.00 0.00 66.41 64.02 2pnk h THR 109 Cb -0.02 2.18 -0.05 0.00 -1.73 0.00 0.00 68.15 68.53 2pnk h THR 109 CO -0.02 0.23 -0.46 0.54 -0.25 0.00 0.00 175.52 175.56 2pnk n ARG 110 N -3.17 -1.69 -3.07 4.72 1.74 -0.98 -4.89 116.66 109.33 2pnk n ARG 110 Ca 0.03 0.99 -0.44 0.00 -0.77 0.00 0.00 57.85 57.66 2pnk n ARG 110 Cb 0.62 -5.57 -0.01 0.00 -1.02 0.00 0.00 32.46 26.48 2pnk n ARG 110 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2pnk s ASP 111 N -2.20 7.02 0.38 0.55 -1.08 -1.26 -4.85 116.67 115.22 2pnk s ASP 111 Ca 0.00 -2.93 0.04 0.00 -0.52 0.00 0.00 52.55 49.15 2pnk s ASP 111 Cb 0.00 -2.34 0.73 0.00 -1.46 0.00 0.00 42.92 39.85 2pnk s ASP 111 CO 0.00 -0.69 2.03 0.25 0.52 0.00 0.00 175.17 177.29 2pnk h LEU 112 N 8.98 0.62 -0.93 -1.34 5.85 -1.98 -1.50 115.31 125.01 2pnk h LEU 112 Ca 0.24 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 2pnk h LEU 112 Cb 0.92 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2pnk h LEU 112 CO 1.12 0.45 -0.13 1.56 -0.34 0.00 0.00 178.44 181.10 2pnk h GLN 113 N 0.73 0.64 -0.24 1.25 1.08 -2.00 -1.28 115.11 115.28 2pnk h GLN 113 Ca 0.20 -0.21 -0.20 0.00 -1.45 0.00 0.00 58.65 56.99 2pnk h GLN 113 Cb -0.08 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 2pnk h GLN 113 CO -0.04 0.75 -0.63 0.28 -0.95 0.00 0.00 178.83 178.24 2pnk h VAL 114 N 0.58 1.27 -0.82 -0.54 2.07 -1.74 -2.73 116.25 114.35 2pnk h VAL 114 Ca 0.10 -1.81 0.02 0.00 0.82 0.00 0.00 66.70 65.83 2pnk h VAL 114 Cb 0.56 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 2pnk h VAL 114 CO 0.04 0.59 0.53 1.88 0.02 0.00 0.00 177.57 180.63 2pnk h TYR 115 N 0.63 1.00 -0.96 1.57 0.05 -0.99 -2.57 116.97 115.71 2pnk h TYR 115 Ca -0.01 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.81 2pnk h TYR 115 Cb 1.25 -0.34 -0.05 0.00 1.01 0.00 0.00 36.73 38.60 2pnk h TYR 115 CO 0.08 0.61 0.64 0.00 -1.05 0.00 0.00 178.16 178.43 2pnk h ARG 116 N 1.06 1.24 -0.27 4.88 3.08 -1.17 -2.10 114.38 121.10 2pnk h ARG 116 Ca 0.31 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.34 2pnk h ARG 116 Cb -0.06 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.70 2pnk h ARG 116 CO -0.09 0.82 0.19 0.93 -1.07 0.00 0.00 179.97 180.75 2pnk h GLU 117 N 1.27 0.13 -0.33 0.04 5.08 -1.14 -2.32 114.58 117.31 2pnk h GLU 117 Ca 0.36 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 2pnk h GLU 117 Cb -0.10 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2pnk h GLU 117 CO -0.09 0.08 0.15 -0.92 -1.00 0.00 0.00 179.01 177.23 2pnk h TYR 118 N 0.13 0.50 0.00 4.33 5.03 -1.32 -3.15 116.97 122.49 2pnk h TYR 118 Ca 0.12 -0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.25 2pnk h TYR 118 Cb 0.33 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.43 2pnk h TYR 118 CO -0.00 0.45 -0.73 0.74 -1.32 0.00 0.00 178.16 177.30 2pnk h PHE 119 N 0.40 0.00 0.00 -3.82 0.04 -1.49 -3.05 116.94 109.02 2pnk h PHE 119 Ca 0.11 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 2pnk h PHE 119 Cb 0.15 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 2pnk h PHE 119 CO -0.01 0.73 -0.02 0.00 -0.60 0.00 0.00 178.31 178.41 2pnk h ALA 120 N 1.27 1.04 -0.00 2.45 0.00 -1.44 -2.87 119.26 119.70 2pnk h ALA 120 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pnk h ALA 120 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2pnk h ALA 120 CO 0.10 0.02 -0.12 1.63 0.00 0.00 0.00 179.25 180.88 2pnk n LYS 121 N -3.17 0.18 -4.38 0.00 5.02 -1.15 -4.94 118.16 109.71 2pnk n LYS 121 Ca -0.01 -0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.03 2pnk n LYS 121 Cb 0.20 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.60 2pnk n LYS 121 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2pnk s LYS 122 N -2.85 1.42 0.49 1.97 1.02 -1.09 -5.15 119.74 115.56 2pnk s LYS 122 Ca 0.18 -1.59 -0.02 0.00 0.02 0.00 0.00 55.97 54.56 2pnk s LYS 122 Cb 0.19 -1.39 -0.01 0.00 -0.52 0.00 0.00 37.83 36.11 2pnk s LYS 122 CO 0.55 0.26 0.75 0.95 -0.92 0.00 0.00 175.35 176.93 2pnk s THR 123 N -2.55 4.08 0.18 2.17 -4.23 -1.26 -4.97 115.64 109.07 2pnk s THR 123 Ca 0.23 -0.25 -0.13 0.00 -1.18 0.00 0.00 61.69 60.36 2pnk s THR 123 Cb -0.04 -3.55 0.09 0.00 1.34 0.00 0.00 72.50 70.35 2pnk s THR 123 CO 0.09 -0.46 1.75 0.28 -0.54 0.00 0.00 174.62 175.75 2pnk h SER 124 N 0.22 0.20 -0.70 3.99 0.02 -1.97 -1.02 113.55 114.29 2pnk h SER 124 Ca -0.46 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.49 2pnk h SER 124 Cb 1.25 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 2pnk h SER 124 CO 0.59 0.14 0.24 -0.33 -1.14 0.00 0.00 176.83 176.33 2pnk h GLU 125 N 0.37 1.10 -0.47 3.45 3.07 -1.95 -0.72 114.58 119.43 2pnk h GLU 125 Ca 0.24 -0.22 -0.05 0.00 -0.50 0.00 0.00 59.36 58.83 2pnk h GLU 125 Cb 0.24 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 2pnk h GLU 125 CO -0.23 0.92 0.11 0.93 -1.40 0.00 0.00 179.01 179.34 2pnk h GLU 126 N 1.06 0.75 -0.42 2.33 5.08 -1.85 -2.47 114.58 119.05 2pnk h GLU 126 Ca 0.23 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2pnk h GLU 126 Cb 0.27 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2pnk h GLU 126 CO -0.01 0.74 -0.18 0.37 -1.00 0.00 0.00 179.01 178.92 2pnk h GLN 127 N 0.63 0.81 -0.67 2.33 5.75 -0.71 -0.57 115.11 122.67 2pnk h GLN 127 Ca 0.15 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.32 2pnk h GLN 127 Cb 0.32 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 2pnk h GLN 127 CO 0.00 0.93 0.36 0.28 -2.65 0.00 0.00 178.83 177.75 2pnk h VAL 128 N 0.71 1.21 -0.43 2.39 2.07 -1.10 0.15 116.25 121.25 2pnk h VAL 128 Ca 0.11 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 2pnk h VAL 128 Cb 0.69 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2pnk h VAL 128 CO 0.05 0.24 0.26 0.44 0.02 0.00 0.00 177.57 178.58 2pnk h ASP 129 N 0.92 0.52 0.04 0.57 3.32 -1.00 -1.10 116.42 119.70 2pnk h ASP 129 Ca 0.23 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2pnk h ASP 129 Cb 0.05 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2pnk h ASP 129 CO -0.04 0.43 -0.02 0.74 -1.72 0.00 0.00 179.24 178.63 2pnk h THR 130 N 0.58 1.05 -0.33 0.35 2.02 -0.63 -2.75 112.91 113.19 2pnk h THR 130 Ca 0.16 -0.27 -0.13 0.00 0.77 0.00 0.00 66.41 66.93 2pnk h THR 130 Cb 0.00 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2pnk h THR 130 CO -0.03 0.07 -0.32 0.58 0.37 0.00 0.00 175.52 176.19 2pnk h VAL 131 N -0.17 1.29 -0.58 3.16 2.07 -0.62 -0.66 116.25 120.73 2pnk h VAL 131 Ca -0.01 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 65.96 2pnk h VAL 131 Cb 0.16 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2pnk h VAL 131 CO 0.01 0.49 0.11 -0.07 0.02 0.00 0.00 177.57 178.12 2pnk h LEU 132 N 0.57 0.88 0.03 2.57 3.38 -1.25 0.25 115.31 121.73 2pnk h LEU 132 Ca 0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2pnk h LEU 132 Cb 0.90 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2pnk h LEU 132 CO 0.08 0.87 -0.01 -0.61 0.09 0.00 0.00 178.44 178.86 2pnk h GLN 133 N 0.88 -0.03 -0.28 1.13 4.15 -1.40 -0.33 115.11 119.23 2pnk h GLN 133 Ca 0.18 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.54 2pnk h GLN 133 Cb 0.37 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 2pnk h GLN 133 CO 0.01 0.17 -0.10 -0.07 -1.93 0.00 0.00 178.83 176.91 2pnk h LEU 134 N -0.23 0.44 -0.10 -2.39 3.38 -0.67 -2.38 115.31 113.36 2pnk h LEU 134 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2pnk h LEU 134 Cb 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2pnk h LEU 134 CO 0.01 0.59 -0.24 0.00 0.09 0.00 0.00 178.44 178.88 2pnk n ALA 135 N -2.48 2.96 -3.76 1.53 0.00 0.85 -4.96 120.51 114.65 2pnk n ALA 135 Ca 0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 53.44 52.95 2pnk n ALA 135 Cb 0.30 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.50 2pnk n ALA 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2pnk n ASN 136 N -1.30 -1.50 -4.37 0.00 5.15 -0.26 -4.86 115.26 108.13 2pnk n ASN 136 Ca 0.09 -0.84 -0.37 0.00 -0.60 0.00 0.00 54.58 52.86 2pnk n ASN 136 Cb 0.32 -3.89 -0.13 0.00 -0.53 0.00 0.00 39.78 35.56 2pnk n ASN 136 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2pnk s VAL 137 N -3.66 4.00 -0.03 3.44 1.01 -0.48 -1.06 120.40 123.62 2pnk s VAL 137 Ca 0.09 -0.51 0.12 0.00 0.00 0.00 0.00 61.98 61.68 2pnk s VAL 137 Cb -0.04 -2.98 -0.21 0.00 0.00 0.00 0.00 36.38 33.14 2pnk s VAL 137 CO 0.83 0.20 0.76 0.77 0.00 0.00 0.00 175.10 177.65 2pnk h SER 138 N 8.22 0.00 -3.54 3.32 4.64 -1.49 -3.43 113.55 121.27 2pnk h SER 138 Ca -0.35 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.70 2pnk h SER 138 Cb 1.14 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.91 2pnk h SER 138 CO 0.60 0.95 -0.68 -1.81 -0.87 0.00 0.00 176.83 175.01 2pnk s ASP 139 N -6.13 -0.00 -0.14 4.97 1.01 -1.16 -4.74 116.67 110.48 2pnk s ASP 139 Ca -0.04 0.12 0.02 0.00 0.71 0.00 0.00 52.55 53.37 2pnk s ASP 139 Cb 0.08 0.03 0.01 0.00 1.01 0.00 0.00 42.92 44.05 2pnk s ASP 139 CO 0.82 -0.11 -0.22 -0.69 0.21 0.00 0.00 175.17 175.18 2pnk s VAL 140 N 0.91 2.05 0.63 -1.27 1.01 0.18 -0.85 120.40 123.05 2pnk s VAL 140 Ca -0.07 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2pnk s VAL 140 Cb -0.10 -1.82 0.08 0.00 0.00 0.00 0.00 36.38 34.54 2pnk s VAL 140 CO -0.03 0.55 0.87 -0.69 0.00 0.00 0.00 175.10 175.80 2pnk s VAL 141 N 0.84 2.38 -0.22 2.92 1.01 -0.56 -0.44 120.40 126.34 2pnk s VAL 141 Ca -0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 2pnk s VAL 141 Cb -0.15 -2.72 0.07 0.00 0.00 0.00 0.00 36.38 33.58 2pnk s VAL 141 CO -0.03 0.00 0.06 -0.89 0.00 0.00 0.00 175.10 174.24 2pnk s THR 143 N -2.92 0.49 -0.27 3.92 2.01 -1.03 -1.53 115.64 116.30 2pnk s THR 143 Ca 0.62 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.87 2pnk s THR 143 Cb -0.08 -1.10 0.01 0.00 0.01 0.00 0.00 72.50 71.34 2pnk s THR 143 CO 0.41 -0.34 0.03 0.20 -0.69 0.00 0.00 174.62 174.23 2pnk s ASN 144 N 1.86 4.82 -0.37 3.53 -0.87 0.06 -4.94 114.94 119.02 2pnk s ASN 144 Ca 0.02 -0.68 -0.03 0.00 -1.57 0.00 0.00 52.86 50.60 2pnk s ASN 144 Cb -0.17 -1.81 0.09 0.00 -0.02 0.00 0.00 41.25 39.34 2pnk s ASN 144 CO -0.14 -0.14 0.14 -0.62 -2.57 0.00 0.00 177.10 173.77 2pnk s ASP 145 N 1.46 5.18 0.00 -1.22 -1.08 -1.26 -0.04 116.67 119.71 2pnk s ASP 145 Ca 0.03 -1.74 0.12 0.00 -0.52 0.00 0.00 52.55 50.44 2pnk s ASP 145 Cb -0.17 -1.81 0.53 0.00 -1.46 0.00 0.00 42.92 40.02 2pnk s ASP 145 CO 0.00 -0.45 1.34 -0.81 0.52 0.00 0.00 175.17 175.77 2pnk n PRO 146 N 4.63 0.06 0.00 4.34 -0.04 -1.26 -1.81 135.00 140.92 2pnk n PRO 146 Ca -0.06 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2pnk n PRO 146 Cb 0.42 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.67 2pnk n PRO 146 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2pnk n PHE 147 N -1.43 0.04 -2.74 0.54 3.72 -1.26 -4.67 117.46 111.65 2pnk n PHE 147 Ca 0.04 0.01 -0.43 0.00 -0.05 0.00 0.00 57.45 57.02 2pnk n PHE 147 Cb 0.12 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.32 2pnk n PHE 147 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2pnk s ASP 148 N -3.09 6.83 0.25 4.37 -1.08 -0.75 -4.94 116.67 118.25 2pnk s ASP 148 Ca 0.11 0.88 -0.04 0.00 -0.52 0.00 0.00 52.55 52.98 2pnk s ASP 148 Cb 0.17 -2.50 0.35 0.00 -1.46 0.00 0.00 42.92 39.49 2pnk s ASP 148 CO 0.68 -0.80 1.87 0.44 0.52 0.00 0.00 175.17 177.89 2pnk h ASP 149 N 8.14 0.96 -0.58 -0.34 5.19 -1.87 0.23 116.42 128.15 2pnk h ASP 149 Ca -0.22 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.20 2pnk h ASP 149 Cb 1.07 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.36 2pnk h ASP 149 CO 0.98 0.63 0.35 0.78 -3.12 0.00 0.00 179.24 178.86 2pnk h ASN 150 N 1.10 0.69 -0.02 6.45 2.35 -1.95 -2.99 115.58 121.21 2pnk h ASN 150 Ca 0.40 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 56.03 2pnk h ASN 150 Cb 0.12 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2pnk h ASN 150 CO -0.16 0.54 -0.24 -0.33 -1.65 0.00 0.00 177.43 175.60 2pnk h GLU 151 N 0.78 0.20 -0.30 0.81 5.08 -1.66 -3.33 114.58 116.16 2pnk h GLU 151 Ca 0.21 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2pnk h GLU 151 Cb -0.03 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2pnk h GLU 151 CO -0.04 0.88 0.21 -0.09 -1.00 0.00 0.00 179.01 178.97 2pnk h ARG 152 N -0.42 0.19 -0.37 2.33 2.43 -0.57 -2.43 114.38 115.54 2pnk h ARG 152 Ca -0.02 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2pnk h ARG 152 Cb 0.95 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 2pnk h ARG 152 CO 0.05 0.13 0.18 0.97 -1.51 0.00 0.00 179.97 179.79 2pnk h ILE 153 N 0.20 0.97 -0.64 1.20 2.10 -1.63 -1.92 117.51 117.79 2pnk h ILE 153 Ca 0.13 -0.13 -0.06 0.00 1.08 0.00 0.00 64.86 65.88 2pnk h ILE 153 Cb 0.28 0.57 -0.03 0.00 -1.09 0.00 0.00 36.82 36.55 2pnk h ILE 153 CO -0.02 0.07 0.16 0.28 -1.08 0.00 0.00 178.15 177.55 2pnk h SER 154 N 0.37 0.97 -0.56 2.19 0.02 -1.62 0.11 113.55 115.04 2pnk h SER 154 Ca 0.16 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2pnk h SER 154 Cb 0.07 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2pnk h SER 154 CO -0.11 0.95 0.19 -0.50 -1.14 0.00 0.00 176.83 176.22 2pnk h TRP 155 N 0.95 0.89 -0.08 3.45 4.06 -1.56 -1.24 115.95 122.42 2pnk h TRP 155 Ca 0.20 -0.08 -0.14 0.00 2.06 0.00 0.00 58.89 60.93 2pnk h TRP 155 Cb 0.36 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.25 2pnk h TRP 155 CO 0.03 0.74 -0.55 -0.07 -3.56 0.00 0.00 178.44 175.03 2pnk h LEU 156 N 0.78 0.27 -0.89 -4.49 3.38 -0.98 -2.66 115.31 110.72 2pnk h LEU 156 Ca 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2pnk h LEU 156 Cb 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2pnk h LEU 156 CO -0.01 0.77 0.00 -0.33 0.09 0.00 0.00 178.44 178.96 2pnk h GLU 157 N 0.19 0.00 0.00 1.13 5.08 -0.86 -3.47 114.58 116.65 2pnk h GLU 157 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pnk h GLU 157 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2pnk h GLU 157 CO 0.09 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.51 2pnk n GLY 158 N 0.09 1.09 3.73 -3.84 0.00 -1.00 -5.07 105.19 100.19 2pnk n GLY 158 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2pnk n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnk s LYS 159 N -0.70 4.39 -0.00 1.61 1.02 -0.49 -5.02 119.74 120.53 2pnk s LYS 159 Ca 0.00 2.04 0.05 0.00 0.02 0.00 0.00 55.97 58.08 2pnk s LYS 159 Cb 0.00 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 2pnk s LYS 159 CO 0.00 -0.26 -0.16 -0.65 -0.92 0.00 0.00 175.35 173.35 2pnk s GLN 160 N 0.04 2.29 0.49 1.68 -1.52 -1.26 -4.54 119.66 116.85 2pnk s GLN 160 Ca 0.57 -0.84 -0.22 0.00 -1.95 0.00 0.00 55.36 52.93 2pnk s GLN 160 Cb -0.36 -2.28 -0.07 0.00 -0.22 0.00 0.00 33.01 30.08 2pnk s GLN 160 CO 0.37 0.58 1.15 -1.25 -0.25 0.00 0.00 175.29 175.89 2pnk s PRO 161 N -1.07 3.59 0.30 2.91 0.04 -1.26 -4.99 135.00 134.51 2pnk s PRO 161 Ca 0.13 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.64 2pnk s PRO 161 Cb -0.11 -2.24 -0.16 0.00 0.04 0.00 0.00 34.50 32.03 2pnk s PRO 161 CO 0.03 -0.68 0.30 -3.47 0.04 0.00 0.00 177.00 173.23 2pnk n ASP 162 N -0.82 -2.02 0.19 6.66 -0.08 -1.26 -4.85 116.55 114.37 2pnk n ASP 162 Ca 0.09 0.96 0.13 0.00 -1.51 0.00 0.00 54.79 54.47 2pnk n ASP 162 Cb 0.49 -0.91 0.67 0.00 2.34 0.00 0.00 41.12 43.72 2pnk n ASP 162 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2pnk h SER 163 N 0.66 0.00 0.95 1.67 4.64 -2.01 -0.38 113.55 119.09 2pnk h SER 163 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2pnk h SER 163 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2pnk h SER 163 CO 0.51 0.00 -0.19 0.54 -0.87 0.00 0.00 176.83 176.83 2pnk n ARG 164 N -2.43 0.08 -4.56 4.77 1.74 -1.26 -4.64 116.66 110.35 2pnk n ARG 164 Ca -0.01 0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.79 2pnk n ARG 164 Cb 0.10 -1.57 -0.14 0.00 -1.02 0.00 0.00 32.46 29.83 2pnk n ARG 164 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2pnk s PHE 165 N -3.04 2.89 0.08 -1.55 0.40 -0.15 -0.65 117.98 115.96 2pnk s PHE 165 Ca 0.12 -0.60 0.08 0.00 -0.60 0.00 0.00 56.93 55.94 2pnk s PHE 165 Cb 0.17 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.76 2pnk s PHE 165 CO 0.60 -0.21 -0.19 -1.01 0.70 0.00 0.00 175.22 175.11 2pnk s HIS 166 N 0.50 2.51 0.26 0.36 3.76 0.42 -4.68 115.29 118.42 2pnk s HIS 166 Ca -0.07 -0.28 -0.18 0.00 -0.15 0.00 0.00 55.06 54.38 2pnk s HIS 166 Cb -0.15 -1.39 -0.08 0.00 1.11 0.00 0.00 32.58 32.06 2pnk s HIS 166 CO 0.04 0.30 0.73 0.00 -0.85 0.00 0.00 174.74 174.96 2pnk s ALA 167 N -1.01 3.38 -0.03 -1.40 0.00 -1.26 -4.38 121.76 117.06 2pnk s ALA 167 Ca 0.16 0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.23 2pnk s ALA 167 Cb -0.10 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.24 2pnk s ALA 167 CO 0.07 0.33 0.02 0.00 0.00 0.00 0.00 175.76 176.18 2pnk s ALA 168 N -1.68 0.31 -0.38 0.00 0.00 -1.26 -0.43 121.76 118.32 2pnk s ALA 168 Ca 0.47 0.16 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 2pnk s ALA 168 Cb -0.14 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.59 2pnk s ALA 168 CO 0.20 -0.20 1.06 -1.17 0.00 0.00 0.00 175.76 175.65 2pnk s LEU 169 N 1.34 3.86 -0.18 0.00 2.96 -0.71 -0.76 118.68 125.19 2pnk s LEU 169 Ca -0.05 0.74 -0.19 0.00 -0.22 0.00 0.00 54.13 54.41 2pnk s LEU 169 Cb -0.13 -3.47 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 2pnk s LEU 169 CO -0.03 -0.99 0.55 -0.60 -1.32 0.00 0.00 176.35 173.96 2pnk s ARG 170 N 3.86 4.23 -0.06 1.98 3.52 0.94 -0.39 118.95 133.03 2pnk s ARG 170 Ca 0.44 0.50 0.09 0.00 -0.13 0.00 0.00 55.73 56.63 2pnk s ARG 170 Cb -0.11 -3.54 0.18 0.00 -1.56 0.00 0.00 34.95 29.93 2pnk s ARG 170 CO 0.21 -0.12 1.12 1.28 -0.81 0.00 0.00 175.30 176.99 2pnk n LEU 171 N 4.66 2.43 -0.20 -0.88 4.77 0.05 -4.38 117.00 123.45 2pnk n LEU 171 Ca -0.04 -2.42 0.01 0.00 -0.03 0.00 0.00 56.01 53.52 2pnk n LEU 171 Cb 0.50 -0.22 0.11 0.00 -2.33 0.00 0.00 43.42 41.49 2pnk n LEU 171 CO 0.43 0.61 0.94 0.44 -1.33 0.00 0.00 177.39 178.49 2pnk h ASP 172 N 0.48 0.09 -0.66 -1.43 5.19 -1.92 -1.68 116.42 116.48 2pnk h ASP 172 Ca 0.00 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2pnk h ASP 172 Cb 0.78 0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.37 2pnk h ASP 172 CO 0.02 0.05 0.41 -0.65 -3.12 0.00 0.00 179.24 175.95 2pnk h PRO 173 N 0.31 0.89 0.23 3.56 0.11 -1.95 0.20 132.00 135.35 2pnk h PRO 173 Ca 0.32 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 2pnk h PRO 173 Cb 0.45 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.37 2pnk h PRO 173 CO -0.37 0.62 -0.11 1.25 -0.21 0.00 0.00 178.00 179.17 2pnk h LEU 174 N 0.91 -0.26 0.10 2.35 5.85 -1.66 -2.17 115.31 120.43 2pnk h LEU 174 Ca 0.24 -0.19 -0.28 0.00 0.84 0.00 0.00 57.88 58.49 2pnk h LEU 174 Cb -0.05 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.05 2pnk h LEU 174 CO -0.05 0.06 -1.23 -0.07 -0.34 0.00 0.00 178.44 176.81 2pnk h LEU 175 N -0.61 0.52 0.00 2.25 3.38 -1.26 -3.19 115.31 116.40 2pnk h LEU 175 Ca -0.03 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2pnk h LEU 175 Cb 0.44 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2pnk h LEU 175 CO 0.05 1.40 -1.40 0.59 0.09 0.00 0.00 178.44 179.17 2pnk n ASN 176 N -3.60 0.67 -1.89 -0.43 3.02 0.68 -3.64 115.26 110.07 2pnk n ASN 176 Ca -0.10 -0.51 -0.02 0.00 -0.03 0.00 0.00 54.58 53.93 2pnk n ASN 176 Cb 1.01 1.44 0.06 0.00 -0.61 0.00 0.00 39.78 41.68 2pnk n ASN 176 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pnk n GLU 177 N -1.81 1.51 -0.21 3.52 1.02 -0.82 -4.90 120.64 118.94 2pnk n GLU 177 Ca 0.00 -3.12 0.14 0.00 -0.02 0.00 0.00 57.16 54.16 2pnk n GLU 177 Cb 0.41 -1.23 0.46 0.00 -0.02 0.00 0.00 31.44 31.06 2pnk n GLU 177 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2pnk h TYR 178 N 1.75 0.61 -0.66 -0.32 3.20 -1.52 0.14 116.97 120.16 2pnk h TYR 178 Ca -0.05 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.91 2pnk h TYR 178 Cb 1.47 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.51 2pnk h TYR 178 CO 0.51 0.22 0.44 0.93 -1.64 0.00 0.00 178.16 178.62 2pnk h GLU 179 N 0.51 0.62 0.10 1.82 4.39 -1.90 0.17 114.58 120.29 2pnk h GLU 179 Ca 0.40 -0.04 -0.26 0.00 0.34 0.00 0.00 59.36 59.81 2pnk h GLU 179 Cb 0.83 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2pnk h GLU 179 CO -0.15 0.41 -1.33 1.96 -1.16 0.00 0.00 179.01 178.74 2pnk h GLN 180 N 0.64 0.21 -0.10 2.33 4.20 -1.64 -3.41 115.11 117.34 2pnk h GLN 180 Ca 0.29 -0.35 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 2pnk h GLN 180 Cb 0.31 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2pnk h GLN 180 CO -0.09 1.17 -0.38 1.15 -0.67 0.00 0.00 178.83 180.01 2pnk h THR 181 N -0.40 1.29 -0.74 -0.54 2.02 -0.68 -2.79 112.91 111.07 2pnk h THR 181 Ca -0.29 -1.42 0.19 0.00 0.77 0.00 0.00 66.41 65.65 2pnk h THR 181 Cb 1.68 1.64 -0.04 0.00 -1.74 0.00 0.00 68.15 69.69 2pnk h THR 181 CO 0.03 0.42 0.52 0.07 0.37 0.00 0.00 175.52 176.93 2pnk h LYS 182 N 0.18 0.14 -0.01 6.66 2.10 -0.90 -0.58 116.57 124.17 2pnk h LYS 182 Ca 0.02 -0.01 -0.19 0.00 -2.00 0.00 0.00 60.65 58.47 2pnk h LYS 182 Cb 0.76 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 2pnk h LYS 182 CO 0.06 0.09 -0.84 0.45 -2.00 0.00 0.00 179.45 177.21 2pnk h HIS 183 N 0.15 0.33 -0.24 0.07 3.86 -1.74 -2.31 115.15 115.27 2pnk h HIS 183 Ca 0.36 -0.17 -0.11 0.00 -1.16 0.00 0.00 60.37 59.29 2pnk h HIS 183 Cb 1.21 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.64 2pnk h HIS 183 CO -0.00 0.96 -0.26 0.00 0.86 0.00 0.00 177.93 179.49 2pnk h ARG 184 N 0.14 0.60 -0.74 2.45 3.08 -1.28 -2.03 114.38 116.61 2pnk h ARG 184 Ca -0.04 -0.33 0.11 0.00 0.07 0.00 0.00 59.98 59.79 2pnk h ARG 184 Cb 1.45 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.43 2pnk h ARG 184 CO 0.13 0.93 0.35 -0.07 -1.07 0.00 0.00 179.97 180.23 2pnk h LEU 185 N 0.31 0.41 -0.50 3.04 3.38 -1.17 -0.49 115.31 120.30 2pnk h LEU 185 Ca 0.04 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2pnk h LEU 185 Cb 0.82 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2pnk h LEU 185 CO 0.06 0.21 0.21 0.03 0.09 0.00 0.00 178.44 179.04 2pnk h ARG 186 N 0.55 0.74 0.00 1.13 3.08 -1.31 0.88 114.38 119.45 2pnk h ARG 186 Ca 0.38 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 2pnk h ARG 186 Cb 0.47 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2pnk h ARG 186 CO -0.32 0.65 -0.12 0.22 -1.07 0.00 0.00 179.97 179.33 2pnk h ASP 187 N 0.66 0.00 -0.08 7.04 3.58 -0.77 -0.55 116.42 126.31 2pnk h ASP 187 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2pnk h ASP 187 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2pnk h ASP 187 CO -0.02 0.12 0.00 0.79 -2.88 0.00 0.00 179.24 177.25 2pnk n TRP 188 N -4.20 0.10 -0.27 0.28 8.01 -0.25 -4.92 117.44 116.19 2pnk n TRP 188 Ca -0.03 -0.05 0.00 0.00 -1.31 0.00 0.00 57.50 56.12 2pnk n TRP 188 Cb 0.20 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.50 2pnk n TRP 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2pnk n GLY 189 N 1.02 0.81 3.54 6.99 0.00 -0.21 -5.03 105.19 112.31 2pnk n GLY 189 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2pnk n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pnk s TYR 190 N -2.12 3.08 -1.52 1.61 2.02 0.27 -4.96 117.35 115.72 2pnk s TYR 190 Ca 0.00 0.14 -0.09 0.00 -0.37 0.00 0.00 57.07 56.75 2pnk s TYR 190 Cb 0.00 -3.34 -0.02 0.00 -0.40 0.00 0.00 41.96 38.20 2pnk s TYR 190 CO 0.00 -0.81 2.75 1.63 -1.57 0.00 0.00 175.55 177.55 2pnk n LYS 191 N 6.28 3.94 -2.34 -0.62 5.02 -1.26 -2.99 118.16 126.19 2pnk n LYS 191 Ca -0.01 -2.62 -0.40 0.00 -2.02 0.00 0.00 58.31 53.26 2pnk n LYS 191 Cb 0.48 -2.77 -0.03 0.00 -0.02 0.00 0.00 35.03 32.69 2pnk n LYS 191 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2pnk s VAL 192 N 1.18 3.20 0.59 -0.18 -7.23 -1.26 -4.47 120.40 112.22 2pnk s VAL 192 Ca 0.64 1.17 0.05 0.00 -1.81 0.00 0.00 61.98 62.02 2pnk s VAL 192 Cb 0.18 -3.73 0.07 0.00 0.56 0.00 0.00 36.38 33.46 2pnk s VAL 192 CO -0.07 0.25 0.81 0.20 -0.31 0.00 0.00 175.10 175.98 2pnk s ASN 193 N -0.80 5.01 0.27 4.85 0.01 -1.26 -4.94 114.94 118.07 2pnk s ASN 193 Ca 0.48 -0.47 0.08 0.00 -0.71 0.00 0.00 52.86 52.25 2pnk s ASN 193 Cb -0.34 -0.19 0.34 0.00 0.41 0.00 0.00 41.25 41.46 2pnk s ASN 193 CO 0.44 -1.35 1.61 0.44 -1.51 0.00 0.00 177.10 176.73 2pnk h ASP 194 N 0.03 0.10 -3.45 -1.22 3.32 -2.02 -3.43 116.42 109.76 2pnk h ASP 194 Ca -0.36 -0.06 -0.52 0.00 0.02 0.00 0.00 57.03 56.11 2pnk h ASP 194 Cb 1.28 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 2pnk h ASP 194 CO 0.43 0.67 -0.08 -1.61 -1.72 0.00 0.00 179.24 176.94 2pnk s GLU 195 N -3.70 3.79 -1.08 3.56 2.02 -1.26 -5.01 118.70 117.01 2pnk s GLU 195 Ca -0.02 0.28 -0.18 0.00 0.02 0.00 0.00 54.97 55.06 2pnk s GLU 195 Cb 0.13 -2.60 0.11 0.00 0.10 0.00 0.00 34.13 31.87 2pnk s GLU 195 CO 0.77 0.25 1.39 -0.46 0.02 0.00 0.00 175.26 177.23 2pnk s TRP 196 N -1.94 3.00 0.36 1.61 -0.11 -1.26 -4.69 118.94 115.91 2pnk s TRP 196 Ca 0.48 -1.47 0.01 0.00 1.22 0.00 0.00 56.10 56.33 2pnk s TRP 196 Cb -0.11 -4.48 0.01 0.00 -1.50 0.00 0.00 33.47 27.39 2pnk s TRP 196 CO 0.23 -1.64 0.06 0.27 -4.62 0.00 0.00 176.95 171.26 2pnk n ASN 197 N 7.25 2.84 -0.31 5.86 0.23 -1.26 -4.97 115.26 124.89 2pnk n ASN 197 Ca 0.34 -2.52 0.00 0.00 -0.53 0.00 0.00 54.58 51.86 2pnk n ASN 197 Cb 0.48 0.19 0.13 0.00 -2.08 0.00 0.00 39.78 38.50 2pnk n ASN 197 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2pnk h GLU 198 N 0.00 0.99 -0.21 -3.83 4.81 -1.99 -1.38 114.58 112.96 2pnk h GLU 198 Ca -0.29 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.93 2pnk h GLU 198 Cb 0.90 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 2pnk h GLU 198 CO 0.47 0.65 -0.06 0.78 -0.73 0.00 0.00 179.01 180.12 2pnk h GLY 199 N 1.02 0.13 1.03 1.92 0.00 -1.95 -0.79 103.07 104.43 2pnk h GLY 199 Ca 0.37 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 2pnk h GLY 199 CO -0.15 -0.09 0.44 1.76 0.00 0.00 0.00 176.54 178.49 2pnk h SER 200 N -0.02 1.10 -0.02 0.19 0.02 -1.60 -1.30 113.55 111.92 2pnk h SER 200 Ca 0.10 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2pnk h SER 200 Cb 0.18 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 2pnk h SER 200 CO -0.23 0.90 0.01 0.40 -1.14 0.00 0.00 176.83 176.78 2pnk h ILE 201 N 1.21 1.00 -0.36 3.27 2.04 -0.90 -1.88 117.51 121.88 2pnk h ILE 201 Ca 0.30 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 66.06 2pnk h ILE 201 Cb 0.08 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2pnk h ILE 201 CO -0.04 0.00 -0.15 1.56 0.00 0.00 0.00 178.15 179.52 2pnk h GLN 202 N 0.03 0.65 -0.07 2.37 4.20 -0.88 -1.87 115.11 119.53 2pnk h GLN 202 Ca 0.01 -0.22 -0.20 0.00 0.06 0.00 0.00 58.65 58.31 2pnk h GLN 202 Cb 0.00 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 2pnk h GLN 202 CO -0.01 0.77 -0.78 0.93 -0.67 0.00 0.00 178.83 179.08 2pnk h GLU 203 N 0.59 0.45 -0.48 1.46 4.39 -1.14 -0.57 114.58 119.27 2pnk h GLU 203 Ca 0.10 -0.39 -0.13 0.00 0.34 0.00 0.00 59.36 59.28 2pnk h GLU 203 Cb 0.59 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2pnk h GLU 203 CO 0.04 1.03 -0.21 0.28 -1.16 0.00 0.00 179.01 178.99 2pnk h VAL 204 N 0.30 1.27 -0.72 3.13 2.07 -1.24 -1.73 116.25 119.34 2pnk h VAL 204 Ca -0.04 -1.37 0.05 0.00 0.82 0.00 0.00 66.70 66.15 2pnk h VAL 204 Cb 1.37 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 2pnk h VAL 204 CO 0.14 0.47 0.43 0.11 0.02 0.00 0.00 177.57 178.74 2pnk h LYS 205 N 0.85 0.79 -0.70 1.57 1.57 -1.27 -1.86 116.57 117.52 2pnk h LYS 205 Ca 0.11 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2pnk h LYS 205 Cb 0.79 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 2pnk h LYS 205 CO 0.07 0.52 0.35 -0.09 -0.57 0.00 0.00 179.45 179.72 2pnk h ARG 206 N 0.81 0.98 -0.32 3.15 2.43 -0.84 0.19 114.38 120.78 2pnk h ARG 206 Ca 0.31 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2pnk h ARG 206 Cb 0.11 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2pnk h ARG 206 CO -0.15 0.75 0.15 0.35 -1.51 0.00 0.00 179.97 179.56 2pnk h PHE 207 N 0.98 0.47 -0.02 2.20 3.57 -1.00 -0.30 116.94 122.84 2pnk h PHE 207 Ca 0.24 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 2pnk h PHE 207 Cb 0.08 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 2pnk h PHE 207 CO 0.01 0.41 0.01 -0.07 -2.23 0.00 0.00 178.31 176.45 2pnk h LEU 208 N 0.39 0.03 -1.18 0.59 3.38 -0.86 -2.32 115.31 115.34 2pnk h LEU 208 Ca 0.11 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2pnk h LEU 208 Cb 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2pnk h LEU 208 CO -0.01 0.09 -0.15 0.71 0.09 0.00 0.00 178.44 179.16 2pnk h THR 209 N -0.03 1.22 -0.54 0.22 1.35 -0.52 0.06 112.91 114.66 2pnk h THR 209 Ca 0.01 -0.98 -0.11 0.00 -0.55 0.00 0.00 66.41 64.78 2pnk h THR 209 Cb 0.06 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 2pnk h THR 209 CO -0.00 0.31 -0.08 0.44 -0.25 0.00 0.00 175.52 175.94 2pnk h ASP 210 N 0.36 1.01 0.62 5.36 3.32 -0.96 -1.80 116.42 124.33 2pnk h ASP 210 Ca 0.07 -0.34 -0.15 0.00 0.02 0.00 0.00 57.03 56.63 2pnk h ASP 210 Cb 0.48 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2pnk h ASP 210 CO 0.03 1.11 -0.70 -0.50 -1.72 0.00 0.00 179.24 177.47 2pnk h TRP 211 N 0.89 0.08 -0.52 4.55 4.06 -0.85 -1.39 115.95 122.77 2pnk h TRP 211 Ca 0.14 -0.04 -0.02 0.00 2.06 0.00 0.00 58.89 61.04 2pnk h TRP 211 Cb 0.64 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.77 2pnk h TRP 211 CO 0.05 0.73 0.25 0.82 -3.56 0.00 0.00 178.44 176.73 2pnk h ILE 212 N 0.04 1.19 -0.37 1.49 2.04 -0.87 -2.88 117.51 118.15 2pnk h ILE 212 Ca -0.01 -0.54 -0.12 0.00 1.00 0.00 0.00 64.86 65.19 2pnk h ILE 212 Cb 1.23 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2pnk h ILE 212 CO 0.09 0.22 -0.25 -0.08 0.00 0.00 0.00 178.15 178.14 2pnk h GLU 213 N 0.70 0.75 0.00 2.37 4.81 -1.23 0.21 114.58 122.19 2pnk h GLU 213 Ca 0.18 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2pnk h GLU 213 Cb 0.11 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2pnk h GLU 213 CO -0.02 0.92 0.00 -2.13 -0.73 0.00 0.00 179.01 177.05 2pnk n ARG 214 N -4.10 0.29 0.00 1.92 3.00 -0.53 -5.04 116.66 112.20 2pnk n ARG 214 Ca -0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 2pnk n ARG 214 Cb 0.44 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.40 2pnk n ARG 214 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2pnk n ASP 216 N -1.10 0.00 -4.77 6.15 2.03 0.06 -5.09 116.55 113.83 2pnk n ASP 216 Ca 0.07 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.01 2pnk n ASP 216 Cb 0.06 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.44 2pnk n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2pnk s PRO 217 N 0.00 3.90 0.26 -0.67 0.04 -1.26 -4.57 135.00 132.70 2pnk s PRO 217 Ca 0.00 1.72 0.13 0.00 0.04 0.00 0.00 61.00 62.89 2pnk s PRO 217 Cb 0.00 -2.48 0.17 0.00 0.04 0.00 0.00 34.50 32.23 2pnk s PRO 217 CO 0.00 -0.42 1.49 -0.39 0.04 0.00 0.00 177.00 177.72 2pnk h VAL 218 N 2.02 1.15 0.00 -0.36 -1.51 -1.12 -3.48 116.25 112.95 2pnk h VAL 218 Ca -0.49 -2.36 0.00 0.00 -1.23 0.00 0.00 66.70 62.62 2pnk h VAL 218 Cb 1.24 2.39 0.00 0.00 -2.13 0.00 0.00 31.29 32.78 2pnk h VAL 218 CO 0.61 0.60 0.00 0.00 -1.23 0.00 0.00 177.57 177.55 2pnk n TYR 219 N -3.39 0.00 0.00 5.19 0.18 -1.26 -4.32 117.16 113.56 2pnk n TYR 219 Ca 0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.79 2pnk n TYR 219 Cb 0.72 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.68 2pnk n TYR 219 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2pnk n ALA 221 N -3.00 0.00 -3.02 -3.48 0.00 0.48 -1.73 120.51 109.75 2pnk n ALA 221 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2pnk n ALA 221 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2pnk n ALA 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pnk s VAL 222 N -1.63 0.03 -0.11 0.00 0.11 -0.40 -0.77 120.40 117.63 2pnk s VAL 222 Ca 0.00 -0.27 -0.09 0.00 -2.93 0.00 0.00 61.98 58.69 2pnk s VAL 222 Cb 0.00 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 2pnk s VAL 222 CO 0.00 -0.15 0.20 -0.44 -3.33 0.00 0.00 175.10 171.38 2pnk s SER 223 N -0.46 6.45 0.05 3.54 0.01 -1.26 -4.78 113.70 117.25 2pnk s SER 223 Ca -0.05 0.53 0.03 0.00 1.31 0.00 0.00 55.95 57.77 2pnk s SER 223 Cb -0.03 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 2pnk s SER 223 CO 0.00 0.34 -0.10 -0.76 0.41 0.00 0.00 173.24 173.13 2pnk s LEU 224 N -0.73 2.26 0.77 2.44 1.43 -1.26 -4.93 118.68 118.66 2pnk s LEU 224 Ca 0.16 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 2pnk s LEU 224 Cb -0.13 -0.31 0.06 0.00 0.03 0.00 0.00 46.19 45.84 2pnk s LEU 224 CO 0.05 -0.14 1.14 -2.16 0.23 0.00 0.00 176.35 175.47 2pnk s PRO 225 N -1.60 2.25 0.56 1.29 0.04 -1.25 -0.23 135.00 136.06 2pnk s PRO 225 Ca -0.06 0.18 0.24 0.00 0.04 0.00 0.00 61.00 61.40 2pnk s PRO 225 Cb -0.10 -1.99 1.58 0.00 0.04 0.00 0.00 34.50 34.04 2pnk s PRO 225 CO 0.01 -1.40 2.19 -1.35 0.04 0.00 0.00 177.00 176.49 2pnk h PRO 226 N -0.90 0.00 -0.10 0.56 0.11 -1.77 -1.56 132.00 128.34 2pnk h PRO 226 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pnk h PRO 226 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2pnk h PRO 226 CO 0.65 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.69 2pnk n THR 227 N -4.13 0.14 -1.70 -1.15 -2.24 -1.26 -3.90 114.28 100.04 2pnk n THR 227 Ca -0.02 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 2pnk n THR 227 Cb 0.13 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 2pnk n THR 227 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2pnk n PHE 228 N -0.21 2.67 -4.18 4.78 7.35 -0.59 -5.00 117.46 122.29 2pnk n PHE 228 Ca 0.05 -0.04 -0.18 0.00 -0.76 0.00 0.00 57.45 56.53 2pnk n PHE 228 Cb 0.10 -2.69 -0.12 0.00 0.35 0.00 0.00 39.48 37.12 2pnk n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2pnk s SER 229 N 1.87 1.68 -0.25 -2.13 0.01 -1.26 -4.69 113.70 108.93 2pnk s SER 229 Ca 0.78 -0.67 -0.17 0.00 1.31 0.00 0.00 55.95 57.20 2pnk s SER 229 Cb -0.50 -0.04 0.07 0.00 0.21 0.00 0.00 66.02 65.75 2pnk s SER 229 CO 0.35 -0.12 0.62 0.12 0.41 0.00 0.00 173.24 174.63 2pnk s PHE 230 N -1.57 -0.87 0.86 2.43 2.19 -1.26 -4.44 117.98 115.31 2pnk s PHE 230 Ca 0.01 1.85 -0.10 0.00 0.33 0.00 0.00 56.93 59.01 2pnk s PHE 230 Cb -0.08 0.44 0.11 0.00 -1.31 0.00 0.00 43.02 42.18 2pnk s PHE 230 CO 0.02 -0.43 1.12 -2.14 1.83 0.00 0.00 175.22 175.62 2pnk s PRO 231 N 1.17 1.52 -0.24 10.12 0.02 -1.26 -4.15 135.00 142.18 2pnk s PRO 231 Ca -0.07 1.35 -0.18 0.00 0.02 0.00 0.00 61.00 62.12 2pnk s PRO 231 Cb -0.05 -1.80 0.07 0.00 0.02 0.00 0.00 34.50 32.73 2pnk s PRO 231 CO -0.12 -2.21 0.61 -2.00 -0.33 0.00 0.00 177.00 172.95 2pnk s GLU 232 N -4.77 0.68 -0.84 5.54 2.12 -1.26 -5.08 118.70 115.09 2pnk s GLU 232 Ca 0.64 0.96 -0.24 0.00 0.36 0.00 0.00 54.97 56.69 2pnk s GLU 232 Cb -0.20 0.24 0.05 0.00 0.26 0.00 0.00 34.13 34.49 2pnk s GLU 232 CO 0.57 -0.11 1.28 -1.21 -0.54 0.00 0.00 175.26 175.24 2pnk s GLU 233 N 0.84 3.36 0.26 4.30 0.41 -1.26 -4.05 118.70 122.56 2pnk s GLU 233 Ca -0.04 -0.79 -0.19 0.00 -0.41 0.00 0.00 54.97 53.54 2pnk s GLU 233 Cb -0.05 -4.67 0.02 0.00 -1.78 0.00 0.00 34.13 27.65 2pnk s GLU 233 CO -0.07 -2.08 0.64 -1.54 -0.49 0.00 0.00 175.26 171.72 2pnk s SER 234 N 4.15 -0.23 0.15 -0.19 1.04 -1.26 -4.98 113.70 112.38 2pnk s SER 234 Ca 0.37 -0.65 -0.25 0.00 0.48 0.00 0.00 55.95 55.89 2pnk s SER 234 Cb -0.06 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.74 2pnk s SER 234 CO 0.03 -1.26 1.60 0.78 0.98 0.00 0.00 173.24 175.38 2pnk h ASN 235 N 2.08 -1.04 -0.18 7.02 2.35 -1.91 -1.09 115.58 122.81 2pnk h ASN 235 Ca -0.22 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2pnk h ASN 235 Cb 1.25 0.46 -0.01 0.00 0.05 0.00 0.00 38.32 40.07 2pnk h ASN 235 CO 0.28 -0.34 0.12 -0.09 -1.65 0.00 0.00 177.43 175.74 2pnk h ARG 236 N -0.34 0.24 -0.70 0.81 2.43 -1.91 -1.61 114.38 113.31 2pnk h ARG 236 Ca 0.12 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2pnk h ARG 236 Cb 0.54 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 2pnk h ARG 236 CO -0.43 0.16 0.46 0.78 -1.51 0.00 0.00 179.97 179.43 2pnk h GLY 237 N 0.24 0.97 1.42 2.80 0.00 -1.68 -0.62 103.07 106.20 2pnk h GLY 237 Ca 0.07 -0.36 -0.27 0.00 0.00 0.00 0.00 47.33 46.76 2pnk h GLY 237 CO -0.01 0.34 -1.16 3.21 0.00 0.00 0.00 176.54 178.92 2pnk h ARG 238 N 0.92 0.48 -0.63 4.80 3.08 -1.02 -2.58 114.38 119.44 2pnk h ARG 238 Ca 0.26 -0.64 -0.09 0.00 0.07 0.00 0.00 59.98 59.59 2pnk h ARG 238 Cb -0.08 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2pnk h ARG 238 CO -0.06 1.26 0.05 0.82 -1.07 0.00 0.00 179.97 180.98 2pnk h ILE 239 N 0.21 1.26 0.03 2.04 2.04 -1.11 0.12 117.51 122.11 2pnk h ILE 239 Ca -0.15 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.62 2pnk h ILE 239 Cb 1.84 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 2pnk h ILE 239 CO 0.21 0.40 -0.01 0.40 0.00 0.00 0.00 178.15 179.15 2pnk h ILE 240 N 0.98 1.07 -0.06 -0.67 2.04 -1.16 0.21 117.51 119.93 2pnk h ILE 240 Ca 0.18 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2pnk h ILE 240 Cb 0.50 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2pnk h ILE 240 CO 0.02 0.08 -0.01 -0.09 0.00 0.00 0.00 178.15 178.16 2pnk h ARG 241 N -0.18 0.10 0.00 2.37 2.43 -1.37 -1.11 114.38 116.62 2pnk h ARG 241 Ca -0.00 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 2pnk h ARG 241 Cb 0.17 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2pnk h ARG 241 CO 0.01 0.41 -1.11 -0.44 -1.51 0.00 0.00 179.97 177.33 2pnk h ASP 242 N -0.22 0.00 0.00 -3.80 3.32 -0.84 -3.41 116.42 111.48 2pnk h ASP 242 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2pnk h ASP 242 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2pnk h ASP 242 CO 0.00 0.44 -0.23 0.00 -1.72 0.00 0.00 179.24 177.73 2pnk h LEU 244 N 0.00 -0.21 -0.03 0.00 6.46 -0.94 -2.31 115.31 118.28 2pnk h LEU 244 Ca 0.00 -0.30 -0.00 0.00 -0.12 0.00 0.00 57.88 57.46 2pnk h LEU 244 Cb 0.23 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2pnk h LEU 244 CO 0.00 0.23 0.02 -0.07 -0.62 0.00 0.00 178.44 178.00 2pnk h LEU 245 N -0.70 0.04 -1.30 2.25 3.38 -1.44 0.22 115.31 117.77 2pnk h LEU 245 Ca -0.03 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2pnk h LEU 245 Cb 0.49 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2pnk h LEU 245 CO 0.04 0.08 0.46 -0.65 0.09 0.00 0.00 178.44 178.46 2pnk h PRO 246 N -0.00 0.93 -0.29 1.13 0.11 -1.78 0.03 132.00 132.13 2pnk h PRO 246 Ca 0.01 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 2pnk h PRO 246 Cb 0.05 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 2pnk h PRO 246 CO -0.00 0.62 -0.14 0.28 -0.21 0.00 0.00 178.00 178.55 2pnk h VAL 247 N 0.96 1.30 -0.71 3.15 2.07 -0.81 -1.67 116.25 120.54 2pnk h VAL 247 Ca 0.26 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 2pnk h VAL 247 Cb -0.10 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2pnk h VAL 247 CO -0.05 0.40 0.30 0.00 0.02 0.00 0.00 177.57 178.23 2pnk h ALA 248 N 0.75 1.20 -0.17 1.67 0.00 -0.35 -2.25 119.26 120.10 2pnk h ALA 248 Ca 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2pnk h ALA 248 Cb 0.67 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2pnk h ALA 248 CO 0.04 0.59 -0.05 1.49 0.00 0.00 0.00 179.25 181.33 2pnk h GLU 249 N 1.01 0.34 -0.69 0.00 4.81 -0.91 0.97 114.58 120.11 2pnk h GLU 249 Ca 0.24 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 2pnk h GLU 249 Cb 0.17 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.46 2pnk h GLU 249 CO -0.02 0.62 0.35 -0.22 -0.73 0.00 0.00 179.01 179.00 2pnk h LYS 250 N 0.05 0.60 -0.01 1.92 3.64 -1.15 -2.46 116.57 119.16 2pnk h LYS 250 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2pnk h LYS 250 Cb 0.49 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2pnk h LYS 250 CO 0.02 0.40 -0.26 0.72 -2.27 0.00 0.00 179.45 178.05 2pnk n HIS 251 N -4.85 0.00 -3.55 1.91 8.25 -0.86 -4.98 115.22 111.14 2pnk n HIS 251 Ca 0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.36 2pnk n HIS 251 Cb 0.25 -0.08 0.05 0.00 1.12 0.00 0.00 29.99 31.33 2pnk n HIS 251 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2pnk n ASN 252 N -0.40 -2.85 -4.22 0.41 5.15 0.16 -5.00 115.26 108.50 2pnk n ASN 252 Ca 0.12 -0.78 -0.34 0.00 -0.60 0.00 0.00 54.58 52.99 2pnk n ASN 252 Cb 0.38 -4.45 -0.15 0.00 -0.53 0.00 0.00 39.78 35.03 2pnk n ASN 252 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2pnk s ILE 253 N -3.52 2.59 0.79 -1.44 1.01 -0.17 -4.89 121.20 115.57 2pnk s ILE 253 Ca 0.14 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.89 2pnk s ILE 253 Cb -0.03 -2.11 0.07 0.00 0.01 0.00 0.00 42.46 40.40 2pnk s ILE 253 CO 0.78 0.50 1.18 -2.84 0.00 0.00 0.00 174.94 174.56 2pnk s PRO 254 N 1.14 1.80 -0.29 2.79 0.02 -1.26 -4.63 135.00 134.57 2pnk s PRO 254 Ca 0.01 1.63 -0.06 0.00 0.02 0.00 0.00 61.00 62.60 2pnk s PRO 254 Cb -0.14 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.58 2pnk s PRO 254 CO -0.05 -2.06 0.07 0.12 -0.33 0.00 0.00 177.00 174.74 2pnk s PHE 255 N -2.29 3.13 0.35 6.54 5.36 -0.33 -4.55 117.98 126.20 2pnk s PHE 255 Ca 0.71 -0.97 0.03 0.00 -0.96 0.00 0.00 56.93 55.74 2pnk s PHE 255 Cb -0.26 -2.24 -0.02 0.00 -0.34 0.00 0.00 43.02 40.17 2pnk s PHE 255 CO 0.50 -0.57 0.52 0.00 -1.46 0.00 0.00 175.22 174.22 2pnk s ALA 256 N 1.50 3.92 -0.30 11.12 0.00 -1.26 -1.20 121.76 135.54 2pnk s ALA 256 Ca 0.03 -1.18 -0.23 0.00 0.00 0.00 0.00 51.96 50.59 2pnk s ALA 256 Cb -0.17 -1.92 0.19 0.00 0.00 0.00 0.00 23.12 21.22 2pnk s ALA 256 CO 0.02 -0.08 1.35 0.42 0.00 0.00 0.00 175.76 177.47 2pnk s ILE 259 N -2.28 0.00 0.00 0.00 1.01 -0.44 -1.28 121.20 118.21 2pnk s ILE 259 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2pnk s ILE 259 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2pnk s ILE 259 CO 0.34 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.89 2pnk n GLY 260 N 2.07 1.06 3.69 6.18 0.00 0.68 -0.72 105.19 118.17 2pnk n GLY 260 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2pnk n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnk s VAL 261 N -1.81 4.94 -0.46 1.61 0.11 -0.85 -1.99 120.40 121.95 2pnk s VAL 261 Ca 0.00 1.64 -0.18 0.00 -2.93 0.00 0.00 61.98 60.51 2pnk s VAL 261 Cb 0.00 -4.13 0.04 0.00 -1.53 0.00 0.00 36.38 30.76 2pnk s VAL 261 CO 0.00 0.13 0.50 -0.54 -3.33 0.00 0.00 175.10 171.87 2pnk s LYS 262 N 1.44 3.09 0.24 1.54 1.02 0.11 -3.86 119.74 123.31 2pnk s LYS 262 Ca 0.40 -0.90 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 2pnk s LYS 262 Cb -0.18 -4.04 -0.09 0.00 -0.52 0.00 0.00 37.83 33.00 2pnk s LYS 262 CO 0.17 -1.02 1.12 0.15 -0.92 0.00 0.00 175.35 174.85 2pnk s LYS 263 N 2.25 4.60 -1.27 1.68 -0.14 -1.26 -0.37 119.74 125.23 2pnk s LYS 263 Ca 0.12 1.80 -0.01 0.00 -1.36 0.00 0.00 55.97 56.52 2pnk s LYS 263 Cb -0.19 -3.22 0.00 0.00 -1.68 0.00 0.00 37.83 32.75 2pnk s LYS 263 CO 0.12 0.12 0.92 0.54 -0.76 0.00 0.00 175.35 176.29 2pnk n ARG 264 N 1.71 -6.13 0.15 1.68 1.74 -1.25 -4.89 116.66 109.66 2pnk n ARG 264 Ca 0.01 0.76 0.02 0.00 -0.77 0.00 0.00 57.85 57.86 2pnk n ARG 264 Cb 0.45 -5.62 0.19 0.00 -1.02 0.00 0.00 32.46 26.45 2pnk n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 2pnk h VAL 265 N -1.97 1.15 -3.02 1.55 -1.51 -1.31 -3.34 116.25 107.80 2pnk h VAL 265 Ca -0.59 -2.04 -0.62 0.00 -1.23 0.00 0.00 66.70 62.22 2pnk h VAL 265 Cb 1.35 2.18 -0.41 0.00 -2.13 0.00 0.00 31.29 32.27 2pnk h VAL 265 CO 0.53 0.53 -0.63 -2.28 -1.23 0.00 0.00 177.57 174.49 2pnk s HIS 266 N -3.41 3.17 0.31 5.19 5.65 -0.70 -5.01 115.29 120.50 2pnk s HIS 266 Ca 0.00 -3.17 0.08 0.00 0.25 0.00 0.00 55.06 52.23 2pnk s HIS 266 Cb 0.11 -2.47 0.87 0.00 -1.18 0.00 0.00 32.58 29.91 2pnk s HIS 266 CO 0.73 -0.61 1.71 -1.35 -0.65 0.00 0.00 174.74 174.57 2pnk h PRO 267 N 5.58 0.46 0.00 2.88 0.11 -1.83 -1.95 132.00 137.25 2pnk h PRO 267 Ca 0.13 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 2pnk h PRO 267 Cb 0.79 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 2pnk h PRO 267 CO 0.66 0.30 -0.01 0.00 -0.21 0.00 0.00 178.00 178.75 2pnk h ALA 268 N 1.75 1.04 0.00 -0.75 0.00 -1.95 -1.48 119.26 117.86 2pnk h ALA 268 Ca 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2pnk h ALA 268 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2pnk h ALA 268 CO -0.52 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.02 2pnk n LEU 269 N -3.15 0.00 0.00 0.00 4.77 -0.73 -4.96 117.00 112.92 2pnk n LEU 269 Ca -0.02 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 2pnk n LEU 269 Cb 0.17 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2pnk n LEU 269 CO 0.24 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2pnk n GLY 270 N 1.38 3.07 0.34 -0.72 0.00 -0.56 -2.14 105.19 106.56 2pnk n GLY 270 Ca 0.07 -0.19 0.18 0.00 0.00 0.00 0.00 46.02 46.08 2pnk n GLY 270 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pnk h ASP 271 N 0.00 0.00 -0.14 1.61 3.32 -1.94 0.17 116.42 119.44 2pnk h ASP 271 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pnk h ASP 271 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pnk h ASP 271 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2pnk n ALA 272 N -2.29 2.50 1.19 3.45 0.00 -0.91 -4.20 120.51 120.25 2pnk n ALA 272 Ca 0.02 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.28 2pnk n ALA 272 Cb 0.34 -1.06 0.25 0.00 0.00 0.00 0.00 19.45 18.98 2pnk n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnk n GLY 273 N 0.83 0.20 3.88 0.00 0.00 0.60 -4.91 105.19 105.79 2pnk n GLY 273 Ca 0.09 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 2pnk n GLY 273 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pnk s ASP 274 N -2.20 6.59 0.12 1.61 1.01 -1.26 -1.11 116.67 121.44 2pnk s ASP 274 Ca 0.28 0.87 0.01 0.00 0.71 0.00 0.00 52.55 54.42 2pnk s ASP 274 Cb 0.20 -2.21 -0.00 0.00 1.01 0.00 0.00 42.92 41.92 2pnk s ASP 274 CO 0.41 -0.08 0.02 0.33 0.21 0.00 0.00 175.17 176.07 2pnk n PHE 275 N -0.21 0.16 -4.05 4.23 7.35 0.50 -4.90 117.46 120.54 2pnk n PHE 275 Ca 0.00 -0.69 -0.10 0.00 -0.76 0.00 0.00 57.45 55.90 2pnk n PHE 275 Cb 0.52 -0.04 -0.11 0.00 0.35 0.00 0.00 39.48 40.21 2pnk n PHE 275 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2pnk s VAL 276 N -1.75 0.36 0.07 -2.13 0.11 -1.26 -0.71 120.40 115.08 2pnk s VAL 276 Ca 0.03 -1.24 -0.16 0.00 -2.93 0.00 0.00 61.98 57.69 2pnk s VAL 276 Cb 0.00 -0.76 0.03 0.00 -1.53 0.00 0.00 36.38 34.12 2pnk s VAL 276 CO 0.02 -0.58 0.36 -0.83 -3.33 0.00 0.00 175.10 170.75 2pnk s GLY 277 N -1.92 -0.20 0.19 6.54 0.00 -0.84 -4.81 107.32 106.28 2pnk s GLY 277 Ca -0.07 0.07 -0.30 0.00 0.00 0.00 0.00 44.72 44.42 2pnk s GLY 277 CO -0.02 -0.17 1.30 1.25 0.00 0.00 0.00 173.10 175.46 2pnk s LYS 278 N -2.90 4.39 0.19 2.90 2.20 -1.26 -4.47 119.74 120.79 2pnk s LYS 278 Ca -0.03 2.04 0.01 0.00 -0.36 0.00 0.00 55.97 57.63 2pnk s LYS 278 Cb 0.00 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 2pnk s LYS 278 CO -0.05 -0.25 0.36 0.00 -0.36 0.00 0.00 175.35 175.05 2pnk s ALA 279 N 0.13 3.87 1.00 3.13 0.00 -1.26 -4.78 121.76 123.85 2pnk s ALA 279 Ca 0.57 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2pnk s ALA 279 Cb -0.36 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 20.84 2pnk s ALA 279 CO 0.38 0.44 0.00 0.45 0.00 0.00 0.00 175.76 177.03 2pnk n SER 280 N -0.70 0.00 0.00 0.00 2.88 -1.25 -4.96 113.62 109.58 2pnk n SER 280 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2pnk n SER 280 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2pnk n SER 280 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2pnk n ASP 282 N 0.00 0.00 -0.19 -3.46 9.92 -1.26 -4.72 116.55 116.84 2pnk n ASP 282 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 2pnk n ASP 282 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 2pnk n ASP 282 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2pnk h GLY 283 N 0.00 0.96 0.84 0.44 0.00 -1.84 0.39 103.07 103.86 2pnk h GLY 283 Ca 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 2pnk h GLY 283 CO 0.00 0.59 0.01 -2.08 0.00 0.00 0.00 176.54 175.06 2pnk h VAL 284 N 0.78 1.25 -0.32 4.60 2.07 -1.88 -0.54 116.25 122.20 2pnk h VAL 284 Ca 0.16 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.87 2pnk h VAL 284 Cb 0.40 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 2pnk h VAL 284 CO 0.01 0.27 -0.04 -0.08 0.02 0.00 0.00 177.57 177.75 2pnk h GLU 285 N 0.19 0.04 -0.38 1.57 4.81 -1.93 -0.87 114.58 118.01 2pnk h GLU 285 Ca 0.07 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2pnk h GLU 285 Cb 0.39 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2pnk h GLU 285 CO 0.01 0.03 0.23 1.25 -0.73 0.00 0.00 179.01 179.80 2pnk h HIS 286 N 0.05 0.43 -0.44 0.92 2.76 -0.72 -1.07 115.15 117.07 2pnk h HIS 286 Ca 0.16 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.37 2pnk h HIS 286 Cb 0.23 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 2pnk h HIS 286 CO -0.27 0.26 0.25 -0.07 -1.30 0.00 0.00 177.93 176.80 2pnk h LEU 287 N 0.47 0.39 -0.48 0.26 3.38 -0.62 -0.67 115.31 118.03 2pnk h LEU 287 Ca 0.15 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 2pnk h LEU 287 Cb -0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2pnk h LEU 287 CO -0.06 0.28 -0.03 -0.07 0.09 0.00 0.00 178.44 178.65 2pnk h LEU 288 N 0.50 0.86 -0.12 1.67 3.38 -0.92 -1.62 115.31 119.06 2pnk h LEU 288 Ca 0.18 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2pnk h LEU 288 Cb 0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2pnk h LEU 288 CO -0.10 0.97 -0.02 -0.09 0.09 0.00 0.00 178.44 179.29 2pnk h ARG 289 N 0.72 0.23 -0.00 1.13 2.43 -1.00 -3.31 114.38 114.58 2pnk h ARG 289 Ca 0.13 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2pnk h ARG 289 Cb 0.55 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2pnk h ARG 289 CO 0.03 0.51 -0.31 0.39 -1.51 0.00 0.00 179.97 179.08 2pnk n GLU 290 N -4.75 0.22 -3.22 0.20 -0.58 -0.27 -4.19 120.64 108.04 2pnk n GLU 290 Ca -0.06 -0.10 -0.25 0.00 -0.42 0.00 0.00 57.16 56.33 2pnk n GLU 290 Cb 0.23 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.55 2pnk n GLU 290 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2pnk n TYR 291 N -1.30 2.02 0.53 -0.32 4.02 -0.61 -4.93 117.16 116.55 2pnk n TYR 291 Ca 0.08 -3.90 0.10 0.00 -0.01 0.00 0.00 57.90 54.17 2pnk n TYR 291 Cb 0.33 -0.46 0.41 0.00 -0.02 0.00 0.00 39.34 39.60 2pnk n TYR 291 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2pnk n PRO 292 N 0.68 0.08 -0.14 -0.72 -0.04 -1.26 -1.88 135.00 131.73 2pnk n PRO 292 Ca 0.27 0.28 0.11 0.00 -0.04 0.00 0.00 63.50 64.12 2pnk n PRO 292 Cb 0.48 -1.64 0.26 0.00 -0.04 0.00 0.00 33.50 32.56 2pnk n PRO 292 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2pnk n ASN 293 N -1.80 2.82 -4.74 3.54 3.02 -1.26 -4.89 115.26 111.95 2pnk n ASN 293 Ca 0.04 -1.90 -0.31 0.00 -0.03 0.00 0.00 54.58 52.37 2pnk n ASN 293 Cb 0.23 -0.18 -0.07 0.00 -0.61 0.00 0.00 39.78 39.14 2pnk n ASN 293 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2pnk s ASN 294 N -1.56 5.39 -0.09 6.41 -0.87 -0.79 -4.79 114.94 118.64 2pnk s ASN 294 Ca 0.36 0.00 -0.02 0.00 -1.57 0.00 0.00 52.86 51.63 2pnk s ASN 294 Cb 0.21 -1.44 -0.03 0.00 -0.02 0.00 0.00 41.25 39.97 2pnk s ASN 294 CO 0.30 0.22 -0.00 -0.54 -2.57 0.00 0.00 177.10 174.51 2pnk s LYS 295 N -2.02 3.03 -0.04 -0.60 1.02 -1.26 -4.85 119.74 115.01 2pnk s LYS 295 Ca 0.25 -0.41 0.04 0.00 0.02 0.00 0.00 55.97 55.87 2pnk s LYS 295 Cb -0.12 -2.80 -0.00 0.00 -0.52 0.00 0.00 37.83 34.38 2pnk s LYS 295 CO 0.17 0.67 -0.17 -0.06 -0.92 0.00 0.00 175.35 175.04 2pnk s PHE 296 N -0.80 1.66 -0.11 3.18 0.40 0.04 -1.18 117.98 121.16 2pnk s PHE 296 Ca 0.12 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 2pnk s PHE 296 Cb -0.11 -1.12 -0.02 0.00 0.51 0.00 0.00 43.02 42.28 2pnk s PHE 296 CO 0.02 -0.15 -0.10 -0.51 0.70 0.00 0.00 175.22 175.17 2pnk s LEU 297 N 0.02 2.91 -0.01 -0.37 1.43 -0.34 -4.24 118.68 118.07 2pnk s LEU 297 Ca -0.03 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2pnk s LEU 297 Cb -0.11 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2pnk s LEU 297 CO 0.02 0.24 -0.03 -0.69 0.23 0.00 0.00 176.35 176.12 2pnk s VAL 298 N -0.09 0.26 0.27 -1.59 1.01 -1.26 -4.11 120.40 114.89 2pnk s VAL 298 Ca -0.01 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.92 2pnk s VAL 298 Cb -0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 2pnk s VAL 298 CO 0.03 0.09 0.22 1.07 0.00 0.00 0.00 175.10 176.51 2pnk n THR 299 N 3.17 0.00 0.00 3.92 5.66 -1.26 -1.78 114.28 124.00 2pnk n THR 299 Ca -0.15 -1.96 0.00 0.00 -3.05 0.00 0.00 64.05 58.89 2pnk n THR 299 Cb 0.57 0.96 0.00 0.00 -1.55 0.00 0.00 70.33 70.31 2pnk n THR 299 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2pnk n LEU 301 N 0.00 0.00 -4.75 1.09 7.94 0.11 -1.33 117.00 120.06 2pnk n LEU 301 Ca 0.05 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.55 2pnk n LEU 301 Cb 0.49 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.39 2pnk n LEU 301 CO 0.25 0.00 0.55 -0.55 -1.11 0.00 0.00 177.39 176.53 2pnk s SER 302 N -0.92 7.37 0.36 1.96 0.15 -1.26 -4.78 113.70 116.58 2pnk s SER 302 Ca 0.00 1.64 0.05 0.00 0.70 0.00 0.00 55.95 58.34 2pnk s SER 302 Cb 0.00 -2.52 0.72 0.00 -1.71 0.00 0.00 66.02 62.50 2pnk s SER 302 CO 0.00 0.04 1.97 -0.09 1.20 0.00 0.00 173.24 176.36 2pnk h ARG 303 N 5.25 0.76 0.00 5.44 2.43 -1.96 -2.57 114.38 123.72 2pnk h ARG 303 Ca -0.44 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2pnk h ARG 303 Cb 1.21 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2pnk h ARG 303 CO 0.70 0.50 0.00 0.39 -1.51 0.00 0.00 179.97 180.05 2pnk n GLU 304 N -4.47 0.09 0.00 0.20 4.71 -1.26 -2.39 120.64 117.51 2pnk n GLU 304 Ca 0.10 0.11 0.11 0.00 -0.01 0.00 0.00 57.16 57.47 2pnk n GLU 304 Cb 0.19 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.14 2pnk n GLU 304 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2pnk n ASN 305 N -1.44 0.86 -0.12 1.62 5.03 -0.97 -4.67 115.26 115.57 2pnk n ASN 305 Ca 0.07 -0.76 -0.12 0.00 0.87 0.00 0.00 54.58 54.64 2pnk n ASN 305 Cb 0.24 0.72 -0.03 0.00 -1.02 0.00 0.00 39.78 39.69 2pnk n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2pnk h GLN 306 N 0.08 0.75 -0.28 3.52 1.08 -1.56 -1.75 115.11 116.95 2pnk h GLN 306 Ca 0.00 -0.32 -0.10 0.00 -1.45 0.00 0.00 58.65 56.78 2pnk h GLN 306 Cb 0.51 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2pnk h GLN 306 CO 0.00 0.94 -0.21 1.25 -0.95 0.00 0.00 178.83 179.85 2pnk h HIS 307 N 0.54 0.75 -0.07 2.96 2.76 -1.83 -2.70 115.15 117.56 2pnk h HIS 307 Ca 0.08 -0.21 -0.08 0.00 -2.20 0.00 0.00 60.37 57.96 2pnk h HIS 307 Cb 0.71 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 2pnk h HIS 307 CO 0.06 0.91 -0.33 1.05 -1.30 0.00 0.00 177.93 178.32 2pnk h GLU 308 N 0.37 0.13 -0.66 5.26 4.11 -1.83 -2.28 114.58 119.67 2pnk h GLU 308 Ca 0.05 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 59.44 2pnk h GLU 308 Cb 0.76 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2pnk h GLU 308 CO 0.06 0.45 0.44 1.25 0.07 0.00 0.00 179.01 181.27 2pnk h LEU 309 N 0.11 0.76 -0.35 3.06 5.85 -1.23 -0.63 115.31 122.88 2pnk h LEU 309 Ca 0.01 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2pnk h LEU 309 Cb 0.65 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2pnk h LEU 309 CO 0.05 0.55 0.20 0.58 -0.34 0.00 0.00 178.44 179.47 2pnk h VAL 310 N 0.89 1.02 -0.81 1.05 2.07 -1.12 -1.19 116.25 118.17 2pnk h VAL 310 Ca 0.24 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.63 2pnk h VAL 310 Cb -0.10 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 2pnk h VAL 310 CO -0.05 0.07 0.53 0.58 0.02 0.00 0.00 177.57 178.73 2pnk h VAL 311 N 0.41 1.20 -0.66 2.57 2.07 -1.08 -1.89 116.25 118.86 2pnk h VAL 311 Ca 0.14 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 2pnk h VAL 311 Cb 0.02 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 2pnk h VAL 311 CO -0.07 0.20 0.13 0.25 0.02 0.00 0.00 177.57 178.10 2pnk h LEU 312 N 1.09 1.02 -1.40 2.57 5.85 -0.54 -1.91 115.31 121.98 2pnk h LEU 312 Ca 0.30 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2pnk h LEU 312 Cb -0.11 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.62 2pnk h LEU 312 CO -0.07 0.99 0.38 0.00 -0.34 0.00 0.00 178.44 179.40 2pnk h ALA 313 N 1.13 1.56 0.00 1.25 0.00 -0.55 -0.37 119.26 122.28 2pnk h ALA 313 Ca 0.21 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2pnk h ALA 313 Cb 0.40 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pnk h ALA 313 CO 0.01 0.40 -0.02 0.00 0.00 0.00 0.00 179.25 179.64 2pnk h ARG 314 N 0.80 0.00 0.05 0.00 3.08 -0.60 -3.09 114.38 114.62 2pnk h ARG 314 Ca 0.21 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.02 2pnk h ARG 314 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2pnk h ARG 314 CO -0.04 0.02 -1.19 0.87 -1.07 0.00 0.00 179.97 178.55 2pnk h LYS 315 N 0.00 0.11 -3.88 0.04 1.79 -0.81 -3.46 116.57 110.35 2pnk h LYS 315 Ca -0.00 -0.18 -0.51 0.00 -2.18 0.00 0.00 60.65 57.78 2pnk h LYS 315 Cb 0.03 0.07 -0.38 0.00 -1.58 0.00 0.00 32.23 30.37 2pnk h LYS 315 CO 0.00 1.04 -0.78 -0.06 -1.08 0.00 0.00 179.45 178.57 2pnk s PHE 316 N -2.67 1.21 -0.91 -1.35 0.08 -0.85 -4.99 117.98 108.49 2pnk s PHE 316 Ca -0.02 -0.72 0.26 0.00 0.12 0.00 0.00 56.93 56.57 2pnk s PHE 316 Cb 0.09 -1.08 1.04 0.00 -0.57 0.00 0.00 43.02 42.49 2pnk s PHE 316 CO 0.84 -0.52 1.82 -1.13 -0.10 0.00 0.00 175.22 176.13 2pnk n SER 317 N 5.01 0.23 -0.44 1.36 3.41 -1.26 -1.93 113.62 120.00 2pnk n SER 317 Ca -0.10 0.53 0.07 0.00 -0.26 0.00 0.00 58.87 59.11 2pnk n SER 317 Cb 0.48 -0.59 0.24 0.00 -0.26 0.00 0.00 64.21 64.09 2pnk n SER 317 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2pnk n ASN 318 N -1.72 1.28 -3.71 4.04 6.94 -1.26 -5.03 115.26 115.79 2pnk n ASN 318 Ca 0.06 -1.84 -0.14 0.00 -0.02 0.00 0.00 54.58 52.64 2pnk n ASN 318 Cb 0.33 -0.13 0.02 0.00 -2.36 0.00 0.00 39.78 37.64 2pnk n ASN 318 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2pnk n LEU 319 N 0.14 0.00 -3.65 -4.53 7.94 -0.81 -0.78 117.00 115.30 2pnk n LEU 319 Ca 0.11 -1.60 -0.15 0.00 -1.11 0.00 0.00 56.01 53.26 2pnk n LEU 319 Cb 0.23 -0.13 -0.08 0.00 0.53 0.00 0.00 43.42 43.97 2pnk n LEU 319 CO 0.08 -0.53 0.23 0.27 -1.11 0.00 0.00 177.39 176.33 2pnk s ILE 321 N -1.39 0.02 -0.06 1.96 -4.36 -1.26 -4.93 121.20 111.17 2pnk s ILE 321 Ca 0.27 -0.16 -0.06 0.00 -0.26 0.00 0.00 60.65 60.44 2pnk s ILE 321 Cb -0.02 -0.79 0.02 0.00 1.25 0.00 0.00 42.46 42.91 2pnk s ILE 321 CO 0.17 -0.09 0.17 0.72 0.24 0.00 0.00 174.94 176.15 2pnk s PHE 322 N -0.79 -0.19 0.13 1.37 -0.71 -0.73 -2.38 117.98 114.68 2pnk s PHE 322 Ca -0.09 0.46 0.00 0.00 -1.04 0.00 0.00 56.93 56.27 2pnk s PHE 322 Cb -0.03 0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.83 2pnk s PHE 322 CO 0.05 -0.10 0.00 0.41 -1.34 0.00 0.00 175.22 174.24 2pnk n GLY 323 N 3.10 -2.33 2.93 1.99 0.00 -0.28 -4.44 105.19 106.16 2pnk n GLY 323 Ca -0.14 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 2pnk n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pnk s TRP 325 N -0.10 3.04 0.00 0.00 -0.00 -1.26 -3.16 118.94 117.46 2pnk s TRP 325 Ca 0.16 1.12 0.00 0.00 -0.00 0.00 0.00 56.10 57.38 2pnk s TRP 325 Cb -0.25 -3.46 0.00 0.00 -0.00 0.00 0.00 33.47 29.76 2pnk s TRP 325 CO -0.01 -1.50 0.00 1.87 -0.00 0.00 0.00 176.95 177.31 2pnk n TRP 326 N 5.76 0.00 -0.25 5.86 -0.00 -1.26 -3.95 117.44 123.59 2pnk n TRP 326 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.61 2pnk n TRP 326 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.75 2pnk n TRP 326 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 2pnk n PHE 327 N 0.00 0.00 -3.96 5.87 3.72 -1.26 -4.66 117.46 117.16 2pnk n PHE 327 Ca 0.00 -0.45 -0.33 0.00 -0.05 0.00 0.00 57.45 56.61 2pnk n PHE 327 Cb 0.00 -0.49 -0.00 0.00 -0.94 0.00 0.00 39.48 38.05 2pnk n PHE 327 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2pnk n ASN 329 N 2.06 -2.51 -4.01 4.37 5.15 -1.19 -5.05 115.26 114.09 2pnk n ASN 329 Ca 0.04 -1.13 -0.20 0.00 -0.60 0.00 0.00 54.58 52.70 2pnk n ASN 329 Cb 0.24 -2.57 -0.15 0.00 -0.53 0.00 0.00 39.78 36.77 2pnk n ASN 329 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2pnk s ASN 330 N -3.91 1.17 0.25 1.20 0.01 -1.26 -4.98 114.94 107.42 2pnk s ASN 330 Ca 0.26 -0.18 -0.06 0.00 -0.71 0.00 0.00 52.86 52.17 2pnk s ASN 330 Cb -0.12 -0.26 0.46 0.00 0.41 0.00 0.00 41.25 41.74 2pnk s ASN 330 CO 0.92 0.08 1.64 -0.65 -1.51 0.00 0.00 177.10 177.57 2pnk h PRO 331 N 6.24 0.11 -0.93 -0.60 0.11 -1.98 0.21 132.00 135.16 2pnk h PRO 331 Ca -0.33 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.87 2pnk h PRO 331 Cb 1.17 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 2pnk h PRO 331 CO 0.49 0.07 0.60 1.49 -0.21 0.00 0.00 178.00 180.44 2pnk h GLU 332 N 0.11 0.94 0.16 1.05 4.57 -2.00 -1.01 114.58 118.41 2pnk h GLU 332 Ca 0.42 -0.06 -0.33 0.00 -1.18 0.00 0.00 59.36 58.22 2pnk h GLU 332 Cb 0.76 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2pnk h GLU 332 CO -0.67 0.62 -1.67 0.82 -1.18 0.00 0.00 179.01 176.94 2pnk h ILE 333 N 0.97 0.93 -0.90 2.32 2.04 -1.35 -3.05 117.51 118.47 2pnk h ILE 333 Ca 0.43 -2.46 0.16 0.00 1.00 0.00 0.00 64.86 63.99 2pnk h ILE 333 Cb 0.36 2.72 -0.10 0.00 -0.74 0.00 0.00 36.82 39.07 2pnk h ILE 333 CO -0.19 0.81 0.50 0.40 0.00 0.00 0.00 178.15 179.67 2pnk h ILE 334 N -0.03 0.74 0.16 -0.67 2.04 -0.60 -2.86 117.51 116.29 2pnk h ILE 334 Ca -0.34 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 2pnk h ILE 334 Cb 1.99 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2pnk h ILE 334 CO 0.13 0.13 -0.08 -1.13 0.00 0.00 0.00 178.15 177.20 2pnk h ASN 335 N 0.69 -0.19 0.00 1.72 -1.24 -1.26 -1.75 115.58 113.55 2pnk h ASN 335 Ca 0.50 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.35 2pnk h ASN 335 Cb 0.70 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.80 2pnk h ASN 335 CO -0.36 0.05 0.00 -1.84 -1.29 0.00 0.00 177.43 173.99 2pnk n GLU 336 N -5.09 0.33 0.00 6.67 0.28 -1.08 -1.70 120.64 120.05 2pnk n GLU 336 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 2pnk n GLU 336 Cb 0.18 -1.27 0.00 0.00 1.43 0.00 0.00 31.44 31.78 2pnk n GLU 336 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2pnk n THR 338 N 0.65 0.00 0.30 3.84 -1.04 -0.66 -4.63 114.28 112.75 2pnk n THR 338 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2pnk n THR 338 Cb 0.14 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 2pnk n THR 338 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2pnk n ARG 339 N 0.00 0.30 -0.39 -2.82 1.74 -0.69 -4.57 116.66 110.23 2pnk n ARG 339 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2pnk n ARG 339 Cb 0.00 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 2pnk n ARG 339 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2pnk n ARG 341 N 0.49 -0.77 -0.11 5.56 1.74 -1.26 -5.02 116.66 117.29 2pnk n ARG 341 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2pnk n ARG 341 Cb 0.10 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 2pnk n ARG 341 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2pnk n GLU 343 N -0.39 -0.54 0.00 5.56 1.02 -1.26 -3.72 120.64 121.31 2pnk n GLU 343 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2pnk n GLU 343 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2pnk n GLU 343 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2pnk n LEU 345 N -0.11 0.00 0.00 -4.62 4.77 -1.26 -5.16 117.00 110.62 2pnk n LEU 345 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pnk n LEU 345 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2pnk n LEU 345 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2pnk n GLY 346 N 0.00 3.34 1.24 -0.72 0.00 -1.24 -1.80 105.19 106.01 2pnk n GLY 346 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.98 2pnk n GLY 346 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pnk n THR 347 N 0.00 2.01 -1.24 2.61 -2.24 -1.26 -4.75 114.28 109.42 2pnk n THR 347 Ca 0.00 -1.44 -0.22 0.00 -2.27 0.00 0.00 64.05 60.12 2pnk n THR 347 Cb 0.00 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 2pnk n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2pnk n SER 348 N 0.38 6.42 -3.79 3.42 3.41 -0.75 -4.73 113.62 117.99 2pnk n SER 348 Ca 0.22 -3.12 -0.11 0.00 -0.26 0.00 0.00 58.87 55.60 2pnk n SER 348 Cb 0.87 -1.17 -0.05 0.00 -0.26 0.00 0.00 64.21 63.59 2pnk n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2pnk s PHE 349 N -1.64 0.68 -0.36 7.33 -0.71 -1.26 -4.83 117.98 117.19 2pnk s PHE 349 Ca 0.49 -0.99 -0.04 0.00 -1.04 0.00 0.00 56.93 55.34 2pnk s PHE 349 Cb 0.33 0.01 0.07 0.00 -1.21 0.00 0.00 43.02 42.21 2pnk s PHE 349 CO -0.13 -0.99 0.12 0.42 -1.34 0.00 0.00 175.22 173.30 2pnk s ILE 350 N -3.72 3.47 0.41 -4.49 1.01 -1.00 -4.71 121.20 112.16 2pnk s ILE 350 Ca 0.27 -1.49 0.17 0.00 0.00 0.00 0.00 60.65 59.60 2pnk s ILE 350 Cb 0.01 -3.10 0.18 0.00 0.01 0.00 0.00 42.46 39.55 2pnk s ILE 350 CO 0.13 -0.34 1.95 1.55 0.00 0.00 0.00 174.94 178.23 2pnk h PRO 351 N 8.13 0.00 -2.29 2.79 0.13 -1.87 -0.73 132.00 138.17 2pnk h PRO 351 Ca -0.20 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.86 2pnk h PRO 351 Cb 1.07 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.00 2pnk h PRO 351 CO 0.63 0.23 0.06 -1.14 -0.23 0.00 0.00 178.00 177.55 2pnk s GLN 352 N -4.36 0.95 0.24 0.86 2.00 -1.26 -3.61 119.66 114.49 2pnk s GLN 352 Ca -0.03 0.13 0.00 0.00 -2.00 0.00 0.00 55.36 53.46 2pnk s GLN 352 Cb 0.15 0.45 -0.05 0.00 0.80 0.00 0.00 33.01 34.35 2pnk s GLN 352 CO 0.68 -0.29 0.11 -3.38 -0.50 0.00 0.00 175.29 171.91 2pnk s HIS 353 N -1.25 1.40 -0.16 1.67 -3.43 -1.26 -4.67 115.29 107.59 2pnk s HIS 353 Ca -0.12 -1.26 0.14 0.00 -0.80 0.00 0.00 55.06 53.03 2pnk s HIS 353 Cb -0.01 -0.77 -0.24 0.00 -1.43 0.00 0.00 32.58 30.13 2pnk s HIS 353 CO 0.08 -0.46 0.21 -1.13 -2.00 0.00 0.00 174.74 171.45 2pnk n SER 354 N -0.41 0.46 -1.99 7.38 3.41 -1.25 -4.69 113.62 116.53 2pnk n SER 354 Ca 0.01 0.11 -0.17 0.00 -0.26 0.00 0.00 58.87 58.56 2pnk n SER 354 Cb 0.66 0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 65.12 2pnk n SER 354 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2pnk n ASP 355 N -2.89 -4.74 -4.69 4.04 8.00 -0.44 -4.88 116.55 110.96 2pnk n ASP 355 Ca -0.30 0.24 -0.44 0.00 0.71 0.00 0.00 54.79 55.00 2pnk n ASP 355 Cb 1.11 -4.11 -0.04 0.00 -0.02 0.00 0.00 41.12 38.07 2pnk n ASP 355 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pnk n ALA 356 N -0.71 1.99 -0.04 2.24 0.00 -1.26 -4.30 120.51 118.43 2pnk n ALA 356 Ca -0.19 0.38 0.04 0.00 0.00 0.00 0.00 53.44 53.67 2pnk n ALA 356 Cb 0.61 -2.48 -0.17 0.00 0.00 0.00 0.00 19.45 17.41 2pnk n ALA 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pnk n ARG 357 N 4.49 0.67 -4.98 0.00 1.74 -1.26 0.30 116.66 117.61 2pnk n ARG 357 Ca 0.17 -0.14 -0.28 0.00 -0.77 0.00 0.00 57.85 56.84 2pnk n ARG 357 Cb 0.33 -1.52 -0.16 0.00 -1.02 0.00 0.00 32.46 30.09 2pnk n ARG 357 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2pnk s VAL 358 N -3.17 1.67 0.19 1.55 1.01 -1.26 -4.32 120.40 116.07 2pnk s VAL 358 Ca -0.09 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.89 2pnk s VAL 358 Cb 0.11 -1.43 0.15 0.00 0.00 0.00 0.00 36.38 35.21 2pnk s VAL 358 CO 0.88 0.47 1.63 0.25 0.00 0.00 0.00 175.10 178.33 2pnk h LEU 359 N 6.38 -0.69 -2.62 3.92 5.85 -1.03 -1.07 115.31 126.05 2pnk h LEU 359 Ca -0.30 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2pnk h LEU 359 Cb 1.19 0.39 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 2pnk h LEU 359 CO 0.47 -0.23 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.00 2pnk h GLU 360 N -0.08 0.00 -0.02 1.25 3.07 -1.93 -2.41 114.58 114.46 2pnk h GLU 360 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 2pnk h GLU 360 Cb 0.45 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.36 2pnk h GLU 360 CO -0.56 0.01 0.03 1.96 -1.40 0.00 0.00 179.01 179.06 2pnk h GLN 361 N 0.00 0.00 -0.65 2.33 4.20 -1.59 -1.04 115.11 118.36 2pnk h GLN 361 Ca -0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 2pnk h GLN 361 Cb 0.09 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 2pnk h GLN 361 CO 0.00 0.00 0.43 -0.07 -0.67 0.00 0.00 178.83 178.52 2pnk h LEU 362 N 0.00 0.48 0.70 1.46 3.38 -1.61 -0.29 115.31 119.44 2pnk h LEU 362 Ca 0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2pnk h LEU 362 Cb 0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2pnk h LEU 362 CO -0.00 0.30 -0.48 0.40 0.09 0.00 0.00 178.44 178.75 2pnk h ILE 363 N 0.54 0.00 -0.17 1.22 2.04 -1.42 -2.52 117.51 117.20 2pnk h ILE 363 Ca 0.29 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.96 2pnk h ILE 363 Cb 0.44 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2pnk h ILE 363 CO -0.09 0.00 -0.68 0.10 0.00 0.00 0.00 178.15 177.48 2pnk h TYR 364 N -1.12 0.88 -0.39 1.37 -0.00 -1.63 -0.04 116.97 116.04 2pnk h TYR 364 Ca -0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 58.73 58.28 2pnk h TYR 364 Cb 0.91 -0.15 -0.02 0.00 0.00 0.00 0.00 36.73 37.48 2pnk h TYR 364 CO -0.13 1.15 0.23 0.87 -0.00 0.00 0.00 178.16 180.28 2pnk h LYS 365 N 0.48 0.52 -0.07 0.10 1.79 -1.13 0.12 116.57 118.38 2pnk h LYS 365 Ca -0.02 -0.05 -0.24 0.00 -2.18 0.00 0.00 60.65 58.17 2pnk h LYS 365 Cb 1.27 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 31.82 2pnk h LYS 365 CO 0.13 0.39 -0.89 -1.49 -1.08 0.00 0.00 179.45 176.51 2pnk h TRP 366 N 0.51 0.95 -0.28 -1.35 4.06 -1.45 -2.23 115.95 116.16 2pnk h TRP 366 Ca 0.14 -0.47 -0.03 0.00 2.06 0.00 0.00 58.89 60.59 2pnk h TRP 366 Cb 0.00 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.02 2pnk h TRP 366 CO -0.04 1.29 0.05 1.25 -3.56 0.00 0.00 178.44 177.43 2pnk h HIS 367 N 0.43 0.48 -0.47 0.49 2.76 -0.80 0.63 115.15 118.68 2pnk h HIS 367 Ca -0.08 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 57.99 2pnk h HIS 367 Cb 1.52 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 30.33 2pnk h HIS 367 CO 0.08 0.55 0.16 0.45 -1.30 0.00 0.00 177.93 177.88 2pnk h HIS 368 N 0.28 0.74 -0.12 5.26 3.86 -0.85 -2.86 115.15 121.46 2pnk h HIS 368 Ca 0.08 -0.07 -0.20 0.00 -1.16 0.00 0.00 60.37 59.03 2pnk h HIS 368 Cb 0.33 -0.22 0.01 0.00 1.06 0.00 0.00 27.41 28.59 2pnk h HIS 368 CO 0.02 0.65 -0.70 0.77 0.86 0.00 0.00 177.93 179.53 2pnk h SER 369 N 0.62 0.82 -0.87 2.45 0.02 -1.34 -3.12 113.55 112.13 2pnk h SER 369 Ca 0.15 -0.65 0.09 0.00 -0.84 0.00 0.00 61.79 60.55 2pnk h SER 369 Cb 0.25 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 2pnk h SER 369 CO -0.01 1.34 0.52 0.11 -1.14 0.00 0.00 176.83 177.65 2pnk h LYS 370 N 0.36 0.84 -0.52 3.45 1.57 -0.91 0.38 116.57 121.74 2pnk h LYS 370 Ca -0.05 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 2pnk h LYS 370 Cb 1.34 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 2pnk h LYS 370 CO 0.14 0.56 -0.03 0.66 -0.57 0.00 0.00 179.45 180.21 2pnk h SER 371 N 0.87 0.89 -0.13 0.86 4.64 -1.47 0.18 113.55 119.39 2pnk h SER 371 Ca 0.42 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 2pnk h SER 371 Cb 0.35 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2pnk h SER 371 CO -0.24 0.96 -0.14 0.40 -0.87 0.00 0.00 176.83 176.94 2pnk h ILE 372 N 0.83 1.36 -0.28 0.95 2.04 -1.40 -2.40 117.51 118.60 2pnk h ILE 372 Ca 0.15 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 2pnk h ILE 372 Cb 0.54 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 2pnk h ILE 372 CO 0.03 0.38 -0.03 0.40 0.00 0.00 0.00 178.15 178.93 2pnk h ILE 373 N -0.08 1.19 -0.31 -0.67 2.04 -0.63 -1.99 117.51 117.06 2pnk h ILE 373 Ca 0.02 -0.76 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 2pnk h ILE 373 Cb 0.68 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2pnk h ILE 373 CO 0.03 0.25 0.03 0.00 0.00 0.00 0.00 178.15 178.47 2pnk h ALA 374 N 1.56 0.42 -0.60 1.87 0.00 -0.56 -1.74 119.26 120.21 2pnk h ALA 374 Ca 0.09 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2pnk h ALA 374 Cb 0.33 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2pnk h ALA 374 CO 0.01 0.14 0.28 0.93 0.00 0.00 0.00 179.25 180.61 2pnk h GLU 375 N 0.35 0.50 -0.27 0.00 5.08 -0.87 -1.44 114.58 117.93 2pnk h GLU 375 Ca 0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2pnk h GLU 375 Cb 0.39 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2pnk h GLU 375 CO 0.01 0.33 0.14 0.28 -1.00 0.00 0.00 179.01 178.77 2pnk h VAL 376 N 0.52 1.14 -0.65 3.13 2.07 -1.19 -2.43 116.25 118.83 2pnk h VAL 376 Ca 0.28 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2pnk h VAL 376 Cb 0.25 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2pnk h VAL 376 CO -0.22 0.14 0.38 -0.07 0.02 0.00 0.00 177.57 177.81 2pnk h LEU 377 N 0.31 0.80 -0.50 2.57 3.38 -1.04 -2.02 115.31 118.82 2pnk h LEU 377 Ca 0.09 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2pnk h LEU 377 Cb 0.09 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 2pnk h LEU 377 CO -0.01 0.64 0.20 0.40 0.09 0.00 0.00 178.44 179.77 2pnk h ILE 378 N 0.89 0.88 -0.83 1.22 2.04 -1.15 0.11 117.51 120.67 2pnk h ILE 378 Ca 0.23 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 2pnk h ILE 378 Cb 0.01 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 2pnk h ILE 378 CO -0.04 0.07 0.52 0.44 0.00 0.00 0.00 178.15 179.14 2pnk h ASP 379 N 0.40 0.99 -0.04 1.72 5.19 -1.03 0.22 116.42 123.87 2pnk h ASP 379 Ca 0.23 -0.05 -0.20 0.00 -0.62 0.00 0.00 57.03 56.39 2pnk h ASP 379 Cb 0.21 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 39.49 2pnk h ASP 379 CO -0.21 0.75 -0.77 0.11 -3.12 0.00 0.00 179.24 176.00 2pnk h LYS 380 N 1.14 0.59 -0.40 3.56 6.56 -0.92 -1.11 116.57 125.98 2pnk h LYS 380 Ca 0.30 -0.58 -0.00 0.00 -1.06 0.00 0.00 60.65 59.31 2pnk h LYS 380 Cb -0.07 0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 2pnk h LYS 380 CO -0.06 1.20 0.24 1.88 -2.06 0.00 0.00 179.45 180.65 2pnk h TYR 381 N 0.21 0.52 -0.98 -1.35 0.05 -0.72 -2.53 116.97 112.18 2pnk h TYR 381 Ca -0.08 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.73 2pnk h TYR 381 Cb 1.44 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 38.95 2pnk h TYR 381 CO 0.12 0.37 0.64 0.22 -1.05 0.00 0.00 178.16 178.45 2pnk h ASP 382 N 0.53 1.07 -0.80 3.88 3.58 -0.48 0.11 116.42 124.30 2pnk h ASP 382 Ca 0.14 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 2pnk h ASP 382 Cb -0.01 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.76 2pnk h ASP 382 CO -0.03 0.73 0.39 0.44 -2.88 0.00 0.00 179.24 177.90 2pnk h ASP 383 N 1.24 1.05 0.82 2.28 3.32 -0.92 0.33 116.42 124.53 2pnk h ASP 383 Ca 0.39 -0.13 -0.20 0.00 0.02 0.00 0.00 57.03 57.11 2pnk h ASP 383 Cb 0.00 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2pnk h ASP 383 CO -0.12 0.88 -0.92 0.16 -1.72 0.00 0.00 179.24 177.52 2pnk h ILE 384 N 1.14 1.61 -0.62 0.35 3.07 -1.02 -2.70 117.51 119.34 2pnk h ILE 384 Ca 0.28 -3.00 -0.05 0.00 1.55 0.00 0.00 64.86 63.64 2pnk h ILE 384 Cb 0.11 2.65 -0.03 0.00 -0.27 0.00 0.00 36.82 39.28 2pnk h ILE 384 CO -0.04 0.86 0.18 -0.07 -1.05 0.00 0.00 178.15 178.03 2pnk h LEU 385 N 0.02 0.91 -1.82 0.16 3.38 -0.51 -1.35 115.31 116.11 2pnk h LEU 385 Ca -0.02 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.82 2pnk h LEU 385 Cb 1.60 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 2pnk h LEU 385 CO 0.13 0.89 0.32 1.56 0.09 0.00 0.00 178.44 181.42 2pnk h GLN 386 N 0.89 0.20 -0.08 1.13 4.20 -0.89 -0.54 115.11 120.02 2pnk h GLN 386 Ca 0.20 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2pnk h GLN 386 Cb 0.31 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2pnk h GLN 386 CO -0.00 0.13 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 2pnk n ALA 387 N -2.56 2.57 0.00 3.87 0.00 -0.70 -4.90 120.51 118.79 2pnk n ALA 387 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2pnk n ALA 387 Cb 0.39 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2pnk n ALA 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnk n GLY 388 N 0.97 0.41 3.77 0.00 0.00 -0.21 -5.07 105.19 105.07 2pnk n GLY 388 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2pnk n GLY 388 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2pnk s TRP 389 N -2.00 3.07 -0.27 1.61 -0.11 -0.59 -4.98 118.94 115.67 2pnk s TRP 389 Ca 0.00 1.57 -0.07 0.00 1.22 0.00 0.00 56.10 58.82 2pnk s TRP 389 Cb 0.00 -3.35 -0.01 0.00 -1.50 0.00 0.00 33.47 28.62 2pnk s TRP 389 CO 0.00 -1.24 0.06 -1.21 -4.62 0.00 0.00 176.95 169.94 2pnk s GLU 390 N -2.40 3.32 -0.06 5.86 2.02 -1.26 -4.14 118.70 122.04 2pnk s GLU 390 Ca 0.58 -0.70 -0.13 0.00 0.02 0.00 0.00 54.97 54.75 2pnk s GLU 390 Cb -0.29 -3.31 -0.05 0.00 0.10 0.00 0.00 34.13 30.58 2pnk s GLU 390 CO 0.36 -0.32 0.33 0.08 0.02 0.00 0.00 175.26 175.72 2pnk s VAL 391 N 1.54 5.20 0.20 2.63 1.01 -1.26 -4.97 120.40 124.74 2pnk s VAL 391 Ca 0.04 0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.73 2pnk s VAL 391 Cb -0.16 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2pnk s VAL 391 CO 0.02 0.55 0.10 0.42 0.00 0.00 0.00 175.10 176.19 2pnk s THR 392 N -0.77 4.17 0.42 3.92 -4.23 -1.26 -2.89 115.64 115.00 2pnk s THR 392 Ca 0.20 -1.34 0.09 0.00 -1.18 0.00 0.00 61.69 59.47 2pnk s THR 392 Cb -0.15 -3.16 0.24 0.00 1.34 0.00 0.00 72.50 70.77 2pnk s THR 392 CO 0.09 -0.20 2.04 -0.08 -0.54 0.00 0.00 174.62 175.93 2pnk h GLU 393 N 2.20 0.38 -0.04 3.99 4.81 -1.98 -1.58 114.58 122.36 2pnk h GLU 393 Ca -0.47 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 58.58 2pnk h GLU 393 Cb 1.22 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2pnk h GLU 393 CO 0.61 0.31 -0.62 0.93 -0.73 0.00 0.00 179.01 179.50 2pnk h GLU 394 N 0.38 0.15 -0.22 1.92 4.39 -1.99 -1.32 114.58 117.89 2pnk h GLU 394 Ca 0.10 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 2pnk h GLU 394 Cb 0.06 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2pnk h GLU 394 CO -0.01 0.73 -0.47 0.93 -1.16 0.00 0.00 179.01 179.02 2pnk h GLU 395 N 0.11 0.59 0.00 2.33 5.08 -1.73 -1.67 114.58 119.30 2pnk h GLU 395 Ca -0.01 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2pnk h GLU 395 Cb 1.13 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2pnk h GLU 395 CO 0.09 0.93 -0.00 0.82 -1.00 0.00 0.00 179.01 179.85 2pnk h ILE 396 N 0.47 1.10 -0.89 3.13 2.04 -1.05 -0.66 117.51 121.65 2pnk h ILE 396 Ca 0.03 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.65 2pnk h ILE 396 Cb 1.00 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.34 2pnk h ILE 396 CO 0.09 0.08 0.58 0.11 0.00 0.00 0.00 178.15 179.01 2pnk h LYS 397 N -0.14 0.92 -0.00 2.37 1.57 -1.19 0.10 116.57 120.21 2pnk h LYS 397 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2pnk h LYS 397 Cb 0.14 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2pnk h LYS 397 CO 0.00 0.61 0.00 -0.09 -0.57 0.00 0.00 179.45 179.40 2pnk h ARG 398 N 0.95 0.00 -0.69 3.15 2.43 -1.09 -0.31 114.38 118.82 2pnk h ARG 398 Ca 0.40 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.60 2pnk h ARG 398 Cb 0.30 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 2pnk h ARG 398 CO -0.16 0.29 0.43 -0.44 -1.51 0.00 0.00 179.97 178.58 2pnk h ASP 399 N -0.29 0.69 -0.52 -3.80 3.32 -0.66 -1.31 116.42 113.85 2pnk h ASP 399 Ca 0.00 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 2pnk h ASP 399 Cb 0.29 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2pnk h ASP 399 CO 0.00 0.47 -0.01 0.58 -1.72 0.00 0.00 179.24 178.55 2pnk h VAL 400 N 0.82 1.26 -0.78 -1.35 2.07 -0.75 -1.88 116.25 115.65 2pnk h VAL 400 Ca 0.29 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.74 2pnk h VAL 400 Cb 0.06 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2pnk h VAL 400 CO -0.13 0.39 0.48 0.00 0.02 0.00 0.00 177.57 178.34 2pnk h ALA 401 N 0.94 1.05 0.03 1.67 0.00 -0.73 -1.49 119.26 120.74 2pnk h ALA 401 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pnk h ALA 401 Cb 0.55 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2pnk h ALA 401 CO 0.03 0.25 -0.03 -0.44 0.00 0.00 0.00 179.25 179.05 2pnk h ASP 402 N 0.92 -0.09 -0.45 0.00 3.32 -0.89 0.53 116.42 119.76 2pnk h ASP 402 Ca 0.33 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.28 2pnk h ASP 402 Cb 0.09 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2pnk h ASP 402 CO -0.14 -0.05 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.14 2pnk h LEU 403 N -0.08 0.91 -0.39 1.55 3.38 -1.05 -0.61 115.31 119.03 2pnk h LEU 403 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2pnk h LEU 403 Cb 0.07 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2pnk h LEU 403 CO -0.01 1.04 -0.53 0.49 0.09 0.00 0.00 178.44 179.52 2pnk n PHE 404 N -4.15 0.00 0.15 1.13 3.72 -0.59 -4.21 117.46 113.51 2pnk n PHE 404 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2pnk n PHE 404 Cb 0.39 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 2pnk n PHE 404 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2pnk n SER 405 N -0.89 -2.25 0.05 4.37 2.88 -0.58 -1.04 113.62 116.15 2pnk n SER 405 Ca 0.08 0.55 -0.08 0.00 -1.33 0.00 0.00 58.87 58.09 2pnk n SER 405 Cb 0.37 2.25 0.07 0.00 -0.75 0.00 0.00 64.21 66.15 2pnk n SER 405 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2pnk h ARG 406 N 0.00 0.38 -0.64 -1.46 3.08 -0.89 -2.88 114.38 111.98 2pnk h ARG 406 Ca 0.00 -0.28 0.09 0.00 0.07 0.00 0.00 59.98 59.86 2pnk h ARG 406 Cb 0.00 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 2pnk h ARG 406 CO 0.00 0.90 0.26 -0.91 -1.07 0.00 0.00 179.97 179.15 2pnk h ASN 407 N 0.28 0.29 0.62 7.04 2.35 -1.32 0.11 115.58 124.95 2pnk h ASN 407 Ca -0.01 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2pnk h ASN 407 Cb 1.19 0.04 0.01 0.00 0.05 0.00 0.00 38.32 39.60 2pnk h ASN 407 CO 0.11 0.17 -0.30 0.15 -1.65 0.00 0.00 177.43 175.91 2pnk h PHE 408 N 0.46 -0.78 -0.74 1.19 3.57 -1.75 -1.50 116.94 117.39 2pnk h PHE 408 Ca 0.32 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.77 2pnk h PHE 408 Cb 0.38 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 2pnk h PHE 408 CO -0.15 -0.47 0.34 -1.49 -2.23 0.00 0.00 178.31 174.31 2pnk h TRP 409 N -0.89 1.08 -0.46 0.41 4.06 -1.31 -0.02 115.95 118.82 2pnk h TRP 409 Ca -0.09 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 60.80 2pnk h TRP 409 Cb 0.66 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.47 2pnk h TRP 409 CO -0.02 0.80 0.24 -0.09 -3.56 0.00 0.00 178.44 175.80 2pnk h ARG 410 N 1.06 0.65 -0.28 0.49 2.43 -0.82 -1.28 114.38 116.63 2pnk h ARG 410 Ca 0.25 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 2pnk h ARG 410 Cb 0.14 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2pnk h ARG 410 CO -0.03 0.53 0.02 0.35 -1.51 0.00 0.00 179.97 179.33 2pnk h PHE 411 N 0.60 0.53 -0.00 2.20 3.57 -0.32 -2.87 116.94 120.64 2pnk h PHE 411 Ca 0.16 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2pnk h PHE 411 Cb 0.08 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2pnk h PHE 411 CO -0.02 0.61 -0.01 1.33 -2.23 0.00 0.00 178.31 177.99 2pnk n VAL 412 N -4.62 0.00 -3.13 1.41 0.24 -0.11 -4.90 118.33 107.22 2pnk n VAL 412 Ca -0.03 -0.01 -0.14 0.00 -2.04 0.00 0.00 64.34 62.12 2pnk n VAL 412 Cb 0.23 -0.45 0.05 0.00 -1.47 0.00 0.00 33.84 32.20 2pnk n VAL 412 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pnk n GLY 413 N 1.25 0.02 3.31 7.63 0.00 -0.51 -4.85 105.19 112.06 2pnk n GLY 413 Ca 0.15 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 2pnk n GLY 413 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pnk s ARG 414 N -5.65 1.76 0.15 1.61 0.52 -1.05 -5.07 118.95 111.22 2pnk s ARG 414 Ca 0.30 -2.03 0.03 0.00 -0.52 0.00 0.00 55.73 53.51 2pnk s ARG 414 Cb -0.13 0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.49 2pnk s ARG 414 CO 0.45 -0.62 0.24 -0.80 0.02 0.00 0.00 175.30 174.59 2pnk s ASN 415 N -3.40 6.12 1.03 0.23 0.01 -1.26 -4.51 114.94 113.16 2pnk s ASN 415 Ca 0.38 0.10 -0.17 0.00 -0.71 0.00 0.00 52.86 52.46 2pnk s ASN 415 Cb 0.03 -1.79 0.24 0.00 0.41 0.00 0.00 41.25 40.13 2pnk s ASN 415 CO 0.25 0.06 1.33 1.51 -1.51 0.00 0.00 177.10 178.74 2pnk s ASP 416 N -3.15 2.54 0.24 -1.22 1.47 -1.26 -4.77 116.67 110.53 2pnk s ASP 416 Ca 0.34 0.19 -0.07 0.00 1.18 0.00 0.00 52.55 54.19 2pnk s ASP 416 Cb -0.11 -0.16 0.24 0.00 -0.34 0.00 0.00 42.92 42.55 2pnk s ASP 416 CO 0.27 -3.09 1.92 -0.74 0.68 0.00 0.00 175.17 174.21 2pnk h HIS 417 N -1.89 1.21 -0.18 2.11 -0.00 -1.90 -0.72 115.15 113.79 2pnk h HIS 417 Ca -0.44 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 59.90 2pnk h HIS 417 Cb 1.22 -0.41 -0.00 0.00 -0.00 0.00 0.00 27.41 28.22 2pnk h HIS 417 CO -1.63 0.77 -0.12 0.28 -0.00 0.00 0.00 177.93 177.23 2pnk h VAL 418 N 1.30 1.32 -0.01 5.26 2.07 -1.93 -2.24 116.25 122.02 2pnk h VAL 418 Ca 0.35 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 2pnk h VAL 418 Cb -0.14 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2pnk h VAL 418 CO -0.07 0.36 -0.30 0.74 0.02 0.00 0.00 177.57 178.32 2pnk h THR 419 N 0.06 1.22 -0.38 2.57 2.02 -1.91 -2.10 112.91 114.39 2pnk h THR 419 Ca 0.04 -1.04 -0.09 0.00 0.77 0.00 0.00 66.41 66.09 2pnk h THR 419 Cb 0.62 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2pnk h THR 419 CO 0.03 0.30 -0.10 0.28 0.37 0.00 0.00 175.52 176.40 2pnk h SER 420 N 0.01 0.75 -0.08 4.18 0.02 -1.09 0.25 113.55 117.58 2pnk h SER 420 Ca -0.00 -0.37 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 2pnk h SER 420 Cb 0.54 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2pnk h SER 420 CO 0.04 0.94 -0.04 0.58 -1.14 0.00 0.00 176.83 177.21 2pnk h VAL 421 N 0.54 1.15 0.02 2.27 2.07 -1.15 -3.26 116.25 117.89 2pnk h VAL 421 Ca 0.10 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.90 2pnk h VAL 421 Cb 0.62 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2pnk h VAL 421 CO 0.04 0.20 -0.56 0.50 0.02 0.00 0.00 177.57 177.77 2pnk h LYS 422 N 0.29 0.05 0.00 1.57 1.63 -1.24 -3.51 116.57 115.36 2pnk h LYS 422 Ca 0.07 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2pnk h LYS 422 Cb 0.26 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2pnk h LYS 422 CO 0.01 1.04 0.00 1.33 -3.45 0.00 0.00 179.45 178.38