#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 4.64 0.00 0.44 1.01 -1.26 -4.92 121.20 121.11 2pnk s ILE 3 Ca 0.00 1.96 0.12 0.00 0.00 0.00 0.00 60.65 62.73 2pnk s ILE 3 Cb 0.00 -4.33 0.20 0.00 0.01 0.00 0.00 42.46 38.34 2pnk s ILE 3 CO 0.00 -0.25 1.06 -0.46 0.00 0.00 0.00 174.94 175.29 2pnk n ASN 4 N 6.44 0.42 -3.50 3.58 6.94 -1.26 -4.75 115.26 123.14 2pnk n ASN 4 Ca 0.12 -1.95 -0.12 0.00 -0.02 0.00 0.00 54.58 52.61 2pnk n ASN 4 Cb 0.46 -0.21 -0.03 0.00 -2.36 0.00 0.00 39.78 37.64 2pnk n ASN 4 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2pnk s SER 5 N -1.42 -0.47 0.36 0.53 1.04 -1.26 -5.03 113.70 107.45 2pnk s SER 5 Ca 0.16 -0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.59 2pnk s SER 5 Cb 0.18 0.55 0.69 0.00 0.10 0.00 0.00 66.02 67.54 2pnk s SER 5 CO -0.08 -0.91 1.93 -0.09 0.98 0.00 0.00 173.24 175.07 2pnk h ARG 6 N 2.19 0.51 -0.19 4.02 2.43 -1.97 -1.89 114.38 119.48 2pnk h ARG 6 Ca -0.34 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 2pnk h ARG 6 Cb 1.28 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2pnk h ARG 6 CO 0.41 0.49 0.07 1.49 -1.51 0.00 0.00 179.97 180.91 2pnk h GLU 7 N 0.50 0.29 -0.62 0.20 4.81 -1.99 0.27 114.58 118.04 2pnk h GLU 7 Ca 0.12 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 2pnk h GLU 7 Cb 0.22 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2pnk h GLU 7 CO -0.00 0.37 0.03 0.28 -0.73 0.00 0.00 179.01 178.97 2pnk h VAL 8 N 0.14 1.27 -0.62 0.32 2.07 -1.94 -2.83 116.25 114.65 2pnk h VAL 8 Ca 0.06 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.50 2pnk h VAL 8 Cb 0.20 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2pnk h VAL 8 CO -0.00 0.41 0.36 0.25 0.02 0.00 0.00 177.57 178.61 2pnk h LEU 9 N 0.98 0.57 -0.81 2.57 5.85 -1.18 -1.41 115.31 121.88 2pnk h LEU 9 Ca 0.18 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.92 2pnk h LEU 9 Cb 0.52 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 2pnk h LEU 9 CO 0.03 0.39 0.53 0.00 -0.34 0.00 0.00 178.44 179.05 2pnk h ALA 10 N 1.29 1.03 -0.39 1.25 0.00 -0.23 -0.35 119.26 121.87 2pnk h ALA 10 Ca 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2pnk h ALA 10 Cb 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2pnk h ALA 10 CO -0.13 0.45 0.11 1.49 0.00 0.00 0.00 179.25 181.17 2pnk h GLU 11 N 1.11 0.61 -0.50 0.00 4.81 -1.24 -1.35 114.58 118.01 2pnk h GLU 11 Ca 0.30 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 2pnk h GLU 11 Cb -0.12 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2pnk h GLU 11 CO -0.06 0.63 -0.15 0.87 -0.73 0.00 0.00 179.01 179.57 2pnk h LYS 12 N 0.48 0.97 -0.08 1.92 1.79 -0.99 -2.21 116.57 118.45 2pnk h LYS 12 Ca 0.12 -0.37 -0.04 0.00 -2.18 0.00 0.00 60.65 58.19 2pnk h LYS 12 Cb 0.28 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2pnk h LYS 12 CO -0.00 1.04 -0.09 0.28 -1.08 0.00 0.00 179.45 179.61 2pnk h VAL 13 N 0.86 1.37 -0.59 0.50 2.07 -0.99 -1.35 116.25 118.12 2pnk h VAL 13 Ca 0.13 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.42 2pnk h VAL 13 Cb 0.70 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 2pnk h VAL 13 CO 0.05 0.35 0.37 0.11 0.02 0.00 0.00 177.57 178.47 2pnk h LYS 14 N -0.22 0.71 -0.64 1.57 1.57 -1.27 0.19 116.57 118.48 2pnk h LYS 14 Ca 0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2pnk h LYS 14 Cb 0.60 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2pnk h LYS 14 CO 0.02 0.47 0.27 -0.91 -0.57 0.00 0.00 179.45 178.73 2pnk h ASN 15 N 0.73 0.87 -0.28 0.86 2.35 -1.44 0.22 115.58 118.88 2pnk h ASN 15 Ca 0.23 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2pnk h ASN 15 Cb -0.00 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 2pnk h ASN 15 CO -0.09 0.79 0.15 0.00 -1.65 0.00 0.00 177.43 176.63 2pnk h ALA 16 N 1.11 0.36 -0.44 -0.83 0.00 -0.45 -0.25 119.26 118.75 2pnk h ALA 16 Ca 0.21 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2pnk h ALA 16 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2pnk h ALA 16 CO -0.02 -0.11 0.01 0.28 0.00 0.00 0.00 179.25 179.41 2pnk h VAL 17 N 0.34 1.26 -0.72 0.00 2.07 -0.48 -1.43 116.25 117.28 2pnk h VAL 17 Ca 0.10 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 2pnk h VAL 17 Cb 0.07 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2pnk h VAL 17 CO -0.02 0.36 0.43 -1.13 0.02 0.00 0.00 177.57 177.23 2pnk h ASN 18 N 0.63 0.86 1.88 0.57 -1.24 -0.39 -3.12 115.58 114.77 2pnk h ASN 18 Ca 0.13 -0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 2pnk h ASN 18 Cb 0.49 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.32 2pnk h ASN 18 CO 0.02 0.67 -0.02 0.78 -1.29 0.00 0.00 177.43 177.59 2pnk h ASN 19 N 0.98 0.00 -2.65 1.15 2.35 -0.80 -3.45 115.58 113.15 2pnk h ASN 19 Ca 0.26 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.45 2pnk h ASN 19 Cb -0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2pnk h ASN 19 CO -0.05 0.02 1.12 -1.58 -1.65 0.00 0.00 177.43 175.30 2pnk s GLN 20 N -3.25 3.97 0.26 0.81 2.00 -0.56 -4.97 119.66 117.93 2pnk s GLN 20 Ca 0.06 1.95 -0.30 0.00 -2.00 0.00 0.00 55.36 55.07 2pnk s GLN 20 Cb 0.06 -4.02 -0.11 0.00 0.80 0.00 0.00 33.01 29.73 2pnk s GLN 20 CO 0.66 -1.09 1.60 -2.14 -0.50 0.00 0.00 175.29 173.82 2pnk s PRO 21 N 4.40 4.14 -0.06 1.67 0.02 -1.26 -4.92 135.00 138.99 2pnk s PRO 21 Ca 0.74 2.54 -0.15 0.00 0.02 0.00 0.00 61.00 64.15 2pnk s PRO 21 Cb -0.30 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.12 2pnk s PRO 21 CO 0.29 -0.63 0.40 0.08 -0.33 0.00 0.00 177.00 176.81 2pnk s VAL 22 N 0.30 5.13 -0.29 3.83 1.01 -0.13 -4.65 120.40 125.60 2pnk s VAL 22 Ca 0.66 0.80 -0.16 0.00 0.00 0.00 0.00 61.98 63.27 2pnk s VAL 22 Cb -0.47 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2pnk s VAL 22 CO 0.43 0.49 0.41 -0.89 0.00 0.00 0.00 175.10 175.54 2pnk s THR 23 N -0.39 5.13 0.43 3.92 2.01 -0.65 -0.72 115.64 125.37 2pnk s THR 23 Ca 0.23 0.52 0.05 0.00 0.31 0.00 0.00 61.69 62.79 2pnk s THR 23 Cb -0.15 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.59 2pnk s THR 23 CO 0.11 0.06 0.60 -0.62 -0.69 0.00 0.00 174.62 174.07 2pnk s ASP 24 N 1.66 5.69 -0.50 3.53 -1.08 -0.27 -4.71 116.67 120.99 2pnk s ASP 24 Ca 0.16 -0.18 -0.45 0.00 -0.52 0.00 0.00 52.55 51.56 2pnk s ASP 24 Cb -0.16 -0.98 -0.19 0.00 -1.46 0.00 0.00 42.92 40.13 2pnk s ASP 24 CO 0.11 -0.74 1.84 1.57 0.52 0.00 0.00 175.17 178.47 2pnk n HIS 26 N -1.92 1.46 -4.25 -5.34 -0.00 -1.26 -1.21 115.22 102.69 2pnk n HIS 26 Ca 0.05 0.96 -0.15 0.00 -0.00 0.00 0.00 57.72 58.58 2pnk n HIS 26 Cb 0.59 -2.24 -0.09 0.00 -0.00 0.00 0.00 29.99 28.25 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 4.39 0.08 -0.33 3.57 -4.23 -0.64 -1.26 115.64 117.24 2pnk s THR 27 Ca 1.11 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.69 2pnk s THR 27 Cb -1.49 -2.51 0.47 0.00 1.34 0.00 0.00 72.50 70.31 2pnk s THR 27 CO 0.74 0.00 1.39 1.41 -0.54 0.00 0.00 174.62 177.62 2pnk n HIS 28 N -0.41 1.87 -3.70 3.99 8.25 0.12 -2.63 115.22 122.72 2pnk n HIS 28 Ca 0.03 -2.03 -0.21 0.00 -0.26 0.00 0.00 57.72 55.25 2pnk n HIS 28 Cb 0.65 -0.52 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 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 4.15 0.06 2.41 1.43 -1.19 -4.60 118.68 117.46 2pnk s LEU 29 Ca 0.49 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 2pnk s LEU 29 Cb 0.42 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 2pnk s LEU 29 CO 0.00 -0.23 -0.12 -0.36 0.23 0.00 0.00 176.35 175.88 2pnk s PHE 30 N -2.11 1.00 0.29 0.29 0.08 -1.26 -4.43 117.98 111.84 2pnk s PHE 30 Ca 0.38 -0.45 -0.29 0.00 0.12 0.00 0.00 56.93 56.70 2pnk s PHE 30 Cb -0.09 -0.58 -0.14 0.00 -0.57 0.00 0.00 43.02 41.64 2pnk s PHE 30 CO 0.31 0.00 1.12 0.45 -0.10 0.00 0.00 175.22 177.00 2pnk n SER 31 N 1.46 1.78 0.28 1.36 2.88 -1.26 -4.75 113.62 115.36 2pnk n SER 31 Ca -0.21 1.18 0.15 0.00 -1.33 0.00 0.00 58.87 58.66 2pnk n SER 31 Cb 0.54 -1.34 0.83 0.00 -0.75 0.00 0.00 64.21 63.49 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 2.37 0.00 0.00 -1.46 0.13 -1.93 -0.92 132.00 130.18 2pnk h PRO 32 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2pnk h PRO 32 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2pnk h PRO 32 CO 0.63 0.07 0.00 0.27 -0.23 0.00 0.00 178.00 178.74 2pnk n ASN 33 N -3.57 0.00 0.00 1.44 6.94 -1.26 -1.78 115.26 117.02 2pnk n ASN 33 Ca -0.02 0.31 0.14 0.00 -0.02 0.00 0.00 54.58 54.99 2pnk n ASN 33 Cb 0.19 -0.41 0.76 0.00 -2.36 0.00 0.00 39.78 37.96 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 -1.41 0.00 -2.91 -2.53 3.01 -0.35 -5.02 117.46 108.25 2pnk n PHE 34 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 2pnk n PHE 34 Cb 0.16 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 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 1.05 0.26 0.00 1.37 0.00 -0.74 -4.28 105.19 102.85 2pnk n GLY 35 Ca 0.16 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 5.83 0.29 0.30 1.61 -0.58 -1.26 -2.10 120.64 124.72 2pnk n GLU 36 Ca 0.00 0.06 0.17 0.00 -0.42 0.00 0.00 57.16 56.97 2pnk n GLU 36 Cb 0.00 -1.50 0.92 0.00 -0.57 0.00 0.00 31.44 30.29 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 0.34 -2.80 -3.67 3.07 -1.92 -3.38 117.51 109.15 2pnk h ILE 37 Ca 0.00 -0.22 -0.56 0.00 1.55 0.00 0.00 64.86 65.63 2pnk h ILE 37 Cb 0.26 1.16 -0.04 0.00 -0.27 0.00 0.00 36.82 37.93 2pnk h ILE 37 CO 0.00 0.04 1.19 -0.22 -1.05 0.00 0.00 178.15 178.11 2pnk s LEU 38 N -6.98 3.48 0.05 0.16 2.96 -0.89 -4.77 118.68 112.68 2pnk s LEU 38 Ca -0.04 0.83 -0.23 0.00 -0.22 0.00 0.00 54.13 54.48 2pnk s LEU 38 Cb 0.13 -3.30 -0.06 0.00 0.50 0.00 0.00 46.19 43.46 2pnk s LEU 38 CO 0.52 -1.72 0.68 -0.76 -1.32 0.00 0.00 176.35 173.76 2pnk s LEU 39 N 6.58 4.47 0.05 -0.68 1.43 -1.26 -5.01 118.68 124.26 2pnk s LEU 39 Ca 0.67 1.35 -0.18 0.00 -1.03 0.00 0.00 54.13 54.94 2pnk s LEU 39 Cb -0.16 -3.09 0.04 0.00 0.03 0.00 0.00 46.19 43.00 2pnk s LEU 39 CO 0.30 0.11 0.42 -1.66 0.23 0.00 0.00 176.35 175.75 2pnk s TRP 40 N -0.39 -0.28 0.00 0.29 1.48 -1.26 -1.14 118.94 117.63 2pnk s TRP 40 Ca 0.34 0.24 0.00 0.00 -1.06 0.00 0.00 56.10 55.62 2pnk s TRP 40 Cb -0.20 0.23 0.00 0.00 -1.16 0.00 0.00 33.47 32.34 2pnk s TRP 40 CO 0.21 -0.58 0.00 -0.40 -4.06 0.00 0.00 176.95 172.11 2pnk n ASP 41 N 0.47 0.00 -0.06 -2.66 5.68 -1.26 -4.58 116.55 114.13 2pnk n ASP 41 Ca -0.18 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.12 2pnk n ASP 41 Cb 0.60 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.91 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 1.16 -0.22 2.12 6.09 -1.96 -0.16 117.51 124.54 2pnk h ILE 42 Ca 0.00 -0.42 -0.12 0.00 -1.37 0.00 0.00 64.86 62.95 2pnk h ILE 42 Cb 0.00 0.52 -0.01 0.00 0.47 0.00 0.00 36.82 37.80 2pnk h ILE 42 CO 0.00 0.18 -0.38 0.44 -3.07 0.00 0.00 178.15 175.32 2pnk h ASP 43 N 0.68 0.51 -0.36 2.19 3.32 -1.95 -0.67 116.42 120.14 2pnk h ASP 43 Ca 0.17 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 2pnk h ASP 43 Cb 0.05 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2pnk h ASP 43 CO -0.03 0.84 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.93 2pnk h GLU 44 N 0.41 0.68 -0.53 3.56 4.39 -1.60 -2.22 114.58 119.27 2pnk h GLU 44 Ca 0.04 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.51 2pnk h GLU 44 Cb 0.84 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 2pnk h GLU 44 CO 0.07 0.83 0.32 -0.07 -1.16 0.00 0.00 179.01 178.99 2pnk h LEU 45 N 0.47 0.52 -1.18 1.33 3.38 -0.88 -1.96 115.31 117.00 2pnk h LEU 45 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2pnk h LEU 45 Cb 0.56 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2pnk h LEU 45 CO 0.03 0.37 -0.13 -0.07 0.09 0.00 0.00 178.44 178.73 2pnk h LEU 46 N 0.64 0.00 -2.53 1.67 3.38 -1.08 -3.13 115.31 114.26 2pnk h LEU 46 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2pnk h LEU 46 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2pnk h LEU 46 CO -0.09 0.13 0.00 0.35 0.09 0.00 0.00 178.44 178.92 2pnk n THR 47 N -3.26 0.75 -1.46 0.22 -2.24 -0.84 -4.67 114.28 102.78 2pnk n THR 47 Ca 0.01 -0.87 -0.47 0.00 -2.27 0.00 0.00 64.05 60.44 2pnk n THR 47 Cb 0.39 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 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 1.10 0.09 0.29 4.78 9.36 -0.78 -4.67 117.16 127.33 2pnk n TYR 48 Ca 0.17 0.88 0.16 0.00 3.32 0.00 0.00 57.90 62.43 2pnk n TYR 48 Cb 0.51 -2.06 0.88 0.00 -0.63 0.00 0.00 39.34 38.05 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 1.32 0.00 -0.39 2.98 2.07 -1.92 -0.06 115.15 119.15 2pnk h HIS 49 Ca -0.32 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.18 2pnk h HIS 49 Cb 1.41 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.37 2pnk h HIS 49 CO 0.44 0.05 0.16 1.88 -3.07 0.00 0.00 177.93 177.39 2pnk h TYR 50 N 0.00 0.54 0.00 6.12 -1.99 -1.95 -2.05 116.97 117.64 2pnk h TYR 50 Ca -0.00 -0.02 -0.24 0.00 2.00 0.00 0.00 58.73 60.48 2pnk h TYR 50 Cb 0.22 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 38.74 2pnk h TYR 50 CO 0.00 0.42 -1.43 -0.07 -0.00 0.00 0.00 178.16 177.09 2pnk h LEU 51 N 0.55 0.00 -0.20 3.88 3.38 -1.33 -3.13 115.31 118.47 2pnk h LEU 51 Ca 0.14 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.15 2pnk h LEU 51 Cb 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2pnk h LEU 51 CO -0.01 0.88 -0.08 0.58 0.09 0.00 0.00 178.44 179.90 2pnk h VAL 52 N 0.00 0.74 -0.63 1.22 2.07 -1.17 0.06 116.25 118.54 2pnk h VAL 52 Ca -0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.41 2pnk h VAL 52 Cb 1.84 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.29 2pnk h VAL 52 CO 0.08 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.98 2pnk h ALA 53 N 1.14 0.84 -0.15 1.67 0.00 -1.47 -2.87 119.26 118.43 2pnk h ALA 53 Ca 0.10 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 2pnk h ALA 53 Cb 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2pnk h ALA 53 CO -0.23 -0.06 -0.67 0.93 0.00 0.00 0.00 179.25 179.22 2pnk h GLU 54 N 0.56 0.58 -2.03 0.00 5.08 -1.43 -3.20 114.58 114.15 2pnk h GLU 54 Ca 0.30 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2pnk h GLU 54 Cb 0.27 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2pnk h GLU 54 CO -0.23 1.05 0.01 1.55 -1.00 0.00 0.00 179.01 180.38 2pnk n VAL 55 N -3.91 0.86 0.00 3.13 3.14 -0.02 -3.99 118.33 117.54 2pnk n VAL 55 Ca -0.05 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 2pnk n VAL 55 Cb 0.68 -1.23 0.00 0.00 -1.06 0.00 0.00 33.84 32.22 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 1.83 0.00 0.00 1.45 1.74 -1.21 -0.80 116.66 119.67 2pnk n ARG 57 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2pnk n ARG 57 Cb 0.22 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.66 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 -2.77 -1.55 7.02 -1.26 -5.09 117.44 113.79 2pnk n TRP 58 Ca 0.00 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.14 2pnk n TRP 58 Cb 0.00 0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 28.83 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 -1.89 4.26 -0.03 -0.99 -1.32 0.02 -4.97 115.64 110.73 2pnk s THR 59 Ca 0.00 1.55 0.24 0.00 -1.21 0.00 0.00 61.69 62.26 2pnk s THR 59 Cb 0.00 -3.71 0.25 0.00 -1.51 0.00 0.00 72.50 67.53 2pnk s THR 59 CO 0.00 -0.17 1.75 0.44 -2.21 0.00 0.00 174.62 174.43 2pnk h ASP 60 N 2.27 0.00 -2.73 8.08 5.19 -1.99 -3.46 116.42 123.79 2pnk h ASP 60 Ca -0.48 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.40 2pnk h ASP 60 Cb 1.19 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.74 2pnk h ASP 60 CO 0.62 0.20 0.96 -0.69 -3.12 0.00 0.00 179.24 177.20 2pnk s VAL 61 N -3.45 2.55 0.67 -1.35 1.01 -1.26 -4.99 120.40 113.59 2pnk s VAL 61 Ca 0.02 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 2pnk s VAL 61 Cb 0.09 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.27 2pnk s VAL 61 CO 0.65 0.02 1.13 -0.94 0.00 0.00 0.00 175.10 175.96 2pnk s SER 62 N 1.56 4.90 0.34 3.32 1.04 -1.26 -4.84 113.70 118.76 2pnk s SER 62 Ca 0.73 2.10 0.03 0.00 0.48 0.00 0.00 55.95 59.29 2pnk s SER 62 Cb -0.45 -2.56 0.60 0.00 0.10 0.00 0.00 66.02 63.71 2pnk s SER 62 CO 0.32 -1.78 1.91 -0.29 0.98 0.00 0.00 173.24 174.38 2pnk h ILE 63 N -0.00 1.19 -0.05 -1.02 6.09 -1.97 0.38 117.51 122.13 2pnk h ILE 63 Ca -0.47 -0.65 -0.00 0.00 -1.37 0.00 0.00 64.86 62.37 2pnk h ILE 63 Cb 1.26 0.74 -0.00 0.00 0.47 0.00 0.00 36.82 39.29 2pnk h ILE 63 CO 0.53 0.24 0.02 -0.33 -3.07 0.00 0.00 178.15 175.54 2pnk h GLU 64 N 0.61 0.07 -0.70 2.19 3.07 -1.93 -1.72 114.58 116.18 2pnk h GLU 64 Ca 0.14 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.00 2pnk h GLU 64 Cb 0.22 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 2pnk h GLU 64 CO -0.01 0.21 0.46 0.00 -1.40 0.00 0.00 179.01 178.28 2pnk h ALA 65 N 0.86 1.52 -0.35 3.43 0.00 -1.83 -1.94 119.26 120.96 2pnk h ALA 65 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2pnk h ALA 65 Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2pnk h ALA 65 CO -0.00 0.43 0.16 0.35 0.00 0.00 0.00 179.25 180.20 2pnk h PHE 66 N 0.92 0.51 0.00 0.00 3.57 -0.62 -2.88 116.94 118.45 2pnk h PHE 66 Ca 0.26 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 2pnk h PHE 66 Cb -0.07 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 2pnk h PHE 66 CO -0.00 0.45 -0.24 -1.49 -2.23 0.00 0.00 178.31 174.80 2pnk h TRP 67 N 0.43 0.00 0.00 0.41 -0.00 -1.07 -3.45 115.95 112.27 2pnk h TRP 67 Ca 0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.91 2pnk h TRP 67 Cb 0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.26 2pnk h TRP 67 CO -0.01 0.24 -0.06 0.00 -0.00 0.00 0.00 178.44 178.61 2pnk n ALA 68 N -2.23 4.22 -2.65 1.49 0.00 -0.75 -5.07 120.51 115.52 2pnk n ALA 68 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 53.44 52.23 2pnk n ALA 68 Cb 0.43 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 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 2.31 5.12 0.22 0.00 1.04 -1.26 -5.10 113.70 116.03 2pnk s SER 70 Ca 0.36 -0.49 -0.09 0.00 0.48 0.00 0.00 55.95 56.22 2pnk s SER 70 Cb 0.17 -1.06 0.24 0.00 0.10 0.00 0.00 66.02 65.48 2pnk s SER 70 CO 0.00 -0.16 1.83 0.50 0.98 0.00 0.00 173.24 176.39 2pnk h LYS 71 N 1.51 0.79 -0.38 4.02 3.64 -1.97 0.10 116.57 124.29 2pnk h LYS 71 Ca -0.46 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 2pnk h LYS 71 Cb 1.25 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2pnk h LYS 71 CO 0.60 0.52 0.05 -0.09 -2.27 0.00 0.00 179.45 178.27 2pnk h ARG 72 N 0.81 0.57 -0.28 1.90 2.43 -1.98 0.84 114.38 118.68 2pnk h ARG 72 Ca 0.31 -0.11 -0.18 0.00 -0.81 0.00 0.00 59.98 59.19 2pnk h ARG 72 Cb 0.12 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2pnk h ARG 72 CO -0.15 0.56 -0.54 0.93 -1.51 0.00 0.00 179.97 179.26 2pnk h GLU 73 N 0.56 0.82 0.00 0.20 5.08 -1.62 -0.37 114.58 119.25 2pnk h GLU 73 Ca 0.12 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2pnk h GLU 73 Cb 0.28 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2pnk h GLU 73 CO 0.00 1.15 -0.00 1.96 -1.00 0.00 0.00 179.01 181.12 2pnk h GLN 74 N 0.63 -0.01 -0.61 2.33 4.20 -0.35 -1.03 115.11 120.28 2pnk h GLN 74 Ca 0.02 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.77 2pnk h GLN 74 Cb 1.13 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.87 2pnk h GLN 74 CO 0.12 0.07 0.35 0.00 -0.67 0.00 0.00 178.83 178.70 2pnk h ALA 75 N 0.92 0.79 -0.89 3.87 0.00 -0.84 -1.56 119.26 121.56 2pnk h ALA 75 Ca -0.00 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2pnk h ALA 75 Cb 0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2pnk h ALA 75 CO 0.00 0.06 0.55 -0.44 0.00 0.00 0.00 179.25 179.42 2pnk h ASP 76 N 0.68 0.85 -0.13 0.00 3.32 -0.85 -1.40 116.42 118.89 2pnk h ASP 76 Ca 0.26 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 2pnk h ASP 76 Cb 0.08 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2pnk h ASP 76 CO -0.13 0.53 -0.03 0.25 -1.72 0.00 0.00 179.24 178.14 2pnk h LEU 77 N 0.97 0.25 -0.96 1.55 5.85 -0.67 -2.36 115.31 119.94 2pnk h LEU 77 Ca 0.40 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2pnk h LEU 77 Cb 0.23 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2pnk h LEU 77 CO -0.19 0.56 0.45 0.40 -0.34 0.00 0.00 178.44 179.31 2pnk h ILE 78 N -0.05 1.25 -0.00 4.05 2.04 -1.09 -0.70 117.51 123.00 2pnk h ILE 78 Ca 0.03 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 2pnk h ILE 78 Cb 0.44 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2pnk h ILE 78 CO 0.01 0.28 0.00 -0.25 0.00 0.00 0.00 178.15 178.20 2pnk h TRP 79 N 1.18 0.01 -0.35 1.37 2.91 -1.24 0.18 115.95 120.01 2pnk h TRP 79 Ca 0.30 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.30 2pnk h TRP 79 Cb 0.05 -0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.68 2pnk h TRP 79 CO 0.01 0.05 0.18 1.49 -1.03 0.00 0.00 178.44 179.14 2pnk h GLU 80 N -0.04 0.50 0.16 2.65 4.57 -0.98 -0.77 114.58 120.66 2pnk h GLU 80 Ca 0.00 -0.07 -0.30 0.00 -1.18 0.00 0.00 59.36 57.81 2pnk h GLU 80 Cb 0.05 -0.09 0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2pnk h GLU 80 CO -0.00 0.44 -1.30 0.93 -1.18 0.00 0.00 179.01 177.89 2pnk h GLU 81 N 0.43 0.47 0.00 1.92 4.39 -1.11 0.25 114.58 120.94 2pnk h GLU 81 Ca 0.12 -0.73 0.00 0.00 0.34 0.00 0.00 59.36 59.10 2pnk h GLU 81 Cb 0.10 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2pnk h GLU 81 CO -0.02 1.33 -1.43 1.28 -1.16 0.00 0.00 179.01 179.01 2pnk n LEU 82 N -3.68 0.51 -0.01 1.33 4.77 0.05 -3.84 117.00 116.13 2pnk n LEU 82 Ca -0.13 -0.21 -0.01 0.00 -0.03 0.00 0.00 56.01 55.63 2pnk n LEU 82 Cb 1.03 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 42.09 2pnk n LEU 82 CO 0.57 0.11 -0.56 0.49 -1.33 0.00 0.00 177.39 176.68 2pnk n PHE 83 N -1.90 0.00 -0.08 -1.77 3.01 -0.34 -3.53 117.46 112.84 2pnk n PHE 83 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.24 2pnk n PHE 83 Cb 0.45 -0.07 -0.12 0.00 -0.01 0.00 0.00 39.48 39.73 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 -2.43 1.60 0.18 4.37 2.08 -0.91 -4.39 119.36 119.86 2pnk n ILE 84 Ca -0.03 -0.42 0.07 0.00 0.56 0.00 0.00 62.75 62.94 2pnk n ILE 84 Cb 0.54 -1.78 0.11 0.00 -0.75 0.00 0.00 39.64 37.76 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 -0.45 0.00 -4.03 0.38 1.57 -1.12 -3.45 116.57 109.47 2pnk h LYS 85 Ca -0.50 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.14 2pnk h LYS 85 Cb 1.73 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.86 2pnk h LYS 85 CO -0.14 0.25 -0.64 1.03 -0.57 0.00 0.00 179.45 179.39 2pnk s ARG 86 N -3.11 0.51 0.27 3.15 3.00 -1.25 -5.05 118.95 116.47 2pnk s ARG 86 Ca 0.05 -0.89 -0.30 0.00 0.00 0.00 0.00 55.73 54.60 2pnk s ARG 86 Cb 0.06 0.19 -0.09 0.00 0.00 0.00 0.00 34.95 35.11 2pnk s ARG 86 CO 0.70 -0.10 1.09 -1.12 0.00 0.00 0.00 175.30 175.87 2pnk s SER 87 N -2.23 7.30 -1.35 0.23 0.01 -1.26 -3.56 113.70 112.84 2pnk s SER 87 Ca -0.04 2.23 -0.09 0.00 1.31 0.00 0.00 55.95 59.36 2pnk s SER 87 Cb -0.00 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.53 2pnk s SER 87 CO -0.06 -0.12 2.60 -0.81 0.41 0.00 0.00 173.24 175.26 2pnk n PRO 88 N 1.31 3.03 0.17 12.44 -0.04 -1.23 -4.65 135.00 146.04 2pnk n PRO 88 Ca -0.01 -1.96 0.12 0.00 -0.04 0.00 0.00 63.50 61.61 2pnk n PRO 88 Cb 0.45 -2.71 0.16 0.00 -0.04 0.00 0.00 33.50 31.36 2pnk n PRO 88 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2pnk h VAL 89 N 3.26 0.00 -4.21 0.52 -1.51 -1.90 -3.15 116.25 109.26 2pnk h VAL 89 Ca 0.72 -0.91 -0.53 0.00 -1.23 0.00 0.00 66.70 64.75 2pnk h VAL 89 Cb 0.27 1.78 0.15 0.00 -2.13 0.00 0.00 31.29 31.36 2pnk h VAL 89 CO 1.68 0.00 0.35 -0.94 -1.23 0.00 0.00 177.57 177.43 2pnk s SER 90 N -5.72 4.11 0.21 4.19 1.04 -1.26 -4.72 113.70 111.54 2pnk s SER 90 Ca 0.06 2.22 -0.09 0.00 0.48 0.00 0.00 55.95 58.61 2pnk s SER 90 Cb 0.07 -2.57 0.22 0.00 0.10 0.00 0.00 66.02 63.84 2pnk s SER 90 CO 0.69 -2.31 1.82 -0.08 0.98 0.00 0.00 173.24 174.34 2pnk h GLU 91 N -0.64 0.74 -0.50 4.02 4.57 -1.97 0.11 114.58 120.92 2pnk h GLU 91 Ca -0.46 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 57.55 2pnk h GLU 91 Cb 1.28 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 2pnk h GLU 91 CO 0.49 0.49 -0.19 0.00 -1.18 0.00 0.00 179.01 178.62 2pnk h ALA 92 N 1.33 0.72 -0.04 2.92 0.00 -1.95 -0.39 119.26 121.86 2pnk h ALA 92 Ca 0.29 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2pnk h ALA 92 Cb 0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2pnk h ALA 92 CO -0.15 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 2pnk h ARG 94 N -0.36 0.22 -0.81 0.00 2.43 -0.75 -2.19 114.38 112.92 2pnk h ARG 94 Ca 0.01 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2pnk h ARG 94 Cb 0.52 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.96 2pnk h ARG 94 CO 0.01 0.15 0.49 0.78 -1.51 0.00 0.00 179.97 179.89 2pnk h GLY 95 N 0.23 1.23 0.89 2.80 0.00 -0.83 -0.22 103.07 107.17 2pnk h GLY 95 Ca 0.47 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.48 2pnk h GLY 95 CO -0.59 0.23 0.56 -2.08 0.00 0.00 0.00 176.54 174.66 2pnk h VAL 96 N 0.89 1.15 -0.36 4.60 2.07 -1.07 -1.26 116.25 122.27 2pnk h VAL 96 Ca 0.36 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 2pnk h VAL 96 Cb 0.19 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 2pnk h VAL 96 CO -0.18 0.20 -0.14 -0.07 0.02 0.00 0.00 177.57 177.40 2pnk h LEU 97 N 1.10 0.75 -0.99 2.57 3.38 -1.02 -2.18 115.31 118.93 2pnk h LEU 97 Ca 0.34 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 58.00 2pnk h LEU 97 Cb -0.01 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.46 2pnk h LEU 97 CO -0.11 0.97 0.63 0.74 0.09 0.00 0.00 178.44 180.76 2pnk h THR 98 N 0.53 1.06 -0.18 0.22 2.02 -0.68 -1.61 112.91 114.26 2pnk h THR 98 Ca 0.09 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 2pnk h THR 98 Cb 0.67 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2pnk h THR 98 CO 0.05 0.21 -0.00 0.00 0.37 0.00 0.00 175.52 176.14 2pnk h LEU 100 N 0.07 0.38 -0.67 0.00 3.38 -1.14 -1.98 115.31 115.35 2pnk h LEU 100 Ca 0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2pnk h LEU 100 Cb 0.39 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2pnk h LEU 100 CO 0.01 0.27 0.38 -0.61 0.09 0.00 0.00 178.44 178.58 2pnk h GLN 101 N 0.50 0.92 0.00 1.13 4.15 -1.19 -0.42 115.11 120.20 2pnk h GLN 101 Ca 0.20 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 2pnk h GLN 101 Cb 0.07 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2pnk h GLN 101 CO -0.12 0.68 -0.19 0.78 -1.93 0.00 0.00 178.83 178.06 2pnk h GLY 102 N 0.91 0.00 1.07 2.39 0.00 -0.83 -1.16 103.07 105.45 2pnk h GLY 102 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2pnk h GLY 102 CO -0.04 0.00 -0.07 1.04 0.00 0.00 0.00 176.54 177.47 2pnk n LEU 103 N -4.15 0.32 0.00 3.11 4.77 -0.78 -4.91 117.00 115.36 2pnk n LEU 103 Ca -0.02 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2pnk n LEU 103 Cb 0.26 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2pnk n LEU 103 CO 0.35 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2pnk n GLY 104 N 1.25 0.75 3.91 -0.72 0.00 -0.44 -5.08 105.19 104.87 2pnk n GLY 104 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 3.87 -0.43 0.99 1.43 -0.23 -5.00 118.68 119.30 2pnk s LEU 105 Ca 0.00 0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 53.80 2pnk s LEU 105 Cb 0.00 -3.64 0.11 0.00 0.03 0.00 0.00 46.19 42.68 2pnk s LEU 105 CO 0.00 -0.38 0.25 -0.62 0.23 0.00 0.00 176.35 175.83 2pnk s ASP 106 N -3.76 5.44 0.60 2.29 2.15 -1.26 -3.69 116.67 118.44 2pnk s ASP 106 Ca 0.45 -1.90 0.29 0.00 0.43 0.00 0.00 52.55 51.82 2pnk s ASP 106 Cb -0.10 -1.91 1.53 0.00 -0.30 0.00 0.00 42.92 42.14 2pnk s ASP 106 CO 0.37 -0.58 1.95 -0.65 -0.17 0.00 0.00 175.17 176.08 2pnk h PRO 107 N 8.23 0.00 -0.31 4.34 0.11 -1.91 -2.42 132.00 140.04 2pnk h PRO 107 Ca -0.17 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.96 2pnk h PRO 107 Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2pnk h PRO 107 CO 0.76 0.00 0.21 0.00 -0.21 0.00 0.00 178.00 178.75 2pnk h ALA 108 N 1.52 1.88 0.00 -0.75 0.00 -2.01 -1.78 119.26 118.12 2pnk h ALA 108 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2pnk h ALA 108 Cb 0.96 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2pnk h ALA 108 CO -0.00 0.09 -0.04 1.79 0.00 0.00 0.00 179.25 181.09 2pnk h THR 109 N 0.33 0.06 -3.98 0.00 1.35 -1.87 -3.47 112.91 105.33 2pnk h THR 109 Ca 0.12 -1.04 -0.29 0.00 -0.55 0.00 0.00 66.41 64.65 2pnk h THR 109 Cb 0.09 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 2pnk h THR 109 CO -0.03 0.03 -0.39 0.54 -0.25 0.00 0.00 175.52 175.43 2pnk n ARG 110 N -3.11 -2.48 -3.09 4.72 1.74 -0.67 -4.87 116.66 108.90 2pnk n ARG 110 Ca 0.04 0.65 -0.44 0.00 -0.77 0.00 0.00 57.85 57.32 2pnk n ARG 110 Cb 0.52 -5.29 0.00 0.00 -1.02 0.00 0.00 32.46 26.67 2pnk n ARG 110 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pnk n ASP 111 N -1.94 5.39 -0.34 0.55 -0.08 -1.26 -4.87 116.55 114.00 2pnk n ASP 111 Ca -0.14 -3.02 0.09 0.00 -1.51 0.00 0.00 54.79 50.21 2pnk n ASP 111 Cb 0.61 -1.48 0.29 0.00 2.34 0.00 0.00 41.12 42.88 2pnk n ASP 111 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2pnk h LEU 112 N 8.22 0.84 -0.71 -2.67 5.85 -1.99 -1.20 115.31 123.66 2pnk h LEU 112 Ca 0.26 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.92 2pnk h LEU 112 Cb 0.85 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2pnk h LEU 112 CO 1.17 0.43 -0.20 -0.61 -0.34 0.00 0.00 178.44 178.89 2pnk h GLN 113 N 0.89 0.79 -0.53 1.25 5.75 -1.99 -1.59 115.11 119.68 2pnk h GLN 113 Ca 0.50 -0.30 -0.11 0.00 -0.15 0.00 0.00 58.65 58.58 2pnk h GLN 113 Cb 0.60 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 2pnk h GLN 113 CO -0.26 0.92 -0.12 0.28 -2.65 0.00 0.00 178.83 176.99 2pnk h VAL 114 N 0.69 1.27 -0.53 2.39 2.07 -1.68 -2.19 116.25 118.27 2pnk h VAL 114 Ca 0.10 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.38 2pnk h VAL 114 Cb 0.70 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 2pnk h VAL 114 CO 0.05 0.45 0.31 1.88 0.02 0.00 0.00 177.57 180.28 2pnk h TYR 115 N 0.89 0.58 -0.67 1.57 0.05 -1.07 -2.26 116.97 116.06 2pnk h TYR 115 Ca 0.14 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.97 2pnk h TYR 115 Cb 0.68 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.20 2pnk h TYR 115 CO 0.04 0.33 0.44 0.00 -1.05 0.00 0.00 178.16 177.92 2pnk h ARG 116 N 0.62 0.77 -0.39 4.88 3.08 -1.06 -2.08 114.38 120.19 2pnk h ARG 116 Ca 0.22 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2pnk h ARG 116 Cb 0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2pnk h ARG 116 CO -0.10 0.51 0.24 0.93 -1.07 0.00 0.00 179.97 180.47 2pnk h GLU 117 N 0.79 0.52 -0.68 0.04 5.08 -0.78 -2.56 114.58 116.99 2pnk h GLU 117 Ca 0.27 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.66 2pnk h GLU 117 Cb 0.08 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 2pnk h GLU 117 CO -0.08 0.37 0.36 -0.92 -1.00 0.00 0.00 179.01 177.75 2pnk h TYR 118 N 0.54 0.66 0.00 4.33 5.03 -1.27 -3.03 116.97 123.22 2pnk h TYR 118 Ca 0.14 0.03 -0.19 0.00 2.58 0.00 0.00 58.73 61.29 2pnk h TYR 118 Cb -0.02 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.04 2pnk h TYR 118 CO 0.00 0.28 -0.89 0.74 -1.32 0.00 0.00 178.16 176.98 2pnk h PHE 119 N 0.65 0.00 0.00 -3.82 0.04 -1.55 -3.18 116.94 109.08 2pnk h PHE 119 Ca 0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.09 2pnk h PHE 119 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 2pnk h PHE 119 CO -0.09 0.89 0.00 0.00 -0.60 0.00 0.00 178.31 178.50 2pnk h ALA 120 N 1.11 1.00 0.00 2.45 0.00 -1.37 -2.90 119.26 119.56 2pnk h ALA 120 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pnk h ALA 120 Cb 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2pnk h ALA 120 CO 0.12 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.24 2pnk h LYS 121 N 0.00 0.00 -6.34 0.00 1.57 -1.58 -3.48 116.57 106.74 2pnk h LYS 121 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 2pnk h LYS 121 Cb 0.32 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.50 2pnk h LYS 121 CO 0.00 0.00 -0.71 0.15 -0.57 0.00 0.00 179.45 178.32 2pnk s LYS 122 N -3.12 2.03 0.61 3.15 1.02 -1.10 -5.14 119.74 117.19 2pnk s LYS 122 Ca 0.10 -1.42 -0.04 0.00 0.02 0.00 0.00 55.97 54.63 2pnk s LYS 122 Cb 0.11 -2.07 0.03 0.00 -0.52 0.00 0.00 37.83 35.38 2pnk s LYS 122 CO 0.60 0.39 0.89 0.95 -0.92 0.00 0.00 175.35 177.26 2pnk s THR 123 N -2.03 3.00 0.23 2.17 -4.23 -1.26 -4.98 115.64 108.55 2pnk s THR 123 Ca 0.27 -0.28 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 2pnk s THR 123 Cb -0.07 -3.21 0.20 0.00 1.34 0.00 0.00 72.50 70.76 2pnk s THR 123 CO 0.16 -0.19 1.87 0.28 -0.54 0.00 0.00 174.62 176.20 2pnk h SER 124 N -0.22 0.88 -0.59 3.99 0.02 -1.97 -1.97 113.55 113.69 2pnk h SER 124 Ca -0.44 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.41 2pnk h SER 124 Cb 1.29 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 2pnk h SER 124 CO 0.58 0.60 -0.02 -0.33 -1.14 0.00 0.00 176.83 176.53 2pnk h GLU 125 N 1.03 1.05 -0.29 3.45 3.07 -1.95 -0.31 114.58 120.63 2pnk h GLU 125 Ca 0.34 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2pnk h GLU 125 Cb 0.04 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 2pnk h GLU 125 CO -0.13 1.04 0.09 0.93 -1.40 0.00 0.00 179.01 179.55 2pnk h GLU 126 N 0.94 0.45 -0.25 2.33 5.08 -1.93 -2.28 114.58 118.93 2pnk h GLU 126 Ca 0.16 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2pnk h GLU 126 Cb 0.58 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2pnk h GLU 126 CO 0.03 0.50 -0.19 0.37 -1.00 0.00 0.00 179.01 178.72 2pnk h GLN 127 N 0.31 0.44 -0.26 2.33 5.75 -1.05 -0.56 115.11 122.08 2pnk h GLN 127 Ca 0.09 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2pnk h GLN 127 Cb 0.24 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 2pnk h GLN 127 CO -0.00 0.62 0.12 0.28 -2.65 0.00 0.00 178.83 177.20 2pnk h VAL 128 N 0.40 1.15 -0.16 2.39 2.07 -1.00 0.99 116.25 122.09 2pnk h VAL 128 Ca 0.07 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.19 2pnk h VAL 128 Cb 0.57 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2pnk h VAL 128 CO 0.04 0.15 0.00 0.44 0.02 0.00 0.00 177.57 178.22 2pnk h ASP 129 N 0.28 -0.06 -0.09 0.57 3.32 -0.91 -1.44 116.42 118.09 2pnk h ASP 129 Ca 0.09 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.19 2pnk h ASP 129 Cb 0.12 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2pnk h ASP 129 CO -0.01 -0.01 0.00 0.74 -1.72 0.00 0.00 179.24 178.24 2pnk h THR 130 N 0.05 0.94 -0.36 0.35 2.02 -1.00 -2.12 112.91 112.79 2pnk h THR 130 Ca 0.07 -0.01 -0.16 0.00 0.77 0.00 0.00 66.41 67.08 2pnk h THR 130 Cb 0.09 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2pnk h THR 130 CO -0.12 0.01 -0.39 0.58 0.37 0.00 0.00 175.52 175.97 2pnk h VAL 131 N 0.03 1.28 -0.53 3.16 2.07 -0.65 -1.70 116.25 119.91 2pnk h VAL 131 Ca 0.04 -1.56 -0.06 0.00 0.82 0.00 0.00 66.70 65.94 2pnk h VAL 131 Cb 0.05 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2pnk h VAL 131 CO -0.07 0.52 0.08 -0.07 0.02 0.00 0.00 177.57 178.04 2pnk h LEU 132 N 0.70 0.80 0.25 2.57 3.38 -1.23 0.77 115.31 122.54 2pnk h LEU 132 Ca 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2pnk h LEU 132 Cb 0.98 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2pnk h LEU 132 CO 0.09 0.82 -0.12 -0.61 0.09 0.00 0.00 178.44 178.72 2pnk h GLN 133 N 0.80 -0.32 -0.44 1.13 4.15 -1.20 0.34 115.11 119.58 2pnk h GLN 133 Ca 0.17 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 2pnk h GLN 133 Cb 0.37 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 2pnk h GLN 133 CO 0.01 -0.10 0.03 -0.07 -1.93 0.00 0.00 178.83 176.77 2pnk h LEU 134 N -0.49 0.66 0.00 -2.39 3.38 -1.07 -2.04 115.31 113.36 2pnk h LEU 134 Ca -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2pnk h LEU 134 Cb 0.37 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2pnk h LEU 134 CO 0.06 0.71 -0.26 0.00 0.09 0.00 0.00 178.44 179.04 2pnk n ALA 135 N -2.47 2.96 -3.57 1.53 0.00 0.24 -4.96 120.51 114.24 2pnk n ALA 135 Ca 0.02 -0.23 -0.20 0.00 0.00 0.00 0.00 53.44 53.03 2pnk n ALA 135 Cb 0.26 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.51 -2.61 -4.30 0.00 5.15 0.01 -4.83 115.26 107.16 2pnk n ASN 136 Ca 0.06 -0.78 -0.35 0.00 -0.60 0.00 0.00 54.58 52.92 2pnk n ASN 136 Cb 0.34 -4.42 -0.14 0.00 -0.53 0.00 0.00 39.78 35.03 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 -3.53 3.35 -0.02 3.44 1.01 -0.58 -0.95 120.40 123.11 2pnk s VAL 137 Ca 0.12 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.62 2pnk s VAL 137 Cb -0.03 -2.55 -0.24 0.00 0.00 0.00 0.00 36.38 33.57 2pnk s VAL 137 CO 0.79 0.38 0.76 0.77 0.00 0.00 0.00 175.10 177.80 2pnk h SER 138 N 8.11 0.10 -3.44 3.32 4.64 -1.22 -3.44 113.55 121.61 2pnk h SER 138 Ca -0.40 -0.17 -0.21 0.00 -0.47 0.00 0.00 61.79 60.53 2pnk h SER 138 Cb 1.15 -0.03 -0.30 0.00 -0.31 0.00 0.00 62.40 62.91 2pnk h SER 138 CO 0.60 1.15 -0.54 -1.81 -0.87 0.00 0.00 176.83 175.37 2pnk s ASP 139 N -6.41 -0.19 -0.11 4.97 1.01 -1.13 -4.73 116.67 110.09 2pnk s ASP 139 Ca -0.06 0.41 0.03 0.00 0.71 0.00 0.00 52.55 53.64 2pnk s ASP 139 Cb 0.08 0.31 -0.00 0.00 1.01 0.00 0.00 42.92 44.32 2pnk s ASP 139 CO 0.82 -0.14 -0.22 -0.69 0.21 0.00 0.00 175.17 175.15 2pnk s VAL 140 N 1.07 2.27 0.57 -1.27 1.01 0.10 -1.12 120.40 123.03 2pnk s VAL 140 Ca -0.08 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.01 2pnk s VAL 140 Cb -0.10 -1.89 0.06 0.00 0.00 0.00 0.00 36.38 34.46 2pnk s VAL 140 CO -0.06 0.55 0.78 -0.69 0.00 0.00 0.00 175.10 175.68 2pnk s VAL 141 N 0.37 2.48 -0.21 2.92 1.01 -0.35 0.03 120.40 126.65 2pnk s VAL 141 Ca -0.17 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 2pnk s VAL 141 Cb -0.17 -2.66 0.08 0.00 0.00 0.00 0.00 36.38 33.63 2pnk s VAL 141 CO 0.08 0.00 0.15 -0.89 0.00 0.00 0.00 175.10 174.44 2pnk s THR 143 N -2.73 -0.18 -0.27 3.92 2.01 -1.08 -1.62 115.64 115.70 2pnk s THR 143 Ca 0.60 -0.27 -0.05 0.00 0.31 0.00 0.00 61.69 62.28 2pnk s THR 143 Cb -0.08 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.74 2pnk s THR 143 CO 0.39 -0.35 0.03 0.20 -0.69 0.00 0.00 174.62 174.20 2pnk s ASN 144 N 2.20 4.81 -0.33 3.53 -0.87 -0.34 -4.94 114.94 119.01 2pnk s ASN 144 Ca 0.05 -0.61 -0.03 0.00 -1.57 0.00 0.00 52.86 50.70 2pnk s ASN 144 Cb -0.16 -1.82 0.06 0.00 -0.02 0.00 0.00 41.25 39.32 2pnk s ASN 144 CO -0.16 -0.13 0.06 -0.62 -2.57 0.00 0.00 177.10 173.68 2pnk s ASP 145 N 1.48 5.02 0.43 -1.22 -1.08 -1.26 -0.83 116.67 119.20 2pnk s ASP 145 Ca 0.03 -1.42 0.29 0.00 -0.52 0.00 0.00 52.55 50.93 2pnk s ASP 145 Cb -0.16 -1.76 1.51 0.00 -1.46 0.00 0.00 42.92 41.05 2pnk s ASP 145 CO 0.00 -0.33 1.89 -0.65 0.52 0.00 0.00 175.17 176.60 2pnk h PRO 146 N 8.03 0.00 0.00 4.34 0.11 -1.98 -2.23 132.00 140.27 2pnk h PRO 146 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2pnk h PRO 146 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2pnk h PRO 146 CO 0.58 0.00 -0.36 1.19 -0.21 0.00 0.00 178.00 179.19 2pnk n PHE 147 N -2.54 0.48 -2.86 0.65 3.72 -1.26 -4.73 117.46 110.92 2pnk n PHE 147 Ca -0.01 0.14 -0.43 0.00 -0.05 0.00 0.00 57.45 57.10 2pnk n PHE 147 Cb 0.09 -0.64 -0.04 0.00 -0.94 0.00 0.00 39.48 37.95 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 -3.93 6.38 0.43 4.37 2.15 -0.84 -4.94 116.67 120.29 2pnk s ASP 148 Ca 0.09 -0.24 0.11 0.00 0.43 0.00 0.00 52.55 52.94 2pnk s ASP 148 Cb 0.15 -2.43 0.98 0.00 -0.30 0.00 0.00 42.92 41.32 2pnk s ASP 148 CO 0.66 -1.14 2.03 0.44 -0.17 0.00 0.00 175.17 176.99 2pnk h ASP 149 N 9.21 0.38 0.52 -0.34 3.32 -1.86 0.12 116.42 127.76 2pnk h ASP 149 Ca -0.26 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 2pnk h ASP 149 Cb 1.08 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 2pnk h ASP 149 CO 1.05 0.25 -0.21 0.78 -1.72 0.00 0.00 179.24 179.40 2pnk h ASN 150 N 0.44 0.00 0.08 6.45 2.35 -1.95 -2.91 115.58 120.03 2pnk h ASN 150 Ca 0.20 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.58 2pnk h ASN 150 Cb 0.26 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 2pnk h ASN 150 CO -0.05 0.21 -2.15 1.21 -1.65 0.00 0.00 177.43 174.99 2pnk n GLU 151 N -3.67 0.72 -0.31 0.81 2.13 -0.57 -4.49 120.64 115.25 2pnk n GLU 151 Ca -0.01 0.23 0.13 0.00 0.66 0.00 0.00 57.16 58.17 2pnk n GLU 151 Cb 0.33 -1.64 0.30 0.00 0.27 0.00 0.00 31.44 30.70 2pnk n GLU 151 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2pnk h ARG 152 N -0.00 0.46 -0.78 5.31 2.43 -0.74 -1.62 114.38 119.45 2pnk h ARG 152 Ca -0.48 -0.03 0.16 0.00 -0.81 0.00 0.00 59.98 58.82 2pnk h ARG 152 Cb 1.96 -0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 31.30 2pnk h ARG 152 CO 0.01 0.31 0.28 0.97 -1.51 0.00 0.00 179.97 180.03 2pnk h ILE 153 N 0.48 0.58 -0.38 1.20 6.09 -1.74 -0.78 117.51 122.96 2pnk h ILE 153 Ca 0.55 -0.13 -0.07 0.00 -1.37 0.00 0.00 64.86 63.85 2pnk h ILE 153 Cb 1.00 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 38.44 2pnk h ILE 153 CO -0.48 0.07 -0.02 0.28 -3.07 0.00 0.00 178.15 174.93 2pnk h SER 154 N 0.39 0.67 -0.29 2.19 0.02 -1.55 -0.09 113.55 114.89 2pnk h SER 154 Ca 0.44 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2pnk h SER 154 Cb 0.73 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2pnk h SER 154 CO -0.46 0.83 0.17 -0.50 -1.14 0.00 0.00 176.83 175.73 2pnk h TRP 155 N 0.49 0.38 0.00 3.45 4.06 -1.47 -1.97 115.95 120.89 2pnk h TRP 155 Ca 0.10 -0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.99 2pnk h TRP 155 Cb 0.50 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.52 2pnk h TRP 155 CO 0.04 0.28 -0.30 -0.07 -3.56 0.00 0.00 178.44 174.82 2pnk h LEU 156 N 0.37 0.00 -0.04 -4.49 3.38 -0.80 -1.12 115.31 112.62 2pnk h LEU 156 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2pnk h LEU 156 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2pnk h LEU 156 CO -0.02 0.30 0.00 -0.62 0.09 0.00 0.00 178.44 178.19 2pnk n GLU 157 N -4.07 0.02 -0.52 1.13 1.02 -0.08 -4.89 120.64 113.25 2pnk n GLU 157 Ca -0.02 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2pnk n GLU 157 Cb 0.36 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 2pnk n GLU 157 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pnk n GLY 158 N 0.47 0.72 3.77 0.62 0.00 -0.42 -5.05 105.19 105.30 2pnk n GLY 158 Ca 0.05 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.66 3.84 0.01 1.61 1.02 -0.75 -5.04 119.74 119.76 2pnk s LYS 159 Ca 0.00 1.98 0.08 0.00 0.02 0.00 0.00 55.97 58.06 2pnk s LYS 159 Cb 0.00 -2.59 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 2pnk s LYS 159 CO 0.00 -0.54 -0.26 -0.65 -0.92 0.00 0.00 175.35 172.98 2pnk s GLN 160 N -2.45 2.00 0.59 1.68 -1.52 -1.26 -4.63 119.66 114.07 2pnk s GLN 160 Ca 0.60 -1.00 -0.19 0.00 -1.95 0.00 0.00 55.36 52.83 2pnk s GLN 160 Cb -0.34 -2.03 -0.04 0.00 -0.22 0.00 0.00 33.01 30.39 2pnk s GLN 160 CO 0.42 0.54 1.19 -1.25 -0.25 0.00 0.00 175.29 175.95 2pnk s PRO 161 N -0.87 3.01 0.85 2.91 0.04 -1.26 -4.99 135.00 134.69 2pnk s PRO 161 Ca 0.11 1.78 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 2pnk s PRO 161 Cb -0.10 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.60 2pnk s PRO 161 CO 0.00 -1.16 1.12 0.16 0.04 0.00 0.00 177.00 177.16 2pnk s ASP 162 N -1.65 3.68 0.26 6.66 1.47 -1.26 -4.86 116.67 120.96 2pnk s ASP 162 Ca 0.76 2.01 0.22 0.00 1.18 0.00 0.00 52.55 56.72 2pnk s ASP 162 Cb -0.29 -2.54 1.01 0.00 -0.34 0.00 0.00 42.92 40.75 2pnk s ASP 162 CO 0.32 -2.59 1.67 -1.54 0.68 0.00 0.00 175.17 173.71 2pnk n SER 163 N -3.89 0.59 -0.01 2.11 3.41 -1.26 -1.23 113.62 113.35 2pnk n SER 163 Ca 0.10 0.69 0.14 0.00 -0.26 0.00 0.00 58.87 59.54 2pnk n SER 163 Cb 0.53 -0.80 0.64 0.00 -0.26 0.00 0.00 64.21 64.31 2pnk n SER 163 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pnk n ARG 164 N -2.20 0.15 -4.93 4.33 1.74 -1.26 -4.64 116.66 109.85 2pnk n ARG 164 Ca 0.01 -0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 2pnk n ARG 164 Cb 0.16 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 29.94 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 -2.85 2.70 0.03 -1.55 0.40 -0.36 0.00 117.98 116.35 2pnk s PHE 165 Ca 0.19 -0.86 0.08 0.00 -0.60 0.00 0.00 56.93 55.74 2pnk s PHE 165 Cb 0.19 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 2pnk s PHE 165 CO 0.52 -0.33 -0.23 -1.01 0.70 0.00 0.00 175.22 174.88 2pnk s HIS 166 N 0.39 2.43 0.33 0.36 3.76 0.10 -4.66 115.29 118.01 2pnk s HIS 166 Ca -0.14 -0.34 -0.18 0.00 -0.15 0.00 0.00 55.06 54.25 2pnk s HIS 166 Cb -0.17 -1.45 -0.09 0.00 1.11 0.00 0.00 32.58 31.98 2pnk s HIS 166 CO 0.06 0.15 0.81 0.00 -0.85 0.00 0.00 174.74 174.91 2pnk s ALA 167 N -0.81 3.25 -0.07 -1.40 0.00 -1.26 -4.36 121.76 117.11 2pnk s ALA 167 Ca 0.12 0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.25 2pnk s ALA 167 Cb -0.10 -2.91 0.04 0.00 0.00 0.00 0.00 23.12 20.15 2pnk s ALA 167 CO 0.03 0.27 0.14 0.00 0.00 0.00 0.00 175.76 176.19 2pnk s ALA 168 N -1.93 -0.22 -0.41 0.00 0.00 -1.26 -1.17 121.76 116.77 2pnk s ALA 168 Ca 0.54 0.63 -0.26 0.00 0.00 0.00 0.00 51.96 52.87 2pnk s ALA 168 Cb -0.12 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.50 2pnk s ALA 168 CO 0.17 -0.24 0.96 -1.17 0.00 0.00 0.00 175.76 175.48 2pnk s LEU 169 N 1.41 3.95 -0.04 0.00 2.96 -0.69 -1.20 118.68 125.07 2pnk s LEU 169 Ca -0.07 0.45 -0.27 0.00 -0.22 0.00 0.00 54.13 54.03 2pnk s LEU 169 Cb -0.12 -3.29 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 2pnk s LEU 169 CO -0.06 -0.97 0.84 -0.60 -1.32 0.00 0.00 176.35 174.24 2pnk s ARG 170 N 3.69 4.49 0.00 1.98 3.52 -0.01 -0.51 118.95 132.10 2pnk s ARG 170 Ca 0.39 1.14 0.00 0.00 -0.13 0.00 0.00 55.73 57.13 2pnk s ARG 170 Cb -0.11 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 2pnk s ARG 170 CO 0.22 -0.01 0.97 1.28 -0.81 0.00 0.00 175.30 176.95 2pnk n LEU 171 N 3.90 1.91 -0.30 -0.88 4.77 0.01 -4.60 117.00 121.82 2pnk n LEU 171 Ca 0.02 -1.91 0.10 0.00 -0.03 0.00 0.00 56.01 54.19 2pnk n LEU 171 Cb 0.51 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.87 2pnk n LEU 171 CO 0.49 0.48 1.08 0.44 -1.33 0.00 0.00 177.39 178.55 2pnk h ASP 172 N 0.00 0.46 -0.53 -1.43 5.19 -1.93 -1.19 116.42 116.99 2pnk h ASP 172 Ca 0.00 0.12 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 2pnk h ASP 172 Cb 0.48 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.03 2pnk h ASP 172 CO 0.00 0.13 0.11 -0.65 -3.12 0.00 0.00 179.24 175.71 2pnk h PRO 173 N 0.53 0.91 -0.19 3.56 0.11 -1.95 -0.17 132.00 134.80 2pnk h PRO 173 Ca 0.51 -0.21 -0.07 0.00 0.11 0.00 0.00 66.00 66.35 2pnk h PRO 173 Cb 0.85 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 2pnk h PRO 173 CO -0.44 0.83 -0.14 1.25 -0.21 0.00 0.00 178.00 179.29 2pnk h LEU 174 N 0.86 0.46 0.11 2.35 5.85 -1.70 -1.97 115.31 121.28 2pnk h LEU 174 Ca 0.18 -0.45 -0.28 0.00 0.84 0.00 0.00 57.88 58.17 2pnk h LEU 174 Cb 0.35 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2pnk h LEU 174 CO 0.00 0.81 -1.37 -0.07 -0.34 0.00 0.00 178.44 177.47 2pnk h LEU 175 N 0.12 0.37 0.00 2.25 3.38 -1.12 -3.23 115.31 117.08 2pnk h LEU 175 Ca 0.04 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2pnk h LEU 175 Cb 0.66 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2pnk h LEU 175 CO 0.04 1.36 -1.95 0.59 0.09 0.00 0.00 178.44 178.57 2pnk n ASN 176 N -3.47 0.28 -2.57 -0.43 3.02 -0.09 -3.75 115.26 108.25 2pnk n ASN 176 Ca -0.12 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.38 2pnk n ASN 176 Cb 1.03 1.92 0.04 0.00 -0.61 0.00 0.00 39.78 42.16 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 -2.23 2.06 -0.34 3.52 1.02 -0.74 -4.92 120.64 119.00 2pnk n GLU 177 Ca -0.05 -3.58 0.05 0.00 -0.02 0.00 0.00 57.16 53.57 2pnk n GLU 177 Cb 0.55 -1.68 0.23 0.00 -0.02 0.00 0.00 31.44 30.52 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 2.42 1.11 -0.74 -0.32 3.20 -1.56 0.68 116.97 121.76 2pnk h TYR 178 Ca -0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2pnk h TYR 178 Cb 1.35 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 2pnk h TYR 178 CO 0.57 0.52 0.37 1.49 -1.64 0.00 0.00 178.16 179.47 2pnk h GLU 179 N 1.04 1.04 0.19 1.82 4.57 -1.90 0.16 114.58 121.51 2pnk h GLU 179 Ca 0.45 -0.13 -0.32 0.00 -1.18 0.00 0.00 59.36 58.18 2pnk h GLU 179 Cb 0.33 -0.20 0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2pnk h GLU 179 CO -0.20 0.79 -1.36 1.96 -1.18 0.00 0.00 179.01 179.02 2pnk h GLN 180 N 1.04 0.55 0.00 1.92 7.50 -1.70 -3.35 115.11 121.07 2pnk h GLN 180 Ca 0.26 -0.84 -0.09 0.00 0.50 0.00 0.00 58.65 58.47 2pnk h GLN 180 Cb 0.08 0.30 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 2pnk h GLN 180 CO -0.04 1.39 -0.44 1.15 -1.50 0.00 0.00 178.83 179.40 2pnk h THR 181 N 0.19 1.20 -0.98 -0.54 2.02 -0.46 -3.25 112.91 111.10 2pnk h THR 181 Ca -0.22 -1.56 0.28 0.00 0.77 0.00 0.00 66.41 65.68 2pnk h THR 181 Cb 2.05 1.87 -0.18 0.00 -1.74 0.00 0.00 68.15 70.14 2pnk h THR 181 CO 0.25 0.43 0.04 0.29 0.37 0.00 0.00 175.52 176.91 2pnk n LYS 182 N -3.86 -0.08 0.06 6.66 5.02 0.54 -0.89 118.16 125.62 2pnk n LYS 182 Ca -0.01 1.46 -0.04 0.00 -2.02 0.00 0.00 58.31 57.70 2pnk n LYS 182 Cb 0.49 -2.34 0.18 0.00 -0.02 0.00 0.00 35.03 33.34 2pnk n LYS 182 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2pnk h HIS 183 N 0.00 0.39 -0.18 2.13 3.86 -1.81 -1.40 115.15 118.14 2pnk h HIS 183 Ca 0.61 -0.11 -0.21 0.00 -1.16 0.00 0.00 60.37 59.50 2pnk h HIS 183 Cb 1.27 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 29.66 2pnk h HIS 183 CO -0.48 0.70 -0.70 -0.09 0.86 0.00 0.00 177.93 178.22 2pnk h ARG 184 N 0.28 0.76 -0.78 2.45 2.43 -1.21 -1.99 114.38 116.32 2pnk h ARG 184 Ca 0.02 -0.58 0.09 0.00 -0.81 0.00 0.00 59.98 58.71 2pnk h ARG 184 Cb 0.85 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.44 2pnk h ARG 184 CO 0.07 1.19 0.43 -0.07 -1.51 0.00 0.00 179.97 180.08 2pnk h LEU 185 N 0.54 0.61 -0.38 3.80 3.38 -0.94 -1.72 115.31 120.60 2pnk h LEU 185 Ca -0.03 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2pnk h LEU 185 Cb 1.32 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2pnk h LEU 185 CO 0.14 0.36 0.15 0.03 0.09 0.00 0.00 178.44 179.21 2pnk h ARG 186 N 0.74 0.58 -0.94 1.13 3.08 -1.12 0.27 114.38 118.13 2pnk h ARG 186 Ca 0.37 -0.11 0.21 0.00 0.07 0.00 0.00 59.98 60.52 2pnk h ARG 186 Cb 0.33 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.21 2pnk h ARG 186 CO -0.24 0.55 0.61 -0.44 -1.07 0.00 0.00 179.97 179.39 2pnk h ASP 187 N 0.47 0.49 -0.11 7.04 3.32 -0.90 0.32 116.42 127.05 2pnk h ASP 187 Ca 0.13 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2pnk h ASP 187 Cb 0.20 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2pnk h ASP 187 CO -0.01 0.18 0.00 0.79 -1.72 0.00 0.00 179.24 178.48 2pnk n TRP 188 N -4.56 0.13 -0.58 4.55 8.01 -0.69 -4.91 117.44 119.40 2pnk n TRP 188 Ca 0.21 -0.07 0.00 0.00 -1.31 0.00 0.00 57.50 56.33 2pnk n TRP 188 Cb 0.69 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.99 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 1.01 0.71 3.44 6.99 0.00 0.10 -5.02 105.19 112.43 2pnk n GLY 189 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.07 2.72 -1.42 1.61 2.02 0.00 -4.95 117.35 115.26 2pnk s TYR 190 Ca 0.00 -0.62 -0.11 0.00 -0.37 0.00 0.00 57.07 55.97 2pnk s TYR 190 Cb 0.00 -4.26 0.06 0.00 -0.40 0.00 0.00 41.96 37.37 2pnk s TYR 190 CO 0.00 -1.60 2.25 1.63 -1.57 0.00 0.00 175.55 176.26 2pnk n LYS 191 N 7.51 3.34 -2.12 -0.62 4.76 -1.26 -3.33 118.16 126.44 2pnk n LYS 191 Ca -0.04 -2.87 -0.37 0.00 -2.87 0.00 0.00 58.31 52.15 2pnk n LYS 191 Cb 0.45 -3.06 0.01 0.00 -1.84 0.00 0.00 35.03 30.59 2pnk n LYS 191 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2pnk s VAL 192 N 1.88 2.82 0.50 -0.18 -7.23 -1.26 -4.72 120.40 112.21 2pnk s VAL 192 Ca 0.49 0.61 -0.00 0.00 -1.81 0.00 0.00 61.98 61.26 2pnk s VAL 192 Cb 0.14 -3.30 0.01 0.00 0.56 0.00 0.00 36.38 33.78 2pnk s VAL 192 CO -0.06 -0.02 0.74 0.20 -0.31 0.00 0.00 175.10 175.65 2pnk s ASN 193 N -1.27 5.62 0.21 4.85 0.01 -1.26 -4.98 114.94 118.12 2pnk s ASN 193 Ca 0.66 0.26 -0.08 0.00 -0.71 0.00 0.00 52.86 53.00 2pnk s ASN 193 Cb -0.32 -1.36 0.15 0.00 0.41 0.00 0.00 41.25 40.14 2pnk s ASN 193 CO 0.38 -0.89 1.75 0.44 -1.51 0.00 0.00 177.10 177.27 2pnk h ASP 194 N 0.21 1.08 -3.46 -1.22 3.32 -2.03 -3.43 116.42 110.90 2pnk h ASP 194 Ca -0.45 -0.20 -0.51 0.00 0.02 0.00 0.00 57.03 55.89 2pnk h ASP 194 Cb 1.27 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2pnk h ASP 194 CO 0.56 1.00 -0.03 -1.61 -1.72 0.00 0.00 179.24 177.45 2pnk s GLU 195 N -5.42 3.74 -0.98 3.56 0.41 -1.26 -5.01 118.70 113.73 2pnk s GLU 195 Ca -0.12 0.26 -0.22 0.00 -0.41 0.00 0.00 54.97 54.49 2pnk s GLU 195 Cb 0.15 -2.54 0.08 0.00 -1.78 0.00 0.00 34.13 30.04 2pnk s GLU 195 CO 0.84 0.13 1.34 -0.46 -0.49 0.00 0.00 175.26 176.63 2pnk s TRP 196 N -2.14 2.71 0.00 1.61 -0.11 -1.26 -4.66 118.94 115.09 2pnk s TRP 196 Ca 0.48 -1.00 0.00 0.00 1.22 0.00 0.00 56.10 56.80 2pnk s TRP 196 Cb -0.11 -4.56 0.00 0.00 -1.50 0.00 0.00 33.47 27.30 2pnk s TRP 196 CO 0.28 -1.80 0.00 0.27 -4.62 0.00 0.00 176.95 171.08 2pnk n ASN 197 N 8.15 0.99 -0.30 5.86 0.23 -1.26 -4.99 115.26 123.94 2pnk n ASN 197 Ca 0.29 -0.97 0.01 0.00 -0.53 0.00 0.00 54.58 53.39 2pnk n ASN 197 Cb 0.50 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.40 2pnk n ASN 197 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2pnk h GLU 198 N 0.00 1.10 -0.77 -3.83 -0.00 -1.99 -1.22 114.58 107.87 2pnk h GLU 198 Ca 0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 59.36 59.25 2pnk h GLU 198 Cb 0.00 -0.25 -0.03 0.00 -0.00 0.00 0.00 28.75 28.47 2pnk h GLU 198 CO 0.00 0.73 0.32 0.78 -0.00 0.00 0.00 179.01 180.84 2pnk h GLY 199 N 1.14 1.21 1.01 1.06 0.00 -1.95 -0.67 103.07 104.86 2pnk h GLY 199 Ca 0.34 -0.63 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 2pnk h GLY 199 CO -0.09 0.60 -0.37 1.76 0.00 0.00 0.00 176.54 178.43 2pnk h SER 200 N 1.11 0.80 -0.05 0.19 0.02 -1.62 -1.72 113.55 112.28 2pnk h SER 200 Ca 0.26 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2pnk h SER 200 Cb 0.18 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 2pnk h SER 200 CO -0.03 1.15 0.02 0.40 -1.14 0.00 0.00 176.83 177.23 2pnk h ILE 201 N 0.48 0.99 -0.42 3.27 2.04 -1.17 -0.96 117.51 121.74 2pnk h ILE 201 Ca 0.03 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2pnk h ILE 201 Cb 0.96 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2pnk h ILE 201 CO 0.09 0.01 0.26 -0.61 0.00 0.00 0.00 178.15 177.89 2pnk h GLN 202 N 0.05 0.56 -0.05 2.37 4.15 -1.07 -1.55 115.11 119.57 2pnk h GLN 202 Ca 0.02 -0.05 -0.15 0.00 0.77 0.00 0.00 58.65 59.25 2pnk h GLN 202 Cb 0.01 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 2pnk h GLN 202 CO -0.02 0.41 -0.63 0.93 -1.93 0.00 0.00 178.83 177.58 2pnk h GLU 203 N 0.55 0.20 -0.41 1.69 4.39 -1.15 -1.26 114.58 118.59 2pnk h GLU 203 Ca 0.15 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 2pnk h GLU 203 Cb -0.02 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2pnk h GLU 203 CO -0.03 0.77 -0.00 0.28 -1.16 0.00 0.00 179.01 178.87 2pnk h VAL 204 N 0.15 1.26 -0.70 3.13 2.07 -1.00 -2.00 116.25 119.15 2pnk h VAL 204 Ca -0.01 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.53 2pnk h VAL 204 Cb 1.14 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 2pnk h VAL 204 CO 0.10 0.35 0.41 0.11 0.02 0.00 0.00 177.57 178.56 2pnk h LYS 205 N 0.57 0.75 -0.81 1.57 1.57 -1.08 -1.34 116.57 117.81 2pnk h LYS 205 Ca 0.12 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2pnk h LYS 205 Cb 0.49 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2pnk h LYS 205 CO 0.02 0.50 0.53 -0.09 -0.57 0.00 0.00 179.45 179.84 2pnk h ARG 206 N 0.78 1.06 -0.05 3.15 2.43 -1.05 0.15 114.38 120.85 2pnk h ARG 206 Ca 0.30 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2pnk h ARG 206 Cb 0.13 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 2pnk h ARG 206 CO -0.16 0.70 -0.10 0.35 -1.51 0.00 0.00 179.97 179.25 2pnk h PHE 207 N 1.09 -0.25 -0.07 2.20 3.57 -0.69 0.15 116.94 122.94 2pnk h PHE 207 Ca 0.30 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.83 2pnk h PHE 207 Cb -0.12 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2pnk h PHE 207 CO -0.02 -0.15 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.77 2pnk h LEU 208 N -0.15 -0.22 -0.90 0.59 3.38 -0.74 -2.40 115.31 114.87 2pnk h LEU 208 Ca 0.05 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2pnk h LEU 208 Cb 0.22 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2pnk h LEU 208 CO -0.14 -0.10 0.04 0.71 0.09 0.00 0.00 178.44 179.04 2pnk h THR 209 N -0.09 1.24 -0.39 0.22 1.35 -0.54 0.44 112.91 115.15 2pnk h THR 209 Ca 0.05 -0.97 0.05 0.00 -0.55 0.00 0.00 66.41 64.99 2pnk h THR 209 Cb 0.17 0.80 -0.05 0.00 -1.73 0.00 0.00 68.15 67.34 2pnk h THR 209 CO -0.13 0.35 0.11 0.44 -0.25 0.00 0.00 175.52 176.04 2pnk h ASP 210 N 0.80 0.08 0.36 5.36 3.32 -0.43 -0.58 116.42 125.32 2pnk h ASP 210 Ca 0.16 0.05 -0.19 0.00 0.02 0.00 0.00 57.03 57.08 2pnk h ASP 210 Cb 0.42 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2pnk h ASP 210 CO 0.01 0.08 -0.78 -0.50 -1.72 0.00 0.00 179.24 176.33 2pnk h TRP 211 N 0.25 0.46 -0.34 4.55 4.06 -0.97 -1.91 115.95 122.06 2pnk h TRP 211 Ca 0.18 -0.22 0.04 0.00 2.06 0.00 0.00 58.89 60.95 2pnk h TRP 211 Cb 0.19 -0.07 -0.04 0.00 -1.00 0.00 0.00 29.16 28.25 2pnk h TRP 211 CO -0.17 0.99 0.12 0.82 -3.56 0.00 0.00 178.44 176.63 2pnk h ILE 212 N 0.21 0.90 -0.70 1.49 2.04 -0.77 -2.94 117.51 117.75 2pnk h ILE 212 Ca -0.04 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2pnk h ILE 212 Cb 1.37 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 2pnk h ILE 212 CO 0.13 0.05 0.45 -0.33 0.00 0.00 0.00 178.15 178.45 2pnk h GLU 213 N 0.26 0.86 0.00 2.37 5.08 -0.92 0.37 114.58 122.60 2pnk h GLU 213 Ca 0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2pnk h GLU 213 Cb 0.13 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2pnk h GLU 213 CO -0.16 0.57 0.00 -2.13 -1.00 0.00 0.00 179.01 176.29 2pnk n ARG 214 N -4.64 0.53 0.00 2.33 3.00 -0.73 -5.04 116.66 112.11 2pnk n ARG 214 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 2pnk n ARG 214 Cb 0.06 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.20 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 -0.82 0.00 -4.77 6.15 2.03 0.12 -5.10 116.55 114.15 2pnk n ASP 216 Ca 0.08 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.01 2pnk n ASP 216 Cb 0.04 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.43 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 3.87 0.28 -0.67 0.04 -1.26 -4.61 135.00 132.65 2pnk s PRO 217 Ca 0.00 1.88 0.15 0.00 0.04 0.00 0.00 61.00 63.07 2pnk s PRO 217 Cb 0.00 -2.55 0.11 0.00 0.04 0.00 0.00 34.50 32.10 2pnk s PRO 217 CO 0.00 -0.49 1.46 -0.39 0.04 0.00 0.00 177.00 177.62 2pnk h VAL 218 N 2.10 0.91 0.00 -0.36 -1.51 -1.52 -3.48 116.25 112.40 2pnk h VAL 218 Ca -0.49 -2.23 0.00 0.00 -1.23 0.00 0.00 66.70 62.75 2pnk h VAL 218 Cb 1.25 2.40 0.00 0.00 -2.13 0.00 0.00 31.29 32.81 2pnk h VAL 218 CO 0.61 0.51 0.00 0.00 -1.23 0.00 0.00 177.57 177.46 2pnk n TYR 219 N -3.26 0.00 -3.65 5.19 0.18 -1.26 -4.29 117.16 110.07 2pnk n TYR 219 Ca 0.02 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.78 2pnk n TYR 219 Cb 0.73 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.65 2pnk n TYR 219 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2pnk s ALA 221 N -1.15 -2.16 -0.08 -3.48 0.00 0.33 -1.71 121.76 113.52 2pnk s ALA 221 Ca 0.00 1.92 -0.07 0.00 0.00 0.00 0.00 51.96 53.81 2pnk s ALA 221 Cb 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.87 2pnk s ALA 221 CO 0.00 -0.32 0.21 0.54 0.00 0.00 0.00 175.76 176.19 2pnk s VAL 222 N -1.28 -0.00 -0.10 0.00 0.11 -0.43 -0.81 120.40 117.89 2pnk s VAL 222 Ca 0.10 0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 59.04 2pnk s VAL 222 Cb -0.01 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 2pnk s VAL 222 CO -0.07 0.00 0.27 -0.44 -3.33 0.00 0.00 175.10 171.54 2pnk s SER 223 N 0.17 6.53 0.06 3.54 0.01 -1.26 -4.76 113.70 117.99 2pnk s SER 223 Ca -0.00 0.63 0.04 0.00 1.31 0.00 0.00 55.95 57.93 2pnk s SER 223 Cb -0.02 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 2pnk s SER 223 CO -0.00 0.27 -0.12 -0.76 0.41 0.00 0.00 173.24 173.04 2pnk s LEU 224 N -0.49 2.28 0.77 2.44 1.43 -1.26 -4.94 118.68 118.90 2pnk s LEU 224 Ca 0.18 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 2pnk s LEU 224 Cb -0.14 -0.41 0.06 0.00 0.03 0.00 0.00 46.19 45.73 2pnk s LEU 224 CO 0.07 -0.12 1.14 -2.16 0.23 0.00 0.00 176.35 175.51 2pnk s PRO 225 N -1.73 2.25 0.56 1.29 0.04 -1.25 -1.09 135.00 135.06 2pnk s PRO 225 Ca -0.04 0.19 0.25 0.00 0.04 0.00 0.00 61.00 61.44 2pnk s PRO 225 Cb -0.10 -1.99 1.53 0.00 0.04 0.00 0.00 34.50 33.99 2pnk s PRO 225 CO 0.02 -1.40 2.10 -1.35 0.04 0.00 0.00 177.00 176.41 2pnk h PRO 226 N -0.90 0.00 -0.10 0.56 0.11 -1.76 -1.34 132.00 128.56 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 -4.10 0.13 -1.64 -1.15 -2.24 -1.26 -3.83 114.28 100.19 2pnk n THR 227 Ca 0.02 -0.14 -0.47 0.00 -2.27 0.00 0.00 64.05 61.19 2pnk n THR 227 Cb 0.31 0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.22 1.97 -3.96 4.78 7.35 -0.51 -5.00 117.46 121.87 2pnk n PHE 228 Ca 0.05 0.44 -0.10 0.00 -0.76 0.00 0.00 57.45 57.09 2pnk n PHE 228 Cb 0.10 -2.45 -0.12 0.00 0.35 0.00 0.00 39.48 37.37 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 0.55 0.20 -0.24 -2.13 0.01 -1.26 -4.70 113.70 106.13 2pnk s SER 229 Ca 0.77 -0.39 -0.18 0.00 1.31 0.00 0.00 55.95 57.45 2pnk s SER 229 Cb -0.75 0.08 0.07 0.00 0.21 0.00 0.00 66.02 65.62 2pnk s SER 229 CO 0.44 -0.23 0.62 0.12 0.41 0.00 0.00 173.24 174.60 2pnk s PHE 230 N -1.14 -0.80 0.94 2.43 2.19 -1.26 -4.41 117.98 115.93 2pnk s PHE 230 Ca -0.12 1.78 -0.11 0.00 0.33 0.00 0.00 56.93 58.80 2pnk s PHE 230 Cb -0.08 0.37 0.16 0.00 -1.31 0.00 0.00 43.02 42.16 2pnk s PHE 230 CO -0.01 -0.40 1.10 -2.14 1.83 0.00 0.00 175.22 175.61 2pnk s PRO 231 N 0.92 0.82 -0.28 10.12 0.02 -1.26 -4.25 135.00 141.09 2pnk s PRO 231 Ca -0.05 1.20 -0.21 0.00 0.02 0.00 0.00 61.00 61.96 2pnk s PRO 231 Cb -0.05 -1.73 0.09 0.00 0.02 0.00 0.00 34.50 32.82 2pnk s PRO 231 CO -0.08 -2.65 0.77 -2.00 -0.33 0.00 0.00 177.00 172.70 2pnk s GLU 232 N -4.70 0.72 -1.24 5.54 2.12 -1.26 -5.06 118.70 114.81 2pnk s GLU 232 Ca 0.66 1.01 -0.12 0.00 0.36 0.00 0.00 54.97 56.88 2pnk s GLU 232 Cb -0.21 0.27 0.17 0.00 0.26 0.00 0.00 34.13 34.61 2pnk s GLU 232 CO 0.59 -0.11 1.63 0.39 -0.54 0.00 0.00 175.26 177.22 2pnk n GLU 233 N 3.29 3.48 -4.28 4.30 -0.58 -1.26 -3.81 120.64 121.79 2pnk n GLU 233 Ca -0.16 -3.71 -0.16 0.00 -0.42 0.00 0.00 57.16 52.71 2pnk n GLU 233 Cb 0.57 -2.99 -0.10 0.00 -0.57 0.00 0.00 31.44 28.35 2pnk n GLU 233 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2pnk s SER 234 N 1.96 0.97 0.19 1.62 1.04 -1.26 -5.01 113.70 113.21 2pnk s SER 234 Ca 0.41 -1.45 -0.11 0.00 0.48 0.00 0.00 55.95 55.28 2pnk s SER 234 Cb 0.03 0.31 0.12 0.00 0.10 0.00 0.00 66.02 66.58 2pnk s SER 234 CO 0.00 -0.83 1.80 0.78 0.98 0.00 0.00 173.24 175.98 2pnk h ASN 235 N 2.40 0.85 -0.11 7.02 2.35 -1.91 -2.01 115.58 124.16 2pnk h ASN 235 Ca -0.36 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.31 2pnk h ASN 235 Cb 1.25 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 2pnk h ASN 235 CO 0.55 0.70 0.01 -0.09 -1.65 0.00 0.00 177.43 176.95 2pnk h ARG 236 N 0.93 0.05 -0.78 0.81 2.43 -1.91 0.14 114.38 116.05 2pnk h ARG 236 Ca 0.24 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2pnk h ARG 236 Cb 0.04 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2pnk h ARG 236 CO -0.04 0.03 0.31 0.78 -1.51 0.00 0.00 179.97 179.55 2pnk h GLY 237 N 0.05 1.25 1.20 2.80 0.00 -1.65 -1.68 103.07 105.04 2pnk h GLY 237 Ca 0.05 -0.68 -0.19 0.00 0.00 0.00 0.00 47.33 46.51 2pnk h GLY 237 CO -0.07 0.64 -0.59 3.21 0.00 0.00 0.00 176.54 179.73 2pnk h ARG 238 N 1.13 0.83 -0.61 4.80 3.08 -1.25 -2.09 114.38 120.26 2pnk h ARG 238 Ca 0.26 -0.55 -0.07 0.00 0.07 0.00 0.00 59.98 59.69 2pnk h ARG 238 Cb 0.21 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2pnk h ARG 238 CO -0.02 1.18 0.09 0.82 -1.07 0.00 0.00 179.97 180.97 2pnk h ILE 239 N 0.62 1.26 -0.21 2.04 2.04 -0.77 0.67 117.51 123.16 2pnk h ILE 239 Ca 0.00 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 2pnk h ILE 239 Cb 1.20 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2pnk h ILE 239 CO 0.13 0.37 0.07 0.40 0.00 0.00 0.00 178.15 179.12 2pnk h ILE 240 N 0.92 1.19 0.21 -0.67 2.04 -1.32 -0.12 117.51 119.76 2pnk h ILE 240 Ca 0.18 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 2pnk h ILE 240 Cb 0.43 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2pnk h ILE 240 CO 0.01 0.18 -0.10 -0.09 0.00 0.00 0.00 178.15 178.16 2pnk h ARG 241 N 0.17 -0.27 0.00 2.37 2.43 -1.25 -1.79 114.38 116.04 2pnk h ARG 241 Ca 0.07 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 2pnk h ARG 241 Cb 0.22 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2pnk h ARG 241 CO -0.00 -0.06 -1.25 -0.44 -1.51 0.00 0.00 179.97 176.71 2pnk h ASP 242 N -0.44 0.00 0.00 -3.80 3.32 -0.90 -3.41 116.42 111.19 2pnk h ASP 242 Ca -0.03 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2pnk h ASP 242 Cb 0.34 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 2pnk h ASP 242 CO 0.05 0.45 -0.46 0.00 -1.72 0.00 0.00 179.24 177.55 2pnk h LEU 244 N -0.18 -0.11 -0.16 0.00 6.46 -1.25 -2.26 115.31 117.82 2pnk h LEU 244 Ca -0.03 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.41 2pnk h LEU 244 Cb 0.42 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 2pnk h LEU 244 CO -0.02 0.27 0.08 -0.07 -0.62 0.00 0.00 178.44 178.08 2pnk h LEU 245 N -0.51 0.21 -0.53 2.25 3.38 -1.56 0.16 115.31 118.71 2pnk h LEU 245 Ca -0.01 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2pnk h LEU 245 Cb 0.42 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2pnk h LEU 245 CO 0.02 0.26 0.31 -0.65 0.09 0.00 0.00 178.44 178.47 2pnk h PRO 246 N 0.14 0.60 -0.41 1.13 0.11 -1.78 -0.25 132.00 131.53 2pnk h PRO 246 Ca 0.05 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 2pnk h PRO 246 Cb 0.11 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 2pnk h PRO 246 CO -0.01 0.40 0.20 0.28 -0.21 0.00 0.00 178.00 178.66 2pnk h VAL 247 N 0.62 1.18 -0.83 3.15 2.07 -1.23 -1.07 116.25 120.13 2pnk h VAL 247 Ca 0.21 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2pnk h VAL 247 Cb 0.03 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2pnk h VAL 247 CO -0.10 0.19 0.45 0.00 0.02 0.00 0.00 177.57 178.13 2pnk h ALA 248 N 1.05 1.06 -0.16 1.67 0.00 -0.44 -1.86 119.26 120.58 2pnk h ALA 248 Ca 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2pnk h ALA 248 Cb 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2pnk h ALA 248 CO -0.02 0.57 -0.01 1.49 0.00 0.00 0.00 179.25 181.29 2pnk h GLU 249 N 1.16 0.29 -0.76 0.00 4.81 -0.88 0.29 114.58 119.48 2pnk h GLU 249 Ca 0.29 -0.10 0.07 0.00 -0.13 0.00 0.00 59.36 59.50 2pnk h GLU 249 Cb 0.03 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 2pnk h GLU 249 CO -0.05 0.52 0.43 -0.22 -0.73 0.00 0.00 179.01 178.97 2pnk h LYS 250 N 0.02 0.75 -0.09 1.92 3.64 -0.89 -1.81 116.57 120.11 2pnk h LYS 250 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2pnk h LYS 250 Cb 0.40 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2pnk h LYS 250 CO 0.01 0.49 0.00 0.72 -2.27 0.00 0.00 179.45 178.40 2pnk n HIS 251 N -4.75 0.09 -3.70 1.91 8.25 -0.73 -4.95 115.22 111.34 2pnk n HIS 251 Ca 0.11 -0.04 -0.22 0.00 -0.26 0.00 0.00 57.72 57.31 2pnk n HIS 251 Cb 0.22 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.36 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 0.67 -1.65 -4.44 0.41 5.15 -0.10 -4.99 115.26 110.31 2pnk n ASN 252 Ca 0.17 -0.80 -0.34 0.00 -0.60 0.00 0.00 54.58 53.01 2pnk n ASN 252 Cb 0.45 -4.13 -0.13 0.00 -0.53 0.00 0.00 39.78 35.44 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 -3.61 3.67 0.73 -1.44 1.01 -0.12 -4.88 121.20 116.57 2pnk s ILE 253 Ca 0.08 -0.43 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 2pnk s ILE 253 Cb -0.04 -2.61 0.04 0.00 0.01 0.00 0.00 42.46 39.86 2pnk s ILE 253 CO 0.81 0.48 1.13 -2.84 0.00 0.00 0.00 174.94 174.52 2pnk s PRO 254 N 0.58 2.32 -0.28 2.79 0.02 -1.26 -4.62 135.00 134.55 2pnk s PRO 254 Ca -0.04 1.43 -0.07 0.00 0.02 0.00 0.00 61.00 62.35 2pnk s PRO 254 Cb -0.15 -1.89 -0.00 0.00 0.02 0.00 0.00 34.50 32.49 2pnk s PRO 254 CO 0.03 -1.63 0.07 0.12 -0.33 0.00 0.00 177.00 175.25 2pnk s PHE 255 N -2.44 3.12 0.38 6.54 5.36 -0.61 -4.57 117.98 125.76 2pnk s PHE 255 Ca 0.67 -0.86 0.03 0.00 -0.96 0.00 0.00 56.93 55.80 2pnk s PHE 255 Cb -0.22 -2.24 -0.01 0.00 -0.34 0.00 0.00 43.02 40.21 2pnk s PHE 255 CO 0.48 -0.53 0.56 0.00 -1.46 0.00 0.00 175.22 174.27 2pnk s ALA 256 N 1.52 3.90 -0.30 11.12 0.00 -1.26 -1.11 121.76 135.63 2pnk s ALA 256 Ca 0.04 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 50.62 2pnk s ALA 256 Cb -0.16 -1.96 0.20 0.00 0.00 0.00 0.00 23.12 21.19 2pnk s ALA 256 CO 0.02 -0.16 1.39 0.42 0.00 0.00 0.00 175.76 177.43 2pnk s ILE 259 N -2.35 0.00 0.00 0.00 1.01 -0.47 -1.31 121.20 118.08 2pnk s ILE 259 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.09 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 0.35 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2pnk n GLY 260 N 2.15 1.07 3.68 6.18 0.00 -0.25 -0.80 105.19 117.21 2pnk n GLY 260 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.88 4.78 -0.53 1.61 0.11 -1.00 -1.50 120.40 121.98 2pnk s VAL 261 Ca 0.00 2.02 -0.17 0.00 -2.93 0.00 0.00 61.98 60.90 2pnk s VAL 261 Cb 0.00 -4.30 0.10 0.00 -1.53 0.00 0.00 36.38 30.65 2pnk s VAL 261 CO 0.00 -0.01 0.53 -0.54 -3.33 0.00 0.00 175.10 171.74 2pnk s LYS 262 N 2.14 3.01 0.26 1.54 1.02 -0.21 -3.94 119.74 123.57 2pnk s LYS 262 Ca 0.47 -1.45 -0.29 0.00 0.02 0.00 0.00 55.97 54.72 2pnk s LYS 262 Cb -0.18 -4.23 -0.09 0.00 -0.52 0.00 0.00 37.83 32.81 2pnk s LYS 262 CO 0.16 -1.28 1.22 0.15 -0.92 0.00 0.00 175.35 174.69 2pnk s LYS 263 N 1.94 4.48 -1.26 1.68 -0.14 -1.26 -0.40 119.74 124.77 2pnk s LYS 263 Ca 0.06 2.00 -0.04 0.00 -1.36 0.00 0.00 55.97 56.63 2pnk s LYS 263 Cb -0.26 -3.16 -0.01 0.00 -1.68 0.00 0.00 37.83 32.72 2pnk s LYS 263 CO 0.06 -0.06 0.72 0.54 -0.76 0.00 0.00 175.35 175.85 2pnk n ARG 264 N 1.58 -4.06 0.24 1.68 5.12 -1.25 -4.88 116.66 115.09 2pnk n ARG 264 Ca 0.02 0.61 0.15 0.00 -1.93 0.00 0.00 57.85 56.69 2pnk n ARG 264 Cb 0.43 -5.05 0.46 0.00 -1.16 0.00 0.00 32.46 27.15 2pnk n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 2pnk h VAL 265 N -1.80 0.00 -2.63 1.55 -1.51 -1.52 -3.34 116.25 107.00 2pnk h VAL 265 Ca -0.62 -0.69 -0.60 0.00 -1.23 0.00 0.00 66.70 63.56 2pnk h VAL 265 Cb 1.36 1.68 -0.39 0.00 -2.13 0.00 0.00 31.29 31.80 2pnk h VAL 265 CO 0.54 0.00 -0.83 -2.28 -1.23 0.00 0.00 177.57 173.77 2pnk s HIS 266 N -3.44 1.97 0.43 5.19 5.65 -1.00 -5.02 115.29 119.06 2pnk s HIS 266 Ca 0.04 -2.67 0.15 0.00 0.25 0.00 0.00 55.06 52.83 2pnk s HIS 266 Cb 0.07 -1.56 1.04 0.00 -1.18 0.00 0.00 32.58 30.95 2pnk s HIS 266 CO 0.59 -0.73 1.94 -1.35 -0.65 0.00 0.00 174.74 174.54 2pnk h PRO 267 N 5.60 0.41 -0.04 2.88 0.11 -1.85 -1.60 132.00 137.51 2pnk h PRO 267 Ca 0.22 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.31 2pnk h PRO 267 Cb 0.86 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 2pnk h PRO 267 CO 0.49 0.27 0.04 0.00 -0.21 0.00 0.00 178.00 178.59 2pnk h ALA 268 N 1.66 1.72 -0.00 -0.75 0.00 -1.95 -1.47 119.26 118.46 2pnk h ALA 268 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2pnk h ALA 268 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2pnk h ALA 268 CO -0.10 -0.07 -0.03 1.28 0.00 0.00 0.00 179.25 180.33 2pnk n LEU 269 N -4.03 0.38 0.00 0.00 4.77 -0.60 -4.96 117.00 112.56 2pnk n LEU 269 Ca -0.02 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2pnk n LEU 269 Cb 0.14 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2pnk n LEU 269 CO 0.29 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2pnk n GLY 270 N 1.14 3.55 0.32 -0.72 0.00 -0.56 -1.67 105.19 107.25 2pnk n GLY 270 Ca 0.19 -0.09 0.21 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.08 1.61 3.32 -1.94 -0.68 116.42 118.65 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 -2.10 2.55 1.05 3.45 0.00 -0.67 -4.22 120.51 120.56 2pnk n ALA 272 Ca -0.02 -0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.29 2pnk n ALA 272 Cb 0.12 -1.15 0.14 0.00 0.00 0.00 0.00 19.45 18.55 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 0.84 0.83 3.88 0.00 0.00 -0.26 -4.88 105.19 105.61 2pnk n GLY 273 Ca 0.11 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.03 6.53 0.00 1.61 1.01 -1.26 -1.72 116.67 120.80 2pnk s ASP 274 Ca 0.28 0.96 0.00 0.00 0.71 0.00 0.00 52.55 54.50 2pnk s ASP 274 Cb 0.20 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.88 2pnk s ASP 274 CO 0.32 -0.26 0.00 0.33 0.21 0.00 0.00 175.17 175.77 2pnk n PHE 275 N -0.93 0.00 -3.98 4.23 7.35 0.46 -4.91 117.46 119.67 2pnk n PHE 275 Ca 0.01 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.61 2pnk n PHE 275 Cb 0.54 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.26 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 -1.13 0.12 0.03 -2.13 0.11 -1.26 -1.04 120.40 115.09 2pnk s VAL 276 Ca 0.00 -0.97 -0.14 0.00 -2.93 0.00 0.00 61.98 57.94 2pnk s VAL 276 Cb 0.00 -0.38 0.02 0.00 -1.53 0.00 0.00 36.38 34.49 2pnk s VAL 276 CO 0.00 -0.54 0.30 -0.83 -3.33 0.00 0.00 175.10 170.70 2pnk s GLY 277 N -1.58 -0.12 0.11 6.54 0.00 -0.57 -4.81 107.32 106.88 2pnk s GLY 277 Ca -0.14 0.05 -0.30 0.00 0.00 0.00 0.00 44.72 44.33 2pnk s GLY 277 CO -0.02 -0.16 1.21 1.25 0.00 0.00 0.00 173.10 175.39 2pnk s LYS 278 N -2.31 4.45 0.23 2.90 2.20 -1.26 -4.46 119.74 121.49 2pnk s LYS 278 Ca -0.07 1.83 0.03 0.00 -0.36 0.00 0.00 55.97 57.40 2pnk s LYS 278 Cb -0.02 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 2pnk s LYS 278 CO -0.02 -0.21 0.38 0.00 -0.36 0.00 0.00 175.35 175.15 2pnk s ALA 279 N 0.69 3.88 1.00 3.13 0.00 -1.26 -4.78 121.76 124.42 2pnk s ALA 279 Ca 0.57 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2pnk s ALA 279 Cb -0.31 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 20.96 2pnk s ALA 279 CO 0.32 0.28 0.00 0.45 0.00 0.00 0.00 175.76 176.81 2pnk n SER 280 N -1.18 0.00 0.00 0.00 2.88 -1.25 -4.97 113.62 109.09 2pnk n SER 280 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2pnk n SER 280 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.07 -3.46 8.00 -1.26 -4.72 116.55 115.04 2pnk n ASP 282 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 2pnk n ASP 282 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 2pnk n ASP 282 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2pnk h GLY 283 N 0.00 0.86 0.79 0.44 0.00 -1.84 -0.93 103.07 102.39 2pnk h GLY 283 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 47.33 46.37 2pnk h GLY 283 CO 0.00 0.81 -0.13 -2.08 0.00 0.00 0.00 176.54 175.14 2pnk h VAL 284 N 0.64 1.32 -0.74 4.60 2.07 -1.87 -2.61 116.25 119.66 2pnk h VAL 284 Ca 0.04 -1.23 0.10 0.00 0.82 0.00 0.00 66.70 66.43 2pnk h VAL 284 Cb 0.99 1.74 -0.08 0.00 -1.52 0.00 0.00 31.29 32.42 2pnk h VAL 284 CO 0.09 0.37 0.37 -0.08 0.02 0.00 0.00 177.57 178.34 2pnk h GLU 285 N 0.08 0.59 -0.56 1.57 4.81 -1.94 -1.76 114.58 117.37 2pnk h GLU 285 Ca 0.04 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2pnk h GLU 285 Cb 0.64 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2pnk h GLU 285 CO 0.03 0.39 0.19 1.25 -0.73 0.00 0.00 179.01 180.15 2pnk h HIS 286 N 0.61 0.88 -0.40 0.92 2.76 -1.08 -2.07 115.15 116.77 2pnk h HIS 286 Ca 0.37 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 2pnk h HIS 286 Cb 0.41 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 2pnk h HIS 286 CO -0.11 0.73 0.17 -0.07 -1.30 0.00 0.00 177.93 177.35 2pnk h LEU 287 N 0.77 0.55 -0.30 0.26 3.38 -1.18 0.65 115.31 119.45 2pnk h LEU 287 Ca 0.18 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2pnk h LEU 287 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2pnk h LEU 287 CO -0.01 0.56 -0.04 -0.07 0.09 0.00 0.00 178.44 178.98 2pnk h LEU 288 N 0.51 0.54 -0.20 1.67 3.38 -1.32 -1.18 115.31 118.71 2pnk h LEU 288 Ca 0.14 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2pnk h LEU 288 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2pnk h LEU 288 CO -0.01 0.75 0.03 -0.09 0.09 0.00 0.00 178.44 179.21 2pnk h ARG 289 N 0.32 0.34 -0.00 1.13 2.43 -1.25 -3.32 114.38 114.04 2pnk h ARG 289 Ca 0.08 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2pnk h ARG 289 Cb 0.49 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2pnk h ARG 289 CO 0.02 0.49 -0.44 0.39 -1.51 0.00 0.00 179.97 178.92 2pnk n GLU 290 N -4.74 0.02 -3.22 0.20 -0.58 0.21 -4.11 120.64 108.42 2pnk n GLU 290 Ca -0.04 -0.01 -0.25 0.00 -0.42 0.00 0.00 57.16 56.44 2pnk n GLU 290 Cb 0.19 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.50 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 -1.48 2.18 0.33 -0.32 4.02 -0.45 -4.92 117.16 116.51 2pnk n TYR 291 Ca 0.06 -3.92 0.12 0.00 -0.01 0.00 0.00 57.90 54.15 2pnk n TYR 291 Cb 0.34 -0.47 0.54 0.00 -0.02 0.00 0.00 39.34 39.73 2pnk n TYR 291 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2pnk h PRO 292 N 3.70 0.00 -0.21 -0.72 0.13 -1.71 -2.22 132.00 130.96 2pnk h PRO 292 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2pnk h PRO 292 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2pnk h PRO 292 CO 0.69 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.55 2pnk n ASN 293 N -2.32 2.72 -4.85 1.44 3.02 -1.26 -4.88 115.26 109.13 2pnk n ASN 293 Ca 0.01 -1.88 -0.32 0.00 -0.03 0.00 0.00 54.58 52.37 2pnk n ASN 293 Cb 0.18 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.68 5.99 -0.10 6.41 -0.87 -0.84 -4.78 114.94 119.06 2pnk s ASN 294 Ca 0.35 0.18 -0.03 0.00 -1.57 0.00 0.00 52.86 51.78 2pnk s ASN 294 Cb 0.21 -1.77 -0.03 0.00 -0.02 0.00 0.00 41.25 39.64 2pnk s ASN 294 CO 0.30 0.20 0.02 -0.54 -2.57 0.00 0.00 177.10 174.52 2pnk s LYS 295 N -2.26 3.18 -0.05 -0.60 1.02 -1.26 -4.84 119.74 114.94 2pnk s LYS 295 Ca 0.30 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 55.95 2pnk s LYS 295 Cb -0.13 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.30 2pnk s LYS 295 CO 0.22 0.64 -0.14 -0.06 -0.92 0.00 0.00 175.35 175.10 2pnk s PHE 296 N -0.70 1.48 -0.18 3.18 0.40 0.26 -1.57 117.98 120.84 2pnk s PHE 296 Ca 0.11 -0.46 -0.05 0.00 -0.60 0.00 0.00 56.93 55.93 2pnk s PHE 296 Cb -0.12 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 2pnk s PHE 296 CO 0.02 -0.19 0.01 -0.51 0.70 0.00 0.00 175.22 175.25 2pnk s LEU 297 N 0.29 3.40 -0.03 -0.37 1.43 -0.27 -4.28 118.68 118.86 2pnk s LEU 297 Ca -0.08 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2pnk s LEU 297 Cb -0.12 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.26 2pnk s LEU 297 CO 0.02 0.12 -0.04 -0.69 0.23 0.00 0.00 176.35 175.99 2pnk s VAL 298 N 0.68 0.44 0.28 -1.59 1.01 -1.26 -4.12 120.40 115.83 2pnk s VAL 298 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2pnk s VAL 298 Cb -0.14 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 2pnk s VAL 298 CO 0.02 0.18 0.11 1.07 0.00 0.00 0.00 175.10 176.48 2pnk n THR 299 N 3.72 0.00 0.00 3.92 5.66 -1.26 -1.97 114.28 124.35 2pnk n THR 299 Ca -0.22 -1.64 0.00 0.00 -3.05 0.00 0.00 64.05 59.14 2pnk n THR 299 Cb 0.53 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 69.91 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 0.02 -4.75 1.09 7.94 0.02 -1.36 117.00 119.96 2pnk n LEU 301 Ca -0.03 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.46 2pnk n LEU 301 Cb 0.42 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.32 2pnk n LEU 301 CO 0.22 0.00 0.62 -0.55 -1.11 0.00 0.00 177.39 176.57 2pnk s SER 302 N -1.42 7.53 0.34 1.96 0.15 -1.26 -4.76 113.70 116.24 2pnk s SER 302 Ca 0.00 1.82 0.03 0.00 0.70 0.00 0.00 55.95 58.50 2pnk s SER 302 Cb 0.00 -2.58 0.65 0.00 -1.71 0.00 0.00 66.02 62.38 2pnk s SER 302 CO 0.00 0.07 1.97 -0.09 1.20 0.00 0.00 173.24 176.39 2pnk h ARG 303 N 4.80 0.84 0.00 5.44 2.43 -1.96 -2.68 114.38 123.26 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 1.20 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2pnk h ARG 303 CO 0.69 0.56 0.00 0.39 -1.51 0.00 0.00 179.97 180.10 2pnk n GLU 304 N -4.46 0.20 0.00 0.20 4.71 -1.26 -2.50 120.64 117.53 2pnk n GLU 304 Ca 0.10 0.07 0.12 0.00 -0.01 0.00 0.00 57.16 57.44 2pnk n GLU 304 Cb 0.15 -1.50 0.27 0.00 -1.01 0.00 0.00 31.44 29.35 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 -1.38 0.95 -0.02 1.62 5.03 -1.01 -4.72 115.26 115.74 2pnk n ASN 305 Ca 0.09 -0.75 -0.16 0.00 0.87 0.00 0.00 54.58 54.63 2pnk n ASN 305 Cb 0.23 0.26 -0.10 0.00 -1.02 0.00 0.00 39.78 39.15 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 0.85 0.35 -0.47 3.52 1.08 -1.61 -1.42 115.11 117.41 2pnk h GLN 306 Ca 0.00 -0.31 -0.04 0.00 -1.45 0.00 0.00 58.65 56.85 2pnk h GLN 306 Cb 0.53 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 2pnk h GLN 306 CO 0.00 0.97 0.16 1.25 -0.95 0.00 0.00 178.83 180.26 2pnk h HIS 307 N -0.17 0.74 0.00 2.96 2.76 -1.84 -2.20 115.15 117.40 2pnk h HIS 307 Ca -0.04 -0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 57.99 2pnk h HIS 307 Cb 1.08 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 2pnk h HIS 307 CO 0.14 0.65 -0.33 1.05 -1.30 0.00 0.00 177.93 178.15 2pnk h GLU 308 N 0.62 0.00 -0.58 5.26 4.11 -1.85 -1.69 114.58 120.45 2pnk h GLU 308 Ca 0.15 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.51 2pnk h GLU 308 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2pnk h GLU 308 CO -0.01 0.33 0.09 1.25 0.07 0.00 0.00 179.01 180.74 2pnk h LEU 309 N 0.00 0.92 -0.65 3.06 5.85 -0.90 -0.30 115.31 123.30 2pnk h LEU 309 Ca -0.00 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 2pnk h LEU 309 Cb 0.66 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2pnk h LEU 309 CO 0.04 0.95 0.36 0.58 -0.34 0.00 0.00 178.44 180.03 2pnk h VAL 310 N 0.86 1.20 -0.68 1.05 2.07 -0.92 -1.75 116.25 118.08 2pnk h VAL 310 Ca 0.18 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2pnk h VAL 310 Cb 0.42 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2pnk h VAL 310 CO 0.01 0.22 0.33 0.58 0.02 0.00 0.00 177.57 178.73 2pnk h VAL 311 N 0.88 1.23 -0.63 2.57 2.07 -0.91 -2.39 116.25 119.07 2pnk h VAL 311 Ca 0.23 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2pnk h VAL 311 Cb 0.04 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2pnk h VAL 311 CO -0.04 0.27 0.27 0.25 0.02 0.00 0.00 177.57 178.34 2pnk h LEU 312 N 0.95 0.82 -1.37 2.57 5.85 -0.57 -1.58 115.31 121.97 2pnk h LEU 312 Ca 0.23 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2pnk h LEU 312 Cb 0.12 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2pnk h LEU 312 CO -0.03 0.72 0.13 0.00 -0.34 0.00 0.00 178.44 178.91 2pnk h ALA 313 N 1.41 1.51 -0.67 1.25 0.00 -0.90 -0.97 119.26 120.89 2pnk h ALA 313 Ca 0.22 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2pnk h ALA 313 Cb 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2pnk h ALA 313 CO -0.02 0.38 0.44 0.00 0.00 0.00 0.00 179.25 180.04 2pnk h ARG 314 N 0.55 0.64 0.00 0.00 3.08 -0.81 -3.08 114.38 114.75 2pnk h ARG 314 Ca 0.13 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.99 2pnk h ARG 314 Cb 0.16 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2pnk h ARG 314 CO -0.01 0.42 -0.72 0.87 -1.07 0.00 0.00 179.97 179.46 2pnk h LYS 315 N 0.66 0.00 -3.44 0.04 1.79 -0.89 -3.46 116.57 111.27 2pnk h LYS 315 Ca 0.29 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 58.28 2pnk h LYS 315 Cb 0.30 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.55 2pnk h LYS 315 CO -0.09 0.72 -0.76 -0.06 -1.08 0.00 0.00 179.45 178.18 2pnk s PHE 316 N -2.98 0.72 -0.49 -1.35 0.08 -0.84 -5.01 117.98 108.10 2pnk s PHE 316 Ca 0.02 -0.55 0.25 0.00 0.12 0.00 0.00 56.93 56.77 2pnk s PHE 316 Cb 0.09 -0.88 0.94 0.00 -0.57 0.00 0.00 43.02 42.61 2pnk s PHE 316 CO 0.77 -0.52 1.75 0.66 -0.10 0.00 0.00 175.22 177.79 2pnk h SER 317 N 8.31 0.00 -0.05 1.36 4.64 -1.89 -2.16 113.55 123.76 2pnk h SER 317 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2pnk h SER 317 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2pnk h SER 317 CO 0.30 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.80 2pnk n ASN 318 N -2.37 0.41 -3.61 4.97 6.94 -1.26 -5.03 115.26 115.30 2pnk n ASN 318 Ca 0.03 -1.62 -0.12 0.00 -0.02 0.00 0.00 54.58 52.85 2pnk n ASN 318 Cb 0.31 -0.03 0.02 0.00 -2.36 0.00 0.00 39.78 37.72 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 -0.46 0.00 -3.64 -4.53 7.94 -0.81 -0.58 117.00 114.92 2pnk n LEU 319 Ca 0.11 -1.48 -0.15 0.00 -1.11 0.00 0.00 56.01 53.39 2pnk n LEU 319 Cb 0.11 -0.15 -0.08 0.00 0.53 0.00 0.00 43.42 43.84 2pnk n LEU 319 CO 0.09 -0.54 0.30 0.27 -1.11 0.00 0.00 177.39 176.40 2pnk s ILE 321 N -1.22 0.01 -0.01 1.96 -4.36 -1.26 -4.92 121.20 111.39 2pnk s ILE 321 Ca 0.27 -0.04 -0.01 0.00 -0.26 0.00 0.00 60.65 60.61 2pnk s ILE 321 Cb -0.02 -0.86 0.01 0.00 1.25 0.00 0.00 42.46 42.84 2pnk s ILE 321 CO 0.17 -0.02 0.03 0.72 0.24 0.00 0.00 174.94 176.08 2pnk s PHE 322 N -0.16 -0.01 0.07 1.37 -0.71 -0.83 -2.19 117.98 115.52 2pnk s PHE 322 Ca -0.04 0.10 0.00 0.00 -1.04 0.00 0.00 56.93 55.95 2pnk s PHE 322 Cb -0.03 -0.07 0.00 0.00 -1.21 0.00 0.00 43.02 41.71 2pnk s PHE 322 CO 0.03 -0.04 0.00 0.41 -1.34 0.00 0.00 175.22 174.28 2pnk n GLY 323 N 3.45 -2.08 2.85 1.99 0.00 -0.44 -4.36 105.19 106.59 2pnk n GLY 323 Ca -0.17 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.18 3.12 0.00 0.00 -0.00 -1.26 -3.16 118.94 117.46 2pnk s TRP 325 Ca 0.18 1.26 0.00 0.00 -0.00 0.00 0.00 56.10 57.55 2pnk s TRP 325 Cb -0.23 -3.37 0.00 0.00 -0.00 0.00 0.00 33.47 29.87 2pnk s TRP 325 CO -0.02 -1.02 0.00 1.87 -0.00 0.00 0.00 176.95 177.78 2pnk n TRP 326 N 6.41 0.00 -0.22 5.86 -0.00 -1.26 -4.03 117.44 124.20 2pnk n TRP 326 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.61 2pnk n TRP 326 Cb 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.74 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 -3.86 5.87 3.72 -1.26 -4.63 117.46 117.30 2pnk n PHE 327 Ca 0.00 -0.37 -0.38 0.00 -0.05 0.00 0.00 57.45 56.65 2pnk n PHE 327 Cb 0.00 -0.55 0.03 0.00 -0.94 0.00 0.00 39.48 38.02 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 2.38 -4.81 -3.86 4.37 5.15 -1.19 -5.02 115.26 112.27 2pnk n ASN 329 Ca 0.07 -1.14 -0.15 0.00 -0.60 0.00 0.00 54.58 52.76 2pnk n ASN 329 Cb 0.21 -2.54 -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 -3.47 0.25 0.32 1.20 0.01 -1.26 -5.02 114.94 106.98 2pnk s ASN 330 Ca 0.47 -0.02 0.10 0.00 -0.71 0.00 0.00 52.86 52.69 2pnk s ASN 330 Cb -0.21 -0.08 0.87 0.00 0.41 0.00 0.00 41.25 42.23 2pnk s ASN 330 CO 0.91 -0.03 1.75 -0.65 -1.51 0.00 0.00 177.10 177.57 2pnk h PRO 331 N 6.57 0.60 -0.87 -0.60 0.11 -1.98 0.67 132.00 136.50 2pnk h PRO 331 Ca -0.33 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 2pnk h PRO 331 Cb 1.17 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 2pnk h PRO 331 CO 0.50 0.39 0.51 1.49 -0.21 0.00 0.00 178.00 180.68 2pnk h GLU 332 N 0.61 1.18 0.21 1.05 4.57 -2.00 -1.82 114.58 118.39 2pnk h GLU 332 Ca 0.62 -0.11 -0.34 0.00 -1.18 0.00 0.00 59.36 58.35 2pnk h GLU 332 Cb 1.16 -0.25 0.02 0.00 -0.16 0.00 0.00 28.75 29.52 2pnk h GLU 332 CO -0.43 0.84 -1.65 0.82 -1.18 0.00 0.00 179.01 177.41 2pnk h ILE 333 N 1.20 1.05 -1.01 2.32 2.04 -1.68 -2.85 117.51 118.58 2pnk h ILE 333 Ca 0.31 -2.56 0.03 0.00 1.00 0.00 0.00 64.86 63.64 2pnk h ILE 333 Cb -0.04 2.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.84 2pnk h ILE 333 CO -0.06 0.84 0.66 0.40 0.00 0.00 0.00 178.15 179.99 2pnk h ILE 334 N 0.10 1.19 0.37 -0.67 2.04 -0.84 -2.52 117.51 117.17 2pnk h ILE 334 Ca -0.32 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 2pnk h ILE 334 Cb 2.11 -0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2pnk h ILE 334 CO 0.20 0.24 -0.18 -1.13 0.00 0.00 0.00 178.15 177.28 2pnk h ASN 335 N 1.29 -0.42 0.00 1.72 -1.24 -1.38 -1.76 115.58 113.79 2pnk h ASN 335 Ca 0.40 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.34 2pnk h ASN 335 Cb -0.02 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2pnk h ASN 335 CO -0.12 -0.18 0.00 -1.84 -1.29 0.00 0.00 177.43 174.00 2pnk n GLU 336 N -5.24 0.20 0.00 6.67 0.28 -0.95 -1.69 120.64 119.90 2pnk n GLU 336 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 2pnk n GLU 336 Cb 0.25 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 31.83 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 0.71 0.00 0.36 3.84 -1.04 -0.66 -4.59 114.28 112.90 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 0.08 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 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 0.36 -0.36 -2.82 1.74 -0.68 -4.61 116.66 110.29 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 0.44 -0.78 -0.00 5.56 1.74 -1.26 -5.03 116.66 117.34 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 0.11 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 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 -0.36 -1.08 0.00 5.56 1.02 -1.26 -3.82 120.64 120.70 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 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 -0.00 0.00 0.00 -4.62 4.77 -1.26 -5.15 117.00 110.74 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 4.27 1.30 -0.72 0.00 -1.25 -1.63 105.19 107.16 2pnk n GLY 346 Ca 0.00 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 1.73 -1.42 2.61 -2.24 -1.26 -4.74 114.28 108.96 2pnk n THR 347 Ca 0.00 -1.26 -0.26 0.00 -2.27 0.00 0.00 64.05 60.25 2pnk n THR 347 Cb 0.00 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.78 6.52 -3.98 3.42 3.41 -0.65 -4.75 113.62 118.37 2pnk n SER 348 Ca 0.22 -3.22 -0.11 0.00 -0.26 0.00 0.00 58.87 55.51 2pnk n SER 348 Cb 0.80 -1.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.48 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 -1.83 0.72 -0.38 7.33 -0.71 -1.26 -4.81 117.98 117.04 2pnk s PHE 349 Ca 0.55 -1.01 -0.07 0.00 -1.04 0.00 0.00 56.93 55.36 2pnk s PHE 349 Cb 0.37 -0.10 0.06 0.00 -1.21 0.00 0.00 43.02 42.15 2pnk s PHE 349 CO -0.20 -0.89 0.17 0.42 -1.34 0.00 0.00 175.22 173.38 2pnk s ILE 350 N -3.96 3.83 0.39 -4.49 1.01 -0.93 -4.70 121.20 112.34 2pnk s ILE 350 Ca 0.29 -1.38 0.16 0.00 0.00 0.00 0.00 60.65 59.72 2pnk s ILE 350 Cb 0.02 -3.30 0.15 0.00 0.01 0.00 0.00 42.46 39.34 2pnk s ILE 350 CO 0.11 -0.37 1.90 1.55 0.00 0.00 0.00 174.94 178.14 2pnk h PRO 351 N 8.25 0.00 -2.80 2.79 0.13 -1.87 -1.16 132.00 137.35 2pnk h PRO 351 Ca -0.21 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.82 2pnk h PRO 351 Cb 1.08 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.02 2pnk h PRO 351 CO 0.67 0.28 -0.12 -1.14 -0.23 0.00 0.00 178.00 177.45 2pnk s GLN 352 N -4.27 0.82 0.11 0.86 2.00 -1.26 -3.54 119.66 114.39 2pnk s GLN 352 Ca -0.03 -0.13 -0.00 0.00 -2.00 0.00 0.00 55.36 53.19 2pnk s GLN 352 Cb 0.14 0.37 -0.04 0.00 0.80 0.00 0.00 33.01 34.28 2pnk s GLN 352 CO 0.69 -0.25 0.02 -3.38 -0.50 0.00 0.00 175.29 171.87 2pnk s HIS 353 N -1.59 0.83 -0.12 1.67 -3.43 -1.26 -4.66 115.29 106.73 2pnk s HIS 353 Ca -0.11 -1.14 0.07 0.00 -0.80 0.00 0.00 55.06 53.08 2pnk s HIS 353 Cb -0.03 -0.49 -0.24 0.00 -1.43 0.00 0.00 32.58 30.39 2pnk s HIS 353 CO 0.04 -0.41 0.37 -1.13 -2.00 0.00 0.00 174.74 171.61 2pnk n SER 354 N -0.06 1.19 -2.17 7.38 3.41 -1.25 -4.72 113.62 117.39 2pnk n SER 354 Ca -0.08 0.22 -0.17 0.00 -0.26 0.00 0.00 58.87 58.58 2pnk n SER 354 Cb 0.63 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 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 -3.14 -4.88 -4.72 4.04 8.00 -0.39 -4.90 116.55 110.57 2pnk n ASP 355 Ca -0.27 0.17 -0.43 0.00 0.71 0.00 0.00 54.79 54.97 2pnk n ASP 355 Cb 1.06 -4.17 -0.03 0.00 -0.02 0.00 0.00 41.12 37.96 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 -1.29 2.57 -0.04 2.24 0.00 -1.26 -4.31 120.51 118.43 2pnk n ALA 356 Ca -0.19 0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.66 2pnk n ALA 356 Cb 0.63 -2.49 -0.13 0.00 0.00 0.00 0.00 19.45 17.47 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 3.55 0.95 -5.00 0.00 1.74 -1.26 0.15 116.66 116.79 2pnk n ARG 357 Ca 0.15 -0.09 -0.32 0.00 -0.77 0.00 0.00 57.85 56.82 2pnk n ARG 357 Cb 0.34 -1.39 -0.15 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.80 2.68 0.17 1.55 1.01 -1.26 -4.22 120.40 117.53 2pnk s VAL 358 Ca -0.07 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 2pnk s VAL 358 Cb 0.08 -2.05 0.11 0.00 0.00 0.00 0.00 36.38 34.52 2pnk s VAL 358 CO 0.66 0.56 1.65 0.25 0.00 0.00 0.00 175.10 178.23 2pnk h LEU 359 N 6.00 -0.54 -2.47 3.92 5.85 -1.50 -1.14 115.31 125.43 2pnk h LEU 359 Ca -0.35 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2pnk h LEU 359 Cb 1.18 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 2pnk h LEU 359 CO 0.51 -0.19 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.07 2pnk h GLU 360 N -0.06 0.00 -0.26 1.25 3.07 -1.95 -2.44 114.58 114.20 2pnk h GLU 360 Ca 0.21 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 59.14 2pnk h GLU 360 Cb 0.38 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2pnk h GLU 360 CO -0.47 0.02 0.31 1.96 -1.40 0.00 0.00 179.01 179.43 2pnk h GLN 361 N 0.00 0.00 -0.79 2.33 4.20 -1.61 -1.29 115.11 117.95 2pnk h GLN 361 Ca -0.00 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.89 2pnk h GLN 361 Cb 0.06 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 2pnk h GLN 361 CO 0.00 0.00 0.54 -0.07 -0.67 0.00 0.00 178.83 178.63 2pnk h LEU 362 N 0.00 0.31 0.84 1.46 3.38 -1.61 0.41 115.31 120.10 2pnk h LEU 362 Ca 0.12 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2pnk h LEU 362 Cb 0.74 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2pnk h LEU 362 CO -0.00 0.14 -0.41 0.40 0.09 0.00 0.00 178.44 178.67 2pnk h ILE 363 N 0.32 0.08 -0.09 1.22 2.04 -1.47 -2.59 117.51 117.02 2pnk h ILE 363 Ca 0.40 -0.11 -0.19 0.00 1.00 0.00 0.00 64.86 65.96 2pnk h ILE 363 Cb 1.07 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2pnk h ILE 363 CO -0.11 0.00 -0.72 0.10 0.00 0.00 0.00 178.15 177.42 2pnk h TYR 364 N -1.24 0.60 -0.24 1.37 -0.00 -1.61 -1.06 116.97 114.79 2pnk h TYR 364 Ca -0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 58.73 58.35 2pnk h TYR 364 Cb 0.88 -0.09 -0.01 0.00 0.00 0.00 0.00 36.73 37.50 2pnk h TYR 364 CO -0.00 1.02 0.12 0.87 -0.00 0.00 0.00 178.16 180.17 2pnk h LYS 365 N 0.31 0.34 -0.10 0.10 1.79 -0.99 0.07 116.57 118.09 2pnk h LYS 365 Ca -0.03 -0.05 -0.23 0.00 -2.18 0.00 0.00 60.65 58.16 2pnk h LYS 365 Cb 1.30 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.89 2pnk h LYS 365 CO 0.13 0.33 -0.85 -1.49 -1.08 0.00 0.00 179.45 176.48 2pnk h TRP 366 N 0.27 0.98 -0.03 -1.35 4.06 -1.47 -1.85 115.95 116.55 2pnk h TRP 366 Ca 0.08 -0.46 -0.00 0.00 2.06 0.00 0.00 58.89 60.57 2pnk h TRP 366 Cb 0.09 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.11 2pnk h TRP 366 CO -0.03 1.29 0.01 0.45 -3.56 0.00 0.00 178.44 176.60 2pnk h HIS 367 N 0.45 0.05 -0.59 0.49 3.86 -1.11 0.23 115.15 118.53 2pnk h HIS 367 Ca -0.07 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2pnk h HIS 367 Cb 1.48 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.91 2pnk h HIS 367 CO 0.08 0.22 0.39 0.45 0.86 0.00 0.00 177.93 179.94 2pnk h HIS 368 N -0.14 0.75 -0.10 2.45 3.86 -1.03 -2.04 115.15 118.90 2pnk h HIS 368 Ca 0.01 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.07 2pnk h HIS 368 Cb 0.19 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 28.42 2pnk h HIS 368 CO -0.01 0.47 -0.60 0.77 0.86 0.00 0.00 177.93 179.43 2pnk h SER 369 N 0.81 0.70 -0.89 2.45 0.02 -1.20 -3.02 113.55 112.41 2pnk h SER 369 Ca 0.22 -0.66 0.04 0.00 -0.84 0.00 0.00 61.79 60.56 2pnk h SER 369 Cb -0.09 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.19 2pnk h SER 369 CO -0.05 1.24 0.58 0.11 -1.14 0.00 0.00 176.83 177.58 2pnk h LYS 370 N 0.20 1.05 -0.66 3.45 1.57 -0.47 -0.39 116.57 121.32 2pnk h LYS 370 Ca -0.05 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 2pnk h LYS 370 Cb 1.25 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 2pnk h LYS 370 CO 0.12 0.69 0.08 0.66 -0.57 0.00 0.00 179.45 180.44 2pnk h SER 371 N 1.08 1.07 -0.16 0.86 4.64 -1.30 -0.17 113.55 119.57 2pnk h SER 371 Ca 0.36 -0.27 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 2pnk h SER 371 Cb 0.08 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 2pnk h SER 371 CO -0.12 1.07 -0.13 0.40 -0.87 0.00 0.00 176.83 177.19 2pnk h ILE 372 N 1.03 1.33 -0.49 0.95 2.04 -1.28 -2.95 117.51 118.14 2pnk h ILE 372 Ca 0.20 -1.25 -0.09 0.00 1.00 0.00 0.00 64.86 64.71 2pnk h ILE 372 Cb 0.47 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2pnk h ILE 372 CO 0.02 0.37 -0.07 0.40 0.00 0.00 0.00 178.15 178.87 2pnk h ILE 373 N 0.02 1.26 -0.54 -0.67 2.04 -0.97 -2.29 117.51 116.36 2pnk h ILE 373 Ca 0.03 -1.15 0.05 0.00 1.00 0.00 0.00 64.86 64.79 2pnk h ILE 373 Cb 0.64 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 2pnk h ILE 373 CO 0.03 0.40 0.26 0.00 0.00 0.00 0.00 178.15 178.85 2pnk h ALA 374 N 1.13 0.70 -0.46 1.87 0.00 -1.06 -1.36 119.26 120.07 2pnk h ALA 374 Ca 0.14 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2pnk h ALA 374 Cb 0.57 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2pnk h ALA 374 CO 0.03 -0.09 0.15 0.93 0.00 0.00 0.00 179.25 180.27 2pnk h GLU 375 N 0.51 0.68 -0.28 0.00 4.39 -1.27 -0.70 114.58 117.89 2pnk h GLU 375 Ca 0.24 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 2pnk h GLU 375 Cb 0.18 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2pnk h GLU 375 CO -0.18 0.59 -0.11 0.28 -1.16 0.00 0.00 179.01 178.43 2pnk h VAL 376 N 0.67 1.29 -0.83 3.13 2.07 -1.05 -2.48 116.25 119.05 2pnk h VAL 376 Ca 0.16 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.54 2pnk h VAL 376 Cb 0.19 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 2pnk h VAL 376 CO -0.01 0.38 0.52 -0.07 0.02 0.00 0.00 177.57 178.41 2pnk h LEU 377 N 0.33 0.85 0.07 2.57 3.38 -0.69 -1.98 115.31 119.84 2pnk h LEU 377 Ca 0.07 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2pnk h LEU 377 Cb 0.62 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2pnk h LEU 377 CO 0.04 0.58 -0.11 0.40 0.09 0.00 0.00 178.44 179.43 2pnk h ILE 378 N 1.00 0.73 -0.53 1.22 2.04 -1.03 0.27 117.51 121.21 2pnk h ILE 378 Ca 0.34 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.27 2pnk h ILE 378 Cb 0.06 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 2pnk h ILE 378 CO -0.13 0.00 0.22 0.44 0.00 0.00 0.00 178.15 178.68 2pnk h ASP 379 N -0.23 0.26 -0.16 1.72 3.32 -1.24 0.21 116.42 120.31 2pnk h ASP 379 Ca 0.02 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2pnk h ASP 379 Cb 0.24 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2pnk h ASP 379 CO -0.06 0.18 -0.38 0.11 -1.72 0.00 0.00 179.24 177.36 2pnk h LYS 380 N 0.42 0.54 -0.64 3.56 6.56 -1.07 -2.05 116.57 123.90 2pnk h LYS 380 Ca 0.25 -0.37 -0.07 0.00 -1.06 0.00 0.00 60.65 59.40 2pnk h LYS 380 Cb 0.24 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.92 2pnk h LYS 380 CO -0.23 0.98 0.13 1.88 -2.06 0.00 0.00 179.45 180.16 2pnk h TYR 381 N 0.18 1.07 -0.59 -1.35 0.05 -0.34 -2.98 116.97 113.02 2pnk h TYR 381 Ca -0.00 -0.13 -0.06 0.00 0.05 0.00 0.00 58.73 58.59 2pnk h TYR 381 Cb 0.99 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.40 2pnk h TYR 381 CO 0.10 0.89 0.13 0.22 -1.05 0.00 0.00 178.16 178.44 2pnk h ASP 382 N 0.97 0.87 -0.87 3.88 3.58 -0.51 0.35 116.42 124.69 2pnk h ASP 382 Ca 0.20 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2pnk h ASP 382 Cb 0.37 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.15 2pnk h ASP 382 CO 0.00 0.86 0.50 0.44 -2.88 0.00 0.00 179.24 178.16 2pnk h ASP 383 N 0.88 1.07 0.47 2.28 3.32 -1.25 0.38 116.42 123.57 2pnk h ASP 383 Ca 0.19 -0.09 -0.22 0.00 0.02 0.00 0.00 57.03 56.93 2pnk h ASP 383 Cb 0.34 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2pnk h ASP 383 CO 0.00 0.85 -0.93 0.16 -1.72 0.00 0.00 179.24 177.60 2pnk h ILE 384 N 1.21 1.45 -0.61 0.35 3.07 -1.34 -2.85 117.51 118.79 2pnk h ILE 384 Ca 0.31 -2.57 0.05 0.00 1.55 0.00 0.00 64.86 64.20 2pnk h ILE 384 Cb -0.00 2.47 -0.05 0.00 -0.27 0.00 0.00 36.82 38.97 2pnk h ILE 384 CO -0.05 0.76 0.34 0.25 -1.05 0.00 0.00 178.15 178.40 2pnk h LEU 385 N 0.16 0.52 -1.24 0.16 5.85 -0.50 -1.60 115.31 118.65 2pnk h LEU 385 Ca -0.07 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2pnk h LEU 385 Cb 1.57 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2pnk h LEU 385 CO 0.15 0.35 -0.18 1.56 -0.34 0.00 0.00 178.44 179.98 2pnk h GLN 386 N 0.65 0.00 0.00 1.25 1.08 -0.94 -2.05 115.11 115.10 2pnk h GLN 386 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 2pnk h GLN 386 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2pnk h GLN 386 CO -0.15 0.18 0.00 0.00 -0.95 0.00 0.00 178.83 177.90 2pnk n ALA 387 N -2.21 2.53 0.00 3.87 0.00 -0.80 -4.91 120.51 119.00 2pnk n ALA 387 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2pnk n ALA 387 Cb 0.39 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.17 0.80 3.73 0.00 0.00 -0.77 -5.08 105.19 105.04 2pnk n GLY 388 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 3.53 -0.41 1.61 -0.11 -0.67 -4.99 118.94 115.90 2pnk s TRP 389 Ca 0.00 1.52 -0.24 0.00 1.22 0.00 0.00 56.10 58.60 2pnk s TRP 389 Cb 0.00 -3.33 0.02 0.00 -1.50 0.00 0.00 33.47 28.66 2pnk s TRP 389 CO 0.00 -0.83 0.83 -2.00 -4.62 0.00 0.00 176.95 170.32 2pnk s GLU 390 N -0.15 3.61 -0.15 5.86 2.12 -1.26 -4.13 118.70 124.60 2pnk s GLU 390 Ca 0.51 0.17 -0.20 0.00 0.36 0.00 0.00 54.97 55.82 2pnk s GLU 390 Cb -0.30 -3.87 -0.03 0.00 0.26 0.00 0.00 34.13 30.18 2pnk s GLU 390 CO 0.35 -1.02 0.58 0.08 -0.54 0.00 0.00 175.26 174.71 2pnk s VAL 391 N 3.33 5.09 0.25 3.70 1.01 -1.26 -5.07 120.40 127.45 2pnk s VAL 391 Ca 0.33 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.46 2pnk s VAL 391 Cb -0.12 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2pnk s VAL 391 CO 0.21 0.21 0.41 0.42 0.00 0.00 0.00 175.10 176.34 2pnk s THR 392 N 1.29 5.22 0.34 3.92 -4.23 -1.26 -4.44 115.64 116.48 2pnk s THR 392 Ca 0.29 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 60.12 2pnk s THR 392 Cb -0.16 -3.82 0.23 0.00 1.34 0.00 0.00 72.50 70.08 2pnk s THR 392 CO 0.12 -0.33 1.96 -0.08 -0.54 0.00 0.00 174.62 175.74 2pnk h GLU 393 N 1.34 0.77 -0.67 3.99 4.81 -1.99 -1.66 114.58 121.17 2pnk h GLU 393 Ca -0.50 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 58.60 2pnk h GLU 393 Cb 1.22 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 2pnk h GLU 393 CO 0.63 0.58 0.24 0.93 -0.73 0.00 0.00 179.01 180.67 2pnk h GLU 394 N 0.78 1.01 -0.47 1.92 3.07 -1.99 -1.13 114.58 117.76 2pnk h GLU 394 Ca 0.20 -0.18 -0.10 0.00 -0.50 0.00 0.00 59.36 58.77 2pnk h GLU 394 Cb 0.05 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 2pnk h GLU 394 CO -0.03 0.84 -0.11 0.93 -1.40 0.00 0.00 179.01 179.24 2pnk h GLU 395 N 0.98 0.91 -0.09 2.33 5.08 -1.84 -0.71 114.58 121.24 2pnk h GLU 395 Ca 0.22 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2pnk h GLU 395 Cb 0.23 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2pnk h GLU 395 CO -0.02 1.00 0.05 0.82 -1.00 0.00 0.00 179.01 179.87 2pnk h ILE 396 N 0.76 1.04 -0.90 3.13 2.04 -1.05 -0.86 117.51 121.67 2pnk h ILE 396 Ca 0.12 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2pnk h ILE 396 Cb 0.66 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 2pnk h ILE 396 CO 0.05 0.04 0.59 0.11 0.00 0.00 0.00 178.15 178.93 2pnk h LYS 397 N 0.09 1.14 0.04 2.37 1.57 -1.06 -0.68 116.57 120.05 2pnk h LYS 397 Ca 0.03 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2pnk h LYS 397 Cb 0.02 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.07 2pnk h LYS 397 CO -0.01 0.76 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.52 2pnk h ARG 398 N 1.18 -0.06 -0.65 3.15 2.43 -0.89 -0.75 114.38 118.79 2pnk h ARG 398 Ca 0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 2pnk h ARG 398 Cb -0.07 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2pnk h ARG 398 CO -0.09 -0.03 0.42 -0.44 -1.51 0.00 0.00 179.97 178.31 2pnk h ASP 399 N -0.07 0.76 -0.44 -3.80 3.32 -0.86 0.09 116.42 115.42 2pnk h ASP 399 Ca -0.01 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 2pnk h ASP 399 Cb 0.05 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2pnk h ASP 399 CO 0.01 0.56 -0.02 0.58 -1.72 0.00 0.00 179.24 178.66 2pnk h VAL 400 N 0.88 1.25 -0.42 -1.35 2.07 -1.04 -1.44 116.25 116.20 2pnk h VAL 400 Ca 0.24 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 2pnk h VAL 400 Cb -0.08 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2pnk h VAL 400 CO -0.05 0.38 0.13 0.00 0.02 0.00 0.00 177.57 178.05 2pnk h ALA 401 N 1.18 0.55 -0.52 1.67 0.00 -0.43 -1.73 119.26 119.98 2pnk h ALA 401 Ca 0.15 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2pnk h ALA 401 Cb 0.50 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2pnk h ALA 401 CO 0.02 0.20 0.18 -0.44 0.00 0.00 0.00 179.25 179.22 2pnk h ASP 402 N 0.54 0.18 -0.20 0.00 3.32 -0.53 0.55 116.42 120.28 2pnk h ASP 402 Ca 0.14 0.07 -0.17 0.00 0.02 0.00 0.00 57.03 57.08 2pnk h ASP 402 Cb 0.26 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2pnk h ASP 402 CO -0.00 0.13 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.07 2pnk h LEU 403 N 0.36 0.85 0.00 1.55 3.38 -1.07 0.14 115.31 120.52 2pnk h LEU 403 Ca 0.26 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2pnk h LEU 403 Cb 0.29 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2pnk h LEU 403 CO -0.26 1.20 -1.06 0.49 0.09 0.00 0.00 178.44 178.89 2pnk n PHE 404 N -4.01 0.23 0.05 1.13 3.72 -0.67 -4.18 117.46 113.74 2pnk n PHE 404 Ca -0.03 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2pnk n PHE 404 Cb 0.59 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 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 -1.94 -0.61 0.07 4.37 2.88 -0.65 -1.64 113.62 116.09 2pnk n SER 405 Ca 0.02 0.19 -0.10 0.00 -1.33 0.00 0.00 58.87 57.65 2pnk n SER 405 Cb 0.43 0.78 0.01 0.00 -0.75 0.00 0.00 64.21 64.68 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 0.33 -0.94 -1.46 3.08 -0.87 -2.90 114.38 111.62 2pnk h ARG 406 Ca 0.00 -0.31 0.09 0.00 0.07 0.00 0.00 59.98 59.83 2pnk h ARG 406 Cb 0.00 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.05 2pnk h ARG 406 CO 0.00 0.98 0.59 -0.91 -1.07 0.00 0.00 179.97 179.55 2pnk h ASN 407 N 0.21 0.89 0.17 7.04 2.35 -0.94 -0.05 115.58 125.26 2pnk h ASN 407 Ca -0.04 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2pnk h ASN 407 Cb 1.40 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2pnk h ASN 407 CO 0.13 0.53 -0.08 0.15 -1.65 0.00 0.00 177.43 176.51 2pnk h PHE 408 N 1.00 -0.22 -0.78 1.19 3.57 -1.74 -1.61 116.94 118.36 2pnk h PHE 408 Ca 0.43 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.88 2pnk h PHE 408 Cb 0.30 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2pnk h PHE 408 CO -0.02 0.05 0.28 -1.49 -2.23 0.00 0.00 178.31 174.90 2pnk h TRP 409 N -0.48 1.21 -0.24 0.41 4.06 -1.36 -0.70 115.95 118.85 2pnk h TRP 409 Ca -0.02 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.82 2pnk h TRP 409 Cb 0.37 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 2pnk h TRP 409 CO 0.01 0.93 0.16 -0.09 -3.56 0.00 0.00 178.44 175.89 2pnk h ARG 410 N 1.14 0.33 -0.57 0.49 2.43 -1.02 -1.83 114.38 115.34 2pnk h ARG 410 Ca 0.25 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2pnk h ARG 410 Cb 0.26 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2pnk h ARG 410 CO -0.01 0.24 0.27 0.35 -1.51 0.00 0.00 179.97 179.30 2pnk h PHE 411 N 0.32 0.83 0.00 2.20 3.57 -0.58 -2.63 116.94 120.66 2pnk h PHE 411 Ca 0.09 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2pnk h PHE 411 Cb -0.01 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.47 2pnk h PHE 411 CO -0.05 0.65 0.00 1.33 -2.23 0.00 0.00 178.31 178.00 2pnk n VAL 412 N -4.53 0.03 -2.81 1.41 0.24 -0.33 -4.90 118.33 107.43 2pnk n VAL 412 Ca 0.03 0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.24 2pnk n VAL 412 Cb 0.13 -0.52 0.05 0.00 -1.47 0.00 0.00 33.84 32.03 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 1.22 -0.03 3.60 7.63 0.00 -0.73 -4.85 105.19 112.02 2pnk n GLY 413 Ca 0.14 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2pnk n GLY 413 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pnk s ARG 414 N -4.74 2.04 -0.03 1.61 3.52 -0.93 -5.07 118.95 115.35 2pnk s ARG 414 Ca 0.01 -1.67 0.07 0.00 -0.13 0.00 0.00 55.73 54.02 2pnk s ARG 414 Cb -0.00 0.51 -0.02 0.00 -1.56 0.00 0.00 34.95 33.88 2pnk s ARG 414 CO 0.42 -0.89 -0.24 -0.80 -0.81 0.00 0.00 175.30 172.98 2pnk s ASN 415 N -3.19 2.87 1.12 -2.12 0.01 -1.26 -4.49 114.94 107.87 2pnk s ASN 415 Ca 0.26 -0.45 -0.19 0.00 -0.71 0.00 0.00 52.86 51.77 2pnk s ASN 415 Cb -0.02 -0.41 0.27 0.00 0.41 0.00 0.00 41.25 41.50 2pnk s ASN 415 CO 0.18 0.29 1.24 1.51 -1.51 0.00 0.00 177.10 178.80 2pnk s ASP 416 N -0.49 1.69 0.21 -1.22 1.47 -1.26 -4.71 116.67 112.35 2pnk s ASP 416 Ca 0.07 0.32 -0.10 0.00 1.18 0.00 0.00 52.55 54.02 2pnk s ASP 416 Cb -0.10 -0.36 0.15 0.00 -0.34 0.00 0.00 42.92 42.27 2pnk s ASP 416 CO -0.00 -3.62 1.86 -0.74 0.68 0.00 0.00 175.17 173.35 2pnk h HIS 417 N -2.25 0.96 -0.13 2.11 -0.00 -1.90 -1.74 115.15 112.20 2pnk h HIS 417 Ca -0.43 0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 59.85 2pnk h HIS 417 Cb 1.25 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 28.32 2pnk h HIS 417 CO -2.10 0.63 -0.34 0.28 -0.00 0.00 0.00 177.93 176.40 2pnk h VAL 418 N 1.01 1.28 0.02 5.26 2.07 -1.94 -2.77 116.25 121.18 2pnk h VAL 418 Ca 0.27 -1.36 -0.20 0.00 0.82 0.00 0.00 66.70 66.22 2pnk h VAL 418 Cb -0.08 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2pnk h VAL 418 CO -0.05 0.41 -0.94 0.74 0.02 0.00 0.00 177.57 177.74 2pnk h THR 419 N 0.22 1.60 -0.09 2.57 2.02 -1.86 -3.29 112.91 114.07 2pnk h THR 419 Ca 0.03 -2.99 -0.23 0.00 0.77 0.00 0.00 66.41 63.98 2pnk h THR 419 Cb 0.72 2.66 0.01 0.00 -1.74 0.00 0.00 68.15 69.80 2pnk h THR 419 CO 0.05 0.86 -0.86 0.28 0.37 0.00 0.00 175.52 176.22 2pnk h SER 420 N 0.04 0.88 0.85 4.18 0.02 -1.19 -1.01 113.55 117.31 2pnk h SER 420 Ca -0.03 -0.62 -0.06 0.00 -0.84 0.00 0.00 61.79 60.24 2pnk h SER 420 Cb 1.63 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 2pnk h SER 420 CO 0.13 1.42 -0.28 0.58 -1.14 0.00 0.00 176.83 177.54 2pnk h VAL 421 N 0.46 0.70 0.01 2.27 2.07 -1.65 -3.04 116.25 117.08 2pnk h VAL 421 Ca -0.08 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.12 2pnk h VAL 421 Cb 1.50 1.80 0.01 0.00 -1.52 0.00 0.00 31.29 33.08 2pnk h VAL 421 CO 0.17 0.28 -0.29 0.11 0.02 0.00 0.00 177.57 177.85 2pnk h LYS 422 N 0.00 0.17 -0.00 1.57 1.57 -1.61 -3.52 116.57 114.75 2pnk h LYS 422 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2pnk h LYS 422 Cb 0.78 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2pnk h LYS 422 CO 0.04 0.97 0.00 1.33 -0.57 0.00 0.00 179.45 181.22