#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 4.15 0.00 -1.33 1.01 -1.26 -4.91 121.20 118.87 2pnk s ILE 3 Ca 0.00 1.44 0.02 0.00 0.00 0.00 0.00 60.65 62.11 2pnk s ILE 3 Cb 0.00 -3.93 0.04 0.00 0.01 0.00 0.00 42.46 38.58 2pnk s ILE 3 CO 0.00 -0.08 0.99 -0.46 0.00 0.00 0.00 174.94 175.40 2pnk n ASN 4 N 6.13 0.08 -3.66 3.58 6.94 -1.26 -4.67 115.26 122.40 2pnk n ASN 4 Ca 0.13 -1.96 -0.11 0.00 -0.02 0.00 0.00 54.58 52.62 2pnk n ASN 4 Cb 0.45 -0.20 -0.05 0.00 -2.36 0.00 0.00 39.78 37.62 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 -1.05 -0.22 0.32 0.53 1.04 -1.26 -5.04 113.70 108.02 2pnk s SER 5 Ca 0.03 -0.27 0.09 0.00 0.48 0.00 0.00 55.95 56.28 2pnk s SER 5 Cb 0.03 0.45 0.53 0.00 0.10 0.00 0.00 66.02 67.13 2pnk s SER 5 CO -0.01 -0.79 1.74 -0.09 0.98 0.00 0.00 173.24 175.06 2pnk h ARG 6 N 2.57 0.16 -0.17 4.02 2.43 -1.98 -2.22 114.38 119.19 2pnk h ARG 6 Ca -0.33 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 58.78 2pnk h ARG 6 Cb 1.24 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2pnk h ARG 6 CO 0.47 0.54 0.06 1.49 -1.51 0.00 0.00 179.97 181.02 2pnk h GLU 7 N 0.14 0.15 -0.18 0.20 4.81 -2.00 0.42 114.58 118.12 2pnk h GLU 7 Ca 0.01 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.03 2pnk h GLU 7 Cb 0.77 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.13 2pnk h GLU 7 CO 0.06 0.10 -0.70 0.28 -0.73 0.00 0.00 179.01 178.01 2pnk h VAL 8 N 0.15 1.28 -0.78 0.32 2.07 -1.97 -2.98 116.25 114.34 2pnk h VAL 8 Ca 0.07 -1.90 0.15 0.00 0.82 0.00 0.00 66.70 65.84 2pnk h VAL 8 Cb 0.04 1.92 -0.10 0.00 -1.52 0.00 0.00 31.29 31.63 2pnk h VAL 8 CO -0.07 0.60 0.32 0.25 0.02 0.00 0.00 177.57 178.70 2pnk h LEU 9 N 0.53 0.31 -0.56 2.57 5.85 -1.29 -0.99 115.31 121.72 2pnk h LEU 9 Ca -0.04 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2pnk h LEU 9 Cb 1.33 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 2pnk h LEU 9 CO 0.15 0.11 0.33 0.00 -0.34 0.00 0.00 178.44 178.68 2pnk h ALA 10 N 1.57 0.72 -0.35 1.25 0.00 -0.80 0.19 119.26 121.83 2pnk h ALA 10 Ca 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2pnk h ALA 10 Cb 0.67 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2pnk h ALA 10 CO -0.41 0.21 0.22 0.93 0.00 0.00 0.00 179.25 180.19 2pnk h GLU 11 N 0.75 0.47 -0.24 0.00 5.08 -1.30 -1.39 114.58 117.95 2pnk h GLU 11 Ca 0.20 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2pnk h GLU 11 Cb -0.00 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2pnk h GLU 11 CO -0.04 0.33 -0.23 0.87 -1.00 0.00 0.00 179.01 178.95 2pnk h LYS 12 N 0.46 0.58 -0.10 2.33 1.79 -0.91 -2.02 116.57 118.70 2pnk h LYS 12 Ca 0.13 -0.30 -0.02 0.00 -2.18 0.00 0.00 60.65 58.27 2pnk h LYS 12 Cb -0.03 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2pnk h LYS 12 CO -0.03 0.89 -0.02 0.28 -1.08 0.00 0.00 179.45 179.50 2pnk h VAL 13 N 0.29 1.29 -0.54 0.50 2.07 -0.97 -0.80 116.25 118.09 2pnk h VAL 13 Ca 0.04 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.68 2pnk h VAL 13 Cb 0.78 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 2pnk h VAL 13 CO 0.06 0.27 0.26 0.11 0.02 0.00 0.00 177.57 178.28 2pnk h LYS 14 N -0.12 0.48 -0.45 1.57 1.57 -1.28 0.33 116.57 118.67 2pnk h LYS 14 Ca 0.03 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2pnk h LYS 14 Cb 0.43 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2pnk h LYS 14 CO 0.01 0.32 0.17 -0.97 -0.57 0.00 0.00 179.45 178.41 2pnk h ASN 15 N 0.50 0.63 -0.27 0.86 -1.24 -1.34 -0.29 115.58 114.43 2pnk h ASN 15 Ca 0.25 -0.18 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 2pnk h ASN 15 Cb 0.19 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 2pnk h ASN 15 CO -0.19 0.64 0.15 0.00 -1.29 0.00 0.00 177.43 176.74 2pnk h ALA 16 N 1.02 0.35 -0.24 1.57 0.00 -0.63 -0.20 119.26 121.13 2pnk h ALA 16 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2pnk h ALA 16 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2pnk h ALA 16 CO -0.01 -0.13 0.12 0.28 0.00 0.00 0.00 179.25 179.50 2pnk h VAL 17 N 0.33 1.14 -0.92 0.00 2.07 -0.87 -0.97 116.25 117.03 2pnk h VAL 17 Ca 0.10 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.26 2pnk h VAL 17 Cb 0.05 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 2pnk h VAL 17 CO -0.02 0.14 0.59 -1.13 0.02 0.00 0.00 177.57 177.17 2pnk h ASN 18 N 0.26 0.95 1.66 0.57 -0.00 -0.85 -2.99 115.58 115.18 2pnk h ASN 18 Ca 0.08 0.01 -0.06 0.00 -0.00 0.00 0.00 56.30 56.32 2pnk h ASN 18 Cb 0.12 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.23 2pnk h ASN 18 CO -0.01 0.63 -0.35 0.78 -0.00 0.00 0.00 177.43 178.48 2pnk h ASN 19 N 1.10 0.00 -2.72 1.15 2.35 -0.70 -3.46 115.58 113.29 2pnk h ASN 19 Ca 0.39 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.58 2pnk h ASN 19 Cb 0.10 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2pnk h ASN 19 CO -0.15 0.30 1.10 -1.58 -1.65 0.00 0.00 177.43 175.46 2pnk s GLN 20 N -3.06 3.93 0.31 0.81 2.00 -0.40 -4.97 119.66 118.28 2pnk s GLN 20 Ca 0.05 1.81 -0.30 0.00 -2.00 0.00 0.00 55.36 54.92 2pnk s GLN 20 Cb 0.07 -4.00 -0.11 0.00 0.80 0.00 0.00 33.01 29.76 2pnk s GLN 20 CO 0.72 -1.14 1.55 -2.14 -0.50 0.00 0.00 175.29 173.79 2pnk s PRO 21 N 4.43 4.13 -0.11 1.67 0.02 -1.26 -4.92 135.00 138.96 2pnk s PRO 21 Ca 0.71 2.55 -0.11 0.00 0.02 0.00 0.00 61.00 64.17 2pnk s PRO 21 Cb -0.27 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.19 2pnk s PRO 21 CO 0.28 -0.59 0.23 0.08 -0.33 0.00 0.00 177.00 176.68 2pnk s VAL 22 N -0.28 5.34 -0.25 3.83 1.01 -0.26 -4.66 120.40 125.13 2pnk s VAL 22 Ca 0.60 0.42 -0.16 0.00 0.00 0.00 0.00 61.98 62.84 2pnk s VAL 22 Cb -0.47 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2pnk s VAL 22 CO 0.51 0.55 0.44 -0.89 0.00 0.00 0.00 175.10 175.70 2pnk s THR 23 N -0.60 5.14 0.44 3.92 2.01 -0.67 -0.97 115.64 124.91 2pnk s THR 23 Ca 0.17 0.73 0.06 0.00 0.31 0.00 0.00 61.69 62.95 2pnk s THR 23 Cb -0.13 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.63 2pnk s THR 23 CO 0.06 0.15 0.61 -0.62 -0.69 0.00 0.00 174.62 174.13 2pnk s ASP 24 N 1.46 5.60 -0.39 3.53 -1.08 0.03 -4.73 116.67 121.09 2pnk s ASP 24 Ca 0.18 -0.29 -0.35 0.00 -0.52 0.00 0.00 52.55 51.58 2pnk s ASP 24 Cb -0.15 -0.78 -0.15 0.00 -1.46 0.00 0.00 42.92 40.38 2pnk s ASP 24 CO 0.09 -0.82 1.57 1.57 0.52 0.00 0.00 175.17 178.10 2pnk n HIS 26 N -1.95 1.01 -4.23 -5.34 -0.00 -1.26 -1.13 115.22 102.32 2pnk n HIS 26 Ca 0.07 0.67 -0.13 0.00 -0.00 0.00 0.00 57.72 58.33 2pnk n HIS 26 Cb 0.59 -1.77 -0.10 0.00 -0.00 0.00 0.00 29.99 28.71 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 4.12 0.39 -0.29 3.57 -4.23 -0.26 -1.30 115.64 117.64 2pnk s THR 27 Ca 0.91 -1.97 0.09 0.00 -1.18 0.00 0.00 61.69 59.54 2pnk s THR 27 Cb -1.17 -2.29 0.52 0.00 1.34 0.00 0.00 72.50 70.90 2pnk s THR 27 CO 0.54 -0.28 1.49 1.41 -0.54 0.00 0.00 174.62 177.24 2pnk n HIS 28 N -0.26 1.19 -3.32 3.99 8.25 0.74 -1.93 115.22 123.88 2pnk n HIS 28 Ca -0.03 -1.56 -0.22 0.00 -0.26 0.00 0.00 57.72 55.65 2pnk n HIS 28 Cb 0.65 -0.51 -0.00 0.00 1.12 0.00 0.00 29.99 31.25 2pnk n HIS 28 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2pnk s LEU 29 N -3.22 3.91 0.05 2.41 1.43 -1.18 -4.63 118.68 117.46 2pnk s LEU 29 Ca 0.45 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.82 2pnk s LEU 29 Cb 0.41 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2pnk s LEU 29 CO 0.01 -0.44 -0.11 -0.36 0.23 0.00 0.00 176.35 175.68 2pnk s PHE 30 N -2.34 0.93 0.22 0.29 0.08 -1.26 -4.43 117.98 111.47 2pnk s PHE 30 Ca 0.43 -0.45 -0.32 0.00 0.12 0.00 0.00 56.93 56.72 2pnk s PHE 30 Cb -0.10 -0.54 -0.14 0.00 -0.57 0.00 0.00 43.02 41.67 2pnk s PHE 30 CO 0.35 -0.01 1.33 0.45 -0.10 0.00 0.00 175.22 177.24 2pnk n SER 31 N 1.52 2.31 0.30 1.36 2.88 -1.26 -4.78 113.62 115.96 2pnk n SER 31 Ca -0.21 1.14 0.20 0.00 -1.33 0.00 0.00 58.87 58.67 2pnk n SER 31 Cb 0.55 -1.36 1.00 0.00 -0.75 0.00 0.00 64.21 63.65 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 3.93 0.00 0.00 -1.46 0.13 -1.93 -0.31 132.00 132.36 2pnk h PRO 32 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2pnk h PRO 32 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2pnk h PRO 32 CO 0.74 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.78 2pnk n ASN 33 N -2.99 0.00 -0.01 1.44 6.94 -1.26 -2.40 115.26 116.97 2pnk n ASN 33 Ca -0.02 -0.03 0.14 0.00 -0.02 0.00 0.00 54.58 54.65 2pnk n ASN 33 Cb 0.14 -0.26 0.63 0.00 -2.36 0.00 0.00 39.78 37.93 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 -1.26 0.00 -2.21 -2.53 3.01 -0.13 -5.04 117.46 109.30 2pnk n PHE 34 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 2pnk n PHE 34 Cb 0.15 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 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 1.40 0.25 0.00 1.37 0.00 -1.01 -4.40 105.19 102.80 2pnk n GLY 35 Ca 0.10 -1.33 0.07 0.00 0.00 0.00 0.00 46.02 44.86 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 3.55 0.07 0.27 1.61 -0.58 -1.26 -2.10 120.64 122.20 2pnk n GLU 36 Ca 0.00 0.22 0.14 0.00 -0.42 0.00 0.00 57.16 57.09 2pnk n GLU 36 Cb 0.00 -1.50 0.77 0.00 -0.57 0.00 0.00 31.44 30.14 2pnk n GLU 36 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 2pnk h ILE 37 N 0.00 0.50 -3.20 -3.67 2.10 -1.94 -3.38 117.51 107.92 2pnk h ILE 37 Ca 0.00 -0.46 -0.55 0.00 1.08 0.00 0.00 64.86 64.93 2pnk h ILE 37 Cb 0.21 1.31 -0.07 0.00 -1.09 0.00 0.00 36.82 37.18 2pnk h ILE 37 CO 0.00 0.09 1.01 -0.22 -1.08 0.00 0.00 178.15 177.95 2pnk s LEU 38 N -7.18 3.48 0.03 2.19 2.96 -0.89 -4.78 118.68 114.49 2pnk s LEU 38 Ca -0.03 0.27 -0.25 0.00 -0.22 0.00 0.00 54.13 53.90 2pnk s LEU 38 Cb 0.13 -3.24 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 2pnk s LEU 38 CO 0.57 -1.49 0.78 -0.76 -1.32 0.00 0.00 176.35 174.13 2pnk s LEU 39 N 5.17 4.43 0.08 -0.68 1.43 -1.26 -5.01 118.68 122.84 2pnk s LEU 39 Ca 0.48 1.45 -0.21 0.00 -1.03 0.00 0.00 54.13 54.83 2pnk s LEU 39 Cb -0.09 -3.26 0.05 0.00 0.03 0.00 0.00 46.19 42.92 2pnk s LEU 39 CO 0.27 -0.02 0.49 -1.66 0.23 0.00 0.00 176.35 175.66 2pnk s TRP 40 N 0.11 -0.37 0.00 0.29 1.48 -1.26 -1.09 118.94 118.10 2pnk s TRP 40 Ca 0.40 0.30 0.00 0.00 -1.06 0.00 0.00 56.10 55.74 2pnk s TRP 40 Cb -0.20 0.33 0.00 0.00 -1.16 0.00 0.00 33.47 32.44 2pnk s TRP 40 CO 0.23 -0.67 0.00 -0.40 -4.06 0.00 0.00 176.95 172.05 2pnk n ASP 41 N 0.20 0.00 -0.19 -2.66 5.68 -1.26 -4.62 116.55 113.70 2pnk n ASP 41 Ca -0.18 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.19 2pnk n ASP 41 Cb 0.61 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.95 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 0.99 -0.32 2.12 6.09 -1.96 -0.90 117.51 123.54 2pnk h ILE 42 Ca 0.00 -0.25 -0.11 0.00 -1.37 0.00 0.00 64.86 63.12 2pnk h ILE 42 Cb 0.00 0.19 -0.01 0.00 0.47 0.00 0.00 36.82 37.46 2pnk h ILE 42 CO 0.00 0.14 -0.26 0.44 -3.07 0.00 0.00 178.15 175.39 2pnk h ASP 43 N 0.74 0.65 -0.15 2.19 3.32 -1.95 -1.59 116.42 119.64 2pnk h ASP 43 Ca 0.33 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 2pnk h ASP 43 Cb 0.33 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 2pnk h ASP 43 CO -0.12 0.89 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.80 2pnk h GLU 44 N 0.56 0.37 -0.20 3.56 4.39 -1.69 -2.52 114.58 119.04 2pnk h GLU 44 Ca 0.07 -0.20 0.05 0.00 0.34 0.00 0.00 59.36 59.62 2pnk h GLU 44 Cb 0.74 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.35 2pnk h GLU 44 CO 0.06 0.77 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.47 2pnk h LEU 45 N -0.01 -0.46 -1.91 1.33 3.38 -1.06 -1.82 115.31 114.76 2pnk h LEU 45 Ca 0.02 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2pnk h LEU 45 Cb 0.71 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2pnk h LEU 45 CO 0.04 -0.18 -0.12 -0.07 0.09 0.00 0.00 178.44 178.20 2pnk h LEU 46 N -0.14 0.00 -2.27 1.67 3.38 -1.32 -2.74 115.31 113.89 2pnk h LEU 46 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2pnk h LEU 46 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2pnk h LEU 46 CO -0.29 0.12 0.00 0.35 0.09 0.00 0.00 178.44 178.71 2pnk n THR 47 N -3.73 0.43 -1.46 0.22 -2.24 -0.93 -4.70 114.28 101.88 2pnk n THR 47 Ca -0.02 -0.71 -0.50 0.00 -2.27 0.00 0.00 64.05 60.55 2pnk n THR 47 Cb 0.23 1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 69.48 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 1.48 0.12 0.29 4.78 9.36 -0.73 -4.68 117.16 127.79 2pnk n TYR 48 Ca 0.19 0.92 0.14 0.00 3.32 0.00 0.00 57.90 62.47 2pnk n TYR 48 Cb 0.61 -2.05 0.87 0.00 -0.63 0.00 0.00 39.34 38.14 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 1.74 0.00 -0.85 2.98 2.07 -1.92 -0.05 115.15 119.13 2pnk h HIS 49 Ca -0.35 0.00 0.08 0.00 -2.85 0.00 0.00 60.37 57.25 2pnk h HIS 49 Cb 1.42 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.33 2pnk h HIS 49 CO 0.47 0.02 0.51 1.88 -3.07 0.00 0.00 177.93 177.73 2pnk h TYR 50 N 0.00 0.92 0.00 6.12 -1.99 -1.95 -2.21 116.97 117.87 2pnk h TYR 50 Ca -0.00 0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.63 2pnk h TYR 50 Cb 0.05 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 38.47 2pnk h TYR 50 CO 0.00 0.41 -0.75 -0.07 -0.00 0.00 0.00 178.16 177.76 2pnk h LEU 51 N 0.87 0.00 -0.32 3.88 3.38 -1.32 -2.90 115.31 118.90 2pnk h LEU 51 Ca 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 2pnk h LEU 51 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2pnk h LEU 51 CO -0.22 0.55 0.17 0.58 0.09 0.00 0.00 178.44 179.61 2pnk h VAL 52 N 0.00 1.13 -0.33 1.22 2.07 -1.08 0.22 116.25 119.49 2pnk h VAL 52 Ca -0.04 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.17 2pnk h VAL 52 Cb 1.45 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 2pnk h VAL 52 CO 0.06 0.14 0.07 0.00 0.02 0.00 0.00 177.57 177.86 2pnk h ALA 53 N 1.04 0.35 -0.65 1.67 0.00 -1.44 -2.94 119.26 117.29 2pnk h ALA 53 Ca 0.11 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2pnk h ALA 53 Cb 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2pnk h ALA 53 CO -0.02 -0.34 0.11 0.93 0.00 0.00 0.00 179.25 179.93 2pnk h GLU 54 N 0.19 1.07 -1.98 0.00 5.08 -1.30 -3.23 114.58 114.41 2pnk h GLU 54 Ca 0.15 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2pnk h GLU 54 Cb 0.17 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2pnk h GLU 54 CO -0.20 0.97 0.00 1.55 -1.00 0.00 0.00 179.01 180.34 2pnk n VAL 55 N -4.22 0.88 0.00 3.13 3.14 0.05 -3.96 118.33 117.35 2pnk n VAL 55 Ca 0.04 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 2pnk n VAL 55 Cb 0.28 -1.20 0.00 0.00 -1.06 0.00 0.00 33.84 31.87 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 1.72 0.00 0.00 1.45 1.74 -1.22 -1.00 116.66 119.35 2pnk n ARG 57 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2pnk n ARG 57 Cb 0.22 -0.08 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 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 0.08 0.00 -2.59 -1.55 5.03 -1.25 -5.08 117.44 112.08 2pnk n TRP 58 Ca 0.00 0.00 -0.35 0.00 3.03 0.00 0.00 57.50 60.18 2pnk n TRP 58 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.24 2pnk n TRP 58 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 2pnk s THR 59 N -1.98 3.84 -0.13 -0.99 -1.32 -0.17 -4.95 115.64 109.93 2pnk s THR 59 Ca 0.00 1.30 0.26 0.00 -1.21 0.00 0.00 61.69 62.03 2pnk s THR 59 Cb 0.00 -3.62 0.30 0.00 -1.51 0.00 0.00 72.50 67.68 2pnk s THR 59 CO 0.00 -0.10 1.75 0.44 -2.21 0.00 0.00 174.62 174.50 2pnk h ASP 60 N 2.18 0.00 -2.82 8.08 5.19 -1.98 -3.46 116.42 123.61 2pnk h ASP 60 Ca -0.49 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.39 2pnk h ASP 60 Cb 1.21 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.74 2pnk h ASP 60 CO 0.61 0.10 0.89 -0.69 -3.12 0.00 0.00 179.24 177.03 2pnk s VAL 61 N -3.40 3.18 0.74 -1.35 1.01 -1.26 -4.98 120.40 114.34 2pnk s VAL 61 Ca 0.04 0.71 -0.14 0.00 0.00 0.00 0.00 61.98 62.58 2pnk s VAL 61 Cb 0.07 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 33.05 2pnk s VAL 61 CO 0.63 0.02 1.16 -0.94 0.00 0.00 0.00 175.10 175.98 2pnk s SER 62 N 1.83 4.27 0.32 3.32 1.04 -1.26 -4.82 113.70 118.40 2pnk s SER 62 Ca 0.69 2.20 0.00 0.00 0.48 0.00 0.00 55.95 59.32 2pnk s SER 62 Cb -0.38 -2.57 0.54 0.00 0.10 0.00 0.00 66.02 63.71 2pnk s SER 62 CO 0.30 -2.20 1.96 -0.29 0.98 0.00 0.00 173.24 173.99 2pnk h ILE 63 N -0.51 1.14 0.07 -1.02 6.09 -1.97 -0.48 117.51 120.83 2pnk h ILE 63 Ca -0.46 -0.34 -0.00 0.00 -1.37 0.00 0.00 64.86 62.68 2pnk h ILE 63 Cb 1.27 0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.62 2pnk h ILE 63 CO 0.50 0.18 -0.03 -0.33 -3.07 0.00 0.00 178.15 175.40 2pnk h GLU 64 N 1.00 -0.09 -0.64 2.19 3.07 -1.93 -1.71 114.58 116.47 2pnk h GLU 64 Ca 0.31 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.23 2pnk h GLU 64 Cb 0.00 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.90 2pnk h GLU 64 CO -0.09 0.09 0.43 0.00 -1.40 0.00 0.00 179.01 178.04 2pnk h ALA 65 N 0.66 1.72 -0.18 3.43 0.00 -1.85 -1.79 119.26 121.26 2pnk h ALA 65 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2pnk h ALA 65 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2pnk h ALA 65 CO 0.02 0.20 0.06 0.35 0.00 0.00 0.00 179.25 179.87 2pnk h PHE 66 N 0.70 0.29 0.00 0.00 3.57 -0.59 -2.83 116.94 118.08 2pnk h PHE 66 Ca 0.27 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 2pnk h PHE 66 Cb 0.18 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 2pnk h PHE 66 CO -0.00 0.37 -0.16 -1.49 -2.23 0.00 0.00 178.31 174.79 2pnk h TRP 67 N 0.13 0.00 0.00 0.41 -0.00 -1.03 -3.45 115.95 112.01 2pnk h TRP 67 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.84 2pnk h TRP 67 Cb 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.33 2pnk h TRP 67 CO -0.00 0.16 -0.12 0.00 -0.00 0.00 0.00 178.44 178.48 2pnk n ALA 68 N -2.23 4.60 -2.56 1.49 0.00 -0.70 -5.07 120.51 116.05 2pnk n ALA 68 Ca -0.01 -1.05 -0.22 0.00 0.00 0.00 0.00 53.44 52.17 2pnk n ALA 68 Cb 0.34 -2.07 -0.04 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 2.20 5.24 0.19 0.00 1.04 -1.26 -5.09 113.70 116.02 2pnk s SER 70 Ca 0.38 -0.49 -0.13 0.00 0.48 0.00 0.00 55.95 56.19 2pnk s SER 70 Cb 0.18 -1.01 0.20 0.00 0.10 0.00 0.00 66.02 65.49 2pnk s SER 70 CO 0.00 -0.29 1.68 0.50 0.98 0.00 0.00 173.24 176.12 2pnk h LYS 71 N 1.34 0.12 -0.51 4.02 1.63 -1.97 0.09 116.57 121.29 2pnk h LYS 71 Ca -0.45 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.33 2pnk h LYS 71 Cb 1.25 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.83 2pnk h LYS 71 CO 0.59 0.08 0.29 -0.09 -3.45 0.00 0.00 179.45 176.87 2pnk h ARG 72 N 0.13 0.70 -0.68 1.90 2.43 -1.99 -0.17 114.38 116.69 2pnk h ARG 72 Ca 0.26 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2pnk h ARG 72 Cb 0.39 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2pnk h ARG 72 CO -0.42 0.53 0.44 0.93 -1.51 0.00 0.00 179.97 179.94 2pnk h GLU 73 N 0.68 0.91 -0.36 0.20 5.08 -1.84 -0.27 114.58 118.97 2pnk h GLU 73 Ca 0.18 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2pnk h GLU 73 Cb 0.02 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2pnk h GLU 73 CO -0.03 0.61 0.21 1.96 -1.00 0.00 0.00 179.01 180.76 2pnk h GLN 74 N 0.93 0.50 -0.46 2.33 4.20 -0.55 -1.69 115.11 120.37 2pnk h GLN 74 Ca 0.25 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2pnk h GLN 74 Cb -0.09 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 2pnk h GLN 74 CO -0.05 0.39 0.22 0.00 -0.67 0.00 0.00 178.83 178.72 2pnk h ALA 75 N 1.08 0.60 -0.23 3.87 0.00 -0.78 -1.46 119.26 122.33 2pnk h ALA 75 Ca 0.13 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2pnk h ALA 75 Cb 0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2pnk h ALA 75 CO -0.02 0.17 -0.06 -0.44 0.00 0.00 0.00 179.25 178.90 2pnk h ASP 76 N 0.61 -0.23 -0.04 0.00 3.32 -0.88 -0.31 116.42 118.89 2pnk h ASP 76 Ca 0.16 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.29 2pnk h ASP 76 Cb 0.13 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2pnk h ASP 76 CO -0.02 -0.08 -0.04 0.25 -1.72 0.00 0.00 179.24 177.63 2pnk h LEU 77 N -0.01 -0.12 -0.64 1.55 5.85 -1.15 -1.03 115.31 119.76 2pnk h LEU 77 Ca 0.11 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2pnk h LEU 77 Cb 0.18 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2pnk h LEU 77 CO -0.24 -0.06 0.34 0.40 -0.34 0.00 0.00 178.44 178.54 2pnk h ILE 78 N -0.05 1.21 -0.07 4.05 2.04 -1.11 0.27 117.51 123.86 2pnk h ILE 78 Ca 0.03 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.38 2pnk h ILE 78 Cb 0.10 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2pnk h ILE 78 CO -0.07 0.23 -0.13 -0.25 0.00 0.00 0.00 178.15 177.93 2pnk h TRP 79 N 0.87 -0.32 -0.16 1.37 2.91 -0.88 0.32 115.95 120.06 2pnk h TRP 79 Ca 0.22 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.25 2pnk h TRP 79 Cb 0.07 0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.86 2pnk h TRP 79 CO -0.00 -0.19 0.07 1.49 -1.03 0.00 0.00 178.44 178.78 2pnk h GLU 80 N -0.18 0.24 -0.32 2.65 4.57 -0.64 -1.16 114.58 119.74 2pnk h GLU 80 Ca 0.07 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 58.03 2pnk h GLU 80 Cb 0.27 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2pnk h GLU 80 CO -0.17 0.31 -0.48 0.93 -1.18 0.00 0.00 179.01 178.41 2pnk h GLU 81 N 0.12 0.87 0.00 1.92 4.39 -0.39 0.19 114.58 121.68 2pnk h GLU 81 Ca 0.05 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2pnk h GLU 81 Cb 0.15 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2pnk h GLU 81 CO -0.01 1.15 -1.64 1.28 -1.16 0.00 0.00 179.01 178.64 2pnk n LEU 82 N -4.02 0.21 -0.03 1.33 4.77 0.09 -3.84 117.00 115.51 2pnk n LEU 82 Ca -0.03 -0.12 -0.03 0.00 -0.03 0.00 0.00 56.01 55.79 2pnk n LEU 82 Cb 0.59 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2pnk n LEU 82 CO 0.49 0.05 -0.68 0.49 -1.33 0.00 0.00 177.39 176.42 2pnk n PHE 83 N -1.99 0.00 -0.12 -1.77 3.01 -0.47 -3.33 117.46 112.78 2pnk n PHE 83 Ca -0.02 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.18 2pnk n PHE 83 Cb 0.45 -0.23 -0.10 0.00 -0.01 0.00 0.00 39.48 39.59 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 -2.51 1.53 0.37 4.37 2.08 -1.00 -4.39 119.36 119.81 2pnk n ILE 84 Ca -0.09 -0.22 0.12 0.00 0.56 0.00 0.00 62.75 63.12 2pnk n ILE 84 Cb 0.62 -1.96 0.26 0.00 -0.75 0.00 0.00 39.64 37.81 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 -1.00 0.00 -3.81 0.38 1.57 -1.13 -3.44 116.57 109.15 2pnk h LYS 85 Ca -0.54 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.10 2pnk h LYS 85 Cb 1.46 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.57 2pnk h LYS 85 CO -0.32 0.00 -0.59 1.03 -0.57 0.00 0.00 179.45 179.00 2pnk s ARG 86 N -3.18 0.46 0.33 3.15 3.00 -1.25 -5.04 118.95 116.42 2pnk s ARG 86 Ca 0.08 -0.62 -0.29 0.00 0.00 0.00 0.00 55.73 54.90 2pnk s ARG 86 Cb 0.08 0.18 -0.10 0.00 0.00 0.00 0.00 34.95 35.10 2pnk s ARG 86 CO 0.64 -0.10 1.29 -1.12 0.00 0.00 0.00 175.30 176.01 2pnk s SER 87 N -1.70 6.79 -1.56 0.23 0.01 -1.26 -3.44 113.70 112.77 2pnk s SER 87 Ca -0.11 2.65 -0.11 0.00 1.31 0.00 0.00 55.95 59.69 2pnk s SER 87 Cb -0.06 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 2pnk s SER 87 CO -0.02 -0.52 2.71 -0.81 0.41 0.00 0.00 173.24 175.02 2pnk n PRO 88 N 0.79 3.54 0.03 12.44 -0.04 -1.21 -4.68 135.00 145.87 2pnk n PRO 88 Ca 0.00 -2.42 0.13 0.00 -0.04 0.00 0.00 63.50 61.16 2pnk n PRO 88 Cb 0.42 -2.92 0.32 0.00 -0.04 0.00 0.00 33.50 31.28 2pnk n PRO 88 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2pnk n VAL 89 N 3.85 0.17 -1.09 0.52 0.24 -1.26 -3.25 118.33 117.50 2pnk n VAL 89 Ca 0.70 -0.11 -0.31 0.00 -2.04 0.00 0.00 64.34 62.58 2pnk n VAL 89 Cb 0.28 -0.11 0.11 0.00 -1.47 0.00 0.00 33.84 32.65 2pnk n VAL 89 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2pnk s SER 90 N -3.52 4.02 0.22 -1.34 1.04 -1.26 -4.77 113.70 108.09 2pnk s SER 90 Ca 0.10 1.94 -0.09 0.00 0.48 0.00 0.00 55.95 58.38 2pnk s SER 90 Cb 0.16 -2.54 0.18 0.00 0.10 0.00 0.00 66.02 63.92 2pnk s SER 90 CO 0.66 -2.36 1.87 -0.08 0.98 0.00 0.00 173.24 174.30 2pnk h GLU 91 N -1.34 1.11 -0.56 4.02 4.57 -1.97 0.14 114.58 120.56 2pnk h GLU 91 Ca -0.43 -0.10 -0.11 0.00 -1.18 0.00 0.00 59.36 57.53 2pnk h GLU 91 Cb 1.24 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 2pnk h GLU 91 CO 0.48 0.78 -0.09 0.00 -1.18 0.00 0.00 179.01 179.00 2pnk h ALA 92 N 1.27 0.77 -0.21 2.92 0.00 -1.95 0.10 119.26 122.16 2pnk h ALA 92 Ca 0.30 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2pnk h ALA 92 Cb -0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2pnk h ALA 92 CO -0.06 0.68 -0.23 0.00 0.00 0.00 0.00 179.25 179.64 2pnk h ARG 94 N 0.22 0.67 -0.59 0.00 2.43 -0.89 -2.77 114.38 113.45 2pnk h ARG 94 Ca 0.03 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2pnk h ARG 94 Cb 0.79 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2pnk h ARG 94 CO 0.06 0.44 0.37 0.78 -1.51 0.00 0.00 179.97 180.11 2pnk h GLY 95 N 0.69 0.84 0.56 2.80 0.00 -0.80 -1.00 103.07 106.16 2pnk h GLY 95 Ca 0.40 -0.29 0.10 0.00 0.00 0.00 0.00 47.33 47.55 2pnk h GLY 95 CO -0.29 0.26 0.60 -2.08 0.00 0.00 0.00 176.54 175.03 2pnk h VAL 96 N 0.75 0.97 -0.38 4.60 2.07 -1.23 -0.94 116.25 122.10 2pnk h VAL 96 Ca 0.23 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 2pnk h VAL 96 Cb -0.02 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.62 2pnk h VAL 96 CO -0.08 0.18 -0.25 -0.07 0.02 0.00 0.00 177.57 177.38 2pnk h LEU 97 N 1.00 0.87 -0.80 2.57 3.38 -1.19 -2.42 115.31 118.71 2pnk h LEU 97 Ca 0.45 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 58.06 2pnk h LEU 97 Cb 0.36 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 2pnk h LEU 97 CO -0.23 1.11 0.48 0.74 0.09 0.00 0.00 178.44 180.63 2pnk h THR 98 N 0.63 1.01 0.22 0.22 2.02 -0.66 -1.17 112.91 115.19 2pnk h THR 98 Ca 0.08 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2pnk h THR 98 Cb 0.81 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2pnk h THR 98 CO 0.07 0.16 -0.12 0.00 0.37 0.00 0.00 175.52 176.00 2pnk h LEU 100 N -0.32 0.03 -0.53 0.00 3.38 -1.20 -1.48 115.31 115.19 2pnk h LEU 100 Ca -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2pnk h LEU 100 Cb 0.26 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2pnk h LEU 100 CO 0.03 0.06 0.30 -0.61 0.09 0.00 0.00 178.44 178.31 2pnk h GLN 101 N 0.19 0.73 -0.37 1.13 4.15 -1.11 0.69 115.11 120.52 2pnk h GLN 101 Ca 0.15 -0.08 0.07 0.00 0.77 0.00 0.00 58.65 59.56 2pnk h GLN 101 Cb 0.16 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2pnk h GLN 101 CO -0.19 0.55 0.26 0.78 -1.93 0.00 0.00 178.83 178.29 2pnk h GLY 102 N 0.71 0.26 0.06 2.39 0.00 -0.32 -1.44 103.07 104.73 2pnk h GLY 102 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2pnk h GLY 102 CO -0.03 0.06 0.00 1.04 0.00 0.00 0.00 176.54 177.61 2pnk n LEU 103 N -4.47 0.83 0.00 3.11 4.77 -0.61 -4.89 117.00 115.74 2pnk n LEU 103 Ca 0.05 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2pnk n LEU 103 Cb 0.30 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2pnk n LEU 103 CO 0.35 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2pnk n GLY 104 N 1.04 0.64 3.90 -0.72 0.00 -0.54 -5.06 105.19 104.44 2pnk n GLY 104 Ca 0.19 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 3.84 -0.39 0.99 1.43 0.18 -4.99 118.68 119.74 2pnk s LEU 105 Ca 0.00 0.92 -0.05 0.00 -1.03 0.00 0.00 54.13 53.97 2pnk s LEU 105 Cb 0.00 -3.81 0.09 0.00 0.03 0.00 0.00 46.19 42.50 2pnk s LEU 105 CO 0.00 -0.39 0.18 -0.62 0.23 0.00 0.00 176.35 175.74 2pnk s ASP 106 N -3.49 5.30 0.61 2.29 2.15 -1.26 -3.61 116.67 118.65 2pnk s ASP 106 Ca 0.47 -1.67 0.36 0.00 0.43 0.00 0.00 52.55 52.14 2pnk s ASP 106 Cb -0.10 -1.86 1.97 0.00 -0.30 0.00 0.00 42.92 42.63 2pnk s ASP 106 CO 0.35 -0.48 2.24 -0.65 -0.17 0.00 0.00 175.17 176.47 2pnk h PRO 107 N 8.16 0.00 -0.63 4.34 0.11 -1.90 -2.73 132.00 139.35 2pnk h PRO 107 Ca -0.18 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.02 2pnk h PRO 107 Cb 1.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 2pnk h PRO 107 CO 0.68 0.02 0.42 0.00 -0.21 0.00 0.00 178.00 178.91 2pnk h ALA 108 N 1.98 1.93 0.00 -0.75 0.00 -2.00 -2.31 119.26 118.10 2pnk h ALA 108 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2pnk h ALA 108 Cb 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2pnk h ALA 108 CO 0.00 -0.06 -0.14 1.79 0.00 0.00 0.00 179.25 180.85 2pnk h THR 109 N 0.50 0.25 -3.07 0.00 1.35 -1.92 -3.47 112.91 106.54 2pnk h THR 109 Ca 0.29 -1.23 -0.35 0.00 -0.55 0.00 0.00 66.41 64.56 2pnk h THR 109 Cb 0.47 2.01 -0.03 0.00 -1.73 0.00 0.00 68.15 68.87 2pnk h THR 109 CO -0.09 0.13 -0.44 0.54 -0.25 0.00 0.00 175.52 175.42 2pnk n ARG 110 N -3.16 -1.83 -3.18 4.72 1.74 -0.87 -4.90 116.66 109.18 2pnk n ARG 110 Ca 0.03 0.88 -0.45 0.00 -0.77 0.00 0.00 57.85 57.54 2pnk n ARG 110 Cb 0.54 -5.49 -0.01 0.00 -1.02 0.00 0.00 32.46 26.49 2pnk n ARG 110 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2pnk s ASP 111 N -2.09 7.12 0.25 0.55 -1.08 -1.26 -4.84 116.67 115.31 2pnk s ASP 111 Ca 0.00 -3.16 -0.05 0.00 -0.52 0.00 0.00 52.55 48.82 2pnk s ASP 111 Cb 0.00 -2.29 0.34 0.00 -1.46 0.00 0.00 42.92 39.51 2pnk s ASP 111 CO 0.00 -0.53 1.87 0.25 0.52 0.00 0.00 175.17 177.28 2pnk h LEU 112 N 8.08 0.94 -0.54 -1.34 5.85 -1.98 -1.67 115.31 124.64 2pnk h LEU 112 Ca 0.21 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.97 2pnk h LEU 112 Cb 0.91 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 2pnk h LEU 112 CO 1.06 0.62 0.30 -0.61 -0.34 0.00 0.00 178.44 179.47 2pnk h GLN 113 N 1.08 0.58 -0.61 1.25 5.75 -2.00 0.64 115.11 121.81 2pnk h GLN 113 Ca 0.39 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.77 2pnk h GLN 113 Cb 0.11 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 2pnk h GLN 113 CO -0.15 0.38 0.05 0.28 -2.65 0.00 0.00 178.83 176.74 2pnk h VAL 114 N 0.59 1.26 -0.73 2.39 2.07 -1.81 -2.41 116.25 117.62 2pnk h VAL 114 Ca 0.23 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.73 2pnk h VAL 114 Cb 0.09 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 2pnk h VAL 114 CO -0.13 0.39 0.43 1.88 0.02 0.00 0.00 177.57 180.16 2pnk h TYR 115 N 0.94 0.79 -0.37 1.57 0.05 -0.75 -2.23 116.97 116.98 2pnk h TYR 115 Ca 0.18 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.93 2pnk h TYR 115 Cb 0.49 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 2pnk h TYR 115 CO 0.04 0.39 0.02 0.00 -1.05 0.00 0.00 178.16 177.56 2pnk h ARG 116 N 0.79 0.57 -0.38 4.88 3.08 -0.67 -2.50 114.38 120.14 2pnk h ARG 116 Ca 0.32 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2pnk h ARG 116 Cb 0.16 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2pnk h ARG 116 CO -0.17 0.58 0.16 0.93 -1.07 0.00 0.00 179.97 180.40 2pnk h GLU 117 N 0.55 0.54 -0.73 0.04 5.08 -0.90 -2.64 114.58 116.51 2pnk h GLU 117 Ca 0.12 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 2pnk h GLU 117 Cb 0.33 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 2pnk h GLU 117 CO 0.01 0.45 0.41 -0.92 -1.00 0.00 0.00 179.01 177.96 2pnk h TYR 118 N 0.54 0.75 0.01 4.33 5.03 -1.26 -3.03 116.97 123.34 2pnk h TYR 118 Ca 0.13 0.03 -0.22 0.00 2.58 0.00 0.00 58.73 61.25 2pnk h TYR 118 Cb 0.11 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.13 2pnk h TYR 118 CO 0.00 0.34 -1.04 0.74 -1.32 0.00 0.00 178.16 176.88 2pnk h PHE 119 N 0.73 0.03 0.00 -3.82 0.04 -1.56 -3.15 116.94 109.21 2pnk h PHE 119 Ca 0.34 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.08 2pnk h PHE 119 Cb 0.24 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 2pnk h PHE 119 CO -0.07 1.02 -0.01 0.00 -0.60 0.00 0.00 178.31 178.65 2pnk h ALA 120 N 0.97 1.55 0.00 2.45 0.00 -1.37 -2.73 119.26 120.13 2pnk h ALA 120 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2pnk h ALA 120 Cb 1.79 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 2pnk h ALA 120 CO 0.13 0.01 -0.06 0.87 0.00 0.00 0.00 179.25 180.20 2pnk h LYS 121 N 0.00 0.00 -6.23 0.00 1.57 -1.54 -3.47 116.57 106.90 2pnk h LYS 121 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2pnk h LYS 121 Cb 0.02 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.25 2pnk h LYS 121 CO 0.00 0.06 -0.58 0.15 -0.57 0.00 0.00 179.45 178.50 2pnk s LYS 122 N -3.30 2.76 0.56 3.15 1.02 -1.03 -5.13 119.74 117.77 2pnk s LYS 122 Ca 0.05 -0.98 -0.05 0.00 0.02 0.00 0.00 55.97 55.01 2pnk s LYS 122 Cb 0.06 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 2pnk s LYS 122 CO 0.65 0.46 0.85 0.95 -0.92 0.00 0.00 175.35 177.34 2pnk s THR 123 N -1.85 3.79 0.23 2.17 -4.23 -1.26 -4.97 115.64 109.52 2pnk s THR 123 Ca 0.31 -0.07 -0.08 0.00 -1.18 0.00 0.00 61.69 60.67 2pnk s THR 123 Cb -0.09 -3.48 0.20 0.00 1.34 0.00 0.00 72.50 70.47 2pnk s THR 123 CO 0.22 -0.47 1.90 0.28 -0.54 0.00 0.00 174.62 176.01 2pnk h SER 124 N -0.05 0.98 -0.59 3.99 0.02 -1.97 -1.95 113.55 113.98 2pnk h SER 124 Ca -0.46 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.39 2pnk h SER 124 Cb 1.25 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 2pnk h SER 124 CO 0.60 0.70 0.06 -0.33 -1.14 0.00 0.00 176.83 176.72 2pnk h GLU 125 N 1.16 1.00 -0.75 3.45 3.07 -1.95 -1.33 114.58 119.23 2pnk h GLU 125 Ca 0.32 -0.29 -0.05 0.00 -0.50 0.00 0.00 59.36 58.85 2pnk h GLU 125 Cb -0.10 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.67 2pnk h GLU 125 CO -0.08 0.96 0.28 0.93 -1.40 0.00 0.00 179.01 179.70 2pnk h GLU 126 N 0.90 1.14 -0.18 2.33 5.08 -1.91 -2.69 114.58 119.25 2pnk h GLU 126 Ca 0.18 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 2pnk h GLU 126 Cb 0.47 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2pnk h GLU 126 CO 0.02 0.94 -0.53 0.37 -1.00 0.00 0.00 179.01 178.81 2pnk h GLN 127 N 1.10 0.51 -0.39 2.33 5.75 -1.05 -1.21 115.11 122.16 2pnk h GLN 127 Ca 0.25 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2pnk h GLN 127 Cb 0.24 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 2pnk h GLN 127 CO -0.02 0.91 0.21 0.28 -2.65 0.00 0.00 178.83 177.56 2pnk h VAL 128 N 0.40 1.15 -0.37 2.39 2.07 -1.23 0.18 116.25 120.85 2pnk h VAL 128 Ca 0.01 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.15 2pnk h VAL 128 Cb 1.05 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2pnk h VAL 128 CO 0.10 0.16 0.20 0.44 0.02 0.00 0.00 177.57 178.49 2pnk h ASP 129 N 0.50 0.31 0.30 0.57 3.32 -1.30 -0.91 116.42 119.21 2pnk h ASP 129 Ca 0.14 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2pnk h ASP 129 Cb 0.07 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2pnk h ASP 129 CO -0.02 0.23 -0.14 0.74 -1.72 0.00 0.00 179.24 178.32 2pnk h THR 130 N 0.41 0.72 -0.34 0.35 2.02 -1.03 -2.63 112.91 112.40 2pnk h THR 130 Ca 0.15 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 2pnk h THR 130 Cb 0.03 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2pnk h THR 130 CO -0.09 0.02 0.04 0.58 0.37 0.00 0.00 175.52 176.45 2pnk h VAL 131 N -0.46 1.24 -0.81 3.16 2.07 -0.46 -1.58 116.25 119.40 2pnk h VAL 131 Ca -0.04 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2pnk h VAL 131 Cb 0.35 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2pnk h VAL 131 CO 0.07 0.29 0.48 -0.07 0.02 0.00 0.00 177.57 178.35 2pnk h LEU 132 N 0.40 0.99 0.24 2.57 3.38 -1.24 0.22 115.31 121.88 2pnk h LEU 132 Ca 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2pnk h LEU 132 Cb 0.38 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2pnk h LEU 132 CO 0.01 0.78 -0.13 -0.61 0.09 0.00 0.00 178.44 178.58 2pnk h GLN 133 N 1.12 -0.33 -0.04 1.13 4.15 -1.28 0.44 115.11 120.30 2pnk h GLN 133 Ca 0.29 0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.64 2pnk h GLN 133 Cb -0.02 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 2pnk h GLN 133 CO -0.05 -0.22 -0.42 -0.07 -1.93 0.00 0.00 178.83 176.13 2pnk h LEU 134 N -0.34 0.09 -0.01 -2.39 3.38 -0.96 -2.42 115.31 112.65 2pnk h LEU 134 Ca -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2pnk h LEU 134 Cb 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2pnk h LEU 134 CO 0.04 0.51 -0.34 0.00 0.09 0.00 0.00 178.44 178.74 2pnk n ALA 135 N -2.46 3.17 -3.72 1.53 0.00 0.74 -4.96 120.51 114.80 2pnk n ALA 135 Ca -0.02 -0.27 -0.25 0.00 0.00 0.00 0.00 53.44 52.90 2pnk n ALA 135 Cb 0.46 -1.23 0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.48 -2.84 -4.20 0.00 5.15 0.05 -4.86 115.26 107.07 2pnk n ASN 136 Ca 0.06 -0.93 -0.34 0.00 -0.60 0.00 0.00 54.58 52.78 2pnk n ASN 136 Cb 0.34 -3.67 -0.15 0.00 -0.53 0.00 0.00 39.78 35.77 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 -3.64 2.69 -0.08 3.44 1.01 -0.60 -1.10 120.40 122.10 2pnk s VAL 137 Ca 0.20 -0.81 0.14 0.00 0.00 0.00 0.00 61.98 61.52 2pnk s VAL 137 Cb -0.07 -2.22 -0.20 0.00 0.00 0.00 0.00 36.38 33.89 2pnk s VAL 137 CO 0.84 0.42 0.69 -1.54 0.00 0.00 0.00 175.10 175.52 2pnk n SER 138 N 4.69 0.82 -3.75 3.32 3.41 -0.15 -4.69 113.62 117.27 2pnk n SER 138 Ca -0.19 0.38 -0.14 0.00 -0.26 0.00 0.00 58.87 58.66 2pnk n SER 138 Cb 0.50 0.09 -0.15 0.00 -0.26 0.00 0.00 64.21 64.39 2pnk n SER 138 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2pnk s ASP 139 N -5.93 -0.09 -0.13 4.04 1.01 -1.14 -4.70 116.67 109.72 2pnk s ASP 139 Ca -0.04 0.27 0.02 0.00 0.71 0.00 0.00 52.55 53.50 2pnk s ASP 139 Cb 0.08 0.16 0.01 0.00 1.01 0.00 0.00 42.92 44.18 2pnk s ASP 139 CO 0.82 -0.14 -0.19 -0.69 0.21 0.00 0.00 175.17 175.18 2pnk s VAL 140 N 1.12 1.85 0.63 -1.27 1.01 0.12 -0.79 120.40 123.06 2pnk s VAL 140 Ca -0.09 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.09 2pnk s VAL 140 Cb -0.11 -1.66 0.10 0.00 0.00 0.00 0.00 36.38 34.71 2pnk s VAL 140 CO -0.05 0.51 0.87 -0.69 0.00 0.00 0.00 175.10 175.74 2pnk s VAL 141 N 0.97 2.24 -0.21 2.92 1.01 -0.28 -0.20 120.40 126.84 2pnk s VAL 141 Ca -0.05 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 2pnk s VAL 141 Cb -0.15 -2.47 0.07 0.00 0.00 0.00 0.00 36.38 33.83 2pnk s VAL 141 CO -0.04 0.00 0.06 -0.89 0.00 0.00 0.00 175.10 174.23 2pnk s THR 143 N -2.89 0.41 -0.28 3.92 2.01 -0.81 -1.10 115.64 116.89 2pnk s THR 143 Ca 0.63 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.97 2pnk s THR 143 Cb -0.06 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.43 2pnk s THR 143 CO 0.41 -0.32 0.06 0.20 -0.69 0.00 0.00 174.62 174.28 2pnk s ASN 144 N 1.90 5.00 -0.37 3.53 -0.87 0.05 -4.96 114.94 119.23 2pnk s ASN 144 Ca 0.02 -0.68 -0.03 0.00 -1.57 0.00 0.00 52.86 50.60 2pnk s ASN 144 Cb -0.17 -1.85 0.09 0.00 -0.02 0.00 0.00 41.25 39.29 2pnk s ASN 144 CO -0.13 -0.17 0.13 -0.62 -2.57 0.00 0.00 177.10 173.74 2pnk s ASP 145 N 1.49 5.13 0.60 -1.22 2.15 -1.26 -0.57 116.67 122.98 2pnk s ASP 145 Ca 0.03 -1.73 0.40 0.00 0.43 0.00 0.00 52.55 51.68 2pnk s ASP 145 Cb -0.17 -1.79 2.18 0.00 -0.30 0.00 0.00 42.92 42.85 2pnk s ASP 145 CO 0.02 -0.43 2.23 -0.65 -0.17 0.00 0.00 175.17 176.17 2pnk h PRO 146 N 8.03 0.00 -0.01 4.34 0.11 -1.98 -1.47 132.00 141.02 2pnk h PRO 146 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2pnk h PRO 146 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2pnk h PRO 146 CO 0.63 0.00 -0.06 1.19 -0.21 0.00 0.00 178.00 179.56 2pnk n PHE 147 N -2.92 0.00 -3.21 0.65 3.72 -1.26 -4.73 117.46 109.72 2pnk n PHE 147 Ca -0.03 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.93 2pnk n PHE 147 Cb 0.07 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 38.51 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 -2.15 6.19 0.30 4.37 -1.08 -0.56 -4.95 116.67 118.79 2pnk s ASP 148 Ca 0.36 -1.38 0.03 0.00 -0.52 0.00 0.00 52.55 51.04 2pnk s ASP 148 Cb 0.21 -2.26 0.74 0.00 -1.46 0.00 0.00 42.92 40.15 2pnk s ASP 148 CO 0.39 -0.94 1.62 0.44 0.52 0.00 0.00 175.17 177.21 2pnk h ASP 149 N 9.01 -0.13 -0.17 -0.34 5.19 -1.86 0.17 116.42 128.30 2pnk h ASP 149 Ca -0.29 0.22 0.01 0.00 -0.62 0.00 0.00 57.03 56.35 2pnk h ASP 149 Cb 1.10 0.33 -0.01 0.00 0.18 0.00 0.00 39.33 40.93 2pnk h ASP 149 CO 1.02 -0.23 0.11 0.78 -3.12 0.00 0.00 179.24 177.81 2pnk h ASN 150 N 0.13 0.16 0.08 6.45 2.35 -1.95 -2.99 115.58 119.80 2pnk h ASN 150 Ca 0.57 -0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 56.01 2pnk h ASN 150 Cb 1.19 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 2pnk h ASN 150 CO -0.73 0.11 -1.66 -0.08 -1.65 0.00 0.00 177.43 173.42 2pnk h GLU 151 N 0.18 0.16 -0.37 0.81 4.81 -1.07 -3.39 114.58 115.71 2pnk h GLU 151 Ca 0.07 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.06 2pnk h GLU 151 Cb 0.04 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2pnk h GLU 151 CO -0.01 1.13 0.25 0.07 -0.73 0.00 0.00 179.01 179.72 2pnk h ARG 152 N -0.38 0.30 -0.81 1.92 0.11 -0.96 -1.92 114.38 112.64 2pnk h ARG 152 Ca -0.39 -0.02 0.17 0.00 0.10 0.00 0.00 59.98 59.85 2pnk h ARG 152 Cb 1.73 -0.07 -0.15 0.00 1.11 0.00 0.00 29.97 32.59 2pnk h ARG 152 CO -0.03 0.20 -0.16 0.82 0.10 0.00 0.00 179.97 180.90 2pnk h ILE 153 N 0.31 0.20 -0.31 0.08 2.04 -1.73 0.37 117.51 118.47 2pnk h ILE 153 Ca 0.16 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 2pnk h ILE 153 Cb 0.24 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2pnk h ILE 153 CO -0.03 0.00 0.07 0.28 0.00 0.00 0.00 178.15 178.46 2pnk h SER 154 N 0.01 0.48 0.09 1.72 0.02 -1.58 -1.83 113.55 112.47 2pnk h SER 154 Ca 0.40 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2pnk h SER 154 Cb 0.65 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2pnk h SER 154 CO -0.82 0.60 -0.04 -0.50 -1.14 0.00 0.00 176.83 174.93 2pnk h TRP 155 N 0.34 -0.11 -0.78 3.45 4.06 -1.36 -1.74 115.95 119.82 2pnk h TRP 155 Ca 0.10 -0.00 0.12 0.00 2.06 0.00 0.00 58.89 61.17 2pnk h TRP 155 Cb 0.31 0.04 -0.08 0.00 -1.00 0.00 0.00 29.16 28.43 2pnk h TRP 155 CO 0.02 0.00 0.38 -0.07 -3.56 0.00 0.00 178.44 175.21 2pnk h LEU 156 N -0.20 0.46 -0.72 -4.49 3.38 -0.25 -1.27 115.31 112.22 2pnk h LEU 156 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2pnk h LEU 156 Cb 0.16 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2pnk h LEU 156 CO 0.02 0.22 0.00 -0.62 0.09 0.00 0.00 178.44 178.15 2pnk n GLU 157 N -4.89 1.32 -0.90 1.13 -0.58 -0.69 -4.87 120.64 111.15 2pnk n GLU 157 Ca 0.14 -0.35 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 2pnk n GLU 157 Cb 0.36 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 2pnk n GLU 157 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pnk n GLY 158 N 0.42 0.56 3.77 0.62 0.00 -0.48 -5.01 105.19 105.07 2pnk n GLY 158 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.10 4.35 -0.01 1.61 1.02 -0.66 -5.03 119.74 120.91 2pnk s LYS 159 Ca 0.00 2.22 0.04 0.00 0.02 0.00 0.00 55.97 58.25 2pnk s LYS 159 Cb 0.00 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.20 2pnk s LYS 159 CO 0.00 -0.21 -0.12 -0.65 -0.92 0.00 0.00 175.35 173.45 2pnk s GLN 160 N -1.62 2.44 0.57 1.68 -1.52 -1.26 -4.61 119.66 115.33 2pnk s GLN 160 Ca 0.50 -0.76 -0.19 0.00 -1.95 0.00 0.00 55.36 52.96 2pnk s GLN 160 Cb -0.40 -2.39 -0.05 0.00 -0.22 0.00 0.00 33.01 29.96 2pnk s GLN 160 CO 0.52 0.60 1.14 -1.25 -0.25 0.00 0.00 175.29 176.05 2pnk s PRO 161 N -1.11 3.20 0.44 2.91 0.04 -1.26 -4.98 135.00 134.23 2pnk s PRO 161 Ca 0.14 1.62 -0.23 0.00 0.04 0.00 0.00 61.00 62.58 2pnk s PRO 161 Cb -0.11 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 2pnk s PRO 161 CO 0.04 -0.98 0.77 -3.47 0.04 0.00 0.00 177.00 173.41 2pnk n ASP 162 N -1.52 0.15 0.26 6.66 -0.08 -1.26 -4.88 116.55 115.88 2pnk n ASP 162 Ca 0.12 0.95 0.18 0.00 -1.51 0.00 0.00 54.79 54.52 2pnk n ASP 162 Cb 0.51 -1.24 0.90 0.00 2.34 0.00 0.00 41.12 43.63 2pnk n ASP 162 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2pnk h SER 163 N 1.05 0.00 1.34 1.67 4.64 -2.00 0.69 113.55 120.94 2pnk h SER 163 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2pnk h SER 163 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2pnk h SER 163 CO 0.53 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.52 2pnk h ARG 164 N 0.00 0.00 -5.20 4.77 3.08 -1.90 -3.45 114.38 111.69 2pnk h ARG 164 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2pnk h ARG 164 Cb 0.13 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.94 2pnk h ARG 164 CO 0.00 0.00 -0.70 -0.06 -1.07 0.00 0.00 179.97 178.14 2pnk s PHE 165 N -3.29 2.97 0.12 3.04 0.40 0.23 -0.70 117.98 120.75 2pnk s PHE 165 Ca 0.06 -0.53 0.09 0.00 -0.60 0.00 0.00 56.93 55.96 2pnk s PHE 165 Cb 0.09 -1.99 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 2pnk s PHE 165 CO 0.56 -0.22 -0.20 -1.01 0.70 0.00 0.00 175.22 175.05 2pnk s HIS 166 N 0.73 2.49 0.19 0.36 3.76 0.71 -4.63 115.29 118.91 2pnk s HIS 166 Ca -0.02 -0.28 -0.11 0.00 -0.15 0.00 0.00 55.06 54.49 2pnk s HIS 166 Cb -0.15 -1.33 -0.07 0.00 1.11 0.00 0.00 32.58 32.14 2pnk s HIS 166 CO 0.02 0.37 0.54 0.00 -0.85 0.00 0.00 174.74 174.82 2pnk s ALA 167 N -1.12 3.58 -0.06 -1.40 0.00 -1.26 -4.36 121.76 117.14 2pnk s ALA 167 Ca 0.17 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 2pnk s ALA 167 Cb -0.10 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.60 2pnk s ALA 167 CO 0.09 0.50 0.13 0.00 0.00 0.00 0.00 175.76 176.48 2pnk s ALA 168 N -1.68 -0.22 -0.42 0.00 0.00 -1.26 -1.02 121.76 117.16 2pnk s ALA 168 Ca 0.43 0.63 -0.26 0.00 0.00 0.00 0.00 51.96 52.76 2pnk s ALA 168 Cb -0.13 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.56 2pnk s ALA 168 CO 0.20 -0.18 0.97 -1.17 0.00 0.00 0.00 175.76 175.59 2pnk s LEU 169 N 1.23 3.93 -0.18 0.00 2.96 -0.85 -0.77 118.68 125.00 2pnk s LEU 169 Ca -0.08 0.40 -0.23 0.00 -0.22 0.00 0.00 54.13 54.00 2pnk s LEU 169 Cb -0.12 -3.31 -0.02 0.00 0.50 0.00 0.00 46.19 43.24 2pnk s LEU 169 CO -0.06 -1.01 0.71 -0.60 -1.32 0.00 0.00 176.35 174.07 2pnk s ARG 170 N 3.78 4.26 0.00 1.98 3.52 0.26 -0.44 118.95 132.31 2pnk s ARG 170 Ca 0.40 0.78 0.07 0.00 -0.13 0.00 0.00 55.73 56.85 2pnk s ARG 170 Cb -0.10 -3.57 0.20 0.00 -1.56 0.00 0.00 34.95 29.91 2pnk s ARG 170 CO 0.24 -0.26 1.16 1.28 -0.81 0.00 0.00 175.30 176.91 2pnk n LEU 171 N 5.05 2.58 -0.16 -0.88 4.77 0.35 -4.51 117.00 124.19 2pnk n LEU 171 Ca 0.01 -1.99 -0.03 0.00 -0.03 0.00 0.00 56.01 53.97 2pnk n LEU 171 Cb 0.49 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2pnk n LEU 171 CO 0.46 0.64 0.74 0.44 -1.33 0.00 0.00 177.39 178.34 2pnk h ASP 172 N 1.31 -0.57 -0.51 -1.43 5.19 -1.93 -0.69 116.42 117.79 2pnk h ASP 172 Ca 0.00 0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2pnk h ASP 172 Cb 0.64 0.35 -0.03 0.00 0.18 0.00 0.00 39.33 40.48 2pnk h ASP 172 CO 0.00 -0.20 0.31 -0.65 -3.12 0.00 0.00 179.24 175.58 2pnk h PRO 173 N -0.04 0.71 -0.04 3.56 0.11 -1.95 0.22 132.00 134.57 2pnk h PRO 173 Ca 0.24 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 2pnk h PRO 173 Cb 0.41 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 2pnk h PRO 173 CO -0.54 0.50 -0.03 1.25 -0.21 0.00 0.00 178.00 178.97 2pnk h LEU 174 N 0.72 0.10 0.22 2.35 5.85 -1.50 -2.46 115.31 120.60 2pnk h LEU 174 Ca 0.19 -0.46 -0.32 0.00 0.84 0.00 0.00 57.88 58.12 2pnk h LEU 174 Cb -0.02 -0.03 0.03 0.00 0.37 0.00 0.00 40.66 41.01 2pnk h LEU 174 CO -0.04 0.54 -1.45 -0.07 -0.34 0.00 0.00 178.44 177.09 2pnk h LEU 175 N -0.34 0.72 0.00 2.25 3.38 -1.02 -3.25 115.31 117.05 2pnk h LEU 175 Ca 0.01 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.18 2pnk h LEU 175 Cb 0.51 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2pnk h LEU 175 CO 0.01 1.63 -1.34 0.59 0.09 0.00 0.00 178.44 179.42 2pnk n ASN 176 N -3.66 0.50 -2.03 -0.43 3.02 0.76 -3.73 115.26 109.70 2pnk n ASN 176 Ca -0.15 -0.20 0.01 0.00 -0.03 0.00 0.00 54.58 54.21 2pnk n ASN 176 Cb 1.08 1.18 0.05 0.00 -0.61 0.00 0.00 39.78 41.48 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 -2.07 1.05 -0.27 3.52 1.02 -0.93 -4.94 120.64 118.01 2pnk n GLU 177 Ca 0.00 -2.85 0.10 0.00 -0.02 0.00 0.00 57.16 54.40 2pnk n GLU 177 Cb 0.48 -0.92 0.35 0.00 -0.02 0.00 0.00 31.44 31.33 2pnk n GLU 177 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2pnk h TYR 178 N 1.74 0.86 -0.72 -0.32 3.20 -1.58 -0.69 116.97 119.47 2pnk h TYR 178 Ca -0.14 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 2pnk h TYR 178 Cb 1.56 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 2pnk h TYR 178 CO 0.39 0.34 0.45 1.49 -1.64 0.00 0.00 178.16 179.19 2pnk h GLU 179 N 0.75 0.96 0.21 1.82 4.57 -1.90 0.34 114.58 121.33 2pnk h GLU 179 Ca 0.44 -0.07 -0.34 0.00 -1.18 0.00 0.00 59.36 58.21 2pnk h GLU 179 Cb 0.62 -0.21 0.02 0.00 -0.16 0.00 0.00 28.75 29.02 2pnk h GLU 179 CO -0.20 0.66 -1.60 1.96 -1.18 0.00 0.00 179.01 178.65 2pnk h GLN 180 N 0.98 0.44 -0.15 1.92 7.50 -1.75 -3.38 115.11 120.67 2pnk h GLN 180 Ca 0.26 -0.75 -0.09 0.00 0.50 0.00 0.00 58.65 58.57 2pnk h GLN 180 Cb -0.06 0.28 -0.01 0.00 0.05 0.00 0.00 27.48 27.73 2pnk h GLN 180 CO -0.05 1.36 -0.32 1.15 -1.50 0.00 0.00 178.83 179.47 2pnk h THR 181 N 0.08 1.27 -0.60 -0.54 2.02 -0.78 -2.92 112.91 111.44 2pnk h THR 181 Ca -0.30 -1.31 0.11 0.00 0.77 0.00 0.00 66.41 65.68 2pnk h THR 181 Cb 2.09 1.51 -0.11 0.00 -1.74 0.00 0.00 68.15 69.90 2pnk h THR 181 CO 0.21 0.40 -0.18 0.29 0.37 0.00 0.00 175.52 176.61 2pnk n LYS 182 N -4.10 -0.08 0.13 6.66 5.02 0.12 -1.09 118.16 124.81 2pnk n LYS 182 Ca -0.01 0.94 -0.02 0.00 -2.02 0.00 0.00 58.31 57.20 2pnk n LYS 182 Cb 0.42 -1.40 0.17 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.07 -0.18 2.13 3.86 -1.76 -1.76 115.15 117.51 2pnk h HIS 183 Ca 0.27 -0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 59.24 2pnk h HIS 183 Cb 0.42 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.88 2pnk h HIS 183 CO -0.48 0.65 -0.69 0.00 0.86 0.00 0.00 177.93 178.27 2pnk h ARG 184 N 0.04 0.78 -0.67 2.45 3.08 -1.24 -2.26 114.38 116.56 2pnk h ARG 184 Ca -0.01 -0.60 0.06 0.00 0.07 0.00 0.00 59.98 59.51 2pnk h ARG 184 Cb 1.08 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.19 2pnk h ARG 184 CO 0.08 1.21 0.37 -0.07 -1.07 0.00 0.00 179.97 180.49 2pnk h LEU 185 N 0.51 0.54 -0.38 3.04 3.38 -0.97 -1.79 115.31 119.64 2pnk h LEU 185 Ca -0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2pnk h LEU 185 Cb 1.31 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2pnk h LEU 185 CO 0.14 0.35 0.20 0.03 0.09 0.00 0.00 178.44 179.25 2pnk h ARG 186 N 0.68 0.54 -0.76 1.13 3.08 -1.26 0.34 114.38 118.12 2pnk h ARG 186 Ca 0.30 -0.07 0.13 0.00 0.07 0.00 0.00 59.98 60.41 2pnk h ARG 186 Cb 0.20 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 2pnk h ARG 186 CO -0.19 0.46 0.50 -0.44 -1.07 0.00 0.00 179.97 179.23 2pnk h ASP 187 N 0.48 0.49 0.22 7.04 3.32 -1.02 -0.71 116.42 126.24 2pnk h ASP 187 Ca 0.13 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2pnk h ASP 187 Cb 0.09 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2pnk h ASP 187 CO -0.02 0.27 -0.05 0.79 -1.72 0.00 0.00 179.24 178.51 2pnk n TRP 188 N -4.50 0.00 -0.12 4.55 8.01 -0.71 -4.92 117.44 119.76 2pnk n TRP 188 Ca 0.14 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.33 2pnk n TRP 188 Cb 0.45 -0.11 0.00 0.00 -2.01 0.00 0.00 31.31 29.64 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 1.18 0.87 3.45 6.99 0.00 -0.27 -5.05 105.19 112.36 2pnk n GLY 189 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 2pnk n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pnk s TYR 190 N -2.04 3.04 -1.36 1.61 2.02 0.07 -4.97 117.35 115.72 2pnk s TYR 190 Ca 0.00 -0.49 -0.10 0.00 -0.37 0.00 0.00 57.07 56.10 2pnk s TYR 190 Cb 0.00 -3.55 0.11 0.00 -0.40 0.00 0.00 41.96 38.12 2pnk s TYR 190 CO 0.00 -1.04 2.10 1.63 -1.57 0.00 0.00 175.55 176.68 2pnk n LYS 191 N 6.23 3.50 -2.45 -0.62 4.76 -1.26 -3.10 118.16 125.22 2pnk n LYS 191 Ca -0.06 -3.16 -0.40 0.00 -2.87 0.00 0.00 58.31 51.82 2pnk n LYS 191 Cb 0.46 -2.99 -0.04 0.00 -1.84 0.00 0.00 35.03 30.61 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 1.17 3.43 0.63 -0.18 -7.23 -1.26 -4.58 120.40 112.38 2pnk s VAL 192 Ca 0.45 1.43 -0.02 0.00 -1.81 0.00 0.00 61.98 62.03 2pnk s VAL 192 Cb 0.12 -3.90 0.06 0.00 0.56 0.00 0.00 36.38 33.22 2pnk s VAL 192 CO -0.04 0.33 0.90 0.20 -0.31 0.00 0.00 175.10 176.18 2pnk s ASN 193 N -0.87 4.95 0.18 4.85 0.01 -1.26 -4.97 114.94 117.82 2pnk s ASN 193 Ca 0.45 0.11 -0.10 0.00 -0.71 0.00 0.00 52.86 52.62 2pnk s ASN 193 Cb -0.32 -0.83 0.07 0.00 0.41 0.00 0.00 41.25 40.58 2pnk s ASN 193 CO 0.42 -1.43 1.66 0.44 -1.51 0.00 0.00 177.10 176.68 2pnk h ASP 194 N -0.27 1.02 -3.92 -1.22 3.32 -2.03 -3.43 116.42 109.88 2pnk h ASP 194 Ca -0.42 -0.28 -0.46 0.00 0.02 0.00 0.00 57.03 55.89 2pnk h ASP 194 Cb 1.30 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 2pnk h ASP 194 CO 0.53 1.04 0.27 -1.61 -1.72 0.00 0.00 179.24 177.75 2pnk s GLU 195 N -5.15 4.25 -0.96 3.56 8.01 -1.26 -5.01 118.70 122.15 2pnk s GLU 195 Ca -0.12 1.04 -0.20 0.00 0.01 0.00 0.00 54.97 55.70 2pnk s GLU 195 Cb 0.14 -2.40 0.10 0.00 -4.31 0.00 0.00 34.13 27.65 2pnk s GLU 195 CO 0.85 0.10 1.24 -0.46 0.01 0.00 0.00 175.26 177.00 2pnk s TRP 196 N -1.98 2.90 0.13 1.61 -0.11 -1.26 -4.69 118.94 115.53 2pnk s TRP 196 Ca 0.57 -1.18 0.00 0.00 1.22 0.00 0.00 56.10 56.71 2pnk s TRP 196 Cb -0.12 -4.44 -0.00 0.00 -1.50 0.00 0.00 33.47 27.42 2pnk s TRP 196 CO 0.17 -1.66 0.02 0.27 -4.62 0.00 0.00 176.95 171.13 2pnk n ASN 197 N 7.41 1.83 -0.31 5.86 0.23 -1.26 -4.97 115.26 124.06 2pnk n ASN 197 Ca 0.27 -1.59 0.02 0.00 -0.53 0.00 0.00 54.58 52.75 2pnk n ASN 197 Cb 0.50 0.17 0.20 0.00 -2.08 0.00 0.00 39.78 38.57 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 1.09 -0.69 -3.83 -0.00 -1.99 -0.57 114.58 108.59 2pnk h GLU 198 Ca -0.10 -0.07 -0.08 0.00 -0.00 0.00 0.00 59.36 59.12 2pnk h GLU 198 Cb 0.34 -0.25 -0.03 0.00 -0.00 0.00 0.00 28.75 28.81 2pnk h GLU 198 CO 0.17 0.72 0.14 0.78 -0.00 0.00 0.00 179.01 180.81 2pnk h GLY 199 N 1.12 1.21 0.66 1.06 0.00 -1.95 0.13 103.07 105.31 2pnk h GLY 199 Ca 0.36 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 2pnk h GLY 199 CO -0.11 0.73 -0.07 1.76 0.00 0.00 0.00 176.54 178.85 2pnk h SER 200 N 1.06 0.21 -0.34 0.19 0.02 -1.69 -1.86 113.55 111.15 2pnk h SER 200 Ca 0.21 -0.46 0.06 0.00 -0.84 0.00 0.00 61.79 60.77 2pnk h SER 200 Cb 0.42 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 2pnk h SER 200 CO 0.01 0.63 -0.03 0.40 -1.14 0.00 0.00 176.83 176.70 2pnk h ILE 201 N -0.20 0.72 -0.62 3.27 2.04 -1.03 -1.14 117.51 120.55 2pnk h ILE 201 Ca 0.02 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 2pnk h ILE 201 Cb 0.56 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2pnk h ILE 201 CO 0.02 0.01 0.15 1.56 0.00 0.00 0.00 178.15 179.89 2pnk h GLN 202 N 0.06 1.00 -0.33 2.37 1.08 -0.98 -1.93 115.11 116.40 2pnk h GLN 202 Ca 0.16 -0.24 -0.12 0.00 -1.45 0.00 0.00 58.65 57.00 2pnk h GLN 202 Cb 0.23 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2pnk h GLN 202 CO -0.30 0.91 -0.28 0.93 -0.95 0.00 0.00 178.83 179.14 2pnk h GLU 203 N 0.92 0.67 -0.54 1.46 4.39 -1.04 -1.20 114.58 119.25 2pnk h GLU 203 Ca 0.20 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 2pnk h GLU 203 Cb 0.36 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2pnk h GLU 203 CO 0.00 0.88 -0.06 0.28 -1.16 0.00 0.00 179.01 178.96 2pnk h VAL 204 N 0.58 1.26 -0.70 3.13 2.07 -1.09 -1.56 116.25 119.94 2pnk h VAL 204 Ca 0.07 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 2pnk h VAL 204 Cb 0.77 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2pnk h VAL 204 CO 0.06 0.42 0.36 0.11 0.02 0.00 0.00 177.57 178.54 2pnk h LYS 205 N 0.87 0.99 -0.78 1.57 1.57 -1.16 -2.26 116.57 117.36 2pnk h LYS 205 Ca 0.15 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2pnk h LYS 205 Cb 0.59 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2pnk h LYS 205 CO 0.04 0.76 0.46 -0.09 -0.57 0.00 0.00 179.45 180.05 2pnk h ARG 206 N 0.96 1.06 -0.05 3.15 2.43 -0.95 1.00 114.38 121.98 2pnk h ARG 206 Ca 0.24 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 2pnk h ARG 206 Cb 0.08 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 2pnk h ARG 206 CO -0.03 0.76 -0.14 0.35 -1.51 0.00 0.00 179.97 179.40 2pnk h PHE 207 N 1.07 -0.36 0.21 2.20 3.57 -1.04 0.66 116.94 123.25 2pnk h PHE 207 Ca 0.28 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2pnk h PHE 207 Cb -0.02 0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.89 2pnk h PHE 207 CO -0.00 -0.21 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.70 2pnk h LEU 208 N -0.21 -0.24 -1.17 0.59 3.38 -1.06 -2.15 115.31 114.46 2pnk h LEU 208 Ca 0.07 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2pnk h LEU 208 Cb 0.30 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2pnk h LEU 208 CO -0.18 -0.17 0.57 0.74 0.09 0.00 0.00 178.44 179.50 2pnk h THR 209 N -0.28 1.11 -0.35 0.22 2.02 -0.61 0.25 112.91 115.26 2pnk h THR 209 Ca -0.03 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 2pnk h THR 209 Cb 0.21 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 2pnk h THR 209 CO 0.05 0.19 -0.04 0.44 0.37 0.00 0.00 175.52 176.53 2pnk h ASP 210 N 1.04 0.65 0.42 4.18 3.32 -0.72 -0.33 116.42 124.98 2pnk h ASP 210 Ca 0.36 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 2pnk h ASP 210 Cb 0.11 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2pnk h ASP 210 CO -0.12 0.83 -0.50 -0.50 -1.72 0.00 0.00 179.24 177.23 2pnk h TRP 211 N 0.45 0.12 -0.36 4.55 4.06 -0.82 -1.63 115.95 122.32 2pnk h TRP 211 Ca 0.10 -0.04 -0.05 0.00 2.06 0.00 0.00 58.89 60.96 2pnk h TRP 211 Cb 0.52 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 2pnk h TRP 211 CO 0.04 0.58 0.04 0.82 -3.56 0.00 0.00 178.44 176.36 2pnk h ILE 212 N 0.08 1.24 -0.37 1.49 2.04 -0.28 -2.96 117.51 118.76 2pnk h ILE 212 Ca 0.00 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 2pnk h ILE 212 Cb 0.91 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2pnk h ILE 212 CO 0.07 0.30 0.07 -0.33 0.00 0.00 0.00 178.15 178.26 2pnk h GLU 213 N 0.44 0.54 0.00 2.37 5.08 -0.88 -0.44 114.58 121.69 2pnk h GLU 213 Ca 0.11 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2pnk h GLU 213 Cb 0.39 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2pnk h GLU 213 CO 0.01 0.51 0.00 -2.13 -1.00 0.00 0.00 179.01 176.40 2pnk n ARG 214 N -4.33 0.83 0.00 2.33 3.00 -0.63 -5.05 116.66 112.81 2pnk n ARG 214 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 2pnk n ARG 214 Cb 0.20 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.34 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 -4.79 6.15 2.03 -0.17 -5.10 116.55 113.85 2pnk n ASP 216 Ca 0.13 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.08 2pnk n ASP 216 Cb 0.06 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.42 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 3.95 0.33 -0.67 0.04 -1.26 -4.59 135.00 132.81 2pnk s PRO 217 Ca 0.00 1.48 0.18 0.00 0.04 0.00 0.00 61.00 62.69 2pnk s PRO 217 Cb 0.00 -2.33 0.20 0.00 0.04 0.00 0.00 34.50 32.41 2pnk s PRO 217 CO 0.00 -0.32 1.51 -0.39 0.04 0.00 0.00 177.00 177.84 2pnk h VAL 218 N 1.87 0.63 0.00 -0.36 -1.51 -1.46 -3.48 116.25 111.94 2pnk h VAL 218 Ca -0.49 -1.84 0.00 0.00 -1.23 0.00 0.00 66.70 63.14 2pnk h VAL 218 Cb 1.22 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 32.66 2pnk h VAL 218 CO 0.61 0.35 0.00 0.00 -1.23 0.00 0.00 177.57 177.30 2pnk n TYR 219 N -3.21 0.00 0.00 5.19 0.18 -1.26 -4.29 117.16 113.77 2pnk n TYR 219 Ca 0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.80 2pnk n TYR 219 Cb 0.66 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.62 2pnk n TYR 219 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2pnk n ALA 221 N -3.00 0.00 -3.08 -3.48 0.00 0.41 -2.01 120.51 109.36 2pnk n ALA 221 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2pnk n ALA 221 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2pnk n ALA 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pnk s VAL 222 N -1.77 0.02 -0.16 0.00 0.11 -0.23 -0.50 120.40 117.87 2pnk s VAL 222 Ca 0.00 -0.17 -0.15 0.00 -2.93 0.00 0.00 61.98 58.73 2pnk s VAL 222 Cb 0.00 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 2pnk s VAL 222 CO 0.00 -0.09 0.34 -0.44 -3.33 0.00 0.00 175.10 171.57 2pnk s SER 223 N -0.28 6.47 0.12 3.54 0.01 -1.26 -4.74 113.70 117.56 2pnk s SER 223 Ca -0.04 0.55 0.09 0.00 1.31 0.00 0.00 55.95 57.86 2pnk s SER 223 Cb -0.03 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 2pnk s SER 223 CO 0.01 0.05 -0.22 -0.76 0.41 0.00 0.00 173.24 172.72 2pnk s LEU 224 N 0.65 2.32 0.75 2.44 1.43 -1.26 -4.94 118.68 120.07 2pnk s LEU 224 Ca 0.18 -0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 52.44 2pnk s LEU 224 Cb -0.14 -0.98 0.05 0.00 0.03 0.00 0.00 46.19 45.15 2pnk s LEU 224 CO 0.06 0.09 1.13 -2.16 0.23 0.00 0.00 176.35 175.69 2pnk s PRO 225 N -2.06 2.37 0.50 1.29 0.04 -1.25 -0.43 135.00 135.46 2pnk s PRO 225 Ca 0.10 0.23 0.17 0.00 0.04 0.00 0.00 61.00 61.53 2pnk s PRO 225 Cb -0.10 -2.00 1.22 0.00 0.04 0.00 0.00 34.50 33.67 2pnk s PRO 225 CO 0.05 -1.32 2.09 -1.35 0.04 0.00 0.00 177.00 176.51 2pnk h PRO 226 N -0.84 0.10 -0.07 0.56 0.11 -1.77 -1.31 132.00 128.77 2pnk h PRO 226 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pnk h PRO 226 Cb 1.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2pnk h PRO 226 CO 0.65 0.07 0.00 0.25 -0.21 0.00 0.00 178.00 178.75 2pnk n THR 227 N -4.49 0.10 -1.66 -1.15 -2.24 -1.26 -3.89 114.28 99.69 2pnk n THR 227 Ca 0.02 -0.10 -0.48 0.00 -2.27 0.00 0.00 64.05 61.22 2pnk n THR 227 Cb 0.22 0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.30 2.14 -4.10 4.78 7.35 -0.49 -4.99 117.46 121.84 2pnk n PHE 228 Ca 0.04 0.30 -0.15 0.00 -0.76 0.00 0.00 57.45 56.89 2pnk n PHE 228 Cb 0.07 -2.52 -0.12 0.00 0.35 0.00 0.00 39.48 37.27 2pnk n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2pnk s SER 229 N 1.42 1.12 -0.22 -2.13 0.01 -1.26 -4.69 113.70 107.95 2pnk s SER 229 Ca 0.83 -0.59 -0.15 0.00 1.31 0.00 0.00 55.95 57.34 2pnk s SER 229 Cb -0.74 0.01 0.06 0.00 0.21 0.00 0.00 66.02 65.56 2pnk s SER 229 CO 0.43 -0.17 0.55 0.12 0.41 0.00 0.00 173.24 174.57 2pnk s PHE 230 N -1.43 -0.73 0.88 2.43 2.19 -1.26 -4.44 117.98 115.63 2pnk s PHE 230 Ca -0.07 1.60 -0.11 0.00 0.33 0.00 0.00 56.93 58.68 2pnk s PHE 230 Cb -0.09 0.34 0.13 0.00 -1.31 0.00 0.00 43.02 42.08 2pnk s PHE 230 CO 0.01 -0.37 1.17 -2.14 1.83 0.00 0.00 175.22 175.72 2pnk s PRO 231 N 0.97 1.18 -0.22 10.12 0.02 -1.26 -4.26 135.00 141.55 2pnk s PRO 231 Ca -0.05 1.63 -0.18 0.00 0.02 0.00 0.00 61.00 62.42 2pnk s PRO 231 Cb -0.05 -1.74 0.06 0.00 0.02 0.00 0.00 34.50 32.79 2pnk s PRO 231 CO -0.09 -2.53 0.56 -2.00 -0.33 0.00 0.00 177.00 172.61 2pnk s GLU 232 N -4.48 0.63 -1.16 5.54 2.12 -1.26 -5.07 118.70 115.02 2pnk s GLU 232 Ca 0.69 0.85 -0.17 0.00 0.36 0.00 0.00 54.97 56.70 2pnk s GLU 232 Cb -0.25 0.25 0.12 0.00 0.26 0.00 0.00 34.13 34.51 2pnk s GLU 232 CO 0.56 -0.10 1.46 -1.21 -0.54 0.00 0.00 175.26 175.42 2pnk s GLU 233 N 0.64 3.92 0.28 4.30 0.41 -1.26 -4.02 118.70 122.98 2pnk s GLU 233 Ca -0.03 -2.12 -0.08 0.00 -0.41 0.00 0.00 54.97 52.34 2pnk s GLU 233 Cb -0.05 -5.19 -0.00 0.00 -1.78 0.00 0.00 34.13 27.11 2pnk s GLU 233 CO -0.04 -1.95 0.45 -1.54 -0.49 0.00 0.00 175.26 171.70 2pnk s SER 234 N 3.58 0.31 0.21 -0.19 1.04 -1.26 -5.00 113.70 112.40 2pnk s SER 234 Ca 0.44 -1.20 -0.09 0.00 0.48 0.00 0.00 55.95 55.58 2pnk s SER 234 Cb -0.01 0.60 0.17 0.00 0.10 0.00 0.00 66.02 66.88 2pnk s SER 234 CO -0.01 -1.19 1.86 0.78 0.98 0.00 0.00 173.24 175.66 2pnk h ASN 235 N 2.23 0.95 0.02 7.02 2.35 -1.91 -1.43 115.58 124.81 2pnk h ASN 235 Ca -0.28 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2pnk h ASN 235 Cb 1.25 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.38 2pnk h ASN 235 CO 0.39 0.73 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.81 2pnk h ARG 236 N 1.08 -0.02 -0.76 0.81 2.43 -1.91 -0.03 114.38 115.98 2pnk h ARG 236 Ca 0.28 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.52 2pnk h ARG 236 Cb -0.04 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 2pnk h ARG 236 CO -0.05 0.12 0.45 0.78 -1.51 0.00 0.00 179.97 179.75 2pnk h GLY 237 N -0.15 1.13 0.89 2.80 0.00 -1.70 -0.80 103.07 105.24 2pnk h GLY 237 Ca -0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 2pnk h GLY 237 CO 0.00 0.20 -0.36 3.21 0.00 0.00 0.00 176.54 179.60 2pnk h ARG 238 N 0.82 0.56 -0.51 4.80 3.08 -1.07 -2.13 114.38 119.93 2pnk h ARG 238 Ca 0.34 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 2pnk h ARG 238 Cb 0.19 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2pnk h ARG 238 CO -0.18 0.97 0.11 0.82 -1.07 0.00 0.00 179.97 180.62 2pnk h ILE 239 N 0.22 1.24 0.05 2.04 2.04 -0.85 0.38 117.51 122.64 2pnk h ILE 239 Ca 0.01 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 64.99 2pnk h ILE 239 Cb 0.96 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2pnk h ILE 239 CO 0.08 0.32 -0.11 0.40 0.00 0.00 0.00 178.15 178.84 2pnk h ILE 240 N 0.71 0.73 -0.14 -0.67 2.04 -1.17 -0.59 117.51 118.43 2pnk h ILE 240 Ca 0.16 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 2pnk h ILE 240 Cb 0.36 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2pnk h ILE 240 CO 0.00 0.00 0.01 -0.09 0.00 0.00 0.00 178.15 178.07 2pnk h ARG 241 N -0.22 0.24 0.00 2.37 2.43 -1.16 -1.50 114.38 116.54 2pnk h ARG 241 Ca 0.02 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2pnk h ARG 241 Cb 0.24 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2pnk h ARG 241 CO -0.07 0.46 -1.31 -0.25 -1.51 0.00 0.00 179.97 177.29 2pnk n ASP 242 N -4.78 0.59 0.04 -3.80 8.00 0.11 -4.45 116.55 112.25 2pnk n ASP 242 Ca -0.05 0.22 -0.00 0.00 0.71 0.00 0.00 54.79 55.66 2pnk n ASP 242 Cb 0.20 0.93 -0.00 0.00 -0.02 0.00 0.00 41.12 42.23 2pnk n ASP 242 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pnk h LEU 244 N -0.00 0.11 -0.34 0.00 6.46 -1.19 -2.51 115.31 117.84 2pnk h LEU 244 Ca -0.00 -0.53 -0.05 0.00 -0.12 0.00 0.00 57.88 57.18 2pnk h LEU 244 Cb 0.15 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 2pnk h LEU 244 CO -0.00 0.61 0.02 -0.07 -0.62 0.00 0.00 178.44 178.38 2pnk h LEU 245 N -0.39 0.57 -0.63 2.25 3.38 -1.51 -0.11 115.31 118.86 2pnk h LEU 245 Ca 0.00 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.70 2pnk h LEU 245 Cb 0.59 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2pnk h LEU 245 CO 0.01 0.72 0.41 -0.65 0.09 0.00 0.00 178.44 179.02 2pnk h PRO 246 N 0.39 0.79 -0.56 1.13 0.11 -1.78 -1.36 132.00 130.72 2pnk h PRO 246 Ca 0.10 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.06 2pnk h PRO 246 Cb 0.42 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 2pnk h PRO 246 CO 0.01 0.52 -0.06 0.28 -0.21 0.00 0.00 178.00 178.55 2pnk h VAL 247 N 0.81 1.27 -0.58 3.15 2.07 -1.34 -1.56 116.25 120.07 2pnk h VAL 247 Ca 0.24 -1.20 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 2pnk h VAL 247 Cb -0.04 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2pnk h VAL 247 CO -0.08 0.43 0.05 0.00 0.02 0.00 0.00 177.57 178.00 2pnk h ALA 248 N 1.00 0.78 -0.11 1.67 0.00 -0.86 -2.19 119.26 119.55 2pnk h ALA 248 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2pnk h ALA 248 Cb 0.61 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2pnk h ALA 248 CO 0.04 0.56 0.00 1.49 0.00 0.00 0.00 179.25 181.35 2pnk h GLU 249 N 0.88 0.20 -0.46 0.00 4.81 -1.18 0.17 114.58 119.00 2pnk h GLU 249 Ca 0.17 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 2pnk h GLU 249 Cb 0.48 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.77 2pnk h GLU 249 CO 0.02 0.44 0.06 -0.22 -0.73 0.00 0.00 179.01 178.57 2pnk h LYS 250 N -0.07 0.18 -0.01 1.92 3.64 -1.19 -2.09 116.57 118.96 2pnk h LYS 250 Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2pnk h LYS 250 Cb 0.35 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2pnk h LYS 250 CO 0.01 0.12 -0.14 0.72 -2.27 0.00 0.00 179.45 177.88 2pnk n HIS 251 N -5.15 0.00 -3.69 1.91 8.25 -0.83 -4.95 115.22 110.76 2pnk n HIS 251 Ca 0.04 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.25 2pnk n HIS 251 Cb 0.23 -0.10 0.06 0.00 1.12 0.00 0.00 29.99 31.30 2pnk n HIS 251 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2pnk n ASN 252 N -0.54 -4.96 -4.69 0.41 3.02 -0.00 -5.01 115.26 103.49 2pnk n ASN 252 Ca 0.15 -0.65 -0.35 0.00 -0.03 0.00 0.00 54.58 53.70 2pnk n ASN 252 Cb 0.32 -4.61 -0.09 0.00 -0.61 0.00 0.00 39.78 34.80 2pnk n ASN 252 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pnk s ILE 253 N -3.35 5.25 0.63 2.41 1.01 0.38 -4.87 121.20 122.66 2pnk s ILE 253 Ca 0.50 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 61.11 2pnk s ILE 253 Cb -0.23 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 2pnk s ILE 253 CO 0.77 0.43 1.13 -2.84 0.00 0.00 0.00 174.94 174.43 2pnk s PRO 254 N 0.49 2.89 -0.35 2.79 0.02 -1.26 -4.56 135.00 135.02 2pnk s PRO 254 Ca 0.07 1.52 -0.12 0.00 0.02 0.00 0.00 61.00 62.49 2pnk s PRO 254 Cb -0.12 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2pnk s PRO 254 CO -0.00 -1.20 0.22 0.12 -0.33 0.00 0.00 177.00 175.80 2pnk s PHE 255 N -2.10 3.22 0.45 6.54 5.36 0.04 -4.57 117.98 126.92 2pnk s PHE 255 Ca 0.70 -0.54 -0.01 0.00 -0.96 0.00 0.00 56.93 56.12 2pnk s PHE 255 Cb -0.23 -2.45 -0.01 0.00 -0.34 0.00 0.00 43.02 39.99 2pnk s PHE 255 CO 0.37 -0.49 0.68 0.00 -1.46 0.00 0.00 175.22 174.33 2pnk s ALA 256 N 1.65 3.67 -0.30 11.12 0.00 -1.26 -0.92 121.76 135.72 2pnk s ALA 256 Ca 0.05 -0.95 -0.21 0.00 0.00 0.00 0.00 51.96 50.85 2pnk s ALA 256 Cb -0.18 -2.22 0.19 0.00 0.00 0.00 0.00 23.12 20.91 2pnk s ALA 256 CO 0.08 -0.36 1.31 0.42 0.00 0.00 0.00 175.76 177.21 2pnk s ILE 259 N -2.58 0.00 0.00 0.00 1.01 -0.53 -1.07 121.20 118.04 2pnk s ILE 259 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.12 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 0.39 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.94 2pnk n GLY 260 N 2.34 1.11 3.70 6.18 0.00 0.43 -0.91 105.19 118.03 2pnk n GLY 260 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.84 5.01 -0.36 1.61 0.11 -0.90 -1.15 120.40 122.88 2pnk s VAL 261 Ca 0.00 1.43 -0.07 0.00 -2.93 0.00 0.00 61.98 60.40 2pnk s VAL 261 Cb 0.00 -4.04 0.05 0.00 -1.53 0.00 0.00 36.38 30.86 2pnk s VAL 261 CO 0.00 0.18 0.16 -0.75 -3.33 0.00 0.00 175.10 171.35 2pnk s LYS 262 N 1.31 2.61 0.31 1.54 2.20 -0.36 -3.83 119.74 123.52 2pnk s LYS 262 Ca 0.36 -1.26 -0.28 0.00 -0.36 0.00 0.00 55.97 54.43 2pnk s LYS 262 Cb -0.17 -3.57 -0.09 0.00 -1.51 0.00 0.00 37.83 32.49 2pnk s LYS 262 CO 0.15 -0.75 1.09 0.15 -0.36 0.00 0.00 175.35 175.63 2pnk s LYS 263 N 1.41 4.52 -1.32 4.03 -0.14 -1.26 -0.20 119.74 126.78 2pnk s LYS 263 Ca 0.00 1.75 -0.07 0.00 -1.36 0.00 0.00 55.97 56.29 2pnk s LYS 263 Cb -0.20 -3.04 -0.00 0.00 -1.68 0.00 0.00 37.83 32.91 2pnk s LYS 263 CO 0.03 0.12 0.53 0.54 -0.76 0.00 0.00 175.35 175.81 2pnk n ARG 264 N 0.88 -2.62 0.23 1.68 5.12 -1.21 -4.87 116.66 115.87 2pnk n ARG 264 Ca 0.00 0.41 0.11 0.00 -1.93 0.00 0.00 57.85 56.43 2pnk n ARG 264 Cb 0.46 -4.33 0.47 0.00 -1.16 0.00 0.00 32.46 27.89 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 -1.89 0.49 -2.71 1.55 -1.51 -1.22 -3.34 116.25 107.62 2pnk h VAL 265 Ca -0.64 -1.07 -0.60 0.00 -1.23 0.00 0.00 66.70 63.15 2pnk h VAL 265 Cb 1.37 1.75 -0.40 0.00 -2.13 0.00 0.00 31.29 31.89 2pnk h VAL 265 CO 0.58 0.20 -0.78 -2.28 -1.23 0.00 0.00 177.57 174.06 2pnk s HIS 266 N -3.63 2.29 0.28 5.19 5.65 -0.83 -5.02 115.29 119.22 2pnk s HIS 266 Ca 0.01 -2.82 0.02 0.00 0.25 0.00 0.00 55.06 52.52 2pnk s HIS 266 Cb 0.10 -1.78 0.66 0.00 -1.18 0.00 0.00 32.58 30.38 2pnk s HIS 266 CO 0.63 -0.69 1.72 -1.35 -0.65 0.00 0.00 174.74 174.40 2pnk h PRO 267 N 5.51 0.46 -0.05 2.88 0.11 -1.83 -1.68 132.00 137.40 2pnk h PRO 267 Ca 0.21 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.31 2pnk h PRO 267 Cb 0.83 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 2pnk h PRO 267 CO 0.54 0.31 0.04 0.00 -0.21 0.00 0.00 178.00 178.68 2pnk h ALA 268 N 1.66 1.93 0.00 -0.75 0.00 -1.95 -0.75 119.26 119.39 2pnk h ALA 268 Ca 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2pnk h ALA 268 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2pnk h ALA 268 CO -0.47 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 179.99 2pnk n LEU 269 N -4.34 0.00 0.00 0.00 4.77 -0.63 -4.98 117.00 111.82 2pnk n LEU 269 Ca -0.02 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2pnk n LEU 269 Cb 0.14 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2pnk n LEU 269 CO 0.32 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2pnk n GLY 270 N 0.60 3.36 0.39 -0.72 0.00 -0.29 -1.92 105.19 106.60 2pnk n GLY 270 Ca 0.14 -0.06 0.21 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.02 1.61 3.32 -1.94 0.22 116.42 119.61 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 -2.42 2.56 -0.28 3.45 0.00 -0.81 -4.27 120.51 118.75 2pnk n ALA 272 Ca 0.08 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.51 2pnk n ALA 272 Cb 0.63 -1.18 0.28 0.00 0.00 0.00 0.00 19.45 19.18 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 0.72 2.49 3.88 0.00 0.00 0.77 -4.87 105.19 108.18 2pnk n GLY 273 Ca 0.09 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.03 6.55 0.14 1.61 1.01 -1.26 -0.91 116.67 122.78 2pnk s ASP 274 Ca 0.42 0.65 0.00 0.00 0.71 0.00 0.00 52.55 54.33 2pnk s ASP 274 Cb 0.22 -2.12 -0.00 0.00 1.01 0.00 0.00 42.92 42.03 2pnk s ASP 274 CO 0.29 0.16 0.00 0.33 0.21 0.00 0.00 175.17 176.17 2pnk n PHE 275 N 0.73 0.32 -4.15 4.23 7.35 0.73 -4.93 117.46 121.74 2pnk n PHE 275 Ca -0.07 -0.72 -0.13 0.00 -0.76 0.00 0.00 57.45 55.77 2pnk n PHE 275 Cb 0.52 -0.09 -0.11 0.00 0.35 0.00 0.00 39.48 40.15 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 -1.54 0.81 -0.04 -2.13 0.11 -1.26 -1.23 120.40 115.12 2pnk s VAL 276 Ca 0.00 -1.56 -0.22 0.00 -2.93 0.00 0.00 61.98 57.27 2pnk s VAL 276 Cb 0.00 -1.24 0.05 0.00 -1.53 0.00 0.00 36.38 33.66 2pnk s VAL 276 CO 0.00 -0.57 0.49 -0.83 -3.33 0.00 0.00 175.10 170.87 2pnk s GLY 277 N -2.33 -0.36 0.21 6.54 0.00 -0.30 -4.83 107.32 106.25 2pnk s GLY 277 Ca 0.03 0.85 -0.30 0.00 0.00 0.00 0.00 44.72 45.30 2pnk s GLY 277 CO -0.01 0.58 1.36 1.25 0.00 0.00 0.00 173.10 176.28 2pnk s LYS 278 N -1.16 4.34 0.17 2.90 2.20 -1.26 -4.48 119.74 122.44 2pnk s LYS 278 Ca -0.12 2.15 0.04 0.00 -0.36 0.00 0.00 55.97 57.69 2pnk s LYS 278 Cb -0.03 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 2pnk s LYS 278 CO 0.07 -0.33 0.23 0.00 -0.36 0.00 0.00 175.35 174.96 2pnk s ALA 279 N 0.11 3.80 1.00 3.13 0.00 -1.26 -4.76 121.76 123.79 2pnk s ALA 279 Ca 0.58 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2pnk s ALA 279 Cb -0.39 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.14 2pnk s ALA 279 CO 0.40 0.48 0.00 0.45 0.00 0.00 0.00 175.76 177.09 2pnk n SER 280 N -0.58 0.00 0.00 0.00 2.88 -1.25 -4.95 113.62 109.71 2pnk n SER 280 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2pnk n SER 280 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.15 -3.46 9.92 -1.26 -4.73 116.55 116.87 2pnk n ASP 282 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 2pnk n ASP 282 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 2pnk n ASP 282 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2pnk h GLY 283 N 0.00 0.88 0.90 0.44 0.00 -1.85 0.17 103.07 103.62 2pnk h GLY 283 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 2pnk h GLY 283 CO 0.00 0.64 0.05 -2.08 0.00 0.00 0.00 176.54 175.14 2pnk h VAL 284 N 0.65 1.24 -0.23 4.60 2.07 -1.88 -1.39 116.25 121.30 2pnk h VAL 284 Ca 0.12 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2pnk h VAL 284 Cb 0.58 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2pnk h VAL 284 CO 0.03 0.28 0.10 -0.08 0.02 0.00 0.00 177.57 177.92 2pnk h GLU 285 N 0.37 0.22 -0.15 1.57 4.81 -1.93 -1.70 114.58 117.77 2pnk h GLU 285 Ca 0.10 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2pnk h GLU 285 Cb 0.36 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 2pnk h GLU 285 CO 0.01 0.14 -0.06 1.25 -0.73 0.00 0.00 179.01 179.62 2pnk h HIS 286 N 0.22 -0.14 -0.34 0.92 2.76 -0.87 -1.87 115.15 115.83 2pnk h HIS 286 Ca 0.10 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 2pnk h HIS 286 Cb 0.04 0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.03 2pnk h HIS 286 CO -0.10 -0.10 -0.00 -0.07 -1.30 0.00 0.00 177.93 176.36 2pnk h LEU 287 N -0.04 -0.14 -0.05 0.26 3.38 -0.97 0.34 115.31 118.09 2pnk h LEU 287 Ca 0.08 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2pnk h LEU 287 Cb 0.16 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2pnk h LEU 287 CO -0.18 -0.03 0.03 -0.07 0.09 0.00 0.00 178.44 178.28 2pnk h LEU 288 N 0.09 0.06 -0.28 1.67 3.38 -1.19 -1.48 115.31 117.56 2pnk h LEU 288 Ca 0.17 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2pnk h LEU 288 Cb 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2pnk h LEU 288 CO -0.28 0.06 -0.04 -0.09 0.09 0.00 0.00 178.44 178.19 2pnk h ARG 289 N 0.05 0.52 -0.00 1.13 2.43 -1.12 -3.30 114.38 114.09 2pnk h ARG 289 Ca 0.02 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2pnk h ARG 289 Cb 0.01 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2pnk h ARG 289 CO -0.00 0.70 -0.31 0.39 -1.51 0.00 0.00 179.97 179.24 2pnk n GLU 290 N -4.55 0.23 -3.21 0.20 -0.58 0.09 -4.16 120.64 108.65 2pnk n GLU 290 Ca -0.03 -0.11 -0.24 0.00 -0.42 0.00 0.00 57.16 56.36 2pnk n GLU 290 Cb 0.28 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.60 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 -1.29 1.56 0.33 -0.32 4.02 -0.56 -4.95 117.16 115.95 2pnk n TYR 291 Ca 0.08 -3.85 0.15 0.00 -0.01 0.00 0.00 57.90 54.27 2pnk n TYR 291 Cb 0.33 -0.44 0.63 0.00 -0.02 0.00 0.00 39.34 39.84 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 3.68 0.00 -0.15 -0.72 0.13 -1.72 -2.07 132.00 131.15 2pnk h PRO 292 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2pnk h PRO 292 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2pnk h PRO 292 CO 0.63 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.49 2pnk n ASN 293 N -2.68 1.89 -4.77 1.44 3.02 -1.26 -4.85 115.26 108.04 2pnk n ASN 293 Ca 0.01 -1.71 -0.34 0.00 -0.03 0.00 0.00 54.58 52.51 2pnk n ASN 293 Cb 0.25 -0.09 -0.08 0.00 -0.61 0.00 0.00 39.78 39.25 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 5.66 -0.09 6.41 -0.87 -0.78 -4.77 114.94 118.83 2pnk s ASN 294 Ca 0.34 0.20 -0.05 0.00 -1.57 0.00 0.00 52.86 51.78 2pnk s ASN 294 Cb 0.19 -1.65 -0.04 0.00 -0.02 0.00 0.00 41.25 39.72 2pnk s ASN 294 CO 0.29 0.33 0.13 -0.54 -2.57 0.00 0.00 177.10 174.73 2pnk s LYS 295 N -1.37 3.36 -0.08 -0.60 1.02 -1.26 -4.83 119.74 115.99 2pnk s LYS 295 Ca 0.19 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 55.97 2pnk s LYS 295 Cb -0.12 -3.10 0.02 0.00 -0.52 0.00 0.00 37.83 34.10 2pnk s LYS 295 CO 0.09 0.75 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.10 2pnk s PHE 296 N -1.07 1.44 -0.20 3.18 0.40 -0.01 -0.78 117.98 120.95 2pnk s PHE 296 Ca 0.17 -0.58 -0.10 0.00 -0.60 0.00 0.00 56.93 55.82 2pnk s PHE 296 Cb -0.12 -1.10 -0.05 0.00 0.51 0.00 0.00 43.02 42.26 2pnk s PHE 296 CO 0.07 -0.34 0.12 -0.51 0.70 0.00 0.00 175.22 175.26 2pnk s LEU 297 N 0.96 4.15 -0.02 -0.37 1.43 -0.09 -4.32 118.68 120.41 2pnk s LEU 297 Ca -0.09 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 2pnk s LEU 297 Cb -0.15 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.01 2pnk s LEU 297 CO 0.00 0.18 -0.06 -0.69 0.23 0.00 0.00 176.35 176.01 2pnk s VAL 298 N 0.36 0.57 0.19 -1.59 1.01 -1.26 -4.13 120.40 115.54 2pnk s VAL 298 Ca 0.07 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2pnk s VAL 298 Cb -0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 2pnk s VAL 298 CO -0.02 0.19 0.12 1.07 0.00 0.00 0.00 175.10 176.47 2pnk n THR 299 N 3.41 0.00 0.00 3.92 5.66 -1.26 -1.92 114.28 124.09 2pnk n THR 299 Ca -0.19 -1.29 0.00 0.00 -3.05 0.00 0.00 64.05 59.52 2pnk n THR 299 Cb 0.54 0.58 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 0.00 -4.74 1.09 7.94 -0.09 -1.45 117.00 119.74 2pnk n LEU 301 Ca 0.02 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.52 2pnk n LEU 301 Cb 0.33 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.23 2pnk n LEU 301 CO 0.17 0.00 0.45 -0.55 -1.11 0.00 0.00 177.39 176.34 2pnk s SER 302 N -0.90 7.16 0.33 1.96 0.15 -1.26 -4.77 113.70 116.38 2pnk s SER 302 Ca 0.00 1.39 0.05 0.00 0.70 0.00 0.00 55.95 58.09 2pnk s SER 302 Cb 0.00 -2.45 0.69 0.00 -1.71 0.00 0.00 66.02 62.55 2pnk s SER 302 CO 0.00 -0.00 1.89 -0.09 1.20 0.00 0.00 173.24 176.23 2pnk h ARG 303 N 5.86 0.81 0.00 5.44 2.43 -1.96 -2.17 114.38 124.79 2pnk h ARG 303 Ca -0.44 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2pnk h ARG 303 Cb 1.20 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2pnk h ARG 303 CO 0.72 0.54 0.00 0.39 -1.51 0.00 0.00 179.97 180.10 2pnk n GLU 304 N -4.54 0.09 0.00 0.20 4.71 -1.26 -2.31 120.64 117.53 2pnk n GLU 304 Ca 0.16 0.24 0.12 0.00 -0.01 0.00 0.00 57.16 57.67 2pnk n GLU 304 Cb 0.35 -1.65 0.21 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 -1.82 0.59 -0.08 1.62 5.03 -0.81 -4.68 115.26 115.10 2pnk n ASN 305 Ca 0.04 -0.38 -0.12 0.00 0.87 0.00 0.00 54.58 54.99 2pnk n ASN 305 Cb 0.26 0.33 -0.05 0.00 -1.02 0.00 0.00 39.78 39.30 2pnk n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2pnk h GLN 306 N 0.08 0.49 0.12 3.52 1.08 -1.54 -1.56 115.11 117.31 2pnk h GLN 306 Ca 0.00 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 56.98 2pnk h GLN 306 Cb 0.50 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2pnk h GLN 306 CO 0.00 0.76 -0.06 1.25 -0.95 0.00 0.00 178.83 179.83 2pnk h HIS 307 N 0.21 -0.16 -0.08 2.96 2.76 -1.83 -2.50 115.15 116.51 2pnk h HIS 307 Ca 0.05 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 2pnk h HIS 307 Cb 0.61 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 2pnk h HIS 307 CO 0.06 0.03 -0.12 1.05 -1.30 0.00 0.00 177.93 177.65 2pnk h GLU 308 N -0.31 0.11 -0.66 5.26 4.11 -1.85 -0.87 114.58 120.37 2pnk h GLU 308 Ca -0.02 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.40 2pnk h GLU 308 Cb 0.25 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2pnk h GLU 308 CO 0.03 0.24 0.43 1.25 0.07 0.00 0.00 179.01 181.03 2pnk h LEU 309 N 0.11 0.73 -0.49 3.06 5.85 -1.14 -0.75 115.31 122.69 2pnk h LEU 309 Ca 0.02 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2pnk h LEU 309 Cb 0.28 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2pnk h LEU 309 CO 0.02 0.52 0.24 0.58 -0.34 0.00 0.00 178.44 179.46 2pnk h VAL 310 N 0.87 1.19 -0.91 1.05 2.07 -0.74 -1.24 116.25 118.54 2pnk h VAL 310 Ca 0.25 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.28 2pnk h VAL 310 Cb -0.07 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 2pnk h VAL 310 CO -0.07 0.21 0.59 0.58 0.02 0.00 0.00 177.57 178.90 2pnk h VAL 311 N 0.65 1.14 -0.79 2.57 2.07 -1.06 -1.96 116.25 118.87 2pnk h VAL 311 Ca 0.17 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2pnk h VAL 311 Cb 0.11 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.75 2pnk h VAL 311 CO -0.02 0.21 0.37 0.25 0.02 0.00 0.00 177.57 178.40 2pnk h LEU 312 N 1.13 1.02 -1.28 2.57 5.85 -0.58 -1.55 115.31 122.48 2pnk h LEU 312 Ca 0.37 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.00 2pnk h LEU 312 Cb 0.03 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 2pnk h LEU 312 CO -0.13 0.86 0.50 0.00 -0.34 0.00 0.00 178.44 179.34 2pnk h ALA 313 N 1.29 1.54 -0.08 1.25 0.00 -0.72 0.59 119.26 123.13 2pnk h ALA 313 Ca 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2pnk h ALA 313 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2pnk h ALA 313 CO -0.03 0.38 -0.09 0.00 0.00 0.00 0.00 179.25 179.50 2pnk h ARG 314 N 0.94 0.12 0.00 0.00 3.08 -0.55 -3.04 114.38 114.92 2pnk h ARG 314 Ca 0.30 -0.02 -0.22 0.00 0.07 0.00 0.00 59.98 60.11 2pnk h ARG 314 Cb 0.04 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2pnk h ARG 314 CO -0.08 0.22 -1.16 0.87 -1.07 0.00 0.00 179.97 178.75 2pnk h LYS 315 N 0.12 0.00 -3.86 0.04 1.79 -0.54 -3.46 116.57 110.66 2pnk h LYS 315 Ca 0.03 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 58.01 2pnk h LYS 315 Cb 0.25 0.00 -0.38 0.00 -1.58 0.00 0.00 32.23 30.52 2pnk h LYS 315 CO 0.01 0.83 -0.78 -0.06 -1.08 0.00 0.00 179.45 178.38 2pnk s PHE 316 N -2.70 1.05 -0.85 -1.35 0.08 -0.71 -5.01 117.98 108.49 2pnk s PHE 316 Ca -0.00 -0.54 0.26 0.00 0.12 0.00 0.00 56.93 56.77 2pnk s PHE 316 Cb 0.09 -1.01 0.99 0.00 -0.57 0.00 0.00 43.02 42.53 2pnk s PHE 316 CO 0.82 -0.46 1.81 -1.13 -0.10 0.00 0.00 175.22 176.16 2pnk n SER 317 N 5.05 0.40 -0.17 1.36 3.41 -1.26 -1.95 113.62 120.45 2pnk n SER 317 Ca -0.09 0.54 0.03 0.00 -0.26 0.00 0.00 58.87 59.10 2pnk n SER 317 Cb 0.49 -0.65 0.14 0.00 -0.26 0.00 0.00 64.21 63.94 2pnk n SER 317 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2pnk n ASN 318 N -1.88 0.49 -3.85 4.04 6.94 -1.26 -5.02 115.26 114.71 2pnk n ASN 318 Ca 0.06 -1.89 -0.15 0.00 -0.02 0.00 0.00 54.58 52.58 2pnk n ASN 318 Cb 0.36 -0.06 0.02 0.00 -2.36 0.00 0.00 39.78 37.74 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 -0.28 0.00 -3.64 -4.53 7.94 -0.82 -0.83 117.00 114.83 2pnk n LEU 319 Ca 0.06 -1.74 -0.14 0.00 -1.11 0.00 0.00 56.01 53.07 2pnk n LEU 319 Cb 0.09 -0.14 -0.07 0.00 0.53 0.00 0.00 43.42 43.84 2pnk n LEU 319 CO 0.04 -0.54 0.20 0.27 -1.11 0.00 0.00 177.39 176.25 2pnk s ILE 321 N -1.56 0.04 -0.15 1.96 -4.36 -1.26 -4.92 121.20 110.95 2pnk s ILE 321 Ca 0.29 -0.33 -0.13 0.00 -0.26 0.00 0.00 60.65 60.21 2pnk s ILE 321 Cb -0.02 -0.88 0.04 0.00 1.25 0.00 0.00 42.46 42.84 2pnk s ILE 321 CO 0.18 -0.18 0.39 0.72 0.24 0.00 0.00 174.94 176.28 2pnk s PHE 322 N -1.95 -0.44 0.00 1.37 -0.71 -0.81 -2.25 117.98 113.20 2pnk s PHE 322 Ca -0.08 1.06 0.00 0.00 -1.04 0.00 0.00 56.93 56.87 2pnk s PHE 322 Cb -0.02 0.16 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 2pnk s PHE 322 CO 0.02 -0.22 0.00 0.41 -1.34 0.00 0.00 175.22 174.09 2pnk n GLY 323 N 3.05 -2.01 3.04 1.99 0.00 -0.15 -4.34 105.19 106.77 2pnk n GLY 323 Ca -0.14 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 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 0.13 3.43 0.00 0.00 -0.00 -1.26 -3.31 118.94 117.93 2pnk s TRP 325 Ca 0.15 1.45 0.00 0.00 -0.00 0.00 0.00 56.10 57.71 2pnk s TRP 325 Cb -0.22 -3.16 0.00 0.00 -0.00 0.00 0.00 33.47 30.09 2pnk s TRP 325 CO -0.03 -0.31 0.00 1.87 -0.00 0.00 0.00 176.95 178.49 2pnk n TRP 326 N 5.46 0.00 -0.26 5.86 -0.00 -1.26 -4.03 117.44 123.21 2pnk n TRP 326 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.56 2pnk n TRP 326 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.76 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 -3.71 5.87 3.72 -1.26 -4.65 117.46 117.43 2pnk n PHE 327 Ca 0.00 -0.44 -0.32 0.00 -0.05 0.00 0.00 57.45 56.64 2pnk n PHE 327 Cb 0.00 -0.57 0.04 0.00 -0.94 0.00 0.00 39.48 38.01 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 2.29 -5.28 -3.87 4.37 5.15 -1.21 -5.04 115.26 111.67 2pnk n ASN 329 Ca 0.07 -1.03 -0.15 0.00 -0.60 0.00 0.00 54.58 52.88 2pnk n ASN 329 Cb 0.25 -3.21 -0.15 0.00 -0.53 0.00 0.00 39.78 36.14 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 -3.45 0.31 0.30 1.20 0.01 -1.26 -5.00 114.94 107.04 2pnk s ASN 330 Ca 0.46 -0.03 -0.00 0.00 -0.71 0.00 0.00 52.86 52.58 2pnk s ASN 330 Cb -0.17 -0.09 0.69 0.00 0.41 0.00 0.00 41.25 42.08 2pnk s ASN 330 CO 0.87 -0.02 1.58 -0.65 -1.51 0.00 0.00 177.10 177.36 2pnk h PRO 331 N 6.54 0.02 -0.99 -0.60 0.11 -1.98 0.24 132.00 135.34 2pnk h PRO 331 Ca -0.33 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.82 2pnk h PRO 331 Cb 1.17 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 2pnk h PRO 331 CO 0.50 0.01 0.64 1.49 -0.21 0.00 0.00 178.00 180.43 2pnk h GLU 332 N 0.02 1.20 0.16 1.05 4.57 -2.00 -1.10 114.58 118.48 2pnk h GLU 332 Ca 0.57 -0.07 -0.27 0.00 -1.18 0.00 0.00 59.36 58.41 2pnk h GLU 332 Cb 1.12 -0.27 0.02 0.00 -0.16 0.00 0.00 28.75 29.46 2pnk h GLU 332 CO -0.91 0.80 -1.25 0.82 -1.18 0.00 0.00 179.01 177.28 2pnk h ILE 333 N 1.24 1.24 -0.87 2.32 2.04 -1.43 -2.98 117.51 119.07 2pnk h ILE 333 Ca 0.40 -2.52 0.14 0.00 1.00 0.00 0.00 64.86 63.87 2pnk h ILE 333 Cb 0.02 2.96 -0.09 0.00 -0.74 0.00 0.00 36.82 38.96 2pnk h ILE 333 CO -0.13 0.75 0.47 0.40 0.00 0.00 0.00 178.15 179.64 2pnk h ILE 334 N -0.19 0.76 0.28 -0.67 2.04 -1.03 -2.69 117.51 116.02 2pnk h ILE 334 Ca -0.24 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2pnk h ILE 334 Cb 1.84 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2pnk h ILE 334 CO 0.15 0.12 -0.14 -1.13 0.00 0.00 0.00 178.15 177.16 2pnk h ASN 335 N 0.68 -0.32 0.00 1.72 -1.24 -1.25 -0.85 115.58 114.32 2pnk h ASN 335 Ca 0.47 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.40 2pnk h ASN 335 Cb 0.62 0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.76 2pnk h ASN 335 CO -0.34 -0.12 0.00 -1.84 -1.29 0.00 0.00 177.43 173.84 2pnk n GLU 336 N -5.20 0.30 0.00 6.67 0.28 -1.02 -1.74 120.64 119.93 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 0.21 -1.25 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 0.60 0.00 0.40 3.84 -1.04 -0.33 -4.61 114.28 113.15 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 0.11 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 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 0.40 -0.36 -2.82 1.74 -0.71 -4.58 116.66 110.32 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 0.33 -0.65 0.00 5.56 1.74 -1.26 -5.03 116.66 117.35 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 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 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 -1.00 0.00 5.56 1.02 -1.26 -3.79 120.64 120.81 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 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 -5.16 117.00 110.73 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 4.31 1.09 -0.72 0.00 -1.25 -1.70 105.19 106.92 2pnk n GLY 346 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 1.05 -1.40 2.61 -2.24 -1.26 -4.74 114.28 108.30 2pnk n THR 347 Ca 0.00 -1.02 -0.24 0.00 -2.27 0.00 0.00 64.05 60.52 2pnk n THR 347 Cb 0.00 0.48 -0.08 0.00 -2.10 0.00 0.00 70.33 68.63 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 1.18 6.24 -4.00 3.42 3.41 -0.69 -4.71 113.62 118.47 2pnk n SER 348 Ca 0.20 -3.07 -0.09 0.00 -0.26 0.00 0.00 58.87 55.65 2pnk n SER 348 Cb 0.56 -1.27 -0.05 0.00 -0.26 0.00 0.00 64.21 63.19 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 -1.18 0.37 -0.40 7.33 -0.71 -1.26 -4.81 117.98 117.31 2pnk s PHE 349 Ca 0.61 -0.73 -0.07 0.00 -1.04 0.00 0.00 56.93 55.70 2pnk s PHE 349 Cb 0.37 0.17 0.08 0.00 -1.21 0.00 0.00 43.02 42.43 2pnk s PHE 349 CO -0.18 -0.98 0.21 0.42 -1.34 0.00 0.00 175.22 173.35 2pnk s ILE 350 N -4.02 3.84 0.37 -4.49 1.01 -0.95 -4.69 121.20 112.28 2pnk s ILE 350 Ca 0.22 -1.55 0.08 0.00 0.00 0.00 0.00 60.65 59.40 2pnk s ILE 350 Cb -0.00 -3.40 0.16 0.00 0.01 0.00 0.00 42.46 39.23 2pnk s ILE 350 CO 0.09 -0.50 1.90 1.55 0.00 0.00 0.00 174.94 177.98 2pnk h PRO 351 N 8.27 0.34 -3.14 2.79 0.13 -1.88 -0.37 132.00 138.14 2pnk h PRO 351 Ca -0.20 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 2pnk h PRO 351 Cb 1.07 -0.05 -0.18 0.00 0.13 0.00 0.00 31.00 31.98 2pnk h PRO 351 CO 0.71 0.43 -0.21 -1.14 -0.23 0.00 0.00 178.00 177.57 2pnk s GLN 352 N -4.82 0.81 0.18 0.86 2.00 -1.26 -3.51 119.66 113.92 2pnk s GLN 352 Ca -0.06 -0.38 -0.04 0.00 -2.00 0.00 0.00 55.36 52.88 2pnk s GLN 352 Cb 0.15 0.36 -0.03 0.00 0.80 0.00 0.00 33.01 34.29 2pnk s GLN 352 CO 0.74 -0.26 0.18 -3.38 -0.50 0.00 0.00 175.29 172.07 2pnk s HIS 353 N -2.22 0.85 -0.17 1.67 -3.43 -1.26 -4.66 115.29 106.06 2pnk s HIS 353 Ca -0.07 -1.15 0.16 0.00 -0.80 0.00 0.00 55.06 53.20 2pnk s HIS 353 Cb -0.02 -0.36 -0.22 0.00 -1.43 0.00 0.00 32.58 30.55 2pnk s HIS 353 CO -0.01 -0.66 0.08 -1.13 -2.00 0.00 0.00 174.74 171.01 2pnk n SER 354 N -0.23 0.57 -2.09 7.38 3.41 -1.24 -4.72 113.62 116.70 2pnk n SER 354 Ca -0.02 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.41 2pnk n SER 354 Cb 0.64 0.98 -0.03 0.00 -0.26 0.00 0.00 64.21 65.54 2pnk n SER 354 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2pnk n ASP 355 N -2.65 -4.96 -4.72 4.04 8.00 -0.42 -4.89 116.55 110.95 2pnk n ASP 355 Ca -0.28 0.20 -0.42 0.00 0.71 0.00 0.00 54.79 54.99 2pnk n ASP 355 Cb 1.06 -4.26 -0.03 0.00 -0.02 0.00 0.00 41.12 37.88 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 -1.00 2.68 -0.03 2.24 0.00 -1.26 -4.37 120.51 118.77 2pnk n ALA 356 Ca -0.20 0.39 0.02 0.00 0.00 0.00 0.00 53.44 53.65 2pnk n ALA 356 Cb 0.63 -2.50 -0.11 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 3.38 0.99 -5.09 0.00 1.74 -1.26 -0.18 116.66 116.23 2pnk n ARG 357 Ca 0.14 -0.08 -0.32 0.00 -0.77 0.00 0.00 57.85 56.81 2pnk n ARG 357 Cb 0.35 -1.35 -0.15 0.00 -1.02 0.00 0.00 32.46 30.28 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 -2.75 2.46 0.22 1.55 1.01 -1.26 -4.37 120.40 117.27 2pnk s VAL 358 Ca -0.06 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 2pnk s VAL 358 Cb 0.07 -1.94 0.23 0.00 0.00 0.00 0.00 36.38 34.73 2pnk s VAL 358 CO 0.60 0.56 1.65 0.25 0.00 0.00 0.00 175.10 178.16 2pnk h LEU 359 N 6.09 -0.36 -2.17 3.92 5.85 -1.47 -1.42 115.31 125.75 2pnk h LEU 359 Ca -0.33 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 2pnk h LEU 359 Cb 1.18 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 2pnk h LEU 359 CO 0.49 -0.15 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.10 2pnk h GLU 360 N 0.09 0.00 -0.22 1.25 3.07 -1.94 -2.77 114.58 114.05 2pnk h GLU 360 Ca 0.34 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 59.27 2pnk h GLU 360 Cb 0.56 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2pnk h GLU 360 CO -0.59 0.02 0.20 1.96 -1.40 0.00 0.00 179.01 179.20 2pnk h GLN 361 N 0.00 0.00 -0.96 2.33 4.20 -1.66 -0.90 115.11 118.12 2pnk h GLN 361 Ca -0.00 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.93 2pnk h GLN 361 Cb 0.27 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.97 2pnk h GLN 361 CO 0.00 0.00 0.62 -0.07 -0.67 0.00 0.00 178.83 178.72 2pnk h LEU 362 N 0.00 0.48 0.90 1.46 3.38 -1.68 0.74 115.31 120.59 2pnk h LEU 362 Ca 0.11 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2pnk h LEU 362 Cb 0.50 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.24 2pnk h LEU 362 CO -0.00 0.16 -0.43 0.40 0.09 0.00 0.00 178.44 178.66 2pnk h ILE 363 N 0.46 0.10 -0.13 1.22 2.04 -1.40 -2.49 117.51 117.31 2pnk h ILE 363 Ca 0.52 -0.03 -0.22 0.00 1.00 0.00 0.00 64.86 66.13 2pnk h ILE 363 Cb 1.23 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2pnk h ILE 363 CO -0.24 0.00 -0.78 0.10 0.00 0.00 0.00 178.15 177.24 2pnk h TYR 364 N -1.24 1.03 -0.59 1.37 -0.00 -1.54 -1.09 116.97 114.92 2pnk h TYR 364 Ca -0.12 -0.47 0.03 0.00 0.00 0.00 0.00 58.73 58.17 2pnk h TYR 364 Cb 0.93 -0.15 -0.04 0.00 0.00 0.00 0.00 36.73 37.46 2pnk h TYR 364 CO -0.01 1.30 0.35 0.87 -0.00 0.00 0.00 178.16 180.67 2pnk h LYS 365 N 0.47 0.66 0.20 0.10 1.79 -0.96 0.12 116.57 118.95 2pnk h LYS 365 Ca -0.06 -0.04 -0.31 0.00 -2.18 0.00 0.00 60.65 58.06 2pnk h LYS 365 Cb 1.41 -0.15 0.02 0.00 -1.58 0.00 0.00 32.23 31.94 2pnk h LYS 365 CO 0.16 0.44 -1.38 -1.49 -1.08 0.00 0.00 179.45 176.09 2pnk h TRP 366 N 0.68 0.75 -0.40 -1.35 4.06 -1.41 -2.72 115.95 115.56 2pnk h TRP 366 Ca 0.25 -0.55 -0.04 0.00 2.06 0.00 0.00 58.89 60.61 2pnk h TRP 366 Cb 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.17 2pnk h TRP 366 CO -0.06 1.44 0.10 0.45 -3.56 0.00 0.00 178.44 176.81 2pnk h HIS 367 N 0.11 0.67 -0.45 0.49 3.86 -1.08 0.28 115.15 119.04 2pnk h HIS 367 Ca -0.20 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 58.90 2pnk h HIS 367 Cb 2.08 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 30.34 2pnk h HIS 367 CO 0.10 0.64 0.16 0.45 0.86 0.00 0.00 177.93 180.13 2pnk h HIS 368 N 0.51 0.71 -0.12 2.45 3.86 -0.85 -2.66 115.15 119.05 2pnk h HIS 368 Ca 0.13 -0.06 -0.22 0.00 -1.16 0.00 0.00 60.37 59.06 2pnk h HIS 368 Cb 0.30 -0.21 0.01 0.00 1.06 0.00 0.00 27.41 28.58 2pnk h HIS 368 CO 0.02 0.62 -0.77 0.77 0.86 0.00 0.00 177.93 179.43 2pnk h SER 369 N 0.58 0.88 -0.79 2.45 0.02 -1.37 -3.12 113.55 112.21 2pnk h SER 369 Ca 0.15 -0.65 0.05 0.00 -0.84 0.00 0.00 61.79 60.49 2pnk h SER 369 Cb 0.24 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 2pnk h SER 369 CO -0.01 1.40 0.49 0.11 -1.14 0.00 0.00 176.83 177.68 2pnk h LYS 370 N 0.43 0.89 -0.82 3.45 1.57 -0.44 0.06 116.57 121.72 2pnk h LYS 370 Ca -0.06 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.75 2pnk h LYS 370 Cb 1.41 -0.20 -0.07 0.00 0.08 0.00 0.00 32.23 33.45 2pnk h LYS 370 CO 0.16 0.59 0.48 0.77 -0.57 0.00 0.00 179.45 180.87 2pnk h SER 371 N 0.92 0.70 -0.09 0.86 0.02 -1.47 0.20 113.55 114.69 2pnk h SER 371 Ca 0.33 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.21 2pnk h SER 371 Cb 0.09 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2pnk h SER 371 CO -0.14 0.41 -0.38 0.40 -1.14 0.00 0.00 176.83 175.98 2pnk h ILE 372 N 0.82 1.39 -0.53 3.27 2.04 -1.35 -2.82 117.51 120.33 2pnk h ILE 372 Ca 0.38 -1.74 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 2pnk h ILE 372 Cb 0.31 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 2pnk h ILE 372 CO -0.23 0.51 0.12 0.40 0.00 0.00 0.00 178.15 178.95 2pnk h ILE 373 N -0.02 1.23 -0.57 -0.67 2.04 -0.75 -1.95 117.51 116.81 2pnk h ILE 373 Ca -0.02 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 2pnk h ILE 373 Cb 1.02 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 2pnk h ILE 373 CO 0.08 0.31 0.16 0.00 0.00 0.00 0.00 178.15 178.69 2pnk h ALA 374 N 1.34 0.74 -0.40 1.87 0.00 -0.59 -0.85 119.26 121.38 2pnk h ALA 374 Ca 0.17 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2pnk h ALA 374 Cb 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2pnk h ALA 374 CO -0.00 0.43 -0.04 1.49 0.00 0.00 0.00 179.25 181.13 2pnk h GLU 375 N 0.80 0.65 -0.10 0.00 4.57 -1.17 -0.21 114.58 119.13 2pnk h GLU 375 Ca 0.18 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2pnk h GLU 375 Cb 0.32 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2pnk h GLU 375 CO -0.00 0.70 0.01 0.28 -1.18 0.00 0.00 179.01 178.81 2pnk h VAL 376 N 0.61 1.24 -0.36 0.32 2.07 -0.97 -2.31 116.25 116.85 2pnk h VAL 376 Ca 0.12 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 66.95 2pnk h VAL 376 Cb 0.44 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 2pnk h VAL 376 CO 0.02 0.21 0.03 -0.07 0.02 0.00 0.00 177.57 177.78 2pnk h LEU 377 N -0.09 -0.08 -0.75 2.57 3.38 -0.86 -1.65 115.31 117.82 2pnk h LEU 377 Ca 0.03 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.19 2pnk h LEU 377 Cb 0.33 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2pnk h LEU 377 CO 0.00 -0.01 0.36 0.40 0.09 0.00 0.00 178.44 179.28 2pnk h ILE 378 N 0.14 0.76 -0.25 1.22 2.04 -0.96 0.39 117.51 120.86 2pnk h ILE 378 Ca 0.18 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2pnk h ILE 378 Cb 0.23 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2pnk h ILE 378 CO -0.27 0.10 0.12 0.44 0.00 0.00 0.00 178.15 178.54 2pnk h ASP 379 N 0.56 0.33 -0.13 1.72 3.32 -0.82 -0.33 116.42 121.07 2pnk h ASP 379 Ca 0.39 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 2pnk h ASP 379 Cb 0.51 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2pnk h ASP 379 CO -0.33 0.37 -0.42 0.11 -1.72 0.00 0.00 179.24 177.25 2pnk h LYS 380 N 0.27 0.51 -0.58 3.56 6.56 -0.88 -0.58 116.57 125.43 2pnk h LYS 380 Ca 0.09 -0.38 0.03 0.00 -1.06 0.00 0.00 60.65 59.33 2pnk h LYS 380 Cb 0.13 0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 31.81 2pnk h LYS 380 CO -0.01 1.00 0.34 1.88 -2.06 0.00 0.00 179.45 180.60 2pnk h TYR 381 N 0.11 0.63 -0.81 -1.35 0.05 -0.99 -2.80 116.97 111.81 2pnk h TYR 381 Ca -0.02 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 2pnk h TYR 381 Cb 1.04 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.55 2pnk h TYR 381 CO 0.11 0.34 0.40 0.22 -1.05 0.00 0.00 178.16 178.18 2pnk h ASP 382 N 0.66 1.04 -0.99 3.88 3.58 -0.92 0.95 116.42 124.62 2pnk h ASP 382 Ca 0.24 -0.13 0.03 0.00 0.42 0.00 0.00 57.03 57.60 2pnk h ASP 382 Cb 0.06 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 40.79 2pnk h ASP 382 CO -0.12 0.87 0.65 0.44 -2.88 0.00 0.00 179.24 178.20 2pnk h ASP 383 N 1.14 1.09 0.66 2.28 3.32 -0.94 0.13 116.42 124.09 2pnk h ASP 383 Ca 0.28 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 57.06 2pnk h ASP 383 Cb 0.10 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 2pnk h ASP 383 CO -0.04 0.75 -1.15 0.16 -1.72 0.00 0.00 179.24 177.25 2pnk h ILE 384 N 1.26 1.53 -0.40 0.35 3.07 -1.21 -2.87 117.51 119.24 2pnk h ILE 384 Ca 0.39 -3.03 0.07 0.00 1.55 0.00 0.00 64.86 63.84 2pnk h ILE 384 Cb -0.02 2.84 -0.06 0.00 -0.27 0.00 0.00 36.82 39.31 2pnk h ILE 384 CO -0.11 0.88 0.01 0.25 -1.05 0.00 0.00 178.15 178.13 2pnk h LEU 385 N 0.08 -0.13 -1.39 0.16 5.85 -0.55 -1.13 115.31 118.20 2pnk h LEU 385 Ca -0.10 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 2pnk h LEU 385 Cb 1.87 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 43.04 2pnk h LEU 385 CO 0.18 -0.03 -0.25 1.56 -0.34 0.00 0.00 178.44 179.56 2pnk h GLN 386 N 0.12 0.00 0.00 1.25 1.08 -1.00 -1.47 115.11 115.09 2pnk h GLN 386 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2pnk h GLN 386 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2pnk h GLN 386 CO -0.31 0.25 0.00 0.00 -0.95 0.00 0.00 178.83 177.82 2pnk n ALA 387 N -2.31 2.61 0.00 3.87 0.00 -0.81 -4.90 120.51 118.98 2pnk n ALA 387 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2pnk n ALA 387 Cb 0.37 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2pnk n ALA 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnk n GLY 388 N 0.84 0.59 3.74 0.00 0.00 -0.55 -5.07 105.19 104.74 2pnk n GLY 388 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 3.66 -0.41 1.61 -0.11 -0.49 -4.99 118.94 116.21 2pnk s TRP 389 Ca 0.00 1.67 -0.21 0.00 1.22 0.00 0.00 56.10 58.79 2pnk s TRP 389 Cb 0.00 -3.22 0.02 0.00 -1.50 0.00 0.00 33.47 28.76 2pnk s TRP 389 CO 0.00 -0.39 0.65 -2.00 -4.62 0.00 0.00 176.95 170.58 2pnk s GLU 390 N -0.63 3.44 -0.13 5.86 2.12 -1.26 -4.09 118.70 124.00 2pnk s GLU 390 Ca 0.47 -0.20 -0.19 0.00 0.36 0.00 0.00 54.97 55.41 2pnk s GLU 390 Cb -0.29 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.17 2pnk s GLU 390 CO 0.35 -0.91 0.53 0.08 -0.54 0.00 0.00 175.26 174.77 2pnk s VAL 391 N 2.80 5.14 0.13 3.70 1.01 -1.26 -5.08 120.40 126.83 2pnk s VAL 391 Ca 0.24 1.05 0.03 0.00 0.00 0.00 0.00 61.98 63.30 2pnk s VAL 391 Cb -0.14 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2pnk s VAL 391 CO 0.18 0.26 0.17 0.42 0.00 0.00 0.00 175.10 176.13 2pnk s THR 392 N 0.98 4.84 0.31 3.92 -4.23 -1.26 -4.26 115.64 115.93 2pnk s THR 392 Ca 0.27 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 59.99 2pnk s THR 392 Cb -0.16 -3.43 0.29 0.00 1.34 0.00 0.00 72.50 70.54 2pnk s THR 392 CO 0.11 -0.03 1.89 -0.08 -0.54 0.00 0.00 174.62 175.97 2pnk h GLU 393 N 2.59 0.90 -0.13 3.99 4.81 -1.99 -1.04 114.58 123.72 2pnk h GLU 393 Ca -0.47 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.60 2pnk h GLU 393 Cb 1.19 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2pnk h GLU 393 CO 0.67 0.60 -0.38 0.93 -0.73 0.00 0.00 179.01 180.09 2pnk h GLU 394 N 0.93 0.28 -0.32 1.92 4.39 -1.99 -0.62 114.58 119.16 2pnk h GLU 394 Ca 0.42 -0.13 -0.15 0.00 0.34 0.00 0.00 59.36 59.85 2pnk h GLU 394 Cb 0.39 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2pnk h GLU 394 CO -0.18 0.63 -0.40 0.93 -1.16 0.00 0.00 179.01 178.82 2pnk h GLU 395 N 0.24 0.79 -0.55 2.33 5.08 -1.70 -0.63 114.58 120.13 2pnk h GLU 395 Ca 0.02 -0.41 0.02 0.00 -1.00 0.00 0.00 59.36 57.99 2pnk h GLU 395 Cb 0.79 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2pnk h GLU 395 CO 0.06 1.04 0.34 0.82 -1.00 0.00 0.00 179.01 180.28 2pnk h ILE 396 N 0.64 1.09 -0.47 3.13 2.04 -0.76 -0.82 117.51 122.37 2pnk h ILE 396 Ca 0.05 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2pnk h ILE 396 Cb 0.96 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2pnk h ILE 396 CO 0.09 0.13 0.24 0.11 0.00 0.00 0.00 178.15 178.72 2pnk h LYS 397 N 0.69 0.66 0.12 2.37 1.57 -0.88 -0.45 116.57 120.65 2pnk h LYS 397 Ca 0.21 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2pnk h LYS 397 Cb -0.02 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 2pnk h LYS 397 CO -0.08 0.54 -0.30 -0.09 -0.57 0.00 0.00 179.45 178.95 2pnk h ARG 398 N 0.61 -0.50 -0.41 3.15 2.43 -0.92 -0.06 114.38 118.67 2pnk h ARG 398 Ca 0.16 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2pnk h ARG 398 Cb 0.08 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2pnk h ARG 398 CO -0.02 -0.33 0.27 -0.44 -1.51 0.00 0.00 179.97 177.93 2pnk h ASP 399 N -0.52 0.48 -0.94 -3.80 3.32 -0.91 -0.23 116.42 113.83 2pnk h ASP 399 Ca 0.03 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2pnk h ASP 399 Cb 0.55 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 2pnk h ASP 399 CO -0.17 0.35 0.62 0.58 -1.72 0.00 0.00 179.24 178.90 2pnk h VAL 400 N 0.56 1.24 -0.74 -1.35 2.07 -0.99 -0.85 116.25 116.19 2pnk h VAL 400 Ca 0.15 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2pnk h VAL 400 Cb -0.06 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.54 2pnk h VAL 400 CO -0.03 0.23 0.22 0.00 0.02 0.00 0.00 177.57 178.01 2pnk h ALA 401 N 1.42 1.00 -0.14 1.67 0.00 -0.20 -1.81 119.26 121.20 2pnk h ALA 401 Ca 0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pnk h ALA 401 Cb -0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 2pnk h ALA 401 CO -0.07 0.66 0.08 -0.44 0.00 0.00 0.00 179.25 179.48 2pnk h ASP 402 N 1.10 0.17 -0.56 0.00 3.32 -0.22 0.85 116.42 121.07 2pnk h ASP 402 Ca 0.24 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2pnk h ASP 402 Cb 0.31 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2pnk h ASP 402 CO -0.01 0.20 0.15 -0.07 -1.72 0.00 0.00 179.24 177.79 2pnk h LEU 403 N 0.13 0.84 0.00 1.55 3.38 -1.01 -0.46 115.31 119.74 2pnk h LEU 403 Ca 0.05 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2pnk h LEU 403 Cb 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2pnk h LEU 403 CO -0.01 0.85 -0.89 0.49 0.09 0.00 0.00 178.44 178.97 2pnk n PHE 404 N -4.41 0.05 0.07 1.13 3.72 -0.70 -4.14 117.46 113.19 2pnk n PHE 404 Ca 0.03 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2pnk n PHE 404 Cb 0.22 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 -1.61 -0.91 0.07 4.37 2.88 -0.35 -1.67 113.62 116.40 2pnk n SER 405 Ca 0.04 0.27 -0.04 0.00 -1.33 0.00 0.00 58.87 57.80 2pnk n SER 405 Cb 0.36 1.06 0.16 0.00 -0.75 0.00 0.00 64.21 65.04 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 0.31 -0.57 -1.46 3.08 -0.88 -3.00 114.38 111.87 2pnk h ARG 406 Ca 0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2pnk h ARG 406 Cb 0.00 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2pnk h ARG 406 CO 0.00 0.73 0.37 -0.91 -1.07 0.00 0.00 179.97 179.09 2pnk h ASN 407 N 0.25 0.66 0.56 7.04 2.35 -1.29 0.57 115.58 125.71 2pnk h ASN 407 Ca 0.01 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2pnk h ASN 407 Cb 0.96 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 2pnk h ASN 407 CO 0.08 0.49 -0.43 0.15 -1.65 0.00 0.00 177.43 176.08 2pnk h PHE 408 N 0.77 -1.15 -0.82 1.19 3.57 -1.77 -1.06 116.94 117.67 2pnk h PHE 408 Ca 0.21 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2pnk h PHE 408 Cb -0.07 0.43 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2pnk h PHE 408 CO -0.03 -0.61 0.54 -1.49 -2.23 0.00 0.00 178.31 174.49 2pnk h TRP 409 N -0.96 0.99 -0.54 0.41 4.06 -1.37 -0.58 115.95 117.96 2pnk h TRP 409 Ca -0.06 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.87 2pnk h TRP 409 Cb 0.81 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.61 2pnk h TRP 409 CO -0.17 0.60 0.18 -0.09 -3.56 0.00 0.00 178.44 175.40 2pnk h ARG 410 N 1.05 0.84 -0.25 0.49 2.43 -0.81 -1.47 114.38 116.65 2pnk h ARG 410 Ca 0.32 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2pnk h ARG 410 Cb -0.02 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2pnk h ARG 410 CO -0.08 0.77 0.01 0.35 -1.51 0.00 0.00 179.97 179.50 2pnk h PHE 411 N 0.75 0.48 0.00 2.20 3.57 -0.19 -3.00 116.94 120.74 2pnk h PHE 411 Ca 0.18 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2pnk h PHE 411 Cb 0.27 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2pnk h PHE 411 CO 0.02 0.59 0.00 -0.39 -2.23 0.00 0.00 178.31 176.29 2pnk h VAL 412 N 0.23 0.00 -4.44 1.41 -1.51 -1.13 -3.47 116.25 107.33 2pnk h VAL 412 Ca 0.07 -0.55 -0.26 0.00 -1.23 0.00 0.00 66.70 64.74 2pnk h VAL 412 Cb 0.39 1.48 0.10 0.00 -2.13 0.00 0.00 31.29 31.13 2pnk h VAL 412 CO 0.01 0.00 -0.50 0.61 -1.23 0.00 0.00 177.57 176.46 2pnk n GLY 413 N 0.54 -0.10 0.00 5.19 0.00 -0.56 -4.82 105.19 105.43 2pnk n GLY 413 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2pnk n GLY 413 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36