#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 4.16 0.27 -1.33 1.01 -1.26 -4.90 121.20 119.15 2pnk s ILE 3 Ca 0.00 0.46 0.10 0.00 0.00 0.00 0.00 60.65 61.21 2pnk s ILE 3 Cb 0.00 -4.67 -0.02 0.00 0.01 0.00 0.00 42.46 37.78 2pnk s ILE 3 CO 0.00 -1.32 1.62 -0.55 0.00 0.00 0.00 174.94 174.68 2pnk h ASN 4 N 9.51 0.04 -5.12 3.58 -1.07 -1.99 -3.47 115.58 117.05 2pnk h ASN 4 Ca -0.26 -0.02 -0.09 0.00 0.07 0.00 0.00 56.30 55.99 2pnk h ASN 4 Cb 1.06 -0.01 -0.15 0.00 -2.07 0.00 0.00 38.32 37.15 2pnk h ASN 4 CO 1.16 0.63 -0.37 -0.94 0.07 0.00 0.00 177.43 177.98 2pnk s SER 5 N -6.86 0.07 0.36 6.14 1.04 -1.26 -5.03 113.70 108.16 2pnk s SER 5 Ca -0.02 -0.53 0.04 0.00 0.48 0.00 0.00 55.95 55.93 2pnk s SER 5 Cb 0.13 0.32 0.67 0.00 0.10 0.00 0.00 66.02 67.24 2pnk s SER 5 CO 0.77 -0.66 1.94 -0.09 0.98 0.00 0.00 173.24 176.17 2pnk h ARG 6 N 3.02 0.59 -0.42 4.02 2.43 -1.99 -1.62 114.38 120.41 2pnk h ARG 6 Ca -0.33 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 58.69 2pnk h ARG 6 Cb 1.20 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 2pnk h ARG 6 CO 0.53 0.51 0.04 0.93 -1.51 0.00 0.00 179.97 180.46 2pnk h GLU 7 N 0.58 0.71 -0.25 0.20 3.07 -1.99 0.15 114.58 117.05 2pnk h GLU 7 Ca 0.14 -0.21 -0.05 0.00 -0.50 0.00 0.00 59.36 58.74 2pnk h GLU 7 Cb 0.16 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 2pnk h GLU 7 CO -0.01 0.77 -0.04 0.28 -1.40 0.00 0.00 179.01 178.61 2pnk h VAL 8 N 0.56 1.28 -0.51 3.13 2.07 -1.91 -2.87 116.25 117.99 2pnk h VAL 8 Ca 0.12 -1.02 0.10 0.00 0.82 0.00 0.00 66.70 66.73 2pnk h VAL 8 Cb 0.43 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.55 2pnk h VAL 8 CO 0.01 0.32 -0.09 0.25 0.02 0.00 0.00 177.57 178.08 2pnk h LEU 9 N 0.21 -0.40 -0.77 2.57 5.85 -1.12 -2.23 115.31 119.43 2pnk h LEU 9 Ca 0.06 0.15 0.10 0.00 0.84 0.00 0.00 57.88 59.03 2pnk h LEU 9 Cb 0.49 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 2pnk h LEU 9 CO 0.02 -0.14 0.41 0.00 -0.34 0.00 0.00 178.44 178.39 2pnk h ALA 10 N 1.50 1.08 -0.31 1.25 0.00 -0.50 -0.38 119.26 121.91 2pnk h ALA 10 Ca 0.25 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 2pnk h ALA 10 Cb 0.39 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2pnk h ALA 10 CO -0.50 0.01 -0.49 0.93 0.00 0.00 0.00 179.25 179.20 2pnk h GLU 11 N 0.68 0.84 -0.68 0.00 4.39 -1.23 -0.71 114.58 117.88 2pnk h GLU 11 Ca 0.38 -0.50 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 2pnk h GLU 11 Cb 0.39 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 2pnk h GLU 11 CO -0.27 1.14 0.34 0.87 -1.16 0.00 0.00 179.01 179.93 2pnk h LYS 12 N 0.66 0.96 -0.16 2.33 1.57 -0.88 -1.27 116.57 119.79 2pnk h LYS 12 Ca 0.03 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 2pnk h LYS 12 Cb 1.08 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2pnk h LYS 12 CO 0.11 0.75 -0.35 0.28 -0.57 0.00 0.00 179.45 179.67 2pnk h VAL 13 N 0.93 1.35 -0.99 0.50 2.07 -1.01 -1.23 116.25 117.87 2pnk h VAL 13 Ca 0.23 -1.61 0.03 0.00 0.82 0.00 0.00 66.70 66.17 2pnk h VAL 13 Cb 0.10 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 2pnk h VAL 13 CO -0.03 0.49 0.65 0.11 0.02 0.00 0.00 177.57 178.81 2pnk h LYS 14 N 0.15 1.25 -0.34 1.57 1.57 -1.06 0.41 116.57 120.12 2pnk h LYS 14 Ca 0.00 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 2pnk h LYS 14 Cb 0.96 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2pnk h LYS 14 CO 0.08 0.83 -0.31 -0.97 -0.57 0.00 0.00 179.45 178.51 2pnk h ASN 15 N 1.29 0.86 -0.22 0.86 -1.24 -1.16 -0.90 115.58 115.07 2pnk h ASN 15 Ca 0.38 -0.46 -0.04 0.00 0.71 0.00 0.00 56.30 56.90 2pnk h ASN 15 Cb -0.06 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.74 2pnk h ASN 15 CO -0.11 1.14 -0.01 0.00 -1.29 0.00 0.00 177.43 177.17 2pnk h ALA 16 N 0.75 0.30 -0.47 1.57 0.00 -0.85 -0.97 119.26 119.59 2pnk h ALA 16 Ca 0.06 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2pnk h ALA 16 Cb 0.88 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2pnk h ALA 16 CO 0.08 0.03 0.28 0.28 0.00 0.00 0.00 179.25 179.92 2pnk h VAL 17 N 0.15 1.05 -0.75 0.00 2.07 -0.89 -1.58 116.25 116.31 2pnk h VAL 17 Ca 0.06 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2pnk h VAL 17 Cb 0.42 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2pnk h VAL 17 CO 0.01 0.10 0.28 -1.13 0.02 0.00 0.00 177.57 176.86 2pnk h ASN 18 N 0.56 1.05 1.12 0.57 -0.73 -1.05 -3.13 115.58 113.97 2pnk h ASN 18 Ca 0.19 -0.18 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 2pnk h ASN 18 Cb 0.01 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.31 2pnk h ASN 18 CO -0.08 0.95 -0.48 0.78 -0.37 0.00 0.00 177.43 178.23 2pnk h ASN 19 N 1.09 0.00 -2.68 1.15 2.35 -0.84 -3.45 115.58 113.21 2pnk h ASN 19 Ca 0.25 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.44 2pnk h ASN 19 Cb 0.24 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2pnk h ASN 19 CO -0.02 0.48 1.10 -1.58 -1.65 0.00 0.00 177.43 175.76 2pnk s GLN 20 N -3.27 4.01 0.28 0.81 2.00 -0.62 -4.98 119.66 117.89 2pnk s GLN 20 Ca 0.02 1.95 -0.30 0.00 -2.00 0.00 0.00 55.36 55.02 2pnk s GLN 20 Cb 0.09 -4.00 -0.11 0.00 0.80 0.00 0.00 33.01 29.79 2pnk s GLN 20 CO 0.72 -1.04 1.62 -2.14 -0.50 0.00 0.00 175.29 173.95 2pnk s PRO 21 N 4.29 4.11 -0.11 1.67 0.02 -1.26 -4.96 135.00 138.77 2pnk s PRO 21 Ca 0.72 2.60 -0.12 0.00 0.02 0.00 0.00 61.00 64.21 2pnk s PRO 21 Cb -0.29 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.16 2pnk s PRO 21 CO 0.28 -0.66 0.29 0.08 -0.33 0.00 0.00 177.00 176.66 2pnk s VAL 22 N 0.14 5.28 -0.25 3.83 1.01 0.05 -4.66 120.40 125.81 2pnk s VAL 22 Ca 0.65 0.54 -0.17 0.00 0.00 0.00 0.00 61.98 63.00 2pnk s VAL 22 Cb -0.48 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2pnk s VAL 22 CO 0.46 0.50 0.49 -0.89 0.00 0.00 0.00 175.10 175.66 2pnk s THR 23 N -0.32 5.09 0.40 3.92 2.01 -0.63 -1.02 115.64 125.09 2pnk s THR 23 Ca 0.18 0.84 0.06 0.00 0.31 0.00 0.00 61.69 63.08 2pnk s THR 23 Cb -0.14 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2pnk s THR 23 CO 0.06 0.11 0.56 -0.62 -0.69 0.00 0.00 174.62 174.04 2pnk s ASP 24 N 1.49 5.80 -0.49 3.53 -1.08 -0.09 -4.73 116.67 121.09 2pnk s ASP 24 Ca 0.21 -0.16 -0.45 0.00 -0.52 0.00 0.00 52.55 51.62 2pnk s ASP 24 Cb -0.16 -1.09 -0.19 0.00 -1.46 0.00 0.00 42.92 40.02 2pnk s ASP 24 CO 0.09 -0.63 1.79 1.57 0.52 0.00 0.00 175.17 178.51 2pnk n HIS 26 N -1.83 1.51 -4.19 -5.34 -0.00 -1.26 -0.37 115.22 103.75 2pnk n HIS 26 Ca 0.03 0.99 -0.12 0.00 -0.00 0.00 0.00 57.72 58.63 2pnk n HIS 26 Cb 0.58 -2.23 -0.10 0.00 -0.00 0.00 0.00 29.99 28.25 2pnk n HIS 26 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2pnk s THR 27 N 4.12 0.02 -0.40 3.57 -4.23 -0.48 -1.86 115.64 116.37 2pnk s THR 27 Ca 1.10 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 59.68 2pnk s THR 27 Cb -1.48 -2.43 0.46 0.00 1.34 0.00 0.00 72.50 70.39 2pnk s THR 27 CO 0.75 -0.07 1.46 1.41 -0.54 0.00 0.00 174.62 177.63 2pnk n HIS 28 N -0.25 2.79 -3.70 3.99 8.25 0.90 -1.95 115.22 125.26 2pnk n HIS 28 Ca 0.01 -2.43 -0.20 0.00 -0.26 0.00 0.00 57.72 54.84 2pnk n HIS 28 Cb 0.66 -0.68 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 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 -3.65 3.73 0.03 2.41 1.43 -1.21 -4.57 118.68 116.84 2pnk s LEU 29 Ca 0.55 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2pnk s LEU 29 Cb 0.44 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 2pnk s LEU 29 CO 0.02 -0.38 -0.07 -0.36 0.23 0.00 0.00 176.35 175.79 2pnk s PHE 30 N -2.26 0.64 0.25 0.29 0.08 -1.26 -4.42 117.98 111.29 2pnk s PHE 30 Ca 0.42 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.78 2pnk s PHE 30 Cb -0.07 -0.39 -0.14 0.00 -0.57 0.00 0.00 43.02 41.85 2pnk s PHE 30 CO 0.28 -0.06 1.22 0.45 -0.10 0.00 0.00 175.22 177.02 2pnk n SER 31 N 1.87 2.01 0.26 1.36 2.88 -1.26 -4.80 113.62 115.93 2pnk n SER 31 Ca -0.20 1.16 0.09 0.00 -1.33 0.00 0.00 58.87 58.59 2pnk n SER 31 Cb 0.56 -1.34 0.65 0.00 -0.75 0.00 0.00 64.21 63.32 2pnk n SER 31 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2pnk h PRO 32 N 3.20 0.00 0.00 -1.46 0.13 -1.93 -1.45 132.00 130.49 2pnk h PRO 32 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2pnk h PRO 32 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2pnk h PRO 32 CO 0.69 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.73 2pnk n ASN 33 N -4.51 0.00 -0.02 1.44 6.94 -1.26 -1.42 115.26 116.43 2pnk n ASN 33 Ca -0.03 0.28 0.14 0.00 -0.02 0.00 0.00 54.58 54.95 2pnk n ASN 33 Cb 0.10 -0.36 0.61 0.00 -2.36 0.00 0.00 39.78 37.77 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 -1.36 0.00 -1.90 -2.53 3.01 -0.54 -5.04 117.46 109.10 2pnk n PHE 34 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2pnk n PHE 34 Cb 0.08 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.20 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 0.10 0.00 1.37 0.00 -0.50 -4.43 105.19 103.13 2pnk n GLY 35 Ca 0.10 -1.43 0.06 0.00 0.00 0.00 0.00 46.02 44.76 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 1.86 0.09 0.01 1.61 -0.58 -1.26 -1.81 120.64 120.56 2pnk n GLU 36 Ca 0.00 0.23 0.10 0.00 -0.42 0.00 0.00 57.16 57.06 2pnk n GLU 36 Cb 0.00 -1.50 0.42 0.00 -0.57 0.00 0.00 31.44 29.79 2pnk n GLU 36 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2pnk n ILE 37 N -1.39 0.67 -2.48 -3.67 -5.35 -1.26 -4.34 119.36 101.53 2pnk n ILE 37 Ca 0.04 0.16 -0.43 0.00 -0.27 0.00 0.00 62.75 62.25 2pnk n ILE 37 Cb 0.12 -0.84 -0.02 0.00 -1.74 0.00 0.00 39.64 37.16 2pnk n ILE 37 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2pnk s LEU 38 N -3.11 3.57 0.07 7.28 2.96 -0.75 -4.76 118.68 123.94 2pnk s LEU 38 Ca 0.09 0.55 -0.24 0.00 -0.22 0.00 0.00 54.13 54.31 2pnk s LEU 38 Cb 0.13 -3.46 -0.06 0.00 0.50 0.00 0.00 46.19 43.30 2pnk s LEU 38 CO 0.36 -1.40 0.72 -0.76 -1.32 0.00 0.00 176.35 173.96 2pnk s LEU 39 N 5.07 4.49 0.10 -0.68 1.43 -1.26 -5.01 118.68 122.82 2pnk s LEU 39 Ca 0.53 1.44 -0.20 0.00 -1.03 0.00 0.00 54.13 54.87 2pnk s LEU 39 Cb -0.10 -3.17 0.05 0.00 0.03 0.00 0.00 46.19 43.00 2pnk s LEU 39 CO 0.31 0.10 0.48 -1.66 0.23 0.00 0.00 176.35 175.81 2pnk s TRP 40 N -0.44 -0.35 0.00 0.29 1.48 -1.26 -0.55 118.94 118.11 2pnk s TRP 40 Ca 0.36 0.20 0.00 0.00 -1.06 0.00 0.00 56.10 55.60 2pnk s TRP 40 Cb -0.21 0.35 0.00 0.00 -1.16 0.00 0.00 33.47 32.45 2pnk s TRP 40 CO 0.23 -0.71 0.00 -0.40 -4.06 0.00 0.00 176.95 172.01 2pnk n ASP 41 N 0.00 0.00 0.08 -2.66 5.68 -1.26 -4.60 116.55 113.79 2pnk n ASP 41 Ca -0.17 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.08 2pnk n ASP 41 Cb 0.63 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.79 2pnk n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2pnk h ILE 42 N 0.00 1.33 -0.16 2.12 6.09 -1.96 -1.71 117.51 123.21 2pnk h ILE 42 Ca 0.00 -1.66 -0.09 0.00 -1.37 0.00 0.00 64.86 61.74 2pnk h ILE 42 Cb 0.00 1.76 -0.01 0.00 0.47 0.00 0.00 36.82 39.04 2pnk h ILE 42 CO 0.00 0.50 -0.31 0.44 -3.07 0.00 0.00 178.15 175.71 2pnk h ASP 43 N 0.23 0.33 -0.28 2.19 3.32 -1.95 -1.28 116.42 118.97 2pnk h ASP 43 Ca 0.01 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.76 2pnk h ASP 43 Cb 0.91 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.37 2pnk h ASP 43 CO 0.07 0.62 -0.56 -0.33 -1.72 0.00 0.00 179.24 177.33 2pnk h GLU 44 N 0.28 0.88 -0.51 3.56 4.39 -1.71 -2.28 114.58 119.18 2pnk h GLU 44 Ca 0.04 -0.57 0.01 0.00 0.34 0.00 0.00 59.36 59.18 2pnk h GLU 44 Cb 0.69 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 2pnk h GLU 44 CO 0.05 1.20 0.33 -0.07 -1.16 0.00 0.00 179.01 179.36 2pnk h LEU 45 N 0.67 0.55 -1.04 1.33 3.38 -1.07 -2.07 115.31 117.07 2pnk h LEU 45 Ca 0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2pnk h LEU 45 Cb 1.17 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2pnk h LEU 45 CO 0.13 0.40 -0.36 -0.07 0.09 0.00 0.00 178.44 178.62 2pnk h LEU 46 N 0.66 0.00 -2.34 1.67 3.38 -1.24 -3.09 115.31 114.36 2pnk h LEU 46 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2pnk h LEU 46 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2pnk h LEU 46 CO -0.06 0.36 0.00 0.35 0.09 0.00 0.00 178.44 179.17 2pnk n THR 47 N -3.59 0.61 -1.50 0.22 -2.24 -0.86 -4.71 114.28 102.21 2pnk n THR 47 Ca -0.00 -0.78 -0.48 0.00 -2.27 0.00 0.00 64.05 60.52 2pnk n THR 47 Cb 0.48 0.80 -0.03 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 1.46 0.45 0.28 4.78 9.36 -0.81 -4.73 117.16 127.95 2pnk n TYR 48 Ca 0.20 0.84 0.15 0.00 3.32 0.00 0.00 57.90 62.42 2pnk n TYR 48 Cb 0.59 -2.11 0.81 0.00 -0.63 0.00 0.00 39.34 38.00 2pnk n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 2pnk h HIS 49 N 1.84 0.00 -0.88 2.98 2.07 -1.92 0.16 115.15 119.40 2pnk h HIS 49 Ca -0.36 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.22 2pnk h HIS 49 Cb 1.39 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.31 2pnk h HIS 49 CO 0.47 0.08 0.56 1.88 -3.07 0.00 0.00 177.93 177.84 2pnk h TYR 50 N 0.00 1.03 0.00 6.12 -1.99 -1.94 -1.57 116.97 118.62 2pnk h TYR 50 Ca -0.00 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.67 2pnk h TYR 50 Cb 0.26 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 2pnk h TYR 50 CO 0.00 0.54 -0.42 -0.07 -0.00 0.00 0.00 178.16 178.21 2pnk h LEU 51 N 1.03 0.00 -0.26 3.88 3.38 -1.27 -2.94 115.31 119.13 2pnk h LEU 51 Ca 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 2pnk h LEU 51 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2pnk h LEU 51 CO -0.16 0.42 0.09 0.58 0.09 0.00 0.00 178.44 179.47 2pnk h VAL 52 N 0.00 1.19 -0.49 1.22 2.07 -1.02 -0.64 116.25 118.58 2pnk h VAL 52 Ca -0.00 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 66.98 2pnk h VAL 52 Cb 1.25 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 2pnk h VAL 52 CO 0.06 0.20 0.20 0.00 0.02 0.00 0.00 177.57 178.04 2pnk h ALA 53 N 0.92 0.61 -0.06 1.67 0.00 -1.31 -2.84 119.26 118.25 2pnk h ALA 53 Ca 0.09 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 2pnk h ALA 53 Cb 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2pnk h ALA 53 CO -0.00 -0.19 -0.75 0.93 0.00 0.00 0.00 179.25 179.24 2pnk h GLU 54 N 0.39 0.36 -2.16 0.00 5.08 -1.33 -3.16 114.58 113.76 2pnk h GLU 54 Ca 0.23 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2pnk h GLU 54 Cb 0.21 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2pnk h GLU 54 CO -0.21 0.96 -0.02 1.55 -1.00 0.00 0.00 179.01 180.28 2pnk n VAL 55 N -3.81 1.48 0.00 3.13 3.14 -0.27 -3.98 118.33 118.03 2pnk n VAL 55 Ca -0.04 -0.56 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 2pnk n VAL 55 Cb 0.72 -1.52 0.00 0.00 -1.06 0.00 0.00 33.84 31.98 2pnk n VAL 55 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2pnk n ARG 57 N 2.11 0.00 -0.01 1.45 1.74 -1.20 -1.20 116.66 119.55 2pnk n ARG 57 Ca 0.11 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.17 2pnk n ARG 57 Cb 0.41 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.84 2pnk n ARG 57 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2pnk n TRP 58 N 0.00 0.00 -2.78 -1.55 5.03 -1.26 -5.08 117.44 111.81 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 -0.11 -0.06 0.00 -1.03 0.00 0.00 31.31 30.11 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 -2.05 4.25 -0.17 -0.99 -1.32 -0.35 -4.96 115.64 110.05 2pnk s THR 59 Ca -0.04 1.61 0.27 0.00 -1.21 0.00 0.00 61.69 62.33 2pnk s THR 59 Cb 0.01 -3.78 0.35 0.00 -1.51 0.00 0.00 72.50 67.57 2pnk s THR 59 CO 0.06 -0.10 1.77 0.44 -2.21 0.00 0.00 174.62 174.59 2pnk h ASP 60 N 2.48 0.00 -2.87 8.08 3.32 -1.98 -3.46 116.42 121.99 2pnk h ASP 60 Ca -0.48 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.05 2pnk h ASP 60 Cb 1.19 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.80 2pnk h ASP 60 CO 0.63 0.03 0.93 -0.69 -1.72 0.00 0.00 179.24 178.42 2pnk s VAL 61 N -3.42 2.28 0.69 -1.35 1.01 -1.26 -4.97 120.40 113.38 2pnk s VAL 61 Ca 0.04 0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 2pnk s VAL 61 Cb 0.07 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.33 2pnk s VAL 61 CO 0.62 0.02 1.12 -0.94 0.00 0.00 0.00 175.10 175.91 2pnk s SER 62 N 1.01 4.88 0.36 3.32 1.04 -1.26 -4.84 113.70 118.21 2pnk s SER 62 Ca 0.70 2.00 0.06 0.00 0.48 0.00 0.00 55.95 59.20 2pnk s SER 62 Cb -0.47 -2.55 0.67 0.00 0.10 0.00 0.00 66.02 63.78 2pnk s SER 62 CO 0.35 -1.78 1.89 -0.29 0.98 0.00 0.00 173.24 174.39 2pnk h ILE 63 N -0.24 1.19 -0.20 -1.02 6.09 -1.97 0.17 117.51 121.53 2pnk h ILE 63 Ca -0.46 -0.76 -0.01 0.00 -1.37 0.00 0.00 64.86 62.26 2pnk h ILE 63 Cb 1.25 1.02 -0.01 0.00 0.47 0.00 0.00 36.82 39.55 2pnk h ILE 63 CO 0.53 0.25 0.09 -0.33 -3.07 0.00 0.00 178.15 175.62 2pnk h GLU 64 N 0.41 0.29 -0.86 2.19 3.07 -1.93 -1.86 114.58 115.90 2pnk h GLU 64 Ca 0.09 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 2pnk h GLU 64 Cb 0.33 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.15 2pnk h GLU 64 CO 0.01 0.34 0.45 0.00 -1.40 0.00 0.00 179.01 178.42 2pnk h ALA 65 N 0.94 1.10 -0.08 3.43 0.00 -1.81 -2.41 119.26 120.43 2pnk h ALA 65 Ca 0.07 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2pnk h ALA 65 Cb 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2pnk h ALA 65 CO -0.01 0.63 -0.09 0.35 0.00 0.00 0.00 179.25 180.13 2pnk h PHE 66 N 1.20 -0.22 0.00 0.00 3.57 -0.77 -2.31 116.94 118.41 2pnk h PHE 66 Ca 0.30 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 2pnk h PHE 66 Cb 0.06 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2pnk h PHE 66 CO 0.01 -0.14 -0.12 -1.49 -2.23 0.00 0.00 178.31 174.34 2pnk h TRP 67 N -0.12 0.00 0.00 0.41 -0.00 -1.16 -3.45 115.95 111.64 2pnk h TRP 67 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 58.89 58.82 2pnk h TRP 67 Cb 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 29.32 2pnk h TRP 67 CO -0.19 0.12 -0.16 0.00 -0.00 0.00 0.00 178.44 178.21 2pnk n ALA 68 N -2.26 4.93 -2.68 1.49 0.00 -0.87 -5.07 120.51 116.05 2pnk n ALA 68 Ca -0.02 -1.27 -0.21 0.00 0.00 0.00 0.00 53.44 51.95 2pnk n ALA 68 Cb 0.26 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 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 2.22 5.67 0.24 0.00 1.04 -1.26 -5.09 113.70 116.51 2pnk s SER 70 Ca 0.46 -0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.58 2pnk s SER 70 Cb 0.22 -1.31 0.40 0.00 0.10 0.00 0.00 66.02 65.44 2pnk s SER 70 CO 0.00 -0.22 1.78 0.50 0.98 0.00 0.00 173.24 176.28 2pnk h LYS 71 N 1.25 0.63 -0.40 4.02 1.63 -1.97 0.18 116.57 121.91 2pnk h LYS 71 Ca -0.47 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.14 2pnk h LYS 71 Cb 1.25 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2pnk h LYS 71 CO 0.58 0.42 -0.32 -0.09 -3.45 0.00 0.00 179.45 176.59 2pnk h ARG 72 N 0.65 0.92 -0.57 1.90 2.43 -1.98 0.15 114.38 117.88 2pnk h ARG 72 Ca 0.39 -0.46 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2pnk h ARG 72 Cb 0.44 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 2pnk h ARG 72 CO -0.29 1.11 0.37 0.93 -1.51 0.00 0.00 179.97 180.58 2pnk h GLU 73 N 0.74 0.72 -0.37 0.20 5.08 -1.86 0.78 114.58 119.88 2pnk h GLU 73 Ca 0.07 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2pnk h GLU 73 Cb 0.91 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2pnk h GLU 73 CO 0.08 0.48 0.21 1.96 -1.00 0.00 0.00 179.01 180.75 2pnk h GLN 74 N 0.74 0.42 -0.74 2.33 4.20 -0.62 -1.76 115.11 119.69 2pnk h GLN 74 Ca 0.22 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 2pnk h GLN 74 Cb -0.05 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 2pnk h GLN 74 CO -0.07 0.28 0.32 0.00 -0.67 0.00 0.00 178.83 178.69 2pnk h ALA 75 N 1.16 0.96 -0.53 3.87 0.00 -0.68 -1.69 119.26 122.35 2pnk h ALA 75 Ca 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pnk h ALA 75 Cb 0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2pnk h ALA 75 CO -0.07 0.56 0.32 -0.44 0.00 0.00 0.00 179.25 179.62 2pnk h ASP 76 N 1.05 0.64 -0.12 0.00 3.32 -0.52 -1.10 116.42 119.69 2pnk h ASP 76 Ca 0.25 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2pnk h ASP 76 Cb 0.18 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2pnk h ASP 76 CO -0.02 0.51 0.06 0.25 -1.72 0.00 0.00 179.24 178.32 2pnk h LEU 77 N 0.71 0.15 -0.69 1.55 5.85 -0.98 -1.06 115.31 120.85 2pnk h LEU 77 Ca 0.19 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2pnk h LEU 77 Cb -0.01 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2pnk h LEU 77 CO -0.04 0.21 0.37 0.40 -0.34 0.00 0.00 178.44 179.04 2pnk h ILE 78 N 0.08 1.22 -0.18 4.05 2.04 -1.21 0.10 117.51 123.60 2pnk h ILE 78 Ca 0.04 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.37 2pnk h ILE 78 Cb 0.09 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2pnk h ILE 78 CO -0.01 0.24 0.05 -0.25 0.00 0.00 0.00 178.15 178.18 2pnk h TRP 79 N 0.94 0.08 0.34 1.37 2.91 -0.99 -0.60 115.95 120.01 2pnk h TRP 79 Ca 0.24 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.25 2pnk h TRP 79 Cb 0.05 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 28.70 2pnk h TRP 79 CO -0.00 0.03 -0.17 1.49 -1.03 0.00 0.00 178.44 178.76 2pnk h GLU 80 N 0.12 -0.45 -0.48 2.65 4.57 -0.74 -1.48 114.58 118.77 2pnk h GLU 80 Ca 0.08 0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.16 2pnk h GLU 80 Cb 0.07 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2pnk h GLU 80 CO -0.10 -0.25 -0.22 0.93 -1.18 0.00 0.00 179.01 178.19 2pnk h GLU 81 N -0.54 1.00 0.00 1.92 4.39 -0.71 -0.60 114.58 120.05 2pnk h GLU 81 Ca -0.05 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2pnk h GLU 81 Cb 0.40 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2pnk h GLU 81 CO 0.08 1.11 -1.49 1.28 -1.16 0.00 0.00 179.01 178.83 2pnk n LEU 82 N -4.11 0.33 -0.03 1.33 4.77 -0.24 -3.76 117.00 115.30 2pnk n LEU 82 Ca 0.00 -0.19 -0.03 0.00 -0.03 0.00 0.00 56.01 55.76 2pnk n LEU 82 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 2pnk n LEU 82 CO 0.47 0.08 -0.67 0.49 -1.33 0.00 0.00 177.39 176.43 2pnk n PHE 83 N -1.89 0.00 -0.11 -1.77 3.01 -0.61 -3.26 117.46 112.83 2pnk n PHE 83 Ca -0.01 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.20 2pnk n PHE 83 Cb 0.42 -0.21 -0.11 0.00 -0.01 0.00 0.00 39.48 39.57 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 -2.57 1.54 0.22 4.37 2.08 -0.85 -4.36 119.36 119.79 2pnk n ILE 84 Ca -0.09 -0.20 0.11 0.00 0.56 0.00 0.00 62.75 63.13 2pnk n ILE 84 Cb 0.61 -1.96 0.25 0.00 -0.75 0.00 0.00 39.64 37.79 2pnk n ILE 84 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2pnk h LYS 85 N -0.94 0.00 -4.31 0.38 1.57 -1.31 -3.44 116.57 108.52 2pnk h LYS 85 Ca -0.49 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.12 2pnk h LYS 85 Cb 1.47 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.61 2pnk h LYS 85 CO -0.28 0.09 -0.69 1.03 -0.57 0.00 0.00 179.45 179.03 2pnk s ARG 86 N -3.27 0.60 0.27 3.15 3.00 -1.25 -5.05 118.95 116.40 2pnk s ARG 86 Ca 0.05 -1.10 -0.29 0.00 0.00 0.00 0.00 55.73 54.38 2pnk s ARG 86 Cb 0.06 0.06 -0.09 0.00 0.00 0.00 0.00 34.95 34.98 2pnk s ARG 86 CO 0.66 -0.07 1.15 -1.12 0.00 0.00 0.00 175.30 175.93 2pnk s SER 87 N -2.59 7.15 -1.20 0.23 0.01 -1.26 -3.46 113.70 112.58 2pnk s SER 87 Ca 0.03 2.33 -0.08 0.00 1.31 0.00 0.00 55.95 59.54 2pnk s SER 87 Cb 0.03 -2.63 -0.08 0.00 0.21 0.00 0.00 66.02 63.55 2pnk s SER 87 CO -0.06 -0.26 2.60 -0.81 0.41 0.00 0.00 173.24 175.12 2pnk n PRO 88 N 1.43 2.85 0.04 12.44 -0.04 -1.20 -4.61 135.00 145.91 2pnk n PRO 88 Ca 0.00 -1.77 0.12 0.00 -0.04 0.00 0.00 63.50 61.81 2pnk n PRO 88 Cb 0.44 -2.58 0.15 0.00 -0.04 0.00 0.00 33.50 31.47 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 3.77 0.27 -1.40 0.52 0.24 -1.26 -3.15 118.33 117.32 2pnk n VAL 89 Ca 0.61 -0.23 -0.34 0.00 -2.04 0.00 0.00 64.34 62.34 2pnk n VAL 89 Cb 0.23 -0.01 0.09 0.00 -1.47 0.00 0.00 33.84 32.68 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 -3.99 4.24 0.21 -1.34 1.04 -1.26 -4.76 113.70 107.84 2pnk s SER 90 Ca 0.06 2.25 -0.10 0.00 0.48 0.00 0.00 55.95 58.64 2pnk s SER 90 Cb 0.14 -2.58 0.22 0.00 0.10 0.00 0.00 66.02 63.90 2pnk s SER 90 CO 0.73 -2.23 1.82 -0.08 0.98 0.00 0.00 173.24 174.47 2pnk h GLU 91 N -0.45 0.70 -0.20 4.02 4.57 -1.97 0.08 114.58 121.33 2pnk h GLU 91 Ca -0.47 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 57.53 2pnk h GLU 91 Cb 1.28 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 2pnk h GLU 91 CO 0.50 0.46 -0.47 0.00 -1.18 0.00 0.00 179.01 178.32 2pnk h ALA 92 N 1.33 0.81 -0.13 2.92 0.00 -1.95 -0.89 119.26 121.36 2pnk h ALA 92 Ca 0.29 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2pnk h ALA 92 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2pnk h ALA 92 CO -0.16 0.66 -0.25 0.00 0.00 0.00 0.00 179.25 179.51 2pnk h ARG 94 N -0.02 0.21 -0.93 0.00 2.43 -0.93 -2.30 114.38 112.84 2pnk h ARG 94 Ca 0.00 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.30 2pnk h ARG 94 Cb 0.84 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.26 2pnk h ARG 94 CO 0.06 0.14 0.59 0.78 -1.51 0.00 0.00 179.97 180.03 2pnk h GLY 95 N 0.22 1.36 1.00 2.80 0.00 -1.04 -0.49 103.07 106.91 2pnk h GLY 95 Ca 0.33 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2pnk h GLY 95 CO -0.45 0.11 0.31 -2.08 0.00 0.00 0.00 176.54 174.43 2pnk h VAL 96 N 0.80 1.22 -0.44 4.60 2.07 -1.24 -1.61 116.25 121.65 2pnk h VAL 96 Ca 0.46 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 2pnk h VAL 96 Cb 0.63 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2pnk h VAL 96 CO -0.23 0.25 0.01 -0.07 0.02 0.00 0.00 177.57 177.55 2pnk h LEU 97 N 0.87 0.76 -1.09 2.57 3.38 -1.01 -2.39 115.31 118.39 2pnk h LEU 97 Ca 0.22 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.98 2pnk h LEU 97 Cb 0.11 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 2pnk h LEU 97 CO -0.03 0.88 0.61 0.74 0.09 0.00 0.00 178.44 180.73 2pnk h THR 98 N 0.62 1.00 -0.19 0.22 2.02 -0.94 -1.33 112.91 114.31 2pnk h THR 98 Ca 0.13 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2pnk h THR 98 Cb 0.49 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2pnk h THR 98 CO 0.02 0.18 0.08 0.00 0.37 0.00 0.00 175.52 176.18 2pnk h LEU 100 N 0.16 0.43 -0.21 0.00 3.38 -1.01 -2.00 115.31 116.06 2pnk h LEU 100 Ca 0.06 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2pnk h LEU 100 Cb 0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2pnk h LEU 100 CO -0.01 0.51 0.03 -0.61 0.09 0.00 0.00 178.44 178.46 2pnk h GLN 101 N 0.33 0.11 -0.68 1.13 4.15 -1.15 0.49 115.11 119.48 2pnk h GLN 101 Ca 0.10 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.63 2pnk h GLN 101 Cb 0.22 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 2pnk h GLN 101 CO -0.00 0.07 0.46 0.78 -1.93 0.00 0.00 178.83 178.20 2pnk h GLY 102 N 0.11 0.69 0.27 2.39 0.00 -0.89 0.08 103.07 105.73 2pnk h GLY 102 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2pnk h GLY 102 CO -0.13 0.10 0.00 1.04 0.00 0.00 0.00 176.54 177.55 2pnk n LEU 103 N -4.48 0.71 0.00 3.11 4.77 -0.77 -4.89 117.00 115.45 2pnk n LEU 103 Ca 0.12 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2pnk n LEU 103 Cb 0.42 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2pnk n LEU 103 CO 0.33 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2pnk n GLY 104 N 1.07 0.51 3.64 -0.72 0.00 0.02 -5.04 105.19 104.66 2pnk n GLY 104 Ca 0.21 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 4.05 -0.45 0.99 1.43 0.11 -5.00 118.68 119.81 2pnk s LEU 105 Ca 0.00 0.07 -0.25 0.00 -1.03 0.00 0.00 54.13 52.92 2pnk s LEU 105 Cb 0.00 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.15 2pnk s LEU 105 CO 0.00 0.05 0.89 -0.62 0.23 0.00 0.00 176.35 176.90 2pnk s ASP 106 N 1.17 6.50 0.64 2.29 -1.08 -1.26 -2.99 116.67 121.95 2pnk s ASP 106 Ca 0.07 0.12 0.42 0.00 -0.52 0.00 0.00 52.55 52.64 2pnk s ASP 106 Cb -0.14 -2.44 2.23 0.00 -1.46 0.00 0.00 42.92 41.12 2pnk s ASP 106 CO 0.05 -0.99 2.31 -0.65 0.52 0.00 0.00 175.17 176.42 2pnk h PRO 107 N 8.98 0.00 -0.69 4.34 0.11 -1.90 -2.93 132.00 139.91 2pnk h PRO 107 Ca -0.24 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.97 2pnk h PRO 107 Cb 1.08 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 2pnk h PRO 107 CO 1.00 0.00 0.45 0.00 -0.21 0.00 0.00 178.00 179.25 2pnk h ALA 108 N 2.00 1.92 0.00 -0.75 0.00 -2.01 -2.56 119.26 117.85 2pnk h ALA 108 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pnk h ALA 108 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2pnk h ALA 108 CO 0.00 -0.07 -0.17 1.79 0.00 0.00 0.00 179.25 180.80 2pnk h THR 109 N 0.54 0.00 -3.82 0.00 1.35 -1.94 -3.47 112.91 105.56 2pnk h THR 109 Ca 0.32 -0.77 -0.25 0.00 -0.55 0.00 0.00 66.41 65.16 2pnk h THR 109 Cb 0.52 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 2pnk h THR 109 CO -0.10 0.00 -0.32 0.54 -0.25 0.00 0.00 175.52 175.39 2pnk n ARG 110 N -2.68 -2.22 -3.11 4.72 1.74 -0.97 -4.87 116.66 109.27 2pnk n ARG 110 Ca 0.04 0.60 -0.44 0.00 -0.77 0.00 0.00 57.85 57.28 2pnk n ARG 110 Cb 0.49 -5.20 0.00 0.00 -1.02 0.00 0.00 32.46 26.73 2pnk n ARG 110 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pnk n ASP 111 N -1.80 5.47 -0.28 0.55 -0.08 -1.26 -4.87 116.55 114.27 2pnk n ASP 111 Ca -0.15 -3.05 0.10 0.00 -1.51 0.00 0.00 54.79 50.18 2pnk n ASP 111 Cb 0.61 -1.45 0.34 0.00 2.34 0.00 0.00 41.12 42.96 2pnk n ASP 111 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2pnk h LEU 112 N 7.74 0.73 -0.65 -2.67 5.85 -1.99 -0.50 115.31 123.83 2pnk h LEU 112 Ca 0.25 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 2pnk h LEU 112 Cb 0.83 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 2pnk h LEU 112 CO 1.17 0.39 0.22 1.56 -0.34 0.00 0.00 178.44 181.44 2pnk h GLN 113 N 0.79 1.00 -0.60 1.25 1.08 -2.00 -1.91 115.11 114.72 2pnk h GLN 113 Ca 0.44 -0.21 -0.05 0.00 -1.45 0.00 0.00 58.65 57.39 2pnk h GLN 113 Cb 0.59 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 2pnk h GLN 113 CO -0.21 0.86 0.17 0.28 -0.95 0.00 0.00 178.83 178.99 2pnk h VAL 114 N 0.93 1.25 -0.60 -0.54 2.07 -1.54 -2.33 116.25 115.49 2pnk h VAL 114 Ca 0.21 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.95 2pnk h VAL 114 Cb 0.27 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 2pnk h VAL 114 CO -0.01 0.32 0.29 1.88 0.02 0.00 0.00 177.57 180.07 2pnk h TYR 115 N 0.85 0.52 -0.56 1.57 0.05 -0.96 -2.53 116.97 115.92 2pnk h TYR 115 Ca 0.19 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.97 2pnk h TYR 115 Cb 0.31 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 2pnk h TYR 115 CO 0.02 0.22 0.26 0.00 -1.05 0.00 0.00 178.16 177.61 2pnk h ARG 116 N 0.53 0.78 -0.59 4.88 3.08 -1.10 -2.11 114.38 119.85 2pnk h ARG 116 Ca 0.28 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.29 2pnk h ARG 116 Cb 0.24 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 2pnk h ARG 116 CO -0.22 0.61 0.39 0.93 -1.07 0.00 0.00 179.97 180.62 2pnk h GLU 117 N 0.78 0.55 -0.43 0.04 5.08 -0.97 -2.40 114.58 117.23 2pnk h GLU 117 Ca 0.19 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2pnk h GLU 117 Cb 0.09 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2pnk h GLU 117 CO -0.03 0.36 0.21 -0.92 -1.00 0.00 0.00 179.01 177.63 2pnk h TYR 118 N 0.56 0.38 0.00 4.33 5.03 -1.34 -2.91 116.97 123.02 2pnk h TYR 118 Ca 0.26 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.46 2pnk h TYR 118 Cb 0.29 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 2pnk h TYR 118 CO -0.00 0.19 -0.59 0.74 -1.32 0.00 0.00 178.16 177.18 2pnk h PHE 119 N 0.42 0.00 0.00 -3.82 0.04 -1.52 -3.02 116.94 109.05 2pnk h PHE 119 Ca 0.18 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 2pnk h PHE 119 Cb 0.10 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 2pnk h PHE 119 CO -0.11 0.59 -0.07 0.00 -0.60 0.00 0.00 178.31 178.13 2pnk h ALA 120 N 1.41 1.14 -0.00 2.45 0.00 -1.26 -2.93 119.26 120.06 2pnk h ALA 120 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2pnk h ALA 120 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2pnk h ALA 120 CO 0.08 0.09 -0.16 1.63 0.00 0.00 0.00 179.25 180.88 2pnk n LYS 121 N -3.37 0.19 -4.44 0.00 5.02 -1.14 -4.95 118.16 109.48 2pnk n LYS 121 Ca -0.01 -0.06 -0.26 0.00 -2.02 0.00 0.00 58.31 55.96 2pnk n LYS 121 Cb 0.23 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 2pnk n LYS 121 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2pnk s LYS 122 N -2.85 1.59 0.52 1.97 1.02 -1.11 -5.14 119.74 115.74 2pnk s LYS 122 Ca 0.18 -1.62 -0.03 0.00 0.02 0.00 0.00 55.97 54.52 2pnk s LYS 122 Cb 0.19 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.68 2pnk s LYS 122 CO 0.56 0.37 0.78 0.95 -0.92 0.00 0.00 175.35 177.09 2pnk s THR 123 N -2.00 3.84 0.19 2.17 -4.23 -1.26 -4.97 115.64 109.38 2pnk s THR 123 Ca 0.24 -0.25 -0.12 0.00 -1.18 0.00 0.00 61.69 60.38 2pnk s THR 123 Cb -0.07 -3.47 0.10 0.00 1.34 0.00 0.00 72.50 70.41 2pnk s THR 123 CO 0.12 -0.40 1.76 0.28 -0.54 0.00 0.00 174.62 175.84 2pnk h SER 124 N 0.13 0.28 -0.46 3.99 0.02 -1.97 -1.35 113.55 114.19 2pnk h SER 124 Ca -0.46 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.46 2pnk h SER 124 Cb 1.25 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 2pnk h SER 124 CO 0.59 0.19 -0.03 -0.33 -1.14 0.00 0.00 176.83 176.11 2pnk h GLU 125 N 0.44 0.83 -0.78 3.45 3.07 -1.94 -1.45 114.58 118.20 2pnk h GLU 125 Ca 0.25 -0.28 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 2pnk h GLU 125 Cb 0.23 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 2pnk h GLU 125 CO -0.22 0.90 0.46 0.93 -1.40 0.00 0.00 179.01 179.67 2pnk h GLU 126 N 0.67 1.07 -0.12 2.33 5.08 -1.90 -2.25 114.58 119.46 2pnk h GLU 126 Ca 0.13 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2pnk h GLU 126 Cb 0.54 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2pnk h GLU 126 CO 0.03 0.76 -0.47 0.37 -1.00 0.00 0.00 179.01 178.70 2pnk h GLN 127 N 1.07 0.31 -0.57 2.33 5.75 -1.03 -1.15 115.11 121.82 2pnk h GLN 127 Ca 0.28 -0.17 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 2pnk h GLN 127 Cb -0.02 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 2pnk h GLN 127 CO -0.05 0.72 0.25 0.28 -2.65 0.00 0.00 178.83 177.38 2pnk h VAL 128 N 0.25 1.21 -0.05 2.39 2.07 -1.11 0.12 116.25 121.12 2pnk h VAL 128 Ca 0.01 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2pnk h VAL 128 Cb 0.93 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2pnk h VAL 128 CO 0.08 0.25 0.03 0.44 0.02 0.00 0.00 177.57 178.38 2pnk h ASP 129 N 0.77 0.07 -0.07 0.57 3.32 -1.09 -1.74 116.42 118.25 2pnk h ASP 129 Ca 0.19 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.16 2pnk h ASP 129 Cb 0.15 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2pnk h ASP 129 CO -0.02 0.15 -0.05 0.74 -1.72 0.00 0.00 179.24 178.35 2pnk h THR 130 N -0.02 0.85 -0.39 0.35 2.02 -1.07 -2.71 112.91 111.94 2pnk h THR 130 Ca 0.02 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 2pnk h THR 130 Cb 0.10 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2pnk h THR 130 CO -0.00 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.46 2pnk h VAL 131 N -0.05 1.26 -0.45 3.16 2.07 -0.69 -1.30 116.25 120.25 2pnk h VAL 131 Ca 0.05 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 2pnk h VAL 131 Cb 0.12 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2pnk h VAL 131 CO -0.11 0.34 0.10 -0.07 0.02 0.00 0.00 177.57 177.86 2pnk h LEU 132 N 0.51 0.62 0.05 2.57 3.38 -1.34 0.13 115.31 121.23 2pnk h LEU 132 Ca 0.11 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2pnk h LEU 132 Cb 0.48 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2pnk h LEU 132 CO 0.02 0.63 -0.02 -0.61 0.09 0.00 0.00 178.44 178.55 2pnk h GLN 133 N 0.66 -0.06 -0.86 1.13 4.15 -1.41 -0.30 115.11 118.41 2pnk h GLN 133 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 2pnk h GLN 133 Cb 0.26 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 2pnk h GLN 133 CO -0.00 0.34 0.46 -0.07 -1.93 0.00 0.00 178.83 177.63 2pnk h LEU 134 N -0.48 1.08 -0.02 -2.39 3.38 -0.84 -2.48 115.31 113.57 2pnk h LEU 134 Ca -0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2pnk h LEU 134 Cb 0.43 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2pnk h LEU 134 CO 0.01 0.87 -0.18 0.00 0.09 0.00 0.00 178.44 179.23 2pnk n ALA 135 N -2.41 2.79 -3.58 1.53 0.00 0.41 -4.96 120.51 114.29 2pnk n ALA 135 Ca 0.09 -0.20 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 2pnk n ALA 135 Cb 0.10 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.45 -2.66 -4.25 0.00 5.15 -0.37 -4.85 115.26 106.83 2pnk n ASN 136 Ca 0.07 -0.79 -0.35 0.00 -0.60 0.00 0.00 54.58 52.92 2pnk n ASN 136 Cb 0.33 -4.35 -0.14 0.00 -0.53 0.00 0.00 39.78 35.08 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 -3.55 3.03 -0.04 3.44 1.01 -0.27 -0.77 120.40 123.25 2pnk s VAL 137 Ca 0.13 -0.69 0.13 0.00 0.00 0.00 0.00 61.98 61.54 2pnk s VAL 137 Cb -0.03 -2.40 -0.19 0.00 0.00 0.00 0.00 36.38 33.76 2pnk s VAL 137 CO 0.79 0.39 0.82 0.77 0.00 0.00 0.00 175.10 177.87 2pnk h SER 138 N 8.06 0.00 -3.52 3.32 4.64 -1.37 -3.44 113.55 121.25 2pnk h SER 138 Ca -0.40 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.70 2pnk h SER 138 Cb 1.14 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.94 2pnk h SER 138 CO 0.61 0.88 -0.56 -1.81 -0.87 0.00 0.00 176.83 175.07 2pnk s ASP 139 N -6.12 -0.15 -0.10 4.97 1.01 -1.17 -4.73 116.67 110.38 2pnk s ASP 139 Ca -0.03 0.34 0.03 0.00 0.71 0.00 0.00 52.55 53.60 2pnk s ASP 139 Cb 0.08 0.26 -0.00 0.00 1.01 0.00 0.00 42.92 44.27 2pnk s ASP 139 CO 0.82 -0.12 -0.22 -0.69 0.21 0.00 0.00 175.17 175.17 2pnk s VAL 140 N 0.88 2.27 0.66 -1.27 1.01 0.23 -0.91 120.40 123.26 2pnk s VAL 140 Ca -0.07 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.01 2pnk s VAL 140 Cb -0.08 -1.88 0.11 0.00 0.00 0.00 0.00 36.38 34.53 2pnk s VAL 140 CO -0.05 0.55 0.91 -0.69 0.00 0.00 0.00 175.10 175.82 2pnk s VAL 141 N 0.30 2.11 -0.20 2.92 1.01 0.51 -0.21 120.40 126.84 2pnk s VAL 141 Ca -0.16 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 2pnk s VAL 141 Cb -0.17 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 33.95 2pnk s VAL 141 CO 0.08 0.00 0.04 -0.89 0.00 0.00 0.00 175.10 174.33 2pnk s THR 143 N -2.93 0.54 -0.25 3.92 2.01 -0.82 -1.39 115.64 116.73 2pnk s THR 143 Ca 0.65 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 2pnk s THR 143 Cb -0.05 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.40 2pnk s THR 143 CO 0.42 -0.24 -0.03 0.20 -0.69 0.00 0.00 174.62 174.29 2pnk s ASN 144 N 1.85 4.47 -0.38 3.53 -0.87 0.24 -4.95 114.94 118.82 2pnk s ASN 144 Ca -0.00 -0.70 -0.05 0.00 -1.57 0.00 0.00 52.86 50.54 2pnk s ASN 144 Cb -0.17 -1.73 0.08 0.00 -0.02 0.00 0.00 41.25 39.41 2pnk s ASN 144 CO -0.09 -0.11 0.17 -0.62 -2.57 0.00 0.00 177.10 173.88 2pnk s ASP 145 N 1.41 5.30 0.25 -1.22 -1.08 -1.26 -0.48 116.67 119.59 2pnk s ASP 145 Ca 0.02 -1.61 0.21 0.00 -0.52 0.00 0.00 52.55 50.65 2pnk s ASP 145 Cb -0.16 -1.86 0.97 0.00 -1.46 0.00 0.00 42.92 40.41 2pnk s ASP 145 CO -0.03 -0.46 1.64 -0.81 0.52 0.00 0.00 175.17 176.03 2pnk n PRO 146 N 4.73 0.15 0.00 4.34 -0.04 -1.26 -1.78 135.00 141.14 2pnk n PRO 146 Ca -0.08 0.50 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 2pnk n PRO 146 Cb 0.43 -1.86 0.50 0.00 -0.04 0.00 0.00 33.50 32.53 2pnk n PRO 146 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2pnk n PHE 147 N -2.16 0.00 -3.16 0.54 3.72 -1.26 -4.66 117.46 110.48 2pnk n PHE 147 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 2pnk n PHE 147 Cb 0.14 -0.20 -0.07 0.00 -0.94 0.00 0.00 39.48 38.41 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 -2.58 6.49 0.23 4.37 -1.08 -0.73 -4.95 116.67 118.42 2pnk s ASP 148 Ca 0.24 0.52 -0.06 0.00 -0.52 0.00 0.00 52.55 52.74 2pnk s ASP 148 Cb 0.19 -2.31 0.32 0.00 -1.46 0.00 0.00 42.92 39.67 2pnk s ASP 148 CO 0.52 -0.38 1.82 0.44 0.52 0.00 0.00 175.17 178.09 2pnk h ASP 149 N 8.05 0.68 -0.23 -0.34 3.32 -1.87 0.79 116.42 126.83 2pnk h ASP 149 Ca -0.28 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 2pnk h ASP 149 Cb 1.13 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 2pnk h ASP 149 CO 0.76 0.42 0.11 0.78 -1.72 0.00 0.00 179.24 179.60 2pnk h ASN 150 N 0.81 0.30 -0.26 6.45 2.35 -1.95 -2.74 115.58 120.54 2pnk h ASN 150 Ca 0.36 -0.12 -0.17 0.00 -0.55 0.00 0.00 56.30 55.82 2pnk h ASN 150 Cb 0.24 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2pnk h ASN 150 CO -0.20 0.34 -0.48 -0.08 -1.65 0.00 0.00 177.43 175.35 2pnk h GLU 151 N 0.24 0.79 -0.81 0.81 4.81 -1.76 -3.25 114.58 115.41 2pnk h GLU 151 Ca 0.08 -0.50 0.03 0.00 -0.13 0.00 0.00 59.36 58.84 2pnk h GLU 151 Cb 0.12 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 2pnk h GLU 151 CO -0.01 1.13 0.54 -0.09 -0.73 0.00 0.00 179.01 179.84 2pnk h ARG 152 N 0.54 0.99 -0.92 1.92 2.43 -0.76 -1.75 114.38 116.83 2pnk h ARG 152 Ca 0.01 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2pnk h ARG 152 Cb 1.09 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 30.37 2pnk h ARG 152 CO 0.11 0.66 0.61 0.82 -1.51 0.00 0.00 179.97 180.65 2pnk h ILE 153 N 1.02 1.23 -0.18 1.20 2.04 -1.52 -0.02 117.51 121.28 2pnk h ILE 153 Ca 0.32 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2pnk h ILE 153 Cb 0.01 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 35.97 2pnk h ILE 153 CO -0.09 0.22 0.01 0.28 0.00 0.00 0.00 178.15 178.58 2pnk h SER 154 N 1.23 0.30 -0.54 1.72 0.02 -1.43 0.06 113.55 114.91 2pnk h SER 154 Ca 0.34 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2pnk h SER 154 Cb -0.12 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 2pnk h SER 154 CO -0.08 0.51 0.34 -0.50 -1.14 0.00 0.00 176.83 175.96 2pnk h TRP 155 N 0.07 0.64 -0.15 3.45 4.06 -1.43 -2.11 115.95 120.48 2pnk h TRP 155 Ca 0.05 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.95 2pnk h TRP 155 Cb 0.35 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 2pnk h TRP 155 CO 0.03 0.38 -0.23 -0.07 -3.56 0.00 0.00 178.44 174.98 2pnk h LEU 156 N 0.68 0.26 -1.48 -4.49 3.38 -0.74 -2.35 115.31 110.56 2pnk h LEU 156 Ca 0.21 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2pnk h LEU 156 Cb -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2pnk h LEU 156 CO -0.08 0.50 0.00 -0.62 0.09 0.00 0.00 178.44 178.34 2pnk n GLU 157 N -4.17 2.06 -0.39 1.13 1.02 -0.01 -4.88 120.64 115.39 2pnk n GLU 157 Ca -0.01 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 2pnk n GLU 157 Cb 0.35 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 2pnk n GLU 157 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pnk n GLY 158 N 0.66 0.77 3.71 0.62 0.00 -0.88 -5.02 105.19 105.04 2pnk n GLY 158 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.61 4.25 -0.02 1.61 -0.14 -0.82 -5.02 119.74 118.99 2pnk s LYS 159 Ca 0.00 2.22 0.03 0.00 -1.36 0.00 0.00 55.97 56.85 2pnk s LYS 159 Cb 0.00 -3.36 -0.03 0.00 -1.68 0.00 0.00 37.83 32.76 2pnk s LYS 159 CO 0.00 -0.59 -0.08 -0.65 -0.76 0.00 0.00 175.35 173.27 2pnk s GLN 160 N 1.72 2.57 0.71 1.68 -1.52 -1.26 -4.56 119.66 119.01 2pnk s GLN 160 Ca 0.69 -0.69 -0.13 0.00 -1.95 0.00 0.00 55.36 53.28 2pnk s GLN 160 Cb -0.39 -2.50 0.03 0.00 -0.22 0.00 0.00 33.01 29.93 2pnk s GLN 160 CO 0.31 0.62 1.10 -1.25 -0.25 0.00 0.00 175.29 175.81 2pnk s PRO 161 N -1.20 2.55 0.88 2.91 0.04 -1.26 -4.97 135.00 133.96 2pnk s PRO 161 Ca 0.15 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 2pnk s PRO 161 Cb -0.11 -1.93 0.12 0.00 0.04 0.00 0.00 34.50 32.62 2pnk s PRO 161 CO 0.05 -1.43 1.09 0.16 0.04 0.00 0.00 177.00 176.92 2pnk s ASP 162 N -3.03 3.57 0.09 6.66 1.47 -1.26 -4.88 116.67 119.29 2pnk s ASP 162 Ca 0.64 1.52 0.14 0.00 1.18 0.00 0.00 52.55 56.03 2pnk s ASP 162 Cb -0.18 -2.20 0.63 0.00 -0.34 0.00 0.00 42.92 40.83 2pnk s ASP 162 CO 0.49 -2.58 1.45 -1.54 0.68 0.00 0.00 175.17 173.66 2pnk n SER 163 N -3.85 0.21 0.06 2.11 3.41 -1.26 -1.14 113.62 113.16 2pnk n SER 163 Ca 0.07 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 2pnk n SER 163 Cb 0.55 -0.61 0.37 0.00 -0.26 0.00 0.00 64.21 64.26 2pnk n SER 163 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pnk n ARG 164 N -1.75 0.19 -4.78 4.33 1.74 -1.26 -4.66 116.66 110.47 2pnk n ARG 164 Ca 0.02 0.11 -0.33 0.00 -0.77 0.00 0.00 57.85 56.88 2pnk n ARG 164 Cb 0.14 -1.68 -0.13 0.00 -1.02 0.00 0.00 32.46 29.77 2pnk n ARG 164 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2pnk s PHE 165 N -3.09 2.80 0.03 -1.55 0.40 -0.29 -0.60 117.98 115.68 2pnk s PHE 165 Ca 0.10 -0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.26 2pnk s PHE 165 Cb 0.14 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.94 2pnk s PHE 165 CO 0.63 0.12 -0.19 -1.01 0.70 0.00 0.00 175.22 175.47 2pnk s HIS 166 N -0.45 1.66 0.27 0.36 3.76 0.71 -4.70 115.29 116.91 2pnk s HIS 166 Ca 0.06 -0.36 -0.16 0.00 -0.15 0.00 0.00 55.06 54.45 2pnk s HIS 166 Cb -0.12 -1.01 -0.09 0.00 1.11 0.00 0.00 32.58 32.48 2pnk s HIS 166 CO 0.02 0.06 0.71 0.00 -0.85 0.00 0.00 174.74 174.68 2pnk s ALA 167 N -0.73 3.38 -0.03 -1.40 0.00 -1.26 -4.34 121.76 117.38 2pnk s ALA 167 Ca 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.08 2pnk s ALA 167 Cb -0.08 -2.76 0.03 0.00 0.00 0.00 0.00 23.12 20.31 2pnk s ALA 167 CO 0.01 0.35 0.03 0.00 0.00 0.00 0.00 175.76 176.14 2pnk s ALA 168 N -1.78 0.22 -0.51 0.00 0.00 -1.26 -0.71 121.76 117.72 2pnk s ALA 168 Ca 0.49 0.22 -0.25 0.00 0.00 0.00 0.00 51.96 52.42 2pnk s ALA 168 Cb -0.13 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.65 2pnk s ALA 168 CO 0.19 -0.20 0.93 -1.17 0.00 0.00 0.00 175.76 175.51 2pnk s LEU 169 N 1.34 4.06 -0.12 0.00 2.96 -0.70 -0.60 118.68 125.62 2pnk s LEU 169 Ca -0.06 -0.13 -0.25 0.00 -0.22 0.00 0.00 54.13 53.47 2pnk s LEU 169 Cb -0.13 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 2pnk s LEU 169 CO -0.03 -1.13 0.82 -0.60 -1.32 0.00 0.00 176.35 174.08 2pnk s ARG 170 N 3.83 4.37 -0.02 1.98 3.52 0.37 -0.66 118.95 132.34 2pnk s ARG 170 Ca 0.33 1.03 0.03 0.00 -0.13 0.00 0.00 55.73 57.00 2pnk s ARG 170 Cb -0.11 -3.53 0.06 0.00 -1.56 0.00 0.00 34.95 29.81 2pnk s ARG 170 CO 0.23 -0.19 1.04 1.28 -0.81 0.00 0.00 175.30 176.84 2pnk n LEU 171 N 4.68 2.11 -0.21 -0.88 4.77 0.16 -4.44 117.00 123.20 2pnk n LEU 171 Ca 0.03 -2.17 0.01 0.00 -0.03 0.00 0.00 56.01 53.85 2pnk n LEU 171 Cb 0.50 -0.08 0.10 0.00 -2.33 0.00 0.00 43.42 41.61 2pnk n LEU 171 CO 0.48 0.54 0.84 0.44 -1.33 0.00 0.00 177.39 178.37 2pnk h ASP 172 N 0.11 -0.26 0.19 -1.43 5.19 -1.92 -1.62 116.42 116.68 2pnk h ASP 172 Ca 0.00 0.15 -0.06 0.00 -0.62 0.00 0.00 57.03 56.50 2pnk h ASP 172 Cb 0.59 0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 2pnk h ASP 172 CO 0.00 -0.11 -0.25 -0.65 -3.12 0.00 0.00 179.24 175.11 2pnk h PRO 173 N 0.12 0.11 0.01 3.56 0.11 -1.95 0.11 132.00 134.08 2pnk h PRO 173 Ca 0.33 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.40 2pnk h PRO 173 Cb 0.53 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.63 2pnk h PRO 173 CO -0.53 0.36 -0.01 1.25 -0.21 0.00 0.00 178.00 178.87 2pnk h LEU 174 N 0.10 -0.02 0.24 2.35 5.85 -1.63 -2.38 115.31 119.82 2pnk h LEU 174 Ca 0.02 -0.27 -0.33 0.00 0.84 0.00 0.00 57.88 58.13 2pnk h LEU 174 Cb 0.50 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.57 2pnk h LEU 174 CO 0.04 0.26 -1.50 -0.07 -0.34 0.00 0.00 178.44 176.83 2pnk h LEU 175 N -0.30 0.79 0.00 2.25 3.38 -1.29 -3.27 115.31 116.87 2pnk h LEU 175 Ca -0.00 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.09 2pnk h LEU 175 Cb 0.29 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2pnk h LEU 175 CO 0.00 1.69 -1.37 0.59 0.09 0.00 0.00 178.44 179.45 2pnk n ASN 176 N -3.69 0.49 -1.58 -0.43 3.02 0.37 -3.57 115.26 109.87 2pnk n ASN 176 Ca -0.17 -0.24 0.02 0.00 -0.03 0.00 0.00 54.58 54.16 2pnk n ASN 176 Cb 1.10 1.23 0.06 0.00 -0.61 0.00 0.00 39.78 41.56 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 -2.04 0.87 -0.09 3.52 1.02 -0.91 -4.91 120.64 118.11 2pnk n GLU 177 Ca 0.00 -2.68 0.11 0.00 -0.02 0.00 0.00 57.16 54.57 2pnk n GLU 177 Cb 0.47 -0.77 0.48 0.00 -0.02 0.00 0.00 31.44 31.60 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 1.36 0.47 -0.78 -0.32 3.20 -1.58 0.68 116.97 120.00 2pnk h TYR 178 Ca -0.13 0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.86 2pnk h TYR 178 Cb 1.58 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 39.64 2pnk h TYR 178 CO 0.40 0.23 0.51 0.93 -1.64 0.00 0.00 178.16 178.59 2pnk h GLU 179 N 0.45 0.64 0.06 1.82 4.39 -1.90 0.17 114.58 120.20 2pnk h GLU 179 Ca 0.27 -0.04 -0.22 0.00 0.34 0.00 0.00 59.36 59.72 2pnk h GLU 179 Cb 0.48 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2pnk h GLU 179 CO -0.08 0.42 -1.14 1.96 -1.16 0.00 0.00 179.01 179.02 2pnk h GLN 180 N 0.65 0.12 0.00 2.33 4.20 -1.65 -3.41 115.11 117.35 2pnk h GLN 180 Ca 0.37 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 2pnk h GLN 180 Cb 0.54 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2pnk h GLN 180 CO -0.14 1.10 -0.31 1.15 -0.67 0.00 0.00 178.83 179.96 2pnk h THR 181 N -0.65 1.21 -0.82 -0.54 2.02 -0.68 -2.40 112.91 111.04 2pnk h THR 181 Ca -0.27 -1.05 0.18 0.00 0.77 0.00 0.00 66.41 66.03 2pnk h THR 181 Cb 1.48 1.57 -0.16 0.00 -1.74 0.00 0.00 68.15 69.31 2pnk h THR 181 CO -0.04 0.30 -0.15 1.17 0.37 0.00 0.00 175.52 177.16 2pnk n LYS 182 N -4.16 -0.07 0.07 6.66 4.81 0.57 -0.73 118.16 125.32 2pnk n LYS 182 Ca -0.02 1.27 -0.14 0.00 -0.87 0.00 0.00 58.31 58.55 2pnk n LYS 182 Cb 0.35 -1.93 -0.06 0.00 0.02 0.00 0.00 35.03 33.41 2pnk n LYS 182 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2pnk h HIS 183 N 0.00 0.61 -0.25 5.64 3.86 -1.68 -2.22 115.15 121.11 2pnk h HIS 183 Ca 0.42 -0.35 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2pnk h HIS 183 Cb 0.70 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 2pnk h HIS 183 CO -0.58 1.19 0.15 0.00 0.86 0.00 0.00 177.93 179.55 2pnk h ARG 184 N 0.21 0.34 -0.55 2.45 3.08 -1.48 -1.61 114.38 116.82 2pnk h ARG 184 Ca -0.09 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.00 2pnk h ARG 184 Cb 1.66 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.58 2pnk h ARG 184 CO 0.17 0.27 0.23 -0.07 -1.07 0.00 0.00 179.97 179.50 2pnk h LEU 185 N 0.32 0.27 -1.17 3.04 3.38 -0.79 -1.52 115.31 118.84 2pnk h LEU 185 Ca 0.09 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.12 2pnk h LEU 185 Cb 0.02 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2pnk h LEU 185 CO -0.02 0.18 0.54 0.03 0.09 0.00 0.00 178.44 179.26 2pnk h ARG 186 N 0.43 1.10 0.00 1.13 3.08 -1.15 -0.77 114.38 118.20 2pnk h ARG 186 Ca 0.26 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2pnk h ARG 186 Cb 0.26 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2pnk h ARG 186 CO -0.24 0.74 -0.08 0.22 -1.07 0.00 0.00 179.97 179.54 2pnk h ASP 187 N 1.13 0.00 -0.54 7.04 3.58 -0.31 -1.70 116.42 125.63 2pnk h ASP 187 Ca 0.30 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.75 2pnk h ASP 187 Cb -0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2pnk h ASP 187 CO -0.06 0.08 0.00 0.79 -2.88 0.00 0.00 179.24 177.16 2pnk n TRP 188 N -4.42 0.78 -0.77 0.28 8.01 -0.79 -4.92 117.44 115.61 2pnk n TRP 188 Ca -0.03 -0.37 0.00 0.00 -1.31 0.00 0.00 57.50 55.79 2pnk n TRP 188 Cb 0.16 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.43 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 1.30 0.65 3.55 6.99 0.00 -0.64 -5.02 105.19 112.03 2pnk n GLY 189 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.17 3.05 -1.53 1.61 2.02 -0.36 -4.95 117.35 115.02 2pnk s TYR 190 Ca 0.00 0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 56.86 2pnk s TYR 190 Cb 0.00 -3.50 -0.02 0.00 -0.40 0.00 0.00 41.96 38.04 2pnk s TYR 190 CO 0.00 -0.86 2.64 1.63 -1.57 0.00 0.00 175.55 177.39 2pnk n LYS 191 N 6.51 3.54 -2.55 -0.62 4.76 -1.26 -3.00 118.16 125.54 2pnk n LYS 191 Ca 0.02 -2.51 -0.40 0.00 -2.87 0.00 0.00 58.31 52.55 2pnk n LYS 191 Cb 0.48 -2.93 -0.05 0.00 -1.84 0.00 0.00 35.03 30.69 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 2.06 3.64 0.62 -0.18 -7.23 -1.26 -4.48 120.40 113.56 2pnk s VAL 192 Ca 0.60 1.65 0.01 0.00 -1.81 0.00 0.00 61.98 62.44 2pnk s VAL 192 Cb 0.16 -4.05 0.08 0.00 0.56 0.00 0.00 36.38 33.13 2pnk s VAL 192 CO -0.07 0.39 0.86 0.20 -0.31 0.00 0.00 175.10 176.17 2pnk s ASN 193 N -0.97 4.89 0.27 4.85 0.01 -1.26 -4.94 114.94 117.79 2pnk s ASN 193 Ca 0.44 -0.26 0.09 0.00 -0.71 0.00 0.00 52.86 52.42 2pnk s ASN 193 Cb -0.30 -0.39 0.36 0.00 0.41 0.00 0.00 41.25 41.33 2pnk s ASN 193 CO 0.39 -1.45 1.62 0.44 -1.51 0.00 0.00 177.10 176.59 2pnk h ASP 194 N -0.15 0.08 -3.47 -1.22 3.32 -2.02 -3.43 116.42 109.53 2pnk h ASP 194 Ca -0.38 -0.04 -0.53 0.00 0.02 0.00 0.00 57.03 56.09 2pnk h ASP 194 Cb 1.28 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 2pnk h ASP 194 CO 0.46 0.65 -0.03 -1.61 -1.72 0.00 0.00 179.24 176.99 2pnk s GLU 195 N -3.72 3.97 -1.06 3.56 8.01 -1.26 -5.00 118.70 123.20 2pnk s GLU 195 Ca -0.02 0.51 -0.19 0.00 0.01 0.00 0.00 54.97 55.28 2pnk s GLU 195 Cb 0.13 -2.74 0.10 0.00 -4.31 0.00 0.00 34.13 27.31 2pnk s GLU 195 CO 0.77 0.35 1.37 -0.46 0.01 0.00 0.00 175.26 177.30 2pnk s TRP 196 N -1.69 2.93 0.29 1.61 -0.11 -1.26 -4.69 118.94 116.01 2pnk s TRP 196 Ca 0.45 -1.35 0.01 0.00 1.22 0.00 0.00 56.10 56.43 2pnk s TRP 196 Cb -0.13 -4.50 -0.00 0.00 -1.50 0.00 0.00 33.47 27.34 2pnk s TRP 196 CO 0.20 -1.67 0.03 0.27 -4.62 0.00 0.00 176.95 171.15 2pnk n ASN 197 N 7.48 2.29 -0.22 5.86 0.23 -1.26 -4.99 115.26 124.64 2pnk n ASN 197 Ca 0.33 -2.32 0.04 0.00 -0.53 0.00 0.00 54.58 52.09 2pnk n ASN 197 Cb 0.48 0.34 0.29 0.00 -2.08 0.00 0.00 39.78 38.82 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 0.88 -0.51 -3.83 -0.00 -1.99 -1.50 114.58 107.63 2pnk h GLU 198 Ca -0.23 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.36 59.06 2pnk h GLU 198 Cb 0.75 -0.20 -0.02 0.00 -0.00 0.00 0.00 28.75 29.28 2pnk h GLU 198 CO 0.38 0.58 0.26 0.78 -0.00 0.00 0.00 179.01 181.02 2pnk h GLY 199 N 0.91 0.78 1.08 1.06 0.00 -1.94 -0.45 103.07 104.50 2pnk h GLY 199 Ca 0.32 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 2pnk h GLY 199 CO -0.10 0.36 -0.09 1.76 0.00 0.00 0.00 176.54 178.46 2pnk h SER 200 N 0.68 1.02 -0.19 0.19 0.02 -1.53 -1.37 113.55 112.36 2pnk h SER 200 Ca 0.18 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 2pnk h SER 200 Cb 0.09 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2pnk h SER 200 CO -0.03 1.12 0.06 0.40 -1.14 0.00 0.00 176.83 177.25 2pnk h ILE 201 N 0.90 1.19 -0.83 3.27 2.04 -1.20 -1.58 117.51 121.29 2pnk h ILE 201 Ca 0.14 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.45 2pnk h ILE 201 Cb 0.66 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 2pnk h ILE 201 CO 0.05 0.18 0.54 1.56 0.00 0.00 0.00 178.15 180.48 2pnk h GLN 202 N 0.13 1.03 0.00 2.37 7.50 -1.00 -1.73 115.11 123.42 2pnk h GLN 202 Ca 0.06 -0.06 -0.17 0.00 0.50 0.00 0.00 58.65 58.98 2pnk h GLN 202 Cb 0.23 -0.23 -0.02 0.00 0.05 0.00 0.00 27.48 27.50 2pnk h GLN 202 CO -0.00 0.68 -0.80 0.93 -1.50 0.00 0.00 178.83 178.14 2pnk h GLU 203 N 1.06 0.00 -0.46 1.46 4.39 -1.13 -1.05 114.58 118.85 2pnk h GLU 203 Ca 0.32 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.89 2pnk h GLU 203 Cb -0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2pnk h GLU 203 CO -0.10 0.80 -0.22 0.28 -1.16 0.00 0.00 179.01 178.61 2pnk h VAL 204 N 0.00 1.27 -0.59 3.13 2.07 -1.17 -1.67 116.25 119.30 2pnk h VAL 204 Ca -0.01 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 2pnk h VAL 204 Cb 1.43 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 2pnk h VAL 204 CO 0.10 0.47 0.18 0.11 0.02 0.00 0.00 177.57 178.46 2pnk h LYS 205 N 0.82 0.88 -0.50 1.57 1.57 -1.11 -1.75 116.57 118.06 2pnk h LYS 205 Ca 0.11 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 2pnk h LYS 205 Cb 0.79 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2pnk h LYS 205 CO 0.07 0.76 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.48 2pnk h ARG 206 N 0.86 0.98 -0.20 3.15 2.43 -1.08 0.04 114.38 120.57 2pnk h ARG 206 Ca 0.19 -0.38 0.03 0.00 -0.81 0.00 0.00 59.98 59.01 2pnk h ARG 206 Cb 0.25 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2pnk h ARG 206 CO -0.01 1.06 0.02 0.35 -1.51 0.00 0.00 179.97 179.87 2pnk h PHE 207 N 0.84 0.02 -0.37 2.20 3.57 -0.92 0.18 116.94 122.46 2pnk h PHE 207 Ca 0.12 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2pnk h PHE 207 Cb 0.71 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 2pnk h PHE 207 CO 0.05 -0.01 0.23 -0.07 -2.23 0.00 0.00 178.31 176.28 2pnk h LEU 208 N 0.08 0.44 -1.03 0.59 3.38 -1.15 -2.06 115.31 115.56 2pnk h LEU 208 Ca 0.09 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2pnk h LEU 208 Cb 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2pnk h LEU 208 CO -0.14 0.35 0.04 0.74 0.09 0.00 0.00 178.44 179.52 2pnk h THR 209 N 0.49 1.23 -0.31 0.22 2.02 -0.70 0.02 112.91 115.88 2pnk h THR 209 Ca 0.13 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 2pnk h THR 209 Cb -0.01 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2pnk h THR 209 CO -0.03 0.32 0.15 0.44 0.37 0.00 0.00 175.52 176.77 2pnk h ASP 210 N 0.70 0.40 0.29 4.18 3.32 -0.38 -1.19 116.42 123.73 2pnk h ASP 210 Ca 0.15 -0.12 -0.16 0.00 0.02 0.00 0.00 57.03 56.92 2pnk h ASP 210 Cb 0.37 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2pnk h ASP 210 CO 0.01 0.40 -0.64 -0.50 -1.72 0.00 0.00 179.24 176.80 2pnk h TRP 211 N 0.37 0.43 -0.18 4.55 4.06 -1.07 -1.75 115.95 122.35 2pnk h TRP 211 Ca 0.11 -0.17 0.02 0.00 2.06 0.00 0.00 58.89 60.90 2pnk h TRP 211 Cb 0.11 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.17 2pnk h TRP 211 CO -0.02 0.88 0.05 0.82 -3.56 0.00 0.00 178.44 176.60 2pnk h ILE 212 N 0.24 0.93 -0.74 1.49 2.04 -0.87 -2.92 117.51 117.69 2pnk h ILE 212 Ca -0.01 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2pnk h ILE 212 Cb 1.17 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2pnk h ILE 212 CO 0.10 0.02 0.29 -0.33 0.00 0.00 0.00 178.15 178.24 2pnk h GLU 213 N 0.12 1.11 0.00 2.37 5.08 -1.02 0.15 114.58 122.40 2pnk h GLU 213 Ca 0.08 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2pnk h GLU 213 Cb 0.07 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2pnk h GLU 213 CO -0.10 0.91 0.00 -2.13 -1.00 0.00 0.00 179.01 176.70 2pnk n ARG 214 N -4.33 0.56 0.00 2.33 3.00 -0.68 -5.02 116.66 112.53 2pnk n ARG 214 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 2pnk n ARG 214 Cb 0.18 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.54 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 -0.61 0.00 -4.77 6.15 2.03 0.54 -5.10 116.55 114.79 2pnk n ASP 216 Ca 0.03 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.95 2pnk n ASP 216 Cb 0.01 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.39 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 4.07 0.36 -0.67 0.04 -1.26 -4.62 135.00 132.91 2pnk s PRO 217 Ca 0.00 1.88 0.19 0.00 0.04 0.00 0.00 61.00 63.11 2pnk s PRO 217 Cb 0.00 -2.71 0.48 0.00 0.04 0.00 0.00 34.50 32.31 2pnk s PRO 217 CO 0.00 -0.32 1.63 -0.39 0.04 0.00 0.00 177.00 177.96 2pnk h VAL 218 N 2.37 0.75 0.00 -0.36 -1.51 -1.29 -3.48 116.25 112.72 2pnk h VAL 218 Ca -0.49 -1.68 0.00 0.00 -1.23 0.00 0.00 66.70 63.30 2pnk h VAL 218 Cb 1.23 2.10 0.00 0.00 -2.13 0.00 0.00 31.29 32.49 2pnk h VAL 218 CO 0.63 0.36 0.00 0.00 -1.23 0.00 0.00 177.57 177.33 2pnk n TYR 219 N -3.34 0.00 0.00 5.19 0.18 -1.26 -4.32 117.16 113.61 2pnk n TYR 219 Ca 0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.79 2pnk n TYR 219 Cb 0.58 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.54 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 -3.16 -3.48 0.00 0.16 -1.73 120.51 109.31 2pnk n ALA 221 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2pnk n ALA 221 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.62 0.02 -0.07 0.00 0.11 -0.27 -0.66 120.40 117.91 2pnk s VAL 222 Ca 0.00 -0.20 -0.12 0.00 -2.93 0.00 0.00 61.98 58.73 2pnk s VAL 222 Cb 0.00 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 2pnk s VAL 222 CO 0.00 -0.11 0.29 -0.44 -3.33 0.00 0.00 175.10 171.51 2pnk s SER 223 N -0.39 6.60 0.10 3.54 0.01 -1.26 -4.77 113.70 117.52 2pnk s SER 223 Ca -0.05 0.71 0.04 0.00 1.31 0.00 0.00 55.95 57.96 2pnk s SER 223 Cb -0.03 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2pnk s SER 223 CO 0.01 0.31 -0.12 -0.76 0.41 0.00 0.00 173.24 173.10 2pnk s LEU 224 N -0.78 2.38 0.76 2.44 1.43 -1.26 -4.94 118.68 118.71 2pnk s LEU 224 Ca 0.19 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 2pnk s LEU 224 Cb -0.14 -0.40 0.04 0.00 0.03 0.00 0.00 46.19 45.72 2pnk s LEU 224 CO 0.08 -0.20 1.12 -2.16 0.23 0.00 0.00 176.35 175.42 2pnk s PRO 225 N -2.52 2.44 0.58 1.29 0.04 -1.25 -0.17 135.00 135.41 2pnk s PRO 225 Ca 0.04 0.41 0.28 0.00 0.04 0.00 0.00 61.00 61.77 2pnk s PRO 225 Cb -0.05 -1.98 1.66 0.00 0.04 0.00 0.00 34.50 34.17 2pnk s PRO 225 CO 0.01 -1.32 2.13 -1.35 0.04 0.00 0.00 177.00 176.52 2pnk h PRO 226 N -0.86 0.00 -0.35 0.56 0.11 -1.76 -1.46 132.00 128.24 2pnk h PRO 226 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pnk h PRO 226 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2pnk h PRO 226 CO 0.63 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.67 2pnk n THR 227 N -3.89 0.46 -1.66 -1.15 -2.24 -1.26 -4.07 114.28 100.46 2pnk n THR 227 Ca 0.01 -0.41 -0.46 0.00 -2.27 0.00 0.00 64.05 60.92 2pnk n THR 227 Cb 0.27 0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.35 2.18 -4.05 4.78 7.35 -0.55 -4.99 117.46 122.53 2pnk n PHE 228 Ca 0.10 0.37 -0.12 0.00 -0.76 0.00 0.00 57.45 57.03 2pnk n PHE 228 Cb 0.28 -2.49 -0.11 0.00 0.35 0.00 0.00 39.48 37.51 2pnk n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2pnk s SER 229 N 0.60 0.74 -0.24 -2.13 0.01 -1.26 -4.72 113.70 106.70 2pnk s SER 229 Ca 0.74 -0.56 -0.15 0.00 1.31 0.00 0.00 55.95 57.29 2pnk s SER 229 Cb -0.68 0.05 0.07 0.00 0.21 0.00 0.00 66.02 65.67 2pnk s SER 229 CO 0.44 -0.24 0.59 0.12 0.41 0.00 0.00 173.24 174.57 2pnk s PHE 230 N -1.49 -0.84 0.85 2.43 2.19 -1.26 -4.43 117.98 115.42 2pnk s PHE 230 Ca -0.10 1.78 -0.11 0.00 0.33 0.00 0.00 56.93 58.83 2pnk s PHE 230 Cb -0.09 0.44 0.11 0.00 -1.31 0.00 0.00 43.02 42.16 2pnk s PHE 230 CO -0.00 -0.43 1.13 -2.14 1.83 0.00 0.00 175.22 175.61 2pnk s PRO 231 N 1.26 1.53 -0.25 10.12 0.02 -1.26 -4.09 135.00 142.32 2pnk s PRO 231 Ca -0.07 1.43 -0.21 0.00 0.02 0.00 0.00 61.00 62.17 2pnk s PRO 231 Cb -0.06 -1.80 0.07 0.00 0.02 0.00 0.00 34.50 32.74 2pnk s PRO 231 CO -0.13 -2.23 0.66 -2.00 -0.33 0.00 0.00 177.00 172.98 2pnk s GLU 232 N -4.68 0.75 -0.87 5.54 2.12 -1.26 -5.08 118.70 115.21 2pnk s GLU 232 Ca 0.65 0.99 -0.19 0.00 0.36 0.00 0.00 54.97 56.79 2pnk s GLU 232 Cb -0.21 0.31 0.12 0.00 0.26 0.00 0.00 34.13 34.61 2pnk s GLU 232 CO 0.56 -0.11 1.07 -1.21 -0.54 0.00 0.00 175.26 175.03 2pnk s GLU 233 N 0.70 3.50 0.22 4.30 0.41 -1.26 -3.95 118.70 122.62 2pnk s GLU 233 Ca -0.03 -1.64 -0.21 0.00 -0.41 0.00 0.00 54.97 52.69 2pnk s GLU 233 Cb -0.05 -4.77 0.04 0.00 -1.78 0.00 0.00 34.13 27.57 2pnk s GLU 233 CO -0.05 -1.75 0.64 -1.54 -0.49 0.00 0.00 175.26 172.07 2pnk s SER 234 N 3.59 -0.36 0.19 -0.19 1.04 -1.26 -4.98 113.70 111.73 2pnk s SER 234 Ca 0.30 -0.40 -0.14 0.00 0.48 0.00 0.00 55.95 56.19 2pnk s SER 234 Cb -0.08 0.65 0.19 0.00 0.10 0.00 0.00 66.02 66.89 2pnk s SER 234 CO -0.06 -1.16 1.67 0.78 0.98 0.00 0.00 173.24 175.45 2pnk h ASN 235 N 2.05 -0.30 0.30 7.02 2.35 -1.90 -0.84 115.58 124.26 2pnk h ASN 235 Ca -0.26 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2pnk h ASN 235 Cb 1.27 0.25 -0.00 0.00 0.05 0.00 0.00 38.32 39.89 2pnk h ASN 235 CO 0.31 -0.11 -0.17 -0.09 -1.65 0.00 0.00 177.43 175.73 2pnk h ARG 236 N 0.08 -0.42 -0.82 0.81 2.43 -1.91 -0.98 114.38 113.57 2pnk h ARG 236 Ca 0.26 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 2pnk h ARG 236 Cb 0.39 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 2pnk h ARG 236 CO -0.46 -0.28 0.54 0.78 -1.51 0.00 0.00 179.97 179.04 2pnk h GLY 237 N -0.44 1.16 1.46 2.80 0.00 -1.65 -1.68 103.07 104.71 2pnk h GLY 237 Ca -0.04 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 46.67 2pnk h GLY 237 CO 0.05 0.43 -0.72 3.21 0.00 0.00 0.00 176.54 179.50 2pnk h ARG 238 N 1.11 0.53 -0.27 4.80 3.08 -0.97 -2.50 114.38 120.16 2pnk h ARG 238 Ca 0.30 -0.42 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 2pnk h ARG 238 Cb -0.12 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2pnk h ARG 238 CO -0.06 1.05 0.00 0.82 -1.07 0.00 0.00 179.97 180.71 2pnk h ILE 239 N 0.37 1.25 -0.08 2.04 2.04 -0.72 -0.16 117.51 122.26 2pnk h ILE 239 Ca -0.03 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 64.94 2pnk h ILE 239 Cb 1.31 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 2pnk h ILE 239 CO 0.13 0.29 -0.06 0.40 0.00 0.00 0.00 178.15 178.91 2pnk h ILE 240 N 0.26 0.82 -0.04 -0.67 2.04 -1.39 0.15 117.51 118.68 2pnk h ILE 240 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2pnk h ILE 240 Cb 0.42 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2pnk h ILE 240 CO 0.01 0.00 -0.01 -0.09 0.00 0.00 0.00 178.15 178.07 2pnk h ARG 241 N -0.07 0.07 0.00 2.37 2.43 -1.35 -1.06 114.38 116.77 2pnk h ARG 241 Ca 0.05 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2pnk h ARG 241 Cb 0.14 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2pnk h ARG 241 CO -0.12 0.41 -1.27 -0.25 -1.51 0.00 0.00 179.97 177.23 2pnk n ASP 242 N -4.86 0.70 0.03 -3.80 8.00 -0.08 -4.53 116.55 112.01 2pnk n ASP 242 Ca -0.07 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2pnk n ASP 242 Cb 0.21 0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 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 0.14 -0.24 0.00 6.46 -0.79 -2.56 115.31 118.32 2pnk h LEU 244 Ca 0.00 -0.67 -0.02 0.00 -0.12 0.00 0.00 57.88 57.07 2pnk h LEU 244 Cb 0.39 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 2pnk h LEU 244 CO 0.00 0.79 0.08 -0.07 -0.62 0.00 0.00 178.44 178.62 2pnk h LEU 245 N -0.50 0.35 -0.68 2.25 3.38 -1.43 -0.08 115.31 118.61 2pnk h LEU 245 Ca -0.01 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.78 2pnk h LEU 245 Cb 0.79 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2pnk h LEU 245 CO 0.02 0.46 0.43 -0.65 0.09 0.00 0.00 178.44 178.80 2pnk h PRO 246 N 0.23 0.82 -0.65 1.13 0.11 -1.80 -0.79 132.00 131.06 2pnk h PRO 246 Ca 0.08 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 2pnk h PRO 246 Cb 0.23 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 2pnk h PRO 246 CO -0.00 0.54 0.34 0.28 -0.21 0.00 0.00 178.00 178.95 2pnk h VAL 247 N 0.85 1.21 -0.69 3.15 2.07 -1.23 -1.61 116.25 119.99 2pnk h VAL 247 Ca 0.27 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 2pnk h VAL 247 Cb -0.00 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2pnk h VAL 247 CO -0.10 0.23 0.24 0.00 0.02 0.00 0.00 177.57 177.97 2pnk h ALA 248 N 1.16 0.91 -0.27 1.67 0.00 -0.76 -1.02 119.26 120.95 2pnk h ALA 248 Ca 0.23 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2pnk h ALA 248 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2pnk h ALA 248 CO -0.03 0.56 -0.01 1.49 0.00 0.00 0.00 179.25 181.26 2pnk h GLU 249 N 1.01 0.49 -0.55 0.00 4.81 -1.01 0.19 114.58 119.52 2pnk h GLU 249 Ca 0.23 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2pnk h GLU 249 Cb 0.26 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2pnk h GLU 249 CO -0.01 0.66 0.33 -0.22 -0.73 0.00 0.00 179.01 179.04 2pnk h LYS 250 N 0.27 0.64 -0.07 1.92 3.64 -1.05 -2.32 116.57 119.61 2pnk h LYS 250 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2pnk h LYS 250 Cb 0.45 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2pnk h LYS 250 CO 0.02 0.42 0.00 0.72 -2.27 0.00 0.00 179.45 178.34 2pnk n HIS 251 N -4.77 0.07 -3.81 1.91 8.25 -0.41 -4.95 115.22 111.51 2pnk n HIS 251 Ca 0.04 -0.03 -0.24 0.00 -0.26 0.00 0.00 57.72 57.23 2pnk n HIS 251 Cb 0.07 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.19 2pnk n HIS 251 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2pnk n ASN 252 N 0.57 -1.18 -4.42 0.41 5.15 0.49 -5.00 115.26 111.28 2pnk n ASN 252 Ca 0.17 -0.92 -0.34 0.00 -0.60 0.00 0.00 54.58 52.90 2pnk n ASN 252 Cb 0.43 -3.55 -0.13 0.00 -0.53 0.00 0.00 39.78 35.99 2pnk n ASN 252 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2pnk s ILE 253 N -3.78 3.51 0.75 -1.44 1.01 -0.20 -4.90 121.20 116.15 2pnk s ILE 253 Ca 0.05 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 2pnk s ILE 253 Cb -0.02 -2.53 0.05 0.00 0.01 0.00 0.00 42.46 39.97 2pnk s ILE 253 CO 0.85 0.49 1.14 -2.84 0.00 0.00 0.00 174.94 174.58 2pnk s PRO 254 N 0.52 2.20 -0.24 2.79 0.02 -1.26 -4.61 135.00 134.41 2pnk s PRO 254 Ca -0.05 1.47 -0.05 0.00 0.02 0.00 0.00 61.00 62.39 2pnk s PRO 254 Cb -0.15 -1.87 -0.00 0.00 0.02 0.00 0.00 34.50 32.50 2pnk s PRO 254 CO 0.03 -1.73 -0.00 0.12 -0.33 0.00 0.00 177.00 175.09 2pnk s PHE 255 N -2.41 3.03 0.40 6.54 5.36 -0.03 -4.55 117.98 126.31 2pnk s PHE 255 Ca 0.68 -0.94 0.04 0.00 -0.96 0.00 0.00 56.93 55.75 2pnk s PHE 255 Cb -0.23 -2.15 -0.00 0.00 -0.34 0.00 0.00 43.02 40.30 2pnk s PHE 255 CO 0.48 -0.55 0.58 0.00 -1.46 0.00 0.00 175.22 174.28 2pnk s ALA 256 N 1.49 4.01 -0.30 11.12 0.00 -1.26 -1.39 121.76 135.43 2pnk s ALA 256 Ca 0.05 -1.28 -0.19 0.00 0.00 0.00 0.00 51.96 50.54 2pnk s ALA 256 Cb -0.15 -1.91 0.19 0.00 0.00 0.00 0.00 23.12 21.26 2pnk s ALA 256 CO -0.01 -0.24 1.26 0.42 0.00 0.00 0.00 175.76 177.19 2pnk s ILE 259 N -2.38 0.00 0.00 0.00 1.01 -0.58 -1.11 121.20 118.14 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 0.35 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2pnk n GLY 260 N 2.74 0.82 3.72 6.18 0.00 0.76 -0.74 105.19 118.67 2pnk n GLY 260 Ca -0.15 0.00 -0.39 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 -1.53 5.10 -0.45 1.61 0.11 -0.94 -1.29 120.40 123.00 2pnk s VAL 261 Ca 0.00 1.20 -0.12 0.00 -2.93 0.00 0.00 61.98 60.13 2pnk s VAL 261 Cb 0.00 -3.93 0.08 0.00 -1.53 0.00 0.00 36.38 31.00 2pnk s VAL 261 CO 0.00 0.30 0.34 -0.75 -3.33 0.00 0.00 175.10 171.66 2pnk s LYS 262 N 0.64 2.78 0.21 1.54 2.20 0.25 -3.93 119.74 123.42 2pnk s LYS 262 Ca 0.32 -1.46 -0.30 0.00 -0.36 0.00 0.00 55.97 54.17 2pnk s LYS 262 Cb -0.17 -3.97 -0.08 0.00 -1.51 0.00 0.00 37.83 32.10 2pnk s LYS 262 CO 0.14 -1.03 1.13 0.15 -0.36 0.00 0.00 175.35 175.38 2pnk s LYS 263 N 1.52 4.58 -1.03 4.03 -0.14 -1.26 -0.46 119.74 126.98 2pnk s LYS 263 Ca 0.04 1.79 -0.04 0.00 -1.36 0.00 0.00 55.97 56.39 2pnk s LYS 263 Cb -0.24 -3.24 0.00 0.00 -1.68 0.00 0.00 37.83 32.67 2pnk s LYS 263 CO 0.04 0.07 0.89 0.54 -0.76 0.00 0.00 175.35 176.13 2pnk n ARG 264 N 2.04 -5.92 0.21 1.68 1.74 -1.25 -4.91 116.66 110.25 2pnk n ARG 264 Ca 0.02 0.67 0.09 0.00 -0.77 0.00 0.00 57.85 57.86 2pnk n ARG 264 Cb 0.45 -5.22 0.37 0.00 -1.02 0.00 0.00 32.46 27.05 2pnk n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 2pnk h VAL 265 N -1.88 0.58 -2.59 1.55 -1.51 -1.09 -3.34 116.25 107.97 2pnk h VAL 265 Ca -0.47 -1.31 -0.60 0.00 -1.23 0.00 0.00 66.70 63.10 2pnk h VAL 265 Cb 1.29 1.89 -0.39 0.00 -2.13 0.00 0.00 31.29 31.94 2pnk h VAL 265 CO 0.43 0.26 -0.84 1.57 -1.23 0.00 0.00 177.57 177.76 2pnk n HIS 266 N -3.35 0.56 -0.23 5.19 -0.00 -0.94 -5.03 115.22 111.42 2pnk n HIS 266 Ca 0.01 -3.66 0.17 0.00 -0.00 0.00 0.00 57.72 54.23 2pnk n HIS 266 Cb 0.49 -0.06 0.49 0.00 -0.00 0.00 0.00 29.99 30.90 2pnk n HIS 266 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2pnk h PRO 267 N 5.47 0.44 -0.75 1.57 0.11 -1.83 -1.51 132.00 135.50 2pnk h PRO 267 Ca 0.22 -0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.50 2pnk h PRO 267 Cb 0.85 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.82 2pnk h PRO 267 CO 0.50 0.29 0.52 0.00 -0.21 0.00 0.00 178.00 179.10 2pnk h ALA 268 N 1.62 2.46 0.00 -0.75 0.00 -1.96 -1.31 119.26 119.32 2pnk h ALA 268 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2pnk h ALA 268 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2pnk h ALA 268 CO -0.17 -0.68 0.00 1.28 0.00 0.00 0.00 179.25 179.68 2pnk n LEU 269 N -4.39 0.00 0.00 0.00 4.77 -0.57 -4.97 117.00 111.84 2pnk n LEU 269 Ca 0.15 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2pnk n LEU 269 Cb 0.71 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2pnk n LEU 269 CO 0.35 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2pnk n GLY 270 N 0.92 3.12 0.35 -0.72 0.00 -0.50 -2.15 105.19 106.22 2pnk n GLY 270 Ca 0.15 -0.23 0.17 0.00 0.00 0.00 0.00 46.02 46.11 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 2.45 0.00 -0.38 1.61 3.32 -1.94 0.17 116.42 121.64 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 -2.09 2.53 0.39 3.45 0.00 -0.91 -4.31 120.51 119.56 2pnk n ALA 272 Ca 0.01 -0.73 0.12 0.00 0.00 0.00 0.00 53.44 52.85 2pnk n ALA 272 Cb 0.44 -0.98 0.20 0.00 0.00 0.00 0.00 19.45 19.12 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 1.04 1.66 3.89 0.00 0.00 0.05 -4.88 105.19 106.95 2pnk n GLY 273 Ca 0.13 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.56 6.54 0.15 1.61 1.01 -1.26 -0.71 116.67 122.45 2pnk s ASP 274 Ca 0.38 0.72 0.01 0.00 0.71 0.00 0.00 52.55 54.36 2pnk s ASP 274 Cb 0.23 -2.14 -0.00 0.00 1.01 0.00 0.00 42.92 42.01 2pnk s ASP 274 CO 0.32 -0.01 0.02 0.33 0.21 0.00 0.00 175.17 176.04 2pnk n PHE 275 N -0.05 0.22 -4.19 4.23 7.35 0.40 -4.91 117.46 120.52 2pnk n PHE 275 Ca -0.01 -0.80 -0.15 0.00 -0.76 0.00 0.00 57.45 55.72 2pnk n PHE 275 Cb 0.52 -0.06 -0.11 0.00 0.35 0.00 0.00 39.48 40.18 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 -1.77 1.01 0.06 -2.13 0.11 -1.26 -0.59 120.40 115.83 2pnk s VAL 276 Ca 0.03 -1.64 -0.19 0.00 -2.93 0.00 0.00 61.98 57.25 2pnk s VAL 276 Cb 0.00 -1.37 0.04 0.00 -1.53 0.00 0.00 36.38 33.52 2pnk s VAL 276 CO 0.02 -0.52 0.45 -0.83 -3.33 0.00 0.00 175.10 170.89 2pnk s GLY 277 N -2.41 -0.33 0.14 6.54 0.00 -0.41 -4.81 107.32 106.04 2pnk s GLY 277 Ca 0.06 0.36 -0.30 0.00 0.00 0.00 0.00 44.72 44.83 2pnk s GLY 277 CO 0.01 0.08 1.26 1.25 0.00 0.00 0.00 173.10 175.70 2pnk s LYS 278 N -2.66 4.42 0.21 2.90 2.20 -1.26 -4.51 119.74 121.04 2pnk s LYS 278 Ca -0.04 1.92 0.01 0.00 -0.36 0.00 0.00 55.97 57.50 2pnk s LYS 278 Cb -0.00 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 2pnk s LYS 278 CO -0.04 -0.23 0.38 0.00 -0.36 0.00 0.00 175.35 175.10 2pnk s ALA 279 N 0.49 3.86 1.00 3.13 0.00 -1.26 -4.80 121.76 124.19 2pnk s ALA 279 Ca 0.57 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2pnk s ALA 279 Cb -0.33 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 20.86 2pnk s ALA 279 CO 0.34 0.39 0.00 0.45 0.00 0.00 0.00 175.76 176.94 2pnk n SER 280 N -0.83 0.00 0.00 0.00 2.88 -1.26 -4.97 113.62 109.45 2pnk n SER 280 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2pnk n SER 280 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2pnk n SER 280 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2pnk n ASP 282 N 0.00 0.00 -0.25 -3.46 8.00 -1.26 -4.73 116.55 114.85 2pnk n ASP 282 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 2pnk n ASP 282 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 2pnk n ASP 282 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2pnk h GLY 283 N 0.00 1.08 0.88 0.44 0.00 -1.85 -0.35 103.07 103.27 2pnk h GLY 283 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 2pnk h GLY 283 CO 0.00 0.52 -0.01 -2.08 0.00 0.00 0.00 176.54 174.97 2pnk h VAL 284 N 0.97 1.26 -0.28 4.60 2.07 -1.86 -2.27 116.25 120.75 2pnk h VAL 284 Ca 0.24 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.82 2pnk h VAL 284 Cb 0.14 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2pnk h VAL 284 CO -0.03 0.31 0.07 -0.08 0.02 0.00 0.00 177.57 177.87 2pnk h GLU 285 N 0.30 0.18 -0.36 1.57 4.81 -1.89 -1.51 114.58 117.69 2pnk h GLU 285 Ca 0.08 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2pnk h GLU 285 Cb 0.46 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2pnk h GLU 285 CO 0.02 0.12 0.22 1.25 -0.73 0.00 0.00 179.01 179.89 2pnk h HIS 286 N 0.19 0.42 -0.29 0.92 2.76 -1.03 -1.30 115.15 116.82 2pnk h HIS 286 Ca 0.13 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 2pnk h HIS 286 Cb 0.11 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 2pnk h HIS 286 CO -0.15 0.25 0.19 -0.07 -1.30 0.00 0.00 177.93 176.85 2pnk h LEU 287 N 0.45 0.32 -0.18 0.26 3.38 -1.22 -0.02 115.31 118.30 2pnk h LEU 287 Ca 0.14 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2pnk h LEU 287 Cb -0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2pnk h LEU 287 CO -0.05 0.23 0.09 -0.07 0.09 0.00 0.00 178.44 178.73 2pnk h LEU 288 N 0.38 0.23 -0.14 1.67 3.38 -1.05 -1.15 115.31 118.64 2pnk h LEU 288 Ca 0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2pnk h LEU 288 Cb -0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2pnk h LEU 288 CO -0.03 0.27 -0.04 -0.09 0.09 0.00 0.00 178.44 178.64 2pnk h ARG 289 N 0.18 0.27 0.00 1.13 2.43 -1.12 -3.29 114.38 113.97 2pnk h ARG 289 Ca 0.06 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2pnk h ARG 289 Cb 0.09 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2pnk h ARG 289 CO -0.01 0.57 -0.34 0.39 -1.51 0.00 0.00 179.97 179.08 2pnk n GLU 290 N -4.70 0.21 -3.28 0.20 -0.58 -0.03 -4.14 120.64 108.32 2pnk n GLU 290 Ca -0.06 0.10 -0.26 0.00 -0.42 0.00 0.00 57.16 56.52 2pnk n GLU 290 Cb 0.26 -1.68 -0.07 0.00 -0.57 0.00 0.00 31.44 29.39 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 -2.00 3.18 0.53 -0.32 4.02 -0.44 -4.92 117.16 117.20 2pnk n TYR 291 Ca 0.05 -4.05 0.10 0.00 -0.01 0.00 0.00 57.90 53.99 2pnk n TYR 291 Cb 0.41 -0.52 0.43 0.00 -0.02 0.00 0.00 39.34 39.64 2pnk n TYR 291 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2pnk n PRO 292 N 0.65 0.11 -0.20 -0.72 -0.04 -1.25 -1.58 135.00 131.97 2pnk n PRO 292 Ca 0.29 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 64.15 2pnk n PRO 292 Cb 0.43 -1.68 0.26 0.00 -0.04 0.00 0.00 33.50 32.46 2pnk n PRO 292 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2pnk n ASN 293 N -1.87 3.14 -4.79 3.54 3.02 -1.26 -4.90 115.26 112.13 2pnk n ASN 293 Ca 0.04 -1.95 -0.29 0.00 -0.03 0.00 0.00 54.58 52.35 2pnk n ASN 293 Cb 0.24 -0.26 -0.06 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.40 5.56 -0.12 6.41 -0.87 -0.61 -4.76 114.94 119.15 2pnk s ASN 294 Ca 0.38 -0.04 -0.02 0.00 -1.57 0.00 0.00 52.86 51.62 2pnk s ASN 294 Cb 0.22 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.25 39.93 2pnk s ASN 294 CO 0.30 0.13 -0.06 -0.54 -2.57 0.00 0.00 177.10 174.37 2pnk s LYS 295 N -2.66 3.27 -0.08 -0.60 1.02 -1.26 -4.85 119.74 114.59 2pnk s LYS 295 Ca 0.30 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.78 2pnk s LYS 295 Cb -0.11 -2.76 0.01 0.00 -0.52 0.00 0.00 37.83 34.45 2pnk s LYS 295 CO 0.23 0.42 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.84 2pnk s PHE 296 N -0.14 1.92 -0.18 3.18 0.40 0.20 -0.85 117.98 122.51 2pnk s PHE 296 Ca 0.02 -0.75 -0.06 0.00 -0.60 0.00 0.00 56.93 55.54 2pnk s PHE 296 Cb -0.13 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 2pnk s PHE 296 CO 0.03 -0.33 0.03 -0.51 0.70 0.00 0.00 175.22 175.13 2pnk s LEU 297 N 0.51 3.58 -0.03 -0.37 1.43 -0.49 -4.21 118.68 119.11 2pnk s LEU 297 Ca -0.16 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2pnk s LEU 297 Cb -0.17 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.16 2pnk s LEU 297 CO 0.06 0.15 -0.07 -0.69 0.23 0.00 0.00 176.35 176.03 2pnk s VAL 298 N 0.47 0.64 0.29 -1.59 1.01 -1.26 -4.08 120.40 115.89 2pnk s VAL 298 Ca 0.01 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2pnk s VAL 298 Cb -0.13 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 2pnk s VAL 298 CO 0.01 0.21 0.16 1.07 0.00 0.00 0.00 175.10 176.56 2pnk n THR 299 N 3.41 0.00 0.00 3.92 5.66 -1.26 -2.24 114.28 123.77 2pnk n THR 299 Ca -0.19 -1.85 0.00 0.00 -3.05 0.00 0.00 64.05 58.96 2pnk n THR 299 Cb 0.54 0.79 0.00 0.00 -1.55 0.00 0.00 70.33 70.11 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 -4.76 1.09 7.94 0.08 -1.52 117.00 119.83 2pnk n LEU 301 Ca 0.00 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.51 2pnk n LEU 301 Cb 0.47 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.36 2pnk n LEU 301 CO 0.24 0.00 0.39 -0.55 -1.11 0.00 0.00 177.39 176.36 2pnk s SER 302 N -0.55 7.14 0.35 1.96 0.15 -1.26 -4.76 113.70 116.73 2pnk s SER 302 Ca 0.00 1.35 0.08 0.00 0.70 0.00 0.00 55.95 58.08 2pnk s SER 302 Cb 0.00 -2.42 0.79 0.00 -1.71 0.00 0.00 66.02 62.67 2pnk s SER 302 CO 0.00 0.10 1.89 -0.09 1.20 0.00 0.00 173.24 176.34 2pnk h ARG 303 N 5.34 0.70 0.00 5.44 2.43 -1.96 -2.58 114.38 123.75 2pnk h ARG 303 Ca -0.45 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2pnk h ARG 303 Cb 1.20 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2pnk h ARG 303 CO 0.69 0.46 0.00 0.39 -1.51 0.00 0.00 179.97 180.00 2pnk n GLU 304 N -4.54 0.23 0.01 0.20 4.71 -1.26 -2.26 120.64 117.74 2pnk n GLU 304 Ca 0.16 0.09 0.11 0.00 -0.01 0.00 0.00 57.16 57.51 2pnk n GLU 304 Cb 0.41 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.36 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 -1.34 0.66 -0.15 1.62 5.03 -0.97 -4.69 115.26 115.43 2pnk n ASN 305 Ca 0.09 -0.42 -0.10 0.00 0.87 0.00 0.00 54.58 55.02 2pnk n ASN 305 Cb 0.19 0.80 -0.01 0.00 -1.02 0.00 0.00 39.78 39.75 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 0.00 0.72 -0.23 3.52 1.08 -1.55 -1.80 115.11 116.84 2pnk h GLN 306 Ca 0.00 -0.20 -0.06 0.00 -1.45 0.00 0.00 58.65 56.94 2pnk h GLN 306 Cb 0.64 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 2pnk h GLN 306 CO 0.00 0.76 -0.08 1.25 -0.95 0.00 0.00 178.83 179.80 2pnk h HIS 307 N 0.57 0.54 -0.09 2.96 2.76 -1.83 -2.30 115.15 117.75 2pnk h HIS 307 Ca 0.13 -0.12 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 2pnk h HIS 307 Cb 0.40 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 2pnk h HIS 307 CO 0.03 0.72 -0.17 1.05 -1.30 0.00 0.00 177.93 178.26 2pnk h GLU 308 N 0.20 0.14 -0.47 5.26 4.11 -1.84 -1.49 114.58 120.48 2pnk h GLU 308 Ca 0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 2pnk h GLU 308 Cb 0.57 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2pnk h GLU 308 CO 0.03 0.31 0.27 1.25 0.07 0.00 0.00 179.01 180.94 2pnk h LEU 309 N 0.14 0.58 -0.40 3.06 5.85 -1.19 -0.04 115.31 123.31 2pnk h LEU 309 Ca 0.03 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.70 2pnk h LEU 309 Cb 0.38 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2pnk h LEU 309 CO 0.02 0.49 0.21 0.58 -0.34 0.00 0.00 178.44 179.40 2pnk h VAL 310 N 0.63 1.00 -0.93 1.05 2.07 -0.81 -1.02 116.25 118.23 2pnk h VAL 310 Ca 0.17 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2pnk h VAL 310 Cb 0.03 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 2pnk h VAL 310 CO -0.03 0.08 0.61 0.58 0.02 0.00 0.00 177.57 178.83 2pnk h VAL 311 N 0.42 1.24 -0.65 2.57 2.07 -0.96 -1.85 116.25 119.09 2pnk h VAL 311 Ca 0.17 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2pnk h VAL 311 Cb 0.06 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.67 2pnk h VAL 311 CO -0.10 0.23 0.31 0.25 0.02 0.00 0.00 177.57 178.28 2pnk h LEU 312 N 1.26 0.84 -1.33 2.57 5.85 -0.31 -1.23 115.31 122.95 2pnk h LEU 312 Ca 0.34 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2pnk h LEU 312 Cb -0.14 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.65 2pnk h LEU 312 CO -0.07 0.71 0.28 0.00 -0.34 0.00 0.00 178.44 179.02 2pnk h ALA 313 N 1.42 1.49 -0.03 1.25 0.00 -0.39 -1.30 119.26 121.69 2pnk h ALA 313 Ca 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2pnk h ALA 313 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2pnk h ALA 313 CO -0.03 0.42 -0.13 0.00 0.00 0.00 0.00 179.25 179.51 2pnk h ARG 314 N 0.74 0.05 0.01 0.00 3.08 -0.81 -3.08 114.38 114.37 2pnk h ARG 314 Ca 0.19 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 60.02 2pnk h ARG 314 Cb 0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2pnk h ARG 314 CO -0.03 0.18 -1.02 0.87 -1.07 0.00 0.00 179.97 178.90 2pnk h LYS 315 N 0.05 0.01 -3.72 0.04 1.79 -0.92 -3.45 116.57 110.37 2pnk h LYS 315 Ca 0.01 -0.02 -0.49 0.00 -2.18 0.00 0.00 60.65 57.97 2pnk h LYS 315 Cb 0.26 0.01 -0.39 0.00 -1.58 0.00 0.00 32.23 30.53 2pnk h LYS 315 CO 0.02 1.00 -0.77 -0.06 -1.08 0.00 0.00 179.45 178.56 2pnk s PHE 316 N -2.71 0.99 -0.52 -1.35 0.08 -0.93 -5.00 117.98 108.54 2pnk s PHE 316 Ca 0.01 -0.61 0.24 0.00 0.12 0.00 0.00 56.93 56.69 2pnk s PHE 316 Cb 0.10 -0.98 0.95 0.00 -0.57 0.00 0.00 43.02 42.52 2pnk s PHE 316 CO 0.82 -0.50 1.73 -1.13 -0.10 0.00 0.00 175.22 176.04 2pnk n SER 317 N 5.06 0.70 -0.28 1.36 3.41 -1.26 -2.30 113.62 120.31 2pnk n SER 317 Ca -0.09 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 2pnk n SER 317 Cb 0.48 -0.81 0.57 0.00 -0.26 0.00 0.00 64.21 64.20 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 -2.25 0.85 -3.99 4.04 6.94 -1.26 -5.04 115.26 114.55 2pnk n ASN 318 Ca 0.03 -1.44 -0.14 0.00 -0.02 0.00 0.00 54.58 53.01 2pnk n ASN 318 Cb 0.27 -0.03 0.04 0.00 -2.36 0.00 0.00 39.78 37.70 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 -0.27 0.00 -3.63 -4.53 7.94 -0.97 -0.63 117.00 114.90 2pnk n LEU 319 Ca 0.18 -1.73 -0.15 0.00 -1.11 0.00 0.00 56.01 53.20 2pnk n LEU 319 Cb 0.22 -0.26 -0.08 0.00 0.53 0.00 0.00 43.42 43.83 2pnk n LEU 319 CO 0.14 -0.63 0.28 0.27 -1.11 0.00 0.00 177.39 176.35 2pnk s ILE 321 N -1.48 0.01 -0.02 1.96 -4.36 -1.26 -4.92 121.20 111.12 2pnk s ILE 321 Ca 0.39 -0.10 -0.01 0.00 -0.26 0.00 0.00 60.65 60.67 2pnk s ILE 321 Cb -0.03 -0.84 0.01 0.00 1.25 0.00 0.00 42.46 42.85 2pnk s ILE 321 CO 0.25 -0.06 0.05 0.72 0.24 0.00 0.00 174.94 176.14 2pnk s PHE 322 N -0.61 -0.04 0.02 1.37 -0.71 -0.95 -2.34 117.98 114.72 2pnk s PHE 322 Ca -0.07 0.15 0.00 0.00 -1.04 0.00 0.00 56.93 55.97 2pnk s PHE 322 Cb -0.03 -0.04 0.00 0.00 -1.21 0.00 0.00 43.02 41.74 2pnk s PHE 322 CO 0.05 -0.05 0.00 0.41 -1.34 0.00 0.00 175.22 174.29 2pnk n GLY 323 N 3.38 -1.93 2.82 1.99 0.00 -0.05 -4.42 105.19 106.98 2pnk n GLY 323 Ca -0.17 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 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 0.06 3.35 0.00 0.00 -0.00 -1.26 -3.36 118.94 117.74 2pnk s TRP 325 Ca 0.17 1.48 0.00 0.00 -0.00 0.00 0.00 56.10 57.75 2pnk s TRP 325 Cb -0.25 -3.26 0.00 0.00 -0.00 0.00 0.00 33.47 29.96 2pnk s TRP 325 CO 0.00 -0.46 0.00 1.87 -0.00 0.00 0.00 176.95 178.36 2pnk n TRP 326 N 6.20 0.00 -0.53 5.86 -0.00 -1.26 -4.08 117.44 123.63 2pnk n TRP 326 Ca 0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.56 2pnk n TRP 326 Cb 0.46 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.69 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 -4.04 5.87 3.72 -1.26 -4.64 117.46 117.11 2pnk n PHE 327 Ca 0.00 -0.81 -0.40 0.00 -0.05 0.00 0.00 57.45 56.20 2pnk n PHE 327 Cb 0.00 -0.98 0.00 0.00 -0.94 0.00 0.00 39.48 37.56 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 2.58 -3.11 -3.97 4.37 5.15 -1.21 -5.03 115.26 114.04 2pnk n ASN 329 Ca 0.21 -1.22 -0.18 0.00 -0.60 0.00 0.00 54.58 52.78 2pnk n ASN 329 Cb 0.49 -2.09 -0.15 0.00 -0.53 0.00 0.00 39.78 37.49 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 -3.75 0.92 0.26 1.20 0.01 -1.26 -5.00 114.94 107.32 2pnk s ASN 330 Ca 0.36 -0.14 -0.03 0.00 -0.71 0.00 0.00 52.86 52.34 2pnk s ASN 330 Cb -0.18 -0.21 0.53 0.00 0.41 0.00 0.00 41.25 41.80 2pnk s ASN 330 CO 0.95 0.05 1.66 -0.65 -1.51 0.00 0.00 177.10 177.60 2pnk h PRO 331 N 6.32 0.21 -0.96 -0.60 0.11 -1.98 0.29 132.00 135.39 2pnk h PRO 331 Ca -0.32 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.89 2pnk h PRO 331 Cb 1.17 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 2pnk h PRO 331 CO 0.49 0.14 0.61 1.49 -0.21 0.00 0.00 178.00 180.52 2pnk h GLU 332 N 0.22 0.89 0.13 1.05 4.57 -2.00 -1.93 114.58 117.50 2pnk h GLU 332 Ca 0.46 -0.05 -0.33 0.00 -1.18 0.00 0.00 59.36 58.25 2pnk h GLU 332 Cb 0.84 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2pnk h GLU 332 CO -0.59 0.59 -1.76 0.82 -1.18 0.00 0.00 179.01 176.89 2pnk h ILE 333 N 0.91 0.81 -0.82 2.32 2.04 -1.48 -3.00 117.51 118.29 2pnk h ILE 333 Ca 0.47 -2.38 0.13 0.00 1.00 0.00 0.00 64.86 64.08 2pnk h ILE 333 Cb 0.51 2.59 -0.09 0.00 -0.74 0.00 0.00 36.82 39.09 2pnk h ILE 333 CO -0.23 0.80 0.41 0.40 0.00 0.00 0.00 178.15 179.53 2pnk h ILE 334 N -0.09 0.75 0.14 -0.67 2.04 -0.44 -2.46 117.51 116.77 2pnk h ILE 334 Ca -0.37 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2pnk h ILE 334 Cb 1.94 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2pnk h ILE 334 CO 0.08 0.11 -0.07 -1.13 0.00 0.00 0.00 178.15 177.15 2pnk h ASN 335 N 0.61 -0.15 0.00 1.72 -1.24 -1.44 -0.48 115.58 114.59 2pnk h ASN 335 Ca 0.44 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.32 2pnk h ASN 335 Cb 0.59 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.68 2pnk h ASN 335 CO -0.35 0.03 0.00 -1.84 -1.29 0.00 0.00 177.43 173.98 2pnk n GLU 336 N -5.10 0.29 0.00 6.67 0.28 -0.93 -1.71 120.64 120.15 2pnk n GLU 336 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 2pnk n GLU 336 Cb 0.16 -1.22 0.00 0.00 1.43 0.00 0.00 31.44 31.80 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 0.54 0.00 0.45 3.84 -1.04 -0.19 -4.62 114.28 113.26 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 0.10 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 0.45 -0.32 -2.82 1.74 -0.69 -4.59 116.66 110.42 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 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 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 0.50 -0.39 -0.02 5.56 1.74 -1.26 -5.01 116.66 117.78 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 0.16 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 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 -0.32 -1.06 0.00 5.56 1.02 -1.26 -3.80 120.64 120.78 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 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 -0.02 0.00 0.00 -4.62 4.77 -1.26 -5.15 117.00 110.72 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 4.13 0.97 -0.72 0.00 -1.25 -1.81 105.19 106.51 2pnk n GLY 346 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 1.68 -1.47 2.61 -2.24 -1.26 -4.75 114.28 108.85 2pnk n THR 347 Ca 0.00 -1.37 -0.27 0.00 -2.27 0.00 0.00 64.05 60.14 2pnk n THR 347 Cb 0.00 0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.29 2pnk n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2pnk n SER 348 N 0.30 6.69 -3.83 3.42 3.41 -0.75 -4.74 113.62 118.12 2pnk n SER 348 Ca 0.19 -2.98 -0.08 0.00 -0.26 0.00 0.00 58.87 55.74 2pnk n SER 348 Cb 0.71 -1.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 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 -0.68 0.09 -0.37 7.33 -0.71 -1.26 -4.83 117.98 117.54 2pnk s PHE 349 Ca 0.61 -0.52 -0.07 0.00 -1.04 0.00 0.00 56.93 55.91 2pnk s PHE 349 Cb 0.31 0.49 0.05 0.00 -1.21 0.00 0.00 43.02 42.67 2pnk s PHE 349 CO -0.13 -1.17 0.16 0.42 -1.34 0.00 0.00 175.22 173.16 2pnk s ILE 350 N -3.81 3.94 0.38 -4.49 1.01 -0.99 -4.71 121.20 112.53 2pnk s ILE 350 Ca 0.16 -1.23 0.08 0.00 0.00 0.00 0.00 60.65 59.67 2pnk s ILE 350 Cb -0.04 -3.30 0.16 0.00 0.01 0.00 0.00 42.46 39.29 2pnk s ILE 350 CO 0.09 -0.30 1.90 1.55 0.00 0.00 0.00 174.94 178.18 2pnk h PRO 351 N 8.28 0.29 -2.62 2.79 0.13 -1.87 -0.09 132.00 138.91 2pnk h PRO 351 Ca -0.23 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 64.76 2pnk h PRO 351 Cb 1.08 -0.04 -0.18 0.00 0.13 0.00 0.00 31.00 31.99 2pnk h PRO 351 CO 0.65 0.41 0.00 -1.14 -0.23 0.00 0.00 178.00 177.70 2pnk s GLN 352 N -4.76 0.95 0.14 0.86 2.00 -1.26 -3.27 119.66 114.32 2pnk s GLN 352 Ca -0.06 -0.08 -0.03 0.00 -2.00 0.00 0.00 55.36 53.19 2pnk s GLN 352 Cb 0.15 0.44 -0.03 0.00 0.80 0.00 0.00 33.01 34.37 2pnk s GLN 352 CO 0.74 -0.31 0.11 -3.38 -0.50 0.00 0.00 175.29 171.95 2pnk s HIS 353 N -1.81 0.78 -0.21 1.67 -3.43 -1.26 -4.71 115.29 106.32 2pnk s HIS 353 Ca -0.09 -1.14 0.15 0.00 -0.80 0.00 0.00 55.06 53.18 2pnk s HIS 353 Cb -0.01 -0.39 -0.23 0.00 -1.43 0.00 0.00 32.58 30.51 2pnk s HIS 353 CO 0.03 -0.57 0.02 -1.13 -2.00 0.00 0.00 174.74 171.09 2pnk n SER 354 N -0.13 0.46 -2.05 7.38 3.41 -1.24 -4.69 113.62 116.76 2pnk n SER 354 Ca -0.05 -0.02 -0.18 0.00 -0.26 0.00 0.00 58.87 58.35 2pnk n SER 354 Cb 0.64 0.74 -0.04 0.00 -0.26 0.00 0.00 64.21 65.29 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 -2.82 -5.15 -4.65 4.04 8.00 -0.78 -4.88 116.55 110.32 2pnk n ASP 355 Ca -0.34 0.21 -0.50 0.00 0.71 0.00 0.00 54.79 54.87 2pnk n ASP 355 Cb 1.11 -4.42 -0.05 0.00 -0.02 0.00 0.00 41.12 37.74 2pnk n ASP 355 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pnk n ALA 356 N -0.77 0.22 -0.05 2.24 0.00 -1.26 -4.32 120.51 116.56 2pnk n ALA 356 Ca -0.20 0.45 0.01 0.00 0.00 0.00 0.00 53.44 53.70 2pnk n ALA 356 Cb 0.64 -2.25 -0.16 0.00 0.00 0.00 0.00 19.45 17.68 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 3.70 0.67 -5.16 0.00 1.74 -1.26 -0.07 116.66 116.28 2pnk n ARG 357 Ca 0.19 -0.11 -0.31 0.00 -0.77 0.00 0.00 57.85 56.85 2pnk n ARG 357 Cb 0.23 -1.52 -0.17 0.00 -1.02 0.00 0.00 32.46 29.98 2pnk n ARG 357 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2pnk s VAL 358 N -3.05 1.97 0.19 1.55 1.01 -1.26 -4.29 120.40 116.52 2pnk s VAL 358 Ca -0.09 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 2pnk s VAL 358 Cb 0.10 -1.70 0.14 0.00 0.00 0.00 0.00 36.38 34.92 2pnk s VAL 358 CO 0.87 0.54 1.60 0.25 0.00 0.00 0.00 175.10 178.36 2pnk h LEU 359 N 6.69 -1.03 -2.55 3.92 5.85 -1.19 -0.92 115.31 126.09 2pnk h LEU 359 Ca -0.21 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2pnk h LEU 359 Cb 1.23 0.53 0.00 0.00 0.37 0.00 0.00 40.66 42.79 2pnk h LEU 359 CO 0.47 -0.29 0.07 -0.33 -0.34 0.00 0.00 178.44 178.03 2pnk h GLU 360 N -0.14 0.00 0.00 1.25 3.07 -1.94 -1.87 114.58 114.95 2pnk h GLU 360 Ca 0.24 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.10 2pnk h GLU 360 Cb 0.53 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2pnk h GLU 360 CO -0.66 0.00 -0.00 1.96 -1.40 0.00 0.00 179.01 178.91 2pnk h GLN 361 N 0.00 0.00 -0.85 2.33 4.20 -1.56 -0.71 115.11 118.52 2pnk h GLN 361 Ca 0.00 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.86 2pnk h GLN 361 Cb 0.15 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 2pnk h GLN 361 CO 0.00 0.00 0.56 -0.07 -0.67 0.00 0.00 178.83 178.65 2pnk h LEU 362 N 0.00 0.54 0.40 1.46 3.38 -1.52 -0.54 115.31 119.03 2pnk h LEU 362 Ca -0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2pnk h LEU 362 Cb 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2pnk h LEU 362 CO 0.00 0.27 -0.19 0.40 0.09 0.00 0.00 178.44 179.00 2pnk h ILE 363 N 0.57 0.61 -0.03 1.22 2.04 -1.36 -2.78 117.51 117.78 2pnk h ILE 363 Ca 0.43 -0.19 -0.25 0.00 1.00 0.00 0.00 64.86 65.85 2pnk h ILE 363 Cb 0.82 0.70 0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2pnk h ILE 363 CO -0.18 0.04 -0.98 0.10 0.00 0.00 0.00 178.15 177.13 2pnk h TYR 364 N -0.65 0.96 -0.43 1.37 -0.00 -1.62 -1.35 116.97 115.25 2pnk h TYR 364 Ca -0.06 -0.50 0.04 0.00 0.00 0.00 0.00 58.73 58.22 2pnk h TYR 364 Cb 0.47 -0.12 -0.04 0.00 0.00 0.00 0.00 36.73 37.04 2pnk h TYR 364 CO -0.02 1.34 0.19 0.87 -0.00 0.00 0.00 178.16 180.53 2pnk h LYS 365 N 0.39 0.37 0.11 0.10 1.79 -1.18 0.21 116.57 118.36 2pnk h LYS 365 Ca -0.11 -0.02 -0.27 0.00 -2.18 0.00 0.00 60.65 58.07 2pnk h LYS 365 Cb 1.62 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 32.19 2pnk h LYS 365 CO 0.19 0.24 -1.20 -1.49 -1.08 0.00 0.00 179.45 176.11 2pnk h TRP 366 N 0.38 0.53 -0.14 -1.35 4.06 -1.54 -2.63 115.95 115.26 2pnk h TRP 366 Ca 0.20 -0.37 -0.02 0.00 2.06 0.00 0.00 58.89 60.75 2pnk h TRP 366 Cb 0.15 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 2pnk h TRP 366 CO -0.13 1.27 0.02 0.45 -3.56 0.00 0.00 178.44 176.49 2pnk h HIS 367 N 0.10 0.25 -0.69 0.49 3.86 -1.00 0.12 115.15 118.28 2pnk h HIS 367 Ca -0.13 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 2pnk h HIS 367 Cb 1.92 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 30.29 2pnk h HIS 367 CO 0.07 0.43 0.41 0.45 0.86 0.00 0.00 177.93 180.15 2pnk h HIS 368 N -0.00 0.92 0.03 2.45 3.86 -0.68 -2.82 115.15 118.90 2pnk h HIS 368 Ca 0.04 -0.01 -0.21 0.00 -1.16 0.00 0.00 60.37 59.04 2pnk h HIS 368 Cb 0.32 -0.30 0.02 0.00 1.06 0.00 0.00 27.41 28.50 2pnk h HIS 368 CO 0.02 0.62 -0.82 0.77 0.86 0.00 0.00 177.93 179.39 2pnk h SER 369 N 0.94 0.67 -0.91 2.45 0.02 -1.43 -3.13 113.55 112.17 2pnk h SER 369 Ca 0.25 -0.78 0.08 0.00 -0.84 0.00 0.00 61.79 60.50 2pnk h SER 369 Cb -0.02 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.24 2pnk h SER 369 CO -0.05 1.37 0.56 0.11 -1.14 0.00 0.00 176.83 177.68 2pnk h LYS 370 N 0.05 0.94 -0.57 3.45 1.57 -0.75 0.68 116.57 121.93 2pnk h LYS 370 Ca -0.11 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2pnk h LYS 370 Cb 1.52 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 2pnk h LYS 370 CO 0.16 0.62 0.37 0.66 -0.57 0.00 0.00 179.45 180.69 2pnk h SER 371 N 0.97 0.66 -0.15 0.86 4.64 -1.52 0.11 113.55 119.12 2pnk h SER 371 Ca 0.42 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.67 2pnk h SER 371 Cb 0.28 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2pnk h SER 371 CO -0.21 0.50 -0.05 0.40 -0.87 0.00 0.00 176.83 176.60 2pnk h ILE 372 N 0.77 1.30 -0.40 0.95 2.04 -1.36 -2.52 117.51 118.28 2pnk h ILE 372 Ca 0.21 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 2pnk h ILE 372 Cb -0.07 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2pnk h ILE 372 CO -0.04 0.30 0.04 0.40 0.00 0.00 0.00 178.15 178.85 2pnk h ILE 373 N -0.02 1.20 -0.63 -0.67 2.04 -0.67 -1.96 117.51 116.81 2pnk h ILE 373 Ca 0.04 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 2pnk h ILE 373 Cb 0.49 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2pnk h ILE 373 CO 0.02 0.27 0.34 0.00 0.00 0.00 0.00 178.15 178.78 2pnk h ALA 374 N 1.46 0.81 -0.56 1.87 0.00 -0.67 -1.31 119.26 120.86 2pnk h ALA 374 Ca 0.13 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2pnk h ALA 374 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2pnk h ALA 374 CO 0.01 0.33 -0.09 0.93 0.00 0.00 0.00 179.25 180.43 2pnk h GLU 375 N 0.86 1.03 -0.08 0.00 4.39 -0.94 0.22 114.58 120.06 2pnk h GLU 375 Ca 0.22 -0.37 0.02 0.00 0.34 0.00 0.00 59.36 59.57 2pnk h GLU 375 Cb 0.05 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2pnk h GLU 375 CO -0.03 1.06 -0.03 0.28 -1.16 0.00 0.00 179.01 179.13 2pnk h VAL 376 N 0.92 0.90 -0.62 3.13 2.07 -1.20 -1.54 116.25 119.91 2pnk h VAL 376 Ca 0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 2pnk h VAL 376 Cb 0.65 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 2pnk h VAL 376 CO 0.04 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.89 2pnk h LEU 377 N -0.02 0.46 -0.53 2.57 3.38 -0.84 -0.91 115.31 119.42 2pnk h LEU 377 Ca 0.04 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2pnk h LEU 377 Cb 0.08 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 2pnk h LEU 377 CO -0.09 0.30 0.26 0.40 0.09 0.00 0.00 178.44 179.40 2pnk h ILE 378 N 0.60 0.93 -0.15 1.22 2.04 -0.22 -0.31 117.51 121.62 2pnk h ILE 378 Ca 0.28 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 2pnk h ILE 378 Cb 0.20 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2pnk h ILE 378 CO -0.19 0.09 0.09 0.44 0.00 0.00 0.00 178.15 178.57 2pnk h ASP 379 N 0.50 0.19 -0.57 1.72 3.32 -0.75 -1.62 116.42 119.20 2pnk h ASP 379 Ca 0.24 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 2pnk h ASP 379 Cb 0.17 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2pnk h ASP 379 CO -0.18 0.21 0.04 0.11 -1.72 0.00 0.00 179.24 177.70 2pnk h LYS 380 N 0.15 0.98 -0.44 3.56 6.56 -0.86 -1.59 116.57 124.94 2pnk h LYS 380 Ca 0.05 -0.29 -0.06 0.00 -1.06 0.00 0.00 60.65 59.29 2pnk h LYS 380 Cb 0.06 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 2pnk h LYS 380 CO -0.01 0.96 0.03 1.88 -2.06 0.00 0.00 179.45 180.26 2pnk h TYR 381 N 0.87 0.81 -0.99 -1.35 0.05 -1.07 -2.82 116.97 112.48 2pnk h TYR 381 Ca 0.17 -0.13 0.03 0.00 0.05 0.00 0.00 58.73 58.85 2pnk h TYR 381 Cb 0.50 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.96 2pnk h TYR 381 CO 0.04 0.79 0.65 0.22 -1.05 0.00 0.00 178.16 178.80 2pnk h ASP 382 N 0.60 1.09 -0.65 3.88 3.58 -1.20 0.16 116.42 123.87 2pnk h ASP 382 Ca 0.13 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 2pnk h ASP 382 Cb 0.44 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2pnk h ASP 382 CO 0.02 0.75 0.16 0.44 -2.88 0.00 0.00 179.24 177.72 2pnk h ASP 383 N 1.26 1.01 0.80 2.28 3.32 -1.13 0.83 116.42 124.79 2pnk h ASP 383 Ca 0.39 -0.21 -0.20 0.00 0.02 0.00 0.00 57.03 57.04 2pnk h ASP 383 Cb -0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2pnk h ASP 383 CO -0.12 0.97 -0.91 0.16 -1.72 0.00 0.00 179.24 177.62 2pnk h ILE 384 N 1.01 1.60 -0.54 0.35 3.07 -1.21 -2.17 117.51 119.62 2pnk h ILE 384 Ca 0.21 -2.95 0.01 0.00 1.55 0.00 0.00 64.86 63.68 2pnk h ILE 384 Cb 0.36 2.63 -0.03 0.00 -0.27 0.00 0.00 36.82 39.51 2pnk h ILE 384 CO 0.00 0.85 0.35 -0.07 -1.05 0.00 0.00 178.15 178.23 2pnk h LEU 385 N 0.03 0.59 -1.76 0.16 3.38 -0.48 -1.49 115.31 115.73 2pnk h LEU 385 Ca -0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2pnk h LEU 385 Cb 1.59 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 2pnk h LEU 385 CO 0.13 0.42 -0.16 1.56 0.09 0.00 0.00 178.44 180.47 2pnk h GLN 386 N 0.70 0.00 -0.00 1.13 1.08 -0.73 0.82 115.11 118.11 2pnk h GLN 386 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2pnk h GLN 386 Cb -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2pnk h GLN 386 CO -0.06 0.16 0.00 0.00 -0.95 0.00 0.00 178.83 177.98 2pnk n ALA 387 N -2.36 2.61 0.00 3.87 0.00 -0.82 -4.90 120.51 118.92 2pnk n ALA 387 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2pnk n ALA 387 Cb 0.26 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 0.81 0.13 3.77 0.00 0.00 0.28 -5.06 105.19 105.13 2pnk n GLY 388 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2pnk n GLY 388 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2pnk s TRP 389 N -2.00 2.90 -0.32 1.61 -0.11 -0.63 -4.98 118.94 115.41 2pnk s TRP 389 Ca 0.00 1.50 -0.07 0.00 1.22 0.00 0.00 56.10 58.75 2pnk s TRP 389 Cb 0.00 -3.49 0.02 0.00 -1.50 0.00 0.00 33.47 28.50 2pnk s TRP 389 CO 0.00 -1.68 0.11 -1.21 -4.62 0.00 0.00 176.95 169.55 2pnk s GLU 390 N -2.43 2.88 -0.07 5.86 2.02 -1.26 -4.12 118.70 121.59 2pnk s GLU 390 Ca 0.60 -1.00 -0.20 0.00 0.02 0.00 0.00 54.97 54.38 2pnk s GLU 390 Cb -0.33 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 2pnk s GLU 390 CO 0.41 -0.56 0.56 0.08 0.02 0.00 0.00 175.26 175.77 2pnk s VAL 391 N 1.47 5.06 0.18 2.63 1.01 -1.26 -5.07 120.40 124.42 2pnk s VAL 391 Ca 0.01 1.15 -0.03 0.00 0.00 0.00 0.00 61.98 63.11 2pnk s VAL 391 Cb -0.18 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2pnk s VAL 391 CO 0.03 0.35 0.39 0.42 0.00 0.00 0.00 175.10 176.29 2pnk s THR 392 N 0.34 5.18 0.49 3.92 -4.23 -1.26 -4.56 115.64 115.52 2pnk s THR 392 Ca 0.30 -0.16 0.17 0.00 -1.18 0.00 0.00 61.69 60.83 2pnk s THR 392 Cb -0.17 -3.68 0.25 0.00 1.34 0.00 0.00 72.50 70.24 2pnk s THR 392 CO 0.14 -0.08 2.10 -0.08 -0.54 0.00 0.00 174.62 176.16 2pnk h GLU 393 N 2.39 0.00 -0.08 3.99 4.81 -1.99 -1.04 114.58 122.65 2pnk h GLU 393 Ca -0.47 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.62 2pnk h GLU 393 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2pnk h GLU 393 CO 0.70 0.07 -0.57 0.93 -0.73 0.00 0.00 179.01 179.42 2pnk h GLU 394 N 0.00 0.25 -0.41 1.92 4.39 -1.99 -1.74 114.58 117.00 2pnk h GLU 394 Ca -0.00 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.42 2pnk h GLU 394 Cb 0.14 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2pnk h GLU 394 CO 0.01 0.75 -0.23 0.93 -1.16 0.00 0.00 179.01 179.31 2pnk h GLU 395 N 0.19 0.82 -0.52 2.33 5.08 -1.68 -1.52 114.58 119.28 2pnk h GLU 395 Ca -0.00 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 2pnk h GLU 395 Cb 1.06 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2pnk h GLU 395 CO 0.09 0.97 0.30 0.82 -1.00 0.00 0.00 179.01 180.18 2pnk h ILE 396 N 0.71 1.17 -0.66 3.13 2.04 -0.94 -1.41 117.51 121.54 2pnk h ILE 396 Ca 0.10 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 2pnk h ILE 396 Cb 0.76 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2pnk h ILE 396 CO 0.06 0.18 0.24 0.11 0.00 0.00 0.00 178.15 178.74 2pnk h LYS 397 N 0.69 1.00 0.16 2.37 1.57 -1.18 -0.87 116.57 120.31 2pnk h LYS 397 Ca 0.18 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2pnk h LYS 397 Cb 0.02 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 2pnk h LYS 397 CO -0.03 0.85 -0.27 -0.09 -0.57 0.00 0.00 179.45 179.34 2pnk h ARG 398 N 0.94 -0.48 -0.51 3.15 2.43 -1.06 -0.29 114.38 118.56 2pnk h ARG 398 Ca 0.22 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 2pnk h ARG 398 Cb 0.24 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 2pnk h ARG 398 CO -0.01 -0.32 0.27 -0.44 -1.51 0.00 0.00 179.97 177.95 2pnk h ASP 399 N -0.50 0.40 -0.45 -3.80 3.32 -1.08 0.01 116.42 114.33 2pnk h ASP 399 Ca 0.02 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 2pnk h ASP 399 Cb 0.51 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2pnk h ASP 399 CO -0.13 0.28 -0.02 0.58 -1.72 0.00 0.00 179.24 178.22 2pnk h VAL 400 N 0.53 1.25 -0.69 -1.35 2.07 -1.06 -1.68 116.25 115.32 2pnk h VAL 400 Ca 0.22 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 2pnk h VAL 400 Cb 0.11 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2pnk h VAL 400 CO -0.14 0.39 0.24 0.00 0.02 0.00 0.00 177.57 178.07 2pnk h ALA 401 N 1.16 0.91 0.07 1.67 0.00 -0.34 -1.67 119.26 121.05 2pnk h ALA 401 Ca 0.15 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2pnk h ALA 401 Cb 0.52 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2pnk h ALA 401 CO 0.03 0.57 -0.18 -0.44 0.00 0.00 0.00 179.25 179.22 2pnk h ASP 402 N 1.01 -0.52 -0.71 0.00 3.32 -0.70 0.88 116.42 119.70 2pnk h ASP 402 Ca 0.23 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.29 2pnk h ASP 402 Cb 0.27 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 2pnk h ASP 402 CO -0.01 -0.26 0.23 -0.07 -1.72 0.00 0.00 179.24 177.42 2pnk h LEU 403 N -0.34 1.03 0.00 1.55 3.38 -1.12 -0.43 115.31 119.38 2pnk h LEU 403 Ca 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2pnk h LEU 403 Cb 0.37 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2pnk h LEU 403 CO -0.13 0.95 -1.11 0.49 0.09 0.00 0.00 178.44 178.73 2pnk n PHE 404 N -4.26 0.21 0.07 1.13 3.72 -0.64 -4.20 117.46 113.48 2pnk n PHE 404 Ca 0.06 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 2pnk n PHE 404 Cb 0.22 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 2pnk n PHE 404 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2pnk n SER 405 N -1.94 -0.71 0.08 4.37 2.88 -0.36 -1.60 113.62 116.35 2pnk n SER 405 Ca 0.02 0.24 -0.08 0.00 -1.33 0.00 0.00 58.87 57.71 2pnk n SER 405 Cb 0.44 0.85 -0.06 0.00 -0.75 0.00 0.00 64.21 64.68 2pnk n SER 405 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2pnk h ARG 406 N 0.00 0.10 -0.87 -1.46 3.08 -0.74 -2.98 114.38 111.51 2pnk h ARG 406 Ca 0.00 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 59.98 2pnk h ARG 406 Cb 0.00 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 2pnk h ARG 406 CO 0.00 0.99 0.53 -0.91 -1.07 0.00 0.00 179.97 179.51 2pnk h ASN 407 N 0.04 0.82 0.15 7.04 2.35 -1.30 0.13 115.58 124.82 2pnk h ASN 407 Ca -0.04 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2pnk h ASN 407 Cb 1.66 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.89 2pnk h ASN 407 CO 0.14 0.51 -0.07 0.15 -1.65 0.00 0.00 177.43 176.50 2pnk h PHE 408 N 0.95 -0.19 -0.45 1.19 3.57 -1.77 -0.68 116.94 119.55 2pnk h PHE 408 Ca 0.39 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.81 2pnk h PHE 408 Cb 0.23 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2pnk h PHE 408 CO -0.03 0.04 -0.02 -1.49 -2.23 0.00 0.00 178.31 174.57 2pnk h TRP 409 N -0.40 0.80 -0.34 0.41 4.06 -1.36 -1.28 115.95 117.84 2pnk h TRP 409 Ca -0.02 -0.12 -0.02 0.00 2.06 0.00 0.00 58.89 60.80 2pnk h TRP 409 Cb 0.32 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 2pnk h TRP 409 CO -0.01 0.76 0.14 -0.09 -3.56 0.00 0.00 178.44 175.68 2pnk h ARG 410 N 0.70 0.50 -0.46 0.49 2.43 -0.95 -2.09 114.38 115.02 2pnk h ARG 410 Ca 0.14 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2pnk h ARG 410 Cb 0.46 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2pnk h ARG 410 CO 0.02 0.49 0.08 0.35 -1.51 0.00 0.00 179.97 179.41 2pnk h PHE 411 N 0.40 0.80 -0.00 2.20 3.57 -0.62 -2.93 116.94 120.36 2pnk h PHE 411 Ca 0.11 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2pnk h PHE 411 Cb 0.17 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.69 2pnk h PHE 411 CO -0.01 0.74 -0.03 1.33 -2.23 0.00 0.00 178.31 178.11 2pnk n VAL 412 N -4.47 0.00 -2.78 1.41 0.24 -0.53 -4.91 118.33 107.29 2pnk n VAL 412 Ca 0.00 -0.01 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 2pnk n VAL 412 Cb 0.24 -0.43 0.02 0.00 -1.47 0.00 0.00 33.84 32.21 2pnk n VAL 412 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pnk n GLY 413 N 1.37 0.43 3.13 7.63 0.00 -0.81 -4.83 105.19 112.11 2pnk n GLY 413 Ca 0.11 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 2pnk n GLY 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnk n ARG 414 N -1.94 0.41 -4.84 1.61 1.74 -1.04 -5.08 116.66 107.53 2pnk n ARG 414 Ca -0.01 -3.25 -0.33 0.00 -0.77 0.00 0.00 57.85 53.49 2pnk n ARG 414 Cb 0.52 2.61 -0.13 0.00 -1.02 0.00 0.00 32.46 34.45 2pnk n ARG 414 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2pnk s ASN 415 N -3.28 4.13 1.13 0.55 0.01 -1.26 -4.53 114.94 111.68 2pnk s ASN 415 Ca 0.38 -0.18 -0.14 0.00 -0.71 0.00 0.00 52.86 52.21 2pnk s ASN 415 Cb 0.02 -0.97 0.26 0.00 0.41 0.00 0.00 41.25 40.97 2pnk s ASN 415 CO 0.27 0.33 1.05 1.51 -1.51 0.00 0.00 177.10 178.75 2pnk s ASP 416 N -0.64 1.40 0.43 -1.22 -4.77 -1.26 -4.68 116.67 105.92 2pnk s ASP 416 Ca 0.10 1.24 0.24 0.00 -3.30 0.00 0.00 52.55 50.83 2pnk s ASP 416 Cb -0.11 -1.93 0.71 0.00 -1.09 0.00 0.00 42.92 40.50 2pnk s ASP 416 CO 0.01 -3.90 1.73 1.12 0.70 0.00 0.00 175.17 174.83 2pnk h HIS 417 N -2.42 0.00 -0.10 2.11 2.07 -1.90 -1.11 115.15 113.80 2pnk h HIS 417 Ca -0.57 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 56.91 2pnk h HIS 417 Cb 1.33 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.31 2pnk h HIS 417 CO -0.12 0.19 -0.08 0.28 -3.07 0.00 0.00 177.93 175.13 2pnk h VAL 418 N 0.00 1.35 -0.24 6.12 2.07 -1.92 0.12 116.25 123.74 2pnk h VAL 418 Ca -0.00 -1.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 2pnk h VAL 418 Cb 0.88 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2pnk h VAL 418 CO 0.02 0.34 -0.06 0.74 0.02 0.00 0.00 177.57 178.64 2pnk h THR 419 N -0.18 1.18 -0.06 2.57 2.02 -1.86 -2.86 112.91 113.73 2pnk h THR 419 Ca 0.02 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 2pnk h THR 419 Cb 0.58 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2pnk h THR 419 CO 0.02 0.25 -0.17 0.28 0.37 0.00 0.00 175.52 176.26 2pnk h SER 420 N 0.36 0.25 -0.00 4.18 0.02 -1.22 -3.49 113.55 113.66 2pnk h SER 420 Ca 0.08 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2pnk h SER 420 Cb 0.34 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2pnk h SER 420 CO 0.01 0.82 0.00 1.33 -1.14 0.00 0.00 176.83 177.86