#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnk s SER 2 N 0.00 6.32 -0.47 1.61 1.04 -1.26 -5.12 113.70 115.82 2pnk s SER 2 Ca 0.00 0.21 -0.26 0.00 0.48 0.00 0.00 55.95 56.38 2pnk s SER 2 Cb 0.00 -1.92 0.03 0.00 0.10 0.00 0.00 66.02 64.23 2pnk s SER 2 CO 0.00 0.11 0.94 -0.63 0.98 0.00 0.00 173.24 174.64 2pnk s ILE 3 N -1.62 4.45 -0.28 -1.02 1.01 -1.26 -4.88 121.20 117.60 2pnk s ILE 3 Ca 0.35 0.76 0.21 0.00 0.00 0.00 0.00 60.65 61.96 2pnk s ILE 3 Cb -0.12 -4.45 0.10 0.00 0.01 0.00 0.00 42.46 38.00 2pnk s ILE 3 CO 0.28 -0.86 1.24 -0.55 0.00 0.00 0.00 174.94 175.06 2pnk h ASN 4 N 9.10 0.00 -5.01 3.58 -1.07 -1.98 -3.48 115.58 116.72 2pnk h ASN 4 Ca -0.24 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.05 2pnk h ASN 4 Cb 1.07 0.00 -0.18 0.00 -2.07 0.00 0.00 38.32 37.15 2pnk h ASN 4 CO 1.04 0.13 -0.06 -0.94 0.07 0.00 0.00 177.43 177.67 2pnk s SER 5 N -5.82 -0.37 0.39 6.14 1.04 -1.26 -5.02 113.70 108.80 2pnk s SER 5 Ca 0.02 0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.72 2pnk s SER 5 Cb 0.08 0.44 0.82 0.00 0.10 0.00 0.00 66.02 67.45 2pnk s SER 5 CO 0.75 -0.61 2.00 -0.09 0.98 0.00 0.00 173.24 176.26 2pnk h ARG 6 N 3.16 0.63 -0.52 4.02 2.43 -1.98 0.03 114.38 122.14 2pnk h ARG 6 Ca -0.30 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.79 2pnk h ARG 6 Cb 1.19 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 2pnk h ARG 6 CO 0.41 0.41 0.15 0.93 -1.51 0.00 0.00 179.97 180.37 2pnk h GLU 7 N 0.64 0.82 -0.27 0.20 3.07 -1.99 0.17 114.58 117.22 2pnk h GLU 7 Ca 0.25 -0.18 -0.19 0.00 -0.50 0.00 0.00 59.36 58.74 2pnk h GLU 7 Cb 0.17 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2pnk h GLU 7 CO -0.07 0.76 -0.56 0.28 -1.40 0.00 0.00 179.01 178.03 2pnk h VAL 8 N 0.72 1.28 -0.33 3.13 2.07 -1.90 -2.82 116.25 118.39 2pnk h VAL 8 Ca 0.17 -1.75 0.07 0.00 0.82 0.00 0.00 66.70 66.01 2pnk h VAL 8 Cb 0.30 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 2pnk h VAL 8 CO -0.00 0.57 -0.14 0.25 0.02 0.00 0.00 177.57 178.27 2pnk h LEU 9 N 0.64 -0.46 -0.95 2.57 5.85 -0.74 -1.94 115.31 120.28 2pnk h LEU 9 Ca 0.01 0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.93 2pnk h LEU 9 Cb 1.16 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.39 2pnk h LEU 9 CO 0.12 -0.17 0.60 0.00 -0.34 0.00 0.00 178.44 178.65 2pnk h ALA 10 N 1.20 1.34 -0.20 1.25 0.00 -0.53 0.45 119.26 122.77 2pnk h ALA 10 Ca 0.17 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 2pnk h ALA 10 Cb 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2pnk h ALA 10 CO -0.38 0.33 -0.63 0.93 0.00 0.00 0.00 179.25 179.50 2pnk h GLU 11 N 1.06 0.72 -0.44 0.00 4.39 -1.24 -1.07 114.58 118.00 2pnk h GLU 11 Ca 0.43 -0.50 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 2pnk h GLU 11 Cb 0.25 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2pnk h GLU 11 CO -0.20 1.12 0.16 0.87 -1.16 0.00 0.00 179.01 179.81 2pnk h LYS 12 N 0.53 0.66 -0.17 2.33 1.57 -0.60 -0.99 116.57 119.90 2pnk h LYS 12 Ca -0.01 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 2pnk h LYS 12 Cb 1.22 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 2pnk h LYS 12 CO 0.13 0.62 -0.03 0.28 -0.57 0.00 0.00 179.45 179.88 2pnk h VAL 13 N 0.56 1.28 -0.88 0.50 2.07 -0.85 -0.60 116.25 118.34 2pnk h VAL 13 Ca 0.14 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2pnk h VAL 13 Cb 0.21 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 2pnk h VAL 13 CO -0.01 0.29 0.48 0.11 0.02 0.00 0.00 177.57 178.46 2pnk h LYS 14 N 0.04 1.24 -0.29 1.57 1.57 -1.14 0.11 116.57 119.66 2pnk h LYS 14 Ca 0.04 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2pnk h LYS 14 Cb 0.45 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2pnk h LYS 14 CO 0.01 0.91 0.15 -0.91 -0.57 0.00 0.00 179.45 179.04 2pnk h ASN 15 N 1.24 0.37 -0.39 0.86 2.35 -1.13 -0.65 115.58 118.22 2pnk h ASN 15 Ca 0.31 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2pnk h ASN 15 Cb 0.04 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2pnk h ASN 15 CO -0.05 0.37 0.26 0.00 -1.65 0.00 0.00 177.43 176.36 2pnk h ALA 16 N 1.02 0.49 -0.21 -0.83 0.00 -0.35 -0.54 119.26 118.85 2pnk h ALA 16 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2pnk h ALA 16 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2pnk h ALA 16 CO -0.01 -0.05 0.00 0.28 0.00 0.00 0.00 179.25 179.46 2pnk h VAL 17 N 0.53 1.25 -0.36 0.00 2.07 -0.74 -1.74 116.25 117.25 2pnk h VAL 17 Ca 0.14 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 2pnk h VAL 17 Cb -0.06 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2pnk h VAL 17 CO -0.03 0.27 -0.18 0.78 0.02 0.00 0.00 177.57 178.42 2pnk h ASN 18 N 0.13 0.68 1.59 0.57 2.35 -1.01 -2.85 115.58 117.04 2pnk h ASN 18 Ca 0.06 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 2pnk h ASN 18 Cb 0.40 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 2pnk h ASN 18 CO 0.01 0.86 -0.03 0.78 -1.65 0.00 0.00 177.43 177.41 2pnk h ASN 19 N 0.60 0.00 -2.87 5.81 2.35 -0.97 -3.45 115.58 117.05 2pnk h ASN 19 Ca 0.09 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.28 2pnk h ASN 19 Cb 0.65 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.98 2pnk h ASN 19 CO 0.05 0.03 0.93 -1.58 -1.65 0.00 0.00 177.43 175.20 2pnk s GLN 20 N -3.38 4.23 0.23 0.81 2.00 -0.67 -4.97 119.66 117.91 2pnk s GLN 20 Ca 0.05 1.75 -0.30 0.00 -2.00 0.00 0.00 55.36 54.85 2pnk s GLN 20 Cb 0.07 -3.79 -0.10 0.00 0.80 0.00 0.00 33.01 29.99 2pnk s GLN 20 CO 0.63 -0.72 1.47 -2.14 -0.50 0.00 0.00 175.29 174.03 2pnk s PRO 21 N 3.53 4.25 -0.05 1.67 0.02 -1.26 -4.94 135.00 138.21 2pnk s PRO 21 Ca 0.58 2.32 -0.16 0.00 0.02 0.00 0.00 61.00 63.76 2pnk s PRO 21 Cb -0.24 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.11 2pnk s PRO 21 CO 0.17 -0.47 0.43 0.08 -0.33 0.00 0.00 177.00 176.89 2pnk s VAL 22 N 0.26 5.09 -0.30 3.83 1.01 0.28 -4.66 120.40 125.91 2pnk s VAL 22 Ca 0.62 0.88 -0.17 0.00 0.00 0.00 0.00 61.98 63.30 2pnk s VAL 22 Cb -0.42 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 2pnk s VAL 22 CO 0.41 0.47 0.48 -0.89 0.00 0.00 0.00 175.10 175.56 2pnk s THR 23 N -0.33 5.08 0.35 3.92 2.01 -0.70 -0.32 115.64 125.64 2pnk s THR 23 Ca 0.24 0.57 0.07 0.00 0.31 0.00 0.00 61.69 62.88 2pnk s THR 23 Cb -0.16 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 2pnk s THR 23 CO 0.12 -0.02 0.44 -0.62 -0.69 0.00 0.00 174.62 173.84 2pnk s ASP 24 N 1.66 5.73 -0.41 3.53 -1.08 -0.33 -4.70 116.67 121.07 2pnk s ASP 24 Ca 0.18 -0.31 -0.37 0.00 -0.52 0.00 0.00 52.55 51.53 2pnk s ASP 24 Cb -0.16 -1.07 -0.16 0.00 -1.46 0.00 0.00 42.92 40.08 2pnk s ASP 24 CO 0.11 -0.47 1.62 1.57 0.52 0.00 0.00 175.17 178.52 2pnk n HIS 26 N -1.60 1.10 -4.20 -5.34 -0.00 -1.26 -1.27 115.22 102.65 2pnk n HIS 26 Ca 0.01 0.73 -0.12 0.00 -0.00 0.00 0.00 57.72 58.34 2pnk n HIS 26 Cb 0.59 -1.86 -0.10 0.00 -0.00 0.00 0.00 29.99 28.61 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 4.17 0.19 -0.39 3.57 -4.23 -0.42 -1.61 115.64 116.92 2pnk s THR 27 Ca 0.95 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 59.55 2pnk s THR 27 Cb -1.23 -2.27 0.48 0.00 1.34 0.00 0.00 72.50 70.82 2pnk s THR 27 CO 0.58 -0.26 1.52 1.41 -0.54 0.00 0.00 174.62 177.33 2pnk n HIS 28 N -0.21 2.30 -3.69 3.99 8.25 0.13 -2.00 115.22 123.99 2pnk n HIS 28 Ca -0.02 -2.21 -0.22 0.00 -0.26 0.00 0.00 57.72 55.01 2pnk n HIS 28 Cb 0.65 -0.69 -0.02 0.00 1.12 0.00 0.00 29.99 31.05 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 -3.53 4.17 0.08 2.41 1.43 -1.19 -4.60 118.68 117.44 2pnk s LEU 29 Ca 0.52 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.92 2pnk s LEU 29 Cb 0.44 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 2pnk s LEU 29 CO 0.01 -0.18 -0.14 -0.36 0.23 0.00 0.00 176.35 175.91 2pnk s PHE 30 N -2.14 1.23 0.24 0.29 0.08 -1.26 -4.40 117.98 112.02 2pnk s PHE 30 Ca 0.37 -0.48 -0.30 0.00 0.12 0.00 0.00 56.93 56.63 2pnk s PHE 30 Cb -0.09 -0.68 -0.14 0.00 -0.57 0.00 0.00 43.02 41.53 2pnk s PHE 30 CO 0.32 0.06 1.16 0.45 -0.10 0.00 0.00 175.22 177.12 2pnk n SER 31 N 1.15 1.68 0.15 1.36 2.88 -1.26 -4.79 113.62 114.79 2pnk n SER 31 Ca -0.20 1.16 0.15 0.00 -1.33 0.00 0.00 58.87 58.64 2pnk n SER 31 Cb 0.55 -1.30 0.70 0.00 -0.75 0.00 0.00 64.21 63.41 2pnk n SER 31 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2pnk h PRO 32 N 2.99 0.00 0.00 -1.46 0.13 -1.93 -0.51 132.00 131.23 2pnk h PRO 32 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2pnk h PRO 32 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2pnk h PRO 32 CO 0.67 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.71 2pnk n ASN 33 N -4.33 0.53 0.10 1.44 6.94 -1.26 -1.68 115.26 116.99 2pnk n ASN 33 Ca 0.03 0.66 0.12 0.00 -0.02 0.00 0.00 54.58 55.37 2pnk n ASN 33 Cb 0.33 -0.76 0.45 0.00 -2.36 0.00 0.00 39.78 37.44 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 -2.12 0.66 -2.07 -2.53 3.01 -0.20 -5.01 117.46 109.20 2pnk n PHE 34 Ca 0.01 0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.71 2pnk n PHE 34 Cb 0.16 -0.88 0.00 0.00 -0.01 0.00 0.00 39.48 38.74 2pnk n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pnk n GLY 35 N 0.39 0.63 0.23 1.37 0.00 -0.68 -4.39 105.19 102.73 2pnk n GLY 35 Ca 0.03 -1.29 0.16 0.00 0.00 0.00 0.00 46.02 44.93 2pnk n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2pnk h GLU 36 N 0.00 0.00 0.00 1.61 4.39 -1.95 -1.51 114.58 117.12 2pnk h GLU 36 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2pnk h GLU 36 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2pnk h GLU 36 CO 0.00 0.00 -0.04 0.97 -1.16 0.00 0.00 179.01 178.78 2pnk h ILE 37 N 0.00 0.47 -3.38 3.13 2.10 -1.93 -3.37 117.51 114.53 2pnk h ILE 37 Ca 0.00 -0.18 -0.57 0.00 1.08 0.00 0.00 64.86 65.20 2pnk h ILE 37 Cb 0.25 1.12 -0.06 0.00 -1.09 0.00 0.00 36.82 37.04 2pnk h ILE 37 CO 0.00 0.04 1.00 -0.22 -1.08 0.00 0.00 178.15 177.89 2pnk s LEU 38 N -7.36 3.67 -0.02 2.19 2.96 -0.57 -4.77 118.68 114.79 2pnk s LEU 38 Ca -0.04 0.81 -0.19 0.00 -0.22 0.00 0.00 54.13 54.48 2pnk s LEU 38 Cb 0.14 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.24 2pnk s LEU 38 CO 0.54 -1.29 0.55 -0.76 -1.32 0.00 0.00 176.35 174.08 2pnk s LEU 39 N 4.88 4.41 0.07 -0.68 1.43 -1.26 -5.01 118.68 122.52 2pnk s LEU 39 Ca 0.56 1.09 -0.17 0.00 -1.03 0.00 0.00 54.13 54.58 2pnk s LEU 39 Cb -0.12 -2.85 0.03 0.00 0.03 0.00 0.00 46.19 43.28 2pnk s LEU 39 CO 0.30 0.12 0.40 -1.66 0.23 0.00 0.00 176.35 175.74 2pnk s TRP 40 N -0.22 -0.23 0.00 0.29 1.48 -1.26 -0.64 118.94 118.36 2pnk s TRP 40 Ca 0.29 0.10 0.00 0.00 -1.06 0.00 0.00 56.10 55.43 2pnk s TRP 40 Cb -0.18 0.22 0.00 0.00 -1.16 0.00 0.00 33.47 32.35 2pnk s TRP 40 CO 0.16 -0.60 0.00 -0.40 -4.06 0.00 0.00 176.95 172.05 2pnk n ASP 41 N 0.30 0.00 0.10 -2.66 5.68 -1.26 -4.61 116.55 114.09 2pnk n ASP 41 Ca -0.18 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.14 2pnk n ASP 41 Cb 0.61 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 41.00 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 1.15 -0.20 2.12 6.09 -1.96 -0.54 117.51 124.17 2pnk h ILE 42 Ca 0.00 -0.63 -0.13 0.00 -1.37 0.00 0.00 64.86 62.73 2pnk h ILE 42 Cb 0.00 1.06 -0.01 0.00 0.47 0.00 0.00 36.82 38.34 2pnk h ILE 42 CO 0.00 0.20 -0.44 0.44 -3.07 0.00 0.00 178.15 175.29 2pnk h ASP 43 N 0.28 0.52 0.09 2.19 3.32 -1.94 -0.17 116.42 120.72 2pnk h ASP 43 Ca 0.06 -0.24 -0.23 0.00 0.02 0.00 0.00 57.03 56.64 2pnk h ASP 43 Cb 0.27 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.69 2pnk h ASP 43 CO 0.01 0.90 -0.90 -0.33 -1.72 0.00 0.00 179.24 177.19 2pnk h GLU 44 N 0.40 0.60 -0.21 3.56 4.39 -1.71 -2.40 114.58 119.21 2pnk h GLU 44 Ca 0.03 -0.58 0.05 0.00 0.34 0.00 0.00 59.36 59.19 2pnk h GLU 44 Cb 0.93 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.68 2pnk h GLU 44 CO 0.08 1.20 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.98 2pnk h LEU 45 N 0.37 -0.28 -1.37 1.33 3.38 -0.95 -2.22 115.31 115.56 2pnk h LEU 45 Ca -0.08 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2pnk h LEU 45 Cb 1.53 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 2pnk h LEU 45 CO 0.17 -0.11 -0.18 -0.07 0.09 0.00 0.00 178.44 178.34 2pnk h LEU 46 N -0.05 0.00 -2.74 1.67 3.38 -0.98 -2.96 115.31 113.63 2pnk h LEU 46 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2pnk h LEU 46 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2pnk h LEU 46 CO -0.25 0.18 0.00 0.35 0.09 0.00 0.00 178.44 178.82 2pnk n THR 47 N -3.43 0.96 -1.52 0.22 -2.24 -0.91 -4.72 114.28 102.64 2pnk n THR 47 Ca -0.00 -0.98 -0.48 0.00 -2.27 0.00 0.00 64.05 60.32 2pnk n THR 47 Cb 0.37 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 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 1.39 0.64 0.30 4.78 9.36 -0.85 -4.74 117.16 128.05 2pnk n TYR 48 Ca 0.21 0.82 0.18 0.00 3.32 0.00 0.00 57.90 62.43 2pnk n TYR 48 Cb 0.58 -2.15 0.97 0.00 -0.63 0.00 0.00 39.34 38.11 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 2.12 0.00 -0.95 2.98 2.07 -1.92 0.18 115.15 119.63 2pnk h HIS 49 Ca -0.38 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.16 2pnk h HIS 49 Cb 1.38 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.31 2pnk h HIS 49 CO 0.48 0.03 0.63 1.88 -3.07 0.00 0.00 177.93 177.88 2pnk h TYR 50 N 0.00 1.18 0.00 6.12 -1.99 -1.95 -1.72 116.97 118.61 2pnk h TYR 50 Ca -0.00 0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.63 2pnk h TYR 50 Cb 0.14 -0.40 -0.02 0.00 2.00 0.00 0.00 36.73 38.45 2pnk h TYR 50 CO 0.00 0.73 -0.59 -0.07 -0.00 0.00 0.00 178.16 178.23 2pnk h LEU 51 N 1.26 0.00 -0.36 3.88 3.38 -1.27 -2.80 115.31 119.40 2pnk h LEU 51 Ca 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 2pnk h LEU 51 Cb -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2pnk h LEU 51 CO -0.09 0.59 0.13 0.58 0.09 0.00 0.00 178.44 179.75 2pnk h VAL 52 N 0.00 1.20 -0.60 1.22 2.07 -1.09 0.17 116.25 119.22 2pnk h VAL 52 Ca -0.01 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 66.96 2pnk h VAL 52 Cb 1.40 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 32.05 2pnk h VAL 52 CO 0.08 0.22 0.25 0.00 0.02 0.00 0.00 177.57 178.14 2pnk h ALA 53 N 0.97 0.78 -0.17 1.67 0.00 -1.33 -2.85 119.26 118.33 2pnk h ALA 53 Ca 0.12 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.89 2pnk h ALA 53 Cb 0.22 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2pnk h ALA 53 CO -0.01 -0.15 -0.72 0.93 0.00 0.00 0.00 179.25 179.31 2pnk h GLU 54 N 0.46 0.74 -2.18 0.00 5.08 -1.21 -3.25 114.58 114.21 2pnk h GLU 54 Ca 0.29 -0.57 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 2pnk h GLU 54 Cb 0.32 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2pnk h GLU 54 CO -0.27 1.18 0.02 1.55 -1.00 0.00 0.00 179.01 180.50 2pnk n VAL 55 N -3.93 1.14 0.00 3.13 3.14 0.57 -3.93 118.33 118.44 2pnk n VAL 55 Ca -0.06 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.91 2pnk n VAL 55 Cb 0.71 -1.41 0.00 0.00 -1.06 0.00 0.00 33.84 32.08 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 2.10 0.00 -0.03 1.45 1.74 -1.23 -1.40 116.66 119.29 2pnk n ARG 57 Ca 0.07 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.10 2pnk n ARG 57 Cb 0.31 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.73 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 -2.84 -1.55 5.03 -1.25 -5.08 117.44 111.75 2pnk n TRP 58 Ca 0.00 0.00 -0.33 0.00 3.03 0.00 0.00 57.50 60.20 2pnk n TRP 58 Cb 0.00 -0.22 -0.07 0.00 -1.03 0.00 0.00 31.31 29.99 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 -2.11 4.39 -0.84 -0.99 -1.32 -0.49 -4.96 115.64 109.31 2pnk s THR 59 Ca -0.08 1.50 0.27 0.00 -1.21 0.00 0.00 61.69 62.16 2pnk s THR 59 Cb 0.03 -3.65 0.24 0.00 -1.51 0.00 0.00 72.50 67.60 2pnk s THR 59 CO 0.12 -0.26 1.78 0.47 -2.21 0.00 0.00 174.62 174.53 2pnk n ASP 60 N -0.48 0.48 -4.72 8.08 8.00 -1.26 -4.85 116.55 121.79 2pnk n ASP 60 Ca 0.06 0.47 -0.42 0.00 0.71 0.00 0.00 54.79 55.61 2pnk n ASP 60 Cb 0.53 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 2pnk n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pnk s VAL 61 N -3.06 2.61 0.65 2.53 1.01 -1.26 -4.99 120.40 117.88 2pnk s VAL 61 Ca 0.12 0.46 -0.15 0.00 0.00 0.00 0.00 61.98 62.41 2pnk s VAL 61 Cb 0.15 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 2pnk s VAL 61 CO 0.59 0.04 1.08 -0.94 0.00 0.00 0.00 175.10 175.88 2pnk s SER 62 N 0.95 5.34 0.43 3.32 1.04 -1.26 -4.84 113.70 118.68 2pnk s SER 62 Ca 0.67 1.88 0.09 0.00 0.48 0.00 0.00 55.95 59.07 2pnk s SER 62 Cb -0.43 -2.54 0.93 0.00 0.10 0.00 0.00 66.02 64.08 2pnk s SER 62 CO 0.34 -1.47 2.07 -0.29 0.98 0.00 0.00 173.24 174.88 2pnk h ILE 63 N 0.04 1.08 -0.18 -1.02 6.09 -1.97 0.17 117.51 121.72 2pnk h ILE 63 Ca -0.46 -0.16 -0.06 0.00 -1.37 0.00 0.00 64.86 62.80 2pnk h ILE 63 Cb 1.23 0.57 -0.00 0.00 0.47 0.00 0.00 36.82 39.08 2pnk h ILE 63 CO 0.55 0.09 -0.14 -0.33 -3.07 0.00 0.00 178.15 175.25 2pnk h GLU 64 N 0.47 0.41 -0.62 2.19 3.07 -1.93 -2.13 114.58 116.05 2pnk h GLU 64 Ca 0.14 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 2pnk h GLU 64 Cb -0.02 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 2pnk h GLU 64 CO -0.03 0.75 0.16 0.00 -1.40 0.00 0.00 179.01 178.48 2pnk h ALA 65 N 0.66 1.11 -0.16 3.43 0.00 -1.82 -1.53 119.26 120.94 2pnk h ALA 65 Ca 0.03 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2pnk h ALA 65 Cb 0.65 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2pnk h ALA 65 CO 0.04 0.60 0.00 0.35 0.00 0.00 0.00 179.25 180.24 2pnk h PHE 66 N 0.92 -0.01 0.00 0.00 3.57 -0.58 -2.36 116.94 118.48 2pnk h PHE 66 Ca 0.20 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2pnk h PHE 66 Cb 0.32 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 2pnk h PHE 66 CO 0.02 -0.02 -0.06 -1.49 -2.23 0.00 0.00 178.31 174.53 2pnk h TRP 67 N 0.05 0.00 0.00 0.41 -0.00 -1.17 -3.45 115.95 111.80 2pnk h TRP 67 Ca 0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 58.89 58.75 2pnk h TRP 67 Cb 0.09 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 29.20 2pnk h TRP 67 CO -0.16 0.06 0.27 0.00 -0.00 0.00 0.00 178.44 178.61 2pnk n ALA 68 N -2.13 5.71 -2.79 1.49 0.00 -0.60 -5.08 120.51 117.12 2pnk n ALA 68 Ca 0.00 -1.76 -0.21 0.00 0.00 0.00 0.00 53.44 51.48 2pnk n ALA 68 Cb 0.34 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 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 5.85 0.27 0.00 1.04 -1.26 -5.08 113.70 116.74 2pnk s SER 70 Ca 0.57 -0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.84 2pnk s SER 70 Cb 0.25 -1.49 0.48 0.00 0.10 0.00 0.00 66.02 65.36 2pnk s SER 70 CO -0.01 -0.15 1.85 0.50 0.98 0.00 0.00 173.24 176.42 2pnk h LYS 71 N 1.25 1.01 -0.28 4.02 1.63 -1.98 -0.22 116.57 122.02 2pnk h LYS 71 Ca -0.49 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.20 2pnk h LYS 71 Cb 1.24 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 2pnk h LYS 71 CO 0.59 0.67 -0.03 -0.09 -3.45 0.00 0.00 179.45 177.15 2pnk h ARG 72 N 1.04 0.51 -0.68 1.90 2.43 -1.99 -1.70 114.38 115.89 2pnk h ARG 72 Ca 0.46 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 2pnk h ARG 72 Cb 0.35 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2pnk h ARG 72 CO -0.23 0.68 0.45 0.93 -1.51 0.00 0.00 179.97 180.30 2pnk h GLU 73 N 0.28 0.90 0.01 0.20 5.08 -1.88 -0.29 114.58 118.87 2pnk h GLU 73 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2pnk h GLU 73 Cb 0.47 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2pnk h GLU 73 CO 0.02 0.59 -0.02 1.96 -1.00 0.00 0.00 179.01 180.56 2pnk h GLN 74 N 0.92 -0.05 -0.80 2.33 4.20 -0.93 -1.47 115.11 119.31 2pnk h GLN 74 Ca 0.25 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.99 2pnk h GLN 74 Cb -0.11 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 2pnk h GLN 74 CO -0.05 -0.03 0.51 0.00 -0.67 0.00 0.00 178.83 178.59 2pnk h ALA 75 N 0.94 1.05 -0.18 3.87 0.00 -0.92 -1.30 119.26 122.72 2pnk h ALA 75 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pnk h ALA 75 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2pnk h ALA 75 CO -0.01 0.34 0.12 -0.44 0.00 0.00 0.00 179.25 179.25 2pnk h ASP 76 N 1.00 0.21 -0.16 0.00 3.32 -0.86 -0.11 116.42 119.83 2pnk h ASP 76 Ca 0.32 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.36 2pnk h ASP 76 Cb 0.00 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2pnk h ASP 76 CO -0.11 0.17 0.06 0.25 -1.72 0.00 0.00 179.24 177.89 2pnk h LEU 77 N 0.24 0.08 -0.66 1.55 5.85 -0.96 -1.18 115.31 120.23 2pnk h LEU 77 Ca 0.07 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2pnk h LEU 77 Cb -0.01 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2pnk h LEU 77 CO -0.01 0.07 0.28 0.40 -0.34 0.00 0.00 178.44 178.83 2pnk h ILE 78 N 0.15 1.24 0.25 4.05 2.04 -1.10 0.48 117.51 124.62 2pnk h ILE 78 Ca 0.07 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2pnk h ILE 78 Cb 0.03 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2pnk h ILE 78 CO -0.06 0.29 -0.16 -0.25 0.00 0.00 0.00 178.15 177.97 2pnk h TRP 79 N 0.93 -0.41 -0.35 1.37 2.91 -0.83 -0.71 115.95 118.87 2pnk h TRP 79 Ca 0.22 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.26 2pnk h TRP 79 Cb 0.19 0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.96 2pnk h TRP 79 CO 0.01 -0.24 0.18 1.49 -1.03 0.00 0.00 178.44 178.85 2pnk h GLU 80 N -0.39 0.36 -0.03 2.65 4.57 -0.96 -0.08 114.58 120.70 2pnk h GLU 80 Ca -0.02 -0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 57.91 2pnk h GLU 80 Cb 0.33 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2pnk h GLU 80 CO 0.02 0.24 -0.89 0.93 -1.18 0.00 0.00 179.01 178.13 2pnk h GLU 81 N 0.37 0.49 0.00 1.92 4.39 -0.81 -0.30 114.58 120.64 2pnk h GLU 81 Ca 0.15 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2pnk h GLU 81 Cb 0.05 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2pnk h GLU 81 CO -0.09 1.12 -1.52 1.28 -1.16 0.00 0.00 179.01 178.64 2pnk n LEU 82 N -3.80 0.14 -0.06 1.33 4.77 -0.28 -3.83 117.00 115.26 2pnk n LEU 82 Ca -0.07 -0.10 -0.08 0.00 -0.03 0.00 0.00 56.01 55.74 2pnk n LEU 82 Cb 0.80 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.83 2pnk n LEU 82 CO 0.51 0.03 -0.89 0.49 -1.33 0.00 0.00 177.39 176.20 2pnk n PHE 83 N -1.91 0.00 -0.08 -1.77 3.01 -0.08 -3.35 117.46 113.28 2pnk n PHE 83 Ca -0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.22 2pnk n PHE 83 Cb 0.37 -0.47 -0.12 0.00 -0.01 0.00 0.00 39.48 39.25 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 -2.80 1.60 0.20 4.37 2.08 -0.98 -4.38 119.36 119.45 2pnk n ILE 84 Ca -0.21 -0.39 0.11 0.00 0.56 0.00 0.00 62.75 62.82 2pnk n ILE 84 Cb 0.74 -1.80 0.13 0.00 -0.75 0.00 0.00 39.64 37.96 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 -0.50 0.00 -3.87 0.38 1.57 -1.22 -3.45 116.57 109.48 2pnk h LYS 85 Ca -0.49 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.16 2pnk h LYS 85 Cb 1.70 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.83 2pnk h LYS 85 CO -0.15 0.04 -0.57 1.03 -0.57 0.00 0.00 179.45 179.24 2pnk s ARG 86 N -3.21 0.55 0.32 3.15 3.00 -1.25 -5.04 118.95 116.47 2pnk s ARG 86 Ca 0.06 -0.78 -0.29 0.00 0.00 0.00 0.00 55.73 54.72 2pnk s ARG 86 Cb 0.06 0.21 -0.10 0.00 0.00 0.00 0.00 34.95 35.12 2pnk s ARG 86 CO 0.69 -0.13 1.20 -1.12 0.00 0.00 0.00 175.30 175.95 2pnk s SER 87 N -2.11 6.97 -1.58 0.23 0.01 -1.26 -3.59 113.70 112.35 2pnk s SER 87 Ca -0.05 2.47 -0.11 0.00 1.31 0.00 0.00 55.95 59.57 2pnk s SER 87 Cb -0.01 -2.64 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 2pnk s SER 87 CO -0.05 -0.38 2.78 -0.81 0.41 0.00 0.00 173.24 175.20 2pnk n PRO 88 N 0.89 3.50 0.11 12.44 -0.04 -1.21 -4.66 135.00 146.04 2pnk n PRO 88 Ca -0.00 -2.31 0.12 0.00 -0.04 0.00 0.00 63.50 61.27 2pnk n PRO 88 Cb 0.44 -2.92 0.20 0.00 -0.04 0.00 0.00 33.50 31.17 2pnk n PRO 88 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2pnk h VAL 89 N 3.25 0.00 -4.23 0.52 -1.51 -1.90 -3.18 116.25 109.20 2pnk h VAL 89 Ca 0.80 -0.68 -0.52 0.00 -1.23 0.00 0.00 66.70 65.06 2pnk h VAL 89 Cb 0.37 1.44 0.16 0.00 -2.13 0.00 0.00 31.29 31.13 2pnk h VAL 89 CO 1.81 0.00 0.33 -0.94 -1.23 0.00 0.00 177.57 177.54 2pnk s SER 90 N -4.91 3.91 0.23 4.19 1.04 -1.26 -4.72 113.70 112.18 2pnk s SER 90 Ca 0.06 2.20 -0.07 0.00 0.48 0.00 0.00 55.95 58.62 2pnk s SER 90 Cb 0.11 -2.57 0.25 0.00 0.10 0.00 0.00 66.02 63.90 2pnk s SER 90 CO 0.69 -2.45 1.89 -0.08 0.98 0.00 0.00 173.24 174.28 2pnk h GLU 91 N -0.89 1.11 -0.49 4.02 4.57 -1.97 -0.18 114.58 120.75 2pnk h GLU 91 Ca -0.45 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 57.59 2pnk h GLU 91 Cb 1.27 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.59 2pnk h GLU 91 CO 0.48 0.74 0.06 0.00 -1.18 0.00 0.00 179.01 179.10 2pnk h ALA 92 N 1.35 0.66 0.05 2.92 0.00 -1.95 -0.68 119.26 121.60 2pnk h ALA 92 Ca 0.34 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2pnk h ALA 92 Cb -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2pnk h ALA 92 CO -0.10 0.41 -0.03 0.00 0.00 0.00 0.00 179.25 179.54 2pnk h ARG 94 N -0.38 0.38 -0.95 0.00 2.43 -1.01 -1.80 114.38 113.05 2pnk h ARG 94 Ca -0.01 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2pnk h ARG 94 Cb 0.34 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 2pnk h ARG 94 CO 0.01 0.25 0.61 0.78 -1.51 0.00 0.00 179.97 180.12 2pnk h GLY 95 N 0.39 1.39 0.93 2.80 0.00 -0.89 -0.86 103.07 106.83 2pnk h GLY 95 Ca 0.48 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.37 2pnk h GLY 95 CO -0.48 0.38 0.60 -2.08 0.00 0.00 0.00 176.54 174.96 2pnk h VAL 96 N 1.18 1.19 -0.32 4.60 2.07 -1.10 -0.75 116.25 123.11 2pnk h VAL 96 Ca 0.38 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 2pnk h VAL 96 Cb 0.04 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 2pnk h VAL 96 CO -0.13 0.22 -0.18 -0.07 0.02 0.00 0.00 177.57 177.42 2pnk h LEU 97 N 1.19 0.72 -0.70 2.57 3.38 -1.04 -1.98 115.31 119.44 2pnk h LEU 97 Ca 0.35 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2pnk h LEU 97 Cb -0.06 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 2pnk h LEU 97 CO -0.10 0.98 0.41 0.74 0.09 0.00 0.00 178.44 180.56 2pnk h THR 98 N 0.46 0.99 -0.05 0.22 2.02 -0.88 -0.69 112.91 114.99 2pnk h THR 98 Ca 0.07 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.01 2pnk h THR 98 Cb 0.73 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2pnk h THR 98 CO 0.05 0.14 -0.06 0.00 0.37 0.00 0.00 175.52 176.02 2pnk h LEU 100 N -0.09 0.63 -0.39 0.00 3.38 -1.05 -2.39 115.31 115.40 2pnk h LEU 100 Ca 0.04 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2pnk h LEU 100 Cb 0.15 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2pnk h LEU 100 CO -0.10 0.61 0.15 -0.61 0.09 0.00 0.00 178.44 178.58 2pnk h GLN 101 N 0.60 0.30 -0.19 1.13 4.15 -1.02 -0.38 115.11 119.71 2pnk h GLN 101 Ca 0.16 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 2pnk h GLN 101 Cb 0.17 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2pnk h GLN 101 CO -0.01 0.20 0.10 0.78 -1.93 0.00 0.00 178.83 177.97 2pnk h GLY 102 N 0.31 0.27 0.37 2.39 0.00 -0.72 -0.96 103.07 104.73 2pnk h GLY 102 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2pnk h GLY 102 CO -0.18 0.10 0.00 1.04 0.00 0.00 0.00 176.54 177.51 2pnk n LEU 103 N -4.49 0.62 0.00 3.11 4.77 -0.94 -4.90 117.00 115.18 2pnk n LEU 103 Ca -0.00 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2pnk n LEU 103 Cb 0.09 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2pnk n LEU 103 CO 0.35 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2pnk n GLY 104 N 1.06 0.56 3.61 -0.72 0.00 -0.36 -5.04 105.19 104.30 2pnk n GLY 104 Ca 0.22 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.41 0.99 1.43 -0.19 -5.00 118.68 119.54 2pnk s LEU 105 Ca 0.00 0.19 -0.26 0.00 -1.03 0.00 0.00 54.13 53.03 2pnk s LEU 105 Cb 0.00 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.94 2pnk s LEU 105 CO 0.00 -0.11 0.94 -0.62 0.23 0.00 0.00 176.35 176.79 2pnk s ASP 106 N 1.59 6.60 0.37 2.29 2.15 -1.26 -3.06 116.67 125.35 2pnk s ASP 106 Ca 0.12 0.38 0.26 0.00 0.43 0.00 0.00 52.55 53.74 2pnk s ASP 106 Cb -0.16 -2.46 1.30 0.00 -0.30 0.00 0.00 42.92 41.30 2pnk s ASP 106 CO 0.10 -0.96 1.80 -0.65 -0.17 0.00 0.00 175.17 175.28 2pnk h PRO 107 N 8.78 0.00 -0.90 4.34 0.11 -1.90 -3.03 132.00 139.40 2pnk h PRO 107 Ca -0.24 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.92 2pnk h PRO 107 Cb 1.08 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 2pnk h PRO 107 CO 1.01 0.00 0.59 0.00 -0.21 0.00 0.00 178.00 179.39 2pnk h ALA 108 N 2.08 1.45 0.00 -0.75 0.00 -2.01 -2.83 119.26 117.20 2pnk h ALA 108 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pnk h ALA 108 Cb 0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2pnk h ALA 108 CO 0.00 0.45 -0.00 1.79 0.00 0.00 0.00 179.25 181.49 2pnk h THR 109 N 1.10 0.01 -2.87 0.00 1.35 -1.96 -3.47 112.91 107.07 2pnk h THR 109 Ca 0.36 -0.92 -0.28 0.00 -0.55 0.00 0.00 66.41 65.02 2pnk h THR 109 Cb 0.06 1.92 -0.05 0.00 -1.73 0.00 0.00 68.15 68.35 2pnk h THR 109 CO -0.12 0.00 -0.32 0.54 -0.25 0.00 0.00 175.52 175.38 2pnk n ARG 110 N -3.10 -1.84 -2.87 4.72 1.74 -1.07 -4.87 116.66 109.38 2pnk n ARG 110 Ca 0.03 0.72 -0.44 0.00 -0.77 0.00 0.00 57.85 57.40 2pnk n ARG 110 Cb 0.49 -5.21 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 -1.40 5.25 -0.21 0.55 -0.08 -1.26 -4.82 116.55 114.59 2pnk n ASP 111 Ca -0.15 -3.01 0.12 0.00 -1.51 0.00 0.00 54.79 50.23 2pnk n ASP 111 Cb 0.56 -1.54 0.42 0.00 2.34 0.00 0.00 41.12 42.91 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 9.09 0.55 -0.72 -2.67 5.85 -1.98 -1.31 115.31 124.12 2pnk h LEU 112 Ca 0.32 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.97 2pnk h LEU 112 Cb 0.82 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2pnk h LEU 112 CO 1.30 0.30 -0.03 1.56 -0.34 0.00 0.00 178.44 181.23 2pnk h GLN 113 N 0.59 0.95 -0.41 1.25 1.08 -2.00 -1.67 115.11 114.90 2pnk h GLN 113 Ca 0.38 -0.30 -0.13 0.00 -1.45 0.00 0.00 58.65 57.15 2pnk h GLN 113 Cb 0.67 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 2pnk h GLN 113 CO -0.15 0.96 -0.27 0.28 -0.95 0.00 0.00 178.83 178.69 2pnk h VAL 114 N 0.87 1.27 -0.66 -0.54 2.07 -1.68 -2.73 116.25 114.84 2pnk h VAL 114 Ca 0.15 -1.43 0.05 0.00 0.82 0.00 0.00 66.70 66.30 2pnk h VAL 114 Cb 0.55 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 2pnk h VAL 114 CO 0.03 0.48 0.38 1.88 0.02 0.00 0.00 177.57 180.36 2pnk h TYR 115 N 0.74 0.70 -0.63 1.57 0.05 -1.08 -1.69 116.97 116.64 2pnk h TYR 115 Ca 0.09 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.93 2pnk h TYR 115 Cb 0.83 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.31 2pnk h TYR 115 CO 0.05 0.35 0.42 0.00 -1.05 0.00 0.00 178.16 177.93 2pnk h ARG 116 N 0.71 0.69 -0.23 4.88 3.08 -1.13 -2.50 114.38 119.89 2pnk h ARG 116 Ca 0.29 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 2pnk h ARG 116 Cb 0.14 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2pnk h ARG 116 CO -0.16 0.46 -0.14 0.93 -1.07 0.00 0.00 179.97 179.99 2pnk h GLU 117 N 0.71 0.39 -0.29 0.04 5.08 -1.00 -2.41 114.58 117.10 2pnk h GLU 117 Ca 0.26 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2pnk h GLU 117 Cb 0.12 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 2pnk h GLU 117 CO -0.07 0.53 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.52 2pnk h TYR 118 N 0.36 -0.07 -0.09 4.33 5.03 -1.35 -2.89 116.97 122.29 2pnk h TYR 118 Ca 0.07 0.02 -0.16 0.00 2.58 0.00 0.00 58.73 61.24 2pnk h TYR 118 Cb 0.46 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.81 2pnk h TYR 118 CO 0.01 -0.08 -0.63 0.74 -1.32 0.00 0.00 178.16 176.88 2pnk h PHE 119 N 0.05 0.43 0.00 -3.82 0.04 -1.51 -2.89 116.94 109.24 2pnk h PHE 119 Ca 0.14 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 2pnk h PHE 119 Cb 0.20 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 2pnk h PHE 119 CO -0.24 0.87 -0.03 0.00 -0.60 0.00 0.00 178.31 178.31 2pnk h ALA 120 N 1.09 1.17 0.00 2.45 0.00 -1.24 -2.65 119.26 120.08 2pnk h ALA 120 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pnk h ALA 120 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2pnk h ALA 120 CO 0.10 0.03 -0.07 1.63 0.00 0.00 0.00 179.25 180.95 2pnk n LYS 121 N -3.36 0.06 -4.41 0.00 5.02 -1.09 -4.94 118.16 109.43 2pnk n LYS 121 Ca -0.02 0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 56.07 2pnk n LYS 121 Cb 0.14 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.48 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 -3.03 1.80 0.48 1.97 1.02 -1.00 -5.14 119.74 115.84 2pnk s LYS 122 Ca 0.13 -1.62 -0.03 0.00 0.02 0.00 0.00 55.97 54.47 2pnk s LYS 122 Cb 0.17 -1.89 -0.02 0.00 -0.52 0.00 0.00 37.83 35.58 2pnk s LYS 122 CO 0.57 0.36 0.74 0.95 -0.92 0.00 0.00 175.35 177.04 2pnk s THR 123 N -2.27 4.39 0.21 2.17 -4.23 -1.26 -4.97 115.64 109.67 2pnk s THR 123 Ca 0.28 -0.16 -0.10 0.00 -1.18 0.00 0.00 61.69 60.54 2pnk s THR 123 Cb -0.06 -3.66 0.14 0.00 1.34 0.00 0.00 72.50 70.26 2pnk s THR 123 CO 0.15 -0.56 1.75 0.28 -0.54 0.00 0.00 174.62 175.70 2pnk h SER 124 N 0.27 0.26 -0.64 3.99 0.02 -1.97 -1.76 113.55 113.72 2pnk h SER 124 Ca -0.47 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.48 2pnk h SER 124 Cb 1.23 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 2pnk h SER 124 CO 0.60 0.16 0.13 -0.33 -1.14 0.00 0.00 176.83 176.25 2pnk h GLU 125 N 0.43 1.06 -0.46 3.45 3.07 -1.94 -0.85 114.58 119.33 2pnk h GLU 125 Ca 0.30 -0.26 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 2pnk h GLU 125 Cb 0.35 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 2pnk h GLU 125 CO -0.28 0.95 -0.11 0.93 -1.40 0.00 0.00 179.01 179.10 2pnk h GLU 126 N 1.00 0.84 -0.22 2.33 5.08 -1.87 -2.25 114.58 119.48 2pnk h GLU 126 Ca 0.20 -0.28 -0.18 0.00 -1.00 0.00 0.00 59.36 58.10 2pnk h GLU 126 Cb 0.39 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2pnk h GLU 126 CO 0.01 0.91 -0.59 0.37 -1.00 0.00 0.00 179.01 178.70 2pnk h GLN 127 N 0.75 0.72 -0.50 2.33 5.75 -1.01 -1.45 115.11 121.71 2pnk h GLN 127 Ca 0.13 -0.48 0.03 0.00 -0.15 0.00 0.00 58.65 58.18 2pnk h GLN 127 Cb 0.61 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.18 2pnk h GLN 127 CO 0.04 1.10 0.27 0.28 -2.65 0.00 0.00 178.83 177.87 2pnk h VAL 128 N 0.54 1.00 -0.28 2.39 2.07 -1.08 0.38 116.25 121.27 2pnk h VAL 128 Ca 0.00 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2pnk h VAL 128 Cb 1.17 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2pnk h VAL 128 CO 0.12 0.10 0.18 0.44 0.02 0.00 0.00 177.57 178.42 2pnk h ASP 129 N 0.54 0.30 0.17 0.57 3.32 -1.21 -1.38 116.42 118.72 2pnk h ASP 129 Ca 0.21 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2pnk h ASP 129 Cb 0.08 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2pnk h ASP 129 CO -0.12 0.22 -0.08 0.74 -1.72 0.00 0.00 179.24 178.27 2pnk h THR 130 N 0.36 0.87 -0.39 0.35 2.02 -0.79 -2.37 112.91 112.97 2pnk h THR 130 Ca 0.11 -0.15 -0.15 0.00 0.77 0.00 0.00 66.41 66.99 2pnk h THR 130 Cb -0.03 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2pnk h THR 130 CO -0.03 0.03 -0.36 0.58 0.37 0.00 0.00 175.52 176.11 2pnk h VAL 131 N -0.30 1.27 -0.10 3.16 2.07 -0.16 -0.88 116.25 121.32 2pnk h VAL 131 Ca -0.02 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 65.89 2pnk h VAL 131 Cb 0.23 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2pnk h VAL 131 CO 0.04 0.51 -0.29 -0.07 0.02 0.00 0.00 177.57 177.78 2pnk h LEU 132 N 0.74 0.18 -0.03 2.57 3.38 -1.28 0.50 115.31 121.37 2pnk h LEU 132 Ca 0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2pnk h LEU 132 Cb 0.95 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2pnk h LEU 132 CO 0.09 0.47 -0.01 -0.61 0.09 0.00 0.00 178.44 178.47 2pnk h GLN 133 N 0.16 0.06 -0.45 1.13 4.15 -1.16 -1.25 115.11 117.74 2pnk h GLN 133 Ca 0.02 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.34 2pnk h GLN 133 Cb 0.60 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 2pnk h GLN 133 CO 0.04 0.40 -0.08 -0.07 -1.93 0.00 0.00 178.83 177.19 2pnk h LEU 134 N -0.29 0.77 0.00 -2.39 3.38 -0.94 -2.65 115.31 113.19 2pnk h LEU 134 Ca 0.01 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2pnk h LEU 134 Cb 0.37 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2pnk h LEU 134 CO 0.00 0.88 -0.10 0.00 0.09 0.00 0.00 178.44 179.32 2pnk n ALA 135 N -2.48 2.54 -3.64 1.53 0.00 0.15 -4.96 120.51 113.64 2pnk n ALA 135 Ca 0.02 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 2pnk n ALA 135 Cb 0.35 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.57 -2.28 -4.32 0.00 5.15 -0.57 -4.85 115.26 106.82 2pnk n ASN 136 Ca 0.07 -0.83 -0.35 0.00 -0.60 0.00 0.00 54.58 52.87 2pnk n ASN 136 Cb 0.35 -4.12 -0.14 0.00 -0.53 0.00 0.00 39.78 35.34 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 -3.61 3.34 -0.04 3.44 1.01 -0.60 -0.56 120.40 123.38 2pnk s VAL 137 Ca 0.11 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2pnk s VAL 137 Cb -0.03 -2.51 -0.24 0.00 0.00 0.00 0.00 36.38 33.60 2pnk s VAL 137 CO 0.81 0.44 0.69 0.77 0.00 0.00 0.00 175.10 177.80 2pnk h SER 138 N 7.96 0.16 -3.39 3.32 4.64 -0.97 -3.44 113.55 121.83 2pnk h SER 138 Ca -0.40 -0.30 -0.23 0.00 -0.47 0.00 0.00 61.79 60.38 2pnk h SER 138 Cb 1.16 -0.05 -0.31 0.00 -0.31 0.00 0.00 62.40 62.89 2pnk h SER 138 CO 0.60 1.26 -0.57 -1.81 -0.87 0.00 0.00 176.83 175.45 2pnk s ASP 139 N -6.50 -0.11 -0.10 4.97 1.01 -1.10 -4.74 116.67 110.10 2pnk s ASP 139 Ca -0.09 0.36 0.03 0.00 0.71 0.00 0.00 52.55 53.56 2pnk s ASP 139 Cb 0.08 0.25 -0.01 0.00 1.01 0.00 0.00 42.92 44.25 2pnk s ASP 139 CO 0.82 -0.16 -0.19 -0.69 0.21 0.00 0.00 175.17 175.16 2pnk s VAL 140 N 1.26 2.57 0.45 -1.27 1.01 0.18 -1.19 120.40 123.42 2pnk s VAL 140 Ca -0.09 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.13 2pnk s VAL 140 Cb -0.11 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.26 2pnk s VAL 140 CO -0.07 0.55 0.56 -0.69 0.00 0.00 0.00 175.10 175.45 2pnk s VAL 141 N 0.15 2.69 -0.22 2.92 1.01 -0.40 0.08 120.40 126.64 2pnk s VAL 141 Ca -0.10 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 60.75 2pnk s VAL 141 Cb -0.16 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.50 2pnk s VAL 141 CO 0.06 0.00 0.06 -0.89 0.00 0.00 0.00 175.10 174.33 2pnk s THR 143 N -2.46 0.39 -0.30 3.92 2.01 -0.85 -1.30 115.64 117.05 2pnk s THR 143 Ca 0.54 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.85 2pnk s THR 143 Cb -0.07 -1.04 0.03 0.00 0.01 0.00 0.00 72.50 71.43 2pnk s THR 143 CO 0.32 -0.35 0.05 0.20 -0.69 0.00 0.00 174.62 174.16 2pnk s ASN 144 N 1.90 5.03 -0.37 3.53 -0.87 -0.01 -4.95 114.94 119.20 2pnk s ASN 144 Ca 0.02 -0.99 -0.07 0.00 -1.57 0.00 0.00 52.86 50.26 2pnk s ASN 144 Cb -0.17 -1.81 0.06 0.00 -0.02 0.00 0.00 41.25 39.30 2pnk s ASN 144 CO -0.14 -0.24 0.16 -0.62 -2.57 0.00 0.00 177.10 173.69 2pnk s ASP 145 N 1.40 5.41 0.47 -1.22 -1.08 -1.26 -1.09 116.67 119.30 2pnk s ASP 145 Ca -0.01 -1.32 0.32 0.00 -0.52 0.00 0.00 52.55 51.03 2pnk s ASP 145 Cb -0.18 -1.90 1.60 0.00 -1.46 0.00 0.00 42.92 40.97 2pnk s ASP 145 CO 0.01 -0.41 1.97 -0.65 0.52 0.00 0.00 175.17 176.61 2pnk h PRO 146 N 8.26 0.00 -0.00 4.34 0.11 -1.98 -1.75 132.00 140.98 2pnk h PRO 146 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2pnk h PRO 146 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2pnk h PRO 146 CO 0.66 0.00 -0.18 1.19 -0.21 0.00 0.00 178.00 179.46 2pnk n PHE 147 N -2.68 0.00 -3.17 0.65 3.72 -1.26 -4.69 117.46 110.03 2pnk n PHE 147 Ca -0.01 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.95 2pnk n PHE 147 Cb 0.13 -0.23 -0.06 0.00 -0.94 0.00 0.00 39.48 38.38 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 -2.63 6.22 0.29 4.37 2.15 -0.66 -4.93 116.67 121.49 2pnk s ASP 148 Ca 0.23 -0.92 0.05 0.00 0.43 0.00 0.00 52.55 52.34 2pnk s ASP 148 Cb 0.19 -2.29 0.71 0.00 -0.30 0.00 0.00 42.92 41.24 2pnk s ASP 148 CO 0.52 -0.88 1.76 0.44 -0.17 0.00 0.00 175.17 176.84 2pnk h ASP 149 N 8.98 0.67 -0.38 -0.34 3.32 -1.87 0.30 116.42 127.10 2pnk h ASP 149 Ca -0.27 0.11 0.05 0.00 0.02 0.00 0.00 57.03 56.94 2pnk h ASP 149 Cb 1.10 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 2pnk h ASP 149 CO 0.96 0.21 0.26 0.78 -1.72 0.00 0.00 179.24 179.73 2pnk h ASN 150 N 0.67 0.25 0.06 6.45 2.35 -1.95 -2.56 115.58 120.85 2pnk h ASN 150 Ca 0.56 -0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.95 2pnk h ASN 150 Cb 0.90 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.18 2pnk h ASN 150 CO -0.41 0.16 -2.10 1.21 -1.65 0.00 0.00 177.43 174.65 2pnk n GLU 151 N -4.48 0.69 -0.29 0.81 2.13 -0.04 -4.40 120.64 115.06 2pnk n GLU 151 Ca 0.05 0.27 0.10 0.00 0.66 0.00 0.00 57.16 58.24 2pnk n GLU 151 Cb 0.25 -1.64 0.24 0.00 0.27 0.00 0.00 31.44 30.55 2pnk n GLU 151 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2pnk h ARG 152 N -0.20 0.13 -0.85 5.31 2.43 -0.38 -1.97 114.38 118.86 2pnk h ARG 152 Ca -0.49 -0.01 0.17 0.00 -0.81 0.00 0.00 59.98 58.84 2pnk h ARG 152 Cb 1.86 -0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 31.27 2pnk h ARG 152 CO -0.05 0.09 0.40 0.97 -1.51 0.00 0.00 179.97 179.87 2pnk h ILE 153 N 0.14 0.64 -0.68 1.20 6.09 -1.66 -0.95 117.51 122.28 2pnk h ILE 153 Ca 0.50 -0.18 -0.04 0.00 -1.37 0.00 0.00 64.86 63.77 2pnk h ILE 153 Cb 0.97 0.06 -0.03 0.00 0.47 0.00 0.00 36.82 38.30 2pnk h ILE 153 CO -0.70 0.10 0.26 0.28 -3.07 0.00 0.00 178.15 175.02 2pnk h SER 154 N 0.53 0.95 -0.08 2.19 0.02 -1.60 -0.49 113.55 115.08 2pnk h SER 154 Ca 0.49 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 2pnk h SER 154 Cb 0.78 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 2pnk h SER 154 CO -0.42 0.87 0.01 -0.50 -1.14 0.00 0.00 176.83 175.65 2pnk h TRP 155 N 0.97 0.14 0.00 3.45 4.06 -1.35 -2.53 115.95 120.68 2pnk h TRP 155 Ca 0.23 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.13 2pnk h TRP 155 Cb 0.23 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.35 2pnk h TRP 155 CO 0.02 0.36 -0.10 -0.07 -3.56 0.00 0.00 178.44 175.08 2pnk h LEU 156 N -0.12 0.00 0.00 -4.49 3.38 -0.98 0.82 115.31 113.92 2pnk h LEU 156 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2pnk h LEU 156 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2pnk h LEU 156 CO 0.00 0.10 0.00 -0.62 0.09 0.00 0.00 178.44 178.01 2pnk n GLU 157 N -4.37 0.50 -1.04 1.13 1.02 -0.21 -4.88 120.64 112.79 2pnk n GLU 157 Ca -0.03 0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 2pnk n GLU 157 Cb 0.18 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 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 0.19 0.49 3.77 0.62 0.00 0.28 -5.00 105.19 105.54 2pnk n GLY 158 Ca 0.13 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.03 4.29 0.03 1.61 1.02 -0.97 -5.04 119.74 119.65 2pnk s LYS 159 Ca 0.00 2.12 0.05 0.00 0.02 0.00 0.00 55.97 58.16 2pnk s LYS 159 Cb 0.00 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 2pnk s LYS 159 CO 0.00 -0.21 -0.10 -0.65 -0.92 0.00 0.00 175.35 173.47 2pnk s GLN 160 N -1.89 2.39 0.45 1.68 -1.52 -1.26 -4.67 119.66 114.84 2pnk s GLN 160 Ca 0.51 -0.82 -0.24 0.00 -1.95 0.00 0.00 55.36 52.85 2pnk s GLN 160 Cb -0.38 -2.40 -0.08 0.00 -0.22 0.00 0.00 33.01 29.94 2pnk s GLN 160 CO 0.50 0.57 1.29 -2.14 -0.25 0.00 0.00 175.29 175.26 2pnk s PRO 161 N -1.54 3.72 0.34 2.91 0.02 -1.26 -4.98 135.00 134.21 2pnk s PRO 161 Ca 0.17 2.10 -0.26 0.00 0.02 0.00 0.00 61.00 63.04 2pnk s PRO 161 Cb -0.11 -2.56 -0.13 0.00 0.02 0.00 0.00 34.50 31.71 2pnk s PRO 161 CO 0.08 -0.68 0.89 -3.47 -0.33 0.00 0.00 177.00 173.49 2pnk n ASP 162 N -0.28 0.70 0.04 2.53 -0.08 -1.26 -4.86 116.55 113.33 2pnk n ASP 162 Ca 0.06 1.09 0.05 0.00 -1.51 0.00 0.00 54.79 54.49 2pnk n ASP 162 Cb 0.45 -1.24 0.24 0.00 2.34 0.00 0.00 41.12 42.90 2pnk n ASP 162 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2pnk n SER 163 N 1.13 0.15 0.07 1.67 3.41 -1.26 -0.16 113.62 118.63 2pnk n SER 163 Ca 0.10 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 2pnk n SER 163 Cb 0.34 -0.58 0.47 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.68 0.18 -4.48 4.33 1.74 -1.26 -4.62 116.66 110.87 2pnk n ARG 164 Ca 0.01 0.16 -0.33 0.00 -0.77 0.00 0.00 57.85 56.92 2pnk n ARG 164 Cb 0.09 -1.71 -0.13 0.00 -1.02 0.00 0.00 32.46 29.69 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 -3.08 2.98 0.10 -1.55 0.40 0.77 -0.64 117.98 116.96 2pnk s PHE 165 Ca 0.11 -0.36 0.10 0.00 -0.60 0.00 0.00 56.93 56.18 2pnk s PHE 165 Cb 0.14 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.71 2pnk s PHE 165 CO 0.57 -0.06 -0.26 -1.01 0.70 0.00 0.00 175.22 175.15 2pnk s HIS 166 N 0.34 2.27 0.12 0.36 3.76 0.11 -4.69 115.29 117.57 2pnk s HIS 166 Ca -0.05 -0.39 -0.10 0.00 -0.15 0.00 0.00 55.06 54.37 2pnk s HIS 166 Cb -0.14 -1.27 -0.06 0.00 1.11 0.00 0.00 32.58 32.21 2pnk s HIS 166 CO 0.04 0.26 0.45 0.00 -0.85 0.00 0.00 174.74 174.63 2pnk s ALA 167 N -0.98 3.69 -0.03 -1.40 0.00 -1.26 -4.31 121.76 117.46 2pnk s ALA 167 Ca 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 2pnk s ALA 167 Cb -0.10 -2.32 0.03 0.00 0.00 0.00 0.00 23.12 20.73 2pnk s ALA 167 CO 0.05 0.55 0.04 0.00 0.00 0.00 0.00 175.76 176.40 2pnk s ALA 168 N -1.52 0.10 -0.41 0.00 0.00 -1.26 -1.24 121.76 117.44 2pnk s ALA 168 Ca 0.37 0.30 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 2pnk s ALA 168 Cb -0.13 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.67 2pnk s ALA 168 CO 0.20 -0.19 0.86 -1.17 0.00 0.00 0.00 175.76 175.45 2pnk s LEU 169 N 1.32 4.09 -0.13 0.00 2.96 -0.82 -0.83 118.68 125.26 2pnk s LEU 169 Ca -0.06 0.24 -0.20 0.00 -0.22 0.00 0.00 54.13 53.88 2pnk s LEU 169 Cb -0.13 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.41 2pnk s LEU 169 CO -0.03 -0.89 0.58 -0.60 -1.32 0.00 0.00 176.35 174.09 2pnk s ARG 170 N 3.42 4.33 -0.05 1.98 3.52 -0.25 0.47 118.95 132.37 2pnk s ARG 170 Ca 0.34 0.62 0.07 0.00 -0.13 0.00 0.00 55.73 56.63 2pnk s ARG 170 Cb -0.12 -3.48 0.11 0.00 -1.56 0.00 0.00 34.95 29.91 2pnk s ARG 170 CO 0.21 0.02 1.06 1.28 -0.81 0.00 0.00 175.30 177.06 2pnk n LEU 171 N 4.09 2.13 -0.23 -0.88 4.77 0.82 -4.51 117.00 123.19 2pnk n LEU 171 Ca -0.04 -2.42 0.02 0.00 -0.03 0.00 0.00 56.01 53.54 2pnk n LEU 171 Cb 0.51 -0.17 0.11 0.00 -2.33 0.00 0.00 43.42 41.54 2pnk n LEU 171 CO 0.44 0.58 0.79 0.44 -1.33 0.00 0.00 177.39 178.31 2pnk h ASP 172 N 0.00 -0.45 -0.62 -1.43 5.19 -1.93 -1.06 116.42 116.12 2pnk h ASP 172 Ca 0.00 0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.58 2pnk h ASP 172 Cb 0.70 0.36 -0.03 0.00 0.18 0.00 0.00 39.33 40.53 2pnk h ASP 172 CO 0.00 -0.18 0.32 -0.65 -3.12 0.00 0.00 179.24 175.61 2pnk h PRO 173 N 0.06 0.90 -0.16 3.56 0.11 -1.94 0.11 132.00 134.63 2pnk h PRO 173 Ca 0.35 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 66.31 2pnk h PRO 173 Cb 0.58 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 2pnk h PRO 173 CO -0.64 0.68 -0.09 1.25 -0.21 0.00 0.00 178.00 178.99 2pnk h LEU 174 N 0.90 0.36 0.21 2.35 5.85 -1.61 -2.58 115.31 120.79 2pnk h LEU 174 Ca 0.22 -0.43 -0.33 0.00 0.84 0.00 0.00 57.88 58.19 2pnk h LEU 174 Cb 0.07 -0.10 0.02 0.00 0.37 0.00 0.00 40.66 41.02 2pnk h LEU 174 CO -0.03 0.71 -1.52 -0.07 -0.34 0.00 0.00 178.44 177.18 2pnk h LEU 175 N 0.01 0.69 0.00 2.25 3.38 -1.13 -3.24 115.31 117.27 2pnk h LEU 175 Ca 0.03 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.19 2pnk h LEU 175 Cb 0.58 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2pnk h LEU 175 CO 0.03 1.66 -1.59 0.59 0.09 0.00 0.00 178.44 179.21 2pnk n ASN 176 N -3.63 0.40 -1.88 -0.43 3.02 0.36 -3.77 115.26 109.34 2pnk n ASN 176 Ca -0.18 -0.40 -0.01 0.00 -0.03 0.00 0.00 54.58 53.96 2pnk n ASN 176 Cb 1.08 1.59 0.06 0.00 -0.61 0.00 0.00 39.78 41.90 2pnk n ASN 176 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pnk n GLU 177 N -1.96 1.38 -0.24 3.52 1.02 -0.98 -4.94 120.64 118.44 2pnk n GLU 177 Ca -0.01 -3.04 0.02 0.00 -0.02 0.00 0.00 57.16 54.11 2pnk n GLU 177 Cb 0.47 -1.14 0.14 0.00 -0.02 0.00 0.00 31.44 30.90 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 1.71 0.56 -0.17 -0.32 3.20 -1.57 -0.39 116.97 119.99 2pnk h TYR 178 Ca -0.07 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 2pnk h TYR 178 Cb 1.49 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.61 2pnk h TYR 178 CO 0.48 0.16 0.04 1.49 -1.64 0.00 0.00 178.16 178.69 2pnk h GLU 179 N 0.53 0.24 0.10 1.82 4.57 -1.90 0.17 114.58 120.12 2pnk h GLU 179 Ca 0.36 -0.03 -0.30 0.00 -1.18 0.00 0.00 59.36 58.21 2pnk h GLU 179 Cb 0.43 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2pnk h GLU 179 CO -0.31 0.23 -1.50 1.96 -1.18 0.00 0.00 179.01 178.22 2pnk h GLN 180 N 0.24 0.22 -0.03 1.92 7.50 -1.62 -3.38 115.11 119.96 2pnk h GLN 180 Ca 0.06 -0.37 -0.17 0.00 0.50 0.00 0.00 58.65 58.67 2pnk h GLN 180 Cb 0.11 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.76 2pnk h GLN 180 CO -0.00 1.07 -0.73 1.15 -1.50 0.00 0.00 178.83 178.82 2pnk h THR 181 N 0.06 1.45 -0.77 -0.54 2.02 0.00 -3.27 112.91 111.86 2pnk h THR 181 Ca -0.23 -2.29 0.18 0.00 0.77 0.00 0.00 66.41 64.84 2pnk h THR 181 Cb 2.00 2.23 -0.14 0.00 -1.74 0.00 0.00 68.15 70.49 2pnk h THR 181 CO 0.16 0.67 -0.11 0.29 0.37 0.00 0.00 175.52 176.89 2pnk n LYS 182 N -3.76 -0.07 -0.03 6.66 5.02 0.50 -0.28 118.16 126.21 2pnk n LYS 182 Ca -0.03 1.18 -0.04 0.00 -2.02 0.00 0.00 58.31 57.40 2pnk n LYS 182 Cb 0.70 -1.80 0.19 0.00 -0.02 0.00 0.00 35.03 34.10 2pnk n LYS 182 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2pnk h HIS 183 N 0.00 0.65 -0.22 2.13 3.86 -1.81 -0.27 115.15 119.49 2pnk h HIS 183 Ca 0.41 -0.12 -0.17 0.00 -1.16 0.00 0.00 60.37 59.33 2pnk h HIS 183 Cb 0.71 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.02 2pnk h HIS 183 CO -0.51 0.72 -0.51 0.00 0.86 0.00 0.00 177.93 178.49 2pnk h ARG 184 N 0.53 0.74 -0.61 2.45 3.08 -0.83 -2.28 114.38 117.47 2pnk h ARG 184 Ca 0.09 -0.50 0.12 0.00 0.07 0.00 0.00 59.98 59.77 2pnk h ARG 184 Cb 0.59 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.61 2pnk h ARG 184 CO 0.04 1.12 0.06 -0.07 -1.07 0.00 0.00 179.97 180.05 2pnk h LEU 185 N 0.47 -0.14 -0.78 3.04 3.38 -0.64 -1.38 115.31 119.26 2pnk h LEU 185 Ca 0.00 0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2pnk h LEU 185 Cb 1.12 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 2pnk h LEU 185 CO 0.11 -0.06 0.20 0.03 0.09 0.00 0.00 178.44 178.81 2pnk h ARG 186 N 0.18 1.12 -0.38 1.13 3.08 -0.96 0.03 114.38 118.59 2pnk h ARG 186 Ca 0.32 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 60.14 2pnk h ARG 186 Cb 0.51 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2pnk h ARG 186 CO -0.47 0.97 0.25 -0.44 -1.07 0.00 0.00 179.97 179.21 2pnk h ASP 187 N 1.07 0.37 -0.14 7.04 3.32 -0.77 -0.90 116.42 126.41 2pnk h ASP 187 Ca 0.23 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2pnk h ASP 187 Cb 0.33 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2pnk h ASP 187 CO -0.00 0.26 0.00 0.79 -1.72 0.00 0.00 179.24 178.56 2pnk n TRP 188 N -4.48 0.19 -0.45 4.55 8.01 -0.59 -4.91 117.44 119.76 2pnk n TRP 188 Ca 0.03 -0.09 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 2pnk n TRP 188 Cb 0.13 0.00 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 0.99 0.75 3.46 6.99 0.00 -0.34 -5.02 105.19 112.02 2pnk n GLY 189 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.44 2.73 -1.38 1.61 2.02 -0.08 -4.95 117.35 114.86 2pnk s TYR 190 Ca 0.00 -0.46 -0.10 0.00 -0.37 0.00 0.00 57.07 56.14 2pnk s TYR 190 Cb 0.00 -4.19 0.09 0.00 -0.40 0.00 0.00 41.96 37.46 2pnk s TYR 190 CO 0.00 -1.54 2.22 1.63 -1.57 0.00 0.00 175.55 176.29 2pnk n LYS 191 N 7.51 3.66 -1.99 -0.62 4.76 -1.26 -3.03 118.16 127.19 2pnk n LYS 191 Ca -0.03 -3.11 -0.37 0.00 -2.87 0.00 0.00 58.31 51.92 2pnk n LYS 191 Cb 0.46 -2.93 0.02 0.00 -1.84 0.00 0.00 35.03 30.74 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 0.95 2.54 0.39 -0.18 -7.23 -1.26 -4.71 120.40 110.90 2pnk s VAL 192 Ca 0.49 0.39 0.03 0.00 -1.81 0.00 0.00 61.98 61.07 2pnk s VAL 192 Cb 0.14 -3.19 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 2pnk s VAL 192 CO -0.05 -0.02 0.57 0.20 -0.31 0.00 0.00 175.10 175.49 2pnk s ASN 193 N -1.25 5.92 0.25 4.85 0.01 -1.26 -4.97 114.94 118.48 2pnk s ASN 193 Ca 0.71 0.09 -0.05 0.00 -0.71 0.00 0.00 52.86 52.89 2pnk s ASN 193 Cb -0.34 -1.43 0.27 0.00 0.41 0.00 0.00 41.25 40.16 2pnk s ASN 193 CO 0.40 -0.56 1.85 0.44 -1.51 0.00 0.00 177.10 177.72 2pnk h ASP 194 N 0.64 1.04 -3.66 -1.22 3.32 -2.03 -3.42 116.42 111.09 2pnk h ASP 194 Ca -0.46 -0.11 -0.50 0.00 0.02 0.00 0.00 57.03 55.97 2pnk h ASP 194 Cb 1.25 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 2pnk h ASP 194 CO 0.56 0.86 0.05 -1.61 -1.72 0.00 0.00 179.24 177.38 2pnk s GLU 195 N -5.69 3.93 -0.95 3.56 0.41 -1.26 -5.01 118.70 113.69 2pnk s GLU 195 Ca -0.12 0.56 -0.21 0.00 -0.41 0.00 0.00 54.97 54.78 2pnk s GLU 195 Cb 0.17 -2.47 0.09 0.00 -1.78 0.00 0.00 34.13 30.13 2pnk s GLU 195 CO 0.82 0.17 1.27 -0.46 -0.49 0.00 0.00 175.26 176.57 2pnk s TRP 196 N -2.00 2.79 0.00 1.61 -0.11 -1.26 -4.66 118.94 115.31 2pnk s TRP 196 Ca 0.52 -1.03 0.00 0.00 1.22 0.00 0.00 56.10 56.81 2pnk s TRP 196 Cb -0.10 -4.49 0.00 0.00 -1.50 0.00 0.00 33.47 27.38 2pnk s TRP 196 CO 0.20 -1.73 0.00 0.27 -4.62 0.00 0.00 176.95 171.07 2pnk n ASN 197 N 7.82 0.89 -0.34 5.86 0.23 -1.26 -4.99 115.26 123.46 2pnk n ASN 197 Ca 0.26 -0.87 -0.00 0.00 -0.53 0.00 0.00 54.58 53.43 2pnk n ASN 197 Cb 0.50 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.33 2pnk n ASN 197 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2pnk h GLU 198 N 0.00 1.12 -0.54 -3.83 5.08 -1.99 -1.57 114.58 112.85 2pnk h GLU 198 Ca 0.00 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2pnk h GLU 198 Cb 0.00 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 2pnk h GLU 198 CO 0.00 0.74 0.04 0.78 -1.00 0.00 0.00 179.01 179.57 2pnk h GLY 199 N 1.15 0.97 0.84 -3.84 0.00 -1.95 -0.06 103.07 100.19 2pnk h GLY 199 Ca 0.38 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2pnk h GLY 199 CO -0.13 0.60 -0.09 1.76 0.00 0.00 0.00 176.54 178.68 2pnk h SER 200 N 0.84 0.49 -0.19 0.19 0.02 -1.70 -1.25 113.55 111.95 2pnk h SER 200 Ca 0.16 -0.39 0.04 0.00 -0.84 0.00 0.00 61.79 60.76 2pnk h SER 200 Cb 0.45 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 2pnk h SER 200 CO 0.02 0.77 -0.04 0.40 -1.14 0.00 0.00 176.83 176.84 2pnk h ILE 201 N 0.21 0.82 -0.48 3.27 2.04 -1.05 -1.11 117.51 121.21 2pnk h ILE 201 Ca 0.06 -0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 2pnk h ILE 201 Cb 0.57 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2pnk h ILE 201 CO 0.03 0.00 -0.13 1.56 0.00 0.00 0.00 178.15 179.61 2pnk h GLN 202 N 0.01 0.89 -0.12 2.37 1.08 -0.97 -1.45 115.11 116.92 2pnk h GLN 202 Ca 0.09 -0.32 -0.16 0.00 -1.45 0.00 0.00 58.65 56.81 2pnk h GLN 202 Cb 0.13 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2pnk h GLN 202 CO -0.19 0.96 -0.61 0.93 -0.95 0.00 0.00 178.83 178.98 2pnk h GLU 203 N 0.79 0.41 -0.38 1.46 4.39 -1.08 -0.67 114.58 119.51 2pnk h GLU 203 Ca 0.13 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 2pnk h GLU 203 Cb 0.65 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2pnk h GLU 203 CO 0.05 0.90 -0.14 0.28 -1.16 0.00 0.00 179.01 178.93 2pnk h VAL 204 N 0.31 1.28 -0.81 3.13 2.07 -1.05 -2.06 116.25 119.11 2pnk h VAL 204 Ca -0.01 -1.25 0.06 0.00 0.82 0.00 0.00 66.70 66.33 2pnk h VAL 204 Cb 1.15 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 2pnk h VAL 204 CO 0.11 0.41 0.49 0.11 0.02 0.00 0.00 177.57 178.71 2pnk h LYS 205 N 0.56 0.88 -0.81 1.57 1.57 -1.16 -1.43 116.57 117.75 2pnk h LYS 205 Ca 0.09 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2pnk h LYS 205 Cb 0.67 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 2pnk h LYS 205 CO 0.05 0.58 0.39 -0.09 -0.57 0.00 0.00 179.45 179.81 2pnk h ARG 206 N 0.90 1.16 -0.44 3.15 2.43 -0.86 0.10 114.38 120.82 2pnk h ARG 206 Ca 0.36 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2pnk h ARG 206 Cb 0.18 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2pnk h ARG 206 CO -0.18 0.89 0.25 0.35 -1.51 0.00 0.00 179.97 179.77 2pnk h PHE 207 N 1.15 0.60 0.10 2.20 3.57 -0.80 0.18 116.94 123.94 2pnk h PHE 207 Ca 0.28 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 2pnk h PHE 207 Cb 0.11 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2pnk h PHE 207 CO 0.01 0.44 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.42 2pnk h LEU 208 N 0.57 -0.12 -0.75 0.59 3.38 -0.83 -2.52 115.31 115.63 2pnk h LEU 208 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2pnk h LEU 208 Cb 0.04 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2pnk h LEU 208 CO -0.03 -0.07 0.48 0.74 0.09 0.00 0.00 178.44 179.66 2pnk h THR 209 N -0.16 1.20 -0.55 0.22 2.02 -0.59 0.15 112.91 115.20 2pnk h THR 209 Ca -0.01 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 66.81 2pnk h THR 209 Cb 0.12 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 2pnk h THR 209 CO 0.02 0.20 0.31 0.44 0.37 0.00 0.00 175.52 176.87 2pnk h ASP 210 N 1.02 0.48 0.66 4.18 3.32 -0.59 -1.35 116.42 124.15 2pnk h ASP 210 Ca 0.27 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.14 2pnk h ASP 210 Cb -0.09 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2pnk h ASP 210 CO -0.06 0.33 -0.89 -0.50 -1.72 0.00 0.00 179.24 176.41 2pnk h TRP 211 N 0.61 0.22 -0.63 4.55 4.06 -0.96 -1.61 115.95 122.19 2pnk h TRP 211 Ca 0.23 -0.13 0.02 0.00 2.06 0.00 0.00 58.89 61.07 2pnk h TRP 211 Cb 0.08 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.19 2pnk h TRP 211 CO -0.08 0.95 0.40 0.82 -3.56 0.00 0.00 178.44 176.98 2pnk h ILE 212 N 0.08 1.13 -0.17 1.49 2.04 -0.39 -2.63 117.51 119.06 2pnk h ILE 212 Ca -0.04 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 2pnk h ILE 212 Cb 1.52 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2pnk h ILE 212 CO 0.13 0.15 -0.41 -0.33 0.00 0.00 0.00 178.15 177.69 2pnk h GLU 213 N 0.81 0.38 0.00 2.37 5.08 -1.17 0.11 114.58 122.17 2pnk h GLU 213 Ca 0.24 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2pnk h GLU 213 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2pnk h GLU 213 CO -0.07 0.73 0.00 -2.13 -1.00 0.00 0.00 179.01 176.54 2pnk n ARG 214 N -4.02 0.65 0.00 2.33 3.00 -0.62 -5.05 116.66 112.95 2pnk n ARG 214 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 2pnk n ARG 214 Cb 0.50 -1.28 0.00 0.00 0.00 0.00 0.00 32.46 31.68 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 -0.78 0.00 -4.78 6.15 2.03 0.39 -5.10 116.55 114.46 2pnk n ASP 216 Ca 0.09 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.04 2pnk n ASP 216 Cb 0.04 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.42 2pnk n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2pnk s PRO 217 N 0.00 3.71 0.16 -0.67 0.04 -1.26 -4.58 135.00 132.40 2pnk s PRO 217 Ca 0.00 1.56 0.13 0.00 0.04 0.00 0.00 61.00 62.73 2pnk s PRO 217 Cb 0.00 -2.21 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 2pnk s PRO 217 CO 0.00 -0.55 1.17 -0.39 0.04 0.00 0.00 177.00 177.28 2pnk h VAL 218 N 1.62 0.95 0.00 -0.36 -1.51 -1.55 -3.48 116.25 111.91 2pnk h VAL 218 Ca -0.49 -2.47 0.00 0.00 -1.23 0.00 0.00 66.70 62.51 2pnk h VAL 218 Cb 1.24 2.41 0.00 0.00 -2.13 0.00 0.00 31.29 32.81 2pnk h VAL 218 CO 0.59 0.54 0.00 0.00 -1.23 0.00 0.00 177.57 177.47 2pnk n TYR 219 N -3.15 0.00 0.00 5.19 0.18 -1.26 -4.26 117.16 113.86 2pnk n TYR 219 Ca -0.03 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.75 2pnk n TYR 219 Cb 0.84 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.80 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 -3.23 -3.48 0.00 0.18 -1.95 120.51 109.03 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 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.00 0.03 -0.11 0.00 0.11 -0.71 -0.13 120.40 117.60 2pnk s VAL 222 Ca 0.00 -0.28 -0.06 0.00 -2.93 0.00 0.00 61.98 58.71 2pnk s VAL 222 Cb 0.00 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 2pnk s VAL 222 CO 0.00 -0.15 0.12 -0.44 -3.33 0.00 0.00 175.10 171.30 2pnk s SER 223 N -0.68 6.22 0.03 3.54 0.01 -1.26 -4.78 113.70 116.77 2pnk s SER 223 Ca -0.08 0.41 0.03 0.00 1.31 0.00 0.00 55.95 57.62 2pnk s SER 223 Cb -0.04 -1.98 -0.02 0.00 0.21 0.00 0.00 66.02 64.19 2pnk s SER 223 CO 0.03 0.40 -0.09 -0.76 0.41 0.00 0.00 173.24 173.22 2pnk s LEU 224 N -1.07 2.16 0.88 2.44 1.43 -1.26 -4.95 118.68 118.31 2pnk s LEU 224 Ca 0.16 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 2pnk s LEU 224 Cb -0.12 -0.33 0.12 0.00 0.03 0.00 0.00 46.19 45.89 2pnk s LEU 224 CO 0.05 -0.06 1.12 -2.16 0.23 0.00 0.00 176.35 175.53 2pnk s PRO 225 N -1.05 1.40 0.59 1.29 0.04 -1.25 -0.20 135.00 135.82 2pnk s PRO 225 Ca -0.03 0.46 0.31 0.00 0.04 0.00 0.00 61.00 61.77 2pnk s PRO 225 Cb -0.07 -1.85 1.82 0.00 0.04 0.00 0.00 34.50 34.43 2pnk s PRO 225 CO 0.00 -2.06 2.24 -1.35 0.04 0.00 0.00 177.00 175.87 2pnk h PRO 226 N -1.40 0.00 -0.48 0.56 0.11 -1.77 -1.53 132.00 127.49 2pnk h PRO 226 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pnk h PRO 226 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2pnk h PRO 226 CO 0.60 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.66 2pnk n THR 227 N -3.73 0.62 -1.67 -1.15 -2.24 -1.26 -3.95 114.28 100.90 2pnk n THR 227 Ca -0.03 -0.43 -0.48 0.00 -2.27 0.00 0.00 64.05 60.84 2pnk n THR 227 Cb 0.11 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 2pnk n THR 227 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2pnk n PHE 228 N 0.30 2.21 -4.25 4.78 7.35 -0.57 -5.00 117.46 122.27 2pnk n PHE 228 Ca 0.10 0.22 -0.18 0.00 -0.76 0.00 0.00 57.45 56.83 2pnk n PHE 228 Cb 0.37 -2.56 -0.13 0.00 0.35 0.00 0.00 39.48 37.52 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 2.10 1.53 -0.17 -2.13 0.01 -1.26 -4.67 113.70 109.11 2pnk s SER 229 Ca 0.85 -0.50 -0.12 0.00 1.31 0.00 0.00 55.95 57.49 2pnk s SER 229 Cb -0.73 -0.07 0.05 0.00 0.21 0.00 0.00 66.02 65.48 2pnk s SER 229 CO 0.45 -0.03 0.43 0.12 0.41 0.00 0.00 173.24 174.62 2pnk s PHE 230 N -1.01 -0.56 0.87 2.43 2.19 -1.26 -4.44 117.98 116.20 2pnk s PHE 230 Ca -0.01 1.26 -0.10 0.00 0.33 0.00 0.00 56.93 58.41 2pnk s PHE 230 Cb -0.09 0.23 0.12 0.00 -1.31 0.00 0.00 43.02 41.98 2pnk s PHE 230 CO 0.01 -0.30 1.13 -2.14 1.83 0.00 0.00 175.22 175.75 2pnk s PRO 231 N 0.90 1.39 -0.24 10.12 0.02 -1.26 -4.23 135.00 141.69 2pnk s PRO 231 Ca -0.05 1.40 -0.16 0.00 0.02 0.00 0.00 61.00 62.20 2pnk s PRO 231 Cb -0.06 -1.78 0.07 0.00 0.02 0.00 0.00 34.50 32.75 2pnk s PRO 231 CO -0.07 -2.33 0.62 -2.00 -0.33 0.00 0.00 177.00 172.89 2pnk s GLU 232 N -4.74 0.65 -1.30 5.54 2.12 -1.26 -5.05 118.70 114.66 2pnk s GLU 232 Ca 0.65 1.04 -0.13 0.00 0.36 0.00 0.00 54.97 56.89 2pnk s GLU 232 Cb -0.21 0.17 0.12 0.00 0.26 0.00 0.00 34.13 34.48 2pnk s GLU 232 CO 0.57 -0.13 1.81 0.39 -0.54 0.00 0.00 175.26 177.36 2pnk n GLU 233 N 3.85 3.32 -4.27 4.30 -0.58 -1.26 -3.96 120.64 122.03 2pnk n GLU 233 Ca -0.19 -3.37 -0.15 0.00 -0.42 0.00 0.00 57.16 53.02 2pnk n GLU 233 Cb 0.57 -3.13 -0.10 0.00 -0.57 0.00 0.00 31.44 28.21 2pnk n GLU 233 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2pnk s SER 234 N 2.45 0.89 0.21 1.62 1.04 -1.26 -5.02 113.70 113.63 2pnk s SER 234 Ca 0.44 -1.46 -0.09 0.00 0.48 0.00 0.00 55.95 55.33 2pnk s SER 234 Cb 0.06 0.33 0.17 0.00 0.10 0.00 0.00 66.02 66.69 2pnk s SER 234 CO -0.00 -0.84 1.86 0.78 0.98 0.00 0.00 173.24 176.02 2pnk h ASN 235 N 2.42 0.95 -0.17 7.02 2.35 -1.92 -1.45 115.58 124.79 2pnk h ASN 235 Ca -0.35 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2pnk h ASN 235 Cb 1.25 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 2pnk h ASN 235 CO 0.54 0.73 0.10 -0.09 -1.65 0.00 0.00 177.43 177.05 2pnk h ARG 236 N 1.09 0.23 -0.89 0.81 2.43 -1.91 -1.35 114.38 114.79 2pnk h ARG 236 Ca 0.29 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2pnk h ARG 236 Cb -0.06 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 2pnk h ARG 236 CO -0.06 0.20 0.51 0.78 -1.51 0.00 0.00 179.97 179.90 2pnk h GLY 237 N 0.18 1.32 1.07 2.80 0.00 -1.63 -1.40 103.07 105.41 2pnk h GLY 237 Ca 0.06 -0.58 -0.19 0.00 0.00 0.00 0.00 47.33 46.61 2pnk h GLY 237 CO -0.01 0.56 -0.64 3.21 0.00 0.00 0.00 176.54 179.66 2pnk h ARG 238 N 1.24 0.72 -0.58 4.80 3.08 -1.23 -1.70 114.38 120.72 2pnk h ARG 238 Ca 0.32 -0.56 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 2pnk h ARG 238 Cb 0.00 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2pnk h ARG 238 CO -0.05 1.18 0.14 0.82 -1.07 0.00 0.00 179.97 180.99 2pnk h ILE 239 N 0.43 1.25 -0.13 2.04 2.04 -1.03 -0.53 117.51 121.58 2pnk h ILE 239 Ca -0.03 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 2pnk h ILE 239 Cb 1.27 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2pnk h ILE 239 CO 0.14 0.33 0.07 0.40 0.00 0.00 0.00 178.15 179.08 2pnk h ILE 240 N 0.83 1.11 0.02 -0.67 2.04 -1.25 -0.65 117.51 118.94 2pnk h ILE 240 Ca 0.18 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2pnk h ILE 240 Cb 0.34 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2pnk h ILE 240 CO 0.00 0.10 -0.01 -0.09 0.00 0.00 0.00 178.15 178.15 2pnk h ARG 241 N 0.10 -0.03 0.00 2.37 2.43 -1.23 -0.99 114.38 117.03 2pnk h ARG 241 Ca 0.05 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 2pnk h ARG 241 Cb 0.10 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2pnk h ARG 241 CO -0.01 0.29 -1.24 -0.25 -1.51 0.00 0.00 179.97 177.25 2pnk n ASP 242 N -4.95 0.84 0.02 -3.80 8.00 -0.21 -4.48 116.55 111.97 2pnk n ASP 242 Ca -0.08 0.35 -0.00 0.00 0.71 0.00 0.00 54.79 55.76 2pnk n ASP 242 Cb 0.18 0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 -0.03 -0.07 -0.22 0.00 6.46 -1.14 -2.55 115.31 117.77 2pnk h LEU 244 Ca -0.01 -0.52 0.02 0.00 -0.12 0.00 0.00 57.88 57.24 2pnk h LEU 244 Cb 0.47 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 2pnk h LEU 244 CO -0.00 0.53 0.10 -0.07 -0.62 0.00 0.00 178.44 178.37 2pnk h LEU 245 N -0.72 0.14 -0.53 2.25 3.38 -1.41 0.32 115.31 118.75 2pnk h LEU 245 Ca -0.01 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2pnk h LEU 245 Cb 0.59 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 2pnk h LEU 245 CO 0.01 0.11 0.14 -0.65 0.09 0.00 0.00 178.44 178.15 2pnk h PRO 246 N 0.22 0.28 -0.42 1.13 0.11 -1.78 -0.60 132.00 130.94 2pnk h PRO 246 Ca 0.09 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.04 2pnk h PRO 246 Cb 0.03 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 2pnk h PRO 246 CO -0.07 0.19 -0.31 0.28 -0.21 0.00 0.00 178.00 177.88 2pnk h VAL 247 N 0.29 1.27 -0.64 3.15 2.07 -1.27 -1.39 116.25 119.74 2pnk h VAL 247 Ca 0.26 -1.47 0.02 0.00 0.82 0.00 0.00 66.70 66.33 2pnk h VAL 247 Cb 0.34 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2pnk h VAL 247 CO -0.31 0.50 0.41 0.00 0.02 0.00 0.00 177.57 178.18 2pnk h ALA 248 N 0.80 0.82 -0.22 1.67 0.00 -0.68 -1.52 119.26 120.13 2pnk h ALA 248 Ca 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2pnk h ALA 248 Cb 0.89 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2pnk h ALA 248 CO 0.08 0.19 -0.04 1.49 0.00 0.00 0.00 179.25 180.97 2pnk h GLU 249 N 0.81 0.41 -0.79 0.00 4.81 -1.01 0.13 114.58 118.95 2pnk h GLU 249 Ca 0.25 -0.15 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 2pnk h GLU 249 Cb -0.03 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 2pnk h GLU 249 CO -0.08 0.64 0.47 -0.22 -0.73 0.00 0.00 179.01 179.09 2pnk h LYS 250 N 0.15 0.82 -0.02 1.92 3.64 -0.99 -2.19 116.57 119.91 2pnk h LYS 250 Ca 0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2pnk h LYS 250 Cb 0.48 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2pnk h LYS 250 CO 0.02 0.55 -0.11 0.72 -2.27 0.00 0.00 179.45 178.35 2pnk n HIS 251 N -4.69 0.00 -3.69 1.91 8.25 -0.59 -4.97 115.22 111.43 2pnk n HIS 251 Ca 0.11 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.35 2pnk n HIS 251 Cb 0.18 -0.03 0.04 0.00 1.12 0.00 0.00 29.99 31.30 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 0.17 -1.67 -4.40 0.41 5.15 0.23 -5.00 115.26 110.16 2pnk n ASN 252 Ca 0.15 -0.79 -0.34 0.00 -0.60 0.00 0.00 54.58 53.00 2pnk n ASN 252 Cb 0.41 -4.16 -0.13 0.00 -0.53 0.00 0.00 39.78 35.37 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 -3.60 3.44 0.85 -1.44 1.01 0.05 -4.88 121.20 116.62 2pnk s ILE 253 Ca 0.07 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 2pnk s ILE 253 Cb -0.04 -2.50 0.10 0.00 0.01 0.00 0.00 42.46 40.04 2pnk s ILE 253 CO 0.80 0.49 1.11 -2.84 0.00 0.00 0.00 174.94 174.50 2pnk s PRO 254 N 0.66 1.63 -0.26 2.79 0.02 -1.26 -4.60 135.00 133.99 2pnk s PRO 254 Ca -0.04 1.26 -0.04 0.00 0.02 0.00 0.00 61.00 62.20 2pnk s PRO 254 Cb -0.15 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.56 2pnk s PRO 254 CO 0.02 -2.11 -0.01 0.12 -0.33 0.00 0.00 177.00 174.69 2pnk s PHE 255 N -2.80 3.07 0.38 6.54 5.36 -0.31 -4.58 117.98 125.64 2pnk s PHE 255 Ca 0.64 -1.20 0.01 0.00 -0.96 0.00 0.00 56.93 55.42 2pnk s PHE 255 Cb -0.19 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.33 2pnk s PHE 255 CO 0.57 -0.63 0.58 0.00 -1.46 0.00 0.00 175.22 174.28 2pnk s ALA 256 N 1.42 3.78 -0.30 11.12 0.00 -1.26 -1.21 121.76 135.31 2pnk s ALA 256 Ca 0.02 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 2pnk s ALA 256 Cb -0.16 -2.07 0.19 0.00 0.00 0.00 0.00 23.12 21.07 2pnk s ALA 256 CO -0.02 -0.15 1.27 0.42 0.00 0.00 0.00 175.76 177.28 2pnk s ILE 259 N -2.39 0.00 0.00 0.00 1.01 -0.59 -1.74 121.20 117.50 2pnk s ILE 259 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2pnk s ILE 259 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2pnk s ILE 259 CO 0.36 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2pnk n GLY 260 N 2.52 0.79 3.70 6.18 0.00 0.72 -0.66 105.19 118.44 2pnk n GLY 260 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 2pnk n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnk s VAL 261 N -1.61 4.99 -0.42 1.61 0.11 -1.08 -2.00 120.40 122.00 2pnk s VAL 261 Ca 0.00 1.55 -0.13 0.00 -2.93 0.00 0.00 61.98 60.47 2pnk s VAL 261 Cb 0.00 -4.09 0.05 0.00 -1.53 0.00 0.00 36.38 30.81 2pnk s VAL 261 CO 0.00 0.18 0.30 -0.75 -3.33 0.00 0.00 175.10 171.50 2pnk s LYS 262 N 1.19 2.85 0.23 1.54 2.20 -0.34 -3.79 119.74 123.61 2pnk s LYS 262 Ca 0.39 -1.24 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 2pnk s LYS 262 Cb -0.18 -3.92 -0.09 0.00 -1.51 0.00 0.00 37.83 32.13 2pnk s LYS 262 CO 0.18 -0.87 1.16 0.15 -0.36 0.00 0.00 175.35 175.61 2pnk s LYS 263 N 1.58 4.54 -1.25 4.03 -0.14 -1.26 -0.92 119.74 126.32 2pnk s LYS 263 Ca 0.03 1.87 -0.04 0.00 -1.36 0.00 0.00 55.97 56.47 2pnk s LYS 263 Cb -0.22 -3.21 -0.01 0.00 -1.68 0.00 0.00 37.83 32.72 2pnk s LYS 263 CO 0.06 0.03 0.74 0.54 -0.76 0.00 0.00 175.35 175.96 2pnk n ARG 264 N 1.85 -3.96 0.20 1.68 5.12 -1.22 -4.90 116.66 115.43 2pnk n ARG 264 Ca 0.02 0.62 0.08 0.00 -1.93 0.00 0.00 57.85 56.64 2pnk n ARG 264 Cb 0.44 -5.06 0.30 0.00 -1.16 0.00 0.00 32.46 26.98 2pnk n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 2pnk h VAL 265 N -1.78 0.53 -2.69 1.55 -1.51 -1.16 -3.34 116.25 107.84 2pnk h VAL 265 Ca -0.62 -1.40 -0.60 0.00 -1.23 0.00 0.00 66.70 62.85 2pnk h VAL 265 Cb 1.35 1.98 -0.40 0.00 -2.13 0.00 0.00 31.29 32.09 2pnk h VAL 265 CO 0.54 0.26 -0.76 1.57 -1.23 0.00 0.00 177.57 177.94 2pnk n HIS 266 N -3.28 1.46 -0.23 5.19 -0.00 -0.94 -5.02 115.22 112.39 2pnk n HIS 266 Ca 0.01 -3.87 0.14 0.00 -0.00 0.00 0.00 57.72 54.00 2pnk n HIS 266 Cb 0.53 -0.26 0.43 0.00 -0.00 0.00 0.00 29.99 30.70 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 5.34 0.55 0.00 1.57 0.11 -1.83 -0.66 132.00 137.07 2pnk h PRO 267 Ca 0.20 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 2pnk h PRO 267 Cb 0.81 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 2pnk h PRO 267 CO 0.58 0.36 -0.01 0.00 -0.21 0.00 0.00 178.00 178.72 2pnk h ALA 268 N 1.62 1.32 0.00 -0.75 0.00 -1.95 -1.28 119.26 118.21 2pnk h ALA 268 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2pnk h ALA 268 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2pnk h ALA 268 CO -0.17 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.37 2pnk n LEU 269 N -3.55 0.00 0.00 0.00 4.77 -0.25 -4.97 117.00 112.99 2pnk n LEU 269 Ca -0.03 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2pnk n LEU 269 Cb 0.09 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2pnk n LEU 269 CO 0.25 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2pnk n GLY 270 N 1.16 3.05 0.35 -0.72 0.00 -0.48 -2.11 105.19 106.43 2pnk n GLY 270 Ca 0.12 -0.21 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 0.24 0.00 -0.01 1.61 3.32 -1.94 0.03 116.42 119.66 2pnk h ASP 271 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pnk h ASP 271 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pnk h ASP 271 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2pnk n ALA 272 N -2.42 2.58 -0.39 3.45 0.00 -0.90 -4.23 120.51 118.61 2pnk n ALA 272 Ca 0.04 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.47 2pnk n ALA 272 Cb 0.40 -1.23 0.33 0.00 0.00 0.00 0.00 19.45 18.95 2pnk n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnk n GLY 273 N 0.76 2.49 3.89 0.00 0.00 -0.01 -4.84 105.19 107.48 2pnk n GLY 273 Ca 0.11 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.98 6.50 0.17 1.61 1.01 -1.26 -0.81 116.67 122.91 2pnk s ASP 274 Ca 0.50 0.57 0.00 0.00 0.71 0.00 0.00 52.55 54.33 2pnk s ASP 274 Cb 0.27 -2.09 0.00 0.00 1.01 0.00 0.00 42.92 42.11 2pnk s ASP 274 CO 0.32 0.22 0.02 0.33 0.21 0.00 0.00 175.17 176.27 2pnk n PHE 275 N 0.93 0.13 -4.07 4.23 7.35 -0.10 -4.94 117.46 121.00 2pnk n PHE 275 Ca -0.10 -0.84 -0.13 0.00 -0.76 0.00 0.00 57.45 55.63 2pnk n PHE 275 Cb 0.52 -0.12 -0.11 0.00 0.35 0.00 0.00 39.48 40.12 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 -1.50 0.57 0.06 -2.13 0.11 -1.26 -1.20 120.40 115.04 2pnk s VAL 276 Ca 0.02 -1.13 -0.11 0.00 -2.93 0.00 0.00 61.98 57.83 2pnk s VAL 276 Cb -0.00 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 2pnk s VAL 276 CO 0.01 -0.40 0.24 -0.83 -3.33 0.00 0.00 175.10 170.80 2pnk s GLY 277 N -1.66 -0.03 0.25 6.54 0.00 -0.85 -4.87 107.32 106.71 2pnk s GLY 277 Ca -0.09 -0.23 -0.30 0.00 0.00 0.00 0.00 44.72 44.10 2pnk s GLY 277 CO 0.00 -0.43 1.23 1.25 0.00 0.00 0.00 173.10 175.15 2pnk s LYS 278 N -2.90 4.47 0.23 2.90 2.20 -1.26 -4.53 119.74 120.85 2pnk s LYS 278 Ca -0.03 1.99 0.06 0.00 -0.36 0.00 0.00 55.97 57.63 2pnk s LYS 278 Cb 0.00 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 2pnk s LYS 278 CO -0.06 -0.09 0.21 0.00 -0.36 0.00 0.00 175.35 175.05 2pnk s ALA 279 N -0.52 3.64 1.00 3.13 0.00 -1.26 -4.79 121.76 122.96 2pnk s ALA 279 Ca 0.51 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2pnk s ALA 279 Cb -0.35 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.38 2pnk s ALA 279 CO 0.42 0.32 0.00 0.45 0.00 0.00 0.00 175.76 176.95 2pnk n SER 280 N -1.00 0.00 0.00 0.00 2.88 -1.25 -4.97 113.62 109.28 2pnk n SER 280 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2pnk n SER 280 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2pnk n SER 280 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2pnk n ASP 282 N 0.00 0.00 -0.19 -3.46 8.00 -1.26 -4.71 116.55 114.92 2pnk n ASP 282 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 2pnk n ASP 282 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 2pnk n ASP 282 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2pnk h GLY 283 N 0.00 0.88 0.91 0.44 0.00 -1.83 -1.03 103.07 102.44 2pnk h GLY 283 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 2pnk h GLY 283 CO 0.00 0.45 -0.03 -2.08 0.00 0.00 0.00 176.54 174.88 2pnk h VAL 284 N 0.75 1.27 -0.37 4.60 2.07 -1.87 -2.10 116.25 120.59 2pnk h VAL 284 Ca 0.18 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.71 2pnk h VAL 284 Cb 0.20 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2pnk h VAL 284 CO -0.02 0.34 0.13 -0.08 0.02 0.00 0.00 177.57 177.97 2pnk h GLU 285 N 0.41 0.28 -0.56 1.57 4.81 -1.93 -1.90 114.58 117.28 2pnk h GLU 285 Ca 0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2pnk h GLU 285 Cb 0.50 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2pnk h GLU 285 CO 0.02 0.19 0.35 1.25 -0.73 0.00 0.00 179.01 180.09 2pnk h HIS 286 N 0.29 0.71 -0.49 0.92 2.76 -1.08 -1.27 115.15 117.00 2pnk h HIS 286 Ca 0.17 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2pnk h HIS 286 Cb 0.13 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 2pnk h HIS 286 CO -0.14 0.47 0.22 -0.07 -1.30 0.00 0.00 177.93 177.11 2pnk h LEU 287 N 0.75 0.65 -0.25 0.26 3.38 -1.22 0.54 115.31 119.42 2pnk h LEU 287 Ca 0.20 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2pnk h LEU 287 Cb -0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2pnk h LEU 287 CO -0.04 0.61 0.05 -0.07 0.09 0.00 0.00 178.44 179.08 2pnk h LEU 288 N 0.64 0.40 -0.06 1.67 3.38 -1.11 -1.40 115.31 118.83 2pnk h LEU 288 Ca 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2pnk h LEU 288 Cb 0.15 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2pnk h LEU 288 CO -0.02 0.54 -0.01 -0.09 0.09 0.00 0.00 178.44 178.95 2pnk h ARG 289 N 0.23 0.12 0.00 1.13 2.43 -1.15 -3.30 114.38 113.83 2pnk h ARG 289 Ca 0.08 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2pnk h ARG 289 Cb 0.31 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2pnk h ARG 289 CO 0.00 0.45 -0.33 0.39 -1.51 0.00 0.00 179.97 178.97 2pnk n GLU 290 N -4.83 0.02 -3.21 0.20 -0.58 0.17 -4.06 120.64 108.35 2pnk n GLU 290 Ca -0.07 0.01 -0.26 0.00 -0.42 0.00 0.00 57.16 56.42 2pnk n GLU 290 Cb 0.22 -1.52 -0.06 0.00 -0.57 0.00 0.00 31.44 29.51 2pnk n GLU 290 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2pnk n TYR 291 N -1.55 2.86 0.31 -0.32 4.02 -0.53 -4.93 117.16 117.02 2pnk n TYR 291 Ca 0.06 -3.99 0.17 0.00 -0.01 0.00 0.00 57.90 54.13 2pnk n TYR 291 Cb 0.34 -0.49 0.77 0.00 -0.02 0.00 0.00 39.34 39.94 2pnk n TYR 291 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2pnk h PRO 292 N 3.65 0.00 -0.23 -0.72 0.13 -1.70 -1.14 132.00 131.99 2pnk h PRO 292 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2pnk h PRO 292 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2pnk h PRO 292 CO 0.74 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.60 2pnk n ASN 293 N -2.80 2.21 -4.82 1.44 3.02 -1.26 -4.86 115.26 108.19 2pnk n ASN 293 Ca -0.00 -1.80 -0.32 0.00 -0.03 0.00 0.00 54.58 52.43 2pnk n ASN 293 Cb 0.20 -0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 2pnk n ASN 293 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2pnk s ASN 294 N -1.55 5.84 -0.09 6.41 -0.87 -0.43 -4.77 114.94 119.48 2pnk s ASN 294 Ca 0.34 0.14 -0.04 0.00 -1.57 0.00 0.00 52.86 51.72 2pnk s ASN 294 Cb 0.19 -1.69 -0.04 0.00 -0.02 0.00 0.00 41.25 39.69 2pnk s ASN 294 CO 0.28 0.21 0.09 -0.54 -2.57 0.00 0.00 177.10 174.57 2pnk s LYS 295 N -2.17 3.25 -0.04 -0.60 1.02 -1.26 -4.84 119.74 115.10 2pnk s LYS 295 Ca 0.28 -0.26 0.04 0.00 0.02 0.00 0.00 55.97 56.05 2pnk s LYS 295 Cb -0.12 -3.02 -0.00 0.00 -0.52 0.00 0.00 37.83 34.17 2pnk s LYS 295 CO 0.20 0.74 -0.15 -0.06 -0.92 0.00 0.00 175.35 175.17 2pnk s PHE 296 N -1.00 1.47 -0.20 3.18 0.40 0.72 -1.16 117.98 121.39 2pnk s PHE 296 Ca 0.15 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.04 2pnk s PHE 296 Cb -0.12 -1.00 -0.02 0.00 0.51 0.00 0.00 43.02 42.39 2pnk s PHE 296 CO 0.05 -0.14 -0.00 -0.51 0.70 0.00 0.00 175.22 175.32 2pnk s LEU 297 N 0.05 3.25 -0.03 -0.37 1.43 -0.35 -4.18 118.68 118.47 2pnk s LEU 297 Ca -0.03 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 2pnk s LEU 297 Cb -0.10 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.30 2pnk s LEU 297 CO 0.01 0.07 -0.10 -0.69 0.23 0.00 0.00 176.35 175.87 2pnk s VAL 298 N 0.99 0.86 0.34 -1.59 1.01 -1.26 -4.16 120.40 116.59 2pnk s VAL 298 Ca 0.02 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.65 2pnk s VAL 298 Cb -0.14 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2pnk s VAL 298 CO 0.02 0.27 0.17 1.07 0.00 0.00 0.00 175.10 176.63 2pnk n THR 299 N 3.38 0.00 0.00 3.92 5.66 -1.26 -1.90 114.28 124.08 2pnk n THR 299 Ca -0.19 -2.11 0.00 0.00 -3.05 0.00 0.00 64.05 58.69 2pnk n THR 299 Cb 0.54 0.86 0.00 0.00 -1.55 0.00 0.00 70.33 70.18 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 -4.82 1.09 7.94 0.17 -1.54 117.00 119.84 2pnk n LEU 301 Ca -0.01 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.51 2pnk n LEU 301 Cb 0.54 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.43 2pnk n LEU 301 CO 0.28 0.00 0.05 -0.55 -1.11 0.00 0.00 177.39 176.06 2pnk s SER 302 N -0.54 6.68 0.37 1.96 0.15 -1.26 -4.74 113.70 116.33 2pnk s SER 302 Ca 0.00 0.81 0.07 0.00 0.70 0.00 0.00 55.95 57.53 2pnk s SER 302 Cb 0.00 -2.22 0.78 0.00 -1.71 0.00 0.00 66.02 62.87 2pnk s SER 302 CO 0.00 0.28 1.97 -0.09 1.20 0.00 0.00 173.24 176.60 2pnk h ARG 303 N 5.20 0.69 0.00 5.44 2.43 -1.96 -2.58 114.38 123.60 2pnk h ARG 303 Ca -0.50 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2pnk h ARG 303 Cb 1.21 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2pnk h ARG 303 CO 0.64 0.45 0.00 0.39 -1.51 0.00 0.00 179.97 179.95 2pnk n GLU 304 N -4.48 0.25 0.00 0.20 4.71 -1.26 -2.40 120.64 117.67 2pnk n GLU 304 Ca 0.10 0.06 0.12 0.00 -0.01 0.00 0.00 57.16 57.42 2pnk n GLU 304 Cb 0.21 -1.50 0.15 0.00 -1.01 0.00 0.00 31.44 29.29 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 -1.35 1.42 -0.04 1.62 5.03 -0.97 -4.68 115.26 116.29 2pnk n ASN 305 Ca 0.10 -1.12 -0.16 0.00 0.87 0.00 0.00 54.58 54.27 2pnk n ASN 305 Cb 0.23 0.39 -0.07 0.00 -1.02 0.00 0.00 39.78 39.30 2pnk n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2pnk h GLN 306 N 1.51 0.63 -0.48 3.52 1.08 -1.58 -1.94 115.11 117.86 2pnk h GLN 306 Ca 0.00 -0.49 -0.10 0.00 -1.45 0.00 0.00 58.65 56.61 2pnk h GLN 306 Cb 0.61 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.12 2pnk h GLN 306 CO 0.00 1.11 -0.10 1.25 -0.95 0.00 0.00 178.83 180.14 2pnk h HIS 307 N 0.30 1.02 0.00 2.96 2.76 -1.83 -2.64 115.15 117.72 2pnk h HIS 307 Ca -0.03 -0.21 -0.13 0.00 -2.20 0.00 0.00 60.37 57.80 2pnk h HIS 307 Cb 1.18 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.87 2pnk h HIS 307 CO 0.10 0.99 -0.60 1.05 -1.30 0.00 0.00 177.93 178.17 2pnk h GLU 308 N 0.76 0.00 -0.74 5.26 4.11 -1.83 -2.09 114.58 120.05 2pnk h GLU 308 Ca 0.12 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.51 2pnk h GLU 308 Cb 0.64 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2pnk h GLU 308 CO 0.04 0.60 0.30 1.25 0.07 0.00 0.00 179.01 181.27 2pnk h LEU 309 N 0.00 1.01 -0.41 3.06 5.85 -1.26 -0.11 115.31 123.45 2pnk h LEU 309 Ca -0.01 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 2pnk h LEU 309 Cb 1.07 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2pnk h LEU 309 CO 0.08 0.90 0.13 0.58 -0.34 0.00 0.00 178.44 179.79 2pnk h VAL 310 N 1.06 1.21 -0.97 1.05 2.07 -1.08 -1.62 116.25 117.97 2pnk h VAL 310 Ca 0.25 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 67.08 2pnk h VAL 310 Cb 0.20 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2pnk h VAL 310 CO -0.02 0.25 0.64 0.58 0.02 0.00 0.00 177.57 179.04 2pnk h VAL 311 N 0.52 1.25 -0.63 2.57 2.07 -1.14 -2.35 116.25 118.54 2pnk h VAL 311 Ca 0.13 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2pnk h VAL 311 Cb 0.25 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.81 2pnk h VAL 311 CO -0.01 0.24 0.24 0.25 0.02 0.00 0.00 177.57 178.31 2pnk h LEU 312 N 1.32 0.86 -1.49 2.57 5.85 -0.70 -1.59 115.31 122.12 2pnk h LEU 312 Ca 0.36 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.98 2pnk h LEU 312 Cb -0.15 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.63 2pnk h LEU 312 CO -0.08 0.78 0.37 0.00 -0.34 0.00 0.00 178.44 179.17 2pnk h ALA 313 N 1.35 1.68 -0.09 1.25 0.00 -0.78 -1.68 119.26 120.99 2pnk h ALA 313 Ca 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2pnk h ALA 313 Cb 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2pnk h ALA 313 CO -0.02 0.27 -0.12 0.00 0.00 0.00 0.00 179.25 179.38 2pnk h ARG 314 N 0.67 0.13 0.06 0.00 3.08 -0.93 -3.11 114.38 114.29 2pnk h ARG 314 Ca 0.22 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 60.00 2pnk h ARG 314 Cb 0.04 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2pnk h ARG 314 CO -0.05 0.26 -1.07 0.87 -1.07 0.00 0.00 179.97 178.91 2pnk h LYS 315 N 0.13 0.31 -4.03 0.04 1.79 -1.06 -3.46 116.57 110.30 2pnk h LYS 315 Ca 0.03 -0.41 -0.54 0.00 -2.18 0.00 0.00 60.65 57.55 2pnk h LYS 315 Cb 0.29 0.13 -0.38 0.00 -1.58 0.00 0.00 32.23 30.69 2pnk h LYS 315 CO 0.02 1.13 -0.78 -0.06 -1.08 0.00 0.00 179.45 178.67 2pnk s PHE 316 N -2.98 1.54 -0.85 -1.35 0.08 -0.94 -4.99 117.98 108.50 2pnk s PHE 316 Ca -0.04 -1.01 0.21 0.00 0.12 0.00 0.00 56.93 56.20 2pnk s PHE 316 Cb 0.08 -1.24 0.86 0.00 -0.57 0.00 0.00 43.02 42.15 2pnk s PHE 316 CO 0.87 -0.60 1.66 -1.13 -0.10 0.00 0.00 175.22 175.91 2pnk n SER 317 N 4.91 0.24 -0.47 1.36 3.41 -1.26 -2.08 113.62 119.73 2pnk n SER 317 Ca -0.11 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.10 2pnk n SER 317 Cb 0.48 -0.60 0.16 0.00 -0.26 0.00 0.00 64.21 63.99 2pnk n SER 317 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2pnk n ASN 318 N -1.75 1.37 -3.16 4.04 6.94 -1.26 -5.03 115.26 116.41 2pnk n ASN 318 Ca 0.04 -1.94 -0.10 0.00 -0.02 0.00 0.00 54.58 52.56 2pnk n ASN 318 Cb 0.25 -0.16 0.01 0.00 -2.36 0.00 0.00 39.78 37.52 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 0.23 0.00 -3.67 -4.53 7.94 -0.88 -0.20 117.00 115.88 2pnk n LEU 319 Ca 0.10 -1.11 -0.15 0.00 -1.11 0.00 0.00 56.01 53.75 2pnk n LEU 319 Cb 0.23 -0.07 -0.08 0.00 0.53 0.00 0.00 43.42 44.03 2pnk n LEU 319 CO 0.07 -0.46 0.19 0.27 -1.11 0.00 0.00 177.39 176.36 2pnk s ILE 321 N -0.87 0.02 -0.05 1.96 -4.36 -1.26 -4.94 121.20 111.69 2pnk s ILE 321 Ca 0.17 -0.19 -0.04 0.00 -0.26 0.00 0.00 60.65 60.33 2pnk s ILE 321 Cb -0.01 -0.75 0.02 0.00 1.25 0.00 0.00 42.46 42.97 2pnk s ILE 321 CO 0.11 -0.10 0.13 0.72 0.24 0.00 0.00 174.94 176.03 2pnk s PHE 322 N -0.79 -0.15 0.00 1.37 -0.71 -0.80 -2.27 117.98 114.64 2pnk s PHE 322 Ca -0.09 0.40 0.00 0.00 -1.04 0.00 0.00 56.93 56.20 2pnk s PHE 322 Cb -0.03 -0.02 0.00 0.00 -1.21 0.00 0.00 43.02 41.76 2pnk s PHE 322 CO 0.05 -0.11 0.00 0.41 -1.34 0.00 0.00 175.22 174.22 2pnk n GLY 323 N 3.60 -1.61 2.98 1.99 0.00 -0.21 -4.38 105.19 107.55 2pnk n GLY 323 Ca -0.19 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 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 0.04 3.39 0.00 0.00 -0.00 -1.26 -3.41 118.94 117.70 2pnk s TRP 325 Ca 0.15 1.49 0.00 0.00 -0.00 0.00 0.00 56.10 57.74 2pnk s TRP 325 Cb -0.24 -3.25 0.00 0.00 -0.00 0.00 0.00 33.47 29.98 2pnk s TRP 325 CO -0.02 -0.50 0.00 1.87 -0.00 0.00 0.00 176.95 178.30 2pnk n TRP 326 N 5.48 0.00 -0.40 5.86 -0.00 -1.26 -3.90 117.44 123.21 2pnk n TRP 326 Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.56 2pnk n TRP 326 Cb 0.47 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.73 2pnk n TRP 326 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 2pnk n PHE 327 N 0.00 0.00 -3.90 5.87 3.72 -1.26 -4.64 117.46 117.25 2pnk n PHE 327 Ca 0.00 -0.63 -0.34 0.00 -0.05 0.00 0.00 57.45 56.44 2pnk n PHE 327 Cb 0.00 -0.81 0.01 0.00 -0.94 0.00 0.00 39.48 37.74 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 2.55 -3.25 -3.94 4.37 5.15 -1.22 -5.03 115.26 113.88 2pnk n ASN 329 Ca 0.15 -1.11 -0.18 0.00 -0.60 0.00 0.00 54.58 52.84 2pnk n ASN 329 Cb 0.37 -2.73 -0.15 0.00 -0.53 0.00 0.00 39.78 36.74 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 -3.79 0.84 0.29 1.20 0.01 -1.26 -5.00 114.94 107.24 2pnk s ASN 330 Ca 0.32 -0.12 0.05 0.00 -0.71 0.00 0.00 52.86 52.40 2pnk s ASN 330 Cb -0.14 -0.25 0.74 0.00 0.41 0.00 0.00 41.25 42.02 2pnk s ASN 330 CO 0.91 0.02 1.71 -0.65 -1.51 0.00 0.00 177.10 177.58 2pnk h PRO 331 N 6.53 0.45 -0.97 -0.60 0.11 -1.98 0.13 132.00 135.66 2pnk h PRO 331 Ca -0.34 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.78 2pnk h PRO 331 Cb 1.17 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 2pnk h PRO 331 CO 0.49 0.30 0.64 1.49 -0.21 0.00 0.00 178.00 180.71 2pnk h GLU 332 N 0.46 1.19 0.17 1.05 4.57 -2.00 -1.28 114.58 118.75 2pnk h GLU 332 Ca 0.57 -0.07 -0.31 0.00 -1.18 0.00 0.00 59.36 58.37 2pnk h GLU 332 Cb 1.06 -0.27 0.01 0.00 -0.16 0.00 0.00 28.75 29.39 2pnk h GLU 332 CO -0.50 0.79 -1.49 0.82 -1.18 0.00 0.00 179.01 177.45 2pnk h ILE 333 N 1.23 1.09 -0.54 2.32 2.04 -1.36 -2.88 117.51 119.41 2pnk h ILE 333 Ca 0.39 -2.51 0.09 0.00 1.00 0.00 0.00 64.86 63.82 2pnk h ILE 333 Cb 0.01 2.85 -0.07 0.00 -0.74 0.00 0.00 36.82 38.87 2pnk h ILE 333 CO -0.12 0.79 0.16 0.40 0.00 0.00 0.00 178.15 179.37 2pnk h ILE 334 N -0.07 0.75 0.34 -0.67 2.04 -0.73 -2.75 117.51 116.43 2pnk h ILE 334 Ca -0.29 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2pnk h ILE 334 Cb 1.95 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 2pnk h ILE 334 CO 0.15 0.06 -0.32 -1.13 0.00 0.00 0.00 178.15 176.91 2pnk h ASN 335 N 0.32 -0.85 0.00 1.72 -1.24 -1.31 0.14 115.58 114.36 2pnk h ASN 335 Ca 0.27 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.35 2pnk h ASN 335 Cb 0.34 0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.68 2pnk h ASN 335 CO -0.31 -0.46 0.00 -1.84 -1.29 0.00 0.00 177.43 173.53 2pnk n GLU 336 N -5.44 0.17 0.00 6.67 0.28 -1.04 -1.80 120.64 119.49 2pnk n GLU 336 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 2pnk n GLU 336 Cb 0.34 -1.30 0.00 0.00 1.43 0.00 0.00 31.44 31.91 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 0.73 0.00 0.45 3.84 -1.04 0.04 -4.59 114.28 113.71 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 0.07 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 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 -0.23 -2.82 1.74 -0.75 -4.56 116.66 110.49 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 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 0.31 -0.69 -0.06 5.56 1.74 -1.26 -5.01 116.66 117.24 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 0.12 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 -0.23 -0.73 0.00 5.56 1.02 -1.26 -3.88 120.64 121.12 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 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.06 0.00 0.00 -4.62 4.77 -1.26 -5.16 117.00 110.67 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 4.16 1.08 -0.72 0.00 -1.25 -1.69 105.19 106.77 2pnk n GLY 346 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 1.03 -1.50 2.61 -2.24 -1.26 -4.76 114.28 108.16 2pnk n THR 347 Ca 0.00 -1.01 -0.27 0.00 -2.27 0.00 0.00 64.05 60.50 2pnk n THR 347 Cb 0.00 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 2pnk n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2pnk n SER 348 N 1.19 6.49 -3.75 3.42 3.41 -0.68 -4.72 113.62 118.98 2pnk n SER 348 Ca 0.20 -3.19 -0.09 0.00 -0.26 0.00 0.00 58.87 55.52 2pnk n SER 348 Cb 0.55 -1.24 -0.04 0.00 -0.26 0.00 0.00 64.21 63.23 2pnk n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2pnk s PHE 349 N -1.65 0.32 -0.37 7.33 -0.71 -1.26 -4.84 117.98 116.81 2pnk s PHE 349 Ca 0.59 -0.72 -0.02 0.00 -1.04 0.00 0.00 56.93 55.73 2pnk s PHE 349 Cb 0.38 0.33 0.09 0.00 -1.21 0.00 0.00 43.02 42.60 2pnk s PHE 349 CO -0.22 -1.13 0.13 0.42 -1.34 0.00 0.00 175.22 173.09 2pnk s ILE 350 N -3.67 3.18 0.40 -4.49 1.01 -0.96 -4.70 121.20 111.96 2pnk s ILE 350 Ca 0.21 -1.83 0.07 0.00 0.00 0.00 0.00 60.65 59.10 2pnk s ILE 350 Cb -0.02 -3.07 0.28 0.00 0.01 0.00 0.00 42.46 39.66 2pnk s ILE 350 CO 0.10 -0.49 2.02 1.55 0.00 0.00 0.00 174.94 178.12 2pnk h PRO 351 N 8.02 0.59 -2.99 2.79 0.13 -1.87 -0.55 132.00 138.13 2pnk h PRO 351 Ca -0.15 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.85 2pnk h PRO 351 Cb 1.05 -0.13 -0.17 0.00 0.13 0.00 0.00 31.00 31.87 2pnk h PRO 351 CO 0.64 0.39 -0.13 -1.14 -0.23 0.00 0.00 178.00 177.53 2pnk s GLN 352 N -5.54 0.87 0.18 0.86 2.00 -1.26 -3.60 119.66 113.16 2pnk s GLN 352 Ca -0.09 -0.30 -0.01 0.00 -2.00 0.00 0.00 55.36 52.96 2pnk s GLN 352 Cb 0.18 0.39 -0.04 0.00 0.80 0.00 0.00 33.01 34.34 2pnk s GLN 352 CO 0.75 -0.28 0.10 -3.38 -0.50 0.00 0.00 175.29 171.97 2pnk s HIS 353 N -2.17 1.09 -0.18 1.67 -3.43 -1.26 -4.68 115.29 106.33 2pnk s HIS 353 Ca -0.07 -1.31 0.18 0.00 -0.80 0.00 0.00 55.06 53.05 2pnk s HIS 353 Cb -0.02 -0.56 -0.25 0.00 -1.43 0.00 0.00 32.58 30.33 2pnk s HIS 353 CO -0.00 -0.57 0.15 -1.13 -2.00 0.00 0.00 174.74 171.19 2pnk n SER 354 N -0.22 0.08 -1.77 7.38 3.41 -1.25 -4.71 113.62 116.55 2pnk n SER 354 Ca -0.01 0.04 -0.19 0.00 -0.26 0.00 0.00 58.87 58.46 2pnk n SER 354 Cb 0.65 0.96 -0.06 0.00 -0.26 0.00 0.00 64.21 65.50 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 -2.75 -5.01 -4.67 4.04 8.00 -0.63 -4.86 116.55 110.67 2pnk n ASP 355 Ca -0.30 0.35 -0.46 0.00 0.71 0.00 0.00 54.79 55.10 2pnk n ASP 355 Cb 1.11 -4.40 -0.04 0.00 -0.02 0.00 0.00 41.12 37.78 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 0.28 1.23 -0.03 2.24 0.00 -1.26 -4.24 120.51 118.73 2pnk n ALA 356 Ca -0.19 0.43 0.03 0.00 0.00 0.00 0.00 53.44 53.71 2pnk n ALA 356 Cb 0.62 -2.32 -0.13 0.00 0.00 0.00 0.00 19.45 17.62 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 2.88 0.80 -5.04 0.00 1.74 -1.26 0.21 116.66 115.98 2pnk n ARG 357 Ca 0.15 -0.11 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 2pnk n ARG 357 Cb 0.30 -1.41 -0.17 0.00 -1.02 0.00 0.00 32.46 30.16 2pnk n ARG 357 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2pnk s VAL 358 N -2.94 1.79 0.26 1.55 1.01 -1.26 -4.36 120.40 116.45 2pnk s VAL 358 Ca -0.07 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 2pnk s VAL 358 Cb 0.09 -1.56 0.33 0.00 0.00 0.00 0.00 36.38 35.25 2pnk s VAL 358 CO 0.70 0.50 1.61 0.25 0.00 0.00 0.00 175.10 178.15 2pnk h LEU 359 N 6.70 -0.54 -2.00 3.92 5.85 -1.25 -1.48 115.31 126.52 2pnk h LEU 359 Ca -0.24 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2pnk h LEU 359 Cb 1.22 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 2pnk h LEU 359 CO 0.47 -0.25 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.97 2pnk h GLU 360 N 0.05 0.00 -0.02 1.25 3.07 -1.93 -2.53 114.58 114.46 2pnk h GLU 360 Ca 0.44 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.31 2pnk h GLU 360 Cb 0.77 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.68 2pnk h GLU 360 CO -0.79 0.03 0.04 1.96 -1.40 0.00 0.00 179.01 178.85 2pnk h GLN 361 N 0.00 0.00 -0.98 2.33 4.20 -1.67 -0.36 115.11 118.63 2pnk h GLN 361 Ca -0.00 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.90 2pnk h GLN 361 Cb 0.34 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.02 2pnk h GLN 361 CO 0.00 0.00 0.61 -0.07 -0.67 0.00 0.00 178.83 178.71 2pnk h LEU 362 N 0.00 0.71 0.77 1.46 3.38 -1.64 0.13 115.31 120.12 2pnk h LEU 362 Ca 0.01 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2pnk h LEU 362 Cb 0.09 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2pnk h LEU 362 CO -0.00 0.27 -0.37 0.40 0.09 0.00 0.00 178.44 178.83 2pnk h ILE 363 N 0.70 0.23 -0.05 1.22 2.04 -1.29 -2.07 117.51 118.29 2pnk h ILE 363 Ca 0.54 -0.03 -0.20 0.00 1.00 0.00 0.00 64.86 66.17 2pnk h ILE 363 Cb 0.93 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2pnk h ILE 363 CO -0.32 0.00 -0.80 0.10 0.00 0.00 0.00 178.15 177.14 2pnk h TYR 364 N -1.06 0.55 -0.40 1.37 -0.00 -1.59 -1.47 116.97 114.37 2pnk h TYR 364 Ca -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 58.73 58.35 2pnk h TYR 364 Cb 0.80 -0.08 -0.02 0.00 0.00 0.00 0.00 36.73 37.43 2pnk h TYR 364 CO -0.02 1.04 0.20 0.87 -0.00 0.00 0.00 178.16 180.26 2pnk h LYS 365 N 0.25 0.57 0.07 0.10 1.79 -0.80 0.25 116.57 118.80 2pnk h LYS 365 Ca -0.05 -0.08 -0.24 0.00 -2.18 0.00 0.00 60.65 58.11 2pnk h LYS 365 Cb 1.40 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2pnk h LYS 365 CO 0.14 0.48 -1.08 -1.49 -1.08 0.00 0.00 179.45 176.41 2pnk h TRP 366 N 0.51 0.43 -0.19 -1.35 4.06 -1.37 -2.78 115.95 115.26 2pnk h TRP 366 Ca 0.14 -0.28 -0.04 0.00 2.06 0.00 0.00 58.89 60.77 2pnk h TRP 366 Cb 0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.21 2pnk h TRP 366 CO -0.02 1.16 -0.02 0.45 -3.56 0.00 0.00 178.44 176.46 2pnk h HIS 367 N 0.10 0.39 -0.21 0.49 3.86 -1.12 0.12 115.15 118.78 2pnk h HIS 367 Ca -0.09 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.04 2pnk h HIS 367 Cb 1.78 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 30.14 2pnk h HIS 367 CO 0.05 0.58 0.12 0.45 0.86 0.00 0.00 177.93 179.99 2pnk h HIS 368 N 0.09 0.28 -0.37 2.45 3.86 -1.06 -2.66 115.15 117.74 2pnk h HIS 368 Ca 0.05 -0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.15 2pnk h HIS 368 Cb 0.44 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2pnk h HIS 368 CO 0.04 0.23 -0.20 0.77 0.86 0.00 0.00 177.93 179.64 2pnk h SER 369 N 0.25 0.81 -0.93 2.45 0.02 -1.47 -3.12 113.55 111.56 2pnk h SER 369 Ca 0.08 -0.41 0.05 0.00 -0.84 0.00 0.00 61.79 60.66 2pnk h SER 369 Cb 0.04 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.30 2pnk h SER 369 CO -0.01 1.04 0.61 0.11 -1.14 0.00 0.00 176.83 177.44 2pnk h LYS 370 N 0.57 1.09 -0.62 3.45 1.57 -0.70 -0.66 116.57 121.26 2pnk h LYS 370 Ca 0.08 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2pnk h LYS 370 Cb 0.75 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 2pnk h LYS 370 CO 0.06 0.72 0.22 0.66 -0.57 0.00 0.00 179.45 180.54 2pnk h SER 371 N 1.12 0.87 -0.21 0.86 4.64 -1.42 0.07 113.55 119.48 2pnk h SER 371 Ca 0.38 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.47 2pnk h SER 371 Cb 0.10 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2pnk h SER 371 CO -0.13 0.83 -0.04 0.40 -0.87 0.00 0.00 176.83 177.01 2pnk h ILE 372 N 0.87 1.28 -0.62 0.95 2.04 -1.40 -2.52 117.51 118.11 2pnk h ILE 372 Ca 0.20 -1.01 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 2pnk h ILE 372 Cb 0.24 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 2pnk h ILE 372 CO -0.01 0.31 0.10 0.40 0.00 0.00 0.00 178.15 178.95 2pnk h ILE 373 N 0.14 1.25 -0.48 -0.67 2.04 -1.00 -1.95 117.51 116.85 2pnk h ILE 373 Ca 0.06 -0.99 0.07 0.00 1.00 0.00 0.00 64.86 64.99 2pnk h ILE 373 Cb 0.49 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 2pnk h ILE 373 CO 0.02 0.37 0.16 0.00 0.00 0.00 0.00 178.15 178.70 2pnk h ALA 374 N 1.16 0.58 -0.37 1.87 0.00 -0.92 -0.69 119.26 120.88 2pnk h ALA 374 Ca 0.19 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2pnk h ALA 374 Cb 0.41 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2pnk h ALA 374 CO 0.01 -0.23 -0.16 1.49 0.00 0.00 0.00 179.25 180.36 2pnk h GLU 375 N 0.33 0.68 -0.20 0.00 4.57 -1.02 0.11 114.58 119.04 2pnk h GLU 375 Ca 0.23 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2pnk h GLU 375 Cb 0.25 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2pnk h GLU 375 CO -0.24 0.80 0.08 0.28 -1.18 0.00 0.00 179.01 178.74 2pnk h VAL 376 N 0.61 1.17 -0.35 0.32 2.07 -0.95 -2.11 116.25 117.00 2pnk h VAL 376 Ca 0.10 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.16 2pnk h VAL 376 Cb 0.61 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2pnk h VAL 376 CO 0.04 0.16 0.10 -0.07 0.02 0.00 0.00 177.57 177.82 2pnk h LEU 377 N 0.16 0.07 -0.46 2.57 3.38 -0.73 -1.42 115.31 118.89 2pnk h LEU 377 Ca 0.07 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.16 2pnk h LEU 377 Cb 0.18 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 2pnk h LEU 377 CO -0.00 0.08 0.04 0.40 0.09 0.00 0.00 178.44 179.04 2pnk h ILE 378 N 0.23 0.69 -0.75 1.22 2.04 -0.72 0.11 117.51 120.32 2pnk h ILE 378 Ca 0.16 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.98 2pnk h ILE 378 Cb 0.16 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 2pnk h ILE 378 CO -0.19 0.03 0.49 0.44 0.00 0.00 0.00 178.15 178.92 2pnk h ASP 379 N 0.16 0.83 0.22 1.72 3.32 -0.88 -0.99 116.42 120.80 2pnk h ASP 379 Ca 0.23 -0.01 -0.24 0.00 0.02 0.00 0.00 57.03 57.02 2pnk h ASP 379 Cb 0.32 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.68 2pnk h ASP 379 CO -0.34 0.59 -1.00 0.11 -1.72 0.00 0.00 179.24 176.88 2pnk h LYS 380 N 0.98 0.52 -0.51 3.56 6.56 -0.70 -1.55 116.57 125.43 2pnk h LYS 380 Ca 0.29 -0.57 -0.10 0.00 -1.06 0.00 0.00 60.65 59.20 2pnk h LYS 380 Cb -0.06 0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 2pnk h LYS 380 CO -0.08 1.20 -0.08 1.88 -2.06 0.00 0.00 179.45 180.31 2pnk h TYR 381 N 0.29 1.06 -0.74 -1.35 0.05 -0.71 -2.89 116.97 112.67 2pnk h TYR 381 Ca -0.10 -0.21 0.01 0.00 0.05 0.00 0.00 58.73 58.48 2pnk h TYR 381 Cb 1.64 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 39.08 2pnk h TYR 381 CO 0.08 1.00 0.49 0.22 -1.05 0.00 0.00 178.16 178.89 2pnk h ASP 382 N 0.81 0.83 -0.87 3.88 3.58 -1.09 0.13 116.42 123.69 2pnk h ASP 382 Ca 0.13 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2pnk h ASP 382 Cb 0.63 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 2pnk h ASP 382 CO 0.04 0.60 0.55 0.44 -2.88 0.00 0.00 179.24 177.98 2pnk h ASP 383 N 0.98 1.03 0.89 2.28 3.32 -1.19 0.46 116.42 124.20 2pnk h ASP 383 Ca 0.28 -0.05 -0.23 0.00 0.02 0.00 0.00 57.03 57.05 2pnk h ASP 383 Cb -0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 2pnk h ASP 383 CO -0.07 0.78 -1.09 0.16 -1.72 0.00 0.00 179.24 177.30 2pnk h ILE 384 N 1.20 1.63 -0.90 0.35 3.07 -1.18 -2.47 117.51 119.21 2pnk h ILE 384 Ca 0.32 -3.31 0.05 0.00 1.55 0.00 0.00 64.86 63.47 2pnk h ILE 384 Cb -0.08 2.85 -0.06 0.00 -0.27 0.00 0.00 36.82 39.26 2pnk h ILE 384 CO -0.06 0.94 0.57 -0.07 -1.05 0.00 0.00 178.15 178.48 2pnk h LEU 385 N 0.02 0.92 -1.26 0.16 3.38 -0.52 -1.50 115.31 116.50 2pnk h LEU 385 Ca -0.05 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2pnk h LEU 385 Cb 1.83 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 2pnk h LEU 385 CO 0.14 0.60 -0.28 1.56 0.09 0.00 0.00 178.44 180.56 2pnk h GLN 386 N 1.06 0.00 -0.00 1.13 1.08 -0.81 -1.35 115.11 116.22 2pnk h GLN 386 Ca 0.38 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 2pnk h GLN 386 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2pnk h GLN 386 CO -0.16 0.28 0.00 0.00 -0.95 0.00 0.00 178.83 178.00 2pnk n ALA 387 N -2.30 2.68 0.00 3.87 0.00 -0.75 -4.91 120.51 119.10 2pnk n ALA 387 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2pnk n ALA 387 Cb 0.41 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.98 0.43 3.74 0.00 0.00 -0.51 -5.07 105.19 104.77 2pnk n GLY 388 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2pnk n GLY 388 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2pnk s TRP 389 N -2.00 3.70 -0.62 1.61 -0.11 -0.64 -4.99 118.94 115.89 2pnk s TRP 389 Ca 0.00 1.70 -0.17 0.00 1.22 0.00 0.00 56.10 58.85 2pnk s TRP 389 Cb 0.00 -3.19 0.13 0.00 -1.50 0.00 0.00 33.47 28.91 2pnk s TRP 389 CO 0.00 -0.28 0.65 -1.21 -4.62 0.00 0.00 176.95 171.49 2pnk s GLU 390 N -0.61 3.12 0.24 5.86 0.41 -1.26 -3.98 118.70 122.49 2pnk s GLU 390 Ca 0.47 -1.66 -0.30 0.00 -0.41 0.00 0.00 54.97 53.07 2pnk s GLU 390 Cb -0.28 -4.33 -0.09 0.00 -1.78 0.00 0.00 34.13 27.65 2pnk s GLU 390 CO 0.34 -1.43 1.14 0.08 -0.49 0.00 0.00 175.26 174.91 2pnk s VAL 391 N 1.89 3.49 0.28 2.63 1.01 -1.26 -5.05 120.40 123.39 2pnk s VAL 391 Ca 0.10 1.40 0.08 0.00 0.00 0.00 0.00 61.98 63.56 2pnk s VAL 391 Cb -0.24 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2pnk s VAL 391 CO 0.02 0.29 0.15 0.42 0.00 0.00 0.00 175.10 175.99 2pnk s THR 392 N -0.73 3.83 0.29 3.92 -4.23 -1.26 -4.46 115.64 113.00 2pnk s THR 392 Ca 0.48 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 2pnk s THR 392 Cb -0.32 -3.16 0.15 0.00 1.34 0.00 0.00 72.50 70.50 2pnk s THR 392 CO 0.40 -0.30 1.83 -0.08 -0.54 0.00 0.00 174.62 175.92 2pnk h GLU 393 N 1.56 0.74 -0.63 3.99 4.81 -1.99 -1.58 114.58 121.47 2pnk h GLU 393 Ca -0.46 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 58.57 2pnk h GLU 393 Cb 1.25 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 2pnk h GLU 393 CO 0.61 0.71 0.24 0.93 -0.73 0.00 0.00 179.01 180.76 2pnk h GLU 394 N 0.71 0.95 -0.75 1.92 3.07 -1.99 -0.31 114.58 118.19 2pnk h GLU 394 Ca 0.15 -0.18 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 2pnk h GLU 394 Cb 0.33 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 2pnk h GLU 394 CO 0.01 0.81 0.31 0.93 -1.40 0.00 0.00 179.01 179.67 2pnk h GLU 395 N 0.89 1.12 -0.30 2.33 5.08 -1.88 0.04 114.58 121.86 2pnk h GLU 395 Ca 0.21 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2pnk h GLU 395 Cb 0.22 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2pnk h GLU 395 CO -0.02 0.90 0.16 0.82 -1.00 0.00 0.00 179.01 179.88 2pnk h ILE 396 N 1.08 1.01 -0.61 3.13 2.04 -0.90 -0.54 117.51 122.72 2pnk h ILE 396 Ca 0.25 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.92 2pnk h ILE 396 Cb 0.19 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2pnk h ILE 396 CO -0.02 0.06 0.09 0.11 0.00 0.00 0.00 178.15 178.39 2pnk h LYS 397 N 0.34 1.00 0.07 2.37 1.57 -0.81 -0.65 116.57 120.47 2pnk h LYS 397 Ca 0.12 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2pnk h LYS 397 Cb 0.02 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2pnk h LYS 397 CO -0.07 0.93 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.62 2pnk h ARG 398 N 0.94 -0.10 -0.59 3.15 2.43 -0.71 0.60 114.38 120.11 2pnk h ARG 398 Ca 0.19 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2pnk h ARG 398 Cb 0.43 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 2pnk h ARG 398 CO 0.01 -0.03 0.35 -0.44 -1.51 0.00 0.00 179.97 178.35 2pnk h ASP 399 N -0.14 0.71 -0.84 -3.80 3.32 -0.86 -1.28 116.42 113.53 2pnk h ASP 399 Ca -0.01 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2pnk h ASP 399 Cb 0.11 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 2pnk h ASP 399 CO 0.02 0.56 0.42 0.58 -1.72 0.00 0.00 179.24 179.10 2pnk h VAL 400 N 0.79 1.26 -0.88 -1.35 2.07 -1.02 -1.78 116.25 115.34 2pnk h VAL 400 Ca 0.21 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2pnk h VAL 400 Cb -0.01 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 2pnk h VAL 400 CO -0.04 0.31 0.46 0.00 0.02 0.00 0.00 177.57 178.31 2pnk h ALA 401 N 1.22 1.13 -0.24 1.67 0.00 -0.27 -2.20 119.26 120.58 2pnk h ALA 401 Ca 0.29 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2pnk h ALA 401 Cb 0.10 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2pnk h ALA 401 CO -0.04 0.67 0.08 -0.44 0.00 0.00 0.00 179.25 179.52 2pnk h ASP 402 N 1.25 0.08 -0.13 0.00 3.32 -0.88 -0.26 116.42 119.79 2pnk h ASP 402 Ca 0.31 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.22 2pnk h ASP 402 Cb 0.07 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2pnk h ASP 402 CO -0.04 0.08 -0.52 -0.07 -1.72 0.00 0.00 179.24 176.97 2pnk h LEU 403 N 0.19 0.78 0.00 1.55 3.38 -1.16 -0.26 115.31 119.78 2pnk h LEU 403 Ca 0.11 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2pnk h LEU 403 Cb 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2pnk h LEU 403 CO -0.11 1.15 -0.87 0.49 0.09 0.00 0.00 178.44 179.18 2pnk n PHE 404 N -3.99 0.02 0.13 1.13 3.72 -0.84 -4.15 117.46 113.48 2pnk n PHE 404 Ca -0.03 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2pnk n PHE 404 Cb 0.60 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 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 -1.56 -1.83 0.05 4.37 2.88 -0.61 -1.71 113.62 115.20 2pnk n SER 405 Ca 0.04 0.49 -0.05 0.00 -1.33 0.00 0.00 58.87 58.02 2pnk n SER 405 Cb 0.35 1.87 0.15 0.00 -0.75 0.00 0.00 64.21 65.83 2pnk n SER 405 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2pnk h ARG 406 N 0.00 0.38 -0.98 -1.46 3.08 -1.05 -2.74 114.38 111.60 2pnk h ARG 406 Ca 0.00 -0.20 0.11 0.00 0.07 0.00 0.00 59.98 59.96 2pnk h ARG 406 Cb 0.00 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.98 2pnk h ARG 406 CO 0.00 0.76 0.62 -0.91 -1.07 0.00 0.00 179.97 179.36 2pnk h ASN 407 N 0.31 0.92 0.08 7.04 2.35 -1.26 0.74 115.58 125.75 2pnk h ASN 407 Ca 0.02 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2pnk h ASN 407 Cb 0.91 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2pnk h ASN 407 CO 0.08 0.51 -0.04 0.15 -1.65 0.00 0.00 177.43 176.48 2pnk h PHE 408 N 1.01 -0.10 -0.38 1.19 3.57 -1.73 -1.75 116.94 118.75 2pnk h PHE 408 Ca 0.47 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.89 2pnk h PHE 408 Cb 0.42 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2pnk h PHE 408 CO -0.01 0.30 -0.09 -1.49 -2.23 0.00 0.00 178.31 174.79 2pnk h TRP 409 N -0.53 0.71 -0.54 0.41 4.06 -1.30 -0.29 115.95 118.47 2pnk h TRP 409 Ca -0.01 -0.11 -0.07 0.00 2.06 0.00 0.00 58.89 60.75 2pnk h TRP 409 Cb 0.45 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 2pnk h TRP 409 CO 0.06 0.73 0.05 -0.09 -3.56 0.00 0.00 178.44 175.63 2pnk h ARG 410 N 0.60 0.91 -0.16 0.49 2.43 -0.86 -1.82 114.38 115.97 2pnk h ARG 410 Ca 0.11 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 2pnk h ARG 410 Cb 0.52 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2pnk h ARG 410 CO 0.03 0.90 -0.04 0.35 -1.51 0.00 0.00 179.97 179.70 2pnk h PHE 411 N 0.79 0.36 0.00 2.20 3.57 -0.66 -3.03 116.94 120.17 2pnk h PHE 411 Ca 0.16 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2pnk h PHE 411 Cb 0.46 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2pnk h PHE 411 CO 0.03 0.60 0.00 1.33 -2.23 0.00 0.00 178.31 178.04 2pnk n VAL 412 N -4.67 0.31 -2.63 1.41 0.24 -0.18 -4.90 118.33 107.92 2pnk n VAL 412 Ca -0.05 0.08 -0.10 0.00 -2.04 0.00 0.00 64.34 62.23 2pnk n VAL 412 Cb 0.27 -0.67 0.02 0.00 -1.47 0.00 0.00 33.84 31.99 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 0.88 0.17 3.22 7.63 0.00 -0.71 -4.84 105.19 111.55 2pnk n GLY 413 Ca 0.08 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 2pnk n GLY 413 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pnk s ARG 414 N -5.09 1.28 -0.01 1.61 1.81 -1.02 -5.07 118.95 112.46 2pnk s ARG 414 Ca 0.15 -1.68 -0.01 0.00 -1.72 0.00 0.00 55.73 52.46 2pnk s ARG 414 Cb -0.06 0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.60 2pnk s ARG 414 CO 0.18 -0.40 0.09 -0.80 -0.68 0.00 0.00 175.30 173.69 2pnk s ASN 415 N -3.20 5.73 1.13 0.23 0.01 -1.26 -4.50 114.94 113.09 2pnk s ASN 415 Ca 0.39 0.17 -0.17 0.00 -0.71 0.00 0.00 52.86 52.54 2pnk s ASN 415 Cb 0.07 -1.67 0.26 0.00 0.41 0.00 0.00 41.25 40.32 2pnk s ASN 415 CO 0.13 0.28 1.13 1.51 -1.51 0.00 0.00 177.10 178.65 2pnk s ASP 416 N -1.68 1.54 0.11 -1.22 1.47 -1.26 -4.73 116.67 110.91 2pnk s ASP 416 Ca 0.22 0.68 -0.23 0.00 1.18 0.00 0.00 52.55 54.40 2pnk s ASP 416 Cb -0.12 -0.98 -0.07 0.00 -0.34 0.00 0.00 42.92 41.41 2pnk s ASP 416 CO 0.13 -3.74 1.69 -0.74 0.68 0.00 0.00 175.17 173.18 2pnk h HIS 417 N -2.32 -0.30 -0.57 2.11 -0.00 -1.90 -1.09 115.15 111.07 2pnk h HIS 417 Ca -0.47 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 59.94 2pnk h HIS 417 Cb 1.29 0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 28.81 2pnk h HIS 417 CO -1.54 -0.18 0.35 0.28 -0.00 0.00 0.00 177.93 176.84 2pnk h VAL 418 N -0.19 1.07 -0.15 5.26 2.07 -1.93 -1.89 116.25 120.50 2pnk h VAL 418 Ca 0.05 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 2pnk h VAL 418 Cb 0.26 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2pnk h VAL 418 CO -0.14 0.13 -0.25 0.74 0.02 0.00 0.00 177.57 178.07 2pnk h THR 419 N 0.70 1.24 0.00 2.57 2.02 -1.90 -2.53 112.91 115.01 2pnk h THR 419 Ca 0.23 -1.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.23 2pnk h THR 419 Cb 0.01 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2pnk h THR 419 CO -0.09 0.34 -0.23 0.28 0.37 0.00 0.00 175.52 176.20 2pnk h SER 420 N 0.25 0.00 0.11 4.18 0.02 -0.56 -1.87 113.55 115.68 2pnk h SER 420 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2pnk h SER 420 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2pnk h SER 420 CO 0.04 0.23 -0.05 0.58 -1.14 0.00 0.00 176.83 176.48 2pnk h VAL 421 N 0.00 0.93 -0.59 2.27 2.07 -1.08 -3.32 116.25 116.52 2pnk h VAL 421 Ca -0.00 -1.32 0.12 0.00 0.82 0.00 0.00 66.70 66.32 2pnk h VAL 421 Cb 0.83 1.62 -0.09 0.00 -1.52 0.00 0.00 31.29 32.12 2pnk h VAL 421 CO 0.03 0.26 0.05 0.11 0.02 0.00 0.00 177.57 178.05 2pnk h LYS 422 N -0.89 0.17 0.00 1.57 1.57 -1.48 -3.52 116.57 113.99 2pnk h LYS 422 Ca -0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2pnk h LYS 422 Cb 0.54 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2pnk h LYS 422 CO 0.03 0.11 0.00 1.33 -0.57 0.00 0.00 179.45 180.35