#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnk s ILE 3 N 0.00 4.07 -0.06 0.44 1.01 -1.26 -4.89 121.20 120.51 2pnk s ILE 3 Ca 0.00 1.14 0.11 0.00 0.00 0.00 0.00 60.65 61.90 2pnk s ILE 3 Cb 0.00 -4.30 0.21 0.00 0.01 0.00 0.00 42.46 38.38 2pnk s ILE 3 CO 0.00 -0.73 1.10 -0.46 0.00 0.00 0.00 174.94 174.85 2pnk n ASN 4 N 8.16 1.08 -3.52 3.58 6.94 -1.26 -4.69 115.26 125.55 2pnk n ASN 4 Ca 0.15 -2.56 -0.12 0.00 -0.02 0.00 0.00 54.58 52.03 2pnk n ASN 4 Cb 0.48 -0.33 -0.04 0.00 -2.36 0.00 0.00 39.78 37.54 2pnk n ASN 4 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2pnk s SER 5 N -2.00 -0.43 0.28 0.53 1.04 -1.26 -5.02 113.70 106.84 2pnk s SER 5 Ca 0.20 -0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.53 2pnk s SER 5 Cb 0.19 0.53 0.42 0.00 0.10 0.00 0.00 66.02 67.26 2pnk s SER 5 CO -0.03 -0.88 1.93 -0.09 0.98 0.00 0.00 173.24 175.16 2pnk h ARG 6 N 2.28 1.13 -0.51 4.02 2.43 -1.97 -0.63 114.38 121.13 2pnk h ARG 6 Ca -0.33 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.76 2pnk h ARG 6 Cb 1.27 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 2pnk h ARG 6 CO 0.42 0.75 0.28 1.49 -1.51 0.00 0.00 179.97 181.39 2pnk h GLU 7 N 1.17 0.72 -0.16 0.20 4.81 -1.99 0.13 114.58 119.45 2pnk h GLU 7 Ca 0.36 -0.09 -0.20 0.00 -0.13 0.00 0.00 59.36 59.30 2pnk h GLU 7 Cb -0.00 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2pnk h GLU 7 CO -0.11 0.57 -0.71 0.28 -0.73 0.00 0.00 179.01 178.31 2pnk h VAL 8 N 0.68 1.30 -0.64 0.32 2.07 -1.94 -2.95 116.25 115.09 2pnk h VAL 8 Ca 0.18 -1.95 0.05 0.00 0.82 0.00 0.00 66.70 65.80 2pnk h VAL 8 Cb 0.06 1.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 2pnk h VAL 8 CO -0.03 0.61 0.36 0.25 0.02 0.00 0.00 177.57 178.79 2pnk h LEU 9 N 0.50 0.55 -0.79 2.57 5.85 -0.81 -0.54 115.31 122.64 2pnk h LEU 9 Ca -0.03 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2pnk h LEU 9 Cb 1.32 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2pnk h LEU 9 CO 0.14 0.37 0.49 0.00 -0.34 0.00 0.00 178.44 179.10 2pnk h ALA 10 N 1.32 1.06 -0.14 1.25 0.00 -0.69 -0.36 119.26 121.70 2pnk h ALA 10 Ca 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2pnk h ALA 10 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2pnk h ALA 10 CO -0.16 0.26 0.06 0.93 0.00 0.00 0.00 179.25 180.35 2pnk h GLU 11 N 0.93 0.21 -0.48 0.00 5.08 -1.24 -1.63 114.58 117.46 2pnk h GLU 11 Ca 0.33 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.58 2pnk h GLU 11 Cb 0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2pnk h GLU 11 CO -0.14 0.28 -0.02 0.87 -1.00 0.00 0.00 179.01 178.99 2pnk h LYS 12 N 0.09 0.86 -0.10 2.33 1.79 -0.81 -1.83 116.57 118.90 2pnk h LYS 12 Ca 0.05 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.21 2pnk h LYS 12 Cb 0.14 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2pnk h LYS 12 CO -0.01 0.91 -0.01 0.28 -1.08 0.00 0.00 179.45 179.54 2pnk h VAL 13 N 0.71 1.28 -0.94 0.50 2.07 -1.11 0.71 116.25 119.47 2pnk h VAL 13 Ca 0.13 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.77 2pnk h VAL 13 Cb 0.54 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 2pnk h VAL 13 CO 0.03 0.25 0.62 0.11 0.02 0.00 0.00 177.57 178.60 2pnk h LYS 14 N -0.12 1.22 -0.30 1.57 1.57 -1.28 0.88 116.57 120.10 2pnk h LYS 14 Ca 0.03 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 2pnk h LYS 14 Cb 0.40 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2pnk h LYS 14 CO 0.01 0.80 -0.15 -0.91 -0.57 0.00 0.00 179.45 178.63 2pnk h ASN 15 N 1.25 0.66 -0.54 0.86 2.35 -1.26 -0.23 115.58 118.66 2pnk h ASN 15 Ca 0.35 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2pnk h ASN 15 Cb -0.11 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 2pnk h ASN 15 CO -0.09 0.92 0.30 0.00 -1.65 0.00 0.00 177.43 176.92 2pnk h ALA 16 N 0.76 0.69 -0.22 -0.83 0.00 -0.44 -0.45 119.26 118.77 2pnk h ALA 16 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pnk h ALA 16 Cb 0.68 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2pnk h ALA 16 CO 0.05 0.20 0.10 0.28 0.00 0.00 0.00 179.25 179.88 2pnk h VAL 17 N 0.72 1.14 -0.86 0.00 2.07 -0.82 -1.99 116.25 116.51 2pnk h VAL 17 Ca 0.19 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2pnk h VAL 17 Cb 0.04 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2pnk h VAL 17 CO -0.03 0.14 0.50 -1.13 0.02 0.00 0.00 177.57 177.07 2pnk h ASN 18 N 0.22 1.06 1.87 0.57 -0.00 -0.79 -2.98 115.58 115.53 2pnk h ASN 18 Ca 0.08 -0.08 0.00 0.00 -0.00 0.00 0.00 56.30 56.29 2pnk h ASN 18 Cb 0.12 -0.27 0.00 0.00 -0.00 0.00 0.00 38.32 38.18 2pnk h ASN 18 CO -0.01 0.83 -0.00 0.78 -0.00 0.00 0.00 177.43 179.03 2pnk h ASN 19 N 1.19 0.00 -2.72 1.15 2.35 -0.99 -3.45 115.58 113.11 2pnk h ASN 19 Ca 0.31 -0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.50 2pnk h ASN 19 Cb -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2pnk h ASN 19 CO -0.05 0.00 1.09 -1.58 -1.65 0.00 0.00 177.43 175.24 2pnk s GLN 20 N -3.18 3.98 0.21 0.81 2.00 -0.76 -4.97 119.66 117.76 2pnk s GLN 20 Ca 0.08 1.86 -0.31 0.00 -2.00 0.00 0.00 55.36 54.98 2pnk s GLN 20 Cb 0.07 -3.99 -0.11 0.00 0.80 0.00 0.00 33.01 29.78 2pnk s GLN 20 CO 0.65 -1.07 1.60 -2.14 -0.50 0.00 0.00 175.29 173.84 2pnk s PRO 21 N 4.32 4.18 -0.03 1.67 0.02 -1.26 -4.93 135.00 138.96 2pnk s PRO 21 Ca 0.70 2.47 -0.17 0.00 0.02 0.00 0.00 61.00 64.02 2pnk s PRO 21 Cb -0.28 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 31.09 2pnk s PRO 21 CO 0.28 -0.63 0.47 0.08 -0.33 0.00 0.00 177.00 176.87 2pnk s VAL 22 N 0.77 5.03 -0.28 3.83 1.01 -0.05 -4.71 120.40 126.00 2pnk s VAL 22 Ca 0.69 0.97 -0.19 0.00 0.00 0.00 0.00 61.98 63.44 2pnk s VAL 22 Cb -0.46 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 2pnk s VAL 22 CO 0.36 0.47 0.55 -0.89 0.00 0.00 0.00 175.10 175.60 2pnk s THR 23 N -0.38 5.02 0.39 3.92 2.01 -0.29 -1.21 115.64 125.11 2pnk s THR 23 Ca 0.26 0.85 0.04 0.00 0.31 0.00 0.00 61.69 63.15 2pnk s THR 23 Cb -0.17 -3.89 -0.00 0.00 0.01 0.00 0.00 72.50 68.45 2pnk s THR 23 CO 0.13 -0.00 0.56 -0.62 -0.69 0.00 0.00 174.62 174.01 2pnk s ASP 24 N 1.58 5.88 -0.47 3.53 -1.08 0.13 -4.72 116.67 121.53 2pnk s ASP 24 Ca 0.22 0.01 -0.41 0.00 -0.52 0.00 0.00 52.55 51.85 2pnk s ASP 24 Cb -0.15 -1.33 -0.18 0.00 -1.46 0.00 0.00 42.92 39.80 2pnk s ASP 24 CO 0.10 -0.57 1.99 1.57 0.52 0.00 0.00 175.17 178.78 2pnk n HIS 26 N -1.85 1.07 -4.23 -5.34 -0.00 -1.26 -0.35 115.22 103.25 2pnk n HIS 26 Ca 0.01 0.71 -0.13 0.00 -0.00 0.00 0.00 57.72 58.31 2pnk n HIS 26 Cb 0.58 -2.12 -0.10 0.00 -0.00 0.00 0.00 29.99 28.35 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 5.59 0.15 -0.34 3.57 -4.23 -0.51 -0.93 115.64 118.94 2pnk s THR 27 Ca 1.11 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.69 2pnk s THR 27 Cb -1.39 -2.54 0.48 0.00 1.34 0.00 0.00 72.50 70.39 2pnk s THR 27 CO 0.61 0.00 1.45 1.41 -0.54 0.00 0.00 174.62 177.55 2pnk n HIS 28 N -0.33 1.89 -3.56 3.99 8.25 0.10 -2.18 115.22 123.38 2pnk n HIS 28 Ca 0.02 -2.02 -0.20 0.00 -0.26 0.00 0.00 57.72 55.26 2pnk n HIS 28 Cb 0.66 -0.57 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 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 -3.46 3.76 0.02 2.41 1.43 -1.20 -4.60 118.68 117.05 2pnk s LEU 29 Ca 0.49 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 2pnk s LEU 29 Cb 0.42 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 2pnk s LEU 29 CO 0.00 -0.45 -0.05 -0.36 0.23 0.00 0.00 176.35 175.73 2pnk s PHE 30 N -2.26 0.39 0.21 0.29 0.08 -1.26 -4.39 117.98 111.03 2pnk s PHE 30 Ca 0.45 -0.43 -0.31 0.00 0.12 0.00 0.00 56.93 56.75 2pnk s PHE 30 Cb -0.08 -0.25 -0.15 0.00 -0.57 0.00 0.00 43.02 41.97 2pnk s PHE 30 CO 0.29 -0.12 1.10 0.45 -0.10 0.00 0.00 175.22 176.85 2pnk n SER 31 N 1.81 1.27 0.30 1.36 2.88 -1.26 -4.74 113.62 115.24 2pnk n SER 31 Ca -0.21 1.15 0.17 0.00 -1.33 0.00 0.00 58.87 58.65 2pnk n SER 31 Cb 0.56 -1.23 0.95 0.00 -0.75 0.00 0.00 64.21 63.73 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 2.92 0.00 0.00 -1.46 0.13 -1.93 -1.34 132.00 130.32 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 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2pnk h PRO 32 CO 0.67 0.03 0.00 0.27 -0.23 0.00 0.00 178.00 178.74 2pnk n ASN 33 N -3.53 0.00 0.03 1.44 6.94 -1.26 -2.13 115.26 116.75 2pnk n ASN 33 Ca -0.02 0.50 0.10 0.00 -0.02 0.00 0.00 54.58 55.14 2pnk n ASN 33 Cb 0.13 -0.50 0.43 0.00 -2.36 0.00 0.00 39.78 37.48 2pnk n ASN 33 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2pnk n PHE 34 N -1.50 0.24 -2.40 -2.53 3.01 -0.50 -5.01 117.46 108.76 2pnk n PHE 34 Ca 0.04 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.59 2pnk n PHE 34 Cb 0.20 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.04 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 0.49 0.45 0.04 1.37 0.00 -0.91 -4.46 105.19 102.18 2pnk n GLY 35 Ca 0.04 -1.26 0.08 0.00 0.00 0.00 0.00 46.02 44.89 2pnk n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pnk n GLU 36 N 5.68 0.06 0.29 1.61 -0.58 -1.26 -2.29 120.64 124.14 2pnk n GLU 36 Ca 0.00 0.29 0.17 0.00 -0.42 0.00 0.00 57.16 57.20 2pnk n GLU 36 Cb 0.00 -1.61 0.84 0.00 -0.57 0.00 0.00 31.44 30.10 2pnk n GLU 36 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2pnk h ILE 37 N 0.00 0.23 -3.24 -3.67 3.07 -1.93 -3.38 117.51 108.59 2pnk h ILE 37 Ca 0.00 -0.41 -0.57 0.00 1.55 0.00 0.00 64.86 65.43 2pnk h ILE 37 Cb 0.29 1.32 -0.05 0.00 -0.27 0.00 0.00 36.82 38.11 2pnk h ILE 37 CO 0.00 0.05 1.06 -0.22 -1.05 0.00 0.00 178.15 177.99 2pnk s LEU 38 N -6.60 3.64 -0.02 0.16 2.96 -0.97 -4.79 118.68 113.07 2pnk s LEU 38 Ca -0.02 0.91 -0.18 0.00 -0.22 0.00 0.00 54.13 54.62 2pnk s LEU 38 Cb 0.12 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.21 2pnk s LEU 38 CO 0.53 -1.37 0.51 -0.76 -1.32 0.00 0.00 176.35 173.94 2pnk s LEU 39 N 5.26 4.41 0.11 -0.68 1.43 -1.26 -5.01 118.68 122.95 2pnk s LEU 39 Ca 0.61 1.04 -0.19 0.00 -1.03 0.00 0.00 54.13 54.55 2pnk s LEU 39 Cb -0.14 -2.77 0.05 0.00 0.03 0.00 0.00 46.19 43.35 2pnk s LEU 39 CO 0.31 0.16 0.47 -1.66 0.23 0.00 0.00 176.35 175.86 2pnk s TRP 40 N -0.36 -0.33 0.00 0.29 1.48 -1.26 -0.02 118.94 118.74 2pnk s TRP 40 Ca 0.27 0.12 0.00 0.00 -1.06 0.00 0.00 56.10 55.44 2pnk s TRP 40 Cb -0.17 0.35 0.00 0.00 -1.16 0.00 0.00 33.47 32.48 2pnk s TRP 40 CO 0.15 -0.72 0.00 -0.40 -4.06 0.00 0.00 176.95 171.92 2pnk n ASP 41 N -0.11 0.00 0.05 -2.66 5.68 -1.26 -4.59 116.55 113.66 2pnk n ASP 41 Ca -0.17 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.14 2pnk n ASP 41 Cb 0.63 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.96 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 1.17 -0.39 2.12 6.09 -1.96 -1.30 117.51 123.25 2pnk h ILE 42 Ca 0.00 -0.69 -0.11 0.00 -1.37 0.00 0.00 64.86 62.69 2pnk h ILE 42 Cb 0.00 0.98 -0.01 0.00 0.47 0.00 0.00 36.82 38.26 2pnk h ILE 42 CO 0.00 0.23 -0.21 0.44 -3.07 0.00 0.00 178.15 175.55 2pnk h ASP 43 N 0.40 0.78 -0.44 2.19 5.19 -1.95 -1.00 116.42 121.59 2pnk h ASP 43 Ca 0.09 -0.28 -0.11 0.00 -0.62 0.00 0.00 57.03 56.12 2pnk h ASP 43 Cb 0.29 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2pnk h ASP 43 CO 0.01 0.97 -0.14 -0.33 -3.12 0.00 0.00 179.24 176.63 2pnk h GLU 44 N 0.68 0.88 -0.60 3.56 4.39 -1.64 -1.83 114.58 120.01 2pnk h GLU 44 Ca 0.10 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 59.48 2pnk h GLU 44 Cb 0.71 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 2pnk h GLU 44 CO 0.05 1.00 0.36 -0.07 -1.16 0.00 0.00 179.01 179.19 2pnk h LEU 45 N 0.71 0.57 -0.78 1.33 3.38 -1.11 -1.85 115.31 117.57 2pnk h LEU 45 Ca 0.11 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2pnk h LEU 45 Cb 0.69 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2pnk h LEU 45 CO 0.05 0.39 -0.36 -0.07 0.09 0.00 0.00 178.44 178.54 2pnk h LEU 46 N 0.70 0.00 -2.54 1.67 3.38 -1.05 -3.01 115.31 114.46 2pnk h LEU 46 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2pnk h LEU 46 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2pnk h LEU 46 CO -0.12 0.36 0.00 0.35 0.09 0.00 0.00 178.44 179.12 2pnk n THR 47 N -3.42 0.78 -1.46 0.22 -2.24 -0.70 -4.69 114.28 102.77 2pnk n THR 47 Ca 0.00 -0.88 -0.50 0.00 -2.27 0.00 0.00 64.05 60.40 2pnk n THR 47 Cb 0.54 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.42 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 1.59 0.15 0.30 4.78 9.36 -0.71 -4.70 117.16 127.93 2pnk n TYR 48 Ca 0.22 0.92 0.15 0.00 3.32 0.00 0.00 57.90 62.52 2pnk n TYR 48 Cb 0.61 -2.06 0.92 0.00 -0.63 0.00 0.00 39.34 38.19 2pnk n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 2pnk h HIS 49 N 1.80 0.00 -0.86 2.98 2.07 -1.92 -0.19 115.15 119.03 2pnk h HIS 49 Ca -0.36 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.22 2pnk h HIS 49 Cb 1.41 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.33 2pnk h HIS 49 CO 0.47 0.01 0.53 1.88 -3.07 0.00 0.00 177.93 177.75 2pnk h TYR 50 N 0.00 0.99 0.00 6.12 -1.99 -1.95 -1.94 116.97 118.20 2pnk h TYR 50 Ca -0.00 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 2pnk h TYR 50 Cb 0.02 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.42 2pnk h TYR 50 CO 0.00 0.51 -0.47 -0.07 -0.00 0.00 0.00 178.16 178.13 2pnk h LEU 51 N 0.98 0.00 0.14 3.88 3.38 -1.35 -2.90 115.31 119.44 2pnk h LEU 51 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 2pnk h LEU 51 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2pnk h LEU 51 CO -0.17 0.33 -0.07 0.58 0.09 0.00 0.00 178.44 179.20 2pnk h VAL 52 N 0.00 0.94 -0.51 1.22 2.07 -0.99 0.37 116.25 119.35 2pnk h VAL 52 Ca -0.02 -0.31 0.10 0.00 0.82 0.00 0.00 66.70 67.30 2pnk h VAL 52 Cb 1.26 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 32.06 2pnk h VAL 52 CO 0.04 0.07 -0.18 0.00 0.02 0.00 0.00 177.57 177.53 2pnk h ALA 53 N 0.50 0.25 -0.46 1.67 0.00 -1.39 -2.70 119.26 117.13 2pnk h ALA 53 Ca -0.02 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2pnk h ALA 53 Cb 0.27 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2pnk h ALA 53 CO 0.03 -0.50 0.02 0.93 0.00 0.00 0.00 179.25 179.73 2pnk h GLU 54 N -0.06 0.80 -2.02 0.00 5.08 -1.38 -3.16 114.58 113.85 2pnk h GLU 54 Ca 0.24 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pnk h GLU 54 Cb 0.43 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2pnk h GLU 54 CO -0.56 0.85 0.01 1.55 -1.00 0.00 0.00 179.01 179.86 2pnk n VAL 55 N -4.39 0.38 0.00 3.13 3.14 0.11 -3.88 118.33 116.81 2pnk n VAL 55 Ca 0.00 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2pnk n VAL 55 Cb 0.29 -1.11 0.00 0.00 -1.06 0.00 0.00 33.84 31.97 2pnk n VAL 55 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2pnk n ARG 57 N 1.93 0.00 -0.04 1.45 1.74 -1.19 -1.32 116.66 119.23 2pnk n ARG 57 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 2pnk n ARG 57 Cb 0.10 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.50 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 -2.32 -1.55 7.02 -1.25 -5.08 117.44 114.26 2pnk n TRP 58 Ca 0.00 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.14 2pnk n TRP 58 Cb 0.00 -0.28 -0.01 0.00 -2.42 0.00 0.00 31.31 28.60 2pnk n TRP 58 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2pnk s THR 59 N -2.15 3.59 -0.80 -0.99 -1.32 -0.43 -4.95 115.64 108.59 2pnk s THR 59 Ca -0.10 0.93 0.26 0.00 -1.21 0.00 0.00 61.69 61.56 2pnk s THR 59 Cb 0.03 -3.37 0.12 0.00 -1.51 0.00 0.00 72.50 67.77 2pnk s THR 59 CO 0.16 -0.28 1.54 0.47 -2.21 0.00 0.00 174.62 174.31 2pnk n ASP 60 N -1.35 0.56 -4.70 8.08 8.00 -1.26 -4.88 116.55 120.99 2pnk n ASP 60 Ca 0.10 0.20 -0.42 0.00 0.71 0.00 0.00 54.79 55.38 2pnk n ASP 60 Cb 0.52 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 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 -3.09 3.14 0.66 2.53 1.01 -1.26 -4.98 120.40 118.41 2pnk s VAL 61 Ca 0.10 0.72 -0.17 0.00 0.00 0.00 0.00 61.98 62.63 2pnk s VAL 61 Cb 0.15 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2pnk s VAL 61 CO 0.66 0.03 1.19 -0.94 0.00 0.00 0.00 175.10 176.04 2pnk s SER 62 N 1.64 4.76 0.44 3.32 1.04 -1.26 -4.82 113.70 118.82 2pnk s SER 62 Ca 0.68 2.31 0.11 0.00 0.48 0.00 0.00 55.95 59.54 2pnk s SER 62 Cb -0.38 -2.59 0.98 0.00 0.10 0.00 0.00 66.02 64.13 2pnk s SER 62 CO 0.30 -1.88 2.04 -0.29 0.98 0.00 0.00 173.24 174.39 2pnk h ILE 63 N 0.25 1.10 0.18 -1.02 6.09 -1.97 0.30 117.51 122.43 2pnk h ILE 63 Ca -0.49 -0.35 -0.01 0.00 -1.37 0.00 0.00 64.86 62.64 2pnk h ILE 63 Cb 1.29 0.96 0.00 0.00 0.47 0.00 0.00 36.82 39.54 2pnk h ILE 63 CO 0.53 0.12 -0.09 -0.33 -3.07 0.00 0.00 178.15 175.31 2pnk h GLU 64 N 0.22 -0.23 -0.84 2.19 3.07 -1.93 -1.53 114.58 115.53 2pnk h GLU 64 Ca 0.05 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.99 2pnk h GLU 64 Cb 0.13 0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.04 2pnk h GLU 64 CO 0.00 0.06 0.55 0.00 -1.40 0.00 0.00 179.01 178.22 2pnk h ALA 65 N 0.24 1.58 0.12 3.43 0.00 -1.85 -2.17 119.26 120.60 2pnk h ALA 65 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2pnk h ALA 65 Cb 0.40 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2pnk h ALA 65 CO 0.04 0.30 -0.06 0.35 0.00 0.00 0.00 179.25 179.88 2pnk h PHE 66 N 0.93 -0.15 0.00 0.00 3.57 -0.71 -2.65 116.94 117.94 2pnk h PHE 66 Ca 0.36 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 2pnk h PHE 66 Cb 0.21 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2pnk h PHE 66 CO -0.00 -0.00 -0.05 -1.49 -2.23 0.00 0.00 178.31 174.53 2pnk h TRP 67 N -0.26 0.00 0.00 0.41 -0.00 -1.02 -3.45 115.95 111.63 2pnk h TRP 67 Ca -0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 58.89 58.54 2pnk h TRP 67 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.35 2pnk h TRP 67 CO -0.04 0.05 1.34 0.00 -0.00 0.00 0.00 178.44 179.80 2pnk n ALA 68 N -2.34 5.91 -2.55 1.49 0.00 -0.84 -5.06 120.51 117.12 2pnk n ALA 68 Ca -0.03 -2.14 -0.21 0.00 0.00 0.00 0.00 53.44 51.06 2pnk n ALA 68 Cb 0.15 -2.71 -0.04 0.00 0.00 0.00 0.00 19.45 16.85 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 2.38 5.26 0.22 0.00 1.04 -1.26 -5.09 113.70 116.25 2pnk s SER 70 Ca 0.57 -0.49 -0.07 0.00 0.48 0.00 0.00 55.95 56.44 2pnk s SER 70 Cb 0.22 -1.01 0.35 0.00 0.10 0.00 0.00 66.02 65.67 2pnk s SER 70 CO -0.02 -0.30 1.75 0.50 0.98 0.00 0.00 173.24 176.15 2pnk h LYS 71 N 1.32 0.47 -0.60 4.02 1.63 -1.97 0.21 116.57 121.65 2pnk h LYS 71 Ca -0.45 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.22 2pnk h LYS 71 Cb 1.25 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 2pnk h LYS 71 CO 0.59 0.31 -0.01 -0.09 -3.45 0.00 0.00 179.45 176.80 2pnk h ARG 72 N 0.48 1.07 -0.67 1.90 2.43 -1.99 -0.20 114.38 117.42 2pnk h ARG 72 Ca 0.35 -0.35 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2pnk h ARG 72 Cb 0.44 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2pnk h ARG 72 CO -0.32 1.05 0.25 0.93 -1.51 0.00 0.00 179.97 180.38 2pnk h GLU 73 N 0.97 1.01 0.06 0.20 5.08 -1.82 -0.18 114.58 119.89 2pnk h GLU 73 Ca 0.17 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2pnk h GLU 73 Cb 0.58 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2pnk h GLU 73 CO 0.03 0.85 -0.03 1.96 -1.00 0.00 0.00 179.01 180.83 2pnk h GLN 74 N 0.95 -0.07 -0.71 2.33 4.20 -0.77 -0.97 115.11 120.07 2pnk h GLN 74 Ca 0.22 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.96 2pnk h GLN 74 Cb 0.23 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 2pnk h GLN 74 CO -0.02 0.02 0.46 0.00 -0.67 0.00 0.00 178.83 178.62 2pnk h ALA 75 N 0.80 0.93 -0.49 3.87 0.00 -0.94 -1.44 119.26 121.99 2pnk h ALA 75 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2pnk h ALA 75 Cb 0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2pnk h ALA 75 CO 0.01 0.26 0.26 -0.44 0.00 0.00 0.00 179.25 179.34 2pnk h ASP 76 N 0.90 0.40 -0.32 0.00 3.32 -0.79 -0.35 116.42 119.57 2pnk h ASP 76 Ca 0.28 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 2pnk h ASP 76 Cb -0.02 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2pnk h ASP 76 CO -0.09 0.28 0.10 0.25 -1.72 0.00 0.00 179.24 178.06 2pnk h LEU 77 N 0.52 0.47 -0.53 1.55 5.85 -0.80 -1.40 115.31 120.98 2pnk h LEU 77 Ca 0.21 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 2pnk h LEU 77 Cb 0.09 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2pnk h LEU 77 CO -0.13 0.55 -0.02 0.40 -0.34 0.00 0.00 178.44 178.91 2pnk h ILE 78 N 0.37 1.26 0.06 4.05 2.04 -1.10 -1.27 117.51 122.92 2pnk h ILE 78 Ca 0.10 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.86 2pnk h ILE 78 Cb 0.25 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 2pnk h ILE 78 CO -0.00 0.40 -0.30 -0.25 0.00 0.00 0.00 178.15 178.00 2pnk h TRP 79 N 0.82 -0.80 -0.21 1.37 2.91 -0.95 0.10 115.95 119.18 2pnk h TRP 79 Ca 0.15 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.23 2pnk h TRP 79 Cb 0.55 0.35 -0.04 0.00 -0.51 0.00 0.00 29.16 29.51 2pnk h TRP 79 CO 0.04 -0.40 -0.05 1.49 -1.03 0.00 0.00 178.44 178.49 2pnk h GLU 80 N -0.48 -0.00 0.03 2.65 4.57 -1.07 -0.50 114.58 119.77 2pnk h GLU 80 Ca 0.05 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.96 2pnk h GLU 80 Cb 0.54 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.14 2pnk h GLU 80 CO -0.21 -0.00 -1.06 0.93 -1.18 0.00 0.00 179.01 177.48 2pnk h GLU 81 N -0.00 0.60 0.00 1.92 4.39 -1.06 0.22 114.58 120.65 2pnk h GLU 81 Ca 0.10 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 59.12 2pnk h GLU 81 Cb 0.15 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2pnk h GLU 81 CO -0.22 1.28 -1.73 1.28 -1.16 0.00 0.00 179.01 178.46 2pnk n LEU 82 N -3.80 0.24 -0.03 1.33 4.77 0.34 -3.78 117.00 116.06 2pnk n LEU 82 Ca -0.10 -0.04 -0.05 0.00 -0.03 0.00 0.00 56.01 55.78 2pnk n LEU 82 Cb 0.89 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.95 2pnk n LEU 82 CO 0.55 0.02 -0.72 0.49 -1.33 0.00 0.00 177.39 176.40 2pnk n PHE 83 N -2.18 0.00 -0.04 -1.77 3.01 -0.24 -3.25 117.46 112.99 2pnk n PHE 83 Ca -0.02 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.22 2pnk n PHE 83 Cb 0.53 -0.25 -0.13 0.00 -0.01 0.00 0.00 39.48 39.62 2pnk n PHE 83 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2pnk h ILE 84 N -0.08 0.85 0.00 4.37 1.08 -1.10 -3.39 117.51 119.24 2pnk h ILE 84 Ca -0.16 -2.29 -0.02 0.00 -0.39 0.00 0.00 64.86 62.00 2pnk h ILE 84 Cb 1.20 2.45 -0.00 0.00 -3.07 0.00 0.00 36.82 37.40 2pnk h ILE 84 CO -0.05 0.62 -0.27 0.11 -0.69 0.00 0.00 178.15 177.87 2pnk h LYS 85 N -0.45 0.00 -3.91 2.37 1.57 -0.74 -3.45 116.57 111.96 2pnk h LYS 85 Ca -0.36 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.29 2pnk h LYS 85 Cb 1.67 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.81 2pnk h LYS 85 CO -0.04 0.08 -0.58 1.03 -0.57 0.00 0.00 179.45 179.38 2pnk s ARG 86 N -3.19 0.55 0.35 3.15 3.00 -1.25 -5.05 118.95 116.52 2pnk s ARG 86 Ca 0.05 -0.82 -0.27 0.00 0.00 0.00 0.00 55.73 54.69 2pnk s ARG 86 Cb 0.06 0.21 -0.09 0.00 0.00 0.00 0.00 34.95 35.13 2pnk s ARG 86 CO 0.70 -0.13 1.17 -1.12 0.00 0.00 0.00 175.30 175.92 2pnk s SER 87 N -2.17 6.83 -1.35 0.23 0.01 -1.26 -3.39 113.70 112.60 2pnk s SER 87 Ca -0.04 2.37 -0.09 0.00 1.31 0.00 0.00 55.95 59.50 2pnk s SER 87 Cb -0.01 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.52 2pnk s SER 87 CO -0.05 -0.46 2.62 -0.81 0.41 0.00 0.00 173.24 174.95 2pnk n PRO 88 N 0.58 3.06 0.11 12.44 -0.04 -1.20 -4.65 135.00 145.30 2pnk n PRO 88 Ca 0.02 -1.93 0.12 0.00 -0.04 0.00 0.00 63.50 61.66 2pnk n PRO 88 Cb 0.45 -2.69 0.14 0.00 -0.04 0.00 0.00 33.50 31.36 2pnk n PRO 88 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2pnk h VAL 89 N 3.21 0.00 -4.23 0.52 -1.51 -1.90 -3.18 116.25 109.16 2pnk h VAL 89 Ca 0.72 -0.75 -0.51 0.00 -1.23 0.00 0.00 66.70 64.93 2pnk h VAL 89 Cb 0.25 1.42 0.17 0.00 -2.13 0.00 0.00 31.29 31.00 2pnk h VAL 89 CO 1.67 0.00 0.25 -0.94 -1.23 0.00 0.00 177.57 177.32 2pnk s SER 90 N -4.99 3.46 0.20 4.19 1.04 -1.26 -4.76 113.70 111.58 2pnk s SER 90 Ca 0.05 1.99 -0.11 0.00 0.48 0.00 0.00 55.95 58.36 2pnk s SER 90 Cb 0.10 -2.52 0.17 0.00 0.10 0.00 0.00 66.02 63.88 2pnk s SER 90 CO 0.72 -2.73 1.85 -0.08 0.98 0.00 0.00 173.24 173.98 2pnk h GLU 91 N -1.61 0.81 -0.42 4.02 4.57 -1.97 -0.63 114.58 119.35 2pnk h GLU 91 Ca -0.44 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.64 2pnk h GLU 91 Cb 1.26 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 2pnk h GLU 91 CO 0.46 0.53 0.09 0.00 -1.18 0.00 0.00 179.01 178.92 2pnk h ALA 92 N 1.29 0.55 -0.18 2.92 0.00 -1.95 -0.26 119.26 121.62 2pnk h ALA 92 Ca 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2pnk h ALA 92 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2pnk h ALA 92 CO -0.10 0.24 -0.01 0.00 0.00 0.00 0.00 179.25 179.38 2pnk h ARG 94 N 0.07 0.32 -0.87 0.00 2.43 -1.08 -1.92 114.38 113.32 2pnk h ARG 94 Ca 0.05 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2pnk h ARG 94 Cb 0.41 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 2pnk h ARG 94 CO 0.01 0.21 0.58 0.78 -1.51 0.00 0.00 179.97 180.04 2pnk h GLY 95 N 0.33 1.24 0.80 2.80 0.00 -0.80 0.45 103.07 107.88 2pnk h GLY 95 Ca 0.42 -0.44 0.03 0.00 0.00 0.00 0.00 47.33 47.34 2pnk h GLY 95 CO -0.48 0.41 0.18 -2.08 0.00 0.00 0.00 176.54 174.57 2pnk h VAL 96 N 1.13 0.97 -0.34 4.60 2.07 -1.03 -1.58 116.25 122.06 2pnk h VAL 96 Ca 0.34 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 2pnk h VAL 96 Cb -0.05 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2pnk h VAL 96 CO -0.09 0.07 0.15 -0.07 0.02 0.00 0.00 177.57 177.65 2pnk h LEU 97 N 0.37 0.46 -1.04 2.57 3.38 -1.14 -1.84 115.31 118.06 2pnk h LEU 97 Ca 0.16 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.09 2pnk h LEU 97 Cb 0.08 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 2pnk h LEU 97 CO -0.12 0.48 0.63 0.74 0.09 0.00 0.00 178.44 180.26 2pnk h THR 98 N 0.42 0.96 -0.19 0.22 2.02 -0.76 -1.20 112.91 114.38 2pnk h THR 98 Ca 0.12 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2pnk h THR 98 Cb 0.15 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 2pnk h THR 98 CO -0.01 0.19 0.03 0.00 0.37 0.00 0.00 175.52 176.10 2pnk h LEU 100 N 0.11 0.37 -0.61 0.00 3.38 -0.89 -2.03 115.31 115.65 2pnk h LEU 100 Ca 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2pnk h LEU 100 Cb 0.31 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2pnk h LEU 100 CO 0.00 0.26 0.33 -0.61 0.09 0.00 0.00 178.44 178.51 2pnk h GLN 101 N 0.49 0.85 0.00 1.13 4.15 -1.18 0.59 115.11 121.14 2pnk h GLN 101 Ca 0.20 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 2pnk h GLN 101 Cb 0.09 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 2pnk h GLN 101 CO -0.13 0.65 -0.25 0.78 -1.93 0.00 0.00 178.83 177.95 2pnk h GLY 102 N 0.83 0.00 1.30 2.39 0.00 -0.90 -1.11 103.07 105.57 2pnk h GLY 102 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2pnk h GLY 102 CO -0.03 0.00 -0.06 1.04 0.00 0.00 0.00 176.54 177.48 2pnk n LEU 103 N -3.88 0.21 0.00 3.11 4.77 -0.80 -4.91 117.00 115.50 2pnk n LEU 103 Ca -0.02 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2pnk n LEU 103 Cb 0.34 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2pnk n LEU 103 CO 0.35 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2pnk n GLY 104 N 1.30 0.74 3.88 -0.72 0.00 -0.42 -5.07 105.19 104.91 2pnk n GLY 104 Ca 0.14 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2pnk n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pnk s LEU 105 N 0.00 3.61 -0.37 0.99 1.43 0.17 -4.99 118.68 119.52 2pnk s LEU 105 Ca 0.00 1.16 -0.05 0.00 -1.03 0.00 0.00 54.13 54.21 2pnk s LEU 105 Cb 0.00 -4.11 0.07 0.00 0.03 0.00 0.00 46.19 42.19 2pnk s LEU 105 CO 0.00 -0.58 0.15 -0.62 0.23 0.00 0.00 176.35 175.53 2pnk s ASP 106 N -3.70 5.27 0.39 2.29 2.15 -1.26 -3.70 116.67 118.10 2pnk s ASP 106 Ca 0.51 -1.55 0.28 0.00 0.43 0.00 0.00 52.55 52.23 2pnk s ASP 106 Cb -0.10 -1.85 1.33 0.00 -0.30 0.00 0.00 42.92 42.00 2pnk s ASP 106 CO 0.41 -0.43 1.85 -0.65 -0.17 0.00 0.00 175.17 176.18 2pnk h PRO 107 N 8.16 0.00 -0.30 4.34 0.11 -1.91 -2.99 132.00 139.41 2pnk h PRO 107 Ca -0.19 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 2pnk h PRO 107 Cb 1.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2pnk h PRO 107 CO 0.65 0.00 0.09 0.00 -0.21 0.00 0.00 178.00 178.53 2pnk h ALA 108 N 2.10 1.60 0.00 -0.75 0.00 -2.01 -2.41 119.26 117.79 2pnk h ALA 108 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2pnk h ALA 108 Cb 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2pnk h ALA 108 CO 0.00 0.31 -0.15 1.79 0.00 0.00 0.00 179.25 181.20 2pnk h THR 109 N 0.42 0.00 -4.02 0.00 1.35 -1.97 -3.47 112.91 105.22 2pnk h THR 109 Ca 0.10 -0.75 -0.30 0.00 -0.55 0.00 0.00 66.41 64.91 2pnk h THR 109 Cb 0.14 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 2pnk h THR 109 CO -0.01 0.00 -0.41 0.54 -0.25 0.00 0.00 175.52 175.39 2pnk n ARG 110 N -2.65 -2.57 -3.09 4.72 1.74 -0.91 -4.88 116.66 109.03 2pnk n ARG 110 Ca 0.04 0.66 -0.44 0.00 -0.77 0.00 0.00 57.85 57.34 2pnk n ARG 110 Cb 0.49 -5.31 0.00 0.00 -1.02 0.00 0.00 32.46 26.61 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 -1.97 5.39 -0.22 0.55 -0.08 -1.26 -4.85 116.55 114.11 2pnk n ASP 111 Ca -0.14 -3.02 -0.00 0.00 -1.51 0.00 0.00 54.79 50.12 2pnk n ASP 111 Cb 0.61 -1.48 0.23 0.00 2.34 0.00 0.00 41.12 42.83 2pnk n ASP 111 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2pnk h LEU 112 N 8.20 0.87 -0.52 -2.67 5.85 -1.98 -1.43 115.31 123.63 2pnk h LEU 112 Ca 0.26 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.96 2pnk h LEU 112 Cb 0.85 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2pnk h LEU 112 CO 1.17 0.66 0.32 -0.61 -0.34 0.00 0.00 178.44 179.64 2pnk h GLN 113 N 1.01 0.63 -0.31 1.25 5.75 -2.00 -0.88 115.11 120.57 2pnk h GLN 113 Ca 0.27 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.63 2pnk h GLN 113 Cb -0.07 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.32 2pnk h GLN 113 CO -0.05 0.42 -0.22 0.28 -2.65 0.00 0.00 178.83 176.60 2pnk h VAL 114 N 0.65 1.26 -0.51 2.39 2.07 -1.83 -2.04 116.25 118.24 2pnk h VAL 114 Ca 0.20 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.47 2pnk h VAL 114 Cb -0.01 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2pnk h VAL 114 CO -0.08 0.41 0.33 1.88 0.02 0.00 0.00 177.57 180.13 2pnk h TYR 115 N 0.52 0.62 -0.63 1.57 0.05 -0.75 -2.81 116.97 115.55 2pnk h TYR 115 Ca 0.08 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 2pnk h TYR 115 Cb 0.67 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 2pnk h TYR 115 CO 0.03 0.37 0.36 0.00 -1.05 0.00 0.00 178.16 177.87 2pnk h ARG 116 N 0.66 0.85 -0.50 4.88 3.08 -0.84 -2.43 114.38 120.07 2pnk h ARG 116 Ca 0.20 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.18 2pnk h ARG 116 Cb -0.04 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 2pnk h ARG 116 CO -0.06 0.61 0.33 0.93 -1.07 0.00 0.00 179.97 180.71 2pnk h GLU 117 N 0.87 0.62 -0.64 0.04 5.08 -1.11 -2.59 114.58 116.84 2pnk h GLU 117 Ca 0.23 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2pnk h GLU 117 Cb -0.01 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2pnk h GLU 117 CO -0.04 0.41 0.42 -0.92 -1.00 0.00 0.00 179.01 177.88 2pnk h TYR 118 N 0.64 0.81 0.00 4.33 5.03 -1.38 -3.03 116.97 123.36 2pnk h TYR 118 Ca 0.19 0.02 -0.18 0.00 2.58 0.00 0.00 58.73 61.34 2pnk h TYR 118 Cb -0.01 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 37.98 2pnk h TYR 118 CO -0.00 0.52 -0.86 0.74 -1.32 0.00 0.00 178.16 177.24 2pnk h PHE 119 N 0.87 0.00 0.00 -3.82 0.04 -1.57 -3.18 116.94 109.28 2pnk h PHE 119 Ca 0.23 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.00 2pnk h PHE 119 Cb -0.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 2pnk h PHE 119 CO -0.03 0.86 -0.03 0.00 -0.60 0.00 0.00 178.31 178.51 2pnk h ALA 120 N 1.14 1.10 0.00 2.45 0.00 -1.35 -2.77 119.26 119.84 2pnk h ALA 120 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pnk h ALA 120 Cb 1.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2pnk h ALA 120 CO 0.11 0.04 -0.19 1.63 0.00 0.00 0.00 179.25 180.84 2pnk n LYS 121 N -3.27 0.22 -4.27 0.00 5.02 -1.20 -4.95 118.16 109.71 2pnk n LYS 121 Ca -0.02 0.14 -0.27 0.00 -2.02 0.00 0.00 58.31 56.14 2pnk n LYS 121 Cb 0.17 -1.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.38 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 -3.10 2.16 0.48 1.97 1.02 -1.05 -5.13 119.74 116.10 2pnk s LYS 122 Ca 0.10 -1.22 -0.05 0.00 0.02 0.00 0.00 55.97 54.82 2pnk s LYS 122 Cb 0.14 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 2pnk s LYS 122 CO 0.62 0.44 0.78 0.95 -0.92 0.00 0.00 175.35 177.23 2pnk s THR 123 N -1.71 4.83 0.28 2.17 -4.23 -1.26 -4.98 115.64 110.74 2pnk s THR 123 Ca 0.26 0.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.93 2pnk s THR 123 Cb -0.09 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 70.18 2pnk s THR 123 CO 0.16 -0.81 1.82 0.28 -0.54 0.00 0.00 174.62 175.53 2pnk h SER 124 N 0.22 0.85 -0.28 3.99 0.02 -1.97 -1.70 113.55 114.68 2pnk h SER 124 Ca -0.47 0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.41 2pnk h SER 124 Cb 1.21 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 2pnk h SER 124 CO 0.62 0.44 -0.28 -0.33 -1.14 0.00 0.00 176.83 176.13 2pnk h GLU 125 N 0.92 0.78 -0.62 3.45 3.07 -1.94 -1.70 114.58 118.54 2pnk h GLU 125 Ca 0.49 -0.35 -0.05 0.00 -0.50 0.00 0.00 59.36 58.95 2pnk h GLU 125 Cb 0.52 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 2pnk h GLU 125 CO -0.28 0.97 0.20 0.93 -1.40 0.00 0.00 179.01 179.43 2pnk h GLU 126 N 0.67 0.96 -0.09 2.33 5.08 -1.82 -2.77 114.58 118.94 2pnk h GLU 126 Ca 0.08 -0.20 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 2pnk h GLU 126 Cb 0.81 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2pnk h GLU 126 CO 0.07 0.85 -0.61 0.37 -1.00 0.00 0.00 179.01 178.68 2pnk h GLN 127 N 0.89 0.33 -0.21 2.33 5.75 -1.09 -1.41 115.11 121.69 2pnk h GLN 127 Ca 0.20 -0.23 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2pnk h GLN 127 Cb 0.28 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 2pnk h GLN 127 CO -0.01 0.84 0.11 0.28 -2.65 0.00 0.00 178.83 177.40 2pnk h VAL 128 N 0.24 1.00 -0.47 2.39 2.07 -1.31 0.28 116.25 120.45 2pnk h VAL 128 Ca -0.01 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2pnk h VAL 128 Cb 1.14 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2pnk h VAL 128 CO 0.10 0.04 0.28 0.44 0.02 0.00 0.00 177.57 178.45 2pnk h ASP 129 N 0.23 0.45 0.24 0.57 3.32 -1.25 -0.79 116.42 119.19 2pnk h ASP 129 Ca 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2pnk h ASP 129 Cb 0.01 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2pnk h ASP 129 CO -0.05 0.32 -0.11 0.74 -1.72 0.00 0.00 179.24 178.41 2pnk h THR 130 N 0.56 0.80 -0.48 0.35 2.02 -1.05 -2.51 112.91 112.59 2pnk h THR 130 Ca 0.19 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 2pnk h THR 130 Cb 0.02 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2pnk h THR 130 CO -0.09 0.05 0.06 0.58 0.37 0.00 0.00 175.52 176.49 2pnk h VAL 131 N -0.43 1.25 -0.80 3.16 2.07 -0.25 -0.51 116.25 120.74 2pnk h VAL 131 Ca -0.03 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 2pnk h VAL 131 Cb 0.33 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2pnk h VAL 131 CO 0.05 0.34 0.31 -0.07 0.02 0.00 0.00 177.57 178.22 2pnk h LEU 132 N 0.68 1.11 0.02 2.57 3.38 -1.21 0.30 115.31 122.16 2pnk h LEU 132 Ca 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pnk h LEU 132 Cb 0.42 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2pnk h LEU 132 CO 0.01 0.98 -0.01 -0.61 0.09 0.00 0.00 178.44 178.90 2pnk h GLN 133 N 1.16 -0.03 -0.23 1.13 4.15 -1.20 0.75 115.11 120.84 2pnk h GLN 133 Ca 0.26 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.59 2pnk h GLN 133 Cb 0.23 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2pnk h GLN 133 CO -0.02 0.12 -0.29 -0.07 -1.93 0.00 0.00 178.83 176.65 2pnk h LEU 134 N -0.18 0.46 0.00 -2.39 3.38 -0.78 -2.34 115.31 113.46 2pnk h LEU 134 Ca -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2pnk h LEU 134 Cb 0.17 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2pnk h LEU 134 CO 0.01 0.73 -0.20 0.00 0.09 0.00 0.00 178.44 179.07 2pnk n ALA 135 N -2.49 2.50 -3.55 1.53 0.00 0.10 -4.96 120.51 113.65 2pnk n ALA 135 Ca -0.01 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 2pnk n ALA 135 Cb 0.42 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.17 -2.84 -4.26 0.00 5.15 0.13 -4.86 115.26 106.41 2pnk n ASN 136 Ca 0.05 -0.78 -0.35 0.00 -0.60 0.00 0.00 54.58 52.91 2pnk n ASN 136 Cb 0.43 -4.44 -0.14 0.00 -0.53 0.00 0.00 39.78 35.09 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 -3.52 3.06 0.00 3.44 1.01 -0.45 -0.87 120.40 123.07 2pnk s VAL 137 Ca 0.14 -0.67 0.11 0.00 0.00 0.00 0.00 61.98 61.56 2pnk s VAL 137 Cb -0.03 -2.41 -0.21 0.00 0.00 0.00 0.00 36.38 33.73 2pnk s VAL 137 CO 0.79 0.40 0.89 0.77 0.00 0.00 0.00 175.10 177.94 2pnk h SER 138 N 8.07 0.00 -3.49 3.32 4.64 -1.46 -3.44 113.55 121.19 2pnk h SER 138 Ca -0.41 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.75 2pnk h SER 138 Cb 1.15 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.96 2pnk h SER 138 CO 0.61 0.96 -0.41 -1.81 -0.87 0.00 0.00 176.83 175.31 2pnk s ASP 139 N -6.27 -0.33 -0.10 4.97 1.01 -1.13 -4.76 116.67 110.06 2pnk s ASP 139 Ca -0.03 0.62 0.03 0.00 0.71 0.00 0.00 52.55 53.89 2pnk s ASP 139 Cb 0.09 0.54 -0.00 0.00 1.01 0.00 0.00 42.92 44.55 2pnk s ASP 139 CO 0.82 -0.15 -0.22 -0.69 0.21 0.00 0.00 175.17 175.14 2pnk s VAL 140 N 0.91 2.26 0.62 -1.27 1.01 0.24 -0.69 120.40 123.49 2pnk s VAL 140 Ca -0.06 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.01 2pnk s VAL 140 Cb -0.07 -1.88 0.09 0.00 0.00 0.00 0.00 36.38 34.53 2pnk s VAL 140 CO -0.06 0.55 0.86 -0.69 0.00 0.00 0.00 175.10 175.76 2pnk s VAL 141 N 0.28 2.24 -0.20 2.92 1.01 0.52 -0.13 120.40 127.05 2pnk s VAL 141 Ca -0.16 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 2pnk s VAL 141 Cb -0.17 -2.44 0.07 0.00 0.00 0.00 0.00 36.38 33.84 2pnk s VAL 141 CO 0.08 0.00 0.09 -0.89 0.00 0.00 0.00 175.10 174.38 2pnk s THR 143 N -2.85 0.04 -0.29 3.92 2.01 -0.92 -1.42 115.64 116.11 2pnk s THR 143 Ca 0.63 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 2pnk s THR 143 Cb -0.06 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.71 2pnk s THR 143 CO 0.41 -0.36 0.07 0.20 -0.69 0.00 0.00 174.62 174.24 2pnk s ASN 144 N 2.07 5.07 -0.40 3.53 -0.87 0.09 -4.95 114.94 119.50 2pnk s ASN 144 Ca 0.03 -0.75 -0.05 0.00 -1.57 0.00 0.00 52.86 50.52 2pnk s ASN 144 Cb -0.16 -1.86 0.09 0.00 -0.02 0.00 0.00 41.25 39.30 2pnk s ASN 144 CO -0.14 -0.20 0.20 -0.62 -2.57 0.00 0.00 177.10 173.77 2pnk s ASP 145 N 1.48 5.33 0.64 -1.22 -1.08 -1.26 -0.48 116.67 120.08 2pnk s ASP 145 Ca 0.02 -1.76 0.36 0.00 -0.52 0.00 0.00 52.55 50.65 2pnk s ASP 145 Cb -0.17 -1.87 1.98 0.00 -1.46 0.00 0.00 42.92 41.40 2pnk s ASP 145 CO 0.02 -0.51 2.17 -0.65 0.52 0.00 0.00 175.17 176.72 2pnk h PRO 146 N 8.17 0.00 -0.01 4.34 0.11 -1.98 -1.35 132.00 141.28 2pnk h PRO 146 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2pnk h PRO 146 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2pnk h PRO 146 CO 0.70 0.00 -0.12 1.19 -0.21 0.00 0.00 178.00 179.55 2pnk n PHE 147 N -3.25 0.00 -3.12 0.65 3.72 -1.26 -4.70 117.46 109.50 2pnk n PHE 147 Ca -0.02 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.95 2pnk n PHE 147 Cb 0.23 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 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 -2.35 6.24 0.30 4.37 -1.08 -0.51 -4.95 116.67 118.70 2pnk s ASP 148 Ca 0.31 -0.86 0.07 0.00 -0.52 0.00 0.00 52.55 51.55 2pnk s ASP 148 Cb 0.20 -2.31 0.81 0.00 -1.46 0.00 0.00 42.92 40.17 2pnk s ASP 148 CO 0.45 -0.94 1.70 0.44 0.52 0.00 0.00 175.17 177.34 2pnk h ASP 149 N 9.04 0.44 0.12 -0.34 5.19 -1.86 0.49 116.42 129.50 2pnk h ASP 149 Ca -0.27 0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.25 2pnk h ASP 149 Cb 1.09 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 2pnk h ASP 149 CO 0.98 0.01 -0.15 0.78 -3.12 0.00 0.00 179.24 177.75 2pnk h ASN 150 N 0.44 0.05 0.10 6.45 2.35 -1.95 -2.91 115.58 120.11 2pnk h ASN 150 Ca 0.60 -0.01 -0.37 0.00 -0.55 0.00 0.00 56.30 55.98 2pnk h ASN 150 Cb 1.18 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.50 2pnk h ASN 150 CO -0.53 0.21 -2.12 1.21 -1.65 0.00 0.00 177.43 174.55 2pnk n GLU 151 N -4.34 0.73 -0.22 0.81 2.13 -0.48 -4.45 120.64 114.83 2pnk n GLU 151 Ca -0.02 0.23 -0.00 0.00 0.66 0.00 0.00 57.16 58.03 2pnk n GLU 151 Cb 0.23 -1.66 0.11 0.00 0.27 0.00 0.00 31.44 30.39 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 0.05 0.55 -0.85 5.31 2.43 -0.87 -1.99 114.38 119.01 2pnk h ARG 152 Ca -0.46 -0.03 0.18 0.00 -0.81 0.00 0.00 59.98 58.85 2pnk h ARG 152 Cb 2.00 -0.12 -0.16 0.00 -0.42 0.00 0.00 29.97 31.27 2pnk h ARG 152 CO 0.04 0.36 -0.17 0.97 -1.51 0.00 0.00 179.97 179.67 2pnk h ILE 153 N 0.57 0.16 -0.68 1.20 6.09 -1.73 0.82 117.51 123.93 2pnk h ILE 153 Ca 0.32 -0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.83 2pnk h ILE 153 Cb 0.31 0.15 -0.04 0.00 0.47 0.00 0.00 36.82 37.70 2pnk h ILE 153 CO -0.25 0.00 0.43 0.28 -3.07 0.00 0.00 178.15 175.54 2pnk h SER 154 N 0.01 0.69 -0.21 2.19 0.02 -1.60 -0.67 113.55 113.99 2pnk h SER 154 Ca 0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 2pnk h SER 154 Cb 0.68 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2pnk h SER 154 CO -0.85 0.48 0.09 -0.50 -1.14 0.00 0.00 176.83 174.91 2pnk h TRP 155 N 0.83 0.31 -0.70 3.45 4.06 -0.96 -2.53 115.95 120.41 2pnk h TRP 155 Ca 0.28 -0.02 0.07 0.00 2.06 0.00 0.00 58.89 61.28 2pnk h TRP 155 Cb 0.03 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.05 2pnk h TRP 155 CO -0.05 0.33 0.46 -0.07 -3.56 0.00 0.00 178.44 175.56 2pnk h LEU 156 N 0.20 0.62 0.00 -4.49 3.38 -0.22 -1.26 115.31 113.54 2pnk h LEU 156 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2pnk h LEU 156 Cb 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2pnk h LEU 156 CO -0.01 0.39 0.00 -0.62 0.09 0.00 0.00 178.44 178.30 2pnk n GLU 157 N -4.48 0.88 -0.64 1.13 1.02 -0.34 -4.89 120.64 113.33 2pnk n GLU 157 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2pnk n GLU 157 Cb 0.25 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 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 0.72 0.71 3.77 0.62 0.00 -0.47 -5.03 105.19 105.50 2pnk n GLY 158 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2pnk n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnk s LYS 159 N -0.36 4.22 0.04 1.61 1.02 -0.97 -5.04 119.74 120.26 2pnk s LYS 159 Ca 0.00 2.06 0.07 0.00 0.02 0.00 0.00 55.97 58.11 2pnk s LYS 159 Cb 0.00 -2.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 2pnk s LYS 159 CO 0.00 -0.25 -0.17 -0.65 -0.92 0.00 0.00 175.35 173.37 2pnk s GLN 160 N -1.99 2.12 0.55 1.68 -1.52 -1.26 -4.64 119.66 114.60 2pnk s GLN 160 Ca 0.52 -0.96 -0.19 0.00 -1.95 0.00 0.00 55.36 52.78 2pnk s GLN 160 Cb -0.36 -2.22 -0.05 0.00 -0.22 0.00 0.00 33.01 30.15 2pnk s GLN 160 CO 0.47 0.54 1.15 -1.25 -0.25 0.00 0.00 175.29 175.95 2pnk s PRO 161 N -1.49 3.28 0.87 2.91 0.04 -1.26 -4.98 135.00 134.38 2pnk s PRO 161 Ca 0.15 1.66 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 2pnk s PRO 161 Cb -0.11 -2.00 0.12 0.00 0.04 0.00 0.00 34.50 32.56 2pnk s PRO 161 CO 0.06 -0.92 1.11 0.16 0.04 0.00 0.00 177.00 177.45 2pnk s ASP 162 N -1.72 3.46 0.11 6.66 1.47 -1.26 -4.87 116.67 120.52 2pnk s ASP 162 Ca 0.74 1.94 0.14 0.00 1.18 0.00 0.00 52.55 56.54 2pnk s ASP 162 Cb -0.25 -2.49 0.62 0.00 -0.34 0.00 0.00 42.92 40.45 2pnk s ASP 162 CO 0.28 -2.72 1.42 -1.54 0.68 0.00 0.00 175.17 173.29 2pnk n SER 163 N -3.97 0.25 0.08 2.11 3.41 -1.26 -1.34 113.62 112.90 2pnk n SER 163 Ca 0.10 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 2pnk n SER 163 Cb 0.53 -0.63 0.36 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.80 0.24 -4.57 4.33 1.74 -1.26 -4.52 116.66 110.83 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 0.11 -1.75 -0.14 0.00 -1.02 0.00 0.00 32.46 29.66 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 -3.11 2.87 0.10 -1.55 0.40 -0.45 -0.59 117.98 115.66 2pnk s PHE 165 Ca 0.10 -0.63 0.09 0.00 -0.60 0.00 0.00 56.93 55.88 2pnk s PHE 165 Cb 0.13 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 2pnk s PHE 165 CO 0.62 -0.23 -0.19 -1.01 0.70 0.00 0.00 175.22 175.11 2pnk s HIS 166 N 0.53 2.52 0.27 0.36 3.76 0.82 -4.67 115.29 118.87 2pnk s HIS 166 Ca -0.07 -0.28 -0.14 0.00 -0.15 0.00 0.00 55.06 54.43 2pnk s HIS 166 Cb -0.15 -1.36 -0.08 0.00 1.11 0.00 0.00 32.58 32.09 2pnk s HIS 166 CO 0.04 0.35 0.66 0.00 -0.85 0.00 0.00 174.74 174.93 2pnk s ALA 167 N -1.08 3.43 -0.06 -1.40 0.00 -1.26 -4.39 121.76 117.00 2pnk s ALA 167 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 2pnk s ALA 167 Cb -0.10 -2.65 0.04 0.00 0.00 0.00 0.00 23.12 20.41 2pnk s ALA 167 CO 0.09 0.40 0.11 0.00 0.00 0.00 0.00 175.76 176.36 2pnk s ALA 168 N -1.84 -0.08 -0.38 0.00 0.00 -1.26 -0.78 121.76 117.43 2pnk s ALA 168 Ca 0.49 0.48 -0.27 0.00 0.00 0.00 0.00 51.96 52.67 2pnk s ALA 168 Cb -0.12 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.46 2pnk s ALA 168 CO 0.19 -0.34 1.01 -1.17 0.00 0.00 0.00 175.76 175.46 2pnk s LEU 169 N 1.69 3.91 -0.13 0.00 2.96 -0.70 -0.73 118.68 125.68 2pnk s LEU 169 Ca -0.03 0.69 -0.19 0.00 -0.22 0.00 0.00 54.13 54.39 2pnk s LEU 169 Cb -0.12 -3.40 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 2pnk s LEU 169 CO -0.05 -0.94 0.50 -0.60 -1.32 0.00 0.00 176.35 173.94 2pnk s ARG 170 N 3.72 4.33 -0.06 1.98 3.52 0.37 -0.37 118.95 132.44 2pnk s ARG 170 Ca 0.42 0.47 0.08 0.00 -0.13 0.00 0.00 55.73 56.58 2pnk s ARG 170 Cb -0.11 -3.46 0.13 0.00 -1.56 0.00 0.00 34.95 29.95 2pnk s ARG 170 CO 0.20 0.11 1.03 1.28 -0.81 0.00 0.00 175.30 177.11 2pnk n LEU 171 N 3.84 1.89 -0.08 -0.88 4.77 -0.31 -4.38 117.00 121.86 2pnk n LEU 171 Ca -0.06 -2.28 -0.11 0.00 -0.03 0.00 0.00 56.01 53.53 2pnk n LEU 171 Cb 0.51 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 2pnk n LEU 171 CO 0.43 0.54 0.58 0.44 -1.33 0.00 0.00 177.39 178.05 2pnk h ASP 172 N 0.00 -1.39 -0.98 -1.43 5.19 -1.92 -1.37 116.42 114.52 2pnk h ASP 172 Ca 0.00 0.20 0.13 0.00 -0.62 0.00 0.00 57.03 56.74 2pnk h ASP 172 Cb 0.81 0.59 -0.09 0.00 0.18 0.00 0.00 39.33 40.83 2pnk h ASP 172 CO 0.00 -0.39 0.61 -0.65 -3.12 0.00 0.00 179.24 175.68 2pnk h PRO 173 N -0.39 0.91 -0.33 3.56 0.11 -1.95 0.49 132.00 134.40 2pnk h PRO 173 Ca 0.11 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 2pnk h PRO 173 Cb 0.60 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 2pnk h PRO 173 CO -0.50 0.60 0.03 1.25 -0.21 0.00 0.00 178.00 179.17 2pnk h LEU 174 N 0.94 0.54 0.13 2.35 5.85 -1.69 -1.71 115.31 121.73 2pnk h LEU 174 Ca 0.50 -0.28 -0.32 0.00 0.84 0.00 0.00 57.88 58.62 2pnk h LEU 174 Cb 0.53 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 2pnk h LEU 174 CO -0.28 0.68 -1.62 -0.07 -0.34 0.00 0.00 178.44 176.81 2pnk h LEU 175 N 0.38 0.44 0.00 2.25 3.38 -0.64 -3.27 115.31 117.85 2pnk h LEU 175 Ca 0.10 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2pnk h LEU 175 Cb 0.39 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2pnk h LEU 175 CO 0.01 1.54 -1.17 0.59 0.09 0.00 0.00 178.44 179.51 2pnk n ASN 176 N -3.47 0.81 -2.74 -0.43 3.02 0.17 -3.79 115.26 108.82 2pnk n ASN 176 Ca -0.19 -0.78 -0.02 0.00 -0.03 0.00 0.00 54.58 53.55 2pnk n ASN 176 Cb 1.05 1.19 0.05 0.00 -0.61 0.00 0.00 39.78 41.47 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 -1.63 1.85 -0.01 3.52 1.02 -0.65 -4.93 120.64 119.80 2pnk n GLU 177 Ca 0.02 -3.53 0.10 0.00 -0.02 0.00 0.00 57.16 53.73 2pnk n GLU 177 Cb 0.37 -1.63 0.51 0.00 -0.02 0.00 0.00 31.44 30.66 2pnk n GLU 177 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2pnk h TYR 178 N 2.54 0.38 -0.13 -0.32 3.20 -1.60 0.34 116.97 121.38 2pnk h TYR 178 Ca -0.10 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.73 2pnk h TYR 178 Cb 1.31 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 2pnk h TYR 178 CO 0.52 0.20 -0.16 1.49 -1.64 0.00 0.00 178.16 178.57 2pnk h GLU 179 N 0.37 0.20 0.02 1.82 4.57 -1.90 0.52 114.58 120.18 2pnk h GLU 179 Ca 0.20 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.23 2pnk h GLU 179 Cb 0.33 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2pnk h GLU 179 CO -0.05 0.37 -0.53 1.96 -1.18 0.00 0.00 179.01 179.58 2pnk h GLN 180 N 0.19 0.04 0.00 1.92 7.50 -1.67 -3.39 115.11 119.71 2pnk h GLN 180 Ca 0.04 -0.07 -0.04 0.00 0.50 0.00 0.00 58.65 59.08 2pnk h GLN 180 Cb 0.41 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.96 2pnk h GLN 180 CO 0.03 1.03 -0.20 1.15 -1.50 0.00 0.00 178.83 179.34 2pnk h THR 181 N -0.90 0.88 -0.59 -0.54 2.02 -0.67 -2.68 112.91 110.43 2pnk h THR 181 Ca -0.13 -0.76 0.10 0.00 0.77 0.00 0.00 66.41 66.39 2pnk h THR 181 Cb 1.19 1.44 -0.10 0.00 -1.74 0.00 0.00 68.15 68.94 2pnk h THR 181 CO -0.05 0.20 -0.20 1.17 0.37 0.00 0.00 175.52 177.01 2pnk n LYS 182 N -3.92 -0.10 0.10 6.66 4.81 0.18 -1.52 118.16 124.37 2pnk n LYS 182 Ca -0.02 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 2pnk n LYS 182 Cb 0.29 -1.37 -0.02 0.00 0.02 0.00 0.00 35.03 33.95 2pnk n LYS 182 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2pnk h HIS 183 N 0.00 0.00 -0.21 5.64 3.86 -1.73 -1.94 115.15 120.77 2pnk h HIS 183 Ca 0.24 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.36 2pnk h HIS 183 Cb 0.39 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 2pnk h HIS 183 CO -0.49 0.60 -0.22 0.00 0.86 0.00 0.00 177.93 178.68 2pnk h ARG 184 N 0.00 0.53 -0.91 2.45 3.08 -1.48 -2.12 114.38 115.93 2pnk h ARG 184 Ca -0.04 -0.28 0.05 0.00 0.07 0.00 0.00 59.98 59.78 2pnk h ARG 184 Cb 1.49 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.50 2pnk h ARG 184 CO 0.07 0.86 0.60 -0.07 -1.07 0.00 0.00 179.97 180.36 2pnk h LEU 185 N 0.21 0.96 -0.42 3.04 3.38 -1.07 -0.45 115.31 120.97 2pnk h LEU 185 Ca 0.03 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2pnk h LEU 185 Cb 0.77 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2pnk h LEU 185 CO 0.05 0.64 -0.02 0.03 0.09 0.00 0.00 178.44 179.23 2pnk h ARG 186 N 1.10 0.75 -0.14 1.13 3.08 -1.29 0.28 114.38 119.29 2pnk h ARG 186 Ca 0.37 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 2pnk h ARG 186 Cb 0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2pnk h ARG 186 CO -0.13 0.84 -0.10 0.22 -1.07 0.00 0.00 179.97 179.73 2pnk h ASP 187 N 0.58 0.20 0.11 7.04 3.58 -0.75 -1.88 116.42 125.31 2pnk h ASP 187 Ca 0.11 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2pnk h ASP 187 Cb 0.52 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2pnk h ASP 187 CO 0.03 0.33 0.00 0.79 -2.88 0.00 0.00 179.24 177.51 2pnk n TRP 188 N -4.31 0.00 0.00 0.28 8.01 -0.23 -4.89 117.44 116.30 2pnk n TRP 188 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 2pnk n TRP 188 Cb 0.24 -0.06 0.00 0.00 -2.01 0.00 0.00 31.31 29.48 2pnk n TRP 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2pnk n GLY 189 N 1.00 0.55 3.46 6.99 0.00 -0.70 -5.05 105.19 111.43 2pnk n GLY 189 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 2.90 -1.59 1.61 2.02 0.96 -4.93 117.35 116.32 2pnk s TYR 190 Ca 0.00 -0.42 -0.10 0.00 -0.37 0.00 0.00 57.07 56.17 2pnk s TYR 190 Cb 0.00 -3.88 -0.06 0.00 -0.40 0.00 0.00 41.96 37.62 2pnk s TYR 190 CO 0.00 -1.26 2.83 1.63 -1.57 0.00 0.00 175.55 177.17 2pnk n LYS 191 N 6.85 3.60 -2.44 -0.62 4.76 -1.26 -3.16 118.16 125.88 2pnk n LYS 191 Ca -0.04 -2.31 -0.37 0.00 -2.87 0.00 0.00 58.31 52.73 2pnk n LYS 191 Cb 0.46 -2.87 -0.03 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 2.23 3.51 0.34 -0.18 -7.23 -1.26 -4.60 120.40 113.20 2pnk s VAL 192 Ca 0.66 1.14 0.07 0.00 -1.81 0.00 0.00 61.98 62.04 2pnk s VAL 192 Cb 0.17 -3.58 -0.01 0.00 0.56 0.00 0.00 36.38 33.52 2pnk s VAL 192 CO -0.07 -0.00 0.48 0.20 -0.31 0.00 0.00 175.10 175.40 2pnk s ASN 193 N -1.50 5.95 0.23 4.85 0.01 -1.26 -4.96 114.94 118.26 2pnk s ASN 193 Ca 0.60 -0.19 -0.07 0.00 -0.71 0.00 0.00 52.86 52.49 2pnk s ASN 193 Cb -0.24 -1.20 0.21 0.00 0.41 0.00 0.00 41.25 40.43 2pnk s ASN 193 CO 0.30 -0.46 1.83 0.44 -1.51 0.00 0.00 177.10 177.70 2pnk h ASP 194 N 0.87 1.09 -3.80 -1.22 3.32 -2.03 -3.42 116.42 111.23 2pnk h ASP 194 Ca -0.45 -0.13 -0.48 0.00 0.02 0.00 0.00 57.03 55.99 2pnk h ASP 194 Cb 1.26 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 2pnk h ASP 194 CO 0.52 0.92 0.33 -1.61 -1.72 0.00 0.00 179.24 177.68 2pnk s GLU 195 N -5.69 4.66 -1.30 3.56 8.01 -1.26 -4.98 118.70 121.70 2pnk s GLU 195 Ca -0.12 1.35 -0.18 0.00 0.01 0.00 0.00 54.97 56.03 2pnk s GLU 195 Cb 0.16 -2.99 0.06 0.00 -4.31 0.00 0.00 34.13 27.05 2pnk s GLU 195 CO 0.83 0.38 1.77 1.87 0.01 0.00 0.00 175.26 180.13 2pnk n TRP 196 N 0.94 4.54 -3.68 1.61 -0.00 -1.26 -4.69 117.44 114.91 2pnk n TRP 196 Ca -0.00 -2.80 -0.08 0.00 -0.00 0.00 0.00 57.50 54.62 2pnk n TRP 196 Cb 0.49 -2.63 -0.00 0.00 -0.00 0.00 0.00 31.31 29.16 2pnk n TRP 196 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 2pnk n ASN 197 N 8.46 1.59 -0.20 5.87 6.94 -1.26 -4.95 115.26 131.70 2pnk n ASN 197 Ca 0.49 -1.54 0.04 0.00 -0.02 0.00 0.00 54.58 53.54 2pnk n ASN 197 Cb 0.46 0.00 0.30 0.00 -2.36 0.00 0.00 39.78 38.18 2pnk n ASN 197 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2pnk h GLU 198 N 0.00 0.86 -0.12 -3.83 -0.00 -1.99 -1.51 114.58 107.99 2pnk h GLU 198 Ca -0.10 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.36 59.21 2pnk h GLU 198 Cb 0.36 -0.19 -0.01 0.00 -0.00 0.00 0.00 28.75 28.91 2pnk h GLU 198 CO 0.16 0.57 0.07 0.78 -0.00 0.00 0.00 179.01 180.59 2pnk h GLY 199 N 0.89 0.18 1.01 1.06 0.00 -1.94 0.05 103.07 104.31 2pnk h GLY 199 Ca 0.30 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 2pnk h GLY 199 CO -0.09 0.08 0.17 1.76 0.00 0.00 0.00 176.54 178.46 2pnk h SER 200 N 0.10 0.88 -0.25 0.19 0.02 -1.73 -0.89 113.55 111.87 2pnk h SER 200 Ca 0.04 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 60.79 2pnk h SER 200 Cb 0.07 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2pnk h SER 200 CO -0.01 0.86 0.12 0.40 -1.14 0.00 0.00 176.83 177.06 2pnk h ILE 201 N 0.85 0.98 -0.19 3.27 2.04 -1.12 -1.08 117.51 122.27 2pnk h ILE 201 Ca 0.19 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.86 2pnk h ILE 201 Cb 0.31 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2pnk h ILE 201 CO -0.00 0.05 -0.35 1.56 0.00 0.00 0.00 178.15 179.40 2pnk h GLN 202 N 0.25 0.39 0.01 2.37 1.08 -0.77 -1.84 115.11 116.61 2pnk h GLN 202 Ca 0.10 -0.17 -0.20 0.00 -1.45 0.00 0.00 58.65 56.93 2pnk h GLN 202 Cb 0.04 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2pnk h GLN 202 CO -0.08 0.70 -0.91 0.93 -0.95 0.00 0.00 178.83 178.52 2pnk h GLU 203 N 0.34 0.18 -0.25 1.46 4.39 -0.97 -1.00 114.58 118.73 2pnk h GLU 203 Ca 0.04 -0.21 -0.16 0.00 0.34 0.00 0.00 59.36 59.37 2pnk h GLU 203 Cb 0.78 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2pnk h GLU 203 CO 0.06 0.97 -0.51 0.28 -1.16 0.00 0.00 179.01 178.65 2pnk h VAL 204 N 0.09 1.30 -0.85 3.13 2.07 -1.16 -2.31 116.25 118.52 2pnk h VAL 204 Ca -0.05 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 2pnk h VAL 204 Cb 1.56 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 2pnk h VAL 204 CO 0.14 0.55 0.51 0.11 0.02 0.00 0.00 177.57 178.89 2pnk h LYS 205 N 0.55 1.15 -0.67 1.57 1.57 -1.25 -1.85 116.57 117.64 2pnk h LYS 205 Ca 0.02 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 2pnk h LYS 205 Cb 1.07 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 2pnk h LYS 205 CO 0.10 0.81 0.12 -0.09 -0.57 0.00 0.00 179.45 179.82 2pnk h ARG 206 N 1.17 1.09 -0.32 3.15 2.43 -1.05 0.60 114.38 121.46 2pnk h ARG 206 Ca 0.30 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2pnk h ARG 206 Cb -0.04 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 2pnk h ARG 206 CO -0.06 1.00 0.18 0.35 -1.51 0.00 0.00 179.97 179.93 2pnk h PHE 207 N 1.02 0.33 0.04 2.20 3.57 -1.12 0.30 116.94 123.28 2pnk h PHE 207 Ca 0.20 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2pnk h PHE 207 Cb 0.43 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2pnk h PHE 207 CO 0.03 0.19 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.21 2pnk h LEU 208 N 0.36 -0.04 -1.19 0.59 3.38 -1.08 -2.45 115.31 114.88 2pnk h LEU 208 Ca 0.13 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2pnk h LEU 208 Cb 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2pnk h LEU 208 CO -0.07 0.05 -0.19 0.74 0.09 0.00 0.00 178.44 179.06 2pnk h THR 209 N -0.13 1.23 -0.22 0.22 2.02 -0.46 -0.24 112.91 115.32 2pnk h THR 209 Ca -0.01 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.10 2pnk h THR 209 Cb 0.12 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2pnk h THR 209 CO 0.01 0.32 -0.02 0.44 0.37 0.00 0.00 175.52 176.64 2pnk h ASP 210 N 0.31 0.41 0.25 4.18 3.32 -0.33 -1.12 116.42 123.43 2pnk h ASP 210 Ca 0.06 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.66 2pnk h ASP 210 Cb 0.51 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2pnk h ASP 210 CO 0.03 0.64 -0.44 -0.50 -1.72 0.00 0.00 179.24 177.26 2pnk h TRP 211 N 0.16 0.29 -0.28 4.55 4.06 -0.97 -1.21 115.95 122.55 2pnk h TRP 211 Ca 0.06 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 2pnk h TRP 211 Cb 0.45 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 2pnk h TRP 211 CO 0.04 0.65 0.11 0.82 -3.56 0.00 0.00 178.44 176.50 2pnk h ILE 212 N 0.20 1.18 -0.91 1.49 2.04 -0.99 -2.77 117.51 117.75 2pnk h ILE 212 Ca 0.02 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.34 2pnk h ILE 212 Cb 0.86 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 2pnk h ILE 212 CO 0.07 0.19 0.60 -0.08 0.00 0.00 0.00 178.15 178.92 2pnk h GLU 213 N 0.31 1.17 0.00 2.37 4.81 -0.86 0.07 114.58 122.44 2pnk h GLU 213 Ca 0.09 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2pnk h GLU 213 Cb 0.19 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2pnk h GLU 213 CO -0.01 0.77 0.00 -2.13 -0.73 0.00 0.00 179.01 176.92 2pnk n ARG 214 N -4.47 0.79 0.00 1.92 3.00 -0.49 -5.03 116.66 112.38 2pnk n ARG 214 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 2pnk n ARG 214 Cb 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 32.46 31.46 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 -0.53 0.00 -4.79 6.15 2.03 0.01 -5.10 116.55 114.33 2pnk n ASP 216 Ca 0.01 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.98 2pnk n ASP 216 Cb 0.01 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 3.43 0.23 -0.67 0.04 -1.26 -4.59 135.00 132.19 2pnk s PRO 217 Ca 0.00 1.44 0.13 0.00 0.04 0.00 0.00 61.00 62.60 2pnk s PRO 217 Cb 0.00 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2pnk s PRO 217 CO 0.00 -0.75 1.41 -0.39 0.04 0.00 0.00 177.00 177.31 2pnk h VAL 218 N 1.06 1.14 0.00 -0.36 -1.51 -1.33 -3.48 116.25 111.77 2pnk h VAL 218 Ca -0.49 -2.56 0.00 0.00 -1.23 0.00 0.00 66.70 62.42 2pnk h VAL 218 Cb 1.24 2.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.93 2pnk h VAL 218 CO 0.57 0.64 0.00 0.00 -1.23 0.00 0.00 177.57 177.55 2pnk n TYR 219 N -3.29 0.00 -3.64 5.19 0.18 -1.26 -4.30 117.16 110.04 2pnk n TYR 219 Ca 0.01 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.77 2pnk n TYR 219 Cb 0.79 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.72 2pnk n TYR 219 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2pnk s ALA 221 N -1.03 -2.15 -0.15 -3.48 0.00 0.50 -1.73 121.76 113.72 2pnk s ALA 221 Ca 0.00 1.87 -0.13 0.00 0.00 0.00 0.00 51.96 53.70 2pnk s ALA 221 Cb 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 22.25 2pnk s ALA 221 CO 0.00 -0.40 0.40 0.54 0.00 0.00 0.00 175.76 176.30 2pnk s VAL 222 N -1.58 -0.01 -0.06 0.00 0.11 -0.33 -1.16 120.40 117.38 2pnk s VAL 222 Ca 0.10 0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 59.02 2pnk s VAL 222 Cb -0.01 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.22 2pnk s VAL 222 CO -0.05 0.01 0.40 -0.44 -3.33 0.00 0.00 175.10 171.68 2pnk s SER 223 N 0.45 6.70 0.03 3.54 0.01 -1.26 -4.72 113.70 118.45 2pnk s SER 223 Ca -0.02 0.83 0.04 0.00 1.31 0.00 0.00 55.95 58.11 2pnk s SER 223 Cb -0.04 -2.24 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 2pnk s SER 223 CO -0.02 0.21 -0.12 -0.76 0.41 0.00 0.00 173.24 172.95 2pnk s LEU 224 N -0.37 2.16 0.91 2.44 1.43 -1.26 -4.92 118.68 119.08 2pnk s LEU 224 Ca 0.23 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 2pnk s LEU 224 Cb -0.15 -0.49 0.14 0.00 0.03 0.00 0.00 46.19 45.71 2pnk s LEU 224 CO 0.11 -0.00 1.15 -2.16 0.23 0.00 0.00 176.35 175.68 2pnk s PRO 225 N -1.08 1.14 0.55 1.29 0.04 -1.25 -0.29 135.00 135.40 2pnk s PRO 225 Ca -0.00 0.22 0.25 0.00 0.04 0.00 0.00 61.00 61.50 2pnk s PRO 225 Cb -0.07 -1.85 1.58 0.00 0.04 0.00 0.00 34.50 34.20 2pnk s PRO 225 CO 0.01 -2.18 2.19 -1.35 0.04 0.00 0.00 177.00 175.71 2pnk h PRO 226 N -1.49 0.00 -0.07 0.56 0.11 -1.77 -1.88 132.00 127.47 2pnk h PRO 226 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pnk h PRO 226 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2pnk h PRO 226 CO 0.60 0.03 0.00 0.25 -0.21 0.00 0.00 178.00 178.67 2pnk n THR 227 N -4.04 0.09 -1.66 -1.15 -2.24 -1.26 -3.87 114.28 100.14 2pnk n THR 227 Ca -0.03 -0.10 -0.46 0.00 -2.27 0.00 0.00 64.05 61.19 2pnk n THR 227 Cb 0.11 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 2pnk n THR 227 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2pnk n PHE 228 N -0.35 2.22 -4.04 4.78 7.35 -0.71 -5.00 117.46 121.72 2pnk n PHE 228 Ca 0.06 0.29 -0.13 0.00 -0.76 0.00 0.00 57.45 56.92 2pnk n PHE 228 Cb 0.09 -2.53 -0.12 0.00 0.35 0.00 0.00 39.48 37.26 2pnk n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2pnk s SER 229 N 0.90 0.56 -0.21 -2.13 0.01 -1.26 -4.69 113.70 106.88 2pnk s SER 229 Ca 0.79 -0.37 -0.15 0.00 1.31 0.00 0.00 55.95 57.53 2pnk s SER 229 Cb -0.70 0.02 0.06 0.00 0.21 0.00 0.00 66.02 65.61 2pnk s SER 229 CO 0.39 -0.14 0.52 0.12 0.41 0.00 0.00 173.24 174.54 2pnk s PHE 230 N -0.95 -0.70 0.86 2.43 2.19 -1.26 -4.40 117.98 116.15 2pnk s PHE 230 Ca -0.07 1.53 -0.10 0.00 0.33 0.00 0.00 56.93 58.61 2pnk s PHE 230 Cb -0.07 0.32 0.11 0.00 -1.31 0.00 0.00 43.02 42.07 2pnk s PHE 230 CO -0.00 -0.36 1.12 -2.14 1.83 0.00 0.00 175.22 175.67 2pnk s PRO 231 N 0.96 1.51 -0.24 10.12 0.02 -1.26 -4.22 135.00 141.89 2pnk s PRO 231 Ca -0.05 1.33 -0.16 0.00 0.02 0.00 0.00 61.00 62.14 2pnk s PRO 231 Cb -0.06 -1.80 0.07 0.00 0.02 0.00 0.00 34.50 32.73 2pnk s PRO 231 CO -0.08 -2.22 0.60 -2.00 -0.33 0.00 0.00 177.00 172.97 2pnk s GLU 232 N -4.77 0.63 -1.34 5.54 2.12 -1.26 -5.06 118.70 114.56 2pnk s GLU 232 Ca 0.64 1.03 -0.16 0.00 0.36 0.00 0.00 54.97 56.84 2pnk s GLU 232 Cb -0.20 0.15 0.08 0.00 0.26 0.00 0.00 34.13 34.42 2pnk s GLU 232 CO 0.57 -0.14 1.87 0.39 -0.54 0.00 0.00 175.26 177.42 2pnk n GLU 233 N 3.92 3.14 -4.14 4.30 -0.58 -1.26 -3.86 120.64 122.16 2pnk n GLU 233 Ca -0.19 -3.15 -0.09 0.00 -0.42 0.00 0.00 57.16 53.30 2pnk n GLU 233 Cb 0.57 -3.33 -0.10 0.00 -0.57 0.00 0.00 31.44 28.01 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 3.46 0.40 0.26 1.62 1.04 -1.26 -5.00 113.70 114.22 2pnk s SER 234 Ca 0.49 -1.16 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 2pnk s SER 234 Cb 0.07 0.26 0.54 0.00 0.10 0.00 0.00 66.02 66.99 2pnk s SER 234 CO 0.01 -0.69 1.73 0.78 0.98 0.00 0.00 173.24 176.05 2pnk h ASN 235 N 2.93 0.35 -0.24 7.02 2.35 -1.92 -1.33 115.58 124.74 2pnk h ASN 235 Ca -0.35 0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 2pnk h ASN 235 Cb 1.18 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 2pnk h ASN 235 CO 0.61 0.11 0.08 -0.09 -1.65 0.00 0.00 177.43 176.49 2pnk h ARG 236 N 0.48 0.37 -0.58 0.81 2.43 -1.91 -1.45 114.38 114.52 2pnk h ARG 236 Ca 0.46 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.56 2pnk h ARG 236 Cb 0.74 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 2pnk h ARG 236 CO -0.43 0.44 0.38 0.78 -1.51 0.00 0.00 179.97 179.64 2pnk h GLY 237 N 0.23 0.82 1.27 2.80 0.00 -1.60 -2.01 103.07 104.57 2pnk h GLY 237 Ca 0.08 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 2pnk h GLY 237 CO -0.00 0.30 -0.36 3.21 0.00 0.00 0.00 176.54 179.68 2pnk h ARG 238 N 0.79 0.81 -0.12 4.80 3.08 -1.14 -1.88 114.38 120.72 2pnk h ARG 238 Ca 0.21 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 2pnk h ARG 238 Cb -0.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 2pnk h ARG 238 CO -0.05 1.04 0.01 0.82 -1.07 0.00 0.00 179.97 180.72 2pnk h ILE 239 N 0.67 1.24 -0.16 2.04 2.04 -1.14 0.09 117.51 122.29 2pnk h ILE 239 Ca 0.06 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.18 2pnk h ILE 239 Cb 0.92 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 2pnk h ILE 239 CO 0.08 0.23 -0.09 0.40 0.00 0.00 0.00 178.15 178.77 2pnk h ILE 240 N -0.04 0.73 0.19 -0.67 2.04 -1.36 0.09 117.51 118.50 2pnk h ILE 240 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2pnk h ILE 240 Cb 0.34 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2pnk h ILE 240 CO 0.01 0.00 -0.09 -0.09 0.00 0.00 0.00 178.15 177.97 2pnk h ARG 241 N -0.08 -0.25 0.00 2.37 2.43 -1.25 -1.54 114.38 116.07 2pnk h ARG 241 Ca 0.09 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2pnk h ARG 241 Cb 0.21 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2pnk h ARG 241 CO -0.21 -0.07 -1.45 -0.25 -1.51 0.00 0.00 179.97 176.48 2pnk n ASP 242 N -5.14 0.49 0.04 -3.80 8.00 0.01 -4.50 116.55 111.65 2pnk n ASP 242 Ca -0.09 0.19 -0.00 0.00 0.71 0.00 0.00 54.79 55.60 2pnk n ASP 242 Cb 0.17 1.06 -0.00 0.00 -0.02 0.00 0.00 41.12 42.33 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 -0.02 0.22 -0.45 0.00 6.46 -1.26 -2.52 115.31 117.75 2pnk h LEU 244 Ca -0.00 -0.55 -0.08 0.00 -0.12 0.00 0.00 57.88 57.14 2pnk h LEU 244 Cb 0.08 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 2pnk h LEU 244 CO -0.00 0.73 -0.02 -0.07 -0.62 0.00 0.00 178.44 178.45 2pnk h LEU 245 N -0.27 0.80 -0.68 2.25 3.38 -1.51 0.11 115.31 119.38 2pnk h LEU 245 Ca 0.00 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2pnk h LEU 245 Cb 0.68 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2pnk h LEU 245 CO 0.03 0.93 0.37 -0.65 0.09 0.00 0.00 178.44 179.20 2pnk h PRO 246 N 0.65 0.95 -0.34 1.13 0.11 -1.79 -1.29 132.00 131.42 2pnk h PRO 246 Ca 0.12 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 2pnk h PRO 246 Cb 0.53 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 2pnk h PRO 246 CO 0.03 0.72 -0.04 0.28 -0.21 0.00 0.00 178.00 178.78 2pnk h VAL 247 N 0.93 1.27 -0.98 3.15 2.07 -1.35 -1.04 116.25 120.30 2pnk h VAL 247 Ca 0.24 -1.05 0.03 0.00 0.82 0.00 0.00 66.70 66.73 2pnk h VAL 247 Cb 0.05 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 2pnk h VAL 247 CO -0.04 0.34 0.64 0.00 0.02 0.00 0.00 177.57 178.54 2pnk h ALA 248 N 0.83 1.34 -0.21 1.67 0.00 -0.74 -1.96 119.26 120.19 2pnk h ALA 248 Ca 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2pnk h ALA 248 Cb 0.52 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2pnk h ALA 248 CO 0.03 0.58 -0.08 1.49 0.00 0.00 0.00 179.25 181.26 2pnk h GLU 249 N 1.27 0.43 -0.49 0.00 4.81 -1.12 0.10 114.58 119.58 2pnk h GLU 249 Ca 0.38 -0.18 0.07 0.00 -0.13 0.00 0.00 59.36 59.49 2pnk h GLU 249 Cb -0.06 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 2pnk h GLU 249 CO -0.10 0.70 0.18 -0.22 -0.73 0.00 0.00 179.01 178.83 2pnk h LYS 250 N 0.14 0.35 -0.01 1.92 3.64 -0.94 -2.52 116.57 119.14 2pnk h LYS 250 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2pnk h LYS 250 Cb 0.56 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2pnk h LYS 250 CO 0.03 0.23 -0.07 0.72 -2.27 0.00 0.00 179.45 178.08 2pnk n HIS 251 N -5.00 0.00 -3.74 1.91 8.25 -0.76 -4.95 115.22 110.94 2pnk n HIS 251 Ca 0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.28 2pnk n HIS 251 Cb 0.19 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 31.31 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 0.00 -2.22 -4.51 0.41 5.15 0.02 -4.99 115.26 109.13 2pnk n ASN 252 Ca 0.17 -0.79 -0.34 0.00 -0.60 0.00 0.00 54.58 53.01 2pnk n ASN 252 Cb 0.36 -4.09 -0.12 0.00 -0.53 0.00 0.00 39.78 35.40 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 -3.56 4.15 0.71 -1.44 1.01 0.15 -4.86 121.20 117.35 2pnk s ILE 253 Ca 0.18 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 2pnk s ILE 253 Cb -0.09 -2.86 0.03 0.00 0.01 0.00 0.00 42.46 39.55 2pnk s ILE 253 CO 0.81 0.45 1.15 -2.84 0.00 0.00 0.00 174.94 174.52 2pnk s PRO 254 N 0.65 2.40 -0.27 2.79 0.02 -1.26 -4.60 135.00 134.73 2pnk s PRO 254 Ca -0.00 1.55 -0.07 0.00 0.02 0.00 0.00 61.00 62.49 2pnk s PRO 254 Cb -0.14 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.48 2pnk s PRO 254 CO 0.02 -1.59 0.08 0.12 -0.33 0.00 0.00 177.00 175.30 2pnk s PHE 255 N -2.22 3.11 0.41 6.54 5.36 -0.39 -4.57 117.98 126.21 2pnk s PHE 255 Ca 0.70 -0.64 0.03 0.00 -0.96 0.00 0.00 56.93 56.06 2pnk s PHE 255 Cb -0.24 -2.25 -0.00 0.00 -0.34 0.00 0.00 43.02 40.18 2pnk s PHE 255 CO 0.44 -0.45 0.60 0.00 -1.46 0.00 0.00 175.22 174.35 2pnk s ALA 256 N 1.57 3.95 -0.30 11.12 0.00 -1.26 -1.22 121.76 135.63 2pnk s ALA 256 Ca 0.05 -1.23 -0.22 0.00 0.00 0.00 0.00 51.96 50.56 2pnk s ALA 256 Cb -0.16 -1.95 0.20 0.00 0.00 0.00 0.00 23.12 21.21 2pnk s ALA 256 CO 0.03 -0.26 1.39 0.42 0.00 0.00 0.00 175.76 177.34 2pnk s ILE 259 N -2.41 0.00 0.00 0.00 1.01 -0.70 -1.19 121.20 117.90 2pnk s ILE 259 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.12 2pnk s ILE 259 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2pnk s ILE 259 CO 0.35 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2pnk n GLY 260 N 2.08 1.01 3.69 6.18 0.00 0.60 -1.26 105.19 117.50 2pnk n GLY 260 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2pnk n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnk s VAL 261 N -1.88 4.86 -0.43 1.61 0.11 -1.08 -1.45 120.40 122.14 2pnk s VAL 261 Ca 0.00 1.83 -0.15 0.00 -2.93 0.00 0.00 61.98 60.73 2pnk s VAL 261 Cb 0.00 -4.22 0.03 0.00 -1.53 0.00 0.00 36.38 30.66 2pnk s VAL 261 CO 0.00 0.06 0.33 -0.75 -3.33 0.00 0.00 175.10 171.41 2pnk s LYS 262 N 1.78 2.97 0.15 1.54 2.20 0.24 -3.93 119.74 124.70 2pnk s LYS 262 Ca 0.44 -1.11 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 2pnk s LYS 262 Cb -0.18 -4.02 -0.07 0.00 -1.51 0.00 0.00 37.83 32.05 2pnk s LYS 262 CO 0.17 -0.83 1.20 0.15 -0.36 0.00 0.00 175.35 175.69 2pnk s LYS 263 N 1.67 4.47 -1.24 4.03 -0.14 -1.26 -0.54 119.74 126.73 2pnk s LYS 263 Ca 0.05 1.85 -0.01 0.00 -1.36 0.00 0.00 55.97 56.50 2pnk s LYS 263 Cb -0.20 -3.27 -0.01 0.00 -1.68 0.00 0.00 37.83 32.67 2pnk s LYS 263 CO 0.09 -0.14 0.84 0.54 -0.76 0.00 0.00 175.35 175.92 2pnk n ARG 264 N 2.95 -5.31 0.17 1.68 5.12 -1.23 -4.90 116.66 115.14 2pnk n ARG 264 Ca 0.06 0.73 0.02 0.00 -1.93 0.00 0.00 57.85 56.73 2pnk n ARG 264 Cb 0.45 -5.47 0.28 0.00 -1.16 0.00 0.00 32.46 26.56 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 -1.83 1.19 -3.01 1.55 -1.51 -1.40 -3.32 116.25 107.92 2pnk h VAL 265 Ca -0.60 -1.71 -0.62 0.00 -1.23 0.00 0.00 66.70 62.54 2pnk h VAL 265 Cb 1.35 1.96 -0.41 0.00 -2.13 0.00 0.00 31.29 32.06 2pnk h VAL 265 CO 0.53 0.46 -0.66 -2.28 -1.23 0.00 0.00 177.57 174.39 2pnk s HIS 266 N -3.74 2.94 0.31 5.19 5.65 -0.77 -5.01 115.29 119.86 2pnk s HIS 266 Ca -0.01 -3.05 0.06 0.00 0.25 0.00 0.00 55.06 52.31 2pnk s HIS 266 Cb 0.12 -2.35 0.75 0.00 -1.18 0.00 0.00 32.58 29.92 2pnk s HIS 266 CO 0.72 -0.65 1.80 -1.35 -0.65 0.00 0.00 174.74 174.61 2pnk h PRO 267 N 5.77 0.75 0.00 2.88 0.11 -1.83 -2.11 132.00 137.57 2pnk h PRO 267 Ca 0.11 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 2pnk h PRO 267 Cb 0.82 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 2pnk h PRO 267 CO 0.63 0.49 -0.03 0.00 -0.21 0.00 0.00 178.00 178.89 2pnk h ALA 268 N 1.62 1.46 0.00 -0.75 0.00 -1.95 -1.33 119.26 118.32 2pnk h ALA 268 Ca 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2pnk h ALA 268 Cb 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2pnk h ALA 268 CO -0.34 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.23 2pnk n LEU 269 N -3.79 0.00 0.00 0.00 4.77 -0.79 -4.97 117.00 112.21 2pnk n LEU 269 Ca -0.03 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2pnk n LEU 269 Cb 0.12 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2pnk n LEU 269 CO 0.28 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2pnk n GLY 270 N 0.79 3.26 0.35 -0.72 0.00 -0.50 -1.80 105.19 106.56 2pnk n GLY 270 Ca 0.19 -0.16 0.18 0.00 0.00 0.00 0.00 46.02 46.24 2pnk n GLY 270 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pnk h ASP 271 N 2.34 0.00 -0.03 1.61 3.32 -1.94 0.20 116.42 121.91 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 -2.19 2.59 0.69 3.45 0.00 -0.74 -4.21 120.51 120.09 2pnk n ALA 272 Ca 0.01 -0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.39 2pnk n ALA 272 Cb 0.38 -1.25 0.22 0.00 0.00 0.00 0.00 19.45 18.80 2pnk n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnk n GLY 273 N 0.83 1.25 3.89 0.00 0.00 0.69 -4.86 105.19 107.00 2pnk n GLY 273 Ca 0.13 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 2pnk n GLY 273 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pnk s ASP 274 N -1.67 6.52 0.14 1.61 1.01 -1.26 -1.35 116.67 121.67 2pnk s ASP 274 Ca 0.35 0.79 0.01 0.00 0.71 0.00 0.00 52.55 54.41 2pnk s ASP 274 Cb 0.21 -2.18 -0.00 0.00 1.01 0.00 0.00 42.92 41.97 2pnk s ASP 274 CO 0.31 -0.13 0.03 0.33 0.21 0.00 0.00 175.17 175.91 2pnk n PHE 275 N -0.55 0.19 -4.08 4.23 7.35 0.30 -4.92 117.46 119.98 2pnk n PHE 275 Ca -0.01 -0.81 -0.14 0.00 -0.76 0.00 0.00 57.45 55.73 2pnk n PHE 275 Cb 0.53 -0.05 -0.11 0.00 0.35 0.00 0.00 39.48 40.20 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 -1.83 0.62 0.09 -2.13 0.11 -1.26 -0.59 120.40 115.41 2pnk s VAL 276 Ca 0.04 -1.13 -0.11 0.00 -2.93 0.00 0.00 61.98 57.85 2pnk s VAL 276 Cb 0.00 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 2pnk s VAL 276 CO 0.03 -0.37 0.25 -0.83 -3.33 0.00 0.00 175.10 170.85 2pnk s GLY 277 N -1.63 -0.02 0.27 6.54 0.00 -0.53 -4.82 107.32 107.12 2pnk s GLY 277 Ca -0.09 -0.38 -0.30 0.00 0.00 0.00 0.00 44.72 43.96 2pnk s GLY 277 CO 0.01 -0.58 1.08 1.25 0.00 0.00 0.00 173.10 174.85 2pnk s LYS 278 N -3.56 4.67 0.17 2.90 2.20 -1.26 -4.45 119.74 120.41 2pnk s LYS 278 Ca 0.02 1.76 0.05 0.00 -0.36 0.00 0.00 55.97 57.44 2pnk s LYS 278 Cb 0.03 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 2pnk s LYS 278 CO -0.10 0.25 0.12 0.00 -0.36 0.00 0.00 175.35 175.27 2pnk s ALA 279 N -1.12 3.53 1.00 3.13 0.00 -1.26 -4.77 121.76 122.27 2pnk s ALA 279 Ca 0.44 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2pnk s ALA 279 Cb -0.31 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.50 2pnk s ALA 279 CO 0.39 0.48 0.00 0.45 0.00 0.00 0.00 175.76 177.08 2pnk n SER 280 N -0.39 0.00 0.00 0.00 2.88 -1.25 -4.97 113.62 109.89 2pnk n SER 280 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2pnk n SER 280 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2pnk n SER 280 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2pnk n ASP 282 N 0.00 0.00 -0.16 -3.46 8.00 -1.26 -4.74 116.55 114.92 2pnk n ASP 282 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2pnk n ASP 282 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.89 0.89 0.44 0.00 -1.85 -0.19 103.07 103.25 2pnk h GLY 283 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 2pnk h GLY 283 CO 0.00 0.60 0.09 -2.08 0.00 0.00 0.00 176.54 175.15 2pnk h VAL 284 N 0.68 1.19 -0.56 4.60 2.07 -1.87 -1.44 116.25 120.92 2pnk h VAL 284 Ca 0.13 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.12 2pnk h VAL 284 Cb 0.49 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 2pnk h VAL 284 CO 0.02 0.19 0.29 -0.08 0.02 0.00 0.00 177.57 178.02 2pnk h GLU 285 N 0.25 0.55 -0.08 1.57 4.81 -1.92 -1.64 114.58 118.12 2pnk h GLU 285 Ca 0.08 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2pnk h GLU 285 Cb 0.22 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 2pnk h GLU 285 CO -0.00 0.36 0.04 1.25 -0.73 0.00 0.00 179.01 179.93 2pnk h HIS 286 N 0.56 0.11 -0.34 0.92 2.76 -0.84 -1.83 115.15 116.49 2pnk h HIS 286 Ca 0.25 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.46 2pnk h HIS 286 Cb 0.14 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.02 2pnk h HIS 286 CO -0.09 0.16 0.07 -0.07 -1.30 0.00 0.00 177.93 176.69 2pnk h LEU 287 N 0.04 0.01 -0.37 0.26 3.38 -1.05 0.60 115.31 118.18 2pnk h LEU 287 Ca 0.03 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2pnk h LEU 287 Cb 0.08 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2pnk h LEU 287 CO -0.00 0.04 0.20 -0.07 0.09 0.00 0.00 178.44 178.70 2pnk h LEU 288 N 0.18 0.47 -0.08 1.67 3.38 -1.19 -1.79 115.31 117.96 2pnk h LEU 288 Ca 0.16 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2pnk h LEU 288 Cb 0.18 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2pnk h LEU 288 CO -0.21 0.43 -0.13 -0.09 0.09 0.00 0.00 178.44 178.53 2pnk h ARG 289 N 0.47 0.24 -0.00 1.13 2.43 -1.14 -3.30 114.38 114.20 2pnk h ARG 289 Ca 0.13 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2pnk h ARG 289 Cb 0.07 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2pnk h ARG 289 CO -0.02 0.71 -0.12 0.39 -1.51 0.00 0.00 179.97 179.42 2pnk n GLU 290 N -4.62 0.46 -3.15 0.20 -0.58 0.19 -4.05 120.64 109.08 2pnk n GLU 290 Ca -0.07 -0.13 -0.23 0.00 -0.42 0.00 0.00 57.16 56.30 2pnk n GLU 290 Cb 0.36 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.69 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 -1.16 1.63 0.30 -0.32 4.02 -0.68 -4.95 117.16 116.01 2pnk n TYR 291 Ca 0.12 -3.87 0.13 0.00 -0.01 0.00 0.00 57.90 54.27 2pnk n TYR 291 Cb 0.29 -0.44 0.59 0.00 -0.02 0.00 0.00 39.34 39.75 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 3.35 0.00 -0.71 -0.72 0.13 -1.70 -1.96 132.00 130.39 2pnk h PRO 292 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2pnk h PRO 292 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2pnk h PRO 292 CO 0.63 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.49 2pnk n ASN 293 N -2.38 4.15 -4.65 1.44 3.02 -1.26 -4.89 115.26 110.69 2pnk n ASN 293 Ca 0.00 -2.14 -0.31 0.00 -0.03 0.00 0.00 54.58 52.11 2pnk n ASN 293 Cb 0.16 -0.52 -0.09 0.00 -0.61 0.00 0.00 39.78 38.73 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 -0.96 4.86 -0.10 6.41 -0.87 -0.74 -4.75 114.94 118.79 2pnk s ASN 294 Ca 0.49 -0.18 -0.02 0.00 -1.57 0.00 0.00 52.86 51.57 2pnk s ASN 294 Cb 0.28 -1.13 -0.03 0.00 -0.02 0.00 0.00 41.25 40.34 2pnk s ASN 294 CO 0.30 0.21 -0.00 -0.54 -2.57 0.00 0.00 177.10 174.50 2pnk s LYS 295 N -2.04 3.13 -0.07 -0.60 1.02 -1.26 -4.85 119.74 115.07 2pnk s LYS 295 Ca 0.23 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 55.82 2pnk s LYS 295 Cb -0.11 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.38 2pnk s LYS 295 CO 0.15 0.61 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.97 2pnk s PHE 296 N -0.63 1.77 -0.19 3.18 0.40 0.15 -1.26 117.98 121.41 2pnk s PHE 296 Ca 0.10 -0.67 -0.07 0.00 -0.60 0.00 0.00 56.93 55.69 2pnk s PHE 296 Cb -0.12 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.13 2pnk s PHE 296 CO 0.02 -0.31 0.05 -0.51 0.70 0.00 0.00 175.22 175.18 2pnk s LEU 297 N 0.54 3.71 -0.02 -0.37 1.43 -0.35 -4.24 118.68 119.37 2pnk s LEU 297 Ca -0.15 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 2pnk s LEU 297 Cb -0.16 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.13 2pnk s LEU 297 CO 0.05 0.14 -0.03 -0.69 0.23 0.00 0.00 176.35 176.06 2pnk s VAL 298 N 0.54 0.31 0.28 -1.59 1.01 -1.26 -4.15 120.40 115.55 2pnk s VAL 298 Ca 0.03 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 61.96 2pnk s VAL 298 Cb -0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 2pnk s VAL 298 CO 0.01 0.13 0.20 1.07 0.00 0.00 0.00 175.10 176.51 2pnk n THR 299 N 3.45 0.00 0.00 3.92 5.66 -1.26 -1.93 114.28 124.12 2pnk n THR 299 Ca -0.19 -1.96 0.00 0.00 -3.05 0.00 0.00 64.05 58.86 2pnk n THR 299 Cb 0.55 0.91 0.00 0.00 -1.55 0.00 0.00 70.33 70.24 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 -4.73 1.09 7.94 -0.39 -1.73 117.00 119.19 2pnk n LEU 301 Ca 0.03 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.53 2pnk n LEU 301 Cb 0.49 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.40 2pnk n LEU 301 CO 0.25 0.00 0.61 -0.55 -1.11 0.00 0.00 177.39 176.59 2pnk s SER 302 N -1.12 7.38 0.41 1.96 0.15 -1.26 -4.76 113.70 116.46 2pnk s SER 302 Ca 0.00 1.66 0.13 0.00 0.70 0.00 0.00 55.95 58.44 2pnk s SER 302 Cb 0.00 -2.55 0.98 0.00 -1.71 0.00 0.00 66.02 62.74 2pnk s SER 302 CO 0.00 -0.09 1.92 -0.09 1.20 0.00 0.00 173.24 176.19 2pnk h ARG 303 N 5.89 0.48 0.00 5.44 2.43 -1.95 -2.49 114.38 124.17 2pnk h ARG 303 Ca -0.43 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2pnk h ARG 303 Cb 1.21 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2pnk h ARG 303 CO 0.72 0.31 0.00 0.39 -1.51 0.00 0.00 179.97 179.89 2pnk n GLU 304 N -4.49 0.29 0.01 0.20 4.71 -1.26 -2.35 120.64 117.74 2pnk n GLU 304 Ca 0.14 0.01 0.11 0.00 -0.01 0.00 0.00 57.16 57.41 2pnk n GLU 304 Cb 0.47 -1.50 0.13 0.00 -1.01 0.00 0.00 31.44 29.52 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 0.64 -0.09 1.62 5.03 -0.94 -4.69 115.26 115.47 2pnk n ASN 305 Ca 0.12 -0.39 -0.13 0.00 0.87 0.00 0.00 54.58 55.05 2pnk n ASN 305 Cb 0.27 0.50 -0.04 0.00 -1.02 0.00 0.00 39.78 39.49 2pnk n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2pnk h GLN 306 N 0.00 0.64 -0.29 3.52 1.08 -1.56 -1.47 115.11 117.03 2pnk h GLN 306 Ca 0.00 -0.31 -0.06 0.00 -1.45 0.00 0.00 58.65 56.83 2pnk h GLN 306 Cb 0.55 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 2pnk h GLN 306 CO 0.00 0.90 -0.07 1.25 -0.95 0.00 0.00 178.83 179.96 2pnk h HIS 307 N 0.37 0.63 -0.05 2.96 2.76 -1.83 -2.50 115.15 117.50 2pnk h HIS 307 Ca 0.06 -0.14 -0.05 0.00 -2.20 0.00 0.00 60.37 58.04 2pnk h HIS 307 Cb 0.74 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 2pnk h HIS 307 CO 0.07 0.76 -0.19 1.05 -1.30 0.00 0.00 177.93 178.31 2pnk h GLU 308 N 0.32 0.07 -0.61 5.26 4.11 -1.84 -0.94 114.58 120.95 2pnk h GLU 308 Ca 0.07 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.40 2pnk h GLU 308 Cb 0.55 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2pnk h GLU 308 CO 0.03 0.27 0.03 1.25 0.07 0.00 0.00 179.01 180.67 2pnk h LEU 309 N 0.07 1.02 -0.37 3.06 5.85 -1.09 -0.23 115.31 123.63 2pnk h LEU 309 Ca 0.01 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2pnk h LEU 309 Cb 0.39 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2pnk h LEU 309 CO 0.03 1.05 0.19 0.58 -0.34 0.00 0.00 178.44 179.95 2pnk h VAL 310 N 0.97 1.15 -0.88 1.05 2.07 -0.94 -1.88 116.25 117.79 2pnk h VAL 310 Ca 0.18 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2pnk h VAL 310 Cb 0.51 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2pnk h VAL 310 CO 0.02 0.16 0.52 0.58 0.02 0.00 0.00 177.57 178.87 2pnk h VAL 311 N 0.46 1.25 -0.84 2.57 2.07 -0.87 -2.28 116.25 118.61 2pnk h VAL 311 Ca 0.13 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.12 2pnk h VAL 311 Cb 0.07 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.82 2pnk h VAL 311 CO -0.02 0.26 0.56 0.25 0.02 0.00 0.00 177.57 178.64 2pnk h LEU 312 N 1.22 0.94 -1.15 2.57 5.85 -0.74 -1.37 115.31 122.62 2pnk h LEU 312 Ca 0.31 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 2pnk h LEU 312 Cb -0.03 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2pnk h LEU 312 CO -0.06 0.66 -0.19 0.00 -0.34 0.00 0.00 178.44 178.51 2pnk h ALA 313 N 1.49 1.29 -0.28 1.25 0.00 -0.80 -0.56 119.26 121.65 2pnk h ALA 313 Ca 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pnk h ALA 313 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2pnk h ALA 313 CO -0.08 0.47 0.18 0.00 0.00 0.00 0.00 179.25 179.81 2pnk h ARG 314 N 0.32 0.37 0.04 0.00 3.08 -0.79 -3.13 114.38 114.27 2pnk h ARG 314 Ca 0.06 -0.02 -0.23 0.00 0.07 0.00 0.00 59.98 59.85 2pnk h ARG 314 Cb 0.53 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2pnk h ARG 314 CO 0.04 0.25 -1.01 0.87 -1.07 0.00 0.00 179.97 179.04 2pnk h LYS 315 N 0.38 0.33 -3.90 0.04 1.79 -0.78 -3.45 116.57 110.98 2pnk h LYS 315 Ca 0.10 -0.41 -0.55 0.00 -2.18 0.00 0.00 60.65 57.62 2pnk h LYS 315 Cb -0.03 0.13 -0.39 0.00 -1.58 0.00 0.00 32.23 30.36 2pnk h LYS 315 CO -0.02 1.11 -0.78 -0.06 -1.08 0.00 0.00 179.45 178.62 2pnk s PHE 316 N -3.08 1.52 -0.42 -1.35 0.08 -0.83 -4.99 117.98 108.91 2pnk s PHE 316 Ca -0.05 -1.11 0.23 0.00 0.12 0.00 0.00 56.93 56.12 2pnk s PHE 316 Cb 0.09 -1.22 1.02 0.00 -0.57 0.00 0.00 43.02 42.33 2pnk s PHE 316 CO 0.86 -0.64 1.69 -1.13 -0.10 0.00 0.00 175.22 175.90 2pnk n SER 317 N 4.92 0.63 -0.45 1.36 3.41 -1.26 -1.98 113.62 120.25 2pnk n SER 317 Ca -0.10 0.69 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 2pnk n SER 317 Cb 0.47 -0.81 0.26 0.00 -0.26 0.00 0.00 64.21 63.87 2pnk n SER 317 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2pnk n ASN 318 N -2.23 1.32 -3.83 4.04 6.94 -1.26 -5.03 115.26 115.20 2pnk n ASN 318 Ca 0.01 -1.83 -0.14 0.00 -0.02 0.00 0.00 54.58 52.60 2pnk n ASN 318 Cb 0.18 -0.13 0.02 0.00 -2.36 0.00 0.00 39.78 37.49 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 0.15 0.00 -3.64 -4.53 7.94 -0.84 -0.67 117.00 115.41 2pnk n LEU 319 Ca 0.12 -1.70 -0.15 0.00 -1.11 0.00 0.00 56.01 53.17 2pnk n LEU 319 Cb 0.24 -0.14 -0.08 0.00 0.53 0.00 0.00 43.42 43.97 2pnk n LEU 319 CO 0.09 -0.55 0.27 0.27 -1.11 0.00 0.00 177.39 176.36 2pnk s ILE 321 N -1.51 0.01 -0.04 1.96 -4.36 -1.26 -4.93 121.20 111.07 2pnk s ILE 321 Ca 0.29 -0.10 -0.03 0.00 -0.26 0.00 0.00 60.65 60.55 2pnk s ILE 321 Cb -0.02 -0.82 0.02 0.00 1.25 0.00 0.00 42.46 42.88 2pnk s ILE 321 CO 0.18 -0.06 0.10 0.72 0.24 0.00 0.00 174.94 176.13 2pnk s PHE 322 N -0.55 -0.10 0.00 1.37 -0.71 -0.81 -2.28 117.98 114.90 2pnk s PHE 322 Ca -0.07 0.29 0.00 0.00 -1.04 0.00 0.00 56.93 56.12 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 -0.08 0.00 0.41 -1.34 0.00 0.00 175.22 174.25 2pnk n GLY 323 N 3.44 -2.01 2.95 1.99 0.00 -0.36 -4.37 105.19 106.83 2pnk n GLY 323 Ca -0.17 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.40 3.07 0.00 0.00 -0.00 -1.26 -3.37 118.94 116.98 2pnk s TRP 325 Ca 0.18 1.21 0.00 0.00 -0.00 0.00 0.00 56.10 57.48 2pnk s TRP 325 Cb -0.24 -3.46 0.00 0.00 -0.00 0.00 0.00 33.47 29.77 2pnk s TRP 325 CO -0.02 -1.10 0.00 1.87 -0.00 0.00 0.00 176.95 177.70 2pnk n TRP 326 N 6.60 0.00 -0.45 5.86 -0.00 -1.26 -4.02 117.44 124.17 2pnk n TRP 326 Ca 0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.58 2pnk n TRP 326 Cb 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.69 2pnk n TRP 326 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 2pnk n PHE 327 N 0.00 0.00 -3.87 5.87 3.72 -1.26 -4.64 117.46 117.28 2pnk n PHE 327 Ca 0.00 -0.68 -0.35 0.00 -0.05 0.00 0.00 57.45 56.37 2pnk n PHE 327 Cb 0.00 -0.90 0.02 0.00 -0.94 0.00 0.00 39.48 37.66 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 2.67 -3.97 -3.90 4.37 5.15 -1.22 -5.02 115.26 113.33 2pnk n ASN 329 Ca 0.18 -1.11 -0.16 0.00 -0.60 0.00 0.00 54.58 52.89 2pnk n ASN 329 Cb 0.41 -2.75 -0.15 0.00 -0.53 0.00 0.00 39.78 36.77 2pnk n ASN 329 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2pnk s ASN 330 N -3.66 0.53 0.28 1.20 0.01 -1.26 -5.01 114.94 107.03 2pnk s ASN 330 Ca 0.39 -0.07 -0.04 0.00 -0.71 0.00 0.00 52.86 52.43 2pnk s ASN 330 Cb -0.17 -0.15 0.55 0.00 0.41 0.00 0.00 41.25 41.89 2pnk s ASN 330 CO 0.90 -0.00 1.50 -2.65 -1.51 0.00 0.00 177.10 175.34 2pnk n PRO 331 N 3.41 -0.08 -0.35 -0.60 -0.02 -1.26 -0.91 135.00 135.18 2pnk n PRO 331 Ca -0.18 1.48 -0.01 0.00 -2.02 0.00 0.00 63.50 62.77 2pnk n PRO 331 Cb 0.55 -2.25 0.14 0.00 -0.02 0.00 0.00 33.50 31.92 2pnk n PRO 331 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2pnk h GLU 332 N 0.00 1.25 0.21 -0.52 4.57 -2.00 -1.59 114.58 116.49 2pnk h GLU 332 Ca 0.50 -0.07 -0.34 0.00 -1.18 0.00 0.00 59.36 58.27 2pnk h GLU 332 Cb 0.88 -0.28 0.02 0.00 -0.16 0.00 0.00 28.75 29.21 2pnk h GLU 332 CO -0.96 0.82 -1.59 0.82 -1.18 0.00 0.00 179.01 176.92 2pnk h ILE 333 N 1.28 1.13 -0.80 2.32 2.04 -1.44 -3.02 117.51 119.03 2pnk h ILE 333 Ca 0.37 -2.65 0.11 0.00 1.00 0.00 0.00 64.86 63.68 2pnk h ILE 333 Cb -0.09 2.89 -0.08 0.00 -0.74 0.00 0.00 36.82 38.80 2pnk h ILE 333 CO -0.09 0.84 0.43 0.40 0.00 0.00 0.00 178.15 179.72 2pnk h ILE 334 N 0.12 0.85 0.39 -0.67 2.04 -0.98 -2.93 117.51 116.34 2pnk h ILE 334 Ca -0.29 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2pnk h ILE 334 Cb 2.12 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2pnk h ILE 334 CO 0.22 0.13 -0.19 -1.13 0.00 0.00 0.00 178.15 177.18 2pnk h ASN 335 N 0.70 -0.45 0.00 1.72 -1.24 -1.34 0.42 115.58 115.39 2pnk h ASN 335 Ca 0.40 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.33 2pnk h ASN 335 Cb 0.43 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.59 2pnk h ASN 335 CO -0.28 -0.19 0.00 -1.84 -1.29 0.00 0.00 177.43 173.83 2pnk n GLU 336 N -5.25 0.20 0.00 6.67 0.28 -1.11 -1.55 120.64 119.89 2pnk n GLU 336 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 2pnk n GLU 336 Cb 0.27 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 31.85 2pnk n GLU 336 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2pnk n THR 338 N 0.71 0.00 0.43 3.84 -1.04 0.14 -4.60 114.28 113.76 2pnk n THR 338 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2pnk n THR 338 Cb 0.08 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 2pnk n THR 338 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2pnk n ARG 339 N 0.00 0.43 -0.43 -2.82 1.74 -0.59 -4.55 116.66 110.44 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 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 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 0.45 -0.58 0.00 5.56 1.74 -1.26 -5.01 116.66 117.56 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 0.14 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 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 -0.43 -0.95 0.00 5.56 1.02 -1.26 -3.81 120.64 120.78 2pnk n GLU 343 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2pnk n GLU 343 Cb 0.00 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2pnk n GLU 343 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2pnk n LEU 345 N 0.00 0.00 0.00 -4.62 4.77 -1.26 -5.15 117.00 110.74 2pnk n LEU 345 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pnk n LEU 345 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2pnk n LEU 345 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2pnk n GLY 346 N 0.00 4.05 1.16 -0.72 0.00 -1.25 -1.71 105.19 106.72 2pnk n GLY 346 Ca 0.00 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 1.44 -1.52 2.61 -2.24 -1.26 -4.73 114.28 108.57 2pnk n THR 347 Ca 0.00 -1.17 -0.29 0.00 -2.27 0.00 0.00 64.05 60.32 2pnk n THR 347 Cb 0.00 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 2pnk n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2pnk n SER 348 N 0.87 6.90 -3.59 3.42 3.41 -0.70 -4.76 113.62 119.18 2pnk n SER 348 Ca 0.21 -2.99 -0.08 0.00 -0.26 0.00 0.00 58.87 55.74 2pnk n SER 348 Cb 0.69 -1.33 -0.01 0.00 -0.26 0.00 0.00 64.21 63.29 2pnk n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2pnk s PHE 349 N -0.68 0.00 -0.35 7.33 -0.71 -1.26 -4.82 117.98 117.49 2pnk s PHE 349 Ca 0.60 -0.51 -0.04 0.00 -1.04 0.00 0.00 56.93 55.95 2pnk s PHE 349 Cb 0.30 0.66 0.07 0.00 -1.21 0.00 0.00 43.02 42.84 2pnk s PHE 349 CO -0.13 -1.31 0.10 0.42 -1.34 0.00 0.00 175.22 172.96 2pnk s ILE 350 N -3.44 3.34 0.36 -4.49 1.01 -0.97 -4.69 121.20 112.32 2pnk s ILE 350 Ca 0.14 -1.52 0.08 0.00 0.00 0.00 0.00 60.65 59.36 2pnk s ILE 350 Cb -0.05 -3.03 0.13 0.00 0.01 0.00 0.00 42.46 39.52 2pnk s ILE 350 CO 0.09 -0.32 1.86 1.55 0.00 0.00 0.00 174.94 178.12 2pnk h PRO 351 N 8.09 0.26 -2.83 2.79 0.13 -1.86 -0.95 132.00 137.62 2pnk h PRO 351 Ca -0.19 -0.07 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 2pnk h PRO 351 Cb 1.06 -0.03 -0.18 0.00 0.13 0.00 0.00 31.00 31.99 2pnk h PRO 351 CO 0.61 0.45 -0.09 -1.14 -0.23 0.00 0.00 178.00 177.60 2pnk s GLN 352 N -4.58 0.88 0.16 0.86 2.00 -1.26 -3.50 119.66 114.21 2pnk s GLN 352 Ca -0.05 -0.20 -0.02 0.00 -2.00 0.00 0.00 55.36 53.09 2pnk s GLN 352 Cb 0.15 0.40 -0.03 0.00 0.80 0.00 0.00 33.01 34.32 2pnk s GLN 352 CO 0.74 -0.28 0.13 -3.38 -0.50 0.00 0.00 175.29 172.00 2pnk s HIS 353 N -1.91 0.88 -0.17 1.67 -3.43 -1.26 -4.67 115.29 106.39 2pnk s HIS 353 Ca -0.09 -1.20 0.16 0.00 -0.80 0.00 0.00 55.06 53.13 2pnk s HIS 353 Cb -0.02 -0.43 -0.24 0.00 -1.43 0.00 0.00 32.58 30.46 2pnk s HIS 353 CO 0.02 -0.61 0.17 -1.13 -2.00 0.00 0.00 174.74 171.19 2pnk n SER 354 N -0.18 0.26 -2.29 7.38 3.41 -1.24 -4.74 113.62 116.23 2pnk n SER 354 Ca -0.03 0.07 -0.14 0.00 -0.26 0.00 0.00 58.87 58.52 2pnk n SER 354 Cb 0.64 0.73 -0.01 0.00 -0.26 0.00 0.00 64.21 65.30 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 -2.83 -4.20 -4.72 4.04 8.00 -0.10 -4.88 116.55 111.86 2pnk n ASP 355 Ca -0.30 0.18 -0.42 0.00 0.71 0.00 0.00 54.79 54.95 2pnk n ASP 355 Cb 1.13 -3.59 -0.03 0.00 -0.02 0.00 0.00 41.12 38.61 2pnk n ASP 355 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pnk n ALA 356 N -1.80 2.73 -0.05 2.24 0.00 -1.26 -4.37 120.51 118.00 2pnk n ALA 356 Ca -0.16 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.67 2pnk n ALA 356 Cb 0.60 -2.51 -0.13 0.00 0.00 0.00 0.00 19.45 17.41 2pnk n ALA 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pnk n ARG 357 N 3.78 0.99 -4.95 0.00 1.74 -1.26 0.02 116.66 116.98 2pnk n ARG 357 Ca 0.15 -0.07 -0.32 0.00 -0.77 0.00 0.00 57.85 56.84 2pnk n ARG 357 Cb 0.35 -1.43 -0.15 0.00 -1.02 0.00 0.00 32.46 30.21 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 -2.73 2.74 0.25 1.55 1.01 -1.26 -4.30 120.40 117.65 2pnk s VAL 358 Ca -0.08 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 2pnk s VAL 358 Cb 0.07 -2.10 0.33 0.00 0.00 0.00 0.00 36.38 34.69 2pnk s VAL 358 CO 0.71 0.55 1.60 0.25 0.00 0.00 0.00 175.10 178.21 2pnk h LEU 359 N 6.31 -0.63 -2.07 3.92 5.85 -0.80 -1.37 115.31 126.52 2pnk h LEU 359 Ca -0.30 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2pnk h LEU 359 Cb 1.20 0.46 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 2pnk h LEU 359 CO 0.52 -0.25 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.00 2pnk h GLU 360 N 0.02 0.00 -0.20 1.25 3.07 -1.95 -2.44 114.58 114.34 2pnk h GLU 360 Ca 0.41 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 59.32 2pnk h GLU 360 Cb 0.66 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 2pnk h GLU 360 CO -0.79 0.03 0.19 1.96 -1.40 0.00 0.00 179.01 179.00 2pnk h GLN 361 N 0.00 0.00 -1.00 2.33 4.20 -1.64 -0.50 115.11 118.49 2pnk h GLN 361 Ca -0.00 0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.92 2pnk h GLN 361 Cb 0.31 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.98 2pnk h GLN 361 CO 0.00 0.00 0.61 -0.07 -0.67 0.00 0.00 178.83 178.70 2pnk h LEU 362 N 0.00 0.74 0.79 1.46 3.38 -1.62 0.22 115.31 120.28 2pnk h LEU 362 Ca 0.09 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2pnk h LEU 362 Cb 0.46 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.20 2pnk h LEU 362 CO -0.00 0.21 -0.40 0.40 0.09 0.00 0.00 178.44 178.74 2pnk h ILE 363 N 0.69 0.18 -0.09 1.22 2.04 -1.32 -1.99 117.51 118.25 2pnk h ILE 363 Ca 0.60 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 66.26 2pnk h ILE 363 Cb 1.03 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2pnk h ILE 363 CO -0.41 0.00 -0.77 0.10 0.00 0.00 0.00 178.15 177.07 2pnk h TYR 364 N -1.09 0.69 -0.25 1.37 -0.00 -1.47 -1.22 116.97 115.00 2pnk h TYR 364 Ca -0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 58.73 58.30 2pnk h TYR 364 Cb 0.85 -0.10 -0.01 0.00 0.00 0.00 0.00 36.73 37.46 2pnk h TYR 364 CO -0.04 1.10 0.14 0.87 -0.00 0.00 0.00 178.16 180.23 2pnk h LYS 365 N 0.34 0.35 -0.19 0.10 1.79 -0.63 0.75 116.57 119.07 2pnk h LYS 365 Ca -0.04 -0.04 -0.21 0.00 -2.18 0.00 0.00 60.65 58.17 2pnk h LYS 365 Cb 1.37 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.96 2pnk h LYS 365 CO 0.14 0.32 -0.70 -1.49 -1.08 0.00 0.00 179.45 176.64 2pnk h TRP 366 N 0.29 1.04 -0.12 -1.35 4.06 -1.34 -2.40 115.95 116.13 2pnk h TRP 366 Ca 0.09 -0.43 -0.01 0.00 2.06 0.00 0.00 58.89 60.60 2pnk h TRP 366 Cb 0.07 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 28.06 2pnk h TRP 366 CO -0.03 1.25 0.03 0.45 -3.56 0.00 0.00 178.44 176.59 2pnk h HIS 367 N 0.56 0.19 -0.57 0.49 3.86 -1.12 0.11 115.15 118.66 2pnk h HIS 367 Ca -0.03 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 2pnk h HIS 367 Cb 1.32 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.71 2pnk h HIS 367 CO 0.08 0.32 0.29 0.45 0.86 0.00 0.00 177.93 179.94 2pnk h HIS 368 N -0.00 0.80 -0.17 2.45 3.86 -0.93 -2.77 115.15 118.39 2pnk h HIS 368 Ca 0.04 -0.03 -0.21 0.00 -1.16 0.00 0.00 60.37 59.01 2pnk h HIS 368 Cb 0.23 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 28.45 2pnk h HIS 368 CO -0.00 0.60 -0.72 0.77 0.86 0.00 0.00 177.93 179.44 2pnk h SER 369 N 0.77 0.93 -0.86 2.45 0.02 -1.31 -3.17 113.55 112.38 2pnk h SER 369 Ca 0.20 -0.61 0.01 0.00 -0.84 0.00 0.00 61.79 60.55 2pnk h SER 369 Cb 0.08 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 2pnk h SER 369 CO -0.03 1.39 0.57 0.11 -1.14 0.00 0.00 176.83 177.73 2pnk h LYS 370 N 0.53 1.12 -0.71 3.45 1.57 -0.76 -0.36 116.57 121.40 2pnk h LYS 370 Ca -0.04 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2pnk h LYS 370 Cb 1.35 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 2pnk h LYS 370 CO 0.15 0.74 0.36 0.66 -0.57 0.00 0.00 179.45 180.79 2pnk h SER 371 N 1.15 0.91 -0.24 0.86 4.64 -1.52 0.38 113.55 119.73 2pnk h SER 371 Ca 0.32 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 2pnk h SER 371 Cb -0.10 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.75 2pnk h SER 371 CO -0.08 0.77 -0.03 0.40 -0.87 0.00 0.00 176.83 177.03 2pnk h ILE 372 N 0.99 1.27 -0.55 0.95 2.04 -1.43 -2.66 117.51 118.11 2pnk h ILE 372 Ca 0.25 -0.98 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 2pnk h ILE 372 Cb 0.09 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2pnk h ILE 372 CO -0.03 0.30 0.06 0.40 0.00 0.00 0.00 178.15 178.88 2pnk h ILE 373 N 0.20 1.26 -0.62 -0.67 2.04 -0.68 -1.99 117.51 117.04 2pnk h ILE 373 Ca 0.07 -1.02 0.11 0.00 1.00 0.00 0.00 64.86 65.01 2pnk h ILE 373 Cb 0.46 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.30 2pnk h ILE 373 CO 0.02 0.37 0.20 0.00 0.00 0.00 0.00 178.15 178.74 2pnk h ALA 374 N 0.98 0.79 -0.29 1.87 0.00 -0.22 -0.95 119.26 121.44 2pnk h ALA 374 Ca 0.16 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2pnk h ALA 374 Cb 0.45 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2pnk h ALA 374 CO 0.02 -0.24 -0.23 0.93 0.00 0.00 0.00 179.25 179.73 2pnk h GLU 375 N 0.36 0.56 -0.03 0.00 4.39 -1.04 0.47 114.58 119.28 2pnk h GLU 375 Ca 0.32 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2pnk h GLU 375 Cb 0.44 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2pnk h GLU 375 CO -0.35 0.76 0.01 0.28 -1.16 0.00 0.00 179.01 178.54 2pnk h VAL 376 N 0.50 1.18 -0.55 3.13 2.07 -0.77 -2.07 116.25 119.74 2pnk h VAL 376 Ca 0.07 -0.55 0.09 0.00 0.82 0.00 0.00 66.70 67.14 2pnk h VAL 376 Cb 0.68 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 2pnk h VAL 376 CO 0.05 0.15 0.16 -0.07 0.02 0.00 0.00 177.57 177.87 2pnk h LEU 377 N -0.16 0.10 -0.38 2.57 3.38 -0.91 -0.46 115.31 119.45 2pnk h LEU 377 Ca 0.01 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2pnk h LEU 377 Cb 0.23 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2pnk h LEU 377 CO 0.00 0.07 0.18 0.40 0.09 0.00 0.00 178.44 179.18 2pnk h ILE 378 N 0.31 0.96 -0.56 1.22 2.04 -0.78 0.11 117.51 120.81 2pnk h ILE 378 Ca 0.28 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 66.06 2pnk h ILE 378 Cb 0.36 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 2pnk h ILE 378 CO -0.32 0.07 0.30 0.44 0.00 0.00 0.00 178.15 178.64 2pnk h ASP 379 N 0.37 0.44 -0.12 1.72 3.32 -0.59 -0.15 116.42 121.41 2pnk h ASP 379 Ca 0.16 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.04 2pnk h ASP 379 Cb 0.08 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.59 2pnk h ASP 379 CO -0.12 0.30 -0.69 0.11 -1.72 0.00 0.00 179.24 177.12 2pnk h LYS 380 N 0.57 0.67 -0.62 3.56 6.56 -0.62 -1.77 116.57 124.93 2pnk h LYS 380 Ca 0.25 -0.57 -0.07 0.00 -1.06 0.00 0.00 60.65 59.20 2pnk h LYS 380 Cb 0.14 0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.90 2pnk h LYS 380 CO -0.16 1.18 0.12 1.88 -2.06 0.00 0.00 179.45 180.41 2pnk h TYR 381 N 0.35 1.03 -0.71 -1.35 0.05 -0.78 -3.01 116.97 112.55 2pnk h TYR 381 Ca -0.05 -0.12 -0.06 0.00 0.05 0.00 0.00 58.73 58.54 2pnk h TYR 381 Cb 1.33 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 38.75 2pnk h TYR 381 CO 0.10 0.87 0.21 0.22 -1.05 0.00 0.00 178.16 178.50 2pnk h ASP 382 N 0.93 1.03 -0.83 3.88 3.58 -0.90 0.52 116.42 124.63 2pnk h ASP 382 Ca 0.19 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2pnk h ASP 382 Cb 0.38 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 2pnk h ASP 382 CO 0.01 0.97 0.48 0.44 -2.88 0.00 0.00 179.24 178.25 2pnk h ASP 383 N 1.05 1.03 0.60 2.28 3.32 -1.25 0.33 116.42 123.79 2pnk h ASP 383 Ca 0.23 -0.08 -0.21 0.00 0.02 0.00 0.00 57.03 56.99 2pnk h ASP 383 Cb 0.32 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2pnk h ASP 383 CO -0.00 0.81 -0.94 0.16 -1.72 0.00 0.00 179.24 177.55 2pnk h ILE 384 N 1.17 1.51 -0.28 0.35 3.07 -1.35 -2.69 117.51 119.29 2pnk h ILE 384 Ca 0.30 -2.73 0.02 0.00 1.55 0.00 0.00 64.86 64.00 2pnk h ILE 384 Cb -0.00 2.56 -0.02 0.00 -0.27 0.00 0.00 36.82 39.08 2pnk h ILE 384 CO -0.05 0.80 0.14 0.25 -1.05 0.00 0.00 178.15 178.24 2pnk h LEU 385 N 0.11 0.22 -1.41 0.16 5.85 0.15 -1.31 115.31 119.07 2pnk h LEU 385 Ca -0.06 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 2pnk h LEU 385 Cb 1.60 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 2pnk h LEU 385 CO 0.15 0.16 -0.22 1.56 -0.34 0.00 0.00 178.44 179.75 2pnk h GLN 386 N 0.30 0.00 0.00 1.25 1.08 -0.42 -1.41 115.11 115.90 2pnk h GLN 386 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2pnk h GLN 386 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2pnk h GLN 386 CO -0.07 0.22 0.00 0.00 -0.95 0.00 0.00 178.83 178.03 2pnk n ALA 387 N -2.28 2.00 0.00 3.87 0.00 -0.68 -4.88 120.51 118.54 2pnk n ALA 387 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2pnk n ALA 387 Cb 0.37 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.37 0.74 3.74 0.00 0.00 -0.53 -5.07 105.19 104.44 2pnk n GLY 388 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 3.81 -0.31 1.61 -0.11 -0.58 -5.01 118.94 116.35 2pnk s TRP 389 Ca 0.00 1.68 -0.24 0.00 1.22 0.00 0.00 56.10 58.76 2pnk s TRP 389 Cb 0.00 -2.94 0.00 0.00 -1.50 0.00 0.00 33.47 29.03 2pnk s TRP 389 CO 0.00 0.27 0.81 -2.00 -4.62 0.00 0.00 176.95 171.42 2pnk s GLU 390 N -0.20 3.96 -0.23 5.86 2.12 -1.26 -4.17 118.70 124.77 2pnk s GLU 390 Ca 0.43 0.61 -0.11 0.00 0.36 0.00 0.00 54.97 56.26 2pnk s GLU 390 Cb -0.22 -3.73 -0.05 0.00 0.26 0.00 0.00 34.13 30.38 2pnk s GLU 390 CO 0.27 -0.71 0.18 0.08 -0.54 0.00 0.00 175.26 174.55 2pnk s VAL 391 N 3.02 5.35 0.12 3.70 1.01 -1.26 -5.09 120.40 127.24 2pnk s VAL 391 Ca 0.33 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.57 2pnk s VAL 391 Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2pnk s VAL 391 CO 0.13 0.34 0.23 0.42 0.00 0.00 0.00 175.10 176.23 2pnk s THR 392 N 1.04 5.23 0.33 3.92 -4.23 -1.26 -4.30 115.64 116.36 2pnk s THR 392 Ca 0.09 -0.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 2pnk s THR 392 Cb -0.13 -3.63 0.24 0.00 1.34 0.00 0.00 72.50 70.31 2pnk s THR 392 CO 0.04 -0.00 1.96 -0.08 -0.54 0.00 0.00 174.62 176.00 2pnk h GLU 393 N 2.54 0.87 -0.55 3.99 4.81 -1.99 -1.42 114.58 122.83 2pnk h GLU 393 Ca -0.47 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 58.62 2pnk h GLU 393 Cb 1.18 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 2pnk h GLU 393 CO 0.70 0.62 0.09 0.93 -0.73 0.00 0.00 179.01 180.63 2pnk h GLU 394 N 0.88 0.86 -0.52 1.92 4.39 -1.99 -0.03 114.58 120.09 2pnk h GLU 394 Ca 0.23 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 2pnk h GLU 394 Cb -0.01 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 2pnk h GLU 394 CO -0.04 0.80 0.01 0.93 -1.16 0.00 0.00 179.01 179.55 2pnk h GLU 395 N 0.82 0.92 -0.11 2.33 5.08 -1.73 -0.91 114.58 120.99 2pnk h GLU 395 Ca 0.17 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2pnk h GLU 395 Cb 0.36 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2pnk h GLU 395 CO 0.01 0.93 0.02 0.82 -1.00 0.00 0.00 179.01 179.79 2pnk h ILE 396 N 0.79 0.95 -0.67 3.13 2.04 -0.99 0.50 117.51 123.26 2pnk h ILE 396 Ca 0.15 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 2pnk h ILE 396 Cb 0.51 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2pnk h ILE 396 CO 0.02 0.01 0.38 0.11 0.00 0.00 0.00 178.15 178.68 2pnk h LYS 397 N 0.06 0.92 -0.04 2.37 1.57 -0.79 0.01 116.57 120.67 2pnk h LYS 397 Ca 0.05 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2pnk h LYS 397 Cb 0.04 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 2pnk h LYS 397 CO -0.07 0.66 0.02 -0.09 -0.57 0.00 0.00 179.45 179.41 2pnk h ARG 398 N 0.93 0.06 -0.64 3.15 2.43 -0.87 -1.39 114.38 118.05 2pnk h ARG 398 Ca 0.24 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2pnk h ARG 398 Cb 0.00 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2pnk h ARG 398 CO -0.04 0.17 0.40 -0.44 -1.51 0.00 0.00 179.97 178.55 2pnk h ASP 399 N -0.06 0.76 0.00 -3.80 3.32 -0.08 -1.15 116.42 115.41 2pnk h ASP 399 Ca 0.01 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 2pnk h ASP 399 Cb 0.13 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2pnk h ASP 399 CO -0.00 0.58 -0.34 0.58 -1.72 0.00 0.00 179.24 178.34 2pnk h VAL 400 N 0.87 1.29 -0.24 -1.35 2.07 -1.01 -1.73 116.25 116.14 2pnk h VAL 400 Ca 0.23 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2pnk h VAL 400 Cb -0.05 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2pnk h VAL 400 CO -0.05 0.45 0.10 0.00 0.02 0.00 0.00 177.57 178.10 2pnk h ALA 401 N 1.24 0.31 -0.35 1.67 0.00 -0.91 -1.72 119.26 119.50 2pnk h ALA 401 Ca 0.05 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2pnk h ALA 401 Cb 0.79 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 2pnk h ALA 401 CO 0.06 -0.11 -0.09 -0.44 0.00 0.00 0.00 179.25 178.68 2pnk h ASP 402 N 0.24 -0.33 -0.45 0.00 3.32 -0.89 -0.39 116.42 117.93 2pnk h ASP 402 Ca 0.08 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 2pnk h ASP 402 Cb 0.15 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2pnk h ASP 402 CO -0.01 -0.12 0.05 -0.07 -1.72 0.00 0.00 179.24 177.38 2pnk h LEU 403 N -0.00 0.73 -0.14 1.55 3.38 -1.09 -0.81 115.31 118.92 2pnk h LEU 403 Ca 0.17 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2pnk h LEU 403 Cb 0.26 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2pnk h LEU 403 CO -0.36 0.82 -0.59 0.49 0.09 0.00 0.00 178.44 178.89 2pnk n PHE 404 N -4.45 0.00 0.11 1.13 3.72 -0.67 -4.22 117.46 113.09 2pnk n PHE 404 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2pnk n PHE 404 Cb 0.26 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.27 -1.75 0.04 4.37 2.88 -0.52 -1.13 113.62 116.24 2pnk n SER 405 Ca 0.06 0.42 -0.06 0.00 -1.33 0.00 0.00 58.87 57.96 2pnk n SER 405 Cb 0.34 1.84 0.12 0.00 -0.75 0.00 0.00 64.21 65.77 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 0.40 -0.73 -1.46 3.08 -1.11 -2.87 114.38 111.68 2pnk h ARG 406 Ca 0.00 -0.23 0.07 0.00 0.07 0.00 0.00 59.98 59.88 2pnk h ARG 406 Cb 0.00 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 2pnk h ARG 406 CO 0.00 0.81 0.42 -0.91 -1.07 0.00 0.00 179.97 179.22 2pnk h ASN 407 N 0.32 0.63 0.35 7.04 2.35 -1.36 0.52 115.58 125.43 2pnk h ASN 407 Ca 0.02 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2pnk h ASN 407 Cb 0.98 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.26 2pnk h ASN 407 CO 0.09 0.40 -0.17 0.15 -1.65 0.00 0.00 177.43 176.25 2pnk h PHE 408 N 0.76 -0.43 -0.31 1.19 3.57 -1.76 -1.74 116.94 118.21 2pnk h PHE 408 Ca 0.33 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.73 2pnk h PHE 408 Cb 0.21 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2pnk h PHE 408 CO -0.07 -0.21 -0.19 -1.49 -2.23 0.00 0.00 178.31 174.12 2pnk h TRP 409 N -0.56 0.64 -0.68 0.41 4.06 -1.24 -0.81 115.95 117.76 2pnk h TRP 409 Ca -0.05 -0.13 -0.02 0.00 2.06 0.00 0.00 58.89 60.76 2pnk h TRP 409 Cb 0.42 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.38 2pnk h TRP 409 CO -0.03 0.73 0.35 -0.09 -3.56 0.00 0.00 178.44 175.84 2pnk h ARG 410 N 0.52 0.97 -0.18 0.49 2.43 -0.92 -0.61 114.38 117.07 2pnk h ARG 410 Ca 0.08 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 2pnk h ARG 410 Cb 0.62 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2pnk h ARG 410 CO 0.04 0.75 -0.23 0.35 -1.51 0.00 0.00 179.97 179.38 2pnk h PHE 411 N 0.94 0.57 0.00 2.20 3.57 -0.70 -3.09 116.94 120.43 2pnk h PHE 411 Ca 0.24 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2pnk h PHE 411 Cb 0.09 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2pnk h PHE 411 CO 0.00 0.86 0.00 1.33 -2.23 0.00 0.00 178.31 178.27 2pnk n VAL 412 N -4.44 0.64 -2.85 1.41 0.24 -0.37 -4.90 118.33 108.07 2pnk n VAL 412 Ca -0.06 0.02 -0.10 0.00 -2.04 0.00 0.00 64.34 62.16 2pnk n VAL 412 Cb 0.42 -0.83 0.04 0.00 -1.47 0.00 0.00 33.84 32.00 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 0.69 0.15 2.58 7.63 0.00 -0.26 -4.82 105.19 111.17 2pnk n GLY 413 Ca 0.04 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 2pnk n GLY 413 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2pnk n ARG 414 N -2.56 0.52 -4.63 1.61 0.00 -1.04 -5.07 116.66 105.50 2pnk n ARG 414 Ca -0.07 -2.20 -0.31 0.00 -0.00 0.00 0.00 57.85 55.27 2pnk n ARG 414 Cb 0.55 2.08 -0.12 0.00 -0.00 0.00 0.00 32.46 34.98 2pnk n ARG 414 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2pnk s ASN 415 N -2.68 4.05 0.68 2.89 0.01 -1.26 -4.56 114.94 114.06 2pnk s ASN 415 Ca 0.23 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 52.06 2pnk s ASN 415 Cb -0.01 -0.77 0.00 0.00 0.41 0.00 0.00 41.25 40.89 2pnk s ASN 415 CO 0.17 0.27 0.00 -0.90 -1.51 0.00 0.00 177.10 175.13 2pnk n ASP 416 N 1.62 -0.41 0.04 -1.22 5.68 -1.26 -4.75 116.55 116.25 2pnk n ASP 416 Ca -0.16 -0.47 -0.07 0.00 -0.50 0.00 0.00 54.79 53.59 2pnk n ASP 416 Cb 0.52 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.60 2pnk n ASP 416 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 2pnk h HIS 417 N -0.98 0.53 0.16 2.11 -0.00 -1.88 -2.91 115.15 112.17 2pnk h HIS 417 Ca 0.00 -0.18 -0.25 0.00 -0.00 0.00 0.00 60.37 59.93 2pnk h HIS 417 Cb 0.00 -0.10 0.03 0.00 -0.00 0.00 0.00 27.41 27.34 2pnk h HIS 417 CO 0.00 0.87 -1.09 0.28 -0.00 0.00 0.00 177.93 177.99 2pnk h VAL 418 N 0.32 1.38 -0.30 6.12 2.07 -1.92 -3.33 116.25 120.60 2pnk h VAL 418 Ca 0.01 -2.52 -0.07 0.00 0.82 0.00 0.00 66.70 64.94 2pnk h VAL 418 Cb 1.06 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 33.79 2pnk h VAL 418 CO 0.09 0.74 -0.12 0.74 0.02 0.00 0.00 177.57 179.04 2pnk h THR 419 N -0.04 1.23 0.00 2.57 2.02 -1.92 -3.55 112.91 113.22 2pnk h THR 419 Ca -0.18 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 65.98 2pnk h THR 419 Cb 1.83 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 2pnk h THR 419 CO 0.21 0.33 0.00 -1.20 0.37 0.00 0.00 175.52 175.23