#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnk s SER 2 N 0.00 5.71 -0.40 1.61 1.04 -1.26 -5.15 113.70 115.25 2pnk s SER 2 Ca 0.00 -0.07 -0.18 0.00 0.48 0.00 0.00 55.95 56.18 2pnk s SER 2 Cb 0.00 -1.54 0.01 0.00 0.10 0.00 0.00 66.02 64.59 2pnk s SER 2 CO 0.00 0.05 0.47 -0.63 0.98 0.00 0.00 173.24 174.11 2pnk s ILE 3 N -1.79 5.05 -0.25 -1.02 1.01 -1.26 -4.94 121.20 118.00 2pnk s ILE 3 Ca 0.32 -0.11 0.22 0.00 0.00 0.00 0.00 60.65 61.08 2pnk s ILE 3 Cb -0.10 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 38.37 2pnk s ILE 3 CO 0.25 -0.37 1.09 -0.55 0.00 0.00 0.00 174.94 175.36 2pnk h ASN 4 N 8.67 0.00 -5.04 3.58 -1.07 -1.98 -3.48 115.58 116.26 2pnk h ASN 4 Ca -0.27 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.02 2pnk h ASN 4 Cb 1.12 0.00 -0.16 0.00 -2.07 0.00 0.00 38.32 37.20 2pnk h ASN 4 CO 0.79 0.07 -0.10 -0.94 0.07 0.00 0.00 177.43 177.32 2pnk s SER 5 N -5.52 -0.29 0.31 6.14 1.04 -1.26 -5.02 113.70 109.10 2pnk s SER 5 Ca 0.00 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2pnk s SER 5 Cb 0.09 0.43 0.52 0.00 0.10 0.00 0.00 66.02 67.16 2pnk s SER 5 CO 0.78 -0.67 1.96 -0.09 0.98 0.00 0.00 173.24 176.19 2pnk h ARG 6 N 2.98 1.00 -0.48 4.02 2.43 -1.98 -0.64 114.38 121.72 2pnk h ARG 6 Ca -0.31 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2pnk h ARG 6 Cb 1.21 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 2pnk h ARG 6 CO 0.43 0.66 0.30 0.93 -1.51 0.00 0.00 179.97 180.79 2pnk h GLU 7 N 1.03 0.64 -0.36 0.20 3.07 -1.99 0.37 114.58 117.55 2pnk h GLU 7 Ca 0.32 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 59.05 2pnk h GLU 7 Cb 0.01 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 2pnk h GLU 7 CO -0.09 0.45 -0.11 0.28 -1.40 0.00 0.00 179.01 178.13 2pnk h VAL 8 N 0.65 1.28 -0.38 3.13 2.07 -1.89 -2.85 116.25 118.25 2pnk h VAL 8 Ca 0.17 -1.20 0.08 0.00 0.82 0.00 0.00 66.70 66.57 2pnk h VAL 8 Cb -0.04 1.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 2pnk h VAL 8 CO -0.04 0.40 -0.12 0.25 0.02 0.00 0.00 177.57 178.08 2pnk h LEU 9 N 0.50 -0.42 -0.86 2.57 5.85 -0.90 -1.82 115.31 120.23 2pnk h LEU 9 Ca 0.09 0.12 0.07 0.00 0.84 0.00 0.00 57.88 59.00 2pnk h LEU 9 Cb 0.63 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 2pnk h LEU 9 CO 0.04 -0.15 0.53 0.00 -0.34 0.00 0.00 178.44 178.52 2pnk h ALA 10 N 1.33 1.19 -0.24 1.25 0.00 -0.11 -0.33 119.26 122.36 2pnk h ALA 10 Ca 0.19 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 2pnk h ALA 10 Cb 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2pnk h ALA 10 CO -0.41 0.26 -0.46 0.93 0.00 0.00 0.00 179.25 179.56 2pnk h GLU 11 N 0.95 0.73 -0.86 0.00 4.39 -1.21 -1.76 114.58 116.83 2pnk h GLU 11 Ca 0.38 -0.47 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2pnk h GLU 11 Cb 0.20 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 2pnk h GLU 11 CO -0.18 1.10 0.48 0.87 -1.16 0.00 0.00 179.01 180.11 2pnk h LYS 12 N 0.46 1.20 -0.12 2.33 1.57 -0.92 -1.29 116.57 119.79 2pnk h LYS 12 Ca 0.01 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 2pnk h LYS 12 Cb 1.07 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 2pnk h LYS 12 CO 0.10 0.87 -0.15 0.28 -0.57 0.00 0.00 179.45 179.99 2pnk h VAL 13 N 1.21 1.36 -0.78 0.50 2.07 -1.01 -0.83 116.25 118.77 2pnk h VAL 13 Ca 0.30 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.51 2pnk h VAL 13 Cb 0.02 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 2pnk h VAL 13 CO -0.05 0.39 0.50 0.11 0.02 0.00 0.00 177.57 178.54 2pnk h LYS 14 N -0.08 0.96 -0.38 1.57 1.57 -1.27 0.40 116.57 119.35 2pnk h LYS 14 Ca 0.02 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2pnk h LYS 14 Cb 0.69 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2pnk h LYS 14 CO 0.04 0.63 0.11 -0.91 -0.57 0.00 0.00 179.45 178.75 2pnk h ASN 15 N 0.99 0.56 -0.42 0.86 2.35 -1.21 0.96 115.58 119.65 2pnk h ASN 15 Ca 0.31 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2pnk h ASN 15 Cb -0.02 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 2pnk h ASN 15 CO -0.10 0.62 0.23 0.00 -1.65 0.00 0.00 177.43 176.53 2pnk h ALA 16 N 0.95 0.54 -0.19 -0.83 0.00 -0.71 -1.41 119.26 117.62 2pnk h ALA 16 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pnk h ALA 16 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2pnk h ALA 16 CO -0.00 0.07 0.09 0.28 0.00 0.00 0.00 179.25 179.69 2pnk h VAL 17 N 0.55 1.12 -0.59 0.00 2.07 -0.85 -1.87 116.25 116.69 2pnk h VAL 17 Ca 0.15 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 2pnk h VAL 17 Cb 0.06 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2pnk h VAL 17 CO -0.02 0.12 0.20 0.78 0.02 0.00 0.00 177.57 178.66 2pnk h ASN 18 N 0.18 0.81 1.98 0.57 2.35 -0.65 -3.08 115.58 117.75 2pnk h ASN 18 Ca 0.06 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2pnk h ASN 18 Cb 0.10 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2pnk h ASN 18 CO -0.01 0.76 0.00 0.78 -1.65 0.00 0.00 177.43 177.31 2pnk h ASN 19 N 0.86 0.00 -2.85 5.81 2.35 -1.07 -3.45 115.58 117.23 2pnk h ASN 19 Ca 0.20 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.38 2pnk h ASN 19 Cb 0.23 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 2pnk h ASN 19 CO -0.01 0.00 0.99 -1.58 -1.65 0.00 0.00 177.43 175.18 2pnk s GLN 20 N -3.21 4.11 0.24 0.81 2.00 -0.72 -4.98 119.66 117.90 2pnk s GLN 20 Ca 0.07 1.73 -0.30 0.00 -2.00 0.00 0.00 55.36 54.86 2pnk s GLN 20 Cb 0.05 -3.88 -0.10 0.00 0.80 0.00 0.00 33.01 29.88 2pnk s GLN 20 CO 0.67 -0.89 1.46 -2.14 -0.50 0.00 0.00 175.29 173.89 2pnk s PRO 21 N 3.91 4.26 0.00 1.67 0.02 -1.26 -4.93 135.00 138.66 2pnk s PRO 21 Ca 0.62 2.31 -0.20 0.00 0.02 0.00 0.00 61.00 63.75 2pnk s PRO 21 Cb -0.24 -3.12 -0.06 0.00 0.02 0.00 0.00 34.50 31.10 2pnk s PRO 21 CO 0.22 -0.45 0.57 0.08 -0.33 0.00 0.00 177.00 177.08 2pnk s VAL 22 N 0.17 4.90 -0.26 3.83 1.01 0.34 -4.69 120.40 125.70 2pnk s VAL 22 Ca 0.61 1.19 -0.18 0.00 0.00 0.00 0.00 61.98 63.60 2pnk s VAL 22 Cb -0.42 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 2pnk s VAL 22 CO 0.41 0.45 0.51 -0.89 0.00 0.00 0.00 175.10 175.59 2pnk s THR 23 N -0.39 5.08 0.39 3.92 2.01 -0.60 -0.53 115.64 125.51 2pnk s THR 23 Ca 0.30 0.87 0.07 0.00 0.31 0.00 0.00 61.69 63.24 2pnk s THR 23 Cb -0.18 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.51 2pnk s THR 23 CO 0.17 0.09 0.53 -0.62 -0.69 0.00 0.00 174.62 174.10 2pnk s ASP 24 N 1.53 5.80 -0.44 3.53 -1.08 0.10 -4.72 116.67 121.40 2pnk s ASP 24 Ca 0.21 -0.26 -0.40 0.00 -0.52 0.00 0.00 52.55 51.58 2pnk s ASP 24 Cb -0.16 -0.98 -0.17 0.00 -1.46 0.00 0.00 42.92 40.16 2pnk s ASP 24 CO 0.09 -0.61 1.64 1.57 0.52 0.00 0.00 175.17 178.37 2pnk n HIS 26 N -1.78 1.27 -4.09 -5.34 -0.00 -1.26 -0.79 115.22 103.23 2pnk n HIS 26 Ca 0.04 0.83 -0.10 0.00 -0.00 0.00 0.00 57.72 58.49 2pnk n HIS 26 Cb 0.59 -1.97 -0.09 0.00 -0.00 0.00 0.00 29.99 28.51 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 3.96 0.09 -0.39 3.57 -4.23 -0.65 -1.45 115.64 116.54 2pnk s THR 27 Ca 0.98 -1.74 0.05 0.00 -1.18 0.00 0.00 61.69 59.80 2pnk s THR 27 Cb -1.31 -1.97 0.47 0.00 1.34 0.00 0.00 72.50 71.03 2pnk s THR 27 CO 0.64 -0.42 1.49 1.41 -0.54 0.00 0.00 174.62 177.20 2pnk n HIS 28 N -0.13 2.44 -3.82 3.99 8.25 0.13 -2.14 115.22 123.94 2pnk n HIS 28 Ca -0.06 -2.28 -0.21 0.00 -0.26 0.00 0.00 57.72 54.91 2pnk n HIS 28 Cb 0.63 -0.68 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 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 -3.57 3.81 0.07 2.41 1.43 -1.19 -4.57 118.68 117.07 2pnk s LEU 29 Ca 0.53 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 2pnk s LEU 29 Cb 0.44 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 2pnk s LEU 29 CO 0.01 -0.27 -0.10 -0.36 0.23 0.00 0.00 176.35 175.87 2pnk s PHE 30 N -2.20 0.92 0.23 0.29 0.08 -1.26 -4.37 117.98 111.66 2pnk s PHE 30 Ca 0.39 -0.55 -0.31 0.00 0.12 0.00 0.00 56.93 56.58 2pnk s PHE 30 Cb -0.07 -0.52 -0.15 0.00 -0.57 0.00 0.00 43.02 41.71 2pnk s PHE 30 CO 0.27 -0.03 1.15 0.45 -0.10 0.00 0.00 175.22 176.97 2pnk n SER 31 N 1.11 1.59 0.19 1.36 2.88 -1.26 -4.77 113.62 114.72 2pnk n SER 31 Ca -0.20 1.16 0.13 0.00 -1.33 0.00 0.00 58.87 58.63 2pnk n SER 31 Cb 0.56 -1.28 0.71 0.00 -0.75 0.00 0.00 64.21 63.44 2pnk n SER 31 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2pnk h PRO 32 N 3.02 0.00 0.00 -1.46 0.13 -1.93 -0.81 132.00 130.95 2pnk h PRO 32 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2pnk h PRO 32 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2pnk h PRO 32 CO 0.68 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.72 2pnk n ASN 33 N -4.33 0.00 0.01 1.44 6.94 -1.26 -1.37 115.26 116.69 2pnk n ASN 33 Ca 0.01 0.36 0.13 0.00 -0.02 0.00 0.00 54.58 55.06 2pnk n ASN 33 Cb 0.26 -0.41 0.59 0.00 -2.36 0.00 0.00 39.78 37.85 2pnk n ASN 33 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2pnk n PHE 34 N -1.41 0.05 -1.21 -2.53 3.01 -0.31 -5.02 117.46 110.04 2pnk n PHE 34 Ca 0.03 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.51 2pnk n PHE 34 Cb 0.09 -0.52 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 1.37 0.19 0.00 1.37 0.00 -0.47 -4.41 105.19 103.24 2pnk n GLY 35 Ca 0.07 -1.55 0.12 0.00 0.00 0.00 0.00 46.02 44.66 2pnk n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pnk n GLU 36 N 1.16 0.40 0.24 1.61 -0.58 -1.26 -1.81 120.64 120.39 2pnk n GLU 36 Ca 0.00 0.05 0.16 0.00 -0.42 0.00 0.00 57.16 56.95 2pnk n GLU 36 Cb 0.00 -1.50 0.68 0.00 -0.57 0.00 0.00 31.44 30.05 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 0.00 -3.10 -3.67 3.07 -1.93 -3.38 117.51 108.50 2pnk h ILE 37 Ca 0.00 -0.36 -0.56 0.00 1.55 0.00 0.00 64.86 65.49 2pnk h ILE 37 Cb 0.20 1.27 -0.05 0.00 -0.27 0.00 0.00 36.82 37.96 2pnk h ILE 37 CO 0.00 0.00 1.09 -0.22 -1.05 0.00 0.00 178.15 177.97 2pnk s LEU 38 N -5.62 3.51 0.01 0.16 2.96 -0.75 -4.76 118.68 114.19 2pnk s LEU 38 Ca 0.01 0.62 -0.22 0.00 -0.22 0.00 0.00 54.13 54.32 2pnk s LEU 38 Cb 0.09 -3.35 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 2pnk s LEU 38 CO 0.47 -1.55 0.66 -0.76 -1.32 0.00 0.00 176.35 173.85 2pnk s LEU 39 N 5.74 4.42 0.06 -0.68 1.43 -1.26 -5.02 118.68 123.36 2pnk s LEU 39 Ca 0.58 1.25 -0.22 0.00 -1.03 0.00 0.00 54.13 54.71 2pnk s LEU 39 Cb -0.12 -3.03 0.05 0.00 0.03 0.00 0.00 46.19 43.12 2pnk s LEU 39 CO 0.30 0.06 0.52 -1.66 0.23 0.00 0.00 176.35 175.79 2pnk s TRP 40 N -0.07 -0.42 0.00 0.29 1.48 -1.26 -0.86 118.94 118.10 2pnk s TRP 40 Ca 0.34 0.42 0.00 0.00 -1.06 0.00 0.00 56.10 55.80 2pnk s TRP 40 Cb -0.19 0.35 0.00 0.00 -1.16 0.00 0.00 33.47 32.47 2pnk s TRP 40 CO 0.19 -0.66 0.00 -0.40 -4.06 0.00 0.00 176.95 172.02 2pnk n ASP 41 N 0.31 0.00 -0.02 -2.66 5.68 -1.26 -4.65 116.55 113.95 2pnk n ASP 41 Ca -0.18 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.09 2pnk n ASP 41 Cb 0.61 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.81 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 1.23 -0.33 2.12 6.09 -1.96 -0.77 117.51 123.90 2pnk h ILE 42 Ca 0.00 -1.03 -0.09 0.00 -1.37 0.00 0.00 64.86 62.37 2pnk h ILE 42 Cb 0.00 1.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.37 2pnk h ILE 42 CO 0.00 0.34 -0.18 0.44 -3.07 0.00 0.00 178.15 175.68 2pnk h ASP 43 N 0.53 0.60 -0.30 2.19 3.32 -1.95 0.26 116.42 121.07 2pnk h ASP 43 Ca 0.10 -0.19 -0.17 0.00 0.02 0.00 0.00 57.03 56.79 2pnk h ASP 43 Cb 0.49 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 2pnk h ASP 43 CO 0.03 0.79 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.53 2pnk h GLU 44 N 0.54 0.84 -0.71 3.56 4.39 -1.72 -2.10 114.58 119.39 2pnk h GLU 44 Ca 0.09 -0.51 0.06 0.00 0.34 0.00 0.00 59.36 59.33 2pnk h GLU 44 Cb 0.61 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.26 2pnk h GLU 44 CO 0.04 1.15 0.41 -0.07 -1.16 0.00 0.00 179.01 179.38 2pnk h LEU 45 N 0.62 0.63 -0.33 1.33 3.38 -0.97 -2.33 115.31 117.65 2pnk h LEU 45 Ca 0.03 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2pnk h LEU 45 Cb 1.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2pnk h LEU 45 CO 0.11 0.41 -0.55 -0.07 0.09 0.00 0.00 178.44 178.43 2pnk h LEU 46 N 0.77 0.00 -2.45 1.67 3.38 -0.84 -3.18 115.31 114.66 2pnk h LEU 46 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2pnk h LEU 46 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2pnk h LEU 46 CO -0.17 0.55 0.00 0.35 0.09 0.00 0.00 178.44 179.26 2pnk n THR 47 N -3.37 0.90 -1.62 0.22 -2.24 -0.80 -4.69 114.28 102.68 2pnk n THR 47 Ca 0.01 -0.89 -0.45 0.00 -2.27 0.00 0.00 64.05 60.45 2pnk n THR 47 Cb 0.69 0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 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 1.44 1.59 0.27 4.78 9.36 -0.89 -4.70 117.16 129.00 2pnk n TYR 48 Ca 0.22 0.63 0.16 0.00 3.32 0.00 0.00 57.90 62.24 2pnk n TYR 48 Cb 0.56 -2.32 0.90 0.00 -0.63 0.00 0.00 39.34 37.86 2pnk n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 2pnk h HIS 49 N 2.76 0.00 -0.78 2.98 2.07 -1.93 0.22 115.15 120.47 2pnk h HIS 49 Ca -0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 2pnk h HIS 49 Cb 1.32 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.26 2pnk h HIS 49 CO 0.51 0.00 0.49 1.88 -3.07 0.00 0.00 177.93 177.74 2pnk h TYR 50 N 0.00 1.01 0.00 6.12 -1.99 -1.94 -2.08 116.97 118.09 2pnk h TYR 50 Ca 0.03 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.66 2pnk h TYR 50 Cb 0.21 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.58 2pnk h TYR 50 CO 0.00 0.66 -0.68 -0.07 -0.00 0.00 0.00 178.16 178.07 2pnk h LEU 51 N 1.07 0.00 -0.50 3.88 3.38 -0.87 -3.00 115.31 119.27 2pnk h LEU 51 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2pnk h LEU 51 Cb -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2pnk h LEU 51 CO -0.06 0.49 0.29 0.58 0.09 0.00 0.00 178.44 179.83 2pnk h VAL 52 N 0.00 1.16 -0.68 1.22 2.07 -1.10 -0.20 116.25 118.71 2pnk h VAL 52 Ca -0.03 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2pnk h VAL 52 Cb 1.40 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 2pnk h VAL 52 CO 0.06 0.16 0.36 0.00 0.02 0.00 0.00 177.57 178.17 2pnk h ALA 53 N 1.13 0.87 -0.28 1.67 0.00 -1.40 -3.10 119.26 118.17 2pnk h ALA 53 Ca 0.18 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2pnk h ALA 53 Cb 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2pnk h ALA 53 CO -0.03 0.41 -0.31 0.93 0.00 0.00 0.00 179.25 180.24 2pnk h GLU 54 N 0.94 0.70 -2.06 0.00 5.08 -1.37 -3.24 114.58 114.63 2pnk h GLU 54 Ca 0.24 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2pnk h GLU 54 Cb 0.07 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2pnk h GLU 54 CO -0.04 1.00 0.02 1.55 -1.00 0.00 0.00 179.01 180.55 2pnk n VAL 55 N -4.25 0.39 0.00 3.13 3.14 -0.10 -3.94 118.33 116.70 2pnk n VAL 55 Ca -0.04 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 2pnk n VAL 55 Cb 0.49 -1.13 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 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 1.98 0.00 -0.03 1.45 1.74 -1.23 -0.74 116.66 119.83 2pnk n ARG 57 Ca 0.01 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.04 2pnk n ARG 57 Cb 0.10 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.51 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 -2.20 -1.55 7.02 -1.25 -5.08 117.44 114.38 2pnk n TRP 58 Ca 0.00 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.15 2pnk n TRP 58 Cb 0.00 -0.23 -0.01 0.00 -2.42 0.00 0.00 31.31 28.66 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 -2.12 3.91 -0.82 -0.99 -1.32 0.08 -4.96 115.64 109.43 2pnk s THR 59 Ca -0.08 0.96 0.25 0.00 -1.21 0.00 0.00 61.69 61.61 2pnk s THR 59 Cb 0.03 -3.44 0.06 0.00 -1.51 0.00 0.00 72.50 67.64 2pnk s THR 59 CO 0.13 -0.48 1.44 0.47 -2.21 0.00 0.00 174.62 173.97 2pnk n ASP 60 N -1.75 0.55 -4.71 8.08 8.00 -1.26 -4.90 116.55 120.57 2pnk n ASP 60 Ca 0.09 0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 2pnk n ASP 60 Cb 0.53 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.67 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 -3.08 2.63 0.74 2.53 1.01 -1.26 -4.98 120.40 117.98 2pnk s VAL 61 Ca 0.09 0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.31 2pnk s VAL 61 Cb 0.15 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.34 2pnk s VAL 61 CO 0.69 0.02 1.11 -0.94 0.00 0.00 0.00 175.10 175.97 2pnk s SER 62 N 1.57 4.62 0.34 3.32 1.04 -1.26 -4.84 113.70 118.49 2pnk s SER 62 Ca 0.72 1.93 0.09 0.00 0.48 0.00 0.00 55.95 59.18 2pnk s SER 62 Cb -0.44 -2.54 0.60 0.00 0.10 0.00 0.00 66.02 63.74 2pnk s SER 62 CO 0.32 -1.96 1.78 -0.29 0.98 0.00 0.00 173.24 174.07 2pnk h ILE 63 N -0.71 1.28 -0.03 -1.02 6.09 -1.96 -0.28 117.51 120.87 2pnk h ILE 63 Ca -0.45 -1.32 -0.00 0.00 -1.37 0.00 0.00 64.86 61.72 2pnk h ILE 63 Cb 1.24 1.61 -0.00 0.00 0.47 0.00 0.00 36.82 40.14 2pnk h ILE 63 CO 0.52 0.39 0.01 -0.33 -3.07 0.00 0.00 178.15 175.66 2pnk h GLU 64 N 0.14 0.04 -0.98 2.19 3.07 -1.93 -1.95 114.58 115.17 2pnk h GLU 64 Ca 0.02 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.92 2pnk h GLU 64 Cb 0.69 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.53 2pnk h GLU 64 CO 0.05 0.27 0.63 0.00 -1.40 0.00 0.00 179.01 178.56 2pnk h ALA 65 N 0.77 1.33 -0.17 3.43 0.00 -1.87 -1.77 119.26 120.98 2pnk h ALA 65 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pnk h ALA 65 Cb 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2pnk h ALA 65 CO 0.00 0.47 0.11 0.35 0.00 0.00 0.00 179.25 180.18 2pnk h PHE 66 N 1.19 0.22 0.00 0.00 3.57 -0.85 -2.38 116.94 118.69 2pnk h PHE 66 Ca 0.41 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.89 2pnk h PHE 66 Cb 0.09 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 2pnk h PHE 66 CO -0.01 0.14 -0.12 -1.49 -2.23 0.00 0.00 178.31 174.61 2pnk h TRP 67 N 0.23 0.00 0.00 0.41 -0.00 -1.00 -3.45 115.95 112.14 2pnk h TRP 67 Ca 0.06 0.00 -0.29 0.00 -0.00 0.00 0.00 58.89 58.67 2pnk h TRP 67 Cb -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.11 2pnk h TRP 67 CO -0.06 0.12 1.04 0.00 -0.00 0.00 0.00 178.44 179.54 2pnk n ALA 68 N -2.19 5.62 -2.87 1.49 0.00 -0.70 -5.07 120.51 116.78 2pnk n ALA 68 Ca -0.01 -1.94 -0.21 0.00 0.00 0.00 0.00 53.44 51.28 2pnk n ALA 68 Cb 0.32 -2.63 -0.03 0.00 0.00 0.00 0.00 19.45 17.11 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 2.40 5.85 0.21 0.00 1.04 -1.26 -5.09 113.70 116.85 2pnk s SER 70 Ca 0.54 -0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.74 2pnk s SER 70 Cb 0.21 -1.58 0.30 0.00 0.10 0.00 0.00 66.02 65.05 2pnk s SER 70 CO -0.02 -0.06 1.68 0.50 0.98 0.00 0.00 173.24 176.32 2pnk h LYS 71 N 1.35 0.17 -0.60 4.02 1.63 -1.97 -0.31 116.57 120.86 2pnk h LYS 71 Ca -0.50 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.20 2pnk h LYS 71 Cb 1.24 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.80 2pnk h LYS 71 CO 0.61 0.11 0.03 -0.09 -3.45 0.00 0.00 179.45 176.66 2pnk h ARG 72 N 0.18 1.03 -0.63 1.90 2.43 -1.99 -0.95 114.38 116.34 2pnk h ARG 72 Ca 0.32 -0.30 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 2pnk h ARG 72 Cb 0.50 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2pnk h ARG 72 CO -0.47 0.99 0.10 0.93 -1.51 0.00 0.00 179.97 180.01 2pnk h GLU 73 N 0.95 1.05 -0.29 0.20 5.08 -1.83 -0.50 114.58 119.23 2pnk h GLU 73 Ca 0.18 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2pnk h GLU 73 Cb 0.51 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2pnk h GLU 73 CO 0.02 0.97 0.12 1.96 -1.00 0.00 0.00 179.01 181.09 2pnk h GLN 74 N 0.96 0.43 -0.81 2.33 4.20 -0.83 -1.89 115.11 119.51 2pnk h GLN 74 Ca 0.19 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2pnk h GLN 74 Cb 0.44 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 2pnk h GLN 74 CO 0.01 0.45 0.51 0.00 -0.67 0.00 0.00 178.83 179.13 2pnk h ALA 75 N 0.97 1.03 -0.68 3.87 0.00 -0.96 -0.88 119.26 122.61 2pnk h ALA 75 Ca 0.10 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2pnk h ALA 75 Cb 0.17 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2pnk h ALA 75 CO -0.01 0.46 0.43 -0.44 0.00 0.00 0.00 179.25 179.70 2pnk h ASP 76 N 1.10 0.72 -0.35 0.00 3.32 -0.98 0.48 116.42 120.71 2pnk h ASP 76 Ca 0.29 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 2pnk h ASP 76 Cb -0.08 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2pnk h ASP 76 CO -0.06 0.51 -0.01 0.25 -1.72 0.00 0.00 179.24 178.21 2pnk h LEU 77 N 0.86 0.62 -0.42 1.55 5.85 -0.87 -1.38 115.31 121.52 2pnk h LEU 77 Ca 0.27 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2pnk h LEU 77 Cb -0.02 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2pnk h LEU 77 CO -0.09 0.78 0.10 0.40 -0.34 0.00 0.00 178.44 179.29 2pnk h ILE 78 N 0.44 1.23 0.05 4.05 2.04 -0.81 -0.09 117.51 124.42 2pnk h ILE 78 Ca 0.10 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.18 2pnk h ILE 78 Cb 0.47 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2pnk h ILE 78 CO 0.02 0.28 -0.27 -0.25 0.00 0.00 0.00 178.15 177.93 2pnk h TRP 79 N 0.54 -0.72 -0.30 1.37 2.91 -0.85 0.13 115.95 119.02 2pnk h TRP 79 Ca 0.13 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.18 2pnk h TRP 79 Cb 0.32 0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 29.27 2pnk h TRP 79 CO 0.02 -0.36 0.20 1.49 -1.03 0.00 0.00 178.44 178.75 2pnk h GLU 80 N -0.44 0.39 -0.03 2.65 4.57 -1.00 -1.62 114.58 119.09 2pnk h GLU 80 Ca 0.05 -0.02 -0.24 0.00 -1.18 0.00 0.00 59.36 57.96 2pnk h GLU 80 Cb 0.50 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2pnk h GLU 80 CO -0.20 0.26 -0.95 0.93 -1.18 0.00 0.00 179.01 177.87 2pnk h GLU 81 N 0.40 0.60 0.00 1.92 4.39 -0.90 -0.19 114.58 120.79 2pnk h GLU 81 Ca 0.11 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.21 2pnk h GLU 81 Cb -0.04 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2pnk h GLU 81 CO -0.03 1.21 -1.20 1.28 -1.16 0.00 0.00 179.01 179.12 2pnk n LEU 82 N -3.83 0.62 -0.02 1.33 4.77 0.02 -3.86 117.00 116.03 2pnk n LEU 82 Ca -0.08 -0.35 -0.03 0.00 -0.03 0.00 0.00 56.01 55.52 2pnk n LEU 82 Cb 0.83 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.90 2pnk n LEU 82 CO 0.53 0.15 -0.65 0.49 -1.33 0.00 0.00 177.39 176.59 2pnk n PHE 83 N -1.67 0.00 -0.10 -1.77 3.01 -0.65 -3.39 117.46 112.90 2pnk n PHE 83 Ca 0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.24 2pnk n PHE 83 Cb 0.36 -0.18 -0.12 0.00 -0.01 0.00 0.00 39.48 39.54 2pnk n PHE 83 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2pnk n ILE 84 N -2.62 1.56 0.22 4.37 2.08 -0.98 -4.37 119.36 119.62 2pnk n ILE 84 Ca -0.08 -0.17 0.12 0.00 0.56 0.00 0.00 62.75 63.18 2pnk n ILE 84 Cb 0.59 -1.96 0.16 0.00 -0.75 0.00 0.00 39.64 37.67 2pnk n ILE 84 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2pnk h LYS 85 N -0.85 0.00 -4.05 0.38 1.57 -1.21 -3.44 116.57 108.97 2pnk h LYS 85 Ca -0.42 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.21 2pnk h LYS 85 Cb 1.46 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.59 2pnk h LYS 85 CO -0.21 0.00 -0.67 1.03 -0.57 0.00 0.00 179.45 179.03 2pnk s ARG 86 N -3.22 0.47 0.39 3.15 3.00 -1.25 -5.05 118.95 116.44 2pnk s ARG 86 Ca 0.07 -0.87 -0.26 0.00 0.00 0.00 0.00 55.73 54.67 2pnk s ARG 86 Cb 0.05 0.17 -0.09 0.00 0.00 0.00 0.00 34.95 35.08 2pnk s ARG 86 CO 0.68 -0.09 1.21 -1.12 0.00 0.00 0.00 175.30 175.98 2pnk s SER 87 N -2.12 6.51 -1.56 0.23 0.01 -1.26 -3.51 113.70 112.00 2pnk s SER 87 Ca -0.05 2.45 -0.10 0.00 1.31 0.00 0.00 55.95 59.56 2pnk s SER 87 Cb -0.02 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 2pnk s SER 87 CO -0.05 -0.69 2.78 -0.81 0.41 0.00 0.00 173.24 174.88 2pnk n PRO 88 N 0.19 3.71 0.08 12.44 -0.04 -1.22 -4.65 135.00 145.51 2pnk n PRO 88 Ca 0.04 -2.43 0.12 0.00 -0.04 0.00 0.00 63.50 61.18 2pnk n PRO 88 Cb 0.45 -2.84 0.09 0.00 -0.04 0.00 0.00 33.50 31.16 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 3.09 0.00 -4.23 0.52 -1.51 -1.91 -3.14 116.25 109.08 2pnk h VAL 89 Ca 0.81 -0.69 -0.53 0.00 -1.23 0.00 0.00 66.70 65.06 2pnk h VAL 89 Cb 0.34 1.23 0.18 0.00 -2.13 0.00 0.00 31.29 30.90 2pnk h VAL 89 CO 1.76 0.00 0.31 -0.94 -1.23 0.00 0.00 177.57 177.47 2pnk s SER 90 N -4.68 3.54 0.12 4.19 1.04 -1.26 -4.73 113.70 111.93 2pnk s SER 90 Ca 0.04 2.25 -0.20 0.00 0.48 0.00 0.00 55.95 58.52 2pnk s SER 90 Cb 0.12 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.61 2pnk s SER 90 CO 0.75 -2.69 1.77 -0.08 0.98 0.00 0.00 173.24 173.97 2pnk h GLU 91 N -1.15 0.22 -0.71 4.02 4.57 -1.97 0.14 114.58 119.70 2pnk h GLU 91 Ca -0.45 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 57.75 2pnk h GLU 91 Cb 1.28 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.77 2pnk h GLU 91 CO 0.46 0.15 0.44 0.00 -1.18 0.00 0.00 179.01 178.87 2pnk h ALA 92 N 1.09 0.94 -0.17 2.92 0.00 -1.95 -0.75 119.26 121.35 2pnk h ALA 92 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2pnk h ALA 92 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2pnk h ALA 92 CO -0.04 0.20 -0.15 0.00 0.00 0.00 0.00 179.25 179.25 2pnk h ARG 94 N 0.04 0.63 -0.90 0.00 2.43 -0.56 -2.49 114.38 113.54 2pnk h ARG 94 Ca 0.03 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2pnk h ARG 94 Cb 0.68 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 2pnk h ARG 94 CO 0.04 0.42 0.57 0.78 -1.51 0.00 0.00 179.97 180.27 2pnk h GLY 95 N 0.65 1.35 0.70 2.80 0.00 -0.90 -1.48 103.07 106.19 2pnk h GLY 95 Ca 0.46 -0.42 0.05 0.00 0.00 0.00 0.00 47.33 47.42 2pnk h GLY 95 CO -0.35 0.30 0.30 -2.08 0.00 0.00 0.00 176.54 174.71 2pnk h VAL 96 N 1.05 0.96 -0.40 4.60 2.07 -1.26 -1.22 116.25 122.05 2pnk h VAL 96 Ca 0.39 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.67 2pnk h VAL 96 Cb 0.14 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2pnk h VAL 96 CO -0.16 0.10 0.09 -0.07 0.02 0.00 0.00 177.57 177.55 2pnk h LEU 97 N 0.57 0.60 -0.89 2.57 3.38 -1.37 -0.79 115.31 119.38 2pnk h LEU 97 Ca 0.25 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2pnk h LEU 97 Cb 0.16 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2pnk h LEU 97 CO -0.17 0.68 0.56 0.74 0.09 0.00 0.00 178.44 180.34 2pnk h THR 98 N 0.50 1.07 0.08 0.22 2.02 -1.05 -0.41 112.91 115.35 2pnk h THR 98 Ca 0.12 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 2pnk h THR 98 Cb 0.32 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2pnk h THR 98 CO 0.00 0.19 -0.04 0.00 0.37 0.00 0.00 175.52 176.04 2pnk h LEU 100 N -0.19 0.04 -0.37 0.00 3.38 -0.78 -1.66 115.31 115.74 2pnk h LEU 100 Ca -0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2pnk h LEU 100 Cb 0.16 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2pnk h LEU 100 CO 0.02 0.06 0.24 -0.61 0.09 0.00 0.00 178.44 178.24 2pnk h GLN 101 N 0.23 0.49 -0.59 1.13 4.15 -1.00 0.17 115.11 119.68 2pnk h GLN 101 Ca 0.19 -0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.67 2pnk h GLN 101 Cb 0.21 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 2pnk h GLN 101 CO -0.24 0.32 0.39 0.78 -1.93 0.00 0.00 178.83 178.16 2pnk h GLY 102 N 0.50 0.60 0.24 2.39 0.00 -0.61 -0.77 103.07 105.42 2pnk h GLY 102 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2pnk h GLY 102 CO -0.03 0.12 -0.02 1.04 0.00 0.00 0.00 176.54 177.65 2pnk n LEU 103 N -4.47 0.82 0.00 3.11 4.77 -0.67 -4.88 117.00 115.68 2pnk n LEU 103 Ca 0.09 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2pnk n LEU 103 Cb 0.33 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2pnk n LEU 103 CO 0.34 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2pnk n GLY 104 N 1.12 0.55 3.54 -0.72 0.00 -0.30 -5.04 105.19 104.34 2pnk n GLY 104 Ca 0.20 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 2pnk n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pnk s LEU 105 N 0.00 3.87 -0.41 0.99 1.43 -0.01 -5.00 118.68 119.55 2pnk s LEU 105 Ca 0.00 -0.11 -0.28 0.00 -1.03 0.00 0.00 54.13 52.71 2pnk s LEU 105 Cb 0.00 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.19 2pnk s LEU 105 CO 0.00 -0.06 1.08 -0.62 0.23 0.00 0.00 176.35 176.98 2pnk s ASP 106 N 1.71 6.73 0.47 2.29 -1.08 -1.26 -3.19 116.67 122.34 2pnk s ASP 106 Ca 0.07 0.65 0.32 0.00 -0.52 0.00 0.00 52.55 53.07 2pnk s ASP 106 Cb -0.16 -2.53 1.53 0.00 -1.46 0.00 0.00 42.92 40.30 2pnk s ASP 106 CO 0.09 -1.07 1.97 -0.65 0.52 0.00 0.00 175.17 176.02 2pnk h PRO 107 N 8.75 0.00 -0.97 4.34 0.11 -1.90 -2.99 132.00 139.34 2pnk h PRO 107 Ca -0.22 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.06 2pnk h PRO 107 Cb 1.06 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.08 2pnk h PRO 107 CO 1.07 0.00 0.61 0.00 -0.21 0.00 0.00 178.00 179.48 2pnk h ALA 108 N 2.06 1.77 0.00 -0.75 0.00 -2.01 -2.28 119.26 118.06 2pnk h ALA 108 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pnk h ALA 108 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pnk h ALA 108 CO 0.00 -0.09 -0.10 1.79 0.00 0.00 0.00 179.25 180.84 2pnk h THR 109 N 0.73 0.00 -3.85 0.00 1.35 -1.95 -3.47 112.91 105.72 2pnk h THR 109 Ca 0.53 -0.57 -0.22 0.00 -0.55 0.00 0.00 66.41 65.59 2pnk h THR 109 Cb 0.86 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 2pnk h THR 109 CO -0.30 0.00 -0.28 0.54 -0.25 0.00 0.00 175.52 175.23 2pnk n ARG 110 N -2.39 -2.26 -3.08 4.72 1.74 -0.86 -4.87 116.66 109.66 2pnk n ARG 110 Ca 0.05 0.55 -0.44 0.00 -0.77 0.00 0.00 57.85 57.23 2pnk n ARG 110 Cb 0.45 -5.12 0.00 0.00 -1.02 0.00 0.00 32.46 26.77 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 -1.72 5.50 -0.14 0.55 -0.08 -1.26 -4.85 116.55 114.54 2pnk n ASP 111 Ca -0.13 -3.07 0.05 0.00 -1.51 0.00 0.00 54.79 50.13 2pnk n ASP 111 Cb 0.59 -1.44 0.36 0.00 2.34 0.00 0.00 41.12 42.97 2pnk n ASP 111 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2pnk h LEU 112 N 7.65 0.64 -0.70 -2.67 5.85 -1.98 -1.01 115.31 123.09 2pnk h LEU 112 Ca 0.25 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 2pnk h LEU 112 Cb 0.82 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2pnk h LEU 112 CO 1.19 0.43 -0.27 1.56 -0.34 0.00 0.00 178.44 181.01 2pnk h GLN 113 N 0.74 0.70 -0.53 1.25 1.08 -2.00 -1.57 115.11 114.78 2pnk h GLN 113 Ca 0.27 -0.30 -0.12 0.00 -1.45 0.00 0.00 58.65 57.05 2pnk h GLN 113 Cb 0.14 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 2pnk h GLN 113 CO -0.08 0.90 -0.12 0.28 -0.95 0.00 0.00 178.83 178.86 2pnk h VAL 114 N 0.61 1.27 -0.80 -0.54 2.07 -1.65 -2.68 116.25 114.52 2pnk h VAL 114 Ca 0.08 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.37 2pnk h VAL 114 Cb 0.77 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 2pnk h VAL 114 CO 0.06 0.45 0.49 1.88 0.02 0.00 0.00 177.57 180.48 2pnk h TYR 115 N 0.90 0.91 -0.63 1.57 0.05 -0.88 -2.27 116.97 116.61 2pnk h TYR 115 Ca 0.14 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 2pnk h TYR 115 Cb 0.69 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 2pnk h TYR 115 CO 0.05 0.48 0.39 0.00 -1.05 0.00 0.00 178.16 178.02 2pnk h ARG 116 N 0.92 0.85 -0.31 4.88 3.08 -1.06 -2.23 114.38 120.52 2pnk h ARG 116 Ca 0.34 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 2pnk h ARG 116 Cb 0.12 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2pnk h ARG 116 CO -0.15 0.59 0.16 0.93 -1.07 0.00 0.00 179.97 180.43 2pnk h GLU 117 N 0.87 0.41 -0.80 0.04 5.08 -1.08 -2.52 114.58 116.58 2pnk h GLU 117 Ca 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2pnk h GLU 117 Cb -0.04 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 2pnk h GLU 117 CO -0.04 0.32 0.51 -0.92 -1.00 0.00 0.00 179.01 177.88 2pnk h TYR 118 N 0.42 1.02 0.02 4.33 5.03 -1.34 -2.97 116.97 123.48 2pnk h TYR 118 Ca 0.11 0.02 -0.22 0.00 2.58 0.00 0.00 58.73 61.22 2pnk h TYR 118 Cb 0.03 -0.34 -0.03 0.00 1.55 0.00 0.00 36.73 37.94 2pnk h TYR 118 CO 0.00 0.66 -1.04 0.74 -1.32 0.00 0.00 178.16 177.20 2pnk h PHE 119 N 1.09 0.07 0.00 -3.82 0.04 -1.55 -3.17 116.94 109.60 2pnk h PHE 119 Ca 0.29 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 2pnk h PHE 119 Cb -0.10 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.05 2pnk h PHE 119 CO -0.01 1.04 -0.02 0.00 -0.60 0.00 0.00 178.31 178.72 2pnk h ALA 120 N 0.94 1.12 -0.00 2.45 0.00 -1.32 -2.51 119.26 119.93 2pnk h ALA 120 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2pnk h ALA 120 Cb 1.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2pnk h ALA 120 CO 0.14 0.02 -0.20 1.63 0.00 0.00 0.00 179.25 180.84 2pnk n LYS 121 N -3.27 0.48 -4.42 0.00 5.02 -1.19 -4.94 118.16 109.82 2pnk n LYS 121 Ca -0.02 -0.20 -0.25 0.00 -2.02 0.00 0.00 58.31 55.81 2pnk n LYS 121 Cb 0.14 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.55 2pnk n LYS 121 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2pnk s LYS 122 N -2.66 1.68 0.47 1.97 1.02 -0.95 -5.14 119.74 116.14 2pnk s LYS 122 Ca 0.22 -1.59 -0.03 0.00 0.02 0.00 0.00 55.97 54.59 2pnk s LYS 122 Cb 0.19 -1.87 -0.02 0.00 -0.52 0.00 0.00 37.83 35.62 2pnk s LYS 122 CO 0.54 0.37 0.74 0.95 -0.92 0.00 0.00 175.35 177.03 2pnk s THR 123 N -2.04 4.41 0.20 2.17 -4.23 -1.26 -4.97 115.64 109.92 2pnk s THR 123 Ca 0.25 -0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.50 2pnk s THR 123 Cb -0.07 -3.67 0.14 0.00 1.34 0.00 0.00 72.50 70.25 2pnk s THR 123 CO 0.13 -0.57 1.72 0.28 -0.54 0.00 0.00 174.62 175.64 2pnk h SER 124 N 0.28 0.06 -0.73 3.99 0.02 -1.97 -1.78 113.55 113.41 2pnk h SER 124 Ca -0.47 0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.53 2pnk h SER 124 Cb 1.23 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 2pnk h SER 124 CO 0.60 0.04 0.26 -0.33 -1.14 0.00 0.00 176.83 176.26 2pnk h GLU 125 N 0.29 1.12 -0.62 3.45 3.07 -1.95 -1.42 114.58 118.53 2pnk h GLU 125 Ca 0.30 -0.22 -0.03 0.00 -0.50 0.00 0.00 59.36 58.90 2pnk h GLU 125 Cb 0.41 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 2pnk h GLU 125 CO -0.36 0.94 0.28 0.93 -1.40 0.00 0.00 179.01 179.41 2pnk h GLU 126 N 1.07 0.90 -0.28 2.33 5.08 -1.86 -2.51 114.58 119.32 2pnk h GLU 126 Ca 0.24 -0.14 -0.16 0.00 -1.00 0.00 0.00 59.36 58.30 2pnk h GLU 126 Cb 0.26 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2pnk h GLU 126 CO -0.01 0.74 -0.47 0.37 -1.00 0.00 0.00 179.01 178.63 2pnk h GLN 127 N 0.85 0.75 -0.37 2.33 5.75 -1.03 -1.15 115.11 122.24 2pnk h GLN 127 Ca 0.21 -0.43 0.04 0.00 -0.15 0.00 0.00 58.65 58.32 2pnk h GLN 127 Cb 0.14 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 2pnk h GLN 127 CO -0.02 1.05 0.12 0.28 -2.65 0.00 0.00 178.83 177.62 2pnk h VAL 128 N 0.59 0.89 -0.44 2.39 2.07 -1.23 0.15 116.25 120.68 2pnk h VAL 128 Ca 0.03 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.49 2pnk h VAL 128 Cb 1.04 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2pnk h VAL 128 CO 0.10 0.05 0.23 0.44 0.02 0.00 0.00 177.57 178.41 2pnk h ASP 129 N 0.28 0.34 -0.05 0.57 3.32 -1.08 -0.60 116.42 119.19 2pnk h ASP 129 Ca 0.17 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2pnk h ASP 129 Cb 0.15 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2pnk h ASP 129 CO -0.17 0.24 0.03 0.74 -1.72 0.00 0.00 179.24 178.35 2pnk h THR 130 N 0.46 1.09 -0.26 0.35 2.02 -0.90 -2.73 112.91 112.95 2pnk h THR 130 Ca 0.18 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 2pnk h THR 130 Cb 0.08 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2pnk h THR 130 CO -0.12 0.08 -0.20 0.58 0.37 0.00 0.00 175.52 176.23 2pnk h VAL 131 N -0.03 1.31 -0.59 3.16 2.07 -0.40 -1.56 116.25 120.21 2pnk h VAL 131 Ca 0.02 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 2pnk h VAL 131 Cb 0.10 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2pnk h VAL 131 CO -0.00 0.42 0.20 -0.07 0.02 0.00 0.00 177.57 178.14 2pnk h LEU 132 N 0.31 0.80 -0.04 2.57 3.38 -1.18 0.93 115.31 122.08 2pnk h LEU 132 Ca 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2pnk h LEU 132 Cb 0.74 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2pnk h LEU 132 CO 0.05 0.74 -0.01 -0.61 0.09 0.00 0.00 178.44 178.70 2pnk h GLN 133 N 0.85 0.08 -0.49 1.13 4.15 -1.41 -1.04 115.11 118.39 2pnk h GLN 133 Ca 0.20 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.54 2pnk h GLN 133 Cb 0.21 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2pnk h GLN 133 CO -0.01 0.42 0.10 -0.07 -1.93 0.00 0.00 178.83 177.33 2pnk h LEU 134 N -0.25 0.70 0.00 -2.39 3.38 -0.87 -2.46 115.31 113.42 2pnk h LEU 134 Ca 0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2pnk h LEU 134 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2pnk h LEU 134 CO 0.00 0.70 -0.24 0.00 0.09 0.00 0.00 178.44 179.00 2pnk n ALA 135 N -2.47 2.77 -3.55 1.53 0.00 0.28 -4.96 120.51 114.12 2pnk n ALA 135 Ca 0.03 -0.18 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 2pnk n ALA 135 Cb 0.23 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.41 2pnk n ALA 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2pnk n ASN 136 N -1.70 -4.08 -4.24 0.00 5.15 -0.53 -4.82 115.26 105.04 2pnk n ASN 136 Ca 0.06 -0.84 -0.35 0.00 -0.60 0.00 0.00 54.58 52.86 2pnk n ASN 136 Cb 0.37 -4.25 -0.14 0.00 -0.53 0.00 0.00 39.78 35.22 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 -3.51 3.03 0.01 3.44 1.01 -0.51 -0.51 120.40 123.36 2pnk s VAL 137 Ca 0.28 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.56 2pnk s VAL 137 Cb -0.07 -2.43 -0.24 0.00 0.00 0.00 0.00 36.38 33.64 2pnk s VAL 137 CO 0.80 0.35 0.88 0.77 0.00 0.00 0.00 175.10 177.90 2pnk h SER 138 N 8.06 0.16 -3.43 3.32 4.64 -1.10 -3.44 113.55 121.76 2pnk h SER 138 Ca -0.39 -0.24 -0.22 0.00 -0.47 0.00 0.00 61.79 60.47 2pnk h SER 138 Cb 1.14 -0.05 -0.30 0.00 -0.31 0.00 0.00 62.40 62.87 2pnk h SER 138 CO 0.60 1.20 -0.55 -1.81 -0.87 0.00 0.00 176.83 175.41 2pnk s ASP 139 N -6.62 -0.18 -0.14 4.97 1.01 -1.11 -4.75 116.67 109.85 2pnk s ASP 139 Ca -0.06 0.39 0.01 0.00 0.71 0.00 0.00 52.55 53.60 2pnk s ASP 139 Cb 0.08 0.29 -0.00 0.00 1.01 0.00 0.00 42.92 44.30 2pnk s ASP 139 CO 0.83 -0.15 -0.16 -0.69 0.21 0.00 0.00 175.17 175.22 2pnk s VAL 140 N 1.10 2.69 0.62 -1.27 1.01 0.27 -0.72 120.40 124.10 2pnk s VAL 140 Ca -0.08 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.16 2pnk s VAL 140 Cb -0.10 -2.13 0.09 0.00 0.00 0.00 0.00 36.38 34.24 2pnk s VAL 140 CO -0.06 0.52 0.86 -0.69 0.00 0.00 0.00 175.10 175.72 2pnk s VAL 141 N 0.67 2.34 -0.20 2.92 1.01 0.03 -0.37 120.40 126.81 2pnk s VAL 141 Ca -0.08 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 2pnk s VAL 141 Cb -0.16 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.69 2pnk s VAL 141 CO 0.02 0.00 0.03 -0.89 0.00 0.00 0.00 175.10 174.26 2pnk s THR 143 N -2.87 0.57 -0.25 3.92 2.01 -0.91 -1.64 115.64 116.47 2pnk s THR 143 Ca 0.62 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.98 2pnk s THR 143 Cb -0.07 -1.08 0.02 0.00 0.01 0.00 0.00 72.50 71.38 2pnk s THR 143 CO 0.41 -0.22 -0.03 0.20 -0.69 0.00 0.00 174.62 174.28 2pnk s ASN 144 N 1.84 4.47 -0.34 3.53 -0.87 0.09 -4.93 114.94 118.73 2pnk s ASN 144 Ca -0.01 -0.78 -0.05 0.00 -1.57 0.00 0.00 52.86 50.45 2pnk s ASN 144 Cb -0.17 -1.72 0.05 0.00 -0.02 0.00 0.00 41.25 39.40 2pnk s ASN 144 CO -0.09 -0.13 0.09 -0.62 -2.57 0.00 0.00 177.10 173.79 2pnk s ASP 145 N 1.38 5.20 0.00 -1.22 -1.08 -1.26 -0.29 116.67 119.40 2pnk s ASP 145 Ca 0.01 -1.31 0.15 0.00 -0.52 0.00 0.00 52.55 50.88 2pnk s ASP 145 Cb -0.16 -1.82 0.77 0.00 -1.46 0.00 0.00 42.92 40.24 2pnk s ASP 145 CO -0.03 -0.35 1.42 -0.81 0.52 0.00 0.00 175.17 175.92 2pnk n PRO 146 N 4.73 0.23 0.00 4.34 -0.04 -1.26 -1.89 135.00 141.11 2pnk n PRO 146 Ca -0.11 0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 2pnk n PRO 146 Cb 0.44 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.46 2pnk n PRO 146 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2pnk n PHE 147 N -1.27 0.00 -2.98 0.54 3.72 -1.26 -4.86 117.46 111.35 2pnk n PHE 147 Ca 0.07 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.04 2pnk n PHE 147 Cb 0.12 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 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 -2.64 6.42 0.35 4.37 -1.08 -0.79 -4.93 116.67 118.37 2pnk s ASP 148 Ca 0.17 -0.06 0.06 0.00 -0.52 0.00 0.00 52.55 52.19 2pnk s ASP 148 Cb 0.18 -2.38 0.73 0.00 -1.46 0.00 0.00 42.92 39.99 2pnk s ASP 148 CO 0.64 -0.88 1.92 0.44 0.52 0.00 0.00 175.17 177.82 2pnk h ASP 149 N 8.90 0.70 0.07 -0.34 3.32 -1.89 0.90 116.42 128.07 2pnk h ASP 149 Ca -0.25 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 2pnk h ASP 149 Cb 1.09 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 2pnk h ASP 149 CO 0.95 0.43 -0.10 0.78 -1.72 0.00 0.00 179.24 179.58 2pnk h ASN 150 N 0.78 0.07 0.03 6.45 2.35 -1.96 -3.21 115.58 120.09 2pnk h ASN 150 Ca 0.37 -0.01 -0.37 0.00 -0.55 0.00 0.00 56.30 55.74 2pnk h ASN 150 Cb 0.39 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 2pnk h ASN 150 CO -0.14 0.18 -2.08 1.21 -1.65 0.00 0.00 177.43 174.95 2pnk n GLU 151 N -4.38 0.64 -0.33 0.81 2.13 -0.59 -4.52 120.64 114.40 2pnk n GLU 151 Ca -0.02 0.32 0.16 0.00 0.66 0.00 0.00 57.16 58.28 2pnk n GLU 151 Cb 0.20 -1.61 0.36 0.00 0.27 0.00 0.00 31.44 30.66 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 -0.52 0.47 -0.28 5.31 2.43 -0.91 -1.54 114.38 119.34 2pnk h ARG 152 Ca -0.52 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.60 2pnk h ARG 152 Cb 1.70 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.13 2pnk h ARG 152 CO -0.18 0.31 0.08 -0.84 -1.51 0.00 0.00 179.97 177.84 2pnk h ILE 153 N 0.48 1.13 -0.52 1.20 3.07 -1.78 -0.44 117.51 120.65 2pnk h ILE 153 Ca 0.62 -0.43 -0.00 0.00 1.55 0.00 0.00 64.86 66.59 2pnk h ILE 153 Cb 1.20 0.83 -0.03 0.00 -0.27 0.00 0.00 36.82 38.55 2pnk h ILE 153 CO -0.51 0.16 0.31 0.28 -1.05 0.00 0.00 178.15 177.34 2pnk h SER 154 N 0.40 0.63 -0.37 2.16 0.02 -1.54 -0.70 113.55 114.14 2pnk h SER 154 Ca 0.10 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 2pnk h SER 154 Cb 0.13 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2pnk h SER 154 CO -0.01 0.51 -0.10 -0.50 -1.14 0.00 0.00 176.83 175.59 2pnk h TRP 155 N 0.70 0.81 -0.16 3.45 4.06 -1.41 -2.01 115.95 121.39 2pnk h TRP 155 Ca 0.19 -0.18 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 2pnk h TRP 155 Cb -0.01 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 27.94 2pnk h TRP 155 CO -0.03 0.87 -0.10 -0.07 -3.56 0.00 0.00 178.44 175.56 2pnk h LEU 156 N 0.52 0.23 -0.69 -4.49 3.38 -0.99 -1.87 115.31 111.40 2pnk h LEU 156 Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2pnk h LEU 156 Cb 0.61 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2pnk h LEU 156 CO 0.04 0.36 0.00 -0.62 0.09 0.00 0.00 178.44 178.31 2pnk n GLU 157 N -4.30 1.41 -0.92 1.13 -0.58 -0.28 -4.90 120.64 112.20 2pnk n GLU 157 Ca -0.01 -0.56 0.00 0.00 -0.42 0.00 0.00 57.16 56.18 2pnk n GLU 157 Cb 0.25 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 2pnk n GLU 157 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pnk n GLY 158 N 0.65 0.64 3.77 0.62 0.00 -0.70 -5.00 105.19 105.17 2pnk n GLY 158 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.08 4.38 0.04 1.61 1.02 -0.77 -5.03 119.74 120.92 2pnk s LYS 159 Ca 0.00 2.01 0.07 0.00 0.02 0.00 0.00 55.97 58.07 2pnk s LYS 159 Cb 0.00 -3.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 2pnk s LYS 159 CO 0.00 -0.09 -0.18 -0.65 -0.92 0.00 0.00 175.35 173.51 2pnk s GLN 160 N -1.78 2.07 0.65 1.68 -1.52 -1.26 -4.57 119.66 114.93 2pnk s GLN 160 Ca 0.49 -0.98 -0.16 0.00 -1.95 0.00 0.00 55.36 52.76 2pnk s GLN 160 Cb -0.36 -2.19 -0.00 0.00 -0.22 0.00 0.00 33.01 30.24 2pnk s GLN 160 CO 0.46 0.54 1.16 -1.25 -0.25 0.00 0.00 175.29 175.95 2pnk s PRO 161 N -1.47 2.70 0.38 2.91 0.04 -1.26 -4.98 135.00 133.32 2pnk s PRO 161 Ca 0.15 1.61 -0.25 0.00 0.04 0.00 0.00 61.00 62.55 2pnk s PRO 161 Cb -0.11 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 2pnk s PRO 161 CO 0.06 -1.37 0.91 -3.47 0.04 0.00 0.00 177.00 173.17 2pnk n ASP 162 N -2.21 0.82 0.14 6.66 -0.08 -1.26 -4.86 116.55 115.76 2pnk n ASP 162 Ca 0.12 1.06 0.10 0.00 -1.51 0.00 0.00 54.79 54.56 2pnk n ASP 162 Cb 0.51 -1.28 0.50 0.00 2.34 0.00 0.00 41.12 43.19 2pnk n ASP 162 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2pnk n SER 163 N 0.89 0.51 0.05 1.67 3.41 -1.26 -1.01 113.62 117.87 2pnk n SER 163 Ca 0.10 0.71 0.14 0.00 -0.26 0.00 0.00 58.87 59.55 2pnk n SER 163 Cb 0.37 -0.79 0.52 0.00 -0.26 0.00 0.00 64.21 64.05 2pnk n SER 163 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pnk n ARG 164 N -2.16 0.12 -4.72 4.33 1.74 -1.26 -4.63 116.66 110.08 2pnk n ARG 164 Ca -0.00 0.09 -0.33 0.00 -0.77 0.00 0.00 57.85 56.84 2pnk n ARG 164 Cb 0.08 -1.63 -0.13 0.00 -1.02 0.00 0.00 32.46 29.75 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 -3.05 2.84 0.07 -1.55 0.40 -0.18 -0.56 117.98 115.96 2pnk s PHE 165 Ca 0.12 -0.33 0.09 0.00 -0.60 0.00 0.00 56.93 56.21 2pnk s PHE 165 Cb 0.16 -1.78 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 2pnk s PHE 165 CO 0.56 0.03 -0.23 -1.01 0.70 0.00 0.00 175.22 175.27 2pnk s HIS 166 N -0.15 2.00 0.37 0.36 3.76 0.50 -4.67 115.29 117.46 2pnk s HIS 166 Ca 0.00 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.36 2pnk s HIS 166 Cb -0.13 -1.15 -0.09 0.00 1.11 0.00 0.00 32.58 32.32 2pnk s HIS 166 CO 0.03 0.17 0.80 0.00 -0.85 0.00 0.00 174.74 174.89 2pnk s ALA 167 N -0.94 3.25 -0.01 -1.40 0.00 -1.26 -4.39 121.76 117.01 2pnk s ALA 167 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.16 2pnk s ALA 167 Cb -0.10 -2.87 0.01 0.00 0.00 0.00 0.00 23.12 20.17 2pnk s ALA 167 CO 0.03 0.22 0.00 0.00 0.00 0.00 0.00 175.76 176.02 2pnk s ALA 168 N -2.10 0.09 -0.36 0.00 0.00 -1.26 -1.07 121.76 117.06 2pnk s ALA 168 Ca 0.56 0.08 -0.22 0.00 0.00 0.00 0.00 51.96 52.38 2pnk s ALA 168 Cb -0.10 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.92 2pnk s ALA 168 CO 0.19 -0.03 0.72 -1.17 0.00 0.00 0.00 175.76 175.47 2pnk s LEU 169 N 0.38 4.18 -0.19 0.00 2.96 -0.59 -0.73 118.68 124.68 2pnk s LEU 169 Ca -0.03 0.28 -0.21 0.00 -0.22 0.00 0.00 54.13 53.94 2pnk s LEU 169 Cb -0.05 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.69 2pnk s LEU 169 CO -0.01 -0.68 0.65 -0.60 -1.32 0.00 0.00 176.35 174.39 2pnk s ARG 170 N 2.94 4.22 0.00 1.98 3.52 0.61 -0.28 118.95 131.94 2pnk s ARG 170 Ca 0.29 0.65 0.05 0.00 -0.13 0.00 0.00 55.73 56.59 2pnk s ARG 170 Cb -0.14 -3.58 0.13 0.00 -1.56 0.00 0.00 34.95 29.81 2pnk s ARG 170 CO 0.16 -0.24 1.10 1.28 -0.81 0.00 0.00 175.30 176.79 2pnk n LEU 171 N 5.05 2.38 -0.23 -0.88 4.77 0.05 -4.36 117.00 123.77 2pnk n LEU 171 Ca -0.01 -1.98 0.03 0.00 -0.03 0.00 0.00 56.01 54.03 2pnk n LEU 171 Cb 0.50 -0.10 0.16 0.00 -2.33 0.00 0.00 43.42 41.64 2pnk n LEU 171 CO 0.44 0.59 0.98 0.44 -1.33 0.00 0.00 177.39 178.52 2pnk h ASP 172 N 0.88 0.19 -0.22 -1.43 5.19 -1.93 -1.26 116.42 117.84 2pnk h ASP 172 Ca 0.00 0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 2pnk h ASP 172 Cb 0.59 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 2pnk h ASP 172 CO 0.00 0.08 0.05 -0.65 -3.12 0.00 0.00 179.24 175.60 2pnk h PRO 173 N 0.38 0.45 -0.16 3.56 0.11 -1.95 0.12 132.00 134.51 2pnk h PRO 173 Ca 0.37 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.25 2pnk h PRO 173 Cb 0.55 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2pnk h PRO 173 CO -0.40 0.44 -0.52 1.25 -0.21 0.00 0.00 178.00 178.57 2pnk h LEU 174 N 0.44 0.73 0.07 2.35 5.85 -1.57 -2.24 115.31 120.93 2pnk h LEU 174 Ca 0.10 -0.60 -0.30 0.00 0.84 0.00 0.00 57.88 57.93 2pnk h LEU 174 Cb 0.22 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2pnk h LEU 174 CO 0.00 1.20 -1.57 -0.07 -0.34 0.00 0.00 178.44 177.66 2pnk h LEU 175 N 0.30 0.22 0.00 2.25 3.38 -1.24 -3.23 115.31 116.99 2pnk h LEU 175 Ca -0.02 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2pnk h LEU 175 Cb 1.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2pnk h LEU 175 CO 0.11 1.29 -0.98 0.59 0.09 0.00 0.00 178.44 179.54 2pnk n ASN 176 N -3.31 0.84 -2.38 -0.43 3.02 0.39 -3.62 115.26 109.77 2pnk n ASN 176 Ca -0.16 -0.72 -0.01 0.00 -0.03 0.00 0.00 54.58 53.66 2pnk n ASN 176 Cb 1.03 1.15 0.05 0.00 -0.61 0.00 0.00 39.78 41.40 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 -1.53 1.49 -0.32 3.52 1.02 -0.85 -4.92 120.64 119.05 2pnk n GLU 177 Ca 0.02 -3.21 0.06 0.00 -0.02 0.00 0.00 57.16 54.01 2pnk n GLU 177 Cb 0.30 -1.29 0.25 0.00 -0.02 0.00 0.00 31.44 30.68 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 2.14 1.05 -0.29 -0.32 3.20 -1.57 -0.80 116.97 120.38 2pnk h TYR 178 Ca -0.11 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.81 2pnk h TYR 178 Cb 1.43 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 2pnk h TYR 178 CO 0.46 0.50 0.20 1.49 -1.64 0.00 0.00 178.16 179.17 2pnk h GLU 179 N 0.99 0.31 0.05 1.82 4.57 -1.90 0.28 114.58 120.70 2pnk h GLU 179 Ca 0.43 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 58.39 2pnk h GLU 179 Cb 0.33 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2pnk h GLU 179 CO -0.18 0.20 -1.03 1.96 -1.18 0.00 0.00 179.01 178.78 2pnk h GLN 180 N 0.32 0.11 0.00 1.92 7.50 -1.69 -3.40 115.11 119.86 2pnk h GLN 180 Ca 0.12 -0.19 0.00 0.00 0.50 0.00 0.00 58.65 59.08 2pnk h GLN 180 Cb 0.08 0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.68 2pnk h GLN 180 CO -0.02 1.09 0.00 1.79 -1.50 0.00 0.00 178.83 180.18 2pnk h THR 181 N -0.69 0.00 -0.89 -0.54 1.35 -0.81 -2.72 112.91 108.60 2pnk h THR 181 Ca -0.25 -0.74 0.28 0.00 -0.55 0.00 0.00 66.41 65.15 2pnk h THR 181 Cb 1.43 1.73 -0.16 0.00 -1.73 0.00 0.00 68.15 69.42 2pnk h THR 181 CO -0.04 0.00 0.13 1.17 -0.25 0.00 0.00 175.52 176.53 2pnk n LYS 182 N -3.05 -0.07 0.08 4.72 4.81 0.94 -1.38 118.16 124.22 2pnk n LYS 182 Ca 0.02 1.30 -0.08 0.00 -0.87 0.00 0.00 58.31 58.68 2pnk n LYS 182 Cb 0.41 -2.13 -0.05 0.00 0.02 0.00 0.00 35.03 33.28 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 0.19 -0.42 5.64 3.86 -1.74 -1.99 115.15 120.70 2pnk h HIS 183 Ca 0.59 -0.12 -0.12 0.00 -1.16 0.00 0.00 60.37 59.56 2pnk h HIS 183 Cb 1.32 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.76 2pnk h HIS 183 CO -0.35 0.99 -0.21 0.00 0.86 0.00 0.00 177.93 179.23 2pnk h ARG 184 N 0.06 0.88 -0.61 2.45 3.08 -1.44 -2.15 114.38 116.65 2pnk h ARG 184 Ca -0.04 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 59.64 2pnk h ARG 184 Cb 1.63 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.61 2pnk h ARG 184 CO 0.14 1.03 0.38 -0.07 -1.07 0.00 0.00 179.97 180.38 2pnk h LEU 185 N 0.70 0.63 -0.61 3.04 3.38 -1.08 -0.59 115.31 120.78 2pnk h LEU 185 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2pnk h LEU 185 Cb 0.77 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2pnk h LEU 185 CO 0.06 0.44 0.40 0.03 0.09 0.00 0.00 178.44 179.46 2pnk h ARG 186 N 0.76 0.81 -0.90 1.13 3.08 -1.26 0.29 114.38 118.28 2pnk h ARG 186 Ca 0.24 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.25 2pnk h ARG 186 Cb -0.00 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.82 2pnk h ARG 186 CO -0.09 0.55 0.60 0.22 -1.07 0.00 0.00 179.97 180.18 2pnk h ASP 187 N 0.83 1.03 0.13 7.04 3.58 -1.02 -1.17 116.42 126.85 2pnk h ASP 187 Ca 0.22 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2pnk h ASP 187 Cb -0.08 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.71 2pnk h ASP 187 CO -0.05 0.75 0.00 0.79 -2.88 0.00 0.00 179.24 177.85 2pnk n TRP 188 N -4.40 0.00 -0.13 0.28 8.01 -0.26 -4.86 117.44 116.08 2pnk n TRP 188 Ca 0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 2pnk n TRP 188 Cb 0.02 -0.10 0.00 0.00 -2.01 0.00 0.00 31.31 29.22 2pnk n TRP 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2pnk n GLY 189 N 0.32 0.84 3.50 6.99 0.00 -0.44 -5.05 105.19 111.35 2pnk n GLY 189 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2pnk n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pnk s TYR 190 N -2.07 3.03 -1.51 1.61 2.02 0.96 -4.95 117.35 116.44 2pnk s TYR 190 Ca 0.00 -0.15 -0.11 0.00 -0.37 0.00 0.00 57.07 56.44 2pnk s TYR 190 Cb 0.00 -3.47 0.00 0.00 -0.40 0.00 0.00 41.96 38.09 2pnk s TYR 190 CO 0.00 -0.96 2.52 1.63 -1.57 0.00 0.00 175.55 177.18 2pnk n LYS 191 N 6.38 3.39 -2.66 -0.62 5.02 -1.26 -2.99 118.16 125.43 2pnk n LYS 191 Ca -0.02 -2.56 -0.38 0.00 -2.02 0.00 0.00 58.31 53.32 2pnk n LYS 191 Cb 0.47 -3.01 -0.05 0.00 -0.02 0.00 0.00 35.03 32.42 2pnk n LYS 191 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2pnk s VAL 192 N 2.25 3.92 0.54 -0.18 -7.23 -1.26 -4.52 120.40 113.92 2pnk s VAL 192 Ca 0.57 1.71 0.04 0.00 -1.81 0.00 0.00 61.98 62.48 2pnk s VAL 192 Cb 0.16 -4.00 0.04 0.00 0.56 0.00 0.00 36.38 33.13 2pnk s VAL 192 CO -0.07 0.24 0.75 0.20 -0.31 0.00 0.00 175.10 175.91 2pnk s ASN 193 N -1.34 5.26 0.25 4.85 0.01 -1.26 -4.96 114.94 117.74 2pnk s ASN 193 Ca 0.48 -0.23 -0.02 0.00 -0.71 0.00 0.00 52.86 52.38 2pnk s ASN 193 Cb -0.24 -0.62 0.29 0.00 0.41 0.00 0.00 41.25 41.09 2pnk s ASN 193 CO 0.30 -1.14 1.72 0.44 -1.51 0.00 0.00 177.10 176.91 2pnk h ASP 194 N 0.16 0.76 -3.63 -1.22 3.32 -2.03 -3.43 116.42 110.35 2pnk h ASP 194 Ca -0.40 -0.21 -0.51 0.00 0.02 0.00 0.00 57.03 55.93 2pnk h ASP 194 Cb 1.29 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 2pnk h ASP 194 CO 0.48 0.87 0.30 -0.70 -1.72 0.00 0.00 179.24 178.46 2pnk s GLU 195 N -4.85 4.73 -1.08 3.56 2.12 -1.26 -4.99 118.70 116.92 2pnk s GLU 195 Ca -0.09 1.37 -0.21 0.00 0.36 0.00 0.00 54.97 56.39 2pnk s GLU 195 Cb 0.14 -3.30 0.06 0.00 0.26 0.00 0.00 34.13 31.29 2pnk s GLU 195 CO 0.82 0.45 1.49 -0.46 -0.54 0.00 0.00 175.26 177.02 2pnk s TRP 196 N -0.84 2.65 0.25 5.30 -0.11 -1.26 -4.66 118.94 120.27 2pnk s TRP 196 Ca 0.41 -1.09 0.01 0.00 1.22 0.00 0.00 56.10 56.65 2pnk s TRP 196 Cb -0.24 -4.67 -0.00 0.00 -1.50 0.00 0.00 33.47 27.05 2pnk s TRP 196 CO 0.29 -1.86 0.03 0.27 -4.62 0.00 0.00 176.95 171.06 2pnk n ASN 197 N 8.53 2.18 -0.22 5.86 0.23 -1.26 -4.97 115.26 125.61 2pnk n ASN 197 Ca 0.36 -2.15 0.07 0.00 -0.53 0.00 0.00 54.58 52.32 2pnk n ASN 197 Cb 0.50 0.31 0.33 0.00 -2.08 0.00 0.00 39.78 38.83 2pnk n ASN 197 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2pnk h GLU 198 N 0.00 0.78 -0.14 -3.83 -0.00 -1.99 -0.15 114.58 109.25 2pnk h GLU 198 Ca -0.20 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.36 59.10 2pnk h GLU 198 Cb 0.65 -0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 29.22 2pnk h GLU 198 CO 0.33 0.52 0.06 0.78 -0.00 0.00 0.00 179.01 180.69 2pnk h GLY 199 N 0.80 0.22 1.00 1.06 0.00 -1.94 0.04 103.07 104.26 2pnk h GLY 199 Ca 0.34 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 2pnk h GLY 199 CO -0.12 0.11 0.43 1.76 0.00 0.00 0.00 176.54 178.72 2pnk h SER 200 N 0.08 0.86 -0.27 0.19 0.02 -1.58 -1.36 113.55 111.49 2pnk h SER 200 Ca 0.05 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2pnk h SER 200 Cb 0.16 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2pnk h SER 200 CO -0.00 0.67 0.10 0.40 -1.14 0.00 0.00 176.83 176.86 2pnk h ILE 201 N 0.97 1.18 -0.33 3.27 2.04 -0.90 -2.12 117.51 121.62 2pnk h ILE 201 Ca 0.25 -0.55 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 2pnk h ILE 201 Cb -0.02 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2pnk h ILE 201 CO -0.05 0.18 -0.19 1.56 0.00 0.00 0.00 178.15 179.65 2pnk h GLN 202 N 0.28 0.61 -0.16 2.37 1.08 -0.77 -2.30 115.11 116.21 2pnk h GLN 202 Ca 0.09 -0.22 -0.17 0.00 -1.45 0.00 0.00 58.65 56.90 2pnk h GLN 202 Cb 0.19 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2pnk h GLN 202 CO -0.01 0.76 -0.61 0.93 -0.95 0.00 0.00 178.83 178.96 2pnk h GLU 203 N 0.54 0.54 -0.43 1.46 4.39 -1.14 -1.54 114.58 118.41 2pnk h GLU 203 Ca 0.09 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 59.32 2pnk h GLU 203 Cb 0.64 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 2pnk h GLU 203 CO 0.04 0.99 -0.12 0.28 -1.16 0.00 0.00 179.01 179.05 2pnk h VAL 204 N 0.40 1.26 -0.82 3.13 2.07 -1.30 -1.23 116.25 119.76 2pnk h VAL 204 Ca -0.01 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 2pnk h VAL 204 Cb 1.17 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2pnk h VAL 204 CO 0.11 0.40 0.48 0.11 0.02 0.00 0.00 177.57 178.70 2pnk h LYS 205 N 0.71 1.13 -0.47 1.57 1.57 -1.29 -1.22 116.57 118.56 2pnk h LYS 205 Ca 0.12 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2pnk h LYS 205 Cb 0.60 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2pnk h LYS 205 CO 0.04 0.81 0.14 -0.09 -0.57 0.00 0.00 179.45 179.77 2pnk h ARG 206 N 1.13 0.74 -0.10 3.15 2.43 -0.95 0.67 114.38 121.46 2pnk h ARG 206 Ca 0.29 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 2pnk h ARG 206 Cb -0.02 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.37 2pnk h ARG 206 CO -0.05 0.71 -0.28 0.35 -1.51 0.00 0.00 179.97 179.19 2pnk h PHE 207 N 0.63 -0.76 -0.36 2.20 3.57 -0.99 0.12 116.94 121.36 2pnk h PHE 207 Ca 0.15 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.74 2pnk h PHE 207 Cb 0.29 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 2pnk h PHE 207 CO 0.02 -0.36 0.05 -0.07 -2.23 0.00 0.00 178.31 175.71 2pnk h LEU 208 N -0.37 -0.04 -0.64 0.59 3.38 -0.92 -2.35 115.31 114.96 2pnk h LEU 208 Ca 0.09 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2pnk h LEU 208 Cb 0.50 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2pnk h LEU 208 CO -0.31 0.01 0.12 0.74 0.09 0.00 0.00 178.44 179.10 2pnk h THR 209 N 0.16 1.26 -0.58 0.22 2.02 -0.63 0.40 112.91 115.77 2pnk h THR 209 Ca 0.17 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 2pnk h THR 209 Cb 0.21 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2pnk h THR 209 CO -0.25 0.37 0.34 0.44 0.37 0.00 0.00 175.52 176.79 2pnk h ASP 210 N 0.96 0.70 -0.04 4.18 3.32 -0.65 -0.25 116.42 124.65 2pnk h ASP 210 Ca 0.20 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 57.03 2pnk h ASP 210 Cb 0.41 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2pnk h ASP 210 CO 0.01 0.57 -0.47 -0.50 -1.72 0.00 0.00 179.24 177.12 2pnk h TRP 211 N 0.78 0.73 -0.44 4.55 4.06 -1.06 -1.75 115.95 122.81 2pnk h TRP 211 Ca 0.21 -0.23 0.03 0.00 2.06 0.00 0.00 58.89 60.95 2pnk h TRP 211 Cb 0.00 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 27.98 2pnk h TRP 211 CO -0.02 0.96 0.24 0.82 -3.56 0.00 0.00 178.44 176.87 2pnk h ILE 212 N 0.48 1.00 -0.82 1.49 2.04 -0.75 -2.62 117.51 118.33 2pnk h ILE 212 Ca 0.03 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2pnk h ILE 212 Cb 1.00 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 2pnk h ILE 212 CO 0.09 0.09 0.48 -0.33 0.00 0.00 0.00 178.15 178.48 2pnk h GLU 213 N 0.48 1.12 0.00 2.37 5.08 -0.84 -0.09 114.58 122.70 2pnk h GLU 213 Ca 0.18 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2pnk h GLU 213 Cb 0.06 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2pnk h GLU 213 CO -0.11 0.80 0.00 -2.13 -1.00 0.00 0.00 179.01 176.57 2pnk n ARG 214 N -4.44 0.60 0.00 2.33 3.00 -0.68 -5.03 116.66 112.44 2pnk n ARG 214 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 2pnk n ARG 214 Cb 0.07 -1.18 0.00 0.00 0.00 0.00 0.00 32.46 31.35 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 -0.68 0.00 -4.77 6.15 2.03 -0.05 -5.10 116.55 114.14 2pnk n ASP 216 Ca 0.05 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.98 2pnk n ASP 216 Cb 0.02 0.00 -0.03 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 4.18 0.22 -0.67 0.04 -1.26 -4.54 135.00 132.97 2pnk s PRO 217 Ca 0.00 1.80 0.11 0.00 0.04 0.00 0.00 61.00 62.95 2pnk s PRO 217 Cb 0.00 -2.76 0.06 0.00 0.04 0.00 0.00 34.50 31.84 2pnk s PRO 217 CO 0.00 -0.20 1.43 -0.39 0.04 0.00 0.00 177.00 177.88 2pnk h VAL 218 N 2.46 1.31 0.00 -0.36 -1.51 -1.48 -3.48 116.25 113.19 2pnk h VAL 218 Ca -0.48 -2.65 0.00 0.00 -1.23 0.00 0.00 66.70 62.34 2pnk h VAL 218 Cb 1.23 2.51 0.00 0.00 -2.13 0.00 0.00 31.29 32.90 2pnk h VAL 218 CO 0.63 0.70 0.00 0.00 -1.23 0.00 0.00 177.57 177.68 2pnk n TYR 219 N -3.39 0.00 0.00 5.19 0.18 -1.26 -4.31 117.16 113.57 2pnk n TYR 219 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2pnk n TYR 219 Cb 0.78 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.74 2pnk n TYR 219 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2pnk n ALA 221 N -3.00 0.00 -3.11 -3.48 0.00 0.62 -1.54 120.51 110.00 2pnk n ALA 221 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2pnk n ALA 221 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2pnk n ALA 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pnk s VAL 222 N -1.94 0.01 -0.08 0.00 0.11 -0.16 -0.77 120.40 117.57 2pnk s VAL 222 Ca 0.00 -0.09 -0.13 0.00 -2.93 0.00 0.00 61.98 58.83 2pnk s VAL 222 Cb 0.00 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 2pnk s VAL 222 CO 0.00 -0.05 0.31 -0.44 -3.33 0.00 0.00 175.10 171.59 2pnk s SER 223 N -0.10 6.59 0.06 3.54 0.01 -1.26 -4.77 113.70 117.76 2pnk s SER 223 Ca -0.02 0.70 0.03 0.00 1.31 0.00 0.00 55.95 57.97 2pnk s SER 223 Cb -0.02 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2pnk s SER 223 CO 0.01 0.27 -0.10 -0.76 0.41 0.00 0.00 173.24 173.06 2pnk s LEU 224 N -0.54 2.27 0.70 2.44 1.43 -1.26 -4.96 118.68 118.76 2pnk s LEU 224 Ca 0.19 -0.59 -0.09 0.00 -1.03 0.00 0.00 54.13 52.61 2pnk s LEU 224 Cb -0.14 -0.30 0.04 0.00 0.03 0.00 0.00 46.19 45.81 2pnk s LEU 224 CO 0.08 -0.16 1.05 -2.16 0.23 0.00 0.00 176.35 175.38 2pnk s PRO 225 N -1.72 2.56 0.63 1.29 0.04 -1.26 -0.73 135.00 135.81 2pnk s PRO 225 Ca -0.06 0.13 0.40 0.00 0.04 0.00 0.00 61.00 61.51 2pnk s PRO 225 Cb -0.09 -2.10 2.09 0.00 0.04 0.00 0.00 34.50 34.43 2pnk s PRO 225 CO 0.01 -1.10 2.26 -1.35 0.04 0.00 0.00 177.00 176.86 2pnk h PRO 226 N -0.60 0.00 -0.17 0.56 0.11 -1.77 -1.23 132.00 128.90 2pnk h PRO 226 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2pnk h PRO 226 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2pnk h PRO 226 CO 0.63 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.68 2pnk n THR 227 N -3.21 0.23 -1.67 -1.15 -2.24 -1.26 -3.90 114.28 101.07 2pnk n THR 227 Ca -0.02 -0.25 -0.48 0.00 -2.27 0.00 0.00 64.05 61.03 2pnk n THR 227 Cb 0.13 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 2pnk n THR 227 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2pnk n PHE 228 N 0.02 2.23 -4.23 4.78 7.35 -0.46 -4.97 117.46 122.17 2pnk n PHE 228 Ca 0.09 0.18 -0.21 0.00 -0.76 0.00 0.00 57.45 56.75 2pnk n PHE 228 Cb 0.18 -2.58 -0.12 0.00 0.35 0.00 0.00 39.48 37.31 2pnk n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2pnk s SER 229 N 2.64 2.11 -0.21 -2.13 0.01 -1.26 -4.67 113.70 110.19 2pnk s SER 229 Ca 0.88 -0.68 -0.14 0.00 1.31 0.00 0.00 55.95 57.31 2pnk s SER 229 Cb -0.73 -0.09 0.06 0.00 0.21 0.00 0.00 66.02 65.47 2pnk s SER 229 CO 0.47 -0.03 0.52 0.12 0.41 0.00 0.00 173.24 174.74 2pnk s PHE 230 N -1.39 -0.73 0.84 2.43 2.19 -1.26 -4.46 117.98 115.59 2pnk s PHE 230 Ca 0.04 1.57 -0.11 0.00 0.33 0.00 0.00 56.93 58.76 2pnk s PHE 230 Cb -0.09 0.36 0.10 0.00 -1.31 0.00 0.00 43.02 42.08 2pnk s PHE 230 CO 0.03 -0.38 1.15 -2.14 1.83 0.00 0.00 175.22 175.72 2pnk s PRO 231 N 1.17 1.51 -0.22 10.12 0.02 -1.26 -4.21 135.00 142.13 2pnk s PRO 231 Ca -0.07 1.54 -0.15 0.00 0.02 0.00 0.00 61.00 62.34 2pnk s PRO 231 Cb -0.06 -1.78 0.06 0.00 0.02 0.00 0.00 34.50 32.74 2pnk s PRO 231 CO -0.11 -2.27 0.55 -2.00 -0.33 0.00 0.00 177.00 172.84 2pnk s GLU 232 N -4.51 0.58 -1.36 5.54 2.12 -1.26 -5.04 118.70 114.77 2pnk s GLU 232 Ca 0.68 0.93 -0.15 0.00 0.36 0.00 0.00 54.97 56.79 2pnk s GLU 232 Cb -0.23 0.13 0.08 0.00 0.26 0.00 0.00 34.13 34.37 2pnk s GLU 232 CO 0.54 -0.13 1.94 0.39 -0.54 0.00 0.00 175.26 177.46 2pnk n GLU 233 N 3.83 3.13 -4.26 4.30 -0.58 -1.26 -3.82 120.64 121.98 2pnk n GLU 233 Ca -0.19 -3.08 -0.14 0.00 -0.42 0.00 0.00 57.16 53.32 2pnk n GLU 233 Cb 0.57 -3.28 -0.10 0.00 -0.57 0.00 0.00 31.44 28.06 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 3.15 0.65 0.19 1.62 1.04 -1.26 -5.01 113.70 114.08 2pnk s SER 234 Ca 0.48 -1.40 -0.12 0.00 0.48 0.00 0.00 55.95 55.39 2pnk s SER 234 Cb 0.08 0.29 0.18 0.00 0.10 0.00 0.00 66.02 66.67 2pnk s SER 234 CO -0.01 -0.80 1.76 0.78 0.98 0.00 0.00 173.24 175.96 2pnk h ASN 235 N 2.50 0.27 -0.41 7.02 2.35 -1.91 -1.29 115.58 124.12 2pnk h ASN 235 Ca -0.37 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.44 2pnk h ASN 235 Cb 1.25 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.60 2pnk h ASN 235 CO 0.56 0.19 0.26 -0.09 -1.65 0.00 0.00 177.43 176.69 2pnk h ARG 236 N 0.43 0.50 -0.43 0.81 2.43 -1.91 -0.93 114.38 115.28 2pnk h ARG 236 Ca 0.25 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.24 2pnk h ARG 236 Cb 0.23 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2pnk h ARG 236 CO -0.22 0.33 -0.31 0.78 -1.51 0.00 0.00 179.97 179.05 2pnk h GLY 237 N 0.52 1.04 1.45 2.80 0.00 -1.66 -1.19 103.07 106.03 2pnk h GLY 237 Ca 0.16 -1.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.36 2pnk h GLY 237 CO -0.06 0.90 -0.39 3.21 0.00 0.00 0.00 176.54 180.21 2pnk h ARG 238 N 0.80 0.61 -0.44 4.80 3.08 -1.13 -1.30 114.38 120.80 2pnk h ARG 238 Ca 0.08 -0.31 -0.14 0.00 0.07 0.00 0.00 59.98 59.69 2pnk h ARG 238 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 2pnk h ARG 238 CO 0.08 0.90 -0.26 0.82 -1.07 0.00 0.00 179.97 180.44 2pnk h ILE 239 N 0.51 1.27 0.02 2.04 2.04 -0.94 0.07 117.51 122.51 2pnk h ILE 239 Ca 0.05 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 2pnk h ILE 239 Cb 0.89 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2pnk h ILE 239 CO 0.08 0.49 -0.01 0.40 0.00 0.00 0.00 178.15 179.10 2pnk h ILE 240 N 0.79 1.16 -0.06 -0.67 2.04 -1.20 -0.11 117.51 119.45 2pnk h ILE 240 Ca 0.09 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 2pnk h ILE 240 Cb 0.85 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2pnk h ILE 240 CO 0.07 0.14 0.03 -0.09 0.00 0.00 0.00 178.15 178.30 2pnk h ARG 241 N -0.26 0.09 0.00 2.37 2.43 -1.18 -1.86 114.38 115.97 2pnk h ARG 241 Ca -0.00 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 2pnk h ARG 241 Cb 0.25 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2pnk h ARG 241 CO 0.00 0.18 -1.68 -0.25 -1.51 0.00 0.00 179.97 176.71 2pnk n ASP 242 N -4.98 0.51 0.02 -3.80 8.00 0.00 -4.51 116.55 111.79 2pnk n ASP 242 Ca -0.06 0.22 -0.02 0.00 0.71 0.00 0.00 54.79 55.64 2pnk n ASP 242 Cb 0.09 0.75 -0.01 0.00 -0.02 0.00 0.00 41.12 41.93 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 -0.12 0.04 -0.07 0.00 6.46 -1.07 -2.63 115.31 117.91 2pnk h LEU 244 Ca -0.03 -0.52 -0.00 0.00 -0.12 0.00 0.00 57.88 57.21 2pnk h LEU 244 Cb 0.46 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 2pnk h LEU 244 CO -0.02 0.55 0.03 -0.07 -0.62 0.00 0.00 178.44 178.31 2pnk h LEU 245 N -0.47 0.10 -0.65 2.25 3.38 -1.57 0.15 115.31 118.49 2pnk h LEU 245 Ca 0.00 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.89 2pnk h LEU 245 Cb 0.54 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 2pnk h LEU 245 CO 0.00 0.20 0.36 -0.65 0.09 0.00 0.00 178.44 178.44 2pnk h PRO 246 N -0.02 0.64 -0.46 1.13 0.11 -1.79 -0.06 132.00 131.56 2pnk h PRO 246 Ca 0.02 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 2pnk h PRO 246 Cb 0.14 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 2pnk h PRO 246 CO -0.00 0.42 0.07 0.28 -0.21 0.00 0.00 178.00 178.56 2pnk h VAL 247 N 0.66 1.25 -0.53 3.15 2.07 -1.38 -0.76 116.25 120.71 2pnk h VAL 247 Ca 0.29 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.92 2pnk h VAL 247 Cb 0.18 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2pnk h VAL 247 CO -0.18 0.32 0.30 0.00 0.02 0.00 0.00 177.57 178.04 2pnk h ALA 248 N 0.95 0.69 -0.27 1.67 0.00 -0.42 -2.37 119.26 119.50 2pnk h ALA 248 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2pnk h ALA 248 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2pnk h ALA 248 CO 0.01 -0.01 0.07 1.49 0.00 0.00 0.00 179.25 180.81 2pnk h GLU 249 N 0.59 0.43 -0.94 0.00 4.81 -0.86 0.09 114.58 118.71 2pnk h GLU 249 Ca 0.22 -0.10 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 2pnk h GLU 249 Cb 0.07 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 2pnk h GLU 249 CO -0.12 0.52 0.61 -0.22 -0.73 0.00 0.00 179.01 179.07 2pnk h LYS 250 N 0.27 1.06 -0.07 1.92 3.64 -0.89 -2.41 116.57 120.09 2pnk h LYS 250 Ca 0.09 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2pnk h LYS 250 Cb 0.28 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2pnk h LYS 250 CO 0.00 0.70 0.00 0.72 -2.27 0.00 0.00 179.45 178.60 2pnk n HIS 251 N -4.49 0.06 -3.80 1.91 8.25 -0.91 -4.98 115.22 111.26 2pnk n HIS 251 Ca 0.14 -0.03 -0.24 0.00 -0.26 0.00 0.00 57.72 57.33 2pnk n HIS 251 Cb 0.18 0.00 0.02 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 0.99 -1.60 -4.45 0.41 5.15 -0.14 -4.99 115.26 110.63 2pnk n ASN 252 Ca 0.16 -0.85 -0.35 0.00 -0.60 0.00 0.00 54.58 52.94 2pnk n ASN 252 Cb 0.52 -3.80 -0.12 0.00 -0.53 0.00 0.00 39.78 35.84 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 -3.66 3.89 0.62 -1.44 1.01 -0.28 -4.87 121.20 116.48 2pnk s ILE 253 Ca 0.12 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.25 2pnk s ILE 253 Cb -0.06 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 2pnk s ILE 253 CO 0.83 0.45 1.29 -2.84 0.00 0.00 0.00 174.94 174.67 2pnk s PRO 254 N 0.83 2.71 -0.28 2.79 0.02 -1.26 -4.57 135.00 135.25 2pnk s PRO 254 Ca 0.00 2.04 -0.10 0.00 0.02 0.00 0.00 61.00 62.97 2pnk s PRO 254 Cb -0.14 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 2pnk s PRO 254 CO 0.02 -1.47 0.14 0.12 -0.33 0.00 0.00 177.00 175.49 2pnk s PHE 255 N -1.42 3.16 0.30 6.54 5.36 -0.30 -4.55 117.98 127.06 2pnk s PHE 255 Ca 0.80 -0.26 0.06 0.00 -0.96 0.00 0.00 56.93 56.57 2pnk s PHE 255 Cb -0.37 -2.33 -0.02 0.00 -0.34 0.00 0.00 43.02 39.96 2pnk s PHE 255 CO 0.39 -0.31 0.43 0.00 -1.46 0.00 0.00 175.22 174.27 2pnk s ALA 256 N 1.67 4.11 -0.30 11.12 0.00 -1.26 -1.34 121.76 135.77 2pnk s ALA 256 Ca 0.06 -1.36 -0.21 0.00 0.00 0.00 0.00 51.96 50.45 2pnk s ALA 256 Cb -0.16 -1.71 0.19 0.00 0.00 0.00 0.00 23.12 21.44 2pnk s ALA 256 CO 0.07 0.07 1.29 0.42 0.00 0.00 0.00 175.76 177.62 2pnk s ILE 259 N -2.10 0.00 0.00 0.00 1.01 -0.48 -0.99 121.20 118.64 2pnk s ILE 259 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.06 2pnk s ILE 259 Cb -0.09 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.38 2pnk s ILE 259 CO 0.30 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.85 2pnk n GLY 260 N 2.36 0.74 3.71 6.18 0.00 0.09 -0.99 105.19 117.28 2pnk n GLY 260 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.59 5.09 -0.40 1.61 0.11 -1.07 -1.07 120.40 123.08 2pnk s VAL 261 Ca 0.00 1.25 -0.12 0.00 -2.93 0.00 0.00 61.98 60.17 2pnk s VAL 261 Cb 0.00 -3.95 0.04 0.00 -1.53 0.00 0.00 36.38 30.93 2pnk s VAL 261 CO 0.00 0.26 0.26 -0.75 -3.33 0.00 0.00 175.10 171.54 2pnk s LYS 262 N 0.88 2.85 0.20 1.54 2.20 -0.01 -4.08 119.74 123.33 2pnk s LYS 262 Ca 0.32 -1.15 -0.30 0.00 -0.36 0.00 0.00 55.97 54.49 2pnk s LYS 262 Cb -0.17 -3.86 -0.08 0.00 -1.51 0.00 0.00 37.83 32.22 2pnk s LYS 262 CO 0.14 -0.79 1.03 0.15 -0.36 0.00 0.00 175.35 175.53 2pnk s LYS 263 N 1.58 4.69 -1.20 4.03 -0.14 -1.26 -0.44 119.74 127.01 2pnk s LYS 263 Ca 0.03 1.62 -0.23 0.00 -1.36 0.00 0.00 55.97 56.03 2pnk s LYS 263 Cb -0.20 -3.28 0.01 0.00 -1.68 0.00 0.00 37.83 32.68 2pnk s LYS 263 CO 0.07 0.25 0.71 0.54 -0.76 0.00 0.00 175.35 176.16 2pnk n ARG 264 N 1.99 -1.05 0.21 1.68 5.12 -1.22 -4.89 116.66 118.49 2pnk n ARG 264 Ca 0.01 0.31 0.08 0.00 -1.93 0.00 0.00 57.85 56.32 2pnk n ARG 264 Cb 0.47 -3.60 0.40 0.00 -1.16 0.00 0.00 32.46 28.57 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 -2.14 0.65 -2.70 1.55 -1.51 -1.14 -3.35 116.25 107.60 2pnk h VAL 265 Ca -0.68 -1.27 -0.60 0.00 -1.23 0.00 0.00 66.70 62.92 2pnk h VAL 265 Cb 1.38 1.84 -0.40 0.00 -2.13 0.00 0.00 31.29 31.97 2pnk h VAL 265 CO 0.51 0.27 -0.76 1.57 -1.23 0.00 0.00 177.57 177.93 2pnk n HIS 266 N -3.42 1.49 -0.28 5.19 -0.00 -0.90 -5.02 115.22 112.28 2pnk n HIS 266 Ca 0.00 -3.88 0.09 0.00 -0.00 0.00 0.00 57.72 53.93 2pnk n HIS 266 Cb 0.46 -0.26 0.22 0.00 -0.00 0.00 0.00 29.99 30.41 2pnk n HIS 266 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2pnk h PRO 267 N 5.34 0.17 -0.26 1.57 0.11 -1.83 -0.88 132.00 136.22 2pnk h PRO 267 Ca 0.20 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.37 2pnk h PRO 267 Cb 0.81 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 2pnk h PRO 267 CO 0.58 0.11 0.35 0.00 -0.21 0.00 0.00 178.00 178.83 2pnk h ALA 268 N 1.73 1.85 -0.00 -0.75 0.00 -1.96 -0.74 119.26 119.39 2pnk h ALA 268 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2pnk h ALA 268 Cb 0.91 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2pnk h ALA 268 CO -0.65 -0.48 -0.06 1.28 0.00 0.00 0.00 179.25 179.35 2pnk n LEU 269 N -3.56 0.43 0.00 0.00 4.77 -0.33 -4.96 117.00 113.35 2pnk n LEU 269 Ca 0.04 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2pnk n LEU 269 Cb 0.48 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2pnk n LEU 269 CO 0.24 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2pnk n GLY 270 N 1.20 3.20 0.34 -0.72 0.00 -0.29 -1.37 105.19 107.56 2pnk n GLY 270 Ca 0.17 -0.21 0.19 0.00 0.00 0.00 0.00 46.02 46.17 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 1.93 0.00 -0.11 1.61 3.32 -1.95 0.34 116.42 121.56 2pnk h ASP 271 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pnk h ASP 271 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pnk h ASP 271 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2pnk n ALA 272 N -2.10 2.52 -0.32 3.45 0.00 -0.47 -4.30 120.51 119.28 2pnk n ALA 272 Ca -0.01 -0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.27 2pnk n ALA 272 Cb 0.24 -1.08 0.27 0.00 0.00 0.00 0.00 19.45 18.89 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 0.80 2.61 3.85 0.00 0.00 0.11 -4.87 105.19 107.70 2pnk n GLY 273 Ca 0.09 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 2pnk n GLY 273 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pnk s ASP 274 N -1.00 6.75 0.08 1.61 1.01 -1.26 -0.79 116.67 123.06 2pnk s ASP 274 Ca 0.41 1.02 0.00 0.00 0.71 0.00 0.00 52.55 54.69 2pnk s ASP 274 Cb 0.22 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.88 2pnk s ASP 274 CO 0.27 0.03 0.00 0.33 0.21 0.00 0.00 175.17 176.02 2pnk n PHE 275 N 0.44 0.09 -4.11 4.23 7.35 0.42 -4.91 117.46 120.97 2pnk n PHE 275 Ca -0.03 -0.39 -0.14 0.00 -0.76 0.00 0.00 57.45 56.13 2pnk n PHE 275 Cb 0.52 -0.05 -0.12 0.00 0.35 0.00 0.00 39.48 40.18 2pnk n PHE 275 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2pnk s VAL 276 N -1.24 0.61 0.04 -2.13 0.11 -1.26 -0.83 120.40 115.71 2pnk s VAL 276 Ca 0.00 -0.96 -0.09 0.00 -2.93 0.00 0.00 61.98 58.00 2pnk s VAL 276 Cb -0.00 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 2pnk s VAL 276 CO 0.00 -0.26 0.19 -0.83 -3.33 0.00 0.00 175.10 170.87 2pnk s GLY 277 N -1.33 0.04 0.16 6.54 0.00 -0.23 -4.83 107.32 107.67 2pnk s GLY 277 Ca -0.07 -0.32 -0.30 0.00 0.00 0.00 0.00 44.72 44.04 2pnk s GLY 277 CO 0.01 -0.49 1.25 1.25 0.00 0.00 0.00 173.10 175.11 2pnk s LYS 278 N -2.68 4.44 0.17 2.90 2.20 -1.26 -4.51 119.74 120.99 2pnk s LYS 278 Ca -0.04 1.93 0.04 0.00 -0.36 0.00 0.00 55.97 57.54 2pnk s LYS 278 Cb -0.01 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 2pnk s LYS 278 CO -0.05 -0.19 0.20 0.00 -0.36 0.00 0.00 175.35 174.95 2pnk s ALA 279 N 0.26 3.73 1.00 3.13 0.00 -1.26 -4.80 121.76 123.82 2pnk s ALA 279 Ca 0.56 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2pnk s ALA 279 Cb -0.34 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.26 2pnk s ALA 279 CO 0.35 0.49 0.00 0.45 0.00 0.00 0.00 175.76 177.05 2pnk n SER 280 N -0.51 0.00 0.00 0.00 2.88 -1.25 -4.97 113.62 109.77 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 -0.21 -3.46 9.92 -1.26 -4.73 116.55 116.81 2pnk n ASP 282 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 2pnk n ASP 282 Cb 0.00 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 2pnk n ASP 282 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2pnk h GLY 283 N 0.00 0.92 0.96 0.44 0.00 -1.83 -1.38 103.07 102.18 2pnk h GLY 283 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 2pnk h GLY 283 CO 0.00 0.45 -0.28 -2.08 0.00 0.00 0.00 176.54 174.63 2pnk h VAL 284 N 0.80 1.30 -0.51 4.60 2.07 -1.87 -2.11 116.25 120.54 2pnk h VAL 284 Ca 0.20 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.31 2pnk h VAL 284 Cb 0.16 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2pnk h VAL 284 CO -0.02 0.46 0.26 -0.08 0.02 0.00 0.00 177.57 178.21 2pnk h GLU 285 N 0.42 0.49 -0.06 1.57 4.81 -1.94 -1.80 114.58 118.08 2pnk h GLU 285 Ca 0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2pnk h GLU 285 Cb 0.85 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 2pnk h GLU 285 CO 0.07 0.32 0.04 1.25 -0.73 0.00 0.00 179.01 179.96 2pnk h HIS 286 N 0.51 0.07 -0.24 0.92 2.76 -1.22 -1.98 115.15 115.97 2pnk h HIS 286 Ca 0.22 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.45 2pnk h HIS 286 Cb 0.12 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 29.00 2pnk h HIS 286 CO -0.10 0.04 -0.14 -0.07 -1.30 0.00 0.00 177.93 176.36 2pnk h LEU 287 N 0.08 -0.48 -0.35 0.26 3.38 -1.17 0.11 115.31 117.14 2pnk h LEU 287 Ca 0.02 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2pnk h LEU 287 Cb -0.01 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2pnk h LEU 287 CO -0.01 -0.18 0.22 -0.07 0.09 0.00 0.00 178.44 178.49 2pnk h LEU 288 N -0.13 0.42 -0.22 1.67 3.38 -1.24 -0.09 115.31 119.11 2pnk h LEU 288 Ca 0.13 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 2pnk h LEU 288 Cb 0.33 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2pnk h LEU 288 CO -0.32 0.33 -0.38 -0.09 0.09 0.00 0.00 178.44 178.07 2pnk h ARG 289 N 0.46 0.64 0.00 1.13 2.43 -1.24 -3.31 114.38 114.49 2pnk h ARG 289 Ca 0.13 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2pnk h ARG 289 Cb -0.01 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2pnk h ARG 289 CO -0.03 1.02 -0.46 0.39 -1.51 0.00 0.00 179.97 179.38 2pnk n GLU 290 N -4.24 0.23 -3.11 0.20 -0.58 0.38 -4.25 120.64 109.27 2pnk n GLU 290 Ca -0.05 0.09 -0.26 0.00 -0.42 0.00 0.00 57.16 56.52 2pnk n GLU 290 Cb 0.53 -1.67 -0.05 0.00 -0.57 0.00 0.00 31.44 29.68 2pnk n GLU 290 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2pnk n TYR 291 N -2.02 3.19 0.35 -0.32 4.02 -0.05 -4.91 117.16 117.42 2pnk n TYR 291 Ca 0.04 -3.99 0.12 0.00 -0.01 0.00 0.00 57.90 54.06 2pnk n TYR 291 Cb 0.42 -0.49 0.52 0.00 -0.02 0.00 0.00 39.34 39.77 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 3.34 0.00 -0.30 -0.72 0.13 -1.74 -0.82 132.00 131.90 2pnk h PRO 292 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2pnk h PRO 292 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2pnk h PRO 292 CO 0.76 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.62 2pnk n ASN 293 N -2.30 2.72 -4.76 1.44 3.02 -1.26 -4.88 115.26 109.24 2pnk n ASN 293 Ca 0.01 -1.89 -0.31 0.00 -0.03 0.00 0.00 54.58 52.36 2pnk n ASN 293 Cb 0.20 -0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 39.11 2pnk n ASN 293 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2pnk s ASN 294 N -1.51 5.49 -0.12 6.41 -0.87 -0.31 -4.78 114.94 119.25 2pnk s ASN 294 Ca 0.36 0.02 -0.04 0.00 -1.57 0.00 0.00 52.86 51.63 2pnk s ASN 294 Cb 0.20 -1.49 -0.04 0.00 -0.02 0.00 0.00 41.25 39.91 2pnk s ASN 294 CO 0.29 0.21 0.03 -0.54 -2.57 0.00 0.00 177.10 174.52 2pnk s LYS 295 N -2.12 3.31 -0.07 -0.60 1.02 -1.26 -4.85 119.74 115.18 2pnk s LYS 295 Ca 0.26 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 55.92 2pnk s LYS 295 Cb -0.12 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.25 2pnk s LYS 295 CO 0.18 0.59 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.99 2pnk s PHE 296 N -0.55 1.73 -0.20 3.18 0.40 -0.04 -1.16 117.98 121.34 2pnk s PHE 296 Ca 0.10 -0.63 -0.08 0.00 -0.60 0.00 0.00 56.93 55.72 2pnk s PHE 296 Cb -0.12 -1.21 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 2pnk s PHE 296 CO 0.02 -0.28 0.09 -0.51 0.70 0.00 0.00 175.22 175.24 2pnk s LEU 297 N 0.46 3.90 -0.02 -0.37 1.43 -0.45 -4.25 118.68 119.38 2pnk s LEU 297 Ca -0.13 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2pnk s LEU 297 Cb -0.15 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2pnk s LEU 297 CO 0.04 0.13 -0.08 -0.69 0.23 0.00 0.00 176.35 175.99 2pnk s VAL 298 N 0.62 0.68 0.19 -1.59 1.01 -1.26 -4.19 120.40 115.87 2pnk s VAL 298 Ca 0.05 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2pnk s VAL 298 Cb -0.13 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 2pnk s VAL 298 CO 0.01 0.21 0.10 1.07 0.00 0.00 0.00 175.10 176.49 2pnk n THR 299 N 3.24 0.00 0.00 3.92 5.66 -1.26 -1.97 114.28 123.87 2pnk n THR 299 Ca -0.17 -1.22 0.00 0.00 -3.05 0.00 0.00 64.05 59.61 2pnk n THR 299 Cb 0.55 0.50 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 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 -4.77 1.09 7.94 -0.16 -1.39 117.00 119.72 2pnk n LEU 301 Ca -0.01 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.51 2pnk n LEU 301 Cb 0.31 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.20 2pnk n LEU 301 CO 0.16 0.00 0.32 -0.55 -1.11 0.00 0.00 177.39 176.21 2pnk s SER 302 N -0.80 7.03 0.30 1.96 0.15 -1.26 -4.77 113.70 116.31 2pnk s SER 302 Ca 0.00 1.23 0.03 0.00 0.70 0.00 0.00 55.95 57.91 2pnk s SER 302 Cb 0.00 -2.38 0.63 0.00 -1.71 0.00 0.00 66.02 62.56 2pnk s SER 302 CO 0.00 0.11 1.84 -0.09 1.20 0.00 0.00 173.24 176.30 2pnk h ARG 303 N 5.49 0.88 0.00 5.44 2.43 -1.96 -2.08 114.38 124.59 2pnk h ARG 303 Ca -0.46 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2pnk h ARG 303 Cb 1.20 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2pnk h ARG 303 CO 0.69 0.58 0.00 0.39 -1.51 0.00 0.00 179.97 180.12 2pnk n GLU 304 N -4.62 0.25 0.00 0.20 4.71 -1.26 -2.04 120.64 117.87 2pnk n GLU 304 Ca 0.19 0.07 0.12 0.00 -0.01 0.00 0.00 57.16 57.53 2pnk n GLU 304 Cb 0.40 -1.50 0.26 0.00 -1.01 0.00 0.00 31.44 29.60 2pnk n GLU 304 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2pnk n ASN 305 N -1.34 1.53 -0.02 1.62 5.03 -0.78 -4.71 115.26 116.59 2pnk n ASN 305 Ca 0.10 -1.24 -0.17 0.00 0.87 0.00 0.00 54.58 54.14 2pnk n ASN 305 Cb 0.21 0.21 -0.09 0.00 -1.02 0.00 0.00 39.78 39.10 2pnk n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2pnk h GLN 306 N 1.97 0.60 -0.39 3.52 1.08 -1.50 -2.40 115.11 118.00 2pnk h GLN 306 Ca 0.00 -0.52 -0.07 0.00 -1.45 0.00 0.00 58.65 56.62 2pnk h GLN 306 Cb 0.62 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 2pnk h GLN 306 CO 0.00 1.14 -0.02 1.25 -0.95 0.00 0.00 178.83 180.25 2pnk h HIS 307 N 0.24 0.77 -0.03 2.96 2.76 -1.84 -2.65 115.15 117.35 2pnk h HIS 307 Ca -0.05 -0.14 -0.07 0.00 -2.20 0.00 0.00 60.37 57.90 2pnk h HIS 307 Cb 1.28 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 30.03 2pnk h HIS 307 CO 0.11 0.80 -0.33 1.05 -1.30 0.00 0.00 177.93 178.26 2pnk h GLU 308 N 0.51 0.06 -0.47 5.26 4.11 -1.86 -1.79 114.58 120.40 2pnk h GLU 308 Ca 0.11 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.52 2pnk h GLU 308 Cb 0.51 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2pnk h GLU 308 CO 0.02 0.38 0.30 1.25 0.07 0.00 0.00 179.01 181.04 2pnk h LEU 309 N 0.05 0.54 -0.14 3.06 5.85 -1.32 0.62 115.31 123.96 2pnk h LEU 309 Ca 0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2pnk h LEU 309 Cb 0.61 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2pnk h LEU 309 CO 0.04 0.40 0.07 0.58 -0.34 0.00 0.00 178.44 179.19 2pnk h VAL 310 N 0.63 0.99 -0.93 1.05 2.07 -1.11 -0.51 116.25 118.45 2pnk h VAL 310 Ca 0.17 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.71 2pnk h VAL 310 Cb -0.06 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 2pnk h VAL 310 CO -0.04 0.03 0.58 0.58 0.02 0.00 0.00 177.57 178.74 2pnk h VAL 311 N 0.15 1.03 -0.38 2.57 2.07 -1.11 -2.09 116.25 118.49 2pnk h VAL 311 Ca 0.06 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 2pnk h VAL 311 Cb 0.01 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.67 2pnk h VAL 311 CO -0.04 0.19 -0.04 0.25 0.02 0.00 0.00 177.57 177.95 2pnk h LEU 312 N 1.03 0.60 -1.31 2.57 5.85 -0.12 -1.57 115.31 122.36 2pnk h LEU 312 Ca 0.42 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 2pnk h LEU 312 Cb 0.23 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2pnk h LEU 312 CO -0.19 0.69 0.18 0.00 -0.34 0.00 0.00 178.44 178.78 2pnk h ALA 313 N 1.38 1.46 -0.17 1.25 0.00 -0.47 -0.99 119.26 121.72 2pnk h ALA 313 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2pnk h ALA 313 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2pnk h ALA 313 CO 0.02 0.42 0.06 0.00 0.00 0.00 0.00 179.25 179.74 2pnk h ARG 314 N 0.65 0.23 0.04 0.00 3.08 -0.74 -3.09 114.38 114.56 2pnk h ARG 314 Ca 0.16 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.95 2pnk h ARG 314 Cb 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2pnk h ARG 314 CO -0.02 0.21 -1.16 0.87 -1.07 0.00 0.00 179.97 178.80 2pnk h LYS 315 N 0.24 0.09 -3.78 0.04 1.79 -0.81 -3.45 116.57 110.68 2pnk h LYS 315 Ca 0.06 -0.15 -0.52 0.00 -2.18 0.00 0.00 60.65 57.87 2pnk h LYS 315 Cb 0.07 0.05 -0.39 0.00 -1.58 0.00 0.00 32.23 30.39 2pnk h LYS 315 CO -0.01 1.02 -0.77 -0.06 -1.08 0.00 0.00 179.45 178.55 2pnk s PHE 316 N -2.68 1.20 -0.90 -1.35 0.08 -0.81 -5.00 117.98 108.53 2pnk s PHE 316 Ca -0.02 -0.82 0.22 0.00 0.12 0.00 0.00 56.93 56.43 2pnk s PHE 316 Cb 0.09 -1.09 0.89 0.00 -0.57 0.00 0.00 43.02 42.34 2pnk s PHE 316 CO 0.84 -0.56 1.68 -1.13 -0.10 0.00 0.00 175.22 175.95 2pnk n SER 317 N 5.00 0.19 -0.44 1.36 3.41 -1.26 -1.94 113.62 119.93 2pnk n SER 317 Ca -0.09 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.14 2pnk n SER 317 Cb 0.48 -0.58 0.35 0.00 -0.26 0.00 0.00 64.21 64.20 2pnk n SER 317 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2pnk n ASN 318 N -1.69 1.32 -3.16 4.04 6.94 -1.26 -5.03 115.26 116.41 2pnk n ASN 318 Ca 0.05 -1.73 -0.08 0.00 -0.02 0.00 0.00 54.58 52.80 2pnk n ASN 318 Cb 0.26 -0.10 0.02 0.00 -2.36 0.00 0.00 39.78 37.60 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 0.12 0.00 -3.66 -4.53 7.94 -0.82 -0.86 117.00 115.20 2pnk n LEU 319 Ca 0.14 -1.01 -0.15 0.00 -1.11 0.00 0.00 56.01 53.88 2pnk n LEU 319 Cb 0.26 -0.15 -0.08 0.00 0.53 0.00 0.00 43.42 43.98 2pnk n LEU 319 CO 0.11 -0.56 0.22 0.27 -1.11 0.00 0.00 177.39 176.32 2pnk s ILE 321 N -0.52 0.02 -0.06 1.96 -4.36 -1.26 -4.93 121.20 112.06 2pnk s ILE 321 Ca 0.23 -0.18 -0.04 0.00 -0.26 0.00 0.00 60.65 60.40 2pnk s ILE 321 Cb -0.02 -0.78 0.02 0.00 1.25 0.00 0.00 42.46 42.93 2pnk s ILE 321 CO 0.14 -0.10 0.14 0.72 0.24 0.00 0.00 174.94 176.08 2pnk s PHE 322 N -0.86 -0.15 0.00 1.37 -0.71 -0.83 -2.40 117.98 114.39 2pnk s PHE 322 Ca -0.09 0.40 0.00 0.00 -1.04 0.00 0.00 56.93 56.20 2pnk s PHE 322 Cb -0.03 -0.00 0.00 0.00 -1.21 0.00 0.00 43.02 41.78 2pnk s PHE 322 CO 0.05 -0.11 0.00 0.41 -1.34 0.00 0.00 175.22 174.24 2pnk n GLY 323 N 3.47 -1.24 2.87 1.99 0.00 -0.53 -4.33 105.19 107.42 2pnk n GLY 323 Ca -0.18 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 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 0.31 3.39 0.00 0.00 -0.00 -1.26 -3.50 118.94 117.88 2pnk s TRP 325 Ca 0.15 1.34 0.00 0.00 -0.00 0.00 0.00 56.10 57.59 2pnk s TRP 325 Cb -0.23 -3.12 0.00 0.00 -0.00 0.00 0.00 33.47 30.12 2pnk s TRP 325 CO -0.04 -0.34 0.00 1.87 -0.00 0.00 0.00 176.95 178.44 2pnk n TRP 326 N 5.66 0.00 -0.48 5.86 -0.00 -1.26 -3.97 117.44 123.24 2pnk n TRP 326 Ca 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.52 2pnk n TRP 326 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.71 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 -3.98 5.87 3.72 -1.26 -4.65 117.46 117.16 2pnk n PHE 327 Ca 0.00 -0.74 -0.43 0.00 -0.05 0.00 0.00 57.45 56.22 2pnk n PHE 327 Cb 0.00 -0.92 0.03 0.00 -0.94 0.00 0.00 39.48 37.64 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 2.57 -4.46 -3.86 4.37 5.15 -1.23 -5.03 115.26 112.77 2pnk n ASN 329 Ca 0.19 -1.23 -0.14 0.00 -0.60 0.00 0.00 54.58 52.80 2pnk n ASN 329 Cb 0.45 -2.09 -0.15 0.00 -0.53 0.00 0.00 39.78 37.46 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 -3.51 0.13 0.27 1.20 0.01 -1.26 -5.01 114.94 106.78 2pnk s ASN 330 Ca 0.49 -0.01 -0.03 0.00 -0.71 0.00 0.00 52.86 52.60 2pnk s ASN 330 Cb -0.25 -0.04 0.58 0.00 0.41 0.00 0.00 41.25 41.95 2pnk s ASN 330 CO 0.95 -0.02 1.62 -0.65 -1.51 0.00 0.00 177.10 177.48 2pnk h PRO 331 N 6.44 0.10 -0.78 -0.60 0.11 -1.98 0.12 132.00 135.42 2pnk h PRO 331 Ca -0.30 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.86 2pnk h PRO 331 Cb 1.18 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 2pnk h PRO 331 CO 0.50 0.07 0.47 1.49 -0.21 0.00 0.00 178.00 180.32 2pnk h GLU 332 N 0.11 0.84 0.06 1.05 4.57 -1.99 -1.29 114.58 117.91 2pnk h GLU 332 Ca 0.49 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 58.45 2pnk h GLU 332 Cb 0.94 -0.19 0.02 0.00 -0.16 0.00 0.00 28.75 29.36 2pnk h GLU 332 CO -0.73 0.56 -0.72 0.82 -1.18 0.00 0.00 179.01 177.75 2pnk h ILE 333 N 0.86 1.45 -0.67 2.32 2.04 -1.46 -2.81 117.51 119.24 2pnk h ILE 333 Ca 0.34 -2.26 0.09 0.00 1.00 0.00 0.00 64.86 64.03 2pnk h ILE 333 Cb 0.16 2.81 -0.07 0.00 -0.74 0.00 0.00 36.82 38.98 2pnk h ILE 333 CO -0.17 0.65 0.30 0.40 0.00 0.00 0.00 178.15 179.34 2pnk h ILE 334 N -0.17 0.81 0.71 -0.67 2.04 -1.03 -2.76 117.51 116.45 2pnk h ILE 334 Ca -0.11 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 2pnk h ILE 334 Cb 1.47 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2pnk h ILE 334 CO 0.14 0.09 -0.36 -1.13 0.00 0.00 0.00 178.15 176.89 2pnk h ASN 335 N 0.52 -0.87 0.00 1.72 -1.24 -1.27 0.88 115.58 115.32 2pnk h ASN 335 Ca 0.33 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.38 2pnk h ASN 335 Cb 0.38 0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.66 2pnk h ASN 335 CO -0.28 -0.60 0.00 -1.84 -1.29 0.00 0.00 177.43 173.42 2pnk n GLU 336 N -5.52 0.10 0.00 6.67 0.28 -1.04 -1.61 120.64 119.52 2pnk n GLU 336 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 2pnk n GLU 336 Cb 0.40 -1.30 0.00 0.00 1.43 0.00 0.00 31.44 31.97 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 0.77 0.00 0.28 3.84 -1.04 0.30 -4.59 114.28 113.84 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 0.04 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 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 0.28 -0.32 -2.82 1.74 -0.64 -4.61 116.66 110.30 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 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.66 -0.80 -0.00 5.56 1.74 -1.26 -5.01 116.66 117.54 2pnk n ARG 341 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2pnk n ARG 341 Cb 0.11 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 2pnk n ARG 341 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2pnk n GLU 343 N -0.32 -1.00 0.00 5.56 1.02 -1.26 -3.86 120.64 120.78 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 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 -5.15 117.00 110.73 2pnk n LEU 345 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pnk n LEU 345 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2pnk n LEU 345 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2pnk n GLY 346 N -0.00 3.56 0.93 -0.72 0.00 -1.25 -1.38 105.19 106.32 2pnk n GLY 346 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 1.62 -1.44 2.61 -2.24 -1.26 -4.75 114.28 108.82 2pnk n THR 347 Ca 0.00 -1.35 -0.25 0.00 -2.27 0.00 0.00 64.05 60.18 2pnk n THR 347 Cb 0.00 0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.32 2pnk n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2pnk n SER 348 N 0.30 6.38 -3.54 3.42 3.41 -0.48 -4.75 113.62 118.36 2pnk n SER 348 Ca 0.18 -3.09 -0.11 0.00 -0.26 0.00 0.00 58.87 55.59 2pnk n SER 348 Cb 0.69 -1.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.34 2pnk n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2pnk s PHE 349 N -1.27 0.53 -0.34 7.33 -0.71 -1.26 -4.82 117.98 117.44 2pnk s PHE 349 Ca 0.60 -0.91 -0.02 0.00 -1.04 0.00 0.00 56.93 55.56 2pnk s PHE 349 Cb 0.36 0.24 0.07 0.00 -1.21 0.00 0.00 43.02 42.49 2pnk s PHE 349 CO -0.18 -1.16 0.08 0.42 -1.34 0.00 0.00 175.22 173.03 2pnk s ILE 350 N -3.37 3.08 0.36 -4.49 1.01 -1.01 -4.69 121.20 112.09 2pnk s ILE 350 Ca 0.23 -1.66 0.09 0.00 0.00 0.00 0.00 60.65 59.32 2pnk s ILE 350 Cb -0.02 -2.91 0.13 0.00 0.01 0.00 0.00 42.46 39.66 2pnk s ILE 350 CO 0.13 -0.33 1.86 1.55 0.00 0.00 0.00 174.94 178.14 2pnk h PRO 351 N 8.00 0.23 -3.06 2.79 0.13 -1.86 -1.41 132.00 136.81 2pnk h PRO 351 Ca -0.17 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 64.80 2pnk h PRO 351 Cb 1.05 -0.02 -0.17 0.00 0.13 0.00 0.00 31.00 31.99 2pnk h PRO 351 CO 0.59 0.44 -0.16 -1.14 -0.23 0.00 0.00 178.00 177.49 2pnk s GLN 352 N -4.56 0.85 0.15 0.86 2.00 -1.26 -3.43 119.66 114.28 2pnk s GLN 352 Ca -0.05 -0.35 -0.02 0.00 -2.00 0.00 0.00 55.36 52.94 2pnk s GLN 352 Cb 0.15 0.38 -0.04 0.00 0.80 0.00 0.00 33.01 34.30 2pnk s GLN 352 CO 0.74 -0.28 0.11 -3.38 -0.50 0.00 0.00 175.29 171.98 2pnk s HIS 353 N -2.24 0.87 -0.15 1.67 -3.43 -1.26 -4.65 115.29 106.10 2pnk s HIS 353 Ca -0.07 -1.21 0.17 0.00 -0.80 0.00 0.00 55.06 53.15 2pnk s HIS 353 Cb -0.02 -0.44 -0.25 0.00 -1.43 0.00 0.00 32.58 30.45 2pnk s HIS 353 CO -0.01 -0.58 0.27 -1.13 -2.00 0.00 0.00 174.74 171.29 2pnk n SER 354 N -0.15 0.23 -1.96 7.38 3.41 -1.24 -4.71 113.62 116.57 2pnk n SER 354 Ca -0.04 0.11 -0.12 0.00 -0.26 0.00 0.00 58.87 58.56 2pnk n SER 354 Cb 0.64 0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 65.37 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 -2.78 -3.64 -4.65 4.04 8.00 -0.53 -4.86 116.55 112.13 2pnk n ASP 355 Ca -0.26 0.24 -0.50 0.00 0.71 0.00 0.00 54.79 54.98 2pnk n ASP 355 Cb 1.07 -3.23 -0.05 0.00 -0.02 0.00 0.00 41.12 38.89 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 -1.05 0.28 -0.05 2.24 0.00 -1.26 -4.27 120.51 116.40 2pnk n ALA 356 Ca -0.14 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.71 2pnk n ALA 356 Cb 0.52 -2.26 -0.14 0.00 0.00 0.00 0.00 19.45 17.57 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 3.83 0.66 -5.22 0.00 1.74 -1.26 0.19 116.66 116.61 2pnk n ARG 357 Ca 0.19 0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.98 2pnk n ARG 357 Cb 0.23 -1.60 -0.17 0.00 -1.02 0.00 0.00 32.46 29.91 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 -2.81 2.12 0.20 1.55 1.01 -1.26 -4.37 120.40 116.84 2pnk s VAL 358 Ca -0.08 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 2pnk s VAL 358 Cb 0.08 -1.79 0.20 0.00 0.00 0.00 0.00 36.38 34.88 2pnk s VAL 358 CO 0.84 0.56 1.64 0.25 0.00 0.00 0.00 175.10 178.39 2pnk h LEU 359 N 6.38 -0.54 -2.51 3.92 5.85 -1.36 -0.69 115.31 126.35 2pnk h LEU 359 Ca -0.26 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2pnk h LEU 359 Cb 1.21 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 2pnk h LEU 359 CO 0.47 -0.19 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.03 2pnk h GLU 360 N -0.00 0.00 -0.24 1.25 3.07 -1.93 -2.66 114.58 114.07 2pnk h GLU 360 Ca 0.28 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.21 2pnk h GLU 360 Cb 0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 2pnk h GLU 360 CO -0.60 0.02 0.25 1.96 -1.40 0.00 0.00 179.01 179.24 2pnk h GLN 361 N 0.00 0.00 -0.96 2.33 4.20 -1.52 -0.25 115.11 118.91 2pnk h GLN 361 Ca -0.00 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.93 2pnk h GLN 361 Cb 0.11 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.81 2pnk h GLN 361 CO 0.00 0.00 0.62 -0.07 -0.67 0.00 0.00 178.83 178.72 2pnk h LEU 362 N 0.00 0.47 0.76 1.46 3.38 -1.65 0.32 115.31 120.06 2pnk h LEU 362 Ca 0.11 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2pnk h LEU 362 Cb 0.60 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.33 2pnk h LEU 362 CO -0.00 0.16 -0.38 0.40 0.09 0.00 0.00 178.44 178.71 2pnk h ILE 363 N 0.46 0.22 -0.13 1.22 2.04 -1.28 -2.78 117.51 117.26 2pnk h ILE 363 Ca 0.52 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 66.18 2pnk h ILE 363 Cb 1.22 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2pnk h ILE 363 CO -0.23 0.00 -0.74 0.10 0.00 0.00 0.00 178.15 177.28 2pnk h TYR 364 N -1.05 0.82 -0.54 1.37 -0.00 -1.59 -1.11 116.97 114.88 2pnk h TYR 364 Ca -0.10 -0.36 0.01 0.00 0.00 0.00 0.00 58.73 58.28 2pnk h TYR 364 Cb 0.81 -0.13 -0.03 0.00 0.00 0.00 0.00 36.73 37.39 2pnk h TYR 364 CO -0.04 1.15 0.35 0.87 -0.00 0.00 0.00 178.16 180.50 2pnk h LYS 365 N 0.42 0.70 0.20 0.10 1.79 -1.03 0.10 116.57 118.85 2pnk h LYS 365 Ca -0.04 -0.04 -0.31 0.00 -2.18 0.00 0.00 60.65 58.08 2pnk h LYS 365 Cb 1.34 -0.16 0.03 0.00 -1.58 0.00 0.00 32.23 31.86 2pnk h LYS 365 CO 0.14 0.46 -1.37 -1.49 -1.08 0.00 0.00 179.45 176.11 2pnk h TRP 366 N 0.72 0.85 -0.17 -1.35 4.06 -1.53 -2.39 115.95 116.14 2pnk h TRP 366 Ca 0.20 -0.60 -0.01 0.00 2.06 0.00 0.00 58.89 60.54 2pnk h TRP 366 Cb -0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 2pnk h TRP 366 CO -0.04 1.46 0.07 0.45 -3.56 0.00 0.00 178.44 176.83 2pnk h HIS 367 N 0.15 0.25 -0.81 0.49 3.86 -1.01 0.16 115.15 118.24 2pnk h HIS 367 Ca -0.21 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 58.95 2pnk h HIS 367 Cb 2.07 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 30.43 2pnk h HIS 367 CO 0.11 0.31 0.38 0.45 0.86 0.00 0.00 177.93 180.04 2pnk h HIS 368 N 0.12 1.18 -0.12 2.45 3.86 -0.87 -2.73 115.15 119.04 2pnk h HIS 368 Ca 0.06 -0.06 -0.17 0.00 -1.16 0.00 0.00 60.37 59.03 2pnk h HIS 368 Cb 0.16 -0.36 0.01 0.00 1.06 0.00 0.00 27.41 28.27 2pnk h HIS 368 CO -0.02 0.86 -0.60 0.77 0.86 0.00 0.00 177.93 179.80 2pnk h SER 369 N 1.15 0.73 -0.98 2.45 0.02 -1.26 -3.16 113.55 112.50 2pnk h SER 369 Ca 0.28 -0.64 0.01 0.00 -0.84 0.00 0.00 61.79 60.60 2pnk h SER 369 Cb 0.13 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 2pnk h SER 369 CO -0.03 1.25 0.65 0.11 -1.14 0.00 0.00 176.83 177.66 2pnk h LYS 370 N 0.25 1.28 -0.85 3.45 1.57 -0.64 -1.41 116.57 120.22 2pnk h LYS 370 Ca -0.04 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2pnk h LYS 370 Cb 1.24 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 2pnk h LYS 370 CO 0.12 0.85 0.51 0.66 -0.57 0.00 0.00 179.45 181.02 2pnk h SER 371 N 1.32 1.02 -0.08 0.86 4.64 -1.47 0.60 113.55 120.44 2pnk h SER 371 Ca 0.36 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.53 2pnk h SER 371 Cb -0.14 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.69 2pnk h SER 371 CO -0.08 0.79 -0.30 0.40 -0.87 0.00 0.00 176.83 176.77 2pnk h ILE 372 N 1.17 1.41 -0.41 0.95 2.04 -1.41 -2.55 117.51 118.72 2pnk h ILE 372 Ca 0.31 -1.67 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 2pnk h ILE 372 Cb -0.05 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 2pnk h ILE 372 CO -0.06 0.48 0.17 0.40 0.00 0.00 0.00 178.15 179.14 2pnk h ILE 373 N -0.13 1.19 -0.60 -0.67 2.04 -1.08 -1.31 117.51 116.95 2pnk h ILE 373 Ca -0.01 -0.58 0.10 0.00 1.00 0.00 0.00 64.86 65.36 2pnk h ILE 373 Cb 0.93 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.75 2pnk h ILE 373 CO 0.06 0.21 0.21 0.00 0.00 0.00 0.00 178.15 178.64 2pnk h ALA 374 N 1.02 0.77 -0.14 1.87 0.00 -0.90 0.35 119.26 122.23 2pnk h ALA 374 Ca 0.14 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2pnk h ALA 374 Cb 0.17 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2pnk h ALA 374 CO -0.01 -0.21 -0.24 1.49 0.00 0.00 0.00 179.25 180.28 2pnk h GLU 375 N 0.39 0.25 -0.01 0.00 4.57 -0.94 -0.52 114.58 118.32 2pnk h GLU 375 Ca 0.31 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2pnk h GLU 375 Cb 0.39 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2pnk h GLU 375 CO -0.32 0.48 0.00 0.28 -1.18 0.00 0.00 179.01 178.28 2pnk h VAL 376 N 0.23 1.23 -0.57 0.32 2.07 -0.56 -2.52 116.25 116.45 2pnk h VAL 376 Ca 0.04 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 66.95 2pnk h VAL 376 Cb 0.56 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 2pnk h VAL 376 CO 0.04 0.18 0.25 -0.07 0.02 0.00 0.00 177.57 177.98 2pnk h LEU 377 N -0.26 0.30 -0.39 2.57 3.38 -0.55 -2.27 115.31 118.09 2pnk h LEU 377 Ca 0.00 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2pnk h LEU 377 Cb 0.29 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2pnk h LEU 377 CO 0.00 0.20 0.08 0.40 0.09 0.00 0.00 178.44 179.20 2pnk h ILE 378 N 0.46 0.80 -0.57 1.22 2.04 -1.08 0.12 117.51 120.50 2pnk h ILE 378 Ca 0.27 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 2pnk h ILE 378 Cb 0.26 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2pnk h ILE 378 CO -0.24 0.04 0.34 0.44 0.00 0.00 0.00 178.15 178.73 2pnk h ASP 379 N 0.20 0.69 -0.37 1.72 3.32 -1.00 0.11 116.42 121.09 2pnk h ASP 379 Ca 0.19 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 2pnk h ASP 379 Cb 0.22 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2pnk h ASP 379 CO -0.25 0.55 -0.36 0.11 -1.72 0.00 0.00 179.24 177.57 2pnk h LYS 380 N 0.77 0.91 -0.37 3.56 6.56 -1.08 -0.72 116.57 126.19 2pnk h LYS 380 Ca 0.20 -0.48 -0.10 0.00 -1.06 0.00 0.00 60.65 59.22 2pnk h LYS 380 Cb -0.00 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 2pnk h LYS 380 CO -0.04 1.13 -0.16 1.88 -2.06 0.00 0.00 179.45 180.20 2pnk h TYR 381 N 0.72 0.87 -0.44 -1.35 0.05 -0.70 -2.50 116.97 113.61 2pnk h TYR 381 Ca 0.06 -0.21 0.03 0.00 0.05 0.00 0.00 58.73 58.66 2pnk h TYR 381 Cb 0.96 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.46 2pnk h TYR 381 CO 0.06 0.94 0.25 0.22 -1.05 0.00 0.00 178.16 178.58 2pnk h ASP 382 N 0.56 0.38 -0.61 3.88 3.58 -0.87 0.47 116.42 123.81 2pnk h ASP 382 Ca 0.09 0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.65 2pnk h ASP 382 Cb 0.70 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.60 2pnk h ASP 382 CO 0.05 0.27 0.18 0.44 -2.88 0.00 0.00 179.24 177.31 2pnk h ASP 383 N 0.49 0.12 0.73 2.28 3.32 -1.07 0.84 116.42 123.14 2pnk h ASP 383 Ca 0.18 0.09 -0.16 0.00 0.02 0.00 0.00 57.03 57.17 2pnk h ASP 383 Cb 0.05 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2pnk h ASP 383 CO -0.10 0.07 -0.75 0.16 -1.72 0.00 0.00 179.24 176.90 2pnk h ILE 384 N 0.34 1.53 -0.52 0.35 3.07 -0.95 -2.45 117.51 118.88 2pnk h ILE 384 Ca 0.31 -2.56 -0.02 0.00 1.55 0.00 0.00 64.86 64.14 2pnk h ILE 384 Cb 0.43 2.38 -0.02 0.00 -0.27 0.00 0.00 36.82 39.34 2pnk h ILE 384 CO -0.35 0.73 0.23 -0.07 -1.05 0.00 0.00 178.15 177.64 2pnk h LEU 385 N 0.01 0.69 -1.88 0.16 3.38 -0.52 -1.54 115.31 115.61 2pnk h LEU 385 Ca -0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2pnk h LEU 385 Cb 1.33 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2pnk h LEU 385 CO 0.10 0.65 -0.13 1.56 0.09 0.00 0.00 178.44 180.71 2pnk h GLN 386 N 0.69 0.00 -0.00 1.13 1.08 -0.72 -0.35 115.11 116.94 2pnk h GLN 386 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2pnk h GLN 386 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2pnk h GLN 386 CO -0.02 0.13 -0.01 0.00 -0.95 0.00 0.00 178.83 177.98 2pnk n ALA 387 N -2.38 2.62 0.00 3.87 0.00 -0.83 -4.90 120.51 118.89 2pnk n ALA 387 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2pnk n ALA 387 Cb 0.22 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2pnk n ALA 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnk n GLY 388 N 1.12 0.55 3.77 0.00 0.00 -0.14 -5.07 105.19 105.42 2pnk n GLY 388 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2pnk n GLY 388 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2pnk s TRP 389 N -2.00 3.41 -0.45 1.61 -0.11 -0.64 -5.00 118.94 115.75 2pnk s TRP 389 Ca 0.00 1.68 -0.09 0.00 1.22 0.00 0.00 56.10 58.91 2pnk s TRP 389 Cb 0.00 -3.17 0.11 0.00 -1.50 0.00 0.00 33.47 28.91 2pnk s TRP 389 CO 0.00 -0.54 0.31 -1.21 -4.62 0.00 0.00 176.95 170.89 2pnk s GLU 390 N -2.09 2.51 0.11 5.86 0.41 -1.26 -4.13 118.70 120.11 2pnk s GLU 390 Ca 0.53 -1.66 -0.30 0.00 -0.41 0.00 0.00 54.97 53.12 2pnk s GLU 390 Cb -0.25 -3.87 -0.06 0.00 -1.78 0.00 0.00 34.13 28.17 2pnk s GLU 390 CO 0.32 -1.11 1.01 0.08 -0.49 0.00 0.00 175.26 175.07 2pnk s VAL 391 N 1.38 4.35 0.31 2.63 1.01 -1.26 -5.05 120.40 123.77 2pnk s VAL 391 Ca 0.05 1.92 0.03 0.00 0.00 0.00 0.00 61.98 63.98 2pnk s VAL 391 Cb -0.25 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 2pnk s VAL 391 CO 0.00 0.28 0.47 0.42 0.00 0.00 0.00 175.10 176.26 2pnk s THR 392 N 0.13 4.96 0.24 3.92 -4.23 -1.26 -4.50 115.64 114.90 2pnk s THR 392 Ca 0.49 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 60.20 2pnk s THR 392 Cb -0.25 -3.77 0.13 0.00 1.34 0.00 0.00 72.50 69.94 2pnk s THR 392 CO 0.31 -0.39 1.76 -0.08 -0.54 0.00 0.00 174.62 175.68 2pnk h GLU 393 N 0.92 0.92 0.00 3.99 4.81 -1.99 -1.87 114.58 121.36 2pnk h GLU 393 Ca -0.50 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 58.44 2pnk h GLU 393 Cb 1.23 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2pnk h GLU 393 CO 0.60 0.86 -0.32 0.93 -0.73 0.00 0.00 179.01 180.35 2pnk h GLU 394 N 0.87 0.00 -0.38 1.92 4.39 -1.99 -1.14 114.58 118.25 2pnk h GLU 394 Ca 0.18 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.72 2pnk h GLU 394 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2pnk h GLU 394 CO 0.01 0.32 -0.39 0.93 -1.16 0.00 0.00 179.01 178.71 2pnk h GLU 395 N 0.00 0.94 0.03 2.33 5.08 -1.84 -1.63 114.58 119.49 2pnk h GLU 395 Ca -0.00 -0.50 0.02 0.00 -1.00 0.00 0.00 59.36 57.88 2pnk h GLU 395 Cb 0.67 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2pnk h GLU 395 CO 0.04 1.15 -0.16 0.82 -1.00 0.00 0.00 179.01 179.86 2pnk h ILE 396 N 0.76 0.61 -0.78 3.13 2.04 -0.88 -0.63 117.51 121.77 2pnk h ILE 396 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 2pnk h ILE 396 Cb 0.99 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 2pnk h ILE 396 CO 0.10 0.00 0.51 0.11 0.00 0.00 0.00 178.15 178.87 2pnk h LYS 397 N -0.29 1.00 0.47 2.37 1.57 -1.19 -0.67 116.57 119.84 2pnk h LYS 397 Ca 0.04 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2pnk h LYS 397 Cb 0.34 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2pnk h LYS 397 CO -0.13 0.66 -0.23 -0.09 -0.57 0.00 0.00 179.45 179.09 2pnk h ARG 398 N 1.03 -0.61 -0.60 3.15 2.43 -0.99 -1.36 114.38 117.43 2pnk h ARG 398 Ca 0.29 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.58 2pnk h ARG 398 Cb -0.08 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 2pnk h ARG 398 CO -0.07 -0.36 0.27 -0.44 -1.51 0.00 0.00 179.97 177.86 2pnk h ASP 399 N -0.73 0.34 -0.56 -3.80 3.32 -0.75 -0.98 116.42 113.27 2pnk h ASP 399 Ca -0.07 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2pnk h ASP 399 Cb 0.53 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 2pnk h ASP 399 CO 0.11 0.22 0.28 0.58 -1.72 0.00 0.00 179.24 178.70 2pnk h VAL 400 N 0.50 1.20 -0.33 -1.35 2.07 -1.10 -1.87 116.25 115.37 2pnk h VAL 400 Ca 0.29 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 2pnk h VAL 400 Cb 0.28 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2pnk h VAL 400 CO -0.24 0.23 -0.09 0.00 0.02 0.00 0.00 177.57 177.49 2pnk h ALA 401 N 1.47 0.45 -0.25 1.67 0.00 -0.45 -1.59 119.26 120.56 2pnk h ALA 401 Ca 0.21 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2pnk h ALA 401 Cb 0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2pnk h ALA 401 CO -0.03 0.30 -0.21 -0.44 0.00 0.00 0.00 179.25 178.88 2pnk h ASP 402 N 0.42 -0.66 -0.46 0.00 3.32 -0.94 0.12 116.42 118.21 2pnk h ASP 402 Ca 0.08 0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 2pnk h ASP 402 Cb 0.60 0.33 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 2pnk h ASP 402 CO 0.04 -0.24 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.19 2pnk h LEU 403 N -0.20 0.88 0.00 1.55 3.38 -1.11 0.64 115.31 120.44 2pnk h LEU 403 Ca 0.14 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2pnk h LEU 403 Cb 0.42 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2pnk h LEU 403 CO -0.37 0.97 -0.95 0.49 0.09 0.00 0.00 178.44 178.68 2pnk n PHE 404 N -4.18 0.07 0.09 1.13 3.72 -0.62 -4.17 117.46 113.51 2pnk n PHE 404 Ca 0.02 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2pnk n PHE 404 Cb 0.35 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.66 -1.25 0.10 4.37 2.88 -0.44 -1.56 113.62 116.06 2pnk n SER 405 Ca 0.03 0.35 -0.05 0.00 -1.33 0.00 0.00 58.87 57.87 2pnk n SER 405 Cb 0.37 1.37 0.10 0.00 -0.75 0.00 0.00 64.21 65.31 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 0.16 -0.88 -1.46 3.08 -0.68 -2.99 114.38 111.60 2pnk h ARG 406 Ca 0.00 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2pnk h ARG 406 Cb 0.00 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2pnk h ARG 406 CO 0.00 0.77 0.52 -0.91 -1.07 0.00 0.00 179.97 179.28 2pnk h ASN 407 N 0.11 1.07 0.14 7.04 2.35 -1.10 -0.23 115.58 124.96 2pnk h ASN 407 Ca -0.01 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2pnk h ASN 407 Cb 1.19 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2pnk h ASN 407 CO 0.10 0.83 -0.07 0.15 -1.65 0.00 0.00 177.43 176.79 2pnk h PHE 408 N 1.22 -0.17 -0.49 1.19 3.57 -1.76 -0.84 116.94 119.66 2pnk h PHE 408 Ca 0.32 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 2pnk h PHE 408 Cb -0.03 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2pnk h PHE 408 CO 0.00 0.03 -0.07 -1.49 -2.23 0.00 0.00 178.31 174.55 2pnk h TRP 409 N -0.34 0.96 -0.51 0.41 4.06 -1.41 -1.25 115.95 117.88 2pnk h TRP 409 Ca -0.02 -0.17 -0.00 0.00 2.06 0.00 0.00 58.89 60.76 2pnk h TRP 409 Cb 0.27 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 2pnk h TRP 409 CO -0.02 0.90 0.31 -0.09 -3.56 0.00 0.00 178.44 175.98 2pnk h ARG 410 N 0.80 0.70 -0.17 0.49 2.43 -1.02 -1.48 114.38 116.12 2pnk h ARG 410 Ca 0.14 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2pnk h ARG 410 Cb 0.58 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2pnk h ARG 410 CO 0.04 0.51 0.03 0.35 -1.51 0.00 0.00 179.97 179.38 2pnk h PHE 411 N 0.69 0.29 0.00 2.20 3.57 -0.65 -2.97 116.94 120.06 2pnk h PHE 411 Ca 0.18 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2pnk h PHE 411 Cb -0.01 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2pnk h PHE 411 CO -0.03 0.43 0.00 1.33 -2.23 0.00 0.00 178.31 177.82 2pnk n VAL 412 N -4.79 0.52 -3.12 1.41 0.24 -0.51 -4.91 118.33 107.17 2pnk n VAL 412 Ca -0.05 0.04 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 2pnk n VAL 412 Cb 0.18 -0.76 0.05 0.00 -1.47 0.00 0.00 33.84 31.84 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 0.82 0.09 3.27 7.63 0.00 -0.57 -4.84 105.19 111.59 2pnk n GLY 413 Ca 0.05 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 2pnk n GLY 413 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pnk s ARG 414 N -5.74 1.49 -0.03 1.61 1.81 -1.13 -5.08 118.95 111.89 2pnk s ARG 414 Ca 0.33 -1.83 0.03 0.00 -1.72 0.00 0.00 55.73 52.53 2pnk s ARG 414 Cb -0.15 0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.46 2pnk s ARG 414 CO 0.42 -0.47 -0.09 -0.80 -0.68 0.00 0.00 175.30 173.67 2pnk s ASN 415 N -3.30 4.45 1.23 0.23 0.01 -1.26 -4.56 114.94 111.74 2pnk s ASN 415 Ca 0.38 -0.14 -0.19 0.00 -0.71 0.00 0.00 52.86 52.20 2pnk s ASN 415 Cb 0.05 -1.02 0.30 0.00 0.41 0.00 0.00 41.25 40.99 2pnk s ASN 415 CO 0.18 0.32 1.06 1.51 -1.51 0.00 0.00 177.10 178.66 2pnk s ASP 416 N -1.09 0.61 0.12 -1.22 1.47 -1.26 -4.68 116.67 110.63 2pnk s ASP 416 Ca 0.14 0.77 -0.20 0.00 1.18 0.00 0.00 52.55 54.45 2pnk s ASP 416 Cb -0.11 -1.11 -0.05 0.00 -0.34 0.00 0.00 42.92 41.31 2pnk s ASP 416 CO 0.04 -4.33 1.76 -0.74 0.68 0.00 0.00 175.17 172.58 2pnk h HIS 417 N -2.72 0.17 -0.80 2.11 -0.00 -1.90 -1.14 115.15 110.87 2pnk h HIS 417 Ca -0.46 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 59.89 2pnk h HIS 417 Cb 1.31 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 28.63 2pnk h HIS 417 CO -2.04 0.10 0.39 0.28 -0.00 0.00 0.00 177.93 176.66 2pnk h VAL 418 N 0.20 1.25 -0.00 5.26 2.07 -1.93 -0.35 116.25 122.75 2pnk h VAL 418 Ca 0.08 -0.69 -0.16 0.00 0.82 0.00 0.00 66.70 66.75 2pnk h VAL 418 Cb 0.02 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 2pnk h VAL 418 CO -0.06 0.30 -0.75 0.74 0.02 0.00 0.00 177.57 177.82 2pnk h THR 419 N 1.14 1.53 0.00 2.57 2.02 -1.90 -3.04 112.91 115.24 2pnk h THR 419 Ca 0.28 -2.56 -0.10 0.00 0.77 0.00 0.00 66.41 64.80 2pnk h THR 419 Cb 0.11 2.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2pnk h THR 419 CO -0.04 0.73 -0.50 0.28 0.37 0.00 0.00 175.52 176.37 2pnk h SER 420 N 0.01 0.00 0.34 4.18 0.02 -0.77 -2.67 113.55 114.66 2pnk h SER 420 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2pnk h SER 420 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2pnk h SER 420 CO 0.10 0.50 -0.00 1.33 -1.14 0.00 0.00 176.83 177.61 2pnk n VAL 421 N -3.73 0.00 -2.76 2.27 0.24 -0.18 -3.27 118.33 110.91 2pnk n VAL 421 Ca -0.01 -0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.89 2pnk n VAL 421 Cb 0.55 -0.50 0.01 0.00 -1.47 0.00 0.00 33.84 32.43 2pnk n VAL 421 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2pnk n LYS 422 N -1.17 4.99 0.00 7.34 5.02 -1.01 -5.08 118.16 128.26 2pnk n LYS 422 Ca 0.18 -4.67 0.00 0.00 -2.02 0.00 0.00 58.31 51.81 2pnk n LYS 422 Cb 0.19 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 32.75 2pnk n LYS 422 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21