#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnk n ASN 4 N 0.00 1.76 -3.50 4.38 2.04 -1.26 -4.92 115.26 113.75 2pnk n ASN 4 Ca 0.00 -3.16 -0.09 0.00 -0.44 0.00 0.00 54.58 50.89 2pnk n ASN 4 Cb 0.00 -0.43 -0.02 0.00 -2.53 0.00 0.00 39.78 36.79 2pnk n ASN 4 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 2pnk s SER 5 N -2.90 -0.38 -0.06 0.53 0.15 -1.26 -5.04 113.70 104.75 2pnk s SER 5 Ca 0.37 0.04 -0.02 0.00 0.70 0.00 0.00 55.95 57.04 2pnk s SER 5 Cb 0.38 0.39 -0.26 0.00 -1.71 0.00 0.00 66.02 64.82 2pnk s SER 5 CO -0.09 -0.62 0.62 -0.09 1.20 0.00 0.00 173.24 174.25 2pnk h ARG 6 N 2.05 0.21 -0.01 5.44 2.43 -1.98 -1.61 114.38 120.93 2pnk h ARG 6 Ca -0.23 -0.37 -0.09 0.00 -0.81 0.00 0.00 59.98 58.49 2pnk h ARG 6 Cb 1.24 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 2pnk h ARG 6 CO 0.31 1.03 -0.42 0.93 -1.51 0.00 0.00 179.97 180.32 2pnk h GLU 7 N 0.06 0.01 -0.07 0.20 3.07 -1.98 0.43 114.58 116.30 2pnk h GLU 7 Ca -0.33 -0.01 -0.24 0.00 -0.50 0.00 0.00 59.36 58.28 2pnk h GLU 7 Cb 2.03 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.95 2pnk h GLU 7 CO 0.12 0.43 -0.91 0.28 -1.40 0.00 0.00 179.01 177.53 2pnk h VAL 8 N 0.01 1.29 0.27 3.13 2.07 -1.96 -1.98 116.25 119.08 2pnk h VAL 8 Ca -0.00 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 2pnk h VAL 8 Cb 0.74 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2pnk h VAL 8 CO 0.05 0.66 -0.14 0.25 0.02 0.00 0.00 177.57 178.41 2pnk h LEU 9 N 0.45 -0.35 -0.73 2.57 5.85 -1.21 -2.07 115.31 119.81 2pnk h LEU 9 Ca -0.09 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.78 2pnk h LEU 9 Cb 1.55 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.58 2pnk h LEU 9 CO 0.18 -0.24 0.29 0.00 -0.34 0.00 0.00 178.44 178.33 2pnk h ALA 10 N 0.34 1.02 -0.17 1.25 0.00 -0.11 -0.39 119.26 121.21 2pnk h ALA 10 Ca -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2pnk h ALA 10 Cb 0.31 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2pnk h ALA 10 CO 0.05 -0.21 0.05 1.49 0.00 0.00 0.00 179.25 180.63 2pnk h GLU 11 N 0.44 0.26 -0.51 0.00 4.81 -1.25 0.40 114.58 118.73 2pnk h GLU 11 Ca 0.40 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.52 2pnk h GLU 11 Cb 0.59 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 2pnk h GLU 11 CO -0.39 0.37 0.08 0.87 -0.73 0.00 0.00 179.01 179.20 2pnk h LYS 12 N 0.10 0.80 -0.09 1.92 1.57 -0.73 0.60 116.57 120.74 2pnk h LYS 12 Ca 0.05 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 2pnk h LYS 12 Cb 0.22 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2pnk h LYS 12 CO -0.00 0.76 -0.21 0.28 -0.57 0.00 0.00 179.45 179.71 2pnk h VAL 13 N 0.76 1.41 -0.75 0.50 2.07 -0.92 -1.34 116.25 117.99 2pnk h VAL 13 Ca 0.16 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 2pnk h VAL 13 Cb 0.35 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 2pnk h VAL 13 CO 0.01 0.44 0.34 0.11 0.02 0.00 0.00 177.57 178.48 2pnk h LYS 14 N -0.18 1.10 -0.40 1.57 1.57 -0.86 0.60 116.57 119.96 2pnk h LYS 14 Ca -0.00 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2pnk h LYS 14 Cb 0.81 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 2pnk h LYS 14 CO 0.05 0.87 0.24 -0.91 -0.57 0.00 0.00 179.45 179.12 2pnk h ASN 15 N 1.06 0.38 -0.50 0.86 2.35 -0.88 0.85 115.58 119.71 2pnk h ASN 15 Ca 0.25 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.95 2pnk h ASN 15 Cb 0.16 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2pnk h ASN 15 CO -0.03 0.28 0.07 0.00 -1.65 0.00 0.00 177.43 176.10 2pnk h ALA 16 N 1.18 0.66 -0.29 -0.83 0.00 -0.79 -0.22 119.26 118.97 2pnk h ALA 16 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2pnk h ALA 16 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2pnk h ALA 16 CO -0.07 0.41 0.13 0.28 0.00 0.00 0.00 179.25 180.00 2pnk h VAL 17 N 0.71 1.16 -0.31 0.00 2.07 -0.71 -1.74 116.25 117.43 2pnk h VAL 17 Ca 0.15 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2pnk h VAL 17 Cb 0.42 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2pnk h VAL 17 CO 0.01 0.16 0.20 -1.13 0.02 0.00 0.00 177.57 176.84 2pnk h ASN 18 N 0.33 0.36 0.71 0.57 -0.73 -0.64 -3.17 115.58 113.03 2pnk h ASN 18 Ca 0.10 -0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.12 2pnk h ASN 18 Cb 0.14 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.62 2pnk h ASN 18 CO -0.01 0.28 -0.61 0.78 -0.37 0.00 0.00 177.43 177.50 2pnk h ASN 19 N 0.42 0.00 -2.61 1.15 2.35 -0.91 -3.45 115.58 112.52 2pnk h ASN 19 Ca 0.11 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.32 2pnk h ASN 19 Cb -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2pnk h ASN 19 CO -0.02 0.61 1.08 -1.58 -1.65 0.00 0.00 177.43 175.87 2pnk s GLN 20 N -3.51 4.18 0.24 0.81 2.00 -0.67 -4.96 119.66 117.76 2pnk s GLN 20 Ca -0.01 2.21 -0.30 0.00 -2.00 0.00 0.00 55.36 55.26 2pnk s GLN 20 Cb 0.12 -3.96 -0.10 0.00 0.80 0.00 0.00 33.01 29.87 2pnk s GLN 20 CO 0.75 -0.83 1.44 -2.14 -0.50 0.00 0.00 175.29 174.01 2pnk s PRO 21 N 3.92 4.27 -0.06 1.67 0.02 -1.26 -4.93 135.00 138.63 2pnk s PRO 21 Ca 0.74 2.30 -0.14 0.00 0.02 0.00 0.00 61.00 63.92 2pnk s PRO 21 Cb -0.34 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.02 2pnk s PRO 21 CO 0.30 -0.43 0.36 0.08 -0.33 0.00 0.00 177.00 176.99 2pnk s VAL 22 N 0.05 5.16 -0.30 3.83 1.01 0.24 -4.68 120.40 125.71 2pnk s VAL 22 Ca 0.60 0.73 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 2pnk s VAL 22 Cb -0.42 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2pnk s VAL 22 CO 0.43 0.52 0.31 -0.89 0.00 0.00 0.00 175.10 175.46 2pnk s THR 23 N -0.56 5.22 0.40 3.92 2.01 -0.38 -0.13 115.64 126.11 2pnk s THR 23 Ca 0.22 0.23 0.06 0.00 0.31 0.00 0.00 61.69 62.51 2pnk s THR 23 Cb -0.15 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.67 2pnk s THR 23 CO 0.10 0.09 0.55 -0.62 -0.69 0.00 0.00 174.62 174.05 2pnk s ASP 24 N 1.71 5.77 -0.41 3.53 -1.08 -0.27 -4.71 116.67 121.22 2pnk s ASP 24 Ca 0.11 -0.24 -0.36 0.00 -0.52 0.00 0.00 52.55 51.54 2pnk s ASP 24 Cb -0.16 -0.97 -0.15 0.00 -1.46 0.00 0.00 42.92 40.17 2pnk s ASP 24 CO 0.11 -0.65 1.70 1.57 0.52 0.00 0.00 175.17 178.42 2pnk n HIS 26 N -1.82 0.98 -4.22 -5.34 -0.00 -1.26 -0.48 115.22 103.08 2pnk n HIS 26 Ca 0.04 0.65 -0.13 0.00 -0.00 0.00 0.00 57.72 58.29 2pnk n HIS 26 Cb 0.59 -1.85 -0.10 0.00 -0.00 0.00 0.00 29.99 28.62 2pnk n HIS 26 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2pnk s THR 27 N 4.66 0.22 -0.39 3.57 -4.23 -0.14 -1.17 115.64 118.16 2pnk s THR 27 Ca 0.96 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 59.55 2pnk s THR 27 Cb -1.22 -2.39 0.47 0.00 1.34 0.00 0.00 72.50 70.71 2pnk s THR 27 CO 0.55 -0.16 1.49 1.41 -0.54 0.00 0.00 174.62 177.37 2pnk n HIS 28 N -0.27 2.32 -3.37 3.99 8.25 0.12 -1.88 115.22 124.39 2pnk n HIS 28 Ca -0.01 -2.22 -0.21 0.00 -0.26 0.00 0.00 57.72 55.02 2pnk n HIS 28 Cb 0.65 -0.67 -0.00 0.00 1.12 0.00 0.00 29.99 31.09 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 -3.54 3.92 0.04 2.41 1.43 -1.15 -4.54 118.68 117.26 2pnk s LEU 29 Ca 0.52 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2pnk s LEU 29 Cb 0.43 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 2pnk s LEU 29 CO 0.01 -0.45 -0.07 -0.36 0.23 0.00 0.00 176.35 175.71 2pnk s PHE 30 N -2.29 0.65 0.27 0.29 0.08 -1.26 -4.38 117.98 111.33 2pnk s PHE 30 Ca 0.44 -0.53 -0.29 0.00 0.12 0.00 0.00 56.93 56.66 2pnk s PHE 30 Cb -0.10 -0.39 -0.14 0.00 -0.57 0.00 0.00 43.02 41.82 2pnk s PHE 30 CO 0.34 -0.10 1.09 0.45 -0.10 0.00 0.00 175.22 176.90 2pnk n SER 31 N 1.36 1.53 0.28 1.36 2.88 -1.26 -4.78 113.62 115.00 2pnk n SER 31 Ca -0.22 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.62 2pnk n SER 31 Cb 0.55 -1.30 0.82 0.00 -0.75 0.00 0.00 64.21 63.53 2pnk n SER 31 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2pnk h PRO 32 N 2.49 0.00 0.00 -1.46 0.13 -1.93 -1.72 132.00 129.51 2pnk h PRO 32 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 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 0.64 0.04 0.00 0.27 -0.23 0.00 0.00 178.00 178.72 2pnk n ASN 33 N -3.90 0.00 -0.01 1.44 6.94 -1.26 -1.66 115.26 116.81 2pnk n ASN 33 Ca -0.03 0.44 0.15 0.00 -0.02 0.00 0.00 54.58 55.12 2pnk n ASN 33 Cb 0.13 -0.47 0.73 0.00 -2.36 0.00 0.00 39.78 37.82 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 -1.47 0.00 -2.71 -2.53 3.01 -0.65 -5.03 117.46 108.09 2pnk n PHE 34 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2pnk n PHE 34 Cb 0.11 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.30 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 1.30 0.18 0.00 1.37 0.00 -0.66 -4.37 105.19 103.01 2pnk n GLY 35 Ca 0.14 -1.25 0.10 0.00 0.00 0.00 0.00 46.02 45.01 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 4.40 0.17 0.31 1.61 -0.58 -1.26 -2.15 120.64 123.14 2pnk n GLU 36 Ca 0.00 0.12 0.20 0.00 -0.42 0.00 0.00 57.16 57.05 2pnk n GLU 36 Cb 0.00 -1.50 1.03 0.00 -0.57 0.00 0.00 31.44 30.40 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 0.14 -2.94 -3.67 3.07 -1.98 -3.37 117.51 108.76 2pnk h ILE 37 Ca 0.00 -0.16 -0.55 0.00 1.55 0.00 0.00 64.86 65.70 2pnk h ILE 37 Cb 0.26 1.14 -0.06 0.00 -0.27 0.00 0.00 36.82 37.89 2pnk h ILE 37 CO 0.00 0.02 1.07 -0.22 -1.05 0.00 0.00 178.15 177.97 2pnk s LEU 38 N -6.49 3.43 0.09 0.16 2.96 -0.91 -4.78 118.68 113.13 2pnk s LEU 38 Ca -0.04 0.29 -0.24 0.00 -0.22 0.00 0.00 54.13 53.93 2pnk s LEU 38 Cb 0.13 -3.12 -0.07 0.00 0.50 0.00 0.00 46.19 43.63 2pnk s LEU 38 CO 0.47 -1.64 0.72 -0.76 -1.32 0.00 0.00 176.35 173.83 2pnk s LEU 39 N 5.76 4.52 -0.01 -0.68 1.43 -1.26 -5.01 118.68 123.42 2pnk s LEU 39 Ca 0.51 1.47 -0.29 0.00 -1.03 0.00 0.00 54.13 54.78 2pnk s LEU 39 Cb -0.10 -3.17 0.08 0.00 0.03 0.00 0.00 46.19 43.03 2pnk s LEU 39 CO 0.26 0.15 0.71 -1.66 0.23 0.00 0.00 176.35 176.03 2pnk s TRP 40 N -0.68 -0.59 0.00 0.29 1.48 -1.26 -1.02 118.94 117.17 2pnk s TRP 40 Ca 0.35 0.85 0.00 0.00 -1.06 0.00 0.00 56.10 56.24 2pnk s TRP 40 Cb -0.21 0.45 0.00 0.00 -1.16 0.00 0.00 33.47 32.55 2pnk s TRP 40 CO 0.23 -0.63 0.00 -0.40 -4.06 0.00 0.00 176.95 172.09 2pnk n ASP 41 N 0.55 0.00 -0.19 -2.66 5.68 -1.26 -4.65 116.55 114.01 2pnk n ASP 41 Ca -0.17 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.11 2pnk n ASP 41 Cb 0.59 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.80 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 1.20 -0.05 2.12 6.09 -1.96 -0.82 117.51 124.10 2pnk h ILE 42 Ca 0.00 -0.50 -0.12 0.00 -1.37 0.00 0.00 64.86 62.87 2pnk h ILE 42 Cb 0.00 0.27 -0.01 0.00 0.47 0.00 0.00 36.82 37.54 2pnk h ILE 42 CO 0.00 0.22 -0.51 0.44 -3.07 0.00 0.00 178.15 175.23 2pnk h ASP 43 N 0.96 0.14 -0.30 2.19 3.32 -1.95 -0.57 116.42 120.21 2pnk h ASP 43 Ca 0.25 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 57.05 2pnk h ASP 43 Cb 0.01 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2pnk h ASP 43 CO -0.04 0.63 -0.48 -0.33 -1.72 0.00 0.00 179.24 177.30 2pnk h GLU 44 N 0.10 0.88 -0.43 3.56 4.39 -1.70 -2.72 114.58 118.66 2pnk h GLU 44 Ca 0.00 -0.51 -0.02 0.00 0.34 0.00 0.00 59.36 59.17 2pnk h GLU 44 Cb 0.94 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 2pnk h GLU 44 CO 0.07 1.15 0.19 -0.07 -1.16 0.00 0.00 179.01 179.20 2pnk h LEU 45 N 0.69 0.57 -0.99 1.33 3.38 -0.88 -2.51 115.31 116.91 2pnk h LEU 45 Ca 0.03 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2pnk h LEU 45 Cb 1.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2pnk h LEU 45 CO 0.11 0.56 -0.37 -0.07 0.09 0.00 0.00 178.44 178.76 2pnk h LEU 46 N 0.55 0.00 -2.67 1.67 3.38 -1.13 -3.15 115.31 113.96 2pnk h LEU 46 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2pnk h LEU 46 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2pnk h LEU 46 CO -0.02 0.37 0.00 0.35 0.09 0.00 0.00 178.44 179.23 2pnk n THR 47 N -3.57 0.87 -1.49 0.22 -2.24 -1.03 -4.66 114.28 102.39 2pnk n THR 47 Ca -0.00 -0.94 -0.46 0.00 -2.27 0.00 0.00 64.05 60.38 2pnk n THR 47 Cb 0.49 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.32 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 1.14 0.26 0.28 4.78 9.36 -0.95 -4.71 117.16 127.32 2pnk n TYR 48 Ca 0.18 0.81 0.17 0.00 3.32 0.00 0.00 57.90 62.37 2pnk n TYR 48 Cb 0.53 -2.09 0.74 0.00 -0.63 0.00 0.00 39.34 37.88 2pnk n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 2pnk h HIS 49 N 1.40 0.00 -0.71 2.98 2.07 -1.92 -0.74 115.15 118.23 2pnk h HIS 49 Ca -0.35 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.20 2pnk h HIS 49 Cb 1.39 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.33 2pnk h HIS 49 CO 0.44 0.04 0.45 1.88 -3.07 0.00 0.00 177.93 177.67 2pnk h TYR 50 N 0.00 0.85 0.05 6.12 -1.99 -1.96 -1.88 116.97 118.15 2pnk h TYR 50 Ca -0.00 0.02 -0.23 0.00 2.00 0.00 0.00 58.73 60.52 2pnk h TYR 50 Cb 0.45 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.90 2pnk h TYR 50 CO 0.00 0.49 -1.03 -0.07 -0.00 0.00 0.00 178.16 177.55 2pnk h LEU 51 N 0.89 0.31 -0.36 3.88 3.38 -1.45 -2.95 115.31 119.01 2pnk h LEU 51 Ca 0.28 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2pnk h LEU 51 Cb 0.01 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 2pnk h LEU 51 CO -0.10 1.16 0.08 0.58 0.09 0.00 0.00 178.44 180.24 2pnk h VAL 52 N 0.10 0.83 -0.19 1.22 2.07 -1.21 0.14 116.25 119.20 2pnk h VAL 52 Ca -0.07 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.42 2pnk h VAL 52 Cb 1.72 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 2pnk h VAL 52 CO 0.16 0.04 -0.11 0.00 0.02 0.00 0.00 177.57 177.68 2pnk h ALA 53 N 1.27 0.05 -0.49 1.67 0.00 -1.36 -2.93 119.26 117.47 2pnk h ALA 53 Ca 0.17 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2pnk h ALA 53 Cb 0.19 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2pnk h ALA 53 CO -0.22 -0.53 -0.15 0.93 0.00 0.00 0.00 179.25 179.27 2pnk h GLU 54 N -0.09 0.94 -2.11 0.00 5.08 -1.24 -3.17 114.58 113.98 2pnk h GLU 54 Ca 0.11 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2pnk h GLU 54 Cb 0.25 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2pnk h GLU 54 CO -0.25 1.02 0.03 1.55 -1.00 0.00 0.00 179.01 180.36 2pnk n VAL 55 N -4.13 0.71 0.00 3.13 3.14 0.45 -3.90 118.33 117.73 2pnk n VAL 55 Ca 0.01 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 2pnk n VAL 55 Cb 0.42 -1.24 0.00 0.00 -1.06 0.00 0.00 33.84 31.95 2pnk n VAL 55 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2pnk n ARG 57 N 2.00 0.00 -0.01 1.45 1.74 -1.20 -1.20 116.66 119.44 2pnk n ARG 57 Ca 0.02 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.09 2pnk n ARG 57 Cb 0.19 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.62 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 -2.97 -1.55 7.02 -1.25 -5.09 117.44 113.60 2pnk n TRP 58 Ca 0.00 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.14 2pnk n TRP 58 Cb 0.00 -0.04 -0.06 0.00 -2.42 0.00 0.00 31.31 28.78 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 -2.02 4.50 -0.72 -0.99 -1.32 -0.34 -4.96 115.64 109.78 2pnk s THR 59 Ca -0.01 1.31 0.26 0.00 -1.21 0.00 0.00 61.69 62.03 2pnk s THR 59 Cb 0.00 -3.70 0.28 0.00 -1.51 0.00 0.00 72.50 67.57 2pnk s THR 59 CO 0.02 -0.12 1.78 0.47 -2.21 0.00 0.00 174.62 174.56 2pnk n ASP 60 N -0.16 0.72 -4.71 8.08 8.00 -1.26 -4.84 116.55 122.38 2pnk n ASP 60 Ca 0.04 0.58 -0.42 0.00 0.71 0.00 0.00 54.79 55.70 2pnk n ASP 60 Cb 0.53 -0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 40.83 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 -3.12 3.18 0.64 2.53 1.01 -1.26 -4.99 120.40 118.40 2pnk s VAL 61 Ca 0.10 0.82 -0.16 0.00 0.00 0.00 0.00 61.98 62.75 2pnk s VAL 61 Cb 0.12 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2pnk s VAL 61 CO 0.56 0.05 1.12 -0.94 0.00 0.00 0.00 175.10 175.90 2pnk s SER 62 N 1.25 5.13 0.42 3.32 1.04 -1.26 -4.83 113.70 118.77 2pnk s SER 62 Ca 0.66 2.07 0.10 0.00 0.48 0.00 0.00 55.95 59.26 2pnk s SER 62 Cb -0.38 -2.56 0.93 0.00 0.10 0.00 0.00 66.02 64.11 2pnk s SER 62 CO 0.30 -1.62 2.04 -0.29 0.98 0.00 0.00 173.24 174.65 2pnk h ILE 63 N 0.21 1.03 0.31 -1.02 6.09 -1.97 0.12 117.51 122.28 2pnk h ILE 63 Ca -0.47 -0.17 -0.01 0.00 -1.37 0.00 0.00 64.86 62.83 2pnk h ILE 63 Cb 1.25 0.50 0.00 0.00 0.47 0.00 0.00 36.82 39.05 2pnk h ILE 63 CO 0.54 0.09 -0.15 -0.33 -3.07 0.00 0.00 178.15 175.23 2pnk h GLU 64 N 0.49 -0.40 -0.97 2.19 3.07 -1.94 -2.23 114.58 114.80 2pnk h GLU 64 Ca 0.19 0.03 0.10 0.00 -0.50 0.00 0.00 59.36 59.17 2pnk h GLU 64 Cb 0.13 0.09 -0.07 0.00 -0.84 0.00 0.00 28.75 28.06 2pnk h GLU 64 CO -0.05 -0.20 0.62 0.00 -1.40 0.00 0.00 179.01 177.98 2pnk h ALA 65 N 0.16 1.53 -0.00 3.43 0.00 -1.77 -1.85 119.26 120.76 2pnk h ALA 65 Ca -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pnk h ALA 65 Cb 0.38 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2pnk h ALA 65 CO 0.07 0.27 0.00 0.35 0.00 0.00 0.00 179.25 179.94 2pnk h PHE 66 N 1.01 0.00 0.00 0.00 3.57 -0.82 -2.58 116.94 118.12 2pnk h PHE 66 Ca 0.45 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.92 2pnk h PHE 66 Cb 0.37 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 2pnk h PHE 66 CO -0.00 0.16 -0.15 -1.49 -2.23 0.00 0.00 178.31 174.60 2pnk h TRP 67 N -0.16 0.00 0.00 0.41 -0.00 -1.19 -3.44 115.95 111.57 2pnk h TRP 67 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.75 2pnk h TRP 67 Cb 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.28 2pnk h TRP 67 CO -0.02 0.15 0.19 0.00 -0.00 0.00 0.00 178.44 178.76 2pnk n ALA 68 N -2.31 4.42 -2.51 1.49 0.00 -0.72 -5.07 120.51 115.81 2pnk n ALA 68 Ca -0.02 -1.23 -0.20 0.00 0.00 0.00 0.00 53.44 51.99 2pnk n ALA 68 Cb 0.26 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.33 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 2.45 5.59 0.17 0.00 1.04 -1.26 -5.09 113.70 116.59 2pnk s SER 70 Ca 0.42 -0.35 -0.16 0.00 0.48 0.00 0.00 55.95 56.34 2pnk s SER 70 Cb 0.19 -1.11 0.11 0.00 0.10 0.00 0.00 66.02 65.31 2pnk s SER 70 CO -0.00 -0.37 1.71 0.50 0.98 0.00 0.00 173.24 176.05 2pnk h LYS 71 N 1.11 0.13 -0.70 4.02 1.63 -1.97 -0.94 116.57 119.86 2pnk h LYS 71 Ca -0.45 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.29 2pnk h LYS 71 Cb 1.25 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.82 2pnk h LYS 71 CO 0.56 0.09 0.25 -0.09 -3.45 0.00 0.00 179.45 176.80 2pnk h ARG 72 N 0.13 1.06 -0.74 1.90 2.43 -1.99 -0.56 114.38 116.61 2pnk h ARG 72 Ca 0.19 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2pnk h ARG 72 Cb 0.26 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 2pnk h ARG 72 CO -0.30 0.90 0.21 0.93 -1.51 0.00 0.00 179.97 180.20 2pnk h GLU 73 N 1.01 1.16 -0.25 0.20 5.08 -1.92 -0.03 114.58 119.82 2pnk h GLU 73 Ca 0.23 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2pnk h GLU 73 Cb 0.26 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2pnk h GLU 73 CO -0.01 1.00 0.16 1.96 -1.00 0.00 0.00 179.01 181.12 2pnk h GLN 74 N 1.11 0.34 -0.46 2.33 4.20 -0.88 -1.87 115.11 119.88 2pnk h GLN 74 Ca 0.24 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.93 2pnk h GLN 74 Cb 0.33 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2pnk h GLN 74 CO -0.00 0.24 0.30 0.00 -0.67 0.00 0.00 178.83 178.69 2pnk h ALA 75 N 1.08 0.58 -0.64 3.87 0.00 -0.80 -1.50 119.26 121.85 2pnk h ALA 75 Ca 0.09 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2pnk h ALA 75 Cb -0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 2pnk h ALA 75 CO -0.02 0.02 0.36 -0.44 0.00 0.00 0.00 179.25 179.17 2pnk h ASP 76 N 0.61 0.55 0.06 0.00 3.32 -0.85 -0.35 116.42 119.76 2pnk h ASP 76 Ca 0.17 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2pnk h ASP 76 Cb -0.05 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2pnk h ASP 76 CO -0.05 0.37 -0.03 0.25 -1.72 0.00 0.00 179.24 178.06 2pnk h LEU 77 N 0.69 -0.06 -0.69 1.55 5.85 -1.10 -1.62 115.31 119.92 2pnk h LEU 77 Ca 0.28 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.77 2pnk h LEU 77 Cb 0.14 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 2pnk h LEU 77 CO -0.16 0.30 0.32 0.40 -0.34 0.00 0.00 178.44 178.96 2pnk h ILE 78 N -0.44 0.81 -0.09 4.05 2.04 -1.13 0.11 117.51 122.87 2pnk h ILE 78 Ca -0.01 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.69 2pnk h ILE 78 Cb 0.39 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 2pnk h ILE 78 CO 0.01 0.10 -0.04 -0.25 0.00 0.00 0.00 178.15 177.97 2pnk h TRP 79 N 0.54 -0.09 -0.15 1.37 2.91 -0.96 0.55 115.95 120.12 2pnk h TRP 79 Ca 0.34 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.37 2pnk h TRP 79 Cb 0.39 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.09 2pnk h TRP 79 CO -0.13 -0.06 0.06 1.49 -1.03 0.00 0.00 178.44 178.77 2pnk h GLU 80 N -0.03 0.22 -0.10 2.65 4.57 -0.76 -1.32 114.58 119.83 2pnk h GLU 80 Ca 0.05 -0.04 -0.23 0.00 -1.18 0.00 0.00 59.36 57.96 2pnk h GLU 80 Cb 0.10 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2pnk h GLU 80 CO -0.11 0.31 -0.85 0.93 -1.18 0.00 0.00 179.01 178.11 2pnk h GLU 81 N 0.09 0.75 0.00 1.92 4.39 -0.66 0.11 114.58 121.18 2pnk h GLU 81 Ca 0.05 -0.67 0.00 0.00 0.34 0.00 0.00 59.36 59.08 2pnk h GLU 81 Cb 0.16 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2pnk h GLU 81 CO -0.00 1.27 -1.74 1.28 -1.16 0.00 0.00 179.01 178.66 2pnk n LEU 82 N -3.93 0.26 -0.05 1.33 4.77 0.17 -3.78 117.00 115.77 2pnk n LEU 82 Ca -0.09 -0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 55.68 2pnk n LEU 82 Cb 0.78 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.83 2pnk n LEU 82 CO 0.54 0.06 -0.83 0.49 -1.33 0.00 0.00 177.39 176.32 2pnk n PHE 83 N -2.06 0.00 -0.09 -1.77 3.01 -0.54 -3.14 117.46 112.87 2pnk n PHE 83 Ca -0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.21 2pnk n PHE 83 Cb 0.51 -0.37 -0.12 0.00 -0.01 0.00 0.00 39.48 39.49 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 -2.99 1.59 0.28 4.37 2.08 -0.92 -4.33 119.36 119.43 2pnk n ILE 84 Ca -0.18 -0.30 0.13 0.00 0.56 0.00 0.00 62.75 62.96 2pnk n ILE 84 Cb 0.67 -1.88 0.32 0.00 -0.75 0.00 0.00 39.64 38.00 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 -0.66 0.00 -4.00 0.38 1.57 -0.97 -3.45 116.57 109.44 2pnk h LYS 85 Ca -0.47 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.21 2pnk h LYS 85 Cb 1.60 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.76 2pnk h LYS 85 CO -0.18 0.00 -0.52 1.03 -0.57 0.00 0.00 179.45 179.21 2pnk s ARG 86 N -3.30 0.71 0.16 3.15 3.00 -1.25 -5.04 118.95 116.38 2pnk s ARG 86 Ca 0.06 -1.05 -0.30 0.00 0.00 0.00 0.00 55.73 54.44 2pnk s ARG 86 Cb 0.07 0.27 -0.07 0.00 0.00 0.00 0.00 34.95 35.22 2pnk s ARG 86 CO 0.63 -0.19 1.14 -1.12 0.00 0.00 0.00 175.30 175.76 2pnk s SER 87 N -2.81 7.19 -1.12 0.23 0.01 -1.26 -3.46 113.70 112.48 2pnk s SER 87 Ca 0.05 2.12 -0.10 0.00 1.31 0.00 0.00 55.95 59.32 2pnk s SER 87 Cb 0.06 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.62 2pnk s SER 87 CO -0.10 -0.30 2.29 -0.81 0.41 0.00 0.00 173.24 174.73 2pnk n PRO 88 N 2.64 2.45 0.06 12.44 -0.04 -1.19 -4.64 135.00 146.73 2pnk n PRO 88 Ca 0.04 -1.82 0.12 0.00 -0.04 0.00 0.00 63.50 61.80 2pnk n PRO 88 Cb 0.46 -2.70 0.14 0.00 -0.04 0.00 0.00 33.50 31.36 2pnk n PRO 88 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2pnk h VAL 89 N 3.57 0.00 -4.24 0.52 -1.51 -1.91 -3.08 116.25 109.59 2pnk h VAL 89 Ca 0.58 -0.55 -0.51 0.00 -1.23 0.00 0.00 66.70 64.99 2pnk h VAL 89 Cb 0.32 1.10 0.11 0.00 -2.13 0.00 0.00 31.29 30.69 2pnk h VAL 89 CO 1.66 0.00 0.36 -0.94 -1.23 0.00 0.00 177.57 177.42 2pnk s SER 90 N -4.34 4.96 0.22 4.19 1.04 -1.26 -4.74 113.70 113.77 2pnk s SER 90 Ca 0.05 1.91 -0.08 0.00 0.48 0.00 0.00 55.95 58.31 2pnk s SER 90 Cb 0.13 -2.54 0.30 0.00 0.10 0.00 0.00 66.02 64.01 2pnk s SER 90 CO 0.74 -1.73 1.79 -0.08 0.98 0.00 0.00 173.24 174.93 2pnk h GLU 91 N -0.37 0.62 -0.43 4.02 4.57 -1.96 0.31 114.58 121.32 2pnk h GLU 91 Ca -0.46 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 57.59 2pnk h GLU 91 Cb 1.24 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 2pnk h GLU 91 CO 0.53 0.41 -0.10 0.00 -1.18 0.00 0.00 179.01 178.67 2pnk h ALA 92 N 1.40 0.60 0.11 2.92 0.00 -1.95 0.21 119.26 122.55 2pnk h ALA 92 Ca 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2pnk h ALA 92 Cb 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2pnk h ALA 92 CO -0.24 0.48 -0.05 0.00 0.00 0.00 0.00 179.25 179.44 2pnk h ARG 94 N -0.50 0.21 -0.79 0.00 2.43 -0.31 -1.64 114.38 113.78 2pnk h ARG 94 Ca -0.01 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 2pnk h ARG 94 Cb 0.41 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 2pnk h ARG 94 CO 0.02 0.14 0.44 0.78 -1.51 0.00 0.00 179.97 179.84 2pnk h GLY 95 N 0.21 1.20 0.79 2.80 0.00 -0.77 -0.96 103.07 106.34 2pnk h GLY 95 Ca 0.51 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.58 2pnk h GLY 95 CO -0.63 0.12 0.29 -2.08 0.00 0.00 0.00 176.54 174.24 2pnk h VAL 96 N 0.74 1.00 -0.59 4.60 2.07 -1.01 -1.49 116.25 121.57 2pnk h VAL 96 Ca 0.38 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.65 2pnk h VAL 96 Cb 0.34 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2pnk h VAL 96 CO -0.24 0.10 0.14 -0.07 0.02 0.00 0.00 177.57 177.52 2pnk h LEU 97 N 0.56 0.89 -1.17 2.57 3.38 -1.20 -1.80 115.31 118.54 2pnk h LEU 97 Ca 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2pnk h LEU 97 Cb 0.09 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2pnk h LEU 97 CO -0.13 0.90 0.43 0.74 0.09 0.00 0.00 178.44 180.46 2pnk h THR 98 N 0.85 1.21 -0.11 0.22 2.02 -0.92 -1.55 112.91 114.63 2pnk h THR 98 Ca 0.18 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2pnk h THR 98 Cb 0.35 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2pnk h THR 98 CO 0.00 0.22 0.03 0.00 0.37 0.00 0.00 175.52 176.15 2pnk h LEU 100 N -0.01 0.04 -0.36 0.00 3.38 -1.18 -1.94 115.31 115.24 2pnk h LEU 100 Ca 0.04 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2pnk h LEU 100 Cb 0.23 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2pnk h LEU 100 CO -0.00 0.06 0.21 -0.61 0.09 0.00 0.00 178.44 178.18 2pnk h GLN 101 N 0.15 0.41 -0.01 1.13 4.15 -1.26 -1.10 115.11 118.59 2pnk h GLN 101 Ca 0.09 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2pnk h GLN 101 Cb 0.08 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 2pnk h GLN 101 CO -0.11 0.27 -0.03 0.78 -1.93 0.00 0.00 178.83 177.81 2pnk h GLY 102 N 0.43 0.01 0.56 2.39 0.00 -0.98 -1.63 103.07 103.85 2pnk h GLY 102 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2pnk h GLY 102 CO -0.07 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.51 2pnk n LEU 103 N -4.50 0.40 0.00 3.11 4.77 -0.75 -4.90 117.00 115.13 2pnk n LEU 103 Ca -0.03 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2pnk n LEU 103 Cb 0.12 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2pnk n LEU 103 CO 0.34 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2pnk n GLY 104 N 1.03 0.75 3.87 -0.72 0.00 -0.61 -5.06 105.19 104.45 2pnk n GLY 104 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2pnk n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pnk s LEU 105 N 0.00 3.84 -0.39 0.99 1.43 -0.46 -5.00 118.68 119.09 2pnk s LEU 105 Ca 0.00 1.13 -0.06 0.00 -1.03 0.00 0.00 54.13 54.17 2pnk s LEU 105 Cb 0.00 -4.01 0.08 0.00 0.03 0.00 0.00 46.19 42.30 2pnk s LEU 105 CO 0.00 -0.39 0.19 -0.62 0.23 0.00 0.00 176.35 175.76 2pnk s ASP 106 N -3.13 5.37 0.64 2.29 2.15 -1.26 -3.62 116.67 119.11 2pnk s ASP 106 Ca 0.51 -1.65 0.35 0.00 0.43 0.00 0.00 52.55 52.20 2pnk s ASP 106 Cb -0.10 -1.88 1.97 0.00 -0.30 0.00 0.00 42.92 42.61 2pnk s ASP 106 CO 0.31 -0.49 2.18 -0.65 -0.17 0.00 0.00 175.17 176.35 2pnk h PRO 107 N 8.21 0.00 -0.57 4.34 0.11 -1.91 -2.86 132.00 139.33 2pnk h PRO 107 Ca -0.19 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.98 2pnk h PRO 107 Cb 1.07 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2pnk h PRO 107 CO 0.70 0.00 0.38 0.00 -0.21 0.00 0.00 178.00 178.86 2pnk h ALA 108 N 1.77 1.85 0.00 -0.75 0.00 -2.00 -2.33 119.26 117.80 2pnk h ALA 108 Ca 0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2pnk h ALA 108 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2pnk h ALA 108 CO -0.00 0.06 -0.44 1.79 0.00 0.00 0.00 179.25 180.65 2pnk h THR 109 N 0.53 0.77 -4.21 0.00 1.35 -1.95 -3.47 112.91 105.93 2pnk h THR 109 Ca 0.25 -2.06 -0.39 0.00 -0.55 0.00 0.00 66.41 63.66 2pnk h THR 109 Cb 0.29 2.36 0.01 0.00 -1.73 0.00 0.00 68.15 69.08 2pnk h THR 109 CO -0.07 0.43 -0.55 0.54 -0.25 0.00 0.00 175.52 175.62 2pnk n ARG 110 N -3.22 -3.66 -3.28 4.72 1.74 -0.88 -4.90 116.66 107.18 2pnk n ARG 110 Ca 0.02 0.84 -0.45 0.00 -0.77 0.00 0.00 57.85 57.49 2pnk n ARG 110 Cb 0.70 -5.61 -0.00 0.00 -1.02 0.00 0.00 32.46 26.53 2pnk n ARG 110 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2pnk s ASP 111 N -2.48 7.25 0.41 0.55 -1.08 -1.26 -4.86 116.67 115.19 2pnk s ASP 111 Ca 0.21 -3.44 0.09 0.00 -0.52 0.00 0.00 52.55 48.89 2pnk s ASP 111 Cb -0.10 -2.24 0.88 0.00 -1.46 0.00 0.00 42.92 40.00 2pnk s ASP 111 CO 0.26 -0.37 2.02 0.25 0.52 0.00 0.00 175.17 177.85 2pnk h LEU 112 N 7.19 0.49 -0.55 -1.34 5.85 -1.98 -1.03 115.31 123.93 2pnk h LEU 112 Ca 0.19 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2pnk h LEU 112 Cb 0.89 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2pnk h LEU 112 CO 1.03 0.33 0.36 1.56 -0.34 0.00 0.00 178.44 181.38 2pnk h GLN 113 N 0.56 0.72 -0.49 1.25 7.50 -2.00 -1.82 115.11 120.83 2pnk h GLN 113 Ca 0.22 -0.04 -0.11 0.00 0.50 0.00 0.00 58.65 59.21 2pnk h GLN 113 Cb 0.16 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 27.51 2pnk h GLN 113 CO -0.06 0.48 -0.15 0.28 -1.50 0.00 0.00 178.83 177.88 2pnk h VAL 114 N 0.74 1.27 -0.57 -0.54 2.07 -1.64 -2.78 116.25 114.81 2pnk h VAL 114 Ca 0.20 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.45 2pnk h VAL 114 Cb -0.09 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2pnk h VAL 114 CO -0.04 0.45 0.36 1.88 0.02 0.00 0.00 177.57 180.23 2pnk h TYR 115 N 0.83 0.68 -0.72 1.57 0.05 -1.12 -2.56 116.97 115.70 2pnk h TYR 115 Ca 0.12 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 2pnk h TYR 115 Cb 0.69 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.17 2pnk h TYR 115 CO 0.04 0.41 0.44 0.00 -1.05 0.00 0.00 178.16 178.01 2pnk h ARG 116 N 0.73 0.97 -0.72 4.88 3.08 -1.26 -1.91 114.38 120.15 2pnk h ARG 116 Ca 0.22 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.28 2pnk h ARG 116 Cb -0.04 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 29.75 2pnk h ARG 116 CO -0.07 0.67 0.47 0.93 -1.07 0.00 0.00 179.97 180.90 2pnk h GLU 117 N 0.99 0.61 -0.71 0.04 5.08 -1.17 -2.22 114.58 117.20 2pnk h GLU 117 Ca 0.26 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2pnk h GLU 117 Cb -0.06 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 2pnk h GLU 117 CO -0.05 0.40 0.45 -0.92 -1.00 0.00 0.00 179.01 177.89 2pnk h TYR 118 N 0.63 0.85 0.00 4.33 5.03 -1.22 -3.11 116.97 123.47 2pnk h TYR 118 Ca 0.33 0.02 -0.20 0.00 2.58 0.00 0.00 58.73 61.46 2pnk h TYR 118 Cb 0.45 -0.28 -0.03 0.00 1.55 0.00 0.00 36.73 38.42 2pnk h TYR 118 CO -0.00 0.50 -0.98 0.74 -1.32 0.00 0.00 178.16 177.10 2pnk h PHE 119 N 0.90 0.00 0.00 -3.82 0.04 -1.48 -3.22 116.94 109.36 2pnk h PHE 119 Ca 0.28 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.04 2pnk h PHE 119 Cb -0.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 2pnk h PHE 119 CO -0.04 0.93 -0.04 0.00 -0.60 0.00 0.00 178.31 178.56 2pnk h ALA 120 N 1.07 1.05 0.00 2.45 0.00 -1.41 -2.66 119.26 119.76 2pnk h ALA 120 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pnk h ALA 120 Cb 1.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2pnk h ALA 120 CO 0.12 0.05 0.00 0.87 0.00 0.00 0.00 179.25 180.28 2pnk h LYS 121 N 0.00 0.00 -6.22 0.00 1.57 -1.58 -3.47 116.57 106.87 2pnk h LYS 121 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2pnk h LYS 121 Cb 0.35 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.59 2pnk h LYS 121 CO 0.00 0.00 -0.57 0.15 -0.57 0.00 0.00 179.45 178.46 2pnk s LYS 122 N -3.27 2.76 0.45 3.15 1.02 -1.01 -5.13 119.74 117.71 2pnk s LYS 122 Ca 0.06 -1.07 -0.00 0.00 0.02 0.00 0.00 55.97 54.98 2pnk s LYS 122 Cb 0.06 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.87 2pnk s LYS 122 CO 0.64 0.42 0.68 0.95 -0.92 0.00 0.00 175.35 177.13 2pnk s THR 123 N -2.01 4.12 0.25 2.17 -4.23 -1.26 -4.99 115.64 109.69 2pnk s THR 123 Ca 0.31 -0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 60.35 2pnk s THR 123 Cb -0.08 -3.53 0.23 0.00 1.34 0.00 0.00 72.50 70.46 2pnk s THR 123 CO 0.23 -0.39 1.84 0.28 -0.54 0.00 0.00 174.62 176.04 2pnk h SER 124 N 0.39 0.82 -0.38 3.99 0.02 -1.97 -1.94 113.55 114.49 2pnk h SER 124 Ca -0.46 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.48 2pnk h SER 124 Cb 1.25 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 2pnk h SER 124 CO 0.58 0.49 0.07 -0.33 -1.14 0.00 0.00 176.83 176.50 2pnk h GLU 125 N 0.94 0.63 -0.41 3.45 3.07 -1.95 -1.12 114.58 119.18 2pnk h GLU 125 Ca 0.41 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 59.10 2pnk h GLU 125 Cb 0.30 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 2pnk h GLU 125 CO -0.22 0.68 0.21 0.93 -1.40 0.00 0.00 179.01 179.21 2pnk h GLU 126 N 0.48 0.58 -0.21 2.33 5.08 -1.89 -1.86 114.58 119.09 2pnk h GLU 126 Ca 0.12 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 2pnk h GLU 126 Cb 0.35 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2pnk h GLU 126 CO 0.01 0.49 -0.33 0.37 -1.00 0.00 0.00 179.01 178.54 2pnk h GLN 127 N 0.52 0.43 -0.58 2.33 5.75 -1.20 -0.54 115.11 121.82 2pnk h GLN 127 Ca 0.14 -0.18 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 2pnk h GLN 127 Cb 0.09 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 2pnk h GLN 127 CO -0.02 0.71 0.22 0.28 -2.65 0.00 0.00 178.83 177.37 2pnk h VAL 128 N 0.37 1.23 -0.24 2.39 2.07 -1.05 0.18 116.25 121.19 2pnk h VAL 128 Ca 0.04 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.85 2pnk h VAL 128 Cb 0.76 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2pnk h VAL 128 CO 0.06 0.28 0.11 0.44 0.02 0.00 0.00 177.57 178.48 2pnk h ASP 129 N 0.81 0.16 -0.04 0.57 3.32 -0.95 -2.04 116.42 118.25 2pnk h ASP 129 Ca 0.19 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2pnk h ASP 129 Cb 0.22 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2pnk h ASP 129 CO -0.01 0.13 0.02 0.74 -1.72 0.00 0.00 179.24 178.39 2pnk h THR 130 N 0.24 1.11 -0.49 0.35 2.02 -0.85 -2.58 112.91 112.71 2pnk h THR 130 Ca 0.10 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 2pnk h THR 130 Cb 0.03 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2pnk h THR 130 CO -0.08 0.09 -0.13 0.58 0.37 0.00 0.00 175.52 176.36 2pnk h VAL 131 N -0.07 1.27 -0.32 3.16 2.07 -0.60 -0.71 116.25 121.05 2pnk h VAL 131 Ca 0.01 -1.27 -0.10 0.00 0.82 0.00 0.00 66.70 66.16 2pnk h VAL 131 Cb 0.13 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2pnk h VAL 131 CO -0.00 0.44 -0.23 -0.07 0.02 0.00 0.00 177.57 177.73 2pnk h LEU 132 N 0.81 0.63 0.11 2.57 3.38 -1.41 0.99 115.31 122.38 2pnk h LEU 132 Ca 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2pnk h LEU 132 Cb 0.69 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2pnk h LEU 132 CO 0.05 0.85 -0.05 -0.61 0.09 0.00 0.00 178.44 178.77 2pnk h GLN 133 N 0.55 -0.14 -0.65 1.13 4.15 -1.32 -0.89 115.11 117.94 2pnk h GLN 133 Ca 0.08 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 2pnk h GLN 133 Cb 0.69 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.38 2pnk h GLN 133 CO 0.05 0.11 0.40 -0.07 -1.93 0.00 0.00 178.83 177.39 2pnk h LEU 134 N -0.38 0.77 -0.69 -2.39 3.38 -0.89 -2.22 115.31 112.89 2pnk h LEU 134 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2pnk h LEU 134 Cb 0.31 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2pnk h LEU 134 CO 0.02 0.59 -0.14 0.00 0.09 0.00 0.00 178.44 179.00 2pnk n ALA 135 N -2.44 2.85 -3.93 1.53 0.00 0.32 -4.96 120.51 113.88 2pnk n ALA 135 Ca 0.07 -0.42 -0.30 0.00 0.00 0.00 0.00 53.44 52.79 2pnk n ALA 135 Cb 0.06 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.31 -1.78 -4.27 0.00 5.15 -0.45 -4.81 115.26 108.78 2pnk n ASN 136 Ca 0.15 -1.07 -0.35 0.00 -0.60 0.00 0.00 54.58 52.72 2pnk n ASN 136 Cb 0.35 -2.86 -0.14 0.00 -0.53 0.00 0.00 39.78 36.60 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 -3.84 3.17 -0.07 3.44 1.01 -0.54 -0.59 120.40 122.99 2pnk s VAL 137 Ca 0.17 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2pnk s VAL 137 Cb -0.07 -2.47 -0.25 0.00 0.00 0.00 0.00 36.38 33.59 2pnk s VAL 137 CO 0.90 0.39 0.58 0.77 0.00 0.00 0.00 175.10 177.74 2pnk h SER 138 N 8.08 0.24 -3.55 3.32 4.64 -0.83 -3.44 113.55 122.01 2pnk h SER 138 Ca -0.40 -0.50 -0.28 0.00 -0.47 0.00 0.00 61.79 60.14 2pnk h SER 138 Cb 1.15 -0.08 -0.32 0.00 -0.31 0.00 0.00 62.40 62.84 2pnk h SER 138 CO 0.60 1.44 -0.71 -1.81 -0.87 0.00 0.00 176.83 175.49 2pnk s ASP 139 N -6.65 0.03 -0.15 4.97 1.01 -1.10 -4.70 116.67 110.08 2pnk s ASP 139 Ca -0.13 0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.21 2pnk s ASP 139 Cb 0.07 -0.01 -0.00 0.00 1.01 0.00 0.00 42.92 43.98 2pnk s ASP 139 CO 0.81 -0.11 -0.15 -0.69 0.21 0.00 0.00 175.17 175.24 2pnk s VAL 140 N 0.88 2.73 0.53 -1.27 1.01 0.52 -1.11 120.40 123.68 2pnk s VAL 140 Ca -0.07 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.19 2pnk s VAL 140 Cb -0.10 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.16 2pnk s VAL 140 CO -0.03 0.52 0.74 -0.69 0.00 0.00 0.00 175.10 175.63 2pnk s VAL 141 N 0.73 2.68 -0.18 2.92 1.01 0.37 -0.09 120.40 127.84 2pnk s VAL 141 Ca -0.06 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2pnk s VAL 141 Cb -0.15 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.38 2pnk s VAL 141 CO 0.01 0.00 0.01 -0.89 0.00 0.00 0.00 175.10 174.24 2pnk s THR 143 N -2.67 0.64 -0.27 3.92 2.01 -0.78 -0.97 115.64 117.51 2pnk s THR 143 Ca 0.58 -0.52 -0.05 0.00 0.31 0.00 0.00 61.69 62.01 2pnk s THR 143 Cb -0.09 -1.05 0.01 0.00 0.01 0.00 0.00 72.50 71.38 2pnk s THR 143 CO 0.37 -0.10 0.03 0.20 -0.69 0.00 0.00 174.62 174.43 2pnk s ASN 144 N 1.82 4.82 -0.38 3.53 -0.87 0.39 -4.96 114.94 119.28 2pnk s ASN 144 Ca -0.00 -0.74 -0.08 0.00 -1.57 0.00 0.00 52.86 50.47 2pnk s ASN 144 Cb -0.16 -1.80 0.06 0.00 -0.02 0.00 0.00 41.25 39.33 2pnk s ASN 144 CO -0.07 -0.16 0.19 -0.62 -2.57 0.00 0.00 177.10 173.86 2pnk s ASP 145 N 1.44 5.48 0.00 -1.22 -1.08 -1.26 0.23 116.67 120.25 2pnk s ASP 145 Ca 0.02 -1.37 0.16 0.00 -0.52 0.00 0.00 52.55 50.84 2pnk s ASP 145 Cb -0.17 -1.93 0.74 0.00 -1.46 0.00 0.00 42.92 40.10 2pnk s ASP 145 CO -0.00 -0.44 1.50 -0.81 0.52 0.00 0.00 175.17 175.94 2pnk n PRO 146 N 4.85 0.09 0.08 4.34 -0.04 -1.26 -2.31 135.00 140.75 2pnk n PRO 146 Ca -0.10 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 2pnk n PRO 146 Cb 0.44 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.57 2pnk n PRO 146 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2pnk h PHE 147 N 0.00 0.00 -3.14 0.54 0.04 -1.93 -3.43 116.94 109.02 2pnk h PHE 147 Ca 0.00 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.19 2pnk h PHE 147 Cb 0.23 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.32 2pnk h PHE 147 CO 0.00 0.00 0.76 0.34 -0.60 0.00 0.00 178.31 178.81 2pnk s ASP 148 N -4.51 7.04 0.23 2.17 -1.08 -0.98 -4.94 116.67 114.60 2pnk s ASP 148 Ca 0.06 1.29 -0.07 0.00 -0.52 0.00 0.00 52.55 53.30 2pnk s ASP 148 Cb 0.12 -2.53 0.26 0.00 -1.46 0.00 0.00 42.92 39.32 2pnk s ASP 148 CO 0.72 -0.68 1.86 0.44 0.52 0.00 0.00 175.17 178.03 2pnk h ASP 149 N 7.57 0.85 -0.12 -0.34 3.32 -1.88 0.11 116.42 125.93 2pnk h ASP 149 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2pnk h ASP 149 Cb 1.06 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 2pnk h ASP 149 CO 0.97 0.57 0.08 0.78 -1.72 0.00 0.00 179.24 179.92 2pnk h ASN 150 N 0.99 0.13 -0.29 6.45 2.35 -1.95 -3.02 115.58 120.24 2pnk h ASN 150 Ca 0.33 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.92 2pnk h ASN 150 Cb 0.05 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2pnk h ASN 150 CO -0.13 0.10 -0.42 -0.33 -1.65 0.00 0.00 177.43 175.01 2pnk h GLU 151 N 0.15 0.85 -0.13 0.81 5.08 -1.78 -3.23 114.58 116.34 2pnk h GLU 151 Ca 0.04 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 57.91 2pnk h GLU 151 Cb -0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2pnk h GLU 151 CO -0.01 1.10 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.91 2pnk h ARG 152 N 0.69 0.19 -0.22 2.33 2.43 -0.71 -2.87 114.38 116.21 2pnk h ARG 152 Ca 0.05 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2pnk h ARG 152 Cb 0.99 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 2pnk h ARG 152 CO 0.10 0.30 0.13 0.82 -1.51 0.00 0.00 179.97 179.80 2pnk h ILE 153 N 0.18 1.09 -0.34 1.20 2.04 -1.54 -1.49 117.51 118.65 2pnk h ILE 153 Ca 0.04 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.70 2pnk h ILE 153 Cb 0.29 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2pnk h ILE 153 CO 0.02 0.09 0.14 0.28 0.00 0.00 0.00 178.15 178.68 2pnk h SER 154 N 0.26 0.18 -0.64 1.72 0.02 -1.65 0.15 113.55 113.59 2pnk h SER 154 Ca 0.08 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2pnk h SER 154 Cb 0.03 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2pnk h SER 154 CO -0.01 0.14 0.23 -0.50 -1.14 0.00 0.00 176.83 175.55 2pnk h TRP 155 N 0.30 1.01 -0.11 3.45 4.06 -1.52 -1.36 115.95 121.78 2pnk h TRP 155 Ca 0.15 -0.09 -0.14 0.00 2.06 0.00 0.00 58.89 60.88 2pnk h TRP 155 Cb 0.10 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 27.95 2pnk h TRP 155 CO -0.12 0.80 -0.53 -0.07 -3.56 0.00 0.00 178.44 174.96 2pnk h LEU 156 N 0.92 0.33 0.00 -4.49 3.38 -0.68 -2.43 115.31 112.33 2pnk h LEU 156 Ca 0.21 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2pnk h LEU 156 Cb 0.25 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2pnk h LEU 156 CO -0.01 0.79 0.00 -0.62 0.09 0.00 0.00 178.44 178.69 2pnk n GLU 157 N -3.94 0.98 -0.60 1.13 1.02 0.48 -4.88 120.64 114.83 2pnk n GLU 157 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2pnk n GLU 157 Cb 0.57 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 2pnk n GLU 157 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pnk n GLY 158 N 0.69 0.70 3.68 0.62 0.00 -0.91 -5.02 105.19 104.95 2pnk n GLY 158 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2pnk n GLY 158 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2pnk n LYS 159 N -2.60 2.67 -4.46 1.61 3.00 -0.54 -5.00 118.16 112.85 2pnk n LYS 159 Ca 0.00 0.97 -0.34 0.00 -0.00 0.00 0.00 58.31 58.94 2pnk n LYS 159 Cb 0.00 -2.86 -0.11 0.00 0.00 0.00 0.00 35.03 32.06 2pnk n LYS 159 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2pnk s GLN 160 N 2.92 3.20 0.52 1.64 -1.52 -1.26 -4.59 119.66 120.57 2pnk s GLN 160 Ca 0.84 -0.49 -0.22 0.00 -1.95 0.00 0.00 55.36 53.53 2pnk s GLN 160 Cb -0.52 -2.78 -0.06 0.00 -0.22 0.00 0.00 33.01 29.43 2pnk s GLN 160 CO 0.40 0.50 1.32 -1.25 -0.25 0.00 0.00 175.29 176.01 2pnk s PRO 161 N -0.35 3.30 0.32 2.91 0.04 -1.26 -4.97 135.00 134.99 2pnk s PRO 161 Ca 0.06 2.14 -0.26 0.00 0.04 0.00 0.00 61.00 62.98 2pnk s PRO 161 Cb -0.12 -2.31 -0.14 0.00 0.04 0.00 0.00 34.50 31.97 2pnk s PRO 161 CO 0.02 -1.03 0.66 -3.47 0.04 0.00 0.00 177.00 173.22 2pnk n ASP 162 N -0.87 -0.38 0.12 6.66 -0.08 -1.26 -4.88 116.55 115.86 2pnk n ASP 162 Ca 0.09 1.05 0.09 0.00 -1.51 0.00 0.00 54.79 54.51 2pnk n ASP 162 Cb 0.46 -1.12 0.44 0.00 2.34 0.00 0.00 41.12 43.24 2pnk n ASP 162 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2pnk n SER 163 N 1.49 0.44 0.02 1.67 3.41 -1.26 -0.47 113.62 118.92 2pnk n SER 163 Ca 0.13 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.55 2pnk n SER 163 Cb 0.33 -0.75 0.45 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.06 0.07 -4.73 4.33 1.74 -1.26 -4.42 116.66 110.32 2pnk n ARG 164 Ca -0.00 0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.79 2pnk n ARG 164 Cb 0.07 -1.56 -0.13 0.00 -1.02 0.00 0.00 32.46 29.82 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 -3.03 2.83 0.16 -1.55 0.40 0.38 -0.36 117.98 116.81 2pnk s PHE 165 Ca 0.12 -0.36 0.11 0.00 -0.60 0.00 0.00 56.93 56.19 2pnk s PHE 165 Cb 0.17 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 2pnk s PHE 165 CO 0.60 0.00 -0.24 -1.01 0.70 0.00 0.00 175.22 175.27 2pnk s HIS 166 N -0.11 2.22 0.17 0.36 3.76 0.87 -4.70 115.29 117.86 2pnk s HIS 166 Ca -0.01 -0.38 -0.15 0.00 -0.15 0.00 0.00 55.06 54.38 2pnk s HIS 166 Cb -0.14 -1.15 -0.07 0.00 1.11 0.00 0.00 32.58 32.33 2pnk s HIS 166 CO 0.03 0.39 0.58 0.00 -0.85 0.00 0.00 174.74 174.90 2pnk s ALA 167 N -1.40 3.54 -0.03 -1.40 0.00 -1.26 -4.40 121.76 116.81 2pnk s ALA 167 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 2pnk s ALA 167 Cb -0.09 -2.57 0.03 0.00 0.00 0.00 0.00 23.12 20.50 2pnk s ALA 167 CO 0.07 0.44 0.04 0.00 0.00 0.00 0.00 175.76 176.31 2pnk s ALA 168 N -1.53 0.14 -0.47 0.00 0.00 -1.26 -1.01 121.76 117.62 2pnk s ALA 168 Ca 0.40 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.37 2pnk s ALA 168 Cb -0.15 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.64 2pnk s ALA 168 CO 0.20 -0.22 0.94 -1.17 0.00 0.00 0.00 175.76 175.50 2pnk s LEU 169 N 1.41 3.98 -0.11 0.00 2.96 -0.81 -0.46 118.68 125.65 2pnk s LEU 169 Ca -0.05 0.10 -0.28 0.00 -0.22 0.00 0.00 54.13 53.68 2pnk s LEU 169 Cb -0.13 -3.19 -0.02 0.00 0.50 0.00 0.00 46.19 43.36 2pnk s LEU 169 CO -0.03 -1.08 0.93 -0.60 -1.32 0.00 0.00 176.35 174.25 2pnk s ARG 170 N 3.83 4.40 -0.02 1.98 3.52 0.14 -0.72 118.95 132.08 2pnk s ARG 170 Ca 0.37 1.25 0.06 0.00 -0.13 0.00 0.00 55.73 57.29 2pnk s ARG 170 Cb -0.10 -3.54 0.16 0.00 -1.56 0.00 0.00 34.95 29.91 2pnk s ARG 170 CO 0.26 -0.26 1.12 1.28 -0.81 0.00 0.00 175.30 176.89 2pnk n LEU 171 N 4.87 2.46 -0.16 -0.88 4.77 0.11 -4.43 117.00 123.73 2pnk n LEU 171 Ca 0.07 -2.14 -0.03 0.00 -0.03 0.00 0.00 56.01 53.87 2pnk n LEU 171 Cb 0.49 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2pnk n LEU 171 CO 0.51 0.61 0.73 0.44 -1.33 0.00 0.00 177.39 178.34 2pnk h ASP 172 N 0.81 -0.63 0.19 -1.43 5.19 -1.93 -0.49 116.42 118.13 2pnk h ASP 172 Ca 0.00 0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2pnk h ASP 172 Cb 0.67 0.37 -0.00 0.00 0.18 0.00 0.00 39.33 40.55 2pnk h ASP 172 CO 0.01 -0.21 -0.16 -0.65 -3.12 0.00 0.00 179.24 175.11 2pnk h PRO 173 N -0.06 0.00 -0.06 3.56 0.11 -1.95 0.20 132.00 133.80 2pnk h PRO 173 Ca 0.24 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.19 2pnk h PRO 173 Cb 0.43 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.55 2pnk h PRO 173 CO -0.55 0.16 -0.57 1.25 -0.21 0.00 0.00 178.00 178.08 2pnk h LEU 174 N 0.00 0.61 0.21 2.35 5.85 -1.45 -2.77 115.31 120.11 2pnk h LEU 174 Ca -0.00 -0.69 -0.35 0.00 0.84 0.00 0.00 57.88 57.69 2pnk h LEU 174 Cb 0.30 -0.18 0.02 0.00 0.37 0.00 0.00 40.66 41.16 2pnk h LEU 174 CO 0.02 1.21 -1.66 -0.07 -0.34 0.00 0.00 178.44 177.60 2pnk h LEU 175 N 0.07 0.68 0.00 2.25 3.38 -1.02 -3.25 115.31 117.42 2pnk h LEU 175 Ca -0.05 -0.91 -0.00 0.00 0.09 0.00 0.00 57.88 57.01 2pnk h LEU 175 Cb 1.24 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2pnk h LEU 175 CO 0.12 1.75 -1.65 0.59 0.09 0.00 0.00 178.44 179.33 2pnk n ASN 176 N -3.62 0.30 -2.43 -0.43 3.02 0.68 -3.81 115.26 108.97 2pnk n ASN 176 Ca -0.22 0.12 -0.06 0.00 -0.03 0.00 0.00 54.58 54.39 2pnk n ASN 176 Cb 1.08 1.45 0.05 0.00 -0.61 0.00 0.00 39.78 41.75 2pnk n ASN 176 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pnk n GLU 177 N -2.41 2.08 -0.02 3.52 1.02 -1.05 -4.92 120.64 118.86 2pnk n GLU 177 Ca -0.03 -3.55 0.08 0.00 -0.02 0.00 0.00 57.16 53.65 2pnk n GLU 177 Cb 0.57 -1.65 0.48 0.00 -0.02 0.00 0.00 31.44 30.82 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 2.30 0.42 -0.41 -0.32 3.20 -1.59 0.23 116.97 120.80 2pnk h TYR 178 Ca -0.01 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2pnk h TYR 178 Cb 1.38 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 2pnk h TYR 178 CO 0.57 0.24 0.09 1.49 -1.64 0.00 0.00 178.16 178.91 2pnk h GLU 179 N 0.43 0.62 0.05 1.82 4.57 -1.90 0.37 114.58 120.54 2pnk h GLU 179 Ca 0.20 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 58.18 2pnk h GLU 179 Cb 0.24 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2pnk h GLU 179 CO -0.05 0.57 -0.38 1.96 -1.18 0.00 0.00 179.01 179.93 2pnk h GLN 180 N 0.60 0.11 -0.30 1.92 7.50 -1.70 -3.38 115.11 119.86 2pnk h GLN 180 Ca 0.14 -0.19 -0.04 0.00 0.50 0.00 0.00 58.65 59.06 2pnk h GLN 180 Cb 0.25 0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.83 2pnk h GLN 180 CO -0.00 1.09 0.03 1.15 -1.50 0.00 0.00 178.83 179.60 2pnk h THR 181 N -0.76 1.17 -0.98 -0.54 2.02 -0.72 -2.94 112.91 110.15 2pnk h THR 181 Ca -0.07 -0.63 0.33 0.00 0.77 0.00 0.00 66.41 66.81 2pnk h THR 181 Cb 1.26 0.91 -0.18 0.00 -1.74 0.00 0.00 68.15 68.40 2pnk h THR 181 CO 0.05 0.22 0.30 0.50 0.37 0.00 0.00 175.52 176.95 2pnk h LYS 182 N 0.44 0.05 0.00 6.66 3.64 -0.44 -0.95 116.57 125.97 2pnk h LYS 182 Ca 0.10 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.28 2pnk h LYS 182 Cb 0.24 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2pnk h LYS 182 CO 0.00 0.03 -0.87 0.45 -2.27 0.00 0.00 179.45 176.79 2pnk h HIS 183 N 0.05 0.30 -0.23 1.91 3.86 -1.76 -2.14 115.15 117.14 2pnk h HIS 183 Ca 0.71 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.74 2pnk h HIS 183 Cb 1.68 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 30.11 2pnk h HIS 183 CO -0.24 0.97 0.06 0.00 0.86 0.00 0.00 177.93 179.59 2pnk h ARG 184 N 0.11 0.36 -0.84 2.45 3.08 -1.36 -2.46 114.38 115.73 2pnk h ARG 184 Ca -0.04 -0.08 0.12 0.00 0.07 0.00 0.00 59.98 60.05 2pnk h ARG 184 Cb 1.50 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 31.41 2pnk h ARG 184 CO 0.13 0.46 0.45 -0.07 -1.07 0.00 0.00 179.97 179.88 2pnk h LEU 185 N 0.19 0.60 -0.34 3.04 3.38 -1.16 -1.57 115.31 119.46 2pnk h LEU 185 Ca 0.07 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2pnk h LEU 185 Cb 0.25 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2pnk h LEU 185 CO -0.00 0.30 0.17 0.03 0.09 0.00 0.00 178.44 179.04 2pnk h ARG 186 N 0.71 0.48 0.00 1.13 3.08 -1.22 0.14 114.38 118.69 2pnk h ARG 186 Ca 0.43 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2pnk h ARG 186 Cb 0.51 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2pnk h ARG 186 CO -0.30 0.42 0.00 -0.40 -1.07 0.00 0.00 179.97 178.62 2pnk n ASP 187 N -4.76 0.00 -0.36 7.04 5.68 -0.85 -1.04 116.55 122.25 2pnk n ASP 187 Ca -0.01 0.05 0.14 0.00 -0.50 0.00 0.00 54.79 54.47 2pnk n ASP 187 Cb 0.09 -0.34 0.58 0.00 -1.14 0.00 0.00 41.12 40.32 2pnk n ASP 187 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2pnk n TRP 188 N -1.34 0.00 -0.32 2.11 8.01 -0.65 -4.95 117.44 120.30 2pnk n TRP 188 Ca 0.11 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.30 2pnk n TRP 188 Cb 0.25 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.52 2pnk n TRP 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2pnk n GLY 189 N 1.17 0.84 3.53 6.99 0.00 -0.21 -5.04 105.19 112.47 2pnk n GLY 189 Ca 0.19 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 2pnk n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pnk s TYR 190 N -2.00 3.04 -1.47 1.61 2.02 0.44 -4.96 117.35 116.03 2pnk s TYR 190 Ca 0.00 0.09 -0.10 0.00 -0.37 0.00 0.00 57.07 56.68 2pnk s TYR 190 Cb 0.00 -3.49 0.03 0.00 -0.40 0.00 0.00 41.96 38.10 2pnk s TYR 190 CO 0.00 -0.91 2.47 1.63 -1.57 0.00 0.00 175.55 177.17 2pnk n LYS 191 N 6.47 3.62 -2.33 -0.62 4.76 -1.26 -3.13 118.16 125.67 2pnk n LYS 191 Ca 0.00 -2.77 -0.41 0.00 -2.87 0.00 0.00 58.31 52.26 2pnk n LYS 191 Cb 0.48 -2.93 -0.03 0.00 -1.84 0.00 0.00 35.03 30.71 2pnk n LYS 191 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2pnk s VAL 192 N 1.53 3.31 0.44 -0.18 -7.23 -1.26 -4.51 120.40 112.50 2pnk s VAL 192 Ca 0.55 1.21 0.02 0.00 -1.81 0.00 0.00 61.98 61.96 2pnk s VAL 192 Cb 0.16 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.32 2pnk s VAL 192 CO -0.06 0.25 0.64 0.20 -0.31 0.00 0.00 175.10 175.82 2pnk s ASN 193 N -0.33 5.77 0.26 4.85 0.01 -1.26 -4.97 114.94 119.27 2pnk s ASN 193 Ca 0.50 0.12 -0.04 0.00 -0.71 0.00 0.00 52.86 52.73 2pnk s ASN 193 Cb -0.34 -1.34 0.33 0.00 0.41 0.00 0.00 41.25 40.30 2pnk s ASN 193 CO 0.42 -0.72 1.86 0.44 -1.51 0.00 0.00 177.10 177.59 2pnk h ASP 194 N 0.45 0.96 -3.65 -1.22 3.32 -2.02 -3.42 116.42 110.83 2pnk h ASP 194 Ca -0.45 -0.11 -0.51 0.00 0.02 0.00 0.00 57.03 55.98 2pnk h ASP 194 Cb 1.26 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 2pnk h ASP 194 CO 0.55 0.82 0.16 -1.61 -1.72 0.00 0.00 179.24 177.43 2pnk s GLU 195 N -5.58 4.29 -1.03 3.56 8.01 -1.26 -5.01 118.70 121.68 2pnk s GLU 195 Ca -0.11 0.95 -0.21 0.00 0.01 0.00 0.00 54.97 55.60 2pnk s GLU 195 Cb 0.16 -2.81 0.08 0.00 -4.31 0.00 0.00 34.13 27.26 2pnk s GLU 195 CO 0.81 0.34 1.39 -0.46 0.01 0.00 0.00 175.26 177.35 2pnk s TRP 196 N -1.59 2.77 0.19 1.61 -0.11 -1.26 -4.70 118.94 115.85 2pnk s TRP 196 Ca 0.46 -1.14 0.00 0.00 1.22 0.00 0.00 56.10 56.64 2pnk s TRP 196 Cb -0.16 -4.57 -0.00 0.00 -1.50 0.00 0.00 33.47 27.24 2pnk s TRP 196 CO 0.21 -1.77 0.01 0.27 -4.62 0.00 0.00 176.95 171.05 2pnk n ASN 197 N 8.00 2.20 -0.32 5.86 0.23 -1.26 -4.99 115.26 124.98 2pnk n ASN 197 Ca 0.32 -1.87 0.05 0.00 -0.53 0.00 0.00 54.58 52.55 2pnk n ASN 197 Cb 0.50 0.20 0.20 0.00 -2.08 0.00 0.00 39.78 38.60 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 0.85 -0.39 -3.83 -0.00 -1.99 -1.15 114.58 108.06 2pnk h GLU 198 Ca -0.16 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.36 59.14 2pnk h GLU 198 Cb 0.50 -0.19 -0.02 0.00 -0.00 0.00 0.00 28.75 29.04 2pnk h GLU 198 CO 0.26 0.56 0.18 0.78 -0.00 0.00 0.00 179.01 180.79 2pnk h GLY 199 N 0.87 0.61 1.02 1.06 0.00 -1.94 0.11 103.07 104.79 2pnk h GLY 199 Ca 0.45 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 2pnk h GLY 199 CO -0.26 0.29 0.38 1.76 0.00 0.00 0.00 176.54 178.71 2pnk h SER 200 N 0.49 0.98 0.13 0.19 0.02 -1.68 -1.23 113.55 112.45 2pnk h SER 200 Ca 0.13 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2pnk h SER 200 Cb 0.14 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2pnk h SER 200 CO -0.02 0.83 -0.06 0.40 -1.14 0.00 0.00 176.83 176.84 2pnk h ILE 201 N 1.06 0.94 -0.45 3.27 2.04 -0.91 -1.65 117.51 121.82 2pnk h ILE 201 Ca 0.26 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2pnk h ILE 201 Cb 0.10 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2pnk h ILE 201 CO -0.04 0.07 0.10 1.56 0.00 0.00 0.00 178.15 179.84 2pnk h GLN 202 N -0.30 0.68 -0.03 2.37 1.08 -0.67 -1.63 115.11 116.60 2pnk h GLN 202 Ca -0.02 -0.13 -0.21 0.00 -1.45 0.00 0.00 58.65 56.85 2pnk h GLN 202 Cb 0.24 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2pnk h GLN 202 CO 0.03 0.63 -0.86 0.93 -0.95 0.00 0.00 178.83 178.60 2pnk h GLU 203 N 0.66 0.38 -0.33 1.46 4.39 -1.18 -0.76 114.58 119.19 2pnk h GLU 203 Ca 0.15 -0.38 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 2pnk h GLU 203 Cb 0.27 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2pnk h GLU 203 CO -0.00 1.04 -0.07 0.28 -1.16 0.00 0.00 179.01 179.11 2pnk h VAL 204 N 0.23 1.28 -0.79 3.13 2.07 -1.16 -2.03 116.25 118.98 2pnk h VAL 204 Ca -0.06 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.40 2pnk h VAL 204 Cb 1.48 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 2pnk h VAL 204 CO 0.15 0.36 0.52 0.11 0.02 0.00 0.00 177.57 178.73 2pnk h LYS 205 N 0.42 0.92 -0.46 1.57 1.57 -1.26 -1.19 116.57 118.15 2pnk h LYS 205 Ca 0.09 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 2pnk h LYS 205 Cb 0.56 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2pnk h LYS 205 CO 0.03 0.61 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.30 2pnk h ARG 206 N 0.95 0.84 -0.08 3.15 2.43 -0.97 0.58 114.38 121.29 2pnk h ARG 206 Ca 0.32 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2pnk h ARG 206 Cb 0.08 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2pnk h ARG 206 CO -0.10 0.92 0.05 0.35 -1.51 0.00 0.00 179.97 179.68 2pnk h PHE 207 N 0.76 0.10 -0.31 2.20 3.57 -0.77 0.14 116.94 122.62 2pnk h PHE 207 Ca 0.12 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2pnk h PHE 207 Cb 0.63 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2pnk h PHE 207 CO 0.04 0.10 0.18 -0.07 -2.23 0.00 0.00 178.31 176.33 2pnk h LEU 208 N 0.07 0.38 -0.76 0.59 3.38 -1.03 -2.48 115.31 115.46 2pnk h LEU 208 Ca 0.03 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2pnk h LEU 208 Cb 0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2pnk h LEU 208 CO -0.01 0.34 0.14 0.74 0.09 0.00 0.00 178.44 179.74 2pnk h THR 209 N 0.40 1.26 -0.66 0.22 2.02 -0.78 -0.42 112.91 114.95 2pnk h THR 209 Ca 0.11 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 2pnk h THR 209 Cb 0.03 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 2pnk h THR 209 CO -0.02 0.37 0.29 0.44 0.37 0.00 0.00 175.52 176.97 2pnk h ASP 210 N 1.02 0.86 1.20 4.18 3.32 -0.64 -0.89 116.42 125.47 2pnk h ASP 210 Ca 0.21 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 2pnk h ASP 210 Cb 0.39 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2pnk h ASP 210 CO 0.01 0.75 -0.81 -0.50 -1.72 0.00 0.00 179.24 176.96 2pnk h TRP 211 N 0.93 0.00 -0.35 4.55 4.06 -1.10 -1.87 115.95 122.18 2pnk h TRP 211 Ca 0.23 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.15 2pnk h TRP 211 Cb 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 2pnk h TRP 211 CO 0.01 0.78 0.12 0.82 -3.56 0.00 0.00 178.44 176.60 2pnk h ILE 212 N 0.00 1.20 -0.83 1.49 2.04 -0.93 -3.04 117.51 117.44 2pnk h ILE 212 Ca -0.02 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.20 2pnk h ILE 212 Cb 1.61 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.62 2pnk h ILE 212 CO 0.10 0.23 0.55 -0.33 0.00 0.00 0.00 178.15 178.70 2pnk h GLU 213 N 0.41 1.09 0.00 2.37 5.08 -1.09 -0.94 114.58 121.50 2pnk h GLU 213 Ca 0.11 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2pnk h GLU 213 Cb 0.23 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2pnk h GLU 213 CO -0.01 0.72 0.00 -2.13 -1.00 0.00 0.00 179.01 176.60 2pnk n ARG 214 N -4.51 0.58 0.00 2.33 0.63 -0.71 -5.03 116.66 109.96 2pnk n ARG 214 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 2pnk n ARG 214 Cb 0.02 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.51 2pnk n ARG 214 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2pnk n ASP 216 N -0.92 0.00 -4.79 6.15 2.03 -0.36 -5.09 116.55 113.58 2pnk n ASP 216 Ca 0.12 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.08 2pnk n ASP 216 Cb 0.05 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.43 2pnk n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2pnk s PRO 217 N 0.00 3.70 0.24 -0.67 0.04 -1.26 -4.60 135.00 132.44 2pnk s PRO 217 Ca 0.00 1.49 0.17 0.00 0.04 0.00 0.00 61.00 62.70 2pnk s PRO 217 Cb 0.00 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.45 2pnk s PRO 217 CO 0.00 -0.54 1.27 -0.39 0.04 0.00 0.00 177.00 177.38 2pnk h VAL 218 N 1.54 0.58 0.00 -0.36 -1.51 -1.46 -3.48 116.25 111.55 2pnk h VAL 218 Ca -0.50 -1.89 0.00 0.00 -1.23 0.00 0.00 66.70 63.08 2pnk h VAL 218 Cb 1.23 2.18 0.00 0.00 -2.13 0.00 0.00 31.29 32.58 2pnk h VAL 218 CO 0.59 0.33 0.00 0.00 -1.23 0.00 0.00 177.57 177.26 2pnk n TYR 219 N -3.07 0.00 0.00 5.19 0.18 -1.26 -4.21 117.16 113.98 2pnk n TYR 219 Ca -0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.77 2pnk n TYR 219 Cb 0.72 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.68 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 -3.22 -3.48 0.00 0.10 -1.92 120.51 108.99 2pnk n ALA 221 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2pnk n ALA 221 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2pnk n ALA 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pnk s VAL 222 N -2.00 0.03 -0.15 0.00 0.11 -0.13 -0.71 120.40 117.54 2pnk s VAL 222 Ca 0.00 -0.26 -0.12 0.00 -2.93 0.00 0.00 61.98 58.68 2pnk s VAL 222 Cb 0.00 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 2pnk s VAL 222 CO 0.00 -0.14 0.24 -0.44 -3.33 0.00 0.00 175.10 171.43 2pnk s SER 223 N -0.61 6.40 0.06 3.54 0.01 -1.26 -4.76 113.70 117.08 2pnk s SER 223 Ca -0.07 0.47 0.07 0.00 1.31 0.00 0.00 55.95 57.72 2pnk s SER 223 Cb -0.04 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 2pnk s SER 223 CO 0.02 0.19 -0.19 -0.76 0.41 0.00 0.00 173.24 172.91 2pnk s LEU 224 N 0.09 2.22 0.76 2.44 1.43 -1.26 -4.95 118.68 119.41 2pnk s LEU 224 Ca 0.15 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 2pnk s LEU 224 Cb -0.13 -0.81 0.04 0.00 0.03 0.00 0.00 46.19 45.32 2pnk s LEU 224 CO 0.03 0.07 1.11 -2.16 0.23 0.00 0.00 176.35 175.63 2pnk s PRO 225 N -1.46 2.44 0.51 1.29 0.04 -1.25 -0.62 135.00 135.94 2pnk s PRO 225 Ca 0.05 0.46 0.23 0.00 0.04 0.00 0.00 61.00 61.78 2pnk s PRO 225 Cb -0.09 -1.97 1.33 0.00 0.04 0.00 0.00 34.50 33.80 2pnk s PRO 225 CO 0.02 -1.33 1.99 -1.35 0.04 0.00 0.00 177.00 176.37 2pnk h PRO 226 N -0.87 0.07 -0.07 0.56 0.11 -1.78 -1.10 132.00 128.92 2pnk h PRO 226 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pnk h PRO 226 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2pnk h PRO 226 CO 0.63 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 178.71 2pnk n THR 227 N -4.40 0.00 -1.68 -1.15 -2.24 -1.26 -3.81 114.28 99.73 2pnk n THR 227 Ca 0.10 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.42 2pnk n THR 227 Cb 0.56 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.46 2.42 -4.35 4.78 7.35 -0.42 -4.99 117.46 121.79 2pnk n PHE 228 Ca 0.00 0.05 -0.21 0.00 -0.76 0.00 0.00 57.45 56.53 2pnk n PHE 228 Cb 0.02 -2.64 -0.13 0.00 0.35 0.00 0.00 39.48 37.07 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 2.35 1.80 -0.17 -2.13 0.01 -1.26 -4.65 113.70 109.65 2pnk s SER 229 Ca 0.83 -0.50 -0.12 0.00 1.31 0.00 0.00 55.95 57.47 2pnk s SER 229 Cb -0.61 -0.11 0.05 0.00 0.21 0.00 0.00 66.02 65.56 2pnk s SER 229 CO 0.41 0.03 0.44 0.12 0.41 0.00 0.00 173.24 174.65 2pnk s PHE 230 N -0.93 -0.57 0.87 2.43 2.19 -1.26 -4.41 117.98 116.29 2pnk s PHE 230 Ca 0.02 1.28 -0.11 0.00 0.33 0.00 0.00 56.93 58.45 2pnk s PHE 230 Cb -0.08 0.24 0.12 0.00 -1.31 0.00 0.00 43.02 41.98 2pnk s PHE 230 CO 0.02 -0.30 1.10 -2.14 1.83 0.00 0.00 175.22 175.72 2pnk s PRO 231 N 0.89 1.44 -0.26 10.12 0.02 -1.26 -4.21 135.00 141.74 2pnk s PRO 231 Ca -0.05 1.06 -0.14 0.00 0.02 0.00 0.00 61.00 61.89 2pnk s PRO 231 Cb -0.06 -1.81 0.08 0.00 0.02 0.00 0.00 34.50 32.73 2pnk s PRO 231 CO -0.07 -2.18 0.63 -2.00 -0.33 0.00 0.00 177.00 173.04 2pnk s GLU 232 N -4.85 0.63 -1.31 5.54 2.12 -1.26 -5.07 118.70 114.51 2pnk s GLU 232 Ca 0.63 1.16 -0.17 0.00 0.36 0.00 0.00 54.97 56.95 2pnk s GLU 232 Cb -0.19 0.17 0.08 0.00 0.26 0.00 0.00 34.13 34.45 2pnk s GLU 232 CO 0.57 -0.16 1.76 0.39 -0.54 0.00 0.00 175.26 177.29 2pnk n GLU 233 N 4.43 3.19 -4.17 4.30 -0.58 -1.26 -3.93 120.64 122.61 2pnk n GLU 233 Ca -0.20 -3.27 -0.14 0.00 -0.42 0.00 0.00 57.16 53.13 2pnk n GLU 233 Cb 0.57 -3.42 -0.08 0.00 -0.57 0.00 0.00 31.44 27.94 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 3.93 0.61 0.17 1.62 1.04 -1.26 -5.01 113.70 114.79 2pnk s SER 234 Ca 0.52 -1.43 -0.15 0.00 0.48 0.00 0.00 55.95 55.37 2pnk s SER 234 Cb 0.04 0.50 0.09 0.00 0.10 0.00 0.00 66.02 66.76 2pnk s SER 234 CO 0.05 -1.01 1.76 0.78 0.98 0.00 0.00 173.24 175.80 2pnk h ASN 235 N 2.37 0.20 -0.01 7.02 2.35 -1.91 -1.92 115.58 123.68 2pnk h ASN 235 Ca -0.31 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.49 2pnk h ASN 235 Cb 1.24 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 2pnk h ASN 235 CO 0.44 0.15 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.25 2pnk h ARG 236 N 0.34 -0.05 -0.89 0.81 2.43 -1.91 -1.03 114.38 114.09 2pnk h ARG 236 Ca 0.19 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 2pnk h ARG 236 Cb 0.15 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 2pnk h ARG 236 CO -0.17 -0.03 0.58 0.78 -1.51 0.00 0.00 179.97 179.62 2pnk h GLY 237 N -0.05 1.26 1.46 2.80 0.00 -1.65 -1.37 103.07 105.53 2pnk h GLY 237 Ca 0.02 -0.44 -0.24 0.00 0.00 0.00 0.00 47.33 46.66 2pnk h GLY 237 CO -0.04 0.40 -1.01 3.21 0.00 0.00 0.00 176.54 179.11 2pnk h ARG 238 N 1.13 0.47 -0.27 4.80 3.08 -1.10 -2.41 114.38 120.09 2pnk h ARG 238 Ca 0.34 -0.53 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 2pnk h ARG 238 Cb -0.02 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2pnk h ARG 238 CO -0.10 1.18 0.01 0.82 -1.07 0.00 0.00 179.97 180.81 2pnk h ILE 239 N 0.25 1.25 -0.46 2.04 2.04 -1.02 -0.42 117.51 121.20 2pnk h ILE 239 Ca -0.10 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2pnk h ILE 239 Cb 1.65 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 2pnk h ILE 239 CO 0.18 0.28 0.29 0.40 0.00 0.00 0.00 178.15 179.31 2pnk h ILE 240 N 0.26 1.13 -0.09 -0.67 2.04 -1.31 0.22 117.51 119.09 2pnk h ILE 240 Ca 0.08 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 2pnk h ILE 240 Cb 0.41 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2pnk h ILE 240 CO 0.01 0.13 -0.05 -0.09 0.00 0.00 0.00 178.15 178.15 2pnk h ARG 241 N 0.62 0.19 0.00 2.37 2.43 -1.37 -1.36 114.38 117.26 2pnk h ARG 241 Ca 0.17 -0.09 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 2pnk h ARG 241 Cb -0.04 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2pnk h ARG 241 CO -0.03 0.56 -1.71 -0.25 -1.51 0.00 0.00 179.97 177.03 2pnk n ASP 242 N -4.73 0.41 0.02 -3.80 8.00 -0.17 -4.50 116.55 111.77 2pnk n ASP 242 Ca -0.07 0.17 -0.01 0.00 0.71 0.00 0.00 54.79 55.59 2pnk n ASP 242 Cb 0.27 0.99 -0.00 0.00 -0.02 0.00 0.00 41.12 42.36 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 -0.09 -0.43 -0.51 0.00 6.46 -1.20 -2.47 115.31 117.07 2pnk h LEU 244 Ca -0.02 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.62 2pnk h LEU 244 Cb 0.42 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 2pnk h LEU 244 CO -0.01 -0.04 0.31 -0.07 -0.62 0.00 0.00 178.44 178.01 2pnk h LEU 245 N -0.91 0.50 -0.51 2.25 3.38 -1.48 0.17 115.31 118.70 2pnk h LEU 245 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2pnk h LEU 245 Cb 0.54 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2pnk h LEU 245 CO 0.09 0.35 0.32 -0.65 0.09 0.00 0.00 178.44 178.64 2pnk h PRO 246 N 0.61 0.68 -0.39 1.13 0.11 -1.79 -1.64 132.00 130.71 2pnk h PRO 246 Ca 0.20 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 2pnk h PRO 246 Cb 0.01 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 2pnk h PRO 246 CO -0.09 0.47 -0.21 0.28 -0.21 0.00 0.00 178.00 178.24 2pnk h VAL 247 N 0.69 1.27 -0.37 3.15 2.07 -0.91 -1.69 116.25 120.45 2pnk h VAL 247 Ca 0.18 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 2pnk h VAL 247 Cb -0.05 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2pnk h VAL 247 CO -0.04 0.44 0.09 0.00 0.02 0.00 0.00 177.57 178.08 2pnk h ALA 248 N 1.10 0.49 0.10 1.67 0.00 -0.64 -2.07 119.26 119.91 2pnk h ALA 248 Ca 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pnk h ALA 248 Cb 0.71 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2pnk h ALA 248 CO 0.05 0.16 -0.05 1.49 0.00 0.00 0.00 179.25 180.91 2pnk h GLU 249 N 0.45 -0.13 -0.56 0.00 4.81 -1.20 0.15 114.58 118.10 2pnk h GLU 249 Ca 0.12 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 2pnk h GLU 249 Cb 0.31 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 2pnk h GLU 249 CO 0.00 -0.09 0.26 -0.22 -0.73 0.00 0.00 179.01 178.24 2pnk h LYS 250 N -0.13 0.48 -0.03 1.92 3.64 -1.25 -1.49 116.57 119.70 2pnk h LYS 250 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2pnk h LYS 250 Cb 0.10 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2pnk h LYS 250 CO 0.02 0.32 0.00 0.72 -2.27 0.00 0.00 179.45 178.24 2pnk n HIS 251 N -4.91 0.02 -3.67 1.91 8.25 -0.78 -4.95 115.22 111.09 2pnk n HIS 251 Ca 0.06 -0.01 -0.21 0.00 -0.26 0.00 0.00 57.72 57.30 2pnk n HIS 251 Cb 0.19 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.34 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 0.23 -1.39 -4.32 0.41 5.15 0.27 -5.00 115.26 110.62 2pnk n ASN 252 Ca 0.19 -0.79 -0.33 0.00 -0.60 0.00 0.00 54.58 53.04 2pnk n ASN 252 Cb 0.36 -4.21 -0.15 0.00 -0.53 0.00 0.00 39.78 35.26 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 -3.62 2.95 0.74 -1.44 1.01 0.18 -4.85 121.20 116.16 2pnk s ILE 253 Ca 0.02 -0.68 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 2pnk s ILE 253 Cb -0.01 -2.26 0.04 0.00 0.01 0.00 0.00 42.46 40.24 2pnk s ILE 253 CO 0.80 0.50 1.12 -2.84 0.00 0.00 0.00 174.94 174.53 2pnk s PRO 254 N 0.72 2.31 -0.27 2.79 0.02 -1.26 -4.58 135.00 134.72 2pnk s PRO 254 Ca -0.06 1.39 -0.06 0.00 0.02 0.00 0.00 61.00 62.29 2pnk s PRO 254 Cb -0.15 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2pnk s PRO 254 CO 0.02 -1.63 0.04 0.12 -0.33 0.00 0.00 177.00 175.21 2pnk s PHE 255 N -2.52 3.09 0.35 6.54 5.36 -0.23 -4.54 117.98 126.04 2pnk s PHE 255 Ca 0.66 -0.96 0.02 0.00 -0.96 0.00 0.00 56.93 55.70 2pnk s PHE 255 Cb -0.21 -2.20 -0.02 0.00 -0.34 0.00 0.00 43.02 40.25 2pnk s PHE 255 CO 0.49 -0.56 0.53 0.00 -1.46 0.00 0.00 175.22 174.23 2pnk s ALA 256 N 1.49 3.87 -0.30 11.12 0.00 -1.26 -1.33 121.76 135.35 2pnk s ALA 256 Ca 0.03 -1.12 -0.23 0.00 0.00 0.00 0.00 51.96 50.64 2pnk s ALA 256 Cb -0.16 -1.96 0.19 0.00 0.00 0.00 0.00 23.12 21.18 2pnk s ALA 256 CO 0.01 -0.08 1.36 0.42 0.00 0.00 0.00 175.76 177.47 2pnk s ILE 259 N -2.30 0.00 0.00 0.00 1.01 -0.70 -0.96 121.20 118.26 2pnk s ILE 259 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2pnk s ILE 259 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2pnk s ILE 259 CO 0.34 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.89 2pnk n GLY 260 N 1.93 0.99 3.70 6.18 0.00 0.21 -1.05 105.19 117.15 2pnk n GLY 260 Ca -0.12 0.00 -0.41 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 -2.00 4.94 -0.42 1.61 0.11 -1.11 -1.68 120.40 121.85 2pnk s VAL 261 Ca 0.00 1.72 -0.13 0.00 -2.93 0.00 0.00 61.98 60.64 2pnk s VAL 261 Cb 0.00 -4.17 0.05 0.00 -1.53 0.00 0.00 36.38 30.73 2pnk s VAL 261 CO 0.00 0.16 0.29 -0.54 -3.33 0.00 0.00 175.10 171.68 2pnk s LYS 262 N 1.22 2.86 0.20 1.54 1.02 0.98 -3.96 119.74 123.59 2pnk s LYS 262 Ca 0.43 -1.20 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 2pnk s LYS 262 Cb -0.19 -3.91 -0.08 0.00 -0.52 0.00 0.00 37.83 33.14 2pnk s LYS 262 CO 0.20 -0.84 1.13 0.15 -0.92 0.00 0.00 175.35 175.07 2pnk s LYS 263 N 1.59 4.57 -1.25 1.68 -0.14 -1.26 -0.59 119.74 124.33 2pnk s LYS 263 Ca 0.03 1.79 -0.04 0.00 -1.36 0.00 0.00 55.97 56.39 2pnk s LYS 263 Cb -0.21 -3.25 -0.01 0.00 -1.68 0.00 0.00 37.83 32.68 2pnk s LYS 263 CO 0.07 0.04 0.73 0.54 -0.76 0.00 0.00 175.35 175.97 2pnk n ARG 264 N 2.20 -3.96 0.22 1.68 5.12 -1.23 -4.89 116.66 115.79 2pnk n ARG 264 Ca 0.03 0.61 0.10 0.00 -1.93 0.00 0.00 57.85 56.65 2pnk n ARG 264 Cb 0.45 -5.04 0.43 0.00 -1.16 0.00 0.00 32.46 27.14 2pnk n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 2pnk h VAL 265 N -1.79 0.54 -2.82 1.55 -1.51 -0.92 -3.33 116.25 107.96 2pnk h VAL 265 Ca -0.62 -1.16 -0.61 0.00 -1.23 0.00 0.00 66.70 63.08 2pnk h VAL 265 Cb 1.35 1.80 -0.40 0.00 -2.13 0.00 0.00 31.29 31.91 2pnk h VAL 265 CO 0.54 0.22 -0.76 -2.28 -1.23 0.00 0.00 177.57 174.06 2pnk s HIS 266 N -3.60 2.21 0.32 5.19 5.65 -0.89 -5.02 115.29 119.14 2pnk s HIS 266 Ca 0.01 -2.69 0.06 0.00 0.25 0.00 0.00 55.06 52.69 2pnk s HIS 266 Cb 0.10 -1.85 0.73 0.00 -1.18 0.00 0.00 32.58 30.39 2pnk s HIS 266 CO 0.64 -0.72 1.81 -1.35 -0.65 0.00 0.00 174.74 174.47 2pnk h PRO 267 N 5.96 0.76 -0.17 2.88 0.11 -1.84 -1.98 132.00 137.73 2pnk h PRO 267 Ca 0.13 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.24 2pnk h PRO 267 Cb 0.87 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 2pnk h PRO 267 CO 0.52 0.51 0.13 0.00 -0.21 0.00 0.00 178.00 178.95 2pnk h ALA 268 N 1.61 2.04 0.00 -0.75 0.00 -1.95 -1.39 119.26 118.82 2pnk h ALA 268 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2pnk h ALA 268 Cb 0.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2pnk h ALA 268 CO -0.31 -0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.00 2pnk n LEU 269 N -4.29 0.00 0.00 0.00 4.77 -0.74 -4.98 117.00 111.75 2pnk n LEU 269 Ca 0.01 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2pnk n LEU 269 Cb 0.26 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2pnk n LEU 269 CO 0.33 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2pnk n GLY 270 N 1.14 3.32 0.46 -0.72 0.00 -0.53 -1.85 105.19 107.01 2pnk n GLY 270 Ca 0.18 -0.19 0.27 0.00 0.00 0.00 0.00 46.02 46.28 2pnk n GLY 270 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pnk h ASP 271 N 2.32 0.22 -0.01 1.61 3.32 -1.94 0.26 116.42 122.20 2pnk h ASP 271 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 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 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 2pnk n ALA 272 N -2.61 2.50 0.81 3.45 0.00 -0.77 -4.07 120.51 119.82 2pnk n ALA 272 Ca 0.24 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.78 2pnk n ALA 272 Cb 0.99 -1.00 0.23 0.00 0.00 0.00 0.00 19.45 19.67 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 0.49 1.09 3.90 0.00 0.00 0.92 -4.90 105.19 106.70 2pnk n GLY 273 Ca 0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.74 6.51 0.20 1.61 1.01 -1.26 -0.42 116.67 122.58 2pnk s ASP 274 Ca 0.34 0.66 0.01 0.00 0.71 0.00 0.00 52.55 54.27 2pnk s ASP 274 Cb 0.21 -2.12 -0.00 0.00 1.01 0.00 0.00 42.92 42.01 2pnk s ASP 274 CO 0.31 -0.02 0.04 0.33 0.21 0.00 0.00 175.17 176.04 2pnk n PHE 275 N -0.16 0.27 -4.10 4.23 7.35 0.25 -4.90 117.46 120.40 2pnk n PHE 275 Ca -0.02 -1.14 -0.13 0.00 -0.76 0.00 0.00 57.45 55.39 2pnk n PHE 275 Cb 0.52 -0.07 -0.11 0.00 0.35 0.00 0.00 39.48 40.17 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 -2.03 0.67 0.05 -2.13 0.11 -1.26 -0.02 120.40 115.79 2pnk s VAL 276 Ca 0.05 -1.28 -0.14 0.00 -2.93 0.00 0.00 61.98 57.69 2pnk s VAL 276 Cb 0.00 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 33.99 2pnk s VAL 276 CO 0.04 -0.44 0.30 -0.83 -3.33 0.00 0.00 175.10 170.84 2pnk s GLY 277 N -1.88 -0.12 0.30 6.54 0.00 -0.68 -4.83 107.32 106.66 2pnk s GLY 277 Ca -0.05 -0.02 -0.29 0.00 0.00 0.00 0.00 44.72 44.36 2pnk s GLY 277 CO -0.00 -0.24 1.19 1.25 0.00 0.00 0.00 173.10 175.30 2pnk s LYS 278 N -2.66 4.51 0.16 2.90 2.20 -1.26 -4.54 119.74 121.04 2pnk s LYS 278 Ca -0.04 1.97 0.05 0.00 -0.36 0.00 0.00 55.97 57.59 2pnk s LYS 278 Cb -0.00 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 2pnk s LYS 278 CO -0.04 0.04 0.12 0.00 -0.36 0.00 0.00 175.35 175.11 2pnk s ALA 279 N -1.16 3.54 1.00 3.13 0.00 -1.26 -4.77 121.76 122.24 2pnk s ALA 279 Ca 0.47 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2pnk s ALA 279 Cb -0.35 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2pnk s ALA 279 CO 0.46 0.52 0.00 0.45 0.00 0.00 0.00 175.76 177.19 2pnk n SER 280 N -0.27 0.00 0.00 0.00 2.88 -1.25 -4.97 113.62 110.02 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 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2pnk n SER 280 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2pnk n ASP 282 N 0.00 0.00 -0.19 -3.46 8.00 -1.26 -4.74 116.55 114.90 2pnk n ASP 282 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 2pnk n ASP 282 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 2pnk n ASP 282 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2pnk h GLY 283 N 0.00 0.99 0.90 0.44 0.00 -1.83 -0.97 103.07 102.60 2pnk h GLY 283 Ca 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.56 2pnk h GLY 283 CO 0.00 0.65 -0.07 -2.08 0.00 0.00 0.00 176.54 175.03 2pnk h VAL 284 N 0.80 1.28 -0.41 4.60 2.07 -1.87 -1.58 116.25 121.15 2pnk h VAL 284 Ca 0.16 -1.11 0.05 0.00 0.82 0.00 0.00 66.70 66.62 2pnk h VAL 284 Cb 0.48 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2pnk h VAL 284 CO 0.02 0.36 0.13 -0.08 0.02 0.00 0.00 177.57 178.02 2pnk h GLU 285 N 0.36 0.27 -0.31 1.57 4.81 -1.93 -1.33 114.58 118.02 2pnk h GLU 285 Ca 0.08 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2pnk h GLU 285 Cb 0.56 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2pnk h GLU 285 CO 0.03 0.18 0.15 1.25 -0.73 0.00 0.00 179.01 179.89 2pnk h HIS 286 N 0.28 0.44 -0.23 0.92 2.76 -1.06 -0.96 115.15 117.29 2pnk h HIS 286 Ca 0.19 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.38 2pnk h HIS 286 Cb 0.19 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 2pnk h HIS 286 CO -0.16 0.39 -0.05 -0.07 -1.30 0.00 0.00 177.93 176.74 2pnk h LEU 287 N 0.36 -0.20 -0.46 0.26 3.38 -1.06 0.50 115.31 118.10 2pnk h LEU 287 Ca 0.10 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2pnk h LEU 287 Cb 0.12 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2pnk h LEU 287 CO -0.01 -0.07 0.22 -0.07 0.09 0.00 0.00 178.44 178.60 2pnk h LEU 288 N 0.01 0.60 -0.06 1.67 3.38 -1.07 -0.88 115.31 118.96 2pnk h LEU 288 Ca 0.11 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2pnk h LEU 288 Cb 0.17 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2pnk h LEU 288 CO -0.23 0.55 -0.11 -0.09 0.09 0.00 0.00 178.44 178.65 2pnk h ARG 289 N 0.59 0.18 -0.00 1.13 2.43 -1.03 -3.32 114.38 114.37 2pnk h ARG 289 Ca 0.16 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2pnk h ARG 289 Cb 0.11 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2pnk h ARG 289 CO -0.02 0.69 -0.18 0.39 -1.51 0.00 0.00 179.97 179.35 2pnk n GLU 290 N -4.65 0.15 -3.22 0.20 -0.58 0.15 -3.96 120.64 108.73 2pnk n GLU 290 Ca -0.08 -0.05 -0.25 0.00 -0.42 0.00 0.00 57.16 56.37 2pnk n GLU 290 Cb 0.35 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.66 2pnk n GLU 290 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2pnk n TYR 291 N -1.38 2.28 0.30 -0.32 4.02 -0.34 -4.93 117.16 116.79 2pnk n TYR 291 Ca 0.08 -3.93 0.17 0.00 -0.01 0.00 0.00 57.90 54.22 2pnk n TYR 291 Cb 0.32 -0.47 0.79 0.00 -0.02 0.00 0.00 39.34 39.95 2pnk n TYR 291 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2pnk h PRO 292 N 3.68 0.00 -0.08 -0.72 0.13 -1.69 -1.92 132.00 131.41 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 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2pnk h PRO 292 CO 0.69 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.55 2pnk n ASN 293 N -2.85 2.22 -4.81 1.44 3.02 -1.26 -4.88 115.26 108.13 2pnk n ASN 293 Ca -0.00 -1.74 -0.33 0.00 -0.03 0.00 0.00 54.58 52.47 2pnk n ASN 293 Cb 0.20 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.89 5.85 -0.12 6.41 -0.87 -0.72 -4.78 114.94 118.82 2pnk s ASN 294 Ca 0.34 0.19 -0.06 0.00 -1.57 0.00 0.00 52.86 51.76 2pnk s ASN 294 Cb 0.20 -1.72 -0.04 0.00 -0.02 0.00 0.00 41.25 39.68 2pnk s ASN 294 CO 0.31 0.26 0.10 -0.54 -2.57 0.00 0.00 177.10 174.66 2pnk s LYS 295 N -1.83 3.35 -0.09 -0.60 1.02 -1.26 -4.86 119.74 115.47 2pnk s LYS 295 Ca 0.24 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.02 2pnk s LYS 295 Cb -0.12 -3.08 0.02 0.00 -0.52 0.00 0.00 37.83 34.13 2pnk s LYS 295 CO 0.16 0.72 -0.09 -0.06 -0.92 0.00 0.00 175.35 175.16 2pnk s PHE 296 N -0.88 1.37 -0.21 3.18 0.40 -0.13 -1.07 117.98 120.63 2pnk s PHE 296 Ca 0.14 -0.58 -0.09 0.00 -0.60 0.00 0.00 56.93 55.79 2pnk s PHE 296 Cb -0.12 -1.09 -0.05 0.00 0.51 0.00 0.00 43.02 42.27 2pnk s PHE 296 CO 0.03 -0.38 0.12 -0.51 0.70 0.00 0.00 175.22 175.18 2pnk s LEU 297 N 1.21 4.04 -0.02 -0.37 1.43 -0.45 -4.23 118.68 120.30 2pnk s LEU 297 Ca -0.05 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 2pnk s LEU 297 Cb -0.14 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.03 2pnk s LEU 297 CO -0.02 0.13 -0.06 -0.69 0.23 0.00 0.00 176.35 175.93 2pnk s VAL 298 N 0.64 0.55 0.32 -1.59 1.01 -1.26 -4.06 120.40 116.00 2pnk s VAL 298 Ca 0.06 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.86 2pnk s VAL 298 Cb -0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 2pnk s VAL 298 CO 0.01 0.18 0.22 1.07 0.00 0.00 0.00 175.10 176.58 2pnk n THR 299 N 3.24 0.00 0.00 3.92 5.66 -1.26 -1.73 114.28 124.11 2pnk n THR 299 Ca -0.17 -2.18 0.00 0.00 -3.05 0.00 0.00 64.05 58.65 2pnk n THR 299 Cb 0.55 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.35 2pnk n THR 299 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2pnk n LEU 301 N 0.00 0.00 -4.74 1.09 7.94 -0.22 -1.72 117.00 119.36 2pnk n LEU 301 Ca 0.04 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.56 2pnk n LEU 301 Cb 0.55 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.44 2pnk n LEU 301 CO 0.28 0.00 0.22 -0.55 -1.11 0.00 0.00 177.39 176.23 2pnk s SER 302 N -1.03 6.78 0.39 1.96 0.15 -1.26 -4.75 113.70 115.94 2pnk s SER 302 Ca 0.00 0.93 0.15 0.00 0.70 0.00 0.00 55.95 57.73 2pnk s SER 302 Cb 0.00 -2.31 1.01 0.00 -1.71 0.00 0.00 66.02 63.01 2pnk s SER 302 CO 0.00 0.02 1.81 -0.09 1.20 0.00 0.00 173.24 176.19 2pnk h ARG 303 N 6.41 0.47 -0.00 5.44 2.43 -1.96 -1.81 114.38 125.36 2pnk h ARG 303 Ca -0.42 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2pnk h ARG 303 Cb 1.19 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2pnk h ARG 303 CO 0.74 0.31 -0.04 0.39 -1.51 0.00 0.00 179.97 179.86 2pnk n GLU 304 N -4.60 0.91 0.01 0.20 4.71 -1.26 -2.51 120.64 118.10 2pnk n GLU 304 Ca 0.22 -0.22 0.11 0.00 -0.01 0.00 0.00 57.16 57.25 2pnk n GLU 304 Cb 0.73 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.66 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 -0.85 0.72 -0.10 1.62 5.03 -0.68 -4.71 115.26 116.29 2pnk n ASN 305 Ca 0.19 -0.55 -0.12 0.00 0.87 0.00 0.00 54.58 54.96 2pnk n ASN 305 Cb 0.22 0.83 -0.04 0.00 -1.02 0.00 0.00 39.78 39.77 2pnk n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2pnk h GLN 306 N 0.00 0.64 0.01 3.52 1.08 -1.55 -1.85 115.11 116.95 2pnk h GLN 306 Ca 0.00 -0.29 -0.00 0.00 -1.45 0.00 0.00 58.65 56.90 2pnk h GLN 306 Cb 0.59 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2pnk h GLN 306 CO 0.00 0.88 -0.01 1.25 -0.95 0.00 0.00 178.83 180.01 2pnk h HIS 307 N 0.38 -0.01 -0.08 2.96 2.76 -1.84 -2.34 115.15 116.98 2pnk h HIS 307 Ca 0.06 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 2pnk h HIS 307 Cb 0.71 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 2pnk h HIS 307 CO 0.06 0.16 -0.16 1.05 -1.30 0.00 0.00 177.93 177.75 2pnk h GLU 308 N -0.19 0.12 -0.68 5.26 4.11 -1.85 -1.59 114.58 119.77 2pnk h GLU 308 Ca -0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 2pnk h GLU 308 Cb 0.18 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2pnk h GLU 308 CO 0.00 0.29 0.42 1.25 0.07 0.00 0.00 179.01 181.04 2pnk h LEU 309 N 0.12 0.81 -0.24 3.06 5.85 -1.23 -0.31 115.31 123.37 2pnk h LEU 309 Ca 0.02 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2pnk h LEU 309 Cb 0.36 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2pnk h LEU 309 CO 0.02 0.63 0.11 0.58 -0.34 0.00 0.00 178.44 179.44 2pnk h VAL 310 N 0.92 0.98 -0.84 1.05 2.07 -0.75 -2.11 116.25 117.58 2pnk h VAL 310 Ca 0.24 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 2pnk h VAL 310 Cb -0.04 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2pnk h VAL 310 CO -0.05 0.04 0.43 0.58 0.02 0.00 0.00 177.57 178.59 2pnk h VAL 311 N 0.24 1.25 -0.53 2.57 2.07 -1.14 -2.06 116.25 118.66 2pnk h VAL 311 Ca 0.10 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.97 2pnk h VAL 311 Cb 0.04 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 2pnk h VAL 311 CO -0.08 0.29 0.35 0.25 0.02 0.00 0.00 177.57 178.41 2pnk h LEU 312 N 1.18 0.55 -0.94 2.57 5.85 -0.72 -0.45 115.31 123.35 2pnk h LEU 312 Ca 0.29 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.92 2pnk h LEU 312 Cb 0.08 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2pnk h LEU 312 CO -0.04 0.39 -0.13 0.00 -0.34 0.00 0.00 178.44 178.32 2pnk h ALA 313 N 1.69 1.11 -0.06 1.25 0.00 -0.71 -2.18 119.26 120.36 2pnk h ALA 313 Ca 0.21 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2pnk h ALA 313 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2pnk h ALA 313 CO -0.05 0.55 -0.10 0.00 0.00 0.00 0.00 179.25 179.66 2pnk h ARG 314 N 0.57 0.08 0.00 0.00 3.08 -0.62 -3.05 114.38 114.45 2pnk h ARG 314 Ca 0.10 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 59.92 2pnk h ARG 314 Cb 0.56 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2pnk h ARG 314 CO 0.04 0.19 -1.13 0.87 -1.07 0.00 0.00 179.97 178.86 2pnk h LYS 315 N 0.08 0.00 -3.87 0.04 1.79 -0.93 -3.46 116.57 110.22 2pnk h LYS 315 Ca 0.02 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.96 2pnk h LYS 315 Cb 0.23 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 30.49 2pnk h LYS 315 CO 0.01 0.81 -0.78 -0.06 -1.08 0.00 0.00 179.45 178.35 2pnk s PHE 316 N -2.72 1.33 -0.18 -1.35 0.08 -0.90 -5.00 117.98 109.24 2pnk s PHE 316 Ca -0.00 -0.90 0.29 0.00 0.12 0.00 0.00 56.93 56.43 2pnk s PHE 316 Cb 0.09 -1.14 1.20 0.00 -0.57 0.00 0.00 43.02 42.60 2pnk s PHE 316 CO 0.81 -0.58 1.85 0.66 -0.10 0.00 0.00 175.22 177.86 2pnk h SER 317 N 8.19 0.00 -0.09 1.36 4.64 -1.89 -2.39 113.55 123.37 2pnk h SER 317 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2pnk h SER 317 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2pnk h SER 317 CO 0.35 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.85 2pnk n ASN 318 N -2.63 0.73 -3.70 4.97 6.94 -1.26 -5.03 115.26 115.28 2pnk n ASN 318 Ca 0.01 -1.65 -0.12 0.00 -0.02 0.00 0.00 54.58 52.80 2pnk n ASN 318 Cb 0.25 -0.06 0.03 0.00 -2.36 0.00 0.00 39.78 37.64 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 -0.26 0.00 -3.62 -4.53 7.94 -0.90 -0.96 117.00 114.67 2pnk n LEU 319 Ca 0.13 -1.50 -0.15 0.00 -1.11 0.00 0.00 56.01 53.38 2pnk n LEU 319 Cb 0.16 -0.20 -0.07 0.00 0.53 0.00 0.00 43.42 43.84 2pnk n LEU 319 CO 0.10 -0.59 0.36 0.27 -1.11 0.00 0.00 177.39 176.42 2pnk s ILE 321 N -1.20 0.00 -0.00 1.96 -4.36 -1.26 -4.92 121.20 111.42 2pnk s ILE 321 Ca 0.32 -0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.69 2pnk s ILE 321 Cb -0.03 -0.92 0.01 0.00 1.25 0.00 0.00 42.46 42.77 2pnk s ILE 321 CO 0.20 -0.01 -0.00 0.72 0.24 0.00 0.00 174.94 176.09 2pnk s PHE 322 N -0.09 0.07 0.09 1.37 -0.71 -0.71 -2.33 117.98 115.67 2pnk s PHE 322 Ca -0.03 0.01 0.00 0.00 -1.04 0.00 0.00 56.93 55.87 2pnk s PHE 322 Cb -0.04 -0.09 0.00 0.00 -1.21 0.00 0.00 43.02 41.69 2pnk s PHE 322 CO 0.03 -0.02 0.00 0.41 -1.34 0.00 0.00 175.22 174.30 2pnk n GLY 323 N 3.27 -1.92 2.91 1.99 0.00 0.37 -4.33 105.19 107.49 2pnk n GLY 323 Ca -0.15 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 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 0.58 3.27 0.00 0.00 -0.00 -1.26 -3.59 118.94 117.94 2pnk s TRP 325 Ca 0.14 1.23 0.00 0.00 -0.00 0.00 0.00 56.10 57.47 2pnk s TRP 325 Cb -0.22 -3.32 0.00 0.00 -0.00 0.00 0.00 33.47 29.93 2pnk s TRP 325 CO -0.07 -0.55 0.00 1.87 -0.00 0.00 0.00 176.95 178.20 2pnk n TRP 326 N 6.37 0.00 -0.15 5.86 -0.00 -1.26 -4.08 117.44 124.18 2pnk n TRP 326 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.59 2pnk n TRP 326 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.77 2pnk n TRP 326 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 2pnk n PHE 327 N 0.00 0.00 -4.11 5.87 3.72 -1.26 -4.62 117.46 117.06 2pnk n PHE 327 Ca 0.00 -0.28 -0.43 0.00 -0.05 0.00 0.00 57.45 56.69 2pnk n PHE 327 Cb 0.00 -0.39 -0.00 0.00 -0.94 0.00 0.00 39.48 38.15 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 2.06 -3.18 -4.00 4.37 5.15 -1.24 -5.04 115.26 113.38 2pnk n ASN 329 Ca 0.02 -1.29 -0.19 0.00 -0.60 0.00 0.00 54.58 52.52 2pnk n ASN 329 Cb 0.15 -1.73 -0.15 0.00 -0.53 0.00 0.00 39.78 37.52 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 -3.70 1.05 0.23 1.20 0.01 -1.26 -5.01 114.94 107.46 2pnk s ASN 330 Ca 0.40 -0.16 -0.13 0.00 -0.71 0.00 0.00 52.86 52.26 2pnk s ASN 330 Cb -0.22 -0.20 0.29 0.00 0.41 0.00 0.00 41.25 41.54 2pnk s ASN 330 CO 0.97 0.08 1.41 -2.65 -1.51 0.00 0.00 177.10 175.40 2pnk n PRO 331 N 3.08 -0.16 -0.22 -0.60 -0.02 -1.26 -0.91 135.00 134.90 2pnk n PRO 331 Ca -0.16 1.40 0.06 0.00 -2.02 0.00 0.00 63.50 62.78 2pnk n PRO 331 Cb 0.56 -2.08 0.32 0.00 -0.02 0.00 0.00 33.50 32.28 2pnk n PRO 331 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2pnk h GLU 332 N 0.00 0.81 0.14 -0.52 4.57 -2.00 -1.82 114.58 115.76 2pnk h GLU 332 Ca 0.36 -0.05 -0.34 0.00 -1.18 0.00 0.00 59.36 58.15 2pnk h GLU 332 Cb 0.59 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2pnk h GLU 332 CO -0.91 0.53 -1.76 0.82 -1.18 0.00 0.00 179.01 176.52 2pnk h ILE 333 N 0.83 0.91 -0.59 2.32 2.04 -1.50 -3.17 117.51 118.35 2pnk h ILE 333 Ca 0.35 -2.55 0.06 0.00 1.00 0.00 0.00 64.86 63.72 2pnk h ILE 333 Cb 0.27 2.68 -0.06 0.00 -0.74 0.00 0.00 36.82 38.98 2pnk h ILE 333 CO -0.12 0.83 0.29 0.40 0.00 0.00 0.00 178.15 179.55 2pnk h ILE 334 N 0.08 0.90 0.01 -0.67 2.04 -0.80 -2.81 117.51 116.27 2pnk h ILE 334 Ca -0.34 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.36 2pnk h ILE 334 Cb 2.06 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 2pnk h ILE 334 CO 0.15 0.10 -0.11 -1.13 0.00 0.00 0.00 178.15 177.16 2pnk h ASN 335 N 0.53 -0.30 0.00 1.72 -1.24 -1.47 0.40 115.58 115.22 2pnk h ASN 335 Ca 0.27 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.33 2pnk h ASN 335 Cb 0.23 0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.40 2pnk h ASN 335 CO -0.21 -0.15 0.00 -1.84 -1.29 0.00 0.00 177.43 173.94 2pnk n GLU 336 N -5.23 0.51 0.00 6.67 0.28 -1.06 -1.43 120.64 120.37 2pnk n GLU 336 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 2pnk n GLU 336 Cb 0.15 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 31.78 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 0.64 0.00 0.37 3.84 -1.04 0.13 -4.60 114.28 113.62 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 0.23 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 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 0.37 -0.44 -2.82 1.74 -0.52 -4.59 116.66 110.41 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 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.43 -0.46 -0.04 5.56 1.74 -1.26 -5.02 116.66 117.61 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 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 2pnk n ARG 341 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2pnk n GLU 343 N -0.43 -1.06 0.00 5.56 1.02 -1.26 -3.73 120.64 120.74 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 0.01 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 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 -0.04 0.00 0.00 -4.62 4.77 -1.26 -5.16 117.00 110.69 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 2.79 0.68 -0.72 0.00 -1.24 -1.63 105.19 105.06 2pnk n GLY 346 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.31 2pnk n GLY 346 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pnk n THR 347 N 0.00 1.44 -1.16 2.61 -2.24 -1.26 -4.78 114.28 108.88 2pnk n THR 347 Ca 0.00 -1.31 -0.18 0.00 -2.27 0.00 0.00 64.05 60.29 2pnk n THR 347 Cb 0.00 0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.10 5.87 -3.90 3.42 3.41 -0.65 -4.70 113.62 117.17 2pnk n SER 348 Ca 0.14 -2.83 -0.09 0.00 -0.26 0.00 0.00 58.87 55.83 2pnk n SER 348 Cb 0.57 -1.29 -0.05 0.00 -0.26 0.00 0.00 64.21 63.18 2pnk n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2pnk s PHE 349 N -0.46 0.20 -0.44 7.33 -0.71 -1.26 -4.85 117.98 117.80 2pnk s PHE 349 Ca 0.56 -0.56 -0.10 0.00 -1.04 0.00 0.00 56.93 55.78 2pnk s PHE 349 Cb 0.32 0.21 0.09 0.00 -1.21 0.00 0.00 43.02 42.42 2pnk s PHE 349 CO -0.09 -0.91 0.30 0.42 -1.34 0.00 0.00 175.22 173.60 2pnk s ILE 350 N -3.96 4.35 0.31 -4.49 1.01 -0.98 -4.67 121.20 112.76 2pnk s ILE 350 Ca 0.17 -1.45 0.03 0.00 0.00 0.00 0.00 60.65 59.40 2pnk s ILE 350 Cb 0.00 -3.70 0.12 0.00 0.01 0.00 0.00 42.46 38.90 2pnk s ILE 350 CO 0.03 -0.58 1.81 -0.65 0.00 0.00 0.00 174.94 175.55 2pnk h PRO 351 N 8.46 0.54 -3.15 2.79 0.11 -1.86 0.11 132.00 138.99 2pnk h PRO 351 Ca -0.23 -0.14 -0.11 0.00 0.11 0.00 0.00 66.00 65.62 2pnk h PRO 351 Cb 1.08 -0.06 -0.19 0.00 0.11 0.00 0.00 31.00 31.94 2pnk h PRO 351 CO 0.80 0.63 -0.29 -1.14 -0.21 0.00 0.00 178.00 177.78 2pnk s GLN 352 N -4.81 0.69 0.21 1.05 2.00 -1.26 -3.48 119.66 114.06 2pnk s GLN 352 Ca -0.07 -0.30 0.01 0.00 -2.00 0.00 0.00 55.36 52.99 2pnk s GLN 352 Cb 0.15 0.30 -0.05 0.00 0.80 0.00 0.00 33.01 34.21 2pnk s GLN 352 CO 0.78 -0.20 0.07 -3.38 -0.50 0.00 0.00 175.29 172.06 2pnk s HIS 353 N -1.68 1.32 -0.20 1.67 -3.43 -1.26 -4.70 115.29 107.01 2pnk s HIS 353 Ca -0.11 -1.16 0.03 0.00 -0.80 0.00 0.00 55.06 53.01 2pnk s HIS 353 Cb -0.04 -0.75 -0.21 0.00 -1.43 0.00 0.00 32.58 30.15 2pnk s HIS 353 CO 0.02 -0.36 0.04 -1.13 -2.00 0.00 0.00 174.74 171.32 2pnk n SER 354 N -0.33 1.61 -2.01 7.38 3.41 -1.24 -4.68 113.62 117.75 2pnk n SER 354 Ca -0.02 0.02 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 2pnk n SER 354 Cb 0.65 -0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 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 -3.22 -5.72 -4.67 4.04 8.00 -0.32 -4.91 116.55 109.74 2pnk n ASP 355 Ca -0.38 0.25 -0.46 0.00 0.71 0.00 0.00 54.79 54.91 2pnk n ASP 355 Cb 1.04 -4.90 -0.04 0.00 -0.02 0.00 0.00 41.12 37.19 2pnk n ASP 355 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pnk n ALA 356 N -0.34 1.35 -0.06 2.24 0.00 -1.26 -4.34 120.51 118.09 2pnk n ALA 356 Ca -0.23 0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.59 2pnk n ALA 356 Cb 0.69 -2.40 -0.14 0.00 0.00 0.00 0.00 19.45 17.59 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 4.23 0.90 -4.97 0.00 1.74 -1.26 0.13 116.66 117.44 2pnk n ARG 357 Ca 0.18 -0.07 -0.32 0.00 -0.77 0.00 0.00 57.85 56.87 2pnk n ARG 357 Cb 0.30 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 2pnk n ARG 357 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2pnk s VAL 358 N -2.75 2.72 0.18 1.55 1.01 -1.26 -4.33 120.40 117.51 2pnk s VAL 358 Ca -0.08 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 2pnk s VAL 358 Cb 0.08 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.44 2pnk s VAL 358 CO 0.76 0.56 1.57 0.25 0.00 0.00 0.00 175.10 178.24 2pnk h LEU 359 N 6.20 -1.40 -2.12 3.92 5.85 -1.44 -0.97 115.31 125.36 2pnk h LEU 359 Ca -0.32 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2pnk h LEU 359 Cb 1.19 0.65 0.00 0.00 0.37 0.00 0.00 40.66 42.87 2pnk h LEU 359 CO 0.51 -0.33 0.00 -0.33 -0.34 0.00 0.00 178.44 177.96 2pnk h GLU 360 N -0.20 0.00 -0.01 1.25 3.07 -1.93 -1.96 114.58 114.79 2pnk h GLU 360 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 2pnk h GLU 360 Cb 0.56 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 2pnk h GLU 360 CO -0.69 0.00 0.01 1.96 -1.40 0.00 0.00 179.01 178.89 2pnk h GLN 361 N 0.00 0.00 -0.96 2.33 4.20 -1.57 -1.27 115.11 117.84 2pnk h GLN 361 Ca 0.00 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.88 2pnk h GLN 361 Cb 0.07 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.76 2pnk h GLN 361 CO 0.00 0.00 0.61 -0.07 -0.67 0.00 0.00 178.83 178.70 2pnk h LEU 362 N 0.00 0.71 0.77 1.46 3.38 -1.53 0.36 115.31 120.45 2pnk h LEU 362 Ca 0.00 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2pnk h LEU 362 Cb 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2pnk h LEU 362 CO -0.00 0.31 -0.42 0.40 0.09 0.00 0.00 178.44 178.82 2pnk h ILE 363 N 0.72 0.15 -0.00 1.22 2.04 -1.46 -2.46 117.51 117.72 2pnk h ILE 363 Ca 0.52 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 66.13 2pnk h ILE 363 Cb 0.85 0.15 0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2pnk h ILE 363 CO -0.28 0.00 -0.99 0.10 0.00 0.00 0.00 178.15 176.98 2pnk h TYR 364 N -1.10 0.80 -0.68 1.37 -0.00 -1.58 -0.81 116.97 114.98 2pnk h TYR 364 Ca -0.10 -0.44 -0.02 0.00 0.00 0.00 0.00 58.73 58.17 2pnk h TYR 364 Cb 0.86 -0.09 -0.03 0.00 0.00 0.00 0.00 36.73 37.47 2pnk h TYR 364 CO -0.06 1.26 0.36 0.87 -0.00 0.00 0.00 178.16 180.59 2pnk h LYS 365 N 0.31 0.96 -0.06 0.10 1.57 -1.01 0.28 116.57 118.72 2pnk h LYS 365 Ca -0.10 -0.12 -0.24 0.00 -1.87 0.00 0.00 60.65 58.32 2pnk h LYS 365 Cb 1.63 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.77 2pnk h LYS 365 CO 0.18 0.74 -0.92 -1.49 -0.57 0.00 0.00 179.45 177.39 2pnk h TRP 366 N 0.94 0.93 -0.08 -1.35 4.06 -1.47 -2.49 115.95 116.49 2pnk h TRP 366 Ca 0.24 -0.47 -0.01 0.00 2.06 0.00 0.00 58.89 60.71 2pnk h TRP 366 Cb 0.07 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.10 2pnk h TRP 366 CO -0.00 1.29 0.02 0.45 -3.56 0.00 0.00 178.44 176.64 2pnk h HIS 367 N 0.40 0.14 -0.53 0.49 3.86 -0.98 -0.86 115.15 117.66 2pnk h HIS 367 Ca -0.09 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 2pnk h HIS 367 Cb 1.55 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.96 2pnk h HIS 367 CO 0.08 0.31 0.26 0.45 0.86 0.00 0.00 177.93 179.89 2pnk h HIS 368 N -0.07 0.76 -0.11 2.45 3.86 -1.03 -2.44 115.15 118.57 2pnk h HIS 368 Ca 0.03 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 2pnk h HIS 368 Cb 0.24 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2pnk h HIS 368 CO 0.00 0.59 -0.21 0.77 0.86 0.00 0.00 177.93 179.94 2pnk h SER 369 N 0.71 0.37 -0.88 2.45 0.02 -1.43 -2.95 113.55 111.84 2pnk h SER 369 Ca 0.18 -0.56 0.15 0.00 -0.84 0.00 0.00 61.79 60.73 2pnk h SER 369 Cb 0.11 -0.11 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 2pnk h SER 369 CO -0.02 0.86 0.47 0.11 -1.14 0.00 0.00 176.83 177.11 2pnk h LYS 370 N -0.10 0.64 -0.50 3.45 1.57 -1.18 0.10 116.57 120.55 2pnk h LYS 370 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2pnk h LYS 370 Cb 0.79 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2pnk h LYS 370 CO 0.05 0.42 0.28 0.66 -0.57 0.00 0.00 179.45 180.29 2pnk h SER 371 N 0.66 0.63 -0.11 0.86 4.64 -1.37 0.26 113.55 119.10 2pnk h SER 371 Ca 0.49 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.70 2pnk h SER 371 Cb 0.69 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2pnk h SER 371 CO -0.37 0.53 -0.01 0.40 -0.87 0.00 0.00 176.83 176.51 2pnk h ILE 372 N 0.67 1.27 -0.67 0.95 2.04 -1.24 -2.53 117.51 118.00 2pnk h ILE 372 Ca 0.18 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 2pnk h ILE 372 Cb 0.04 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2pnk h ILE 372 CO -0.03 0.25 0.31 0.40 0.00 0.00 0.00 178.15 179.08 2pnk h ILE 373 N -0.09 1.22 -0.53 -0.67 2.04 -0.67 -2.17 117.51 116.64 2pnk h ILE 373 Ca 0.03 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.30 2pnk h ILE 373 Cb 0.40 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2pnk h ILE 373 CO 0.01 0.26 0.28 0.00 0.00 0.00 0.00 178.15 178.70 2pnk h ALA 374 N 1.39 0.68 -0.43 1.87 0.00 -0.38 -1.16 119.26 121.23 2pnk h ALA 374 Ca 0.23 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2pnk h ALA 374 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2pnk h ALA 374 CO -0.03 -0.06 0.28 0.93 0.00 0.00 0.00 179.25 180.36 2pnk h GLU 375 N 0.53 0.54 -0.36 0.00 5.08 -0.97 -0.66 114.58 118.74 2pnk h GLU 375 Ca 0.23 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2pnk h GLU 375 Cb 0.13 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2pnk h GLU 375 CO -0.15 0.36 0.15 0.28 -1.00 0.00 0.00 179.01 178.65 2pnk h VAL 376 N 0.56 1.18 -0.30 3.13 2.07 -1.17 -1.88 116.25 119.84 2pnk h VAL 376 Ca 0.16 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.14 2pnk h VAL 376 Cb -0.04 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2pnk h VAL 376 CO -0.05 0.20 0.18 -0.07 0.02 0.00 0.00 177.57 177.85 2pnk h LEU 377 N 0.44 0.30 -0.42 2.57 3.38 -0.95 -1.03 115.31 119.61 2pnk h LEU 377 Ca 0.12 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2pnk h LEU 377 Cb 0.17 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2pnk h LEU 377 CO -0.01 0.22 0.13 0.40 0.09 0.00 0.00 178.44 179.27 2pnk h ILE 378 N 0.37 0.85 -0.65 1.22 2.04 -0.98 0.91 117.51 121.28 2pnk h ILE 378 Ca 0.12 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.92 2pnk h ILE 378 Cb -0.01 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 2pnk h ILE 378 CO -0.05 0.05 0.38 0.44 0.00 0.00 0.00 178.15 178.97 2pnk h ASP 379 N 0.28 0.60 -0.18 1.72 3.32 -0.94 -0.20 116.42 121.02 2pnk h ASP 379 Ca 0.20 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.06 2pnk h ASP 379 Cb 0.20 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2pnk h ASP 379 CO -0.22 0.40 -0.67 0.11 -1.72 0.00 0.00 179.24 177.14 2pnk h LYS 380 N 0.73 0.80 -0.49 3.56 6.56 -0.56 -1.79 116.57 125.37 2pnk h LYS 380 Ca 0.27 -0.58 -0.10 0.00 -1.06 0.00 0.00 60.65 59.18 2pnk h LYS 380 Cb 0.10 0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.84 2pnk h LYS 380 CO -0.14 1.20 -0.08 1.88 -2.06 0.00 0.00 179.45 180.26 2pnk h TYR 381 N 0.58 1.03 -0.90 -1.35 0.05 -0.75 -2.81 116.97 112.83 2pnk h TYR 381 Ca -0.02 -0.21 0.03 0.00 0.05 0.00 0.00 58.73 58.58 2pnk h TYR 381 Cb 1.29 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 38.72 2pnk h TYR 381 CO 0.08 0.98 0.58 0.22 -1.05 0.00 0.00 178.16 178.97 2pnk h ASP 382 N 0.78 0.97 -0.68 3.88 3.58 -0.93 0.19 116.42 124.21 2pnk h ASP 382 Ca 0.13 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 2pnk h ASP 382 Cb 0.63 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 2pnk h ASP 382 CO 0.04 0.68 0.15 0.44 -2.88 0.00 0.00 179.24 177.67 2pnk h ASP 383 N 1.14 1.05 0.72 2.28 3.32 -1.13 0.23 116.42 124.04 2pnk h ASP 383 Ca 0.35 -0.24 -0.20 0.00 0.02 0.00 0.00 57.03 56.96 2pnk h ASP 383 Cb -0.02 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2pnk h ASP 383 CO -0.11 1.02 -0.92 0.16 -1.72 0.00 0.00 179.24 177.67 2pnk h ILE 384 N 1.04 1.56 -0.81 0.35 3.07 -1.23 -2.48 117.51 119.02 2pnk h ILE 384 Ca 0.21 -2.86 -0.02 0.00 1.55 0.00 0.00 64.86 63.75 2pnk h ILE 384 Cb 0.39 2.60 -0.04 0.00 -0.27 0.00 0.00 36.82 39.50 2pnk h ILE 384 CO 0.01 0.83 0.44 -0.07 -1.05 0.00 0.00 178.15 178.31 2pnk h LEU 385 N 0.06 1.01 -1.48 0.16 3.38 -0.27 -1.31 115.31 116.85 2pnk h LEU 385 Ca -0.04 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2pnk h LEU 385 Cb 1.59 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 2pnk h LEU 385 CO 0.13 0.81 0.38 1.56 0.09 0.00 0.00 178.44 181.42 2pnk h GLN 386 N 1.12 0.68 0.00 1.13 4.20 -0.45 -1.27 115.11 120.51 2pnk h GLN 386 Ca 0.28 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2pnk h GLN 386 Cb 0.03 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.66 2pnk h GLN 386 CO -0.05 0.45 0.00 0.00 -0.67 0.00 0.00 178.83 178.56 2pnk n ALA 387 N -2.46 2.53 -0.06 3.87 0.00 -0.81 -4.88 120.51 118.70 2pnk n ALA 387 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2pnk n ALA 387 Cb 0.11 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2pnk n ALA 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnk n GLY 388 N 0.64 0.45 3.78 0.00 0.00 -0.48 -5.06 105.19 104.51 2pnk n GLY 388 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.14 3.54 -0.31 1.61 -0.11 -0.56 -4.99 118.94 115.97 2pnk s TRP 389 Ca 0.00 1.73 -0.07 0.00 1.22 0.00 0.00 56.10 58.98 2pnk s TRP 389 Cb 0.00 -3.03 0.02 0.00 -1.50 0.00 0.00 33.47 28.97 2pnk s TRP 389 CO 0.00 -0.15 0.09 -1.21 -4.62 0.00 0.00 176.95 171.06 2pnk s GLU 390 N -2.15 2.87 -0.07 5.86 2.02 -1.26 -4.15 118.70 121.82 2pnk s GLU 390 Ca 0.52 -1.01 -0.20 0.00 0.02 0.00 0.00 54.97 54.31 2pnk s GLU 390 Cb -0.21 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.57 2pnk s GLU 390 CO 0.27 -0.55 0.56 0.08 0.02 0.00 0.00 175.26 175.64 2pnk s VAL 391 N 1.45 5.06 0.29 2.63 1.01 -1.26 -4.98 120.40 124.61 2pnk s VAL 391 Ca 0.01 1.14 0.01 0.00 0.00 0.00 0.00 61.98 63.14 2pnk s VAL 391 Cb -0.18 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2pnk s VAL 391 CO 0.02 0.35 0.48 0.42 0.00 0.00 0.00 175.10 176.38 2pnk s THR 392 N 0.32 5.15 0.33 3.92 -4.23 -1.26 -3.56 115.64 116.31 2pnk s THR 392 Ca 0.30 -0.50 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 2pnk s THR 392 Cb -0.17 -3.82 0.21 0.00 1.34 0.00 0.00 72.50 70.06 2pnk s THR 392 CO 0.14 -0.42 1.93 -0.08 -0.54 0.00 0.00 174.62 175.66 2pnk h GLU 393 N 1.16 0.77 -0.47 3.99 4.81 -1.99 -1.73 114.58 121.13 2pnk h GLU 393 Ca -0.50 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 58.57 2pnk h GLU 393 Cb 1.21 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2pnk h GLU 393 CO 0.63 0.61 0.01 0.93 -0.73 0.00 0.00 179.01 180.46 2pnk h GLU 394 N 0.77 0.76 -0.52 1.92 4.39 -1.99 0.06 114.58 119.98 2pnk h GLU 394 Ca 0.19 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2pnk h GLU 394 Cb 0.10 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2pnk h GLU 394 CO -0.02 0.76 0.01 0.93 -1.16 0.00 0.00 179.01 179.53 2pnk h GLU 395 N 0.71 0.90 -0.21 2.33 5.08 -1.81 -0.74 114.58 120.85 2pnk h GLU 395 Ca 0.14 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2pnk h GLU 395 Cb 0.42 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2pnk h GLU 395 CO 0.02 0.92 0.06 0.82 -1.00 0.00 0.00 179.01 179.83 2pnk h ILE 396 N 0.78 0.94 -0.66 3.13 2.04 -0.91 -0.37 117.51 122.46 2pnk h ILE 396 Ca 0.15 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.98 2pnk h ILE 396 Cb 0.51 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 2pnk h ILE 396 CO 0.02 0.03 0.42 0.11 0.00 0.00 0.00 178.15 178.73 2pnk h LYS 397 N 0.16 0.81 0.11 2.37 1.57 -0.87 -0.51 116.57 120.21 2pnk h LYS 397 Ca 0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2pnk h LYS 397 Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2pnk h LYS 397 CO -0.10 0.53 -0.11 -0.09 -0.57 0.00 0.00 179.45 179.11 2pnk h ARG 398 N 0.83 -0.24 -0.63 3.15 2.43 -0.84 -0.78 114.38 118.31 2pnk h ARG 398 Ca 0.25 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.50 2pnk h ARG 398 Cb -0.03 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.52 2pnk h ARG 398 CO -0.09 -0.16 0.33 -0.44 -1.51 0.00 0.00 179.97 178.10 2pnk h ASP 399 N -0.25 0.46 -0.44 -3.80 3.32 -0.70 0.33 116.42 115.35 2pnk h ASP 399 Ca 0.00 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 2pnk h ASP 399 Cb 0.24 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2pnk h ASP 399 CO -0.03 0.30 -0.01 0.58 -1.72 0.00 0.00 179.24 178.36 2pnk h VAL 400 N 0.60 1.25 -0.78 -1.35 2.07 -1.02 -1.58 116.25 115.44 2pnk h VAL 400 Ca 0.29 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 2pnk h VAL 400 Cb 0.21 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2pnk h VAL 400 CO -0.20 0.37 0.34 0.00 0.02 0.00 0.00 177.57 178.10 2pnk h ALA 401 N 1.20 1.01 0.39 1.67 0.00 -0.40 -1.22 119.26 121.91 2pnk h ALA 401 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2pnk h ALA 401 Cb 0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2pnk h ALA 401 CO 0.02 0.61 -0.29 -0.44 0.00 0.00 0.00 179.25 179.15 2pnk h ASP 402 N 1.12 -0.75 -0.68 0.00 3.32 -0.58 0.53 116.42 119.38 2pnk h ASP 402 Ca 0.26 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 2pnk h ASP 402 Cb 0.17 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2pnk h ASP 402 CO -0.03 -0.44 0.41 -0.07 -1.72 0.00 0.00 179.24 177.39 2pnk h LEU 403 N -0.67 0.81 -0.14 1.55 3.38 -1.08 -0.81 115.31 118.34 2pnk h LEU 403 Ca -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2pnk h LEU 403 Cb 0.58 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2pnk h LEU 403 CO 0.00 0.63 -0.53 0.49 0.09 0.00 0.00 178.44 179.13 2pnk n PHE 404 N -4.56 0.00 0.14 1.13 3.72 -0.48 -4.29 117.46 113.12 2pnk n PHE 404 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2pnk n PHE 404 Cb 0.05 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 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 -1.26 -1.98 0.07 4.37 2.88 -0.42 -1.25 113.62 116.03 2pnk n SER 405 Ca 0.07 0.51 -0.05 0.00 -1.33 0.00 0.00 58.87 58.07 2pnk n SER 405 Cb 0.34 2.00 0.14 0.00 -0.75 0.00 0.00 64.21 65.95 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 0.29 -0.52 -1.46 3.08 -0.87 -2.87 114.38 112.03 2pnk h ARG 406 Ca 0.00 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 59.90 2pnk h ARG 406 Cb 0.00 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2pnk h ARG 406 CO 0.00 0.75 0.32 -0.91 -1.07 0.00 0.00 179.97 179.06 2pnk h ASN 407 N 0.22 0.52 0.72 7.04 2.35 -1.36 0.44 115.58 125.52 2pnk h ASN 407 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2pnk h ASN 407 Cb 1.02 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 39.28 2pnk h ASN 407 CO 0.09 0.37 -0.35 0.15 -1.65 0.00 0.00 177.43 176.03 2pnk h PHE 408 N 0.64 -0.92 -0.45 1.19 3.57 -1.75 -0.39 116.94 118.83 2pnk h PHE 408 Ca 0.21 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2pnk h PHE 408 Cb 0.00 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2pnk h PHE 408 CO -0.06 -0.57 0.18 -1.49 -2.23 0.00 0.00 178.31 174.15 2pnk h TRP 409 N -0.98 0.63 -0.36 0.41 4.06 -1.34 -0.17 115.95 118.21 2pnk h TRP 409 Ca -0.10 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.81 2pnk h TRP 409 Cb 0.75 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.70 2pnk h TRP 409 CO -0.03 0.49 0.14 -0.09 -3.56 0.00 0.00 178.44 175.39 2pnk h ARG 410 N 0.63 0.54 -0.16 0.49 2.43 -0.84 -2.04 114.38 115.44 2pnk h ARG 410 Ca 0.16 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2pnk h ARG 410 Cb 0.12 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2pnk h ARG 410 CO -0.02 0.53 0.02 0.35 -1.51 0.00 0.00 179.97 179.34 2pnk h PHE 411 N 0.44 0.28 0.00 2.20 3.57 -0.04 -3.04 116.94 120.34 2pnk h PHE 411 Ca 0.12 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2pnk h PHE 411 Cb 0.19 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.86 2pnk h PHE 411 CO -0.00 0.45 0.00 -0.39 -2.23 0.00 0.00 178.31 176.14 2pnk h VAL 412 N 0.03 0.00 -1.81 1.41 -1.51 -1.08 -3.47 116.25 109.83 2pnk h VAL 412 Ca 0.05 -0.28 -0.13 0.00 -1.23 0.00 0.00 66.70 65.11 2pnk h VAL 412 Cb 0.33 1.06 0.02 0.00 -2.13 0.00 0.00 31.29 30.57 2pnk h VAL 412 CO 0.00 0.00 -0.20 0.61 -1.23 0.00 0.00 177.57 176.76 2pnk n GLY 413 N 0.06 0.30 3.31 5.19 0.00 -0.81 -4.81 105.19 108.43 2pnk n GLY 413 Ca 0.02 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.92 1.77 0.01 1.61 0.52 -0.94 -5.07 118.95 111.93 2pnk s ARG 414 Ca 0.10 -2.04 0.07 0.00 -0.52 0.00 0.00 55.73 53.35 2pnk s ARG 414 Cb -0.04 0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 2pnk s ARG 414 CO 0.12 -0.63 -0.21 -0.80 0.02 0.00 0.00 175.30 173.80 2pnk s ASN 415 N -3.40 3.49 1.11 0.23 0.01 -1.26 -4.52 114.94 110.59 2pnk s ASN 415 Ca 0.39 -0.43 -0.17 0.00 -0.71 0.00 0.00 52.86 51.94 2pnk s ASN 415 Cb 0.02 -0.51 0.24 0.00 0.41 0.00 0.00 41.25 41.42 2pnk s ASN 415 CO 0.26 0.29 1.15 1.51 -1.51 0.00 0.00 177.10 178.80 2pnk s ASP 416 N -1.01 1.78 0.26 -1.22 -4.77 -1.26 -4.75 116.67 105.70 2pnk s ASP 416 Ca 0.12 0.68 -0.02 0.00 -3.30 0.00 0.00 52.55 50.04 2pnk s ASP 416 Cb -0.10 -0.99 0.56 0.00 -1.09 0.00 0.00 42.92 41.30 2pnk s ASP 416 CO 0.02 -3.60 1.69 1.12 0.70 0.00 0.00 175.17 175.10 2pnk h HIS 417 N -2.22 0.44 -0.08 2.11 -0.00 -1.88 -2.60 115.15 110.91 2pnk h HIS 417 Ca -0.47 0.04 -0.21 0.00 -0.00 0.00 0.00 60.37 59.73 2pnk h HIS 417 Cb 1.29 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 2pnk h HIS 417 CO -1.37 -0.05 -0.81 0.28 -0.00 0.00 0.00 177.93 175.97 2pnk h VAL 418 N 0.34 1.34 -0.23 6.12 2.07 -1.92 -3.23 116.25 120.74 2pnk h VAL 418 Ca 0.47 -2.14 -0.07 0.00 0.82 0.00 0.00 66.70 65.78 2pnk h VAL 418 Cb 0.83 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2pnk h VAL 418 CO -0.51 0.66 -0.12 0.74 0.02 0.00 0.00 177.57 178.36 2pnk h THR 419 N 0.37 1.30 0.00 2.57 2.02 -1.88 -3.55 112.91 113.75 2pnk h THR 419 Ca -0.06 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.91 2pnk h THR 419 Cb 1.43 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2pnk h THR 419 CO 0.15 0.37 0.00 -1.20 0.37 0.00 0.00 175.52 175.22