#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pfs h VAL 3 N 0.00 1.30 -4.14 0.44 3.04 -1.97 -3.40 116.25 111.51 2pfs h VAL 3 Ca 0.00 -1.53 -0.51 0.00 -1.01 0.00 0.00 66.70 63.65 2pfs h VAL 3 Cb 0.00 1.57 -0.26 0.00 -2.01 0.00 0.00 31.29 30.59 2pfs h VAL 3 CO 0.00 0.47 -0.82 -0.31 -1.01 0.00 0.00 177.57 175.91 2pfs s TYR 4 N -4.24 1.47 -0.19 3.17 2.02 -1.26 -5.06 117.35 113.26 2pfs s TYR 4 Ca -0.06 -0.34 0.18 0.00 -0.37 0.00 0.00 57.07 56.48 2pfs s TYR 4 Cb 0.13 -0.90 -0.24 0.00 -0.40 0.00 0.00 41.96 40.55 2pfs s TYR 4 CO 0.80 0.04 0.07 0.72 -1.57 0.00 0.00 175.55 175.61 2pfs n HIS 5 N 2.10 0.00 -3.50 2.71 8.25 -1.26 -4.20 115.22 119.31 2pfs n HIS 5 Ca -0.17 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.10 2pfs n HIS 5 Cb 0.54 -0.97 -0.13 0.00 1.12 0.00 0.00 29.99 30.55 2pfs n HIS 5 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2pfs s HIS 6 N -2.48 -0.21 -0.21 4.41 5.65 -1.26 -1.11 115.29 120.07 2pfs s HIS 6 Ca -0.10 0.12 -0.07 0.00 0.25 0.00 0.00 55.06 55.25 2pfs s HIS 6 Cb 0.06 -0.42 -0.04 0.00 -1.18 0.00 0.00 32.58 31.00 2pfs s HIS 6 CO 0.81 -0.61 0.07 0.42 -0.65 0.00 0.00 174.74 174.78 2pfs s ILE 7 N 2.30 4.60 -0.34 0.89 1.01 0.15 -0.90 121.20 128.91 2pfs s ILE 7 Ca 0.06 -0.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 2pfs s ILE 7 Cb -0.16 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 2pfs s ILE 7 CO -0.13 0.40 0.29 -0.22 0.00 0.00 0.00 174.94 175.28 2pfs s LEU 8 N 0.94 4.51 -0.12 2.97 2.96 0.10 -1.34 118.68 128.69 2pfs s LEU 8 Ca 0.04 -0.36 -0.22 0.00 -0.22 0.00 0.00 54.13 53.37 2pfs s LEU 8 Cb -0.14 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 2pfs s LEU 8 CO 0.03 -0.28 0.65 -0.22 -1.32 0.00 0.00 176.35 175.21 2pfs s LEU 9 N 1.84 4.24 -0.26 -0.68 2.96 -0.37 -0.35 118.68 126.06 2pfs s LEU 9 Ca 0.08 1.02 -0.10 0.00 -0.22 0.00 0.00 54.13 54.91 2pfs s LEU 9 Cb -0.17 -2.98 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 2pfs s LEU 9 CO 0.11 -0.17 0.15 0.00 -1.32 0.00 0.00 176.35 175.12 2pfs s ALA 10 N 1.24 3.45 0.02 5.97 0.00 -0.22 -1.34 121.76 130.89 2pfs s ALA 10 Ca 0.33 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.31 2pfs s ALA 10 Cb -0.17 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 2pfs s ALA 10 CO 0.14 -0.41 -0.12 0.14 0.00 0.00 0.00 175.76 175.51 2pfs s VAL 11 N 1.48 3.26 -1.65 0.00 -7.23 -0.88 -4.37 120.40 111.01 2pfs s VAL 11 Ca 0.07 -0.96 0.14 0.00 -1.81 0.00 0.00 61.98 59.41 2pfs s VAL 11 Cb -0.15 -2.40 0.16 0.00 0.56 0.00 0.00 36.38 34.55 2pfs s VAL 11 CO 0.07 0.37 1.01 -0.90 -0.31 0.00 0.00 175.10 175.34 2pfs n ASP 12 N 1.55 2.36 -2.57 4.85 5.68 -1.26 -4.51 116.55 122.65 2pfs n ASP 12 Ca -0.16 -1.66 -0.14 0.00 -0.50 0.00 0.00 54.79 52.33 2pfs n ASP 12 Cb 0.52 -0.05 0.06 0.00 -1.14 0.00 0.00 41.12 40.50 2pfs n ASP 12 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2pfs n PHE 13 N 0.79 -1.75 -2.71 2.11 3.72 -1.26 -5.06 117.46 113.30 2pfs n PHE 13 Ca 0.09 0.66 -0.21 0.00 -0.05 0.00 0.00 57.45 57.94 2pfs n PHE 13 Cb 0.37 -3.80 0.04 0.00 -0.94 0.00 0.00 39.48 35.15 2pfs n PHE 13 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2pfs s SER 14 N -3.45 5.26 0.47 4.37 1.04 -1.26 -4.99 113.70 115.14 2pfs s SER 14 Ca 0.25 -0.14 0.32 0.00 0.48 0.00 0.00 55.95 56.86 2pfs s SER 14 Cb -0.11 -0.72 1.67 0.00 0.10 0.00 0.00 66.02 66.96 2pfs s SER 14 CO 0.48 -1.14 1.97 0.77 0.98 0.00 0.00 173.24 176.30 2pfs h SER 15 N 0.12 0.00 0.12 7.02 4.64 -2.07 -2.18 113.55 121.20 2pfs h SER 15 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2pfs h SER 15 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2pfs h SER 15 CO 0.50 0.00 -0.14 -0.62 -0.87 0.00 0.00 176.83 175.70 2pfs n GLU 16 N -2.63 1.23 -0.32 4.77 4.71 -1.26 -4.32 120.64 122.82 2pfs n GLU 16 Ca -0.02 -0.73 0.16 0.00 -0.01 0.00 0.00 57.16 56.57 2pfs n GLU 16 Cb 0.08 -1.48 0.35 0.00 -1.01 0.00 0.00 31.44 29.38 2pfs n GLU 16 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2pfs h ASP 17 N 1.77 0.46 -0.37 1.62 3.32 -1.78 -2.67 116.42 118.77 2pfs h ASP 17 Ca 0.00 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 2pfs h ASP 17 Cb 0.51 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 2pfs h ASP 17 CO 0.00 0.01 0.03 -1.28 -1.72 0.00 0.00 179.24 176.28 2pfs h SER 18 N 0.45 0.68 0.23 6.45 0.87 -1.83 0.21 113.55 120.61 2pfs h SER 18 Ca 0.61 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 61.02 2pfs h SER 18 Cb 1.20 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2pfs h SER 18 CO -0.52 0.73 -0.11 1.56 -0.53 0.00 0.00 176.83 177.96 2pfs h GLN 19 N 0.68 -0.30 -0.27 2.24 4.20 -1.79 -2.62 115.11 117.26 2pfs h GLN 19 Ca 0.14 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2pfs h GLN 19 Cb 0.38 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2pfs h GLN 19 CO 0.01 -0.15 0.14 0.28 -0.67 0.00 0.00 178.83 178.44 2pfs h VAL 20 N -0.38 1.13 -0.37 -0.54 2.07 -1.45 -2.27 116.25 114.45 2pfs h VAL 20 Ca -0.03 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.21 2pfs h VAL 20 Cb 0.29 0.87 -0.09 0.00 -1.52 0.00 0.00 31.29 30.84 2pfs h VAL 20 CO 0.05 0.13 -0.29 0.58 0.02 0.00 0.00 177.57 178.06 2pfs h VAL 21 N 0.32 0.28 -0.49 2.57 2.07 -0.60 0.42 116.25 120.83 2pfs h VAL 21 Ca 0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 2pfs h VAL 21 Cb 0.08 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2pfs h VAL 21 CO -0.01 0.00 -0.02 1.56 0.02 0.00 0.00 177.57 179.12 2pfs h GLN 22 N -0.24 0.87 -0.34 1.57 1.08 -1.43 0.12 115.11 116.74 2pfs h GLN 22 Ca 0.17 -0.29 0.05 0.00 -1.45 0.00 0.00 58.65 57.14 2pfs h GLN 22 Cb 0.51 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.82 2pfs h GLN 22 CO -0.50 0.92 0.06 -0.22 -0.95 0.00 0.00 178.83 178.14 2pfs h LYS 23 N 0.72 0.17 -0.40 1.46 3.64 -1.23 0.22 116.57 121.16 2pfs h LYS 23 Ca 0.14 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 2pfs h LYS 23 Cb 0.54 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2pfs h LYS 23 CO 0.03 0.11 -0.22 0.28 -2.27 0.00 0.00 179.45 177.38 2pfs h VAL 24 N 0.18 1.27 -0.33 2.00 2.07 -0.71 0.99 116.25 121.72 2pfs h VAL 24 Ca 0.16 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.36 2pfs h VAL 24 Cb 0.18 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2pfs h VAL 24 CO -0.21 0.45 0.19 -0.09 0.02 0.00 0.00 177.57 177.92 2pfs h ARG 25 N 0.69 0.38 -0.75 1.57 2.43 -0.51 -0.95 114.38 117.24 2pfs h ARG 25 Ca 0.10 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2pfs h ARG 25 Cb 0.73 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 2pfs h ARG 25 CO 0.06 0.25 0.33 -0.91 -1.51 0.00 0.00 179.97 178.19 2pfs h ASN 26 N 0.39 1.01 0.59 -3.80 2.35 -0.82 -2.46 115.58 112.84 2pfs h ASN 26 Ca 0.13 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2pfs h ASN 26 Cb 0.01 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 2pfs h ASN 26 CO -0.07 0.88 -0.47 0.25 -1.65 0.00 0.00 177.43 176.38 2pfs h LEU 27 N 1.07 -1.24 -0.91 1.61 5.85 -0.60 -1.67 115.31 119.41 2pfs h LEU 27 Ca 0.25 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 2pfs h LEU 27 Cb 0.17 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2pfs h LEU 27 CO -0.03 -0.66 0.32 0.00 -0.34 0.00 0.00 178.44 177.74 2pfs h ALA 28 N -1.08 1.14 -0.58 1.25 0.00 -1.16 -1.25 119.26 117.58 2pfs h ALA 28 Ca -0.08 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 2pfs h ALA 28 Cb 0.86 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2pfs h ALA 28 CO 0.01 0.63 -0.03 0.77 0.00 0.00 0.00 179.25 180.63 2pfs h SER 29 N 1.09 1.00 0.45 0.00 0.02 -1.46 0.36 113.55 115.02 2pfs h SER 29 Ca 0.26 -0.29 -0.14 0.00 -0.84 0.00 0.00 61.79 60.78 2pfs h SER 29 Cb 0.17 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2pfs h SER 29 CO -0.03 1.07 -0.60 1.56 -1.14 0.00 0.00 176.83 177.69 2pfs h GLN 30 N 0.93 0.14 -0.00 3.45 4.20 -0.62 -3.27 115.11 119.95 2pfs h GLN 30 Ca 0.16 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2pfs h GLN 30 Cb 0.57 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2pfs h GLN 30 CO 0.03 0.70 -0.81 0.44 -0.67 0.00 0.00 178.83 178.52 2pfs n ILE 31 N -3.86 0.00 -1.61 2.54 -5.35 -0.53 -4.97 119.36 105.59 2pfs n ILE 31 Ca -0.02 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2pfs n ILE 31 Cb 0.61 0.87 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 2pfs n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pfs n GLY 32 N 1.48 0.74 3.92 3.28 0.00 0.10 -4.43 105.19 110.28 2pfs n GLY 32 Ca 0.05 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 2pfs n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pfs s ALA 33 N -2.06 3.94 0.42 4.61 0.00 0.30 -4.89 121.76 124.08 2pfs s ALA 33 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.06 2pfs s ALA 33 Cb 0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 2pfs s ALA 33 CO 0.00 0.70 0.75 -0.98 0.00 0.00 0.00 175.76 176.23 2pfs s ARG 34 N -2.78 3.67 -0.02 0.00 1.70 -0.27 -4.56 118.95 116.70 2pfs s ARG 34 Ca 0.36 0.31 0.06 0.00 -0.47 0.00 0.00 55.73 55.99 2pfs s ARG 34 Cb -0.12 -2.41 -0.03 0.00 -0.57 0.00 0.00 34.95 31.82 2pfs s ARG 34 CO 0.28 -0.08 -0.18 -0.51 -1.08 0.00 0.00 175.30 173.73 2pfs s LEU 35 N -4.18 2.56 0.38 -1.89 1.43 -1.26 -0.68 118.68 115.04 2pfs s LEU 35 Ca 0.49 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.33 2pfs s LEU 35 Cb -0.10 -1.50 -0.07 0.00 0.03 0.00 0.00 46.19 44.54 2pfs s LEU 35 CO 0.37 0.31 0.01 -0.44 0.23 0.00 0.00 176.35 176.83 2pfs s SER 36 N -0.92 3.44 0.00 2.29 0.01 -0.45 -4.90 113.70 113.17 2pfs s SER 36 Ca 0.12 -1.35 0.01 0.00 1.31 0.00 0.00 55.95 56.04 2pfs s SER 36 Cb -0.10 -0.31 -0.01 0.00 0.21 0.00 0.00 66.02 65.81 2pfs s SER 36 CO 0.02 -0.47 -0.04 -0.22 0.41 0.00 0.00 173.24 172.93 2pfs s LEU 37 N -3.63 2.04 0.02 2.44 2.96 -0.34 -1.24 118.68 120.93 2pfs s LEU 37 Ca 0.35 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 2pfs s LEU 37 Cb 0.09 -0.19 -0.02 0.00 0.50 0.00 0.00 46.19 46.57 2pfs s LEU 37 CO 0.17 0.01 -0.03 0.27 -1.32 0.00 0.00 176.35 175.44 2pfs s ILE 38 N -0.29 0.17 -0.03 6.68 -4.36 -0.45 0.19 121.20 123.10 2pfs s ILE 38 Ca -0.00 -0.75 -0.00 0.00 -0.26 0.00 0.00 60.65 59.63 2pfs s ILE 38 Cb -0.03 -0.27 0.03 0.00 1.25 0.00 0.00 42.46 43.44 2pfs s ILE 38 CO -0.00 -0.37 0.02 -2.28 0.24 0.00 0.00 174.94 172.55 2pfs s HIS 39 N -1.14 0.20 -0.18 1.37 2.46 -0.32 -2.08 115.29 115.60 2pfs s HIS 39 Ca -0.12 0.08 -0.15 0.00 0.47 0.00 0.00 55.06 55.35 2pfs s HIS 39 Cb -0.08 -0.40 -0.04 0.00 -0.13 0.00 0.00 32.58 31.93 2pfs s HIS 39 CO -0.01 -0.14 0.33 0.08 -2.47 0.00 0.00 174.74 172.53 2pfs s VAL 40 N 1.32 5.27 -0.11 0.89 1.01 -1.26 -2.47 120.40 125.05 2pfs s VAL 40 Ca -0.06 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.23 2pfs s VAL 40 Cb -0.13 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2pfs s VAL 40 CO -0.03 0.33 1.54 -0.76 0.00 0.00 0.00 175.10 176.18 2pfs s LEU 41 N 0.82 4.21 -1.24 3.92 1.43 -0.53 -4.95 118.68 122.35 2pfs s LEU 41 Ca 0.17 1.98 -0.04 0.00 -1.03 0.00 0.00 54.13 55.21 2pfs s LEU 41 Cb -0.14 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2pfs s LEU 41 CO 0.06 -0.93 0.48 -0.67 0.23 0.00 0.00 176.35 175.51 2pfs n ASP 42 N 7.20 -5.18 -0.03 2.29 -0.08 -1.26 -4.03 116.55 115.45 2pfs n ASP 42 Ca 0.17 -0.22 -0.02 0.00 -1.51 0.00 0.00 54.79 53.20 2pfs n ASP 42 Cb 0.44 -4.03 -0.07 0.00 2.34 0.00 0.00 41.12 39.80 2pfs n ASP 42 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2pfs n THR 53 N -4.25 0.43 -2.76 5.18 -2.24 -1.26 -5.17 114.28 104.20 2pfs n THR 53 Ca -0.09 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 2pfs n THR 53 Cb 0.60 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 2pfs n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pfs s ALA 54 N -2.29 3.39 -0.03 6.98 0.00 -1.26 -5.04 121.76 123.51 2pfs s ALA 54 Ca -0.04 0.30 -0.28 0.00 0.00 0.00 0.00 51.96 51.95 2pfs s ALA 54 Cb 0.03 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 2pfs s ALA 54 CO 0.34 -0.52 0.89 0.42 0.00 0.00 0.00 175.76 176.89 2pfs s ILE 55 N 1.80 4.92 0.12 0.00 -1.09 -1.26 -5.01 121.20 120.68 2pfs s ILE 55 Ca 0.46 1.86 -0.31 0.00 -2.23 0.00 0.00 60.65 60.43 2pfs s ILE 55 Cb -0.18 -4.23 -0.07 0.00 -1.58 0.00 0.00 42.46 36.39 2pfs s ILE 55 CO 0.18 0.17 1.31 -2.16 -1.23 0.00 0.00 174.94 173.21 2pfs s PRO 56 N 1.06 4.38 0.10 2.79 0.04 -1.26 -4.91 135.00 137.19 2pfs s PRO 56 Ca 0.47 1.97 0.22 0.00 0.04 0.00 0.00 61.00 63.71 2pfs s PRO 56 Cb -0.20 -3.26 -0.16 0.00 0.04 0.00 0.00 34.50 30.92 2pfs s PRO 56 CO 0.24 -0.32 0.79 1.28 0.04 0.00 0.00 177.00 179.02 2pfs n LEU 57 N 3.57 0.46 -0.11 -3.56 4.77 -1.26 -4.19 117.00 116.69 2pfs n LEU 57 Ca 0.09 0.17 0.13 0.00 -0.03 0.00 0.00 56.01 56.38 2pfs n LEU 57 Cb 0.44 -0.03 0.41 0.00 -2.33 0.00 0.00 43.42 41.91 2pfs n LEU 57 CO 0.57 -0.10 0.67 -0.90 -1.33 0.00 0.00 177.39 176.30 2pfs n ASP 58 N -2.48 0.62 -4.13 -1.43 5.75 -1.26 -4.90 116.55 108.71 2pfs n ASP 58 Ca -0.02 -0.46 -0.15 0.00 -0.01 0.00 0.00 54.79 54.15 2pfs n ASP 58 Cb 0.56 0.06 -0.11 0.00 -1.03 0.00 0.00 41.12 40.60 2pfs n ASP 58 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2pfs s THR 59 N -2.71 0.84 0.16 2.12 -4.23 -1.26 -5.13 115.64 105.43 2pfs s THR 59 Ca 0.20 -1.35 -0.31 0.00 -1.18 0.00 0.00 61.69 59.05 2pfs s THR 59 Cb 0.19 -1.02 -0.09 0.00 1.34 0.00 0.00 72.50 72.92 2pfs s THR 59 CO 0.57 -0.41 1.41 -0.70 -0.54 0.00 0.00 174.62 174.95 2pfs s GLU 60 N -2.09 4.31 0.47 3.99 2.56 -1.26 -4.85 118.70 121.84 2pfs s GLU 60 Ca -0.02 2.15 -0.15 0.00 0.00 0.00 0.00 54.97 56.95 2pfs s GLU 60 Cb -0.07 -3.20 -0.08 0.00 2.00 0.00 0.00 34.13 32.78 2pfs s GLU 60 CO 0.01 -0.41 0.92 0.95 -0.56 0.00 0.00 175.26 176.16 2pfs s THR 61 N 0.69 4.60 -0.18 -1.70 -4.23 -1.26 -5.00 115.64 108.55 2pfs s THR 61 Ca 0.63 1.05 0.15 0.00 -1.18 0.00 0.00 61.69 62.34 2pfs s THR 61 Cb -0.39 -3.71 0.44 0.00 1.34 0.00 0.00 72.50 70.18 2pfs s THR 61 CO 0.34 -0.61 1.19 0.35 -0.54 0.00 0.00 174.62 175.36 2pfs n THR 62 N -1.42 1.64 -0.18 3.99 -2.24 -1.26 -4.88 114.28 109.93 2pfs n THR 62 Ca 0.05 -2.87 -0.01 0.00 -2.27 0.00 0.00 64.05 58.96 2pfs n THR 62 Cb 0.54 0.04 0.09 0.00 -2.10 0.00 0.00 70.33 68.90 2pfs n THR 62 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2pfs h TYR 63 N 1.42 0.21 -0.10 4.78 0.05 -2.05 -3.12 116.97 118.16 2pfs h TYR 63 Ca 0.00 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 2pfs h TYR 63 Cb 1.36 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 39.08 2pfs h TYR 63 CO 0.61 -0.00 -0.02 -0.44 -1.05 0.00 0.00 178.16 177.26 2pfs h ASP 64 N 0.27 0.18 0.00 3.88 3.32 -2.05 0.16 116.42 122.19 2pfs h ASP 64 Ca 0.29 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2pfs h ASP 64 Cb 0.40 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2pfs h ASP 64 CO -0.36 0.49 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 2pfs n ALA 65 N -2.31 0.98 0.00 3.45 0.00 -1.18 -0.47 120.51 120.98 2pfs n ALA 65 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2pfs n ALA 65 Cb 0.22 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2pfs n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pfs n LEU 67 N 0.55 0.00 -0.31 0.00 4.77 0.57 -2.01 117.00 120.57 2pfs n LEU 67 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2pfs n LEU 67 Cb 0.00 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.42 2pfs n LEU 67 CO 0.00 0.00 1.22 0.44 -1.33 0.00 0.00 177.39 177.72 2pfs h ASP 68 N 0.00 0.76 -0.42 -1.43 3.32 -1.03 0.13 116.42 117.75 2pfs h ASP 68 Ca 0.00 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2pfs h ASP 68 Cb 0.00 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2pfs h ASP 68 CO 0.00 0.38 0.10 0.58 -1.72 0.00 0.00 179.24 178.58 2pfs h VAL 69 N 0.80 1.23 -0.45 -1.35 2.07 -1.68 -0.88 116.25 115.99 2pfs h VAL 69 Ca 0.48 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 2pfs h VAL 69 Cb 0.67 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2pfs h VAL 69 CO -0.24 0.28 0.01 -0.33 0.02 0.00 0.00 177.57 177.31 2pfs h GLU 70 N 0.55 0.79 -0.71 1.57 4.39 -1.65 -1.95 114.58 117.57 2pfs h GLU 70 Ca 0.13 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 59.63 2pfs h GLU 70 Cb 0.32 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 2pfs h GLU 70 CO 0.00 0.85 0.43 0.87 -1.16 0.00 0.00 179.01 180.00 2pfs h LYS 71 N 0.64 0.80 -0.42 2.33 1.57 -0.63 -0.96 116.57 119.89 2pfs h LYS 71 Ca 0.13 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2pfs h LYS 71 Cb 0.48 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2pfs h LYS 71 CO 0.02 0.53 0.18 1.96 -0.57 0.00 0.00 179.45 181.58 2pfs h GLN 72 N 0.83 0.62 -0.81 3.15 4.20 -0.77 0.10 115.11 122.44 2pfs h GLN 72 Ca 0.30 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 2pfs h GLN 72 Cb 0.08 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 2pfs h GLN 72 CO -0.13 0.56 0.33 0.87 -0.67 0.00 0.00 178.83 179.79 2pfs h LYS 73 N 0.54 1.20 -0.22 1.46 1.57 -1.09 0.26 116.57 120.29 2pfs h LYS 73 Ca 0.14 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2pfs h LYS 73 Cb 0.16 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2pfs h LYS 73 CO -0.01 0.96 0.10 1.25 -0.57 0.00 0.00 179.45 181.17 2pfs h LEU 74 N 1.17 0.29 -1.12 2.94 5.85 -1.03 -2.91 115.31 120.51 2pfs h LEU 74 Ca 0.27 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 2pfs h LEU 74 Cb 0.20 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2pfs h LEU 74 CO -0.02 0.35 -0.05 -1.28 -0.34 0.00 0.00 178.44 177.10 2pfs h SER 75 N 0.21 0.53 -0.66 1.25 0.87 -0.26 0.23 113.55 115.72 2pfs h SER 75 Ca 0.07 -0.12 0.11 0.00 -1.23 0.00 0.00 61.79 60.62 2pfs h SER 75 Cb 0.15 -0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 61.89 2pfs h SER 75 CO -0.01 0.64 0.25 1.56 -0.53 0.00 0.00 176.83 178.74 2pfs h GLN 76 N 0.53 0.41 0.00 2.24 4.20 -0.32 0.10 115.11 122.27 2pfs h GLN 76 Ca 0.11 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 2pfs h GLN 76 Cb 0.42 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.11 2pfs h GLN 76 CO 0.02 0.27 -0.32 0.82 -0.67 0.00 0.00 178.83 178.95 2pfs h ILE 77 N 0.43 1.53 -0.97 2.54 2.04 -1.29 -2.76 117.51 119.03 2pfs h ILE 77 Ca 0.34 -2.00 0.11 0.00 1.00 0.00 0.00 64.86 64.31 2pfs h ILE 77 Cb 0.45 2.77 -0.08 0.00 -0.74 0.00 0.00 36.82 39.22 2pfs h ILE 77 CO -0.34 0.55 0.60 1.23 0.00 0.00 0.00 178.15 180.20 2pfs h GLY 78 N -0.45 1.55 0.86 5.37 0.00 -0.40 -2.30 103.07 107.70 2pfs h GLY 78 Ca -0.04 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 2pfs h GLY 78 CO 0.06 0.17 -0.12 3.43 0.00 0.00 0.00 176.54 180.09 2pfs h ASN 79 N 0.97 0.53 -0.91 0.19 2.35 -0.78 -0.95 115.58 116.99 2pfs h ASN 79 Ca 0.47 -0.41 0.12 0.00 -0.55 0.00 0.00 56.30 55.93 2pfs h ASN 79 Cb 0.42 -0.15 -0.08 0.00 0.05 0.00 0.00 38.32 38.56 2pfs h ASN 79 CO -0.25 0.83 0.54 0.74 -1.65 0.00 0.00 177.43 177.63 2pfs h THR 80 N 0.24 0.86 -0.00 2.81 2.02 -1.35 -2.55 112.91 114.94 2pfs h THR 80 Ca 0.05 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2pfs h THR 80 Cb 0.63 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2pfs h THR 80 CO 0.04 0.15 -0.34 0.18 0.37 0.00 0.00 175.52 175.92 2pfs n LEU 81 N -4.72 0.76 -1.34 2.58 4.77 -0.88 -4.94 117.00 113.22 2pfs n LEU 81 Ca 0.17 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2pfs n LEU 81 Cb 0.36 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2pfs n LEU 81 CO 0.25 0.15 -0.15 0.61 -1.33 0.00 0.00 177.39 176.92 2pfs n GLY 82 N 1.41 0.19 3.67 -0.72 0.00 -0.46 -5.00 105.19 104.27 2pfs n GLY 82 Ca 0.09 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 2pfs n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pfs s ILE 83 N -2.60 4.90 0.32 -0.61 1.01 -0.60 -5.02 121.20 118.59 2pfs s ILE 83 Ca 0.00 1.56 -0.28 0.00 0.00 0.00 0.00 60.65 61.93 2pfs s ILE 83 Cb 0.00 -4.11 -0.13 0.00 0.01 0.00 0.00 42.46 38.23 2pfs s ILE 83 CO 0.00 0.03 1.22 -0.67 0.00 0.00 0.00 174.94 175.52 2pfs n ASP 84 N 5.28 2.38 -0.17 3.58 -0.08 -1.26 -4.74 116.55 121.53 2pfs n ASP 84 Ca 0.04 1.20 0.29 0.00 -1.51 0.00 0.00 54.79 54.81 2pfs n ASP 84 Cb 0.49 -1.43 0.71 0.00 2.34 0.00 0.00 41.12 43.23 2pfs n ASP 84 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2pfs h PRO 85 N 2.49 0.00 0.00 -0.67 0.13 -1.95 0.16 132.00 132.16 2pfs h PRO 85 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2pfs h PRO 85 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2pfs h PRO 85 CO 0.63 0.00 0.02 0.00 -0.23 0.00 0.00 178.00 178.42 2pfs h ALA 86 N 1.38 1.02 -0.11 -0.56 0.00 -2.03 -2.30 119.26 116.66 2pfs h ALA 86 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2pfs h ALA 86 Cb 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2pfs h ALA 86 CO -0.00 -0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.95 2pfs n HIS 87 N -2.95 0.27 -4.44 0.00 8.25 0.55 -4.93 115.22 111.97 2pfs n HIS 87 Ca -0.03 -0.76 -0.34 0.00 -0.26 0.00 0.00 57.72 56.34 2pfs n HIS 87 Cb 0.08 -0.14 -0.11 0.00 1.12 0.00 0.00 29.99 30.94 2pfs n HIS 87 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2pfs s ARG 88 N -2.05 3.39 -0.12 -0.41 0.52 -0.87 -1.19 118.95 118.22 2pfs s ARG 88 Ca 0.24 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.95 2pfs s ARG 88 Cb 0.19 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.84 2pfs s ARG 88 CO 0.05 0.40 -0.14 -1.58 0.02 0.00 0.00 175.30 174.05 2pfs s TRP 89 N -0.06 1.99 -0.32 -0.53 0.52 0.13 -4.95 118.94 115.72 2pfs s TRP 89 Ca 0.02 -1.00 0.03 0.00 0.02 0.00 0.00 56.10 55.17 2pfs s TRP 89 Cb -0.13 -1.46 0.09 0.00 -1.15 0.00 0.00 33.47 30.82 2pfs s TRP 89 CO 0.03 -0.53 0.02 -1.17 0.02 0.00 0.00 176.95 175.31 2pfs s LEU 90 N 1.18 4.44 0.06 2.99 2.96 -1.26 -1.17 118.68 127.87 2pfs s LEU 90 Ca -0.02 -1.94 0.09 0.00 -0.22 0.00 0.00 54.13 52.03 2pfs s LEU 90 Cb -0.14 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2pfs s LEU 90 CO -0.05 -0.34 -0.26 0.68 -1.32 0.00 0.00 176.35 175.07 2pfs s VAL 91 N 0.97 2.22 0.14 1.68 -7.23 -1.03 -4.99 120.40 112.16 2pfs s VAL 91 Ca 0.06 -1.42 -0.30 0.00 -1.81 0.00 0.00 61.98 58.51 2pfs s VAL 91 Cb -0.19 -1.88 -0.07 0.00 0.56 0.00 0.00 36.38 34.80 2pfs s VAL 91 CO -0.07 0.33 0.99 0.26 -0.31 0.00 0.00 175.10 176.30 2pfs s TRP 92 N -0.85 3.80 -5.00 2.82 0.52 -1.26 -1.46 118.94 117.51 2pfs s TRP 92 Ca 0.12 1.78 0.00 0.00 0.02 0.00 0.00 56.10 58.02 2pfs s TRP 92 Cb -0.10 -3.09 0.00 0.00 -1.15 0.00 0.00 33.47 29.13 2pfs s TRP 92 CO 0.03 0.08 0.00 0.41 0.02 0.00 0.00 176.95 177.49 2pfs n GLY 93 N 2.10 0.30 3.67 0.98 0.00 -1.26 -4.95 105.19 106.03 2pfs n GLY 93 Ca 0.02 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 2pfs n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pfs s GLU 94 N -2.00 4.30 0.16 1.61 8.01 -1.26 -4.70 118.70 124.83 2pfs s GLU 94 Ca 0.00 1.19 -0.29 0.00 0.01 0.00 0.00 54.97 55.89 2pfs s GLU 94 Cb 0.00 -3.59 -0.02 0.00 -4.31 0.00 0.00 34.13 26.20 2pfs s GLU 94 CO 0.00 -0.43 1.55 -1.35 0.01 0.00 0.00 175.26 175.03 2pfs h PRO 95 N 7.35 -0.14 -0.39 0.39 0.11 -1.92 -1.14 132.00 136.26 2pfs h PRO 95 Ca -0.26 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.94 2pfs h PRO 95 Cb 1.11 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.16 2pfs h PRO 95 CO 0.89 -0.10 -0.29 0.00 -0.21 0.00 0.00 178.00 178.29 2pfs h ARG 96 N -0.15 -0.22 -0.30 1.05 -0.00 -1.94 0.18 114.38 113.01 2pfs h ARG 96 Ca 0.16 0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.63 2pfs h ARG 96 Cb 0.51 0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.52 2pfs h ARG 96 CO -0.81 -0.15 0.10 0.93 0.00 0.00 0.00 179.97 180.04 2pfs h GLU 97 N -0.23 0.46 -0.32 0.04 5.08 -1.85 -1.92 114.58 115.85 2pfs h GLU 97 Ca 0.18 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 2pfs h GLU 97 Cb 0.52 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2pfs h GLU 97 CO -0.52 0.51 -0.26 0.93 -1.00 0.00 0.00 179.01 178.66 2pfs h GLU 98 N 0.33 0.75 0.23 2.33 4.39 -0.81 0.55 114.58 122.34 2pfs h GLU 98 Ca 0.10 -0.38 0.01 0.00 0.34 0.00 0.00 59.36 59.43 2pfs h GLU 98 Cb 0.24 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2pfs h GLU 98 CO -0.00 1.00 -0.39 0.82 -1.16 0.00 0.00 179.01 179.28 2pfs h ILE 99 N 0.52 0.21 -0.87 3.13 2.04 -0.58 -1.44 117.51 120.53 2pfs h ILE 99 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 2pfs h ILE 99 Cb 0.83 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2pfs h ILE 99 CO 0.07 0.00 0.57 0.40 0.00 0.00 0.00 178.15 179.19 2pfs h ILE 100 N -0.69 1.21 -0.55 -0.67 2.04 -1.29 -1.74 117.51 115.82 2pfs h ILE 100 Ca 0.00 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 2pfs h ILE 100 Cb 0.67 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2pfs h ILE 100 CO -0.16 0.21 0.07 0.08 0.00 0.00 0.00 178.15 178.36 2pfs h ARG 101 N 1.17 0.92 -0.02 2.37 0.11 -0.64 -1.96 114.38 116.32 2pfs h ARG 101 Ca 0.32 -0.25 -0.00 0.00 0.10 0.00 0.00 59.98 60.15 2pfs h ARG 101 Cb -0.12 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 30.86 2pfs h ARG 101 CO -0.07 0.89 0.01 0.82 0.10 0.00 0.00 179.97 181.72 2pfs h ILE 102 N 0.80 1.13 -0.59 0.08 1.08 -1.04 -1.40 117.51 117.57 2pfs h ILE 102 Ca 0.16 -0.39 0.12 0.00 -0.39 0.00 0.00 64.86 64.36 2pfs h ILE 102 Cb 0.43 1.36 -0.11 0.00 -3.07 0.00 0.00 36.82 35.43 2pfs h ILE 102 CO 0.01 0.11 -0.10 0.00 -0.69 0.00 0.00 178.15 177.48 2pfs h ALA 103 N 0.85 0.46 0.90 1.87 0.00 -1.30 0.27 119.26 122.30 2pfs h ALA 103 Ca 0.01 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2pfs h ALA 103 Cb 0.16 0.41 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2pfs h ALA 103 CO -0.00 -0.42 -0.43 1.05 0.00 0.00 0.00 179.25 179.45 2pfs h GLU 104 N 0.04 -1.16 -0.81 0.00 -0.00 -1.31 -1.43 114.58 109.90 2pfs h GLU 104 Ca 0.29 0.08 0.20 0.00 -0.00 0.00 0.00 59.36 59.93 2pfs h GLU 104 Cb 0.46 0.26 -0.13 0.00 -0.00 0.00 0.00 28.75 29.34 2pfs h GLU 104 CO -0.58 -0.77 0.15 0.37 -0.00 0.00 0.00 179.01 178.19 2pfs h GLN 105 N -1.28 0.19 -0.57 1.06 4.15 -0.98 -2.75 115.11 114.94 2pfs h GLN 105 Ca -0.12 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.29 2pfs h GLN 105 Cb 0.93 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.58 2pfs h GLN 105 CO 0.20 0.13 0.00 0.39 -1.93 0.00 0.00 178.83 177.62 2pfs n GLU 106 N -5.24 2.41 -3.68 1.69 -0.58 0.92 -4.96 120.64 111.21 2pfs n GLU 106 Ca 0.17 -2.02 -0.21 0.00 -0.42 0.00 0.00 57.16 54.68 2pfs n GLU 106 Cb 0.56 -1.48 0.04 0.00 -0.57 0.00 0.00 31.44 29.99 2pfs n GLU 106 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2pfs n ASN 107 N 1.06 -1.47 -4.76 1.62 3.02 -0.98 -4.98 115.26 108.77 2pfs n ASN 107 Ca 0.19 -0.79 -0.39 0.00 -0.03 0.00 0.00 54.58 53.56 2pfs n ASN 107 Cb 0.51 -4.19 -0.06 0.00 -0.61 0.00 0.00 39.78 35.43 2pfs n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pfs s VAL 108 N -3.61 4.12 -0.30 2.41 1.01 -0.58 -4.71 120.40 118.75 2pfs s VAL 108 Ca 0.04 1.97 0.02 0.00 0.00 0.00 0.00 61.98 64.02 2pfs s VAL 108 Cb -0.02 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.19 2pfs s VAL 108 CO 0.80 0.35 0.59 -0.90 0.00 0.00 0.00 175.10 175.93 2pfs n ASP 109 N 1.09 1.22 -3.69 3.32 5.68 -0.07 -4.87 116.55 119.23 2pfs n ASP 109 Ca -0.00 -1.12 -0.16 0.00 -0.50 0.00 0.00 54.79 53.01 2pfs n ASP 109 Cb 0.48 -0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.31 2pfs n ASP 109 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2pfs s LEU 110 N -0.22 0.16 -0.13 -2.12 2.96 -1.12 -3.51 118.68 114.71 2pfs s LEU 110 Ca 0.03 0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 54.12 2pfs s LEU 110 Cb 0.02 0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.92 2pfs s LEU 110 CO 0.03 -0.22 0.25 -0.63 -1.32 0.00 0.00 176.35 174.46 2pfs s ILE 111 N 1.98 5.32 -0.17 6.68 1.01 -0.66 0.00 121.20 135.37 2pfs s ILE 111 Ca -0.00 0.47 -0.03 0.00 0.00 0.00 0.00 60.65 61.09 2pfs s ILE 111 Cb -0.12 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 2pfs s ILE 111 CO -0.06 0.48 -0.06 -0.69 0.00 0.00 0.00 174.94 174.61 2pfs s VAL 112 N -0.12 3.55 0.04 2.92 1.01 0.52 -0.02 120.40 128.31 2pfs s VAL 112 Ca 0.16 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2pfs s VAL 112 Cb -0.13 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2pfs s VAL 112 CO 0.04 0.48 -0.09 0.54 0.00 0.00 0.00 175.10 176.07 2pfs s VAL 113 N 0.69 0.67 0.15 2.92 0.11 -0.06 -1.05 120.40 123.82 2pfs s VAL 113 Ca -0.03 -1.00 -0.24 0.00 -2.93 0.00 0.00 61.98 57.77 2pfs s VAL 113 Cb -0.15 -0.69 -0.08 0.00 -1.53 0.00 0.00 36.38 33.94 2pfs s VAL 113 CO 0.02 -0.26 0.74 -0.83 -3.33 0.00 0.00 175.10 171.44 2pfs s GLY 114 N -1.39 2.88 -0.16 6.54 0.00 -1.26 0.32 107.32 114.25 2pfs s GLY 114 Ca -0.06 0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.98 2pfs s GLY 114 CO 0.01 0.81 -0.20 -1.35 0.00 0.00 0.00 173.10 172.36 2pfs s SER 115 N -1.12 3.15 0.00 1.64 1.04 0.41 -4.72 113.70 114.09 2pfs s SER 115 Ca 0.35 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2pfs s SER 115 Cb -0.23 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 64.42 2pfs s SER 115 CO 0.25 0.03 0.00 1.41 0.98 0.00 0.00 173.24 175.91 2pfs n HIS 116 N 4.40 0.00 0.00 5.02 8.25 -1.26 -0.43 115.22 131.20 2pfs n HIS 116 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 2pfs n HIS 116 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 2pfs n HIS 116 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2pfs n SER 127 N 0.00 0.00 -0.19 0.41 2.88 -1.26 -5.00 113.62 110.45 2pfs n SER 127 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2pfs n SER 127 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 2pfs n SER 127 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2pfs h THR 128 N 0.00 0.81 -0.55 2.46 2.02 -1.99 -2.41 112.91 113.25 2pfs h THR 128 Ca 0.00 -0.15 0.11 0.00 0.77 0.00 0.00 66.41 67.14 2pfs h THR 128 Cb 0.00 0.35 -0.11 0.00 -1.74 0.00 0.00 68.15 66.65 2pfs h THR 128 CO 0.00 0.08 -0.26 0.00 0.37 0.00 0.00 175.52 175.71 2pfs h ALA 129 N 1.38 0.10 0.00 6.16 0.00 -1.98 0.84 119.26 125.77 2pfs h ALA 129 Ca 0.29 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 2pfs h ALA 129 Cb 0.32 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2pfs h ALA 129 CO -0.27 -0.59 -0.15 -2.95 0.00 0.00 0.00 179.25 175.29 2pfs h ASN 130 N -0.12 0.00 0.14 0.00 7.08 -1.90 -1.21 115.58 119.57 2pfs h ASN 130 Ca 0.24 0.00 -0.29 0.00 -3.08 0.00 0.00 56.30 53.18 2pfs h ASN 130 Cb 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.75 2pfs h ASN 130 CO -0.62 0.15 -1.44 -1.28 -2.08 0.00 0.00 177.43 172.16 2pfs h SER 131 N 0.00 0.47 -0.92 6.14 0.87 -0.83 -2.87 113.55 116.41 2pfs h SER 131 Ca -0.00 -0.89 0.02 0.00 -1.23 0.00 0.00 61.79 59.69 2pfs h SER 131 Cb 0.53 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.29 2pfs h SER 131 CO 0.02 1.64 0.61 0.58 -0.53 0.00 0.00 176.83 179.15 2pfs h VAL 132 N -0.19 1.20 -0.30 2.23 2.07 -0.80 -2.52 116.25 117.94 2pfs h VAL 132 Ca -0.30 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 2pfs h VAL 132 Cb 1.85 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2pfs h VAL 132 CO 0.11 0.22 -0.09 0.25 0.02 0.00 0.00 177.57 178.08 2pfs h LEU 133 N 1.21 0.46 0.00 2.57 6.46 -1.31 0.12 115.31 124.82 2pfs h LEU 133 Ca 0.35 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2pfs h LEU 133 Cb -0.06 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.74 2pfs h LEU 133 CO -0.09 0.60 -0.36 1.41 -0.62 0.00 0.00 178.44 179.37 2pfs n HIS 134 N -4.23 0.49 -0.24 1.25 -0.00 -0.98 -4.20 115.22 107.31 2pfs n HIS 134 Ca 0.01 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 2pfs n HIS 134 Cb 0.29 -0.64 0.00 0.00 -0.00 0.00 0.00 29.99 29.64 2pfs n HIS 134 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.34 178.82 2pfs n TYR 135 N -1.97 0.00 -2.42 4.41 -0.00 -1.03 -5.08 117.16 111.08 2pfs n TYR 135 Ca 0.05 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.57 2pfs n TYR 135 Cb 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.72 2pfs n TYR 135 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2pfs s ALA 136 N -0.20 3.11 -1.90 -3.48 0.00 0.39 -4.94 121.76 114.74 2pfs s ALA 136 Ca 0.00 0.83 0.21 0.00 0.00 0.00 0.00 51.96 53.00 2pfs s ALA 136 Cb 0.00 -3.32 0.63 0.00 0.00 0.00 0.00 23.12 20.42 2pfs s ALA 136 CO 0.00 -0.37 1.52 1.63 0.00 0.00 0.00 175.76 178.54 2pfs n LYS 137 N 0.00 2.73 -4.28 0.00 4.01 -1.26 -4.93 118.16 114.44 2pfs n LYS 137 Ca 0.05 -2.54 -0.16 0.00 -0.51 0.00 0.00 58.31 55.15 2pfs n LYS 137 Cb 0.48 -1.58 -0.10 0.00 -0.51 0.00 0.00 35.03 33.32 2pfs n LYS 137 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2pfs s ASP 139 N -3.28 4.98 -0.06 0.00 1.11 -1.23 -4.87 116.67 113.33 2pfs s ASP 139 Ca 0.38 2.54 0.03 0.00 0.18 0.00 0.00 52.55 55.69 2pfs s ASP 139 Cb 0.06 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.44 2pfs s ASP 139 CO 0.16 -1.74 -0.16 -0.69 1.18 0.00 0.00 175.17 173.92 2pfs s VAL 140 N -1.46 1.38 -0.31 -1.27 1.01 -1.26 -1.66 120.40 116.83 2pfs s VAL 140 Ca 0.78 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 2pfs s VAL 140 Cb -0.35 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 34.82 2pfs s VAL 140 CO 0.38 0.40 0.12 -0.22 0.00 0.00 0.00 175.10 175.79 2pfs s LEU 141 N 0.31 4.06 -0.30 3.92 2.96 0.98 -4.96 118.68 125.65 2pfs s LEU 141 Ca -0.10 -0.68 -0.11 0.00 -0.22 0.00 0.00 54.13 53.03 2pfs s LEU 141 Cb -0.14 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 2pfs s LEU 141 CO 0.04 -0.22 0.18 0.00 -1.32 0.00 0.00 176.35 175.03 2pfs s ALA 142 N 1.55 3.41 -0.31 5.97 0.00 -1.26 -0.88 121.76 130.24 2pfs s ALA 142 Ca 0.03 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.61 2pfs s ALA 142 Cb -0.17 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 2pfs s ALA 142 CO 0.04 -0.74 0.27 0.08 0.00 0.00 0.00 175.76 175.41 2pfs s VAL 143 N 1.70 5.25 0.05 0.00 1.01 0.15 -4.88 120.40 123.68 2pfs s VAL 143 Ca 0.06 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.81 2pfs s VAL 143 Cb -0.17 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 2pfs s VAL 143 CO 0.09 0.08 1.62 0.00 0.00 0.00 0.00 175.10 176.88 2pfs s ARG 144 N 1.85 4.21 0.00 2.72 3.03 -1.26 -0.45 118.95 129.05 2pfs s ARG 144 Ca 0.09 2.27 0.25 0.00 2.03 0.00 0.00 55.73 60.37 2pfs s ARG 144 Cb -0.17 -3.62 0.35 0.00 -1.03 0.00 0.00 34.95 30.48 2pfs s ARG 144 CO 0.11 -0.72 1.35 1.28 -1.13 0.00 0.00 175.30 176.19