#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm5 s VAL 3 N 0.00 5.33 -0.08 1.55 -7.23 -1.26 -4.84 120.40 113.87 1dm5 s VAL 3 Ca 0.00 0.16 -0.32 0.00 -1.81 0.00 0.00 61.98 60.01 1dm5 s VAL 3 Cb 0.00 -3.39 0.12 0.00 0.56 0.00 0.00 36.38 33.66 1dm5 s VAL 3 CO 0.00 0.50 1.07 0.00 -0.31 0.00 0.00 175.10 176.36 1dm5 s GLN 4 N -0.07 0.57 0.00 4.82 -2.07 -1.05 -4.88 119.66 116.98 1dm5 s GLN 4 Ca 0.10 -0.23 0.00 0.00 -1.82 0.00 0.00 55.36 53.41 1dm5 s GLN 4 Cb -0.11 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 32.06 1dm5 s GLN 4 CO 0.00 -0.25 0.00 0.41 -1.32 0.00 0.00 175.29 174.13 1dm5 n GLY 5 N -0.20 1.00 0.19 2.60 0.00 -1.12 -1.28 105.19 106.37 1dm5 n GLY 5 Ca -0.04 -1.95 0.05 0.00 0.00 0.00 0.00 46.02 44.08 1dm5 n GLY 5 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dm5 n THR 6 N -0.71 0.00 -4.51 2.61 -2.24 -0.64 -4.32 114.28 104.48 1dm5 n THR 6 Ca 0.00 -0.37 -0.33 0.00 -2.27 0.00 0.00 64.05 61.07 1dm5 n THR 6 Cb 0.00 1.10 -0.13 0.00 -2.10 0.00 0.00 70.33 69.20 1dm5 n THR 6 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1dm5 s VAL 7 N -1.45 3.65 0.13 2.28 1.01 -0.94 -4.92 120.40 120.17 1dm5 s VAL 7 Ca 0.07 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.67 1dm5 s VAL 7 Cb 0.08 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1dm5 s VAL 7 CO 0.28 0.50 -0.15 -0.54 0.00 0.00 0.00 175.10 175.19 1dm5 s LYS 8 N 0.36 1.07 0.26 2.72 1.02 -1.26 -4.68 119.74 119.22 1dm5 s LYS 8 Ca -0.06 -1.28 -0.31 0.00 0.02 0.00 0.00 55.97 54.34 1dm5 s LYS 8 Cb -0.15 -0.97 -0.13 0.00 -0.52 0.00 0.00 37.83 36.07 1dm5 s LYS 8 CO 0.04 0.19 1.46 -2.30 -0.92 0.00 0.00 175.35 173.82 1dm5 n PRO 9 N 0.45 2.24 -2.36 -1.68 -0.02 -1.26 -4.22 135.00 128.13 1dm5 n PRO 9 Ca -0.15 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 1dm5 n PRO 9 Cb 0.57 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 1dm5 n PRO 9 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1dm5 s HIS 10 N -0.05 3.41 0.74 6.00 2.46 -1.26 -4.93 115.29 121.68 1dm5 s HIS 10 Ca 0.67 1.44 -0.11 0.00 0.47 0.00 0.00 55.06 57.52 1dm5 s HIS 10 Cb -0.60 -3.44 0.04 0.00 -0.13 0.00 0.00 32.58 28.45 1dm5 s HIS 10 CO 0.49 -1.21 1.12 0.00 -2.47 0.00 0.00 174.74 172.67 1dm5 s ALA 11 N -0.19 2.83 -1.58 1.58 0.00 -1.26 -3.85 121.76 119.29 1dm5 s ALA 11 Ca 0.52 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 1dm5 s ALA 11 Cb -0.33 -2.96 0.10 0.00 0.00 0.00 0.00 23.12 19.93 1dm5 s ALA 11 CO 0.38 -1.35 0.75 0.45 0.00 0.00 0.00 175.76 175.99 1dm5 n SER 12 N -3.11 -2.91 -4.71 0.00 2.88 -1.26 -4.85 113.62 99.66 1dm5 n SER 12 Ca 0.07 -0.94 -0.42 0.00 -1.33 0.00 0.00 58.87 56.25 1dm5 n SER 12 Cb 0.59 -3.17 -0.03 0.00 -0.75 0.00 0.00 64.21 60.85 1dm5 n SER 12 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1dm5 s PHE 13 N -3.46 3.08 -0.27 0.66 5.36 -1.25 -5.00 117.98 117.09 1dm5 s PHE 13 Ca 0.52 0.85 -0.01 0.00 -0.96 0.00 0.00 56.93 57.34 1dm5 s PHE 13 Cb -0.28 -3.71 0.08 0.00 -0.34 0.00 0.00 43.02 38.78 1dm5 s PHE 13 CO 0.89 -2.57 0.05 1.21 -1.46 0.00 0.00 175.22 173.34 1dm5 s ASN 14 N 1.40 3.79 0.22 6.13 3.84 -1.26 -5.02 114.94 124.04 1dm5 s ASN 14 Ca 0.65 -1.40 -0.07 0.00 0.21 0.00 0.00 52.86 52.25 1dm5 s ASN 14 Cb -0.36 -0.91 0.18 0.00 -0.55 0.00 0.00 41.25 39.60 1dm5 s ASN 14 CO 0.30 -0.35 1.77 0.77 -2.79 0.00 0.00 177.10 176.79 1dm5 h SER 15 N 8.07 1.06 -0.23 -4.21 4.64 -1.94 -2.37 113.55 118.58 1dm5 h SER 15 Ca -0.14 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.00 1dm5 h SER 15 Cb 1.05 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1dm5 h SER 15 CO 0.43 0.97 0.13 -0.09 -0.87 0.00 0.00 176.83 177.41 1dm5 h ARG 16 N 1.10 0.27 -0.66 4.77 2.43 -1.94 -1.22 114.38 119.13 1dm5 h ARG 16 Ca 0.24 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1dm5 h ARG 16 Cb 0.27 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1dm5 h ARG 16 CO -0.01 0.18 0.43 0.93 -1.51 0.00 0.00 179.97 179.98 1dm5 h GLU 17 N 0.27 0.88 -0.73 0.20 5.08 -1.94 -0.86 114.58 117.48 1dm5 h GLU 17 Ca 0.09 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1dm5 h GLU 17 Cb -0.01 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 1dm5 h GLU 17 CO -0.04 0.59 0.45 -0.44 -1.00 0.00 0.00 179.01 178.57 1dm5 h ASP 18 N 0.90 0.86 -0.38 1.42 5.19 -1.22 0.19 116.42 123.38 1dm5 h ASP 18 Ca 0.24 -0.04 -0.13 0.00 -0.62 0.00 0.00 57.03 56.48 1dm5 h ASP 18 Cb -0.08 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.20 1dm5 h ASP 18 CO -0.05 0.66 -0.28 0.00 -3.12 0.00 0.00 179.24 176.45 1dm5 h ALA 19 N 1.49 0.54 -0.44 3.45 0.00 -0.61 -1.83 119.26 121.87 1dm5 h ALA 19 Ca 0.26 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1dm5 h ALA 19 Cb -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1dm5 h ALA 19 CO -0.05 0.57 -0.00 0.93 0.00 0.00 0.00 179.25 180.69 1dm5 h GLU 20 N 0.66 0.72 -0.16 0.00 4.39 -0.43 -1.71 114.58 118.05 1dm5 h GLU 20 Ca 0.07 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1dm5 h GLU 20 Cb 0.86 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1dm5 h GLU 20 CO 0.07 0.74 0.01 1.15 -1.16 0.00 0.00 179.01 179.82 1dm5 h THR 21 N 0.68 0.90 -0.65 1.13 2.02 -0.46 -1.17 112.91 115.37 1dm5 h THR 21 Ca 0.13 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.33 1dm5 h THR 21 Cb 0.43 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1dm5 h THR 21 CO 0.02 0.01 0.43 -0.07 0.37 0.00 0.00 175.52 176.28 1dm5 h LEU 22 N 0.07 0.66 -0.08 2.58 3.38 -1.03 -1.97 115.31 118.91 1dm5 h LEU 22 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1dm5 h LEU 22 Cb 0.08 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1dm5 h LEU 22 CO -0.11 0.45 0.03 -0.09 0.09 0.00 0.00 178.44 178.80 1dm5 h ARG 23 N 0.76 0.12 -0.66 1.13 1.12 -0.60 -2.95 114.38 113.30 1dm5 h ARG 23 Ca 0.26 -0.02 0.12 0.00 -1.11 0.00 0.00 59.98 59.23 1dm5 h ARG 23 Cb 0.09 -0.02 -0.09 0.00 -0.01 0.00 0.00 29.97 29.94 1dm5 h ARG 23 CO -0.07 0.27 0.21 -0.22 -3.11 0.00 0.00 179.97 177.05 1dm5 h LYS 24 N -0.05 0.35 0.00 0.20 3.64 -0.71 0.15 116.57 120.14 1dm5 h LYS 24 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1dm5 h LYS 24 Cb 0.20 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1dm5 h LYS 24 CO -0.00 0.23 0.00 0.00 -2.27 0.00 0.00 179.45 177.41 1dm5 n ALA 25 N -2.54 1.42 -0.02 5.00 0.00 -0.79 -2.99 120.51 120.59 1dm5 n ALA 25 Ca 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 1dm5 n ALA 25 Cb 0.35 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1dm5 n ALA 25 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1dm5 n MET 26 N -1.64 2.84 -2.44 0.00 2.81 -0.04 -0.22 117.12 118.43 1dm5 n MET 26 Ca 0.02 -0.01 -0.40 0.00 -1.81 0.00 0.00 57.70 55.50 1dm5 n MET 26 Cb 0.12 -1.10 -0.04 0.00 -0.71 0.00 0.00 33.22 31.48 1dm5 n MET 26 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1dm5 s LYS 27 N -2.13 4.60 0.00 0.03 2.20 0.33 -4.81 119.74 119.96 1dm5 s LYS 27 Ca -0.02 1.84 0.00 0.00 -0.36 0.00 0.00 55.97 57.44 1dm5 s LYS 27 Cb 0.01 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1dm5 s LYS 27 CO 0.16 0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.71 1dm5 n GLY 28 N 1.26 -1.61 3.71 5.54 0.00 -1.26 -4.88 105.19 107.95 1dm5 n GLY 28 Ca -0.00 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 1dm5 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1dm5 n ILE 29 N -1.93 1.34 0.00 -0.61 5.41 -1.26 -4.74 119.36 117.56 1dm5 n ILE 29 Ca 0.00 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.42 1dm5 n ILE 29 Cb 0.00 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.22 1dm5 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dm5 n GLY 30 N 1.64 2.00 2.82 7.39 0.00 -1.26 -5.04 105.19 112.74 1dm5 n GLY 30 Ca 0.08 -1.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 1dm5 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dm5 s THR 31 N -2.77 0.60 -1.33 2.61 2.01 -1.26 -4.67 115.64 110.82 1dm5 s THR 31 Ca 0.00 -0.02 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 1dm5 s THR 31 Cb 0.00 -0.71 0.10 0.00 0.01 0.00 0.00 72.50 71.90 1dm5 s THR 31 CO 0.00 0.30 1.88 -0.67 -0.69 0.00 0.00 174.62 175.44 1dm5 n ASP 32 N 5.08 4.67 0.07 3.53 4.64 0.69 -4.79 116.55 130.44 1dm5 n ASP 32 Ca -0.09 -2.95 0.09 0.00 -1.38 0.00 0.00 54.79 50.46 1dm5 n ASP 32 Cb 0.50 -1.63 0.54 0.00 -1.04 0.00 0.00 41.12 39.50 1dm5 n ASP 32 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1dm5 h GLU 33 N 6.56 0.26 -0.52 -0.67 3.07 -1.98 -2.34 114.58 118.97 1dm5 h GLU 33 Ca 0.45 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.37 1dm5 h GLU 33 Cb 0.74 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.53 1dm5 h GLU 33 CO 1.60 0.17 0.20 0.87 -1.40 0.00 0.00 179.01 180.46 1dm5 h LYS 34 N 0.27 0.38 -0.36 2.33 1.57 -1.98 0.10 116.57 118.88 1dm5 h LYS 34 Ca 0.14 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.76 1dm5 h LYS 34 Cb 0.21 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1dm5 h LYS 34 CO -0.03 0.25 -0.31 1.03 -0.57 0.00 0.00 179.45 179.82 1dm5 h SER 35 N 0.39 0.82 -0.33 0.86 0.87 -1.85 -2.39 113.55 111.91 1dm5 h SER 35 Ca 0.25 -0.33 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1dm5 h SER 35 Cb 0.25 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1dm5 h SER 35 CO -0.24 1.07 0.13 0.40 -0.53 0.00 0.00 176.83 177.66 1dm5 h ILE 36 N 0.66 1.19 -0.45 2.23 2.04 -0.92 -1.82 117.51 120.44 1dm5 h ILE 36 Ca 0.07 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1dm5 h ILE 36 Cb 0.85 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 1dm5 h ILE 36 CO 0.07 0.20 0.14 0.74 0.00 0.00 0.00 178.15 179.31 1dm5 h THR 37 N 0.39 0.84 -0.61 -0.27 2.02 -0.83 -1.64 112.91 112.80 1dm5 h THR 37 Ca 0.11 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 1dm5 h THR 37 Cb 0.19 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1dm5 h THR 37 CO -0.01 0.06 0.24 -0.74 0.37 0.00 0.00 175.52 175.44 1dm5 h HIS 38 N 0.31 0.93 0.08 3.16 -0.00 -1.19 0.58 115.15 119.01 1dm5 h HIS 38 Ca 0.21 -0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1dm5 h HIS 38 Cb 0.22 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1dm5 h HIS 38 CO -0.17 0.74 -0.04 0.82 -0.00 0.00 0.00 177.93 179.28 1dm5 h ILE 39 N 0.85 1.01 -0.58 6.26 1.08 -1.13 -2.29 117.51 122.71 1dm5 h ILE 39 Ca 0.20 -0.33 -0.09 0.00 -0.39 0.00 0.00 64.86 64.26 1dm5 h ILE 39 Cb 0.20 1.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 1dm5 h ILE 39 CO -0.02 0.08 0.00 -0.07 -0.69 0.00 0.00 178.15 177.46 1dm5 h LEU 40 N -0.25 0.99 -0.00 1.44 3.38 -0.82 -2.69 115.31 117.35 1dm5 h LEU 40 Ca -0.01 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1dm5 h LEU 40 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1dm5 h LEU 40 CO 0.02 1.04 -0.26 0.00 0.09 0.00 0.00 178.44 179.32 1dm5 h ALA 41 N 1.06 0.83 -0.28 1.53 0.00 0.17 -3.32 119.26 119.25 1dm5 h ALA 41 Ca 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dm5 h ALA 41 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1dm5 h ALA 41 CO 0.03 0.33 0.00 0.25 0.00 0.00 0.00 179.25 179.86 1dm5 n THR 42 N -3.17 0.64 -4.60 0.00 -2.24 -0.87 -4.70 114.28 99.35 1dm5 n THR 42 Ca 0.03 -0.82 -0.33 0.00 -2.27 0.00 0.00 64.05 60.66 1dm5 n THR 42 Cb 0.64 0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 69.54 1dm5 n THR 42 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dm5 s ARG 43 N -1.06 2.58 0.90 -0.78 3.00 -1.02 -4.02 118.95 118.56 1dm5 s ARG 43 Ca 0.24 -0.67 -0.12 0.00 0.00 0.00 0.00 55.73 55.18 1dm5 s ARG 43 Cb 0.14 -2.49 0.13 0.00 0.00 0.00 0.00 34.95 32.73 1dm5 s ARG 43 CO 0.19 0.62 1.12 -1.54 0.00 0.00 0.00 175.30 175.69 1dm5 s SER 44 N -1.09 3.58 0.12 0.23 1.04 -1.26 -4.76 113.70 111.55 1dm5 s SER 44 Ca 0.14 1.07 -0.21 0.00 0.48 0.00 0.00 55.95 57.44 1dm5 s SER 44 Cb -0.11 -1.69 -0.06 0.00 0.10 0.00 0.00 66.02 64.26 1dm5 s SER 44 CO 0.04 -2.52 1.72 -1.13 0.98 0.00 0.00 173.24 172.33 1dm5 h ASN 45 N -1.47 -0.07 -1.00 7.02 -0.73 -1.95 -0.02 115.58 117.36 1dm5 h ASN 45 Ca -0.50 0.03 0.04 0.00 1.87 0.00 0.00 56.30 57.74 1dm5 h ASN 45 Cb 1.32 0.06 -0.06 0.00 0.27 0.00 0.00 38.32 39.91 1dm5 h ASN 45 CO 0.61 -0.01 0.65 0.00 -0.37 0.00 0.00 177.43 178.31 1dm5 h ALA 46 N 1.13 1.33 -0.73 1.57 0.00 -1.97 -1.60 119.26 118.98 1dm5 h ALA 46 Ca 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1dm5 h ALA 46 Cb 0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1dm5 h ALA 46 CO -0.12 0.55 0.23 1.96 0.00 0.00 0.00 179.25 181.87 1dm5 h GLN 47 N 1.27 1.14 -0.23 0.00 4.20 -1.74 -2.45 115.11 117.30 1dm5 h GLN 47 Ca 0.40 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.87 1dm5 h GLN 47 Cb 0.00 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1dm5 h GLN 47 CO -0.13 0.97 0.15 0.00 -0.67 0.00 0.00 178.83 179.16 1dm5 h ARG 48 N 1.09 0.27 -0.14 1.46 3.08 -0.08 -0.15 114.38 119.91 1dm5 h ARG 48 Ca 0.24 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.15 1dm5 h ARG 48 Cb 0.31 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1dm5 h ARG 48 CO -0.01 0.18 -0.46 1.96 -1.07 0.00 0.00 179.97 180.57 1dm5 h GLN 49 N 0.28 0.34 -0.08 0.04 1.08 -0.91 -1.20 115.11 114.66 1dm5 h GLN 49 Ca 0.09 -0.18 -0.14 0.00 -1.45 0.00 0.00 58.65 56.97 1dm5 h GLN 49 Cb 0.02 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1dm5 h GLN 49 CO -0.02 0.73 -0.57 1.96 -0.95 0.00 0.00 178.83 179.98 1dm5 h GLN 50 N 0.28 0.24 -0.42 1.46 4.20 -1.07 -2.00 115.11 117.79 1dm5 h GLN 50 Ca 0.02 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.49 1dm5 h GLN 50 Cb 0.91 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 1dm5 h GLN 50 CO 0.08 0.75 -0.08 0.82 -0.67 0.00 0.00 178.83 179.72 1dm5 h ILE 51 N 0.18 1.25 -0.40 2.54 2.04 -0.58 -1.45 117.51 121.08 1dm5 h ILE 51 Ca -0.00 -1.10 -0.15 0.00 1.00 0.00 0.00 64.86 64.61 1dm5 h ILE 51 Cb 1.06 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1dm5 h ILE 51 CO 0.09 0.38 -0.34 0.11 0.00 0.00 0.00 178.15 178.39 1dm5 h LYS 52 N 0.68 0.93 -0.37 2.37 1.57 -0.89 0.08 116.57 120.95 1dm5 h LYS 52 Ca 0.12 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1dm5 h LYS 52 Cb 0.53 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1dm5 h LYS 52 CO 0.03 1.13 0.24 1.15 -0.57 0.00 0.00 179.45 181.43 1dm5 h THR 53 N 0.75 1.09 -0.43 -0.16 2.02 -1.15 -1.70 112.91 113.33 1dm5 h THR 53 Ca 0.07 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 1dm5 h THR 53 Cb 0.93 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1dm5 h THR 53 CO 0.09 0.09 0.06 0.44 0.37 0.00 0.00 175.52 176.57 1dm5 h ASP 54 N 0.50 0.69 -0.21 4.18 3.45 -1.08 -1.42 116.42 122.53 1dm5 h ASP 54 Ca 0.13 -0.27 0.05 0.00 0.43 0.00 0.00 57.03 57.38 1dm5 h ASP 54 Cb -0.06 -0.18 -0.05 0.00 -0.56 0.00 0.00 39.33 38.48 1dm5 h ASP 54 CO -0.03 0.78 -0.12 0.22 -1.57 0.00 0.00 179.24 178.52 1dm5 h TYR 55 N 0.58 -0.29 -0.60 4.55 5.03 -0.77 0.28 116.97 125.74 1dm5 h TYR 55 Ca 0.13 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.43 1dm5 h TYR 55 Cb 0.39 0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.80 1dm5 h TYR 55 CO 0.03 -0.18 0.22 1.15 -1.32 0.00 0.00 178.16 178.06 1dm5 h THR 56 N -0.11 1.22 -0.24 1.81 2.02 -1.17 0.14 112.91 116.58 1dm5 h THR 56 Ca 0.12 -0.70 -0.18 0.00 0.77 0.00 0.00 66.41 66.41 1dm5 h THR 56 Cb 0.28 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1dm5 h THR 56 CO -0.27 0.28 -0.57 0.74 0.37 0.00 0.00 175.52 176.07 1dm5 h THR 57 N 0.87 1.28 -0.29 3.16 2.02 -0.83 0.21 112.91 119.33 1dm5 h THR 57 Ca 0.20 -1.76 -0.15 0.00 0.77 0.00 0.00 66.41 65.47 1dm5 h THR 57 Cb 0.19 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1dm5 h THR 57 CO -0.02 0.57 -0.44 -0.07 0.37 0.00 0.00 175.52 175.93 1dm5 h LEU 58 N 0.57 0.80 0.00 2.58 3.38 -0.20 -3.37 115.31 119.07 1dm5 h LEU 58 Ca -0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1dm5 h LEU 58 Cb 1.18 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1dm5 h LEU 58 CO 0.12 1.12 -0.70 0.49 0.09 0.00 0.00 178.44 179.56 1dm5 n PHE 59 N -4.02 0.00 -1.23 1.13 3.72 0.47 -5.00 117.46 112.53 1dm5 n PHE 59 Ca -0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 1dm5 n PHE 59 Cb 0.56 -0.06 -0.02 0.00 -0.94 0.00 0.00 39.48 39.02 1dm5 n PHE 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dm5 n GLY 60 N 1.53 0.69 2.95 1.37 0.00 0.74 -5.02 105.19 107.45 1dm5 n GLY 60 Ca 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 1dm5 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm5 s LYS 61 N -2.58 0.21 0.26 1.61 1.02 -1.25 -5.07 119.74 113.94 1dm5 s LYS 61 Ca 0.00 -0.36 -0.23 0.00 0.02 0.00 0.00 55.97 55.40 1dm5 s LYS 61 Cb 0.00 0.08 -0.09 0.00 -0.52 0.00 0.00 37.83 37.30 1dm5 s LYS 61 CO 0.00 -0.04 0.83 -1.01 -0.92 0.00 0.00 175.35 174.22 1dm5 s HIS 62 N -0.91 3.70 0.21 3.18 3.76 -1.26 -3.68 115.29 120.28 1dm5 s HIS 62 Ca -0.10 1.60 -0.09 0.00 -0.15 0.00 0.00 55.06 56.32 1dm5 s HIS 62 Cb -0.06 -2.78 0.28 0.00 1.11 0.00 0.00 32.58 31.13 1dm5 s HIS 62 CO -0.00 0.30 1.77 1.25 -0.85 0.00 0.00 174.74 177.20 1dm5 h LEU 63 N 3.40 0.36 -0.81 0.89 6.46 -1.92 -1.89 115.31 121.81 1dm5 h LEU 63 Ca -0.47 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.41 1dm5 h LEU 63 Cb 1.19 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 41.07 1dm5 h LEU 63 CO 0.65 0.21 0.49 -0.33 -0.62 0.00 0.00 178.44 178.84 1dm5 h GLU 64 N 0.51 0.87 -0.33 1.25 3.07 -1.97 -0.56 114.58 117.41 1dm5 h GLU 64 Ca 0.31 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 59.01 1dm5 h GLU 64 Cb 0.34 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1dm5 h GLU 64 CO -0.27 0.58 -0.25 -0.44 -1.40 0.00 0.00 179.01 177.23 1dm5 h ASP 65 N 0.90 0.67 -0.76 1.42 3.32 -1.76 -0.09 116.42 120.11 1dm5 h ASP 65 Ca 0.35 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1dm5 h ASP 65 Cb 0.17 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1dm5 h ASP 65 CO -0.17 0.90 0.31 -0.33 -1.72 0.00 0.00 179.24 178.23 1dm5 h GLU 66 N 0.58 1.14 -0.16 3.56 4.39 -0.69 -2.22 114.58 121.18 1dm5 h GLU 66 Ca 0.08 -0.20 -0.13 0.00 0.34 0.00 0.00 59.36 59.45 1dm5 h GLU 66 Cb 0.73 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1dm5 h GLU 66 CO 0.06 0.92 -0.39 -0.07 -1.16 0.00 0.00 179.01 178.37 1dm5 h LEU 67 N 1.12 0.62 -1.80 1.33 3.38 -0.76 0.09 115.31 119.30 1dm5 h LEU 67 Ca 0.26 -0.57 0.25 0.00 0.09 0.00 0.00 57.88 57.91 1dm5 h LEU 67 Cb 0.20 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1dm5 h LEU 67 CO -0.02 1.08 0.65 0.11 0.09 0.00 0.00 178.44 180.35 1dm5 h LYS 68 N 0.19 0.15 0.13 1.13 1.57 -0.89 0.49 116.57 119.33 1dm5 h LYS 68 Ca -0.00 -0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 58.48 1dm5 h LYS 68 Cb 1.00 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 1dm5 h LYS 68 CO 0.08 0.10 -1.47 1.03 -0.57 0.00 0.00 179.45 178.63 1dm5 h SER 69 N 0.15 0.42 0.87 0.86 0.87 -1.16 -3.41 113.55 112.15 1dm5 h SER 69 Ca 0.47 -0.87 -0.13 0.00 -1.23 0.00 0.00 61.79 60.03 1dm5 h SER 69 Cb 1.59 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.40 1dm5 h SER 69 CO -0.09 1.65 -1.21 -0.33 -0.53 0.00 0.00 176.83 176.33 1dm5 h GLU 70 N -0.24 0.00 -6.17 2.24 4.39 0.19 -3.47 114.58 111.52 1dm5 h GLU 70 Ca -0.31 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.89 1dm5 h GLU 70 Cb 1.81 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.43 1dm5 h GLU 70 CO 0.08 0.26 -0.41 -0.51 -1.16 0.00 0.00 179.01 177.27 1dm5 s LEU 71 N -5.80 3.43 0.13 1.33 1.43 0.16 -5.03 118.68 114.33 1dm5 s LEU 71 Ca -0.01 -0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 52.32 1dm5 s LEU 71 Cb 0.09 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1dm5 s LEU 71 CO 0.80 -0.56 0.22 -0.94 0.23 0.00 0.00 176.35 176.10 1dm5 s SER 72 N -4.08 0.11 0.42 2.29 1.04 -1.26 -4.74 113.70 107.48 1dm5 s SER 72 Ca 0.46 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1dm5 s SER 72 Cb -0.04 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1dm5 s SER 72 CO 0.27 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1dm5 n GLY 73 N -0.14 1.07 0.35 7.32 0.00 -1.26 -1.89 105.19 110.65 1dm5 n GLY 73 Ca -0.10 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.42 1dm5 n GLY 73 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1dm5 h ASN 74 N 3.87 0.90 -0.90 1.61 2.35 -2.00 -0.25 115.58 121.15 1dm5 h ASN 74 Ca 0.00 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1dm5 h ASN 74 Cb 0.00 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.18 1dm5 h ASN 74 CO 0.00 0.50 0.59 0.22 -1.65 0.00 0.00 177.43 177.09 1dm5 h TYR 75 N 0.99 1.09 -0.21 1.19 -0.00 -1.91 0.19 116.97 118.31 1dm5 h TYR 75 Ca 0.47 0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 59.20 1dm5 h TYR 75 Cb 0.41 -0.36 -0.01 0.00 -0.00 0.00 0.00 36.73 36.76 1dm5 h TYR 75 CO -0.02 0.63 0.05 1.49 -0.00 0.00 0.00 178.16 180.32 1dm5 h GLU 76 N 1.13 0.33 -0.56 1.82 4.81 -0.33 -1.03 114.58 120.74 1dm5 h GLU 76 Ca 0.36 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 1dm5 h GLU 76 Cb 0.03 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1dm5 h GLU 76 CO -0.11 0.46 0.16 0.00 -0.73 0.00 0.00 179.01 178.79 1dm5 h ALA 77 N 0.86 0.74 -0.43 2.92 0.00 -1.01 0.04 119.26 122.39 1dm5 h ALA 77 Ca 0.07 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1dm5 h ALA 77 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1dm5 h ALA 77 CO 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 179.25 179.37 1dm5 h ALA 78 N 1.03 0.65 -0.14 0.00 0.00 -0.90 0.49 119.26 120.39 1dm5 h ALA 78 Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1dm5 h ALA 78 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dm5 h ALA 78 CO -0.00 0.68 0.09 0.00 0.00 0.00 0.00 179.25 180.01 1dm5 h ALA 79 N 0.84 0.18 -0.42 0.00 0.00 -1.02 -2.25 119.26 116.59 1dm5 h ALA 79 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1dm5 h ALA 79 Cb 0.89 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1dm5 h ALA 79 CO 0.08 -0.32 0.16 -0.07 0.00 0.00 0.00 179.25 179.11 1dm5 h LEU 80 N 0.17 0.58 -1.63 0.00 4.07 -0.78 -2.45 115.31 115.27 1dm5 h LEU 80 Ca 0.05 -0.17 0.09 0.00 0.08 0.00 0.00 57.88 57.93 1dm5 h LEU 80 Cb 0.01 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.56 1dm5 h LEU 80 CO -0.01 0.59 0.40 0.00 -1.08 0.00 0.00 178.44 178.34 1dm5 h ALA 81 N 1.01 2.00 0.00 1.53 0.00 0.07 -0.51 119.26 123.35 1dm5 h ALA 81 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1dm5 h ALA 81 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1dm5 h ALA 81 CO -0.01 -0.12 0.00 -0.07 0.00 0.00 0.00 179.25 179.05 1dm5 h LEU 82 N 0.42 0.00 0.00 0.00 3.38 -0.95 -3.17 115.31 114.99 1dm5 h LEU 82 Ca 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1dm5 h LEU 82 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1dm5 h LEU 82 CO -0.07 0.00 -0.34 -0.07 0.09 0.00 0.00 178.44 178.05 1dm5 h LEU 83 N 0.00 0.00 -9.96 1.67 3.38 -0.73 -3.47 115.31 106.21 1dm5 h LEU 83 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1dm5 h LEU 83 Cb 0.85 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.66 1dm5 h LEU 83 CO 0.00 0.30 0.52 -0.13 0.09 0.00 0.00 178.44 179.22 1dm5 s ARG 84 N -3.06 3.96 0.60 1.13 1.81 -1.11 -4.83 118.95 117.45 1dm5 s ARG 84 Ca 0.05 1.88 -0.19 0.00 -1.72 0.00 0.00 55.73 55.75 1dm5 s ARG 84 Cb 0.07 -2.62 -0.03 0.00 -0.45 0.00 0.00 34.95 31.91 1dm5 s ARG 84 CO 0.72 -0.42 1.27 0.15 -0.68 0.00 0.00 175.30 176.34 1dm5 s LYS 85 N -2.39 2.89 0.20 3.54 1.02 -1.26 -4.72 119.74 119.03 1dm5 s LYS 85 Ca 0.59 1.99 -0.11 0.00 0.02 0.00 0.00 55.97 58.46 1dm5 s LYS 85 Cb -0.32 -1.98 0.14 0.00 -0.52 0.00 0.00 37.83 35.15 1dm5 s LYS 85 CO 0.40 -1.31 1.86 -1.35 -0.92 0.00 0.00 175.35 174.02 1dm5 h PRO 86 N 0.93 0.95 -0.05 -1.68 0.11 -1.95 0.29 132.00 130.61 1dm5 h PRO 86 Ca -0.51 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 65.41 1dm5 h PRO 86 Cb 1.31 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1dm5 h PRO 86 CO 0.55 0.65 -0.56 -0.44 -0.21 0.00 0.00 178.00 178.00 1dm5 h ASP 87 N 0.97 0.15 -0.42 -2.05 3.32 -1.93 -2.98 116.42 113.49 1dm5 h ASP 87 Ca 0.26 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1dm5 h ASP 87 Cb -0.08 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1dm5 h ASP 87 CO -0.05 0.68 0.12 -0.08 -1.72 0.00 0.00 179.24 178.19 1dm5 h GLU 88 N 0.10 0.66 -0.22 3.56 4.81 -1.72 -2.12 114.58 119.65 1dm5 h GLU 88 Ca -0.00 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1dm5 h GLU 88 Cb 1.01 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 1dm5 h GLU 88 CO 0.08 0.65 0.01 0.35 -0.73 0.00 0.00 179.01 179.38 1dm5 h PHE 89 N 0.53 0.02 0.00 0.92 3.57 -0.31 -0.62 116.94 121.06 1dm5 h PHE 89 Ca 0.13 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 1dm5 h PHE 89 Cb 0.28 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1dm5 h PHE 89 CO 0.01 -0.01 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.52 1dm5 h LEU 90 N 0.09 0.00 0.19 0.59 3.38 -1.53 -0.64 115.31 117.39 1dm5 h LEU 90 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1dm5 h LEU 90 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1dm5 h LEU 90 CO -0.16 0.49 -0.09 0.00 0.09 0.00 0.00 178.44 178.76 1dm5 h ALA 91 N 1.51 -0.25 -0.55 1.53 0.00 -0.87 0.23 119.26 120.86 1dm5 h ALA 91 Ca -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1dm5 h ALA 91 Cb 0.89 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1dm5 h ALA 91 CO 0.06 -0.59 0.18 1.49 0.00 0.00 0.00 179.25 180.40 1dm5 h GLU 92 N -0.36 0.82 -0.59 0.00 4.81 -0.97 0.10 114.58 118.39 1dm5 h GLU 92 Ca -0.03 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.01 1dm5 h GLU 92 Cb 0.28 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1dm5 h GLU 92 CO 0.04 0.70 0.16 1.96 -0.73 0.00 0.00 179.01 181.14 1dm5 h GLN 93 N 0.80 0.93 -0.35 1.92 1.08 -0.91 0.15 115.11 118.73 1dm5 h GLN 93 Ca 0.18 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1dm5 h GLN 93 Cb 0.22 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 1dm5 h GLN 93 CO -0.01 0.85 0.19 -0.07 -0.95 0.00 0.00 178.83 178.84 1dm5 h LEU 94 N 0.84 0.45 -0.18 1.46 3.38 0.20 -1.43 115.31 120.03 1dm5 h LEU 94 Ca 0.19 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1dm5 h LEU 94 Cb 0.33 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1dm5 h LEU 94 CO -0.00 0.42 -0.18 -0.74 0.09 0.00 0.00 178.44 178.03 1dm5 h HIS 95 N 0.44 -0.47 0.00 1.13 2.76 -0.38 -1.12 115.15 117.52 1dm5 h HIS 95 Ca 0.12 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1dm5 h HIS 95 Cb 0.08 0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 1dm5 h HIS 95 CO -0.02 -0.26 -0.15 0.00 -1.30 0.00 0.00 177.93 176.20 1dm5 h ALA 96 N 0.87 1.14 0.00 5.26 0.00 -0.56 -0.81 119.26 125.15 1dm5 h ALA 96 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dm5 h ALA 96 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1dm5 h ALA 96 CO -0.30 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.13 1dm5 h ALA 97 N 1.85 1.00 0.00 0.00 0.00 -0.08 -3.28 119.26 118.75 1dm5 h ALA 97 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1dm5 h ALA 97 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1dm5 h ALA 97 CO 0.02 0.00 -1.90 -1.33 0.00 0.00 0.00 179.25 176.04 1dm5 n MET 98 N -2.46 0.37 -0.31 0.00 2.81 -0.72 -0.55 117.12 116.26 1dm5 n MET 98 Ca 0.03 0.12 0.10 0.00 -1.81 0.00 0.00 57.70 56.14 1dm5 n MET 98 Cb 0.33 -1.21 0.27 0.00 -0.71 0.00 0.00 33.22 31.90 1dm5 n MET 98 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1dm5 n LYS 99 N -3.32 2.71 0.00 0.03 4.76 -0.39 -4.75 118.16 117.21 1dm5 n LYS 99 Ca -0.30 -2.47 0.00 0.00 -2.87 0.00 0.00 58.31 52.67 1dm5 n LYS 99 Cb 0.76 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 1dm5 n LYS 99 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dm5 n GLY 100 N 1.36 0.69 3.64 0.72 0.00 -1.24 -4.99 105.19 105.38 1dm5 n GLY 100 Ca 0.21 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 1dm5 n GLY 100 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dm5 s LEU 101 N 0.00 3.99 0.11 0.99 0.20 -1.26 -4.81 118.68 117.90 1dm5 s LEU 101 Ca 0.00 1.25 0.00 0.00 0.69 0.00 0.00 54.13 56.07 1dm5 s LEU 101 Cb 0.00 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 1dm5 s LEU 101 CO 0.00 -0.87 0.00 0.61 -0.29 0.00 0.00 176.35 175.80 1dm5 n GLY 102 N 3.84 -1.57 3.33 7.98 0.00 -1.26 -4.83 105.19 112.68 1dm5 n GLY 102 Ca 0.13 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 1dm5 n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dm5 s THR 103 N -1.54 3.41 -1.33 2.61 2.01 -1.26 -4.67 115.64 114.88 1dm5 s THR 103 Ca 0.00 -0.49 -0.15 0.00 0.31 0.00 0.00 61.69 61.36 1dm5 s THR 103 Cb 0.00 -2.54 0.09 0.00 0.01 0.00 0.00 72.50 70.06 1dm5 s THR 103 CO 0.00 0.44 1.83 -0.67 -0.69 0.00 0.00 174.62 175.53 1dm5 n ASP 104 N 4.57 4.72 0.16 3.53 4.64 0.29 -4.85 116.55 129.62 1dm5 n ASP 104 Ca -0.18 -2.93 0.02 0.00 -1.38 0.00 0.00 54.79 50.32 1dm5 n ASP 104 Cb 0.51 -1.67 0.25 0.00 -1.04 0.00 0.00 41.12 39.18 1dm5 n ASP 104 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1dm5 h LYS 105 N 6.88 0.00 -0.68 -0.67 1.57 -1.96 -2.35 116.57 119.36 1dm5 h LYS 105 Ca 0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.21 1dm5 h LYS 105 Cb 0.78 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 1dm5 h LYS 105 CO 1.56 0.50 0.35 -0.91 -0.57 0.00 0.00 179.45 180.37 1dm5 h ASN 106 N 0.00 0.85 -0.10 0.86 -0.26 -1.98 0.22 115.58 115.17 1dm5 h ASN 106 Ca -0.01 -0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 55.66 1dm5 h ASN 106 Cb 0.98 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 38.02 1dm5 h ASN 106 CO 0.07 0.71 0.06 0.00 -1.06 0.00 0.00 177.43 177.21 1dm5 h ALA 107 N 1.43 0.13 -0.89 -0.83 0.00 -1.85 0.16 119.26 117.41 1dm5 h ALA 107 Ca 0.24 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1dm5 h ALA 107 Cb 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1dm5 h ALA 107 CO -0.03 -0.36 0.58 -0.07 0.00 0.00 0.00 179.25 179.36 1dm5 h LEU 108 N 0.11 0.88 -0.14 0.00 3.38 -1.02 -1.42 115.31 117.09 1dm5 h LEU 108 Ca 0.04 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1dm5 h LEU 108 Cb 0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1dm5 h LEU 108 CO -0.01 0.57 -0.26 0.40 0.09 0.00 0.00 178.44 179.23 1dm5 h ILE 109 N 1.00 1.36 -0.94 1.22 2.04 -0.33 0.25 117.51 122.11 1dm5 h ILE 109 Ca 0.38 -1.52 0.08 0.00 1.00 0.00 0.00 64.86 64.80 1dm5 h ILE 109 Cb 0.20 2.00 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 1dm5 h ILE 109 CO -0.14 0.45 0.61 0.44 0.00 0.00 0.00 178.15 179.51 1dm5 h ASP 110 N 0.04 0.91 0.13 1.72 3.45 -0.38 -1.05 116.42 121.23 1dm5 h ASP 110 Ca 0.01 0.02 -0.24 0.00 0.43 0.00 0.00 57.03 57.25 1dm5 h ASP 110 Cb 0.85 -0.17 0.01 0.00 -0.56 0.00 0.00 39.33 39.46 1dm5 h ASP 110 CO 0.06 0.55 -1.16 0.40 -1.57 0.00 0.00 179.24 177.52 1dm5 h ILE 111 N 1.01 1.24 -0.01 0.35 2.04 -1.15 -3.39 117.51 117.60 1dm5 h ILE 111 Ca 0.42 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.82 1dm5 h ILE 111 Cb 0.31 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1dm5 h ILE 111 CO -0.18 0.71 -0.59 0.18 0.00 0.00 0.00 178.15 178.27 1dm5 n LEU 112 N -4.01 1.34 -0.82 1.44 4.77 0.87 -4.30 117.00 116.29 1dm5 n LEU 112 Ca -0.20 -0.49 0.09 0.00 -0.03 0.00 0.00 56.01 55.38 1dm5 n LEU 112 Cb 0.87 -0.06 0.13 0.00 -2.33 0.00 0.00 43.42 42.04 1dm5 n LEU 112 CO 0.45 0.27 0.59 0.00 -1.33 0.00 0.00 177.39 177.37 1dm5 n THR 114 N 1.05 0.64 -3.73 0.00 -2.24 -1.26 -4.45 114.28 104.28 1dm5 n THR 114 Ca 0.13 -0.67 -0.20 0.00 -2.27 0.00 0.00 64.05 61.04 1dm5 n THR 114 Cb 0.48 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 1dm5 n THR 114 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1dm5 s GLN 115 N -0.73 3.17 0.49 -0.78 -1.52 -1.26 -5.10 119.66 113.94 1dm5 s GLN 115 Ca 0.03 -0.96 -0.03 0.00 -1.95 0.00 0.00 55.36 52.45 1dm5 s GLN 115 Cb 0.03 -2.79 -0.01 0.00 -0.22 0.00 0.00 33.01 30.02 1dm5 s GLN 115 CO 0.00 0.22 0.76 -1.54 -0.25 0.00 0.00 175.29 174.48 1dm5 s SER 116 N -4.06 5.86 0.11 5.90 1.04 -1.26 -4.87 113.70 116.42 1dm5 s SER 116 Ca 0.40 0.55 -0.33 0.00 0.48 0.00 0.00 55.95 57.05 1dm5 s SER 116 Cb -0.09 -1.75 -0.13 0.00 0.10 0.00 0.00 66.02 64.15 1dm5 s SER 116 CO 0.29 -0.77 1.53 0.78 0.98 0.00 0.00 173.24 176.05 1dm5 h ASN 117 N 0.20 -1.64 -0.80 7.02 2.35 -1.93 0.27 115.58 121.06 1dm5 h ASN 117 Ca -0.46 0.19 0.03 0.00 -0.55 0.00 0.00 56.30 55.51 1dm5 h ASN 117 Cb 1.24 0.63 -0.04 0.00 0.05 0.00 0.00 38.32 40.20 1dm5 h ASN 117 CO 0.59 -0.49 0.53 0.00 -1.65 0.00 0.00 177.43 176.42 1dm5 h ALA 118 N -0.40 1.51 -0.39 -0.83 0.00 -1.96 -0.58 119.26 116.61 1dm5 h ALA 118 Ca 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1dm5 h ALA 118 Cb 0.68 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1dm5 h ALA 118 CO -0.39 0.42 0.24 1.96 0.00 0.00 0.00 179.25 181.48 1dm5 h GLN 119 N 1.00 0.47 -0.48 0.00 4.20 -1.49 -0.86 115.11 117.95 1dm5 h GLN 119 Ca 0.32 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1dm5 h GLN 119 Cb 0.02 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1dm5 h GLN 119 CO -0.09 0.31 0.28 -0.84 -0.67 0.00 0.00 178.83 177.82 1dm5 h ILE 120 N 0.49 1.16 -0.51 2.54 3.07 0.87 -2.10 117.51 123.03 1dm5 h ILE 120 Ca 0.15 -0.39 0.05 0.00 1.55 0.00 0.00 64.86 66.22 1dm5 h ILE 120 Cb -0.02 0.54 -0.05 0.00 -0.27 0.00 0.00 36.82 37.03 1dm5 h ILE 120 CO -0.06 0.17 0.25 0.45 -1.05 0.00 0.00 178.15 177.91 1dm5 h HIS 121 N 0.64 0.46 -0.78 0.16 3.86 -0.77 0.59 115.15 119.31 1dm5 h HIS 121 Ca 0.17 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.47 1dm5 h HIS 121 Cb 0.02 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 28.30 1dm5 h HIS 121 CO -0.02 0.22 0.46 0.00 0.86 0.00 0.00 177.93 179.45 1dm5 h ALA 122 N 1.28 1.07 -0.50 2.45 0.00 -0.89 -0.23 119.26 122.45 1dm5 h ALA 122 Ca 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1dm5 h ALA 122 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1dm5 h ALA 122 CO -0.17 0.17 0.14 0.82 0.00 0.00 0.00 179.25 180.21 1dm5 h ILE 123 N 0.84 1.23 -0.38 0.00 2.04 -0.41 -0.99 117.51 119.85 1dm5 h ILE 123 Ca 0.35 -0.80 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 1dm5 h ILE 123 Cb 0.20 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1dm5 h ILE 123 CO -0.18 0.29 -0.01 0.11 0.00 0.00 0.00 178.15 178.36 1dm5 h LYS 124 N 0.68 0.60 -0.36 2.37 1.57 -0.47 0.14 116.57 121.10 1dm5 h LYS 124 Ca 0.16 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1dm5 h LYS 124 Cb 0.30 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1dm5 h LYS 124 CO -0.00 0.63 0.01 0.00 -0.57 0.00 0.00 179.45 179.52 1dm5 h ALA 125 N 1.43 0.48 -0.31 3.86 0.00 -0.74 -2.31 119.26 121.66 1dm5 h ALA 125 Ca 0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1dm5 h ALA 125 Cb 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1dm5 h ALA 125 CO 0.01 0.24 -0.13 0.00 0.00 0.00 0.00 179.25 179.38 1dm5 h ALA 126 N 0.87 1.19 -0.44 0.00 0.00 -0.88 -2.23 119.26 117.78 1dm5 h ALA 126 Ca 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1dm5 h ALA 126 Cb 0.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1dm5 h ALA 126 CO 0.02 0.52 0.15 0.35 0.00 0.00 0.00 179.25 180.29 1dm5 h PHE 127 N 0.50 0.69 -0.06 0.00 3.04 -0.67 -1.48 116.94 118.96 1dm5 h PHE 127 Ca 0.09 -0.06 0.02 0.00 3.98 0.00 0.00 57.97 61.99 1dm5 h PHE 127 Cb 0.52 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 1dm5 h PHE 127 CO 0.02 0.61 -0.04 -0.22 -2.02 0.00 0.00 178.31 176.66 1dm5 h LYS 128 N 0.57 -0.04 -0.93 1.11 3.64 -1.29 0.23 116.57 119.85 1dm5 h LYS 128 Ca 0.14 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.75 1dm5 h LYS 128 Cb 0.23 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 31.94 1dm5 h LYS 128 CO -0.01 -0.03 0.48 1.25 -2.27 0.00 0.00 179.45 178.87 1dm5 h LEU 129 N -0.04 0.49 0.16 5.20 5.85 -1.26 1.03 115.31 126.74 1dm5 h LEU 129 Ca 0.04 0.14 -0.33 0.00 0.84 0.00 0.00 57.88 58.57 1dm5 h LEU 129 Cb 0.10 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1dm5 h LEU 129 CO -0.09 0.06 -1.68 -0.07 -0.34 0.00 0.00 178.44 176.33 1dm5 h LEU 130 N 0.50 0.54 -0.63 2.25 3.38 -0.57 -3.40 115.31 117.38 1dm5 h LEU 130 Ca 0.58 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1dm5 h LEU 130 Cb 1.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1dm5 h LEU 130 CO -0.49 1.75 -0.08 -1.22 0.09 0.00 0.00 178.44 178.49 1dm5 n TYR 131 N -3.68 0.00 -2.82 1.13 4.02 0.74 -4.99 117.16 111.57 1dm5 n TYR 131 Ca -0.25 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.43 1dm5 n TYR 131 Cb 1.03 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.36 1dm5 n TYR 131 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1dm5 n LYS 132 N -0.37 -3.52 -4.12 -0.72 4.76 0.35 -4.93 118.16 109.61 1dm5 n LYS 132 Ca 0.02 0.85 -0.09 0.00 -2.87 0.00 0.00 58.31 56.21 1dm5 n LYS 132 Cb 0.08 -5.62 -0.10 0.00 -1.84 0.00 0.00 35.03 27.56 1dm5 n LYS 132 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1dm5 s GLU 133 N -5.48 0.93 -0.21 1.97 -6.30 -1.26 -5.06 118.70 103.28 1dm5 s GLU 133 Ca 0.20 -1.39 -0.17 0.00 -2.50 0.00 0.00 54.97 51.11 1dm5 s GLU 133 Cb -0.09 0.26 -0.03 0.00 0.00 0.00 0.00 34.13 34.26 1dm5 s GLU 133 CO 0.24 -0.27 0.47 0.34 0.02 0.00 0.00 175.26 176.07 1dm5 s ASP 134 N -3.03 6.48 0.28 -1.70 3.68 -1.26 -3.97 116.67 117.15 1dm5 s ASP 134 Ca 0.22 0.58 0.01 0.00 2.13 0.00 0.00 52.55 55.49 1dm5 s ASP 134 Cb 0.07 -2.27 0.57 0.00 -1.45 0.00 0.00 42.92 39.84 1dm5 s ASP 134 CO 0.01 -0.17 1.80 0.25 0.13 0.00 0.00 175.17 177.18 1dm5 h LEU 135 N 8.03 0.74 -0.61 -1.34 5.85 -1.93 -0.77 115.31 125.28 1dm5 h LEU 135 Ca -0.33 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1dm5 h LEU 135 Cb 1.15 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1dm5 h LEU 135 CO 0.72 0.34 0.19 -0.08 -0.34 0.00 0.00 178.44 179.28 1dm5 h GLU 136 N 0.80 0.95 -0.60 1.25 4.81 -1.98 0.17 114.58 119.98 1dm5 h GLU 136 Ca 0.49 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.42 1dm5 h GLU 136 Cb 0.62 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1dm5 h GLU 136 CO -0.32 0.84 -0.00 0.87 -0.73 0.00 0.00 179.01 179.67 1dm5 h LYS 137 N 0.87 1.05 -0.17 1.92 1.57 -1.72 -0.42 116.57 119.67 1dm5 h LYS 137 Ca 0.20 -0.33 -0.14 0.00 -1.87 0.00 0.00 60.65 58.50 1dm5 h LYS 137 Cb 0.29 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1dm5 h LYS 137 CO -0.01 1.03 -0.51 0.93 -0.57 0.00 0.00 179.45 180.32 1dm5 h GLU 138 N 0.96 0.46 -0.44 3.15 4.39 -0.86 -2.81 114.58 119.42 1dm5 h GLU 138 Ca 0.17 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1dm5 h GLU 138 Cb 0.56 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1dm5 h GLU 138 CO 0.03 0.86 0.20 0.82 -1.16 0.00 0.00 179.01 179.76 1dm5 h ILE 139 N 0.36 1.19 0.00 3.13 1.08 -0.23 -1.83 117.51 121.21 1dm5 h ILE 139 Ca 0.01 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1dm5 h ILE 139 Cb 1.01 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1dm5 h ILE 139 CO 0.09 0.21 0.00 0.40 -0.69 0.00 0.00 178.15 178.16 1dm5 h ILE 140 N 0.57 0.00 0.00 -0.67 2.04 -1.04 -2.26 117.51 116.15 1dm5 h ILE 140 Ca 0.15 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1dm5 h ILE 140 Cb 0.14 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1dm5 h ILE 140 CO -0.02 0.00 -0.48 -1.54 0.00 0.00 0.00 178.15 176.11 1dm5 n SER 141 N -2.87 0.68 -0.18 1.72 3.41 -0.70 -4.08 113.62 111.60 1dm5 n SER 141 Ca 0.00 0.19 0.02 0.00 -0.26 0.00 0.00 58.87 58.82 1dm5 n SER 141 Cb 0.23 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.16 1dm5 n SER 141 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dm5 n GLU 142 N -2.07 0.43 -4.28 4.33 -0.58 -0.88 -5.03 120.64 112.55 1dm5 n GLU 142 Ca 0.04 -0.70 -0.16 0.00 -0.42 0.00 0.00 57.16 55.91 1dm5 n GLU 142 Cb 0.43 -1.05 -0.10 0.00 -0.57 0.00 0.00 31.44 30.15 1dm5 n GLU 142 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1dm5 s THR 143 N -0.55 0.24 0.35 2.62 -4.23 -1.05 -4.88 115.64 108.14 1dm5 s THR 143 Ca 0.05 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.39 1dm5 s THR 143 Cb 0.04 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.39 1dm5 s THR 143 CO 0.08 0.00 0.76 -0.94 -0.54 0.00 0.00 174.62 173.98 1dm5 s SER 144 N -3.30 -0.07 0.92 3.99 1.04 -1.26 -4.76 113.70 110.26 1dm5 s SER 144 Ca 0.38 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1dm5 s SER 144 Cb 0.06 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1dm5 s SER 144 CO 0.16 -1.57 0.00 0.61 0.98 0.00 0.00 173.24 173.42 1dm5 n GLY 145 N -0.51 1.22 0.23 7.32 0.00 -1.26 -2.30 105.19 109.90 1dm5 n GLY 145 Ca -0.07 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.41 1dm5 n GLY 145 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1dm5 h ASN 146 N 9.08 0.00 -0.08 1.61 2.35 -2.01 -2.79 115.58 123.75 1dm5 h ASN 146 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1dm5 h ASN 146 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1dm5 h ASN 146 CO 0.00 0.16 -0.06 0.15 -1.65 0.00 0.00 177.43 176.03 1dm5 h PHE 147 N 0.00 0.20 -0.60 1.19 3.57 -1.94 -2.56 116.94 116.80 1dm5 h PHE 147 Ca -0.00 -0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.56 1dm5 h PHE 147 Cb 0.29 -0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.90 1dm5 h PHE 147 CO 0.00 0.58 0.12 0.37 -2.23 0.00 0.00 178.31 177.15 1dm5 h GLN 148 N -0.24 0.24 -0.26 1.11 4.15 -1.27 -2.27 115.11 116.57 1dm5 h GLN 148 Ca 0.01 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 1dm5 h GLN 148 Cb 0.54 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 1dm5 h GLN 148 CO 0.02 0.16 -0.01 0.00 -1.93 0.00 0.00 178.83 177.07 1dm5 h ARG 149 N 0.25 0.39 -0.37 1.69 3.08 -1.48 0.15 114.38 118.09 1dm5 h ARG 149 Ca 0.32 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.18 1dm5 h ARG 149 Cb 0.48 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1dm5 h ARG 149 CO -0.41 0.43 -0.20 1.25 -1.07 0.00 0.00 179.97 179.96 1dm5 h LEU 150 N 0.38 0.81 -0.62 3.04 5.85 -1.03 -1.71 115.31 122.04 1dm5 h LEU 150 Ca 0.09 -0.42 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1dm5 h LEU 150 Cb 0.27 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1dm5 h LEU 150 CO 0.01 1.05 0.22 -0.07 -0.34 0.00 0.00 178.44 179.31 1dm5 h LEU 151 N 0.58 0.87 -0.39 2.25 3.38 -0.81 -0.44 115.31 120.74 1dm5 h LEU 151 Ca 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1dm5 h LEU 151 Cb 0.75 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1dm5 h LEU 151 CO 0.06 0.82 0.26 0.58 0.09 0.00 0.00 178.44 180.25 1dm5 h VAL 152 N 0.87 1.10 -0.63 1.22 2.07 -0.67 -0.38 116.25 119.84 1dm5 h VAL 152 Ca 0.20 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1dm5 h VAL 152 Cb 0.24 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1dm5 h VAL 152 CO -0.01 0.10 0.34 0.28 0.02 0.00 0.00 177.57 178.29 1dm5 h SER 153 N 0.53 0.50 -0.56 0.57 0.02 -1.07 -2.08 113.55 111.46 1dm5 h SER 153 Ca 0.14 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1dm5 h SER 153 Cb -0.06 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1dm5 h SER 153 CO -0.03 0.32 0.29 0.24 -1.14 0.00 0.00 176.83 176.52 1dm5 h MET 154 N 0.63 0.81 0.00 3.45 2.07 -0.52 -2.80 114.93 118.57 1dm5 h MET 154 Ca 0.28 -0.09 0.00 0.00 -2.07 0.00 0.00 59.70 57.82 1dm5 h MET 154 Cb 0.18 -0.16 0.00 0.00 -1.87 0.00 0.00 31.60 29.75 1dm5 h MET 154 CO -0.18 0.62 0.00 1.28 1.07 0.00 0.00 176.91 179.70 1dm5 n LEU 155 N -4.37 0.29 0.10 1.22 4.77 -0.20 -2.90 117.00 115.91 1dm5 n LEU 155 Ca 0.05 0.55 -0.05 0.00 -0.03 0.00 0.00 56.01 56.53 1dm5 n LEU 155 Cb 0.12 -0.48 0.10 0.00 -2.33 0.00 0.00 43.42 40.83 1dm5 n LEU 155 CO 0.37 -0.22 0.42 1.56 -1.33 0.00 0.00 177.39 178.20 1dm5 h GLN 156 N 0.00 0.14 -3.72 3.23 1.08 -1.28 -3.47 115.11 111.08 1dm5 h GLN 156 Ca 0.00 -0.11 -0.21 0.00 -1.45 0.00 0.00 58.65 56.88 1dm5 h GLN 156 Cb 0.45 0.02 0.08 0.00 -0.05 0.00 0.00 27.48 27.98 1dm5 h GLN 156 CO 0.00 0.76 -0.38 0.41 -0.95 0.00 0.00 178.83 178.67 1dm5 n GLY 157 N 0.43 0.11 0.61 3.46 0.00 -1.14 -4.94 105.19 103.71 1dm5 n GLY 157 Ca -0.02 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1dm5 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm5 n GLY 158 N -1.26 4.09 3.75 -0.02 0.00 -1.26 -4.79 105.19 105.70 1dm5 n GLY 158 Ca -0.04 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 1dm5 n GLY 158 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dm5 s ARG 159 N -2.58 4.33 -1.24 1.61 3.52 -1.26 -4.84 118.95 118.50 1dm5 s ARG 159 Ca 0.36 2.20 -0.20 0.00 -0.13 0.00 0.00 55.73 57.96 1dm5 s ARG 159 Cb 0.29 -3.13 0.03 0.00 -1.56 0.00 0.00 34.95 30.58 1dm5 s ARG 159 CO 0.08 -0.30 1.76 0.21 -0.81 0.00 0.00 175.30 176.24 1dm5 s LYS 160 N -0.70 3.58 0.00 5.12 2.20 0.97 -4.76 119.74 126.16 1dm5 s LYS 160 Ca 0.55 -1.69 0.13 0.00 -0.36 0.00 0.00 55.97 54.60 1dm5 s LYS 160 Cb -0.40 -5.45 0.67 0.00 -1.51 0.00 0.00 37.83 31.15 1dm5 s LYS 160 CO 0.44 -2.67 1.30 0.39 -0.36 0.00 0.00 175.35 174.45 1dm5 n GLU 161 N 8.43 0.23 -0.20 4.03 1.02 -1.26 -1.82 120.64 131.07 1dm5 n GLU 161 Ca 0.46 0.13 0.06 0.00 -0.02 0.00 0.00 57.16 57.79 1dm5 n GLU 161 Cb 0.47 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.56 1dm5 n GLU 161 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1dm5 n ASP 162 N -1.22 3.06 -4.68 1.62 5.75 -1.26 -4.91 116.55 114.92 1dm5 n ASP 162 Ca 0.07 -2.02 -0.42 0.00 -0.01 0.00 0.00 54.79 52.41 1dm5 n ASP 162 Cb 0.09 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 39.89 1dm5 n ASP 162 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1dm5 s GLU 163 N -1.03 4.26 0.52 0.11 2.12 -0.75 -4.97 118.70 118.96 1dm5 s GLU 163 Ca 0.26 1.90 -0.15 0.00 0.36 0.00 0.00 54.97 57.34 1dm5 s GLU 163 Cb 0.14 -3.70 -0.07 0.00 0.26 0.00 0.00 34.13 30.76 1dm5 s GLU 163 CO 0.18 -0.64 0.97 -1.25 -0.54 0.00 0.00 175.26 173.97 1dm5 s PRO 164 N 2.96 3.87 0.09 4.30 0.04 -1.26 -4.53 135.00 140.46 1dm5 s PRO 164 Ca 0.62 0.87 -0.31 0.00 0.04 0.00 0.00 61.00 62.22 1dm5 s PRO 164 Cb -0.29 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 1dm5 s PRO 164 CO 0.23 -0.30 1.73 0.08 0.04 0.00 0.00 177.00 178.79 1dm5 s VAL 165 N -2.71 2.85 -0.22 -0.36 1.01 -1.26 -4.74 120.40 114.97 1dm5 s VAL 165 Ca 0.57 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.82 1dm5 s VAL 165 Cb -0.10 -3.19 0.09 0.00 0.00 0.00 0.00 36.38 33.18 1dm5 s VAL 165 CO 0.36 -0.00 0.19 0.21 0.00 0.00 0.00 175.10 175.86 1dm5 s ASN 166 N 2.62 1.83 0.21 3.32 3.84 -1.26 -5.05 114.94 120.45 1dm5 s ASN 166 Ca 0.77 -0.47 -0.09 0.00 0.21 0.00 0.00 52.86 53.28 1dm5 s ASN 166 Cb -0.42 0.20 0.23 0.00 -0.55 0.00 0.00 41.25 40.70 1dm5 s ASN 166 CO 0.34 -0.35 1.83 0.00 -2.79 0.00 0.00 177.10 176.13 1dm5 h ALA 167 N 8.34 0.92 0.60 1.71 0.00 -1.96 0.27 119.26 129.14 1dm5 h ALA 167 Ca -0.16 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1dm5 h ALA 167 Cb 1.13 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.75 1dm5 h ALA 167 CO 0.31 0.13 -0.29 0.00 0.00 0.00 0.00 179.25 179.40 1dm5 h ALA 168 N 1.33 -0.81 -0.13 0.00 0.00 -1.99 -1.04 119.26 116.62 1dm5 h ALA 168 Ca 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1dm5 h ALA 168 Cb 0.12 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1dm5 h ALA 168 CO -0.15 -0.95 0.05 0.45 0.00 0.00 0.00 179.25 178.65 1dm5 h HIS 169 N -0.83 0.17 -0.42 0.00 3.86 -1.92 -0.87 115.15 115.15 1dm5 h HIS 169 Ca -0.08 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.06 1dm5 h HIS 169 Cb 0.63 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 1dm5 h HIS 169 CO -0.03 0.15 -0.00 0.00 0.86 0.00 0.00 177.93 178.90 1dm5 h ALA 170 N 1.87 1.21 -0.00 2.45 0.00 0.02 -2.38 119.26 122.43 1dm5 h ALA 170 Ca 0.05 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 1dm5 h ALA 170 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1dm5 h ALA 170 CO -0.00 0.52 -0.91 0.00 0.00 0.00 0.00 179.25 178.86 1dm5 h ALA 171 N 1.36 0.43 -0.40 0.00 0.00 0.12 0.23 119.26 121.01 1dm5 h ALA 171 Ca 0.13 -0.71 0.03 0.00 0.00 0.00 0.00 54.91 54.36 1dm5 h ALA 171 Cb 0.41 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1dm5 h ALA 171 CO 0.02 0.85 0.19 0.93 0.00 0.00 0.00 179.25 181.23 1dm5 h GLU 172 N 0.19 0.37 -0.35 0.00 5.08 -1.13 -1.52 114.58 117.22 1dm5 h GLU 172 Ca -0.06 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1dm5 h GLU 172 Cb 1.54 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1dm5 h GLU 172 CO 0.15 0.25 -0.17 -0.44 -1.00 0.00 0.00 179.01 177.80 1dm5 h ASP 173 N 0.39 0.63 -0.57 1.42 3.45 -1.15 -1.67 116.42 118.93 1dm5 h ASP 173 Ca 0.17 -0.20 -0.10 0.00 0.43 0.00 0.00 57.03 57.33 1dm5 h ASP 173 Cb 0.09 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 1dm5 h ASP 173 CO -0.13 0.82 -0.05 0.00 -1.57 0.00 0.00 179.24 178.30 1dm5 h ALA 174 N 1.24 0.77 -0.51 3.45 0.00 -0.23 -2.56 119.26 121.42 1dm5 h ALA 174 Ca 0.09 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1dm5 h ALA 174 Cb 0.62 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1dm5 h ALA 174 CO 0.04 0.64 0.08 0.00 0.00 0.00 0.00 179.25 180.02 1dm5 h ALA 175 N 0.95 0.67 -0.53 0.00 0.00 -1.15 -1.53 119.26 117.68 1dm5 h ALA 175 Ca 0.15 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1dm5 h ALA 175 Cb 0.62 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1dm5 h ALA 175 CO 0.04 0.41 0.21 0.00 0.00 0.00 0.00 179.25 179.92 1dm5 h ALA 176 N 0.97 0.67 -0.19 0.00 0.00 -1.13 0.42 119.26 120.01 1dm5 h ALA 176 Ca 0.15 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1dm5 h ALA 176 Cb 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1dm5 h ALA 176 CO 0.01 -0.17 -0.40 0.82 0.00 0.00 0.00 179.25 179.51 1dm5 h ILE 177 N 0.41 1.30 0.20 0.00 2.04 -1.33 -1.32 117.51 118.81 1dm5 h ILE 177 Ca 0.25 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 1dm5 h ILE 177 Cb 0.26 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1dm5 h ILE 177 CO -0.24 0.48 -0.10 0.22 0.00 0.00 0.00 178.15 178.51 1dm5 h TYR 178 N 0.36 -0.25 -0.19 1.37 3.20 -0.66 -2.19 116.97 118.60 1dm5 h TYR 178 Ca 0.03 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1dm5 h TYR 178 Cb 0.86 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1dm5 h TYR 178 CO 0.03 -0.09 -0.10 1.96 -1.64 0.00 0.00 178.16 178.32 1dm5 h GLN 179 N -0.35 0.30 0.00 1.82 1.08 -0.76 0.19 115.11 117.39 1dm5 h GLN 179 Ca -0.03 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1dm5 h GLN 179 Cb 0.27 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1dm5 h GLN 179 CO 0.05 0.41 0.00 0.00 -0.95 0.00 0.00 178.83 178.34 1dm5 h ALA 180 N 1.62 1.00 -1.28 3.87 0.00 -1.11 -3.33 119.26 120.02 1dm5 h ALA 180 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1dm5 h ALA 180 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1dm5 h ALA 180 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1dm5 n GLY 181 N 0.62 0.04 0.15 0.00 0.00 -0.77 -0.14 105.19 105.10 1dm5 n GLY 181 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1dm5 n GLY 181 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1dm5 h GLU 182 N 0.00 0.42 0.00 1.61 5.08 -1.35 -3.16 114.58 117.19 1dm5 h GLU 182 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1dm5 h GLU 182 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1dm5 h GLU 182 CO 0.00 0.46 0.00 0.41 -1.00 0.00 0.00 179.01 178.88 1dm5 n GLY 183 N -0.69 -0.29 3.26 -3.84 0.00 0.53 -4.79 105.19 99.37 1dm5 n GLY 183 Ca -0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1dm5 n GLY 183 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dm5 s GLN 184 N -2.00 1.20 -0.00 1.61 -2.07 -1.19 -4.94 119.66 112.26 1dm5 s GLN 184 Ca 0.13 -1.50 -0.24 0.00 -1.82 0.00 0.00 55.36 51.92 1dm5 s GLN 184 Cb 0.06 0.30 -0.19 0.00 -1.09 0.00 0.00 33.01 32.10 1dm5 s GLN 184 CO 0.10 -0.41 1.30 0.82 -1.32 0.00 0.00 175.29 175.79 1dm5 h ILE 185 N 2.60 1.37 -2.97 3.63 1.08 -1.86 -3.46 117.51 117.90 1dm5 h ILE 185 Ca -0.34 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 62.98 1dm5 h ILE 185 Cb 1.24 2.06 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 1dm5 h ILE 185 CO 0.51 0.31 0.00 0.61 -0.69 0.00 0.00 178.15 178.89 1dm5 n GLY 186 N 0.18 0.62 3.16 5.37 0.00 -1.26 -5.12 105.19 108.14 1dm5 n GLY 186 Ca -0.08 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 1dm5 n GLY 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dm5 s THR 187 N 0.29 1.26 -0.94 2.61 2.01 -1.26 -4.67 115.64 114.94 1dm5 s THR 187 Ca 0.00 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.02 1dm5 s THR 187 Cb 0.00 -1.10 0.24 0.00 0.01 0.00 0.00 72.50 71.65 1dm5 s THR 187 CO 0.00 0.18 0.88 -0.62 -0.69 0.00 0.00 174.62 174.36 1dm5 s ASP 188 N -0.84 6.62 0.37 3.53 3.68 0.80 -4.89 116.67 125.94 1dm5 s ASP 188 Ca 0.04 -3.35 0.06 0.00 2.13 0.00 0.00 52.55 51.43 1dm5 s ASP 188 Cb -0.07 -2.09 0.77 0.00 -1.45 0.00 0.00 42.92 40.08 1dm5 s ASP 188 CO 0.01 -0.33 1.98 -0.08 0.13 0.00 0.00 175.17 176.88 1dm5 h GLU 189 N 6.77 0.69 -0.91 4.34 4.22 -1.98 -2.22 114.58 125.49 1dm5 h GLU 189 Ca 0.14 -0.04 0.20 0.00 0.08 0.00 0.00 59.36 59.74 1dm5 h GLU 189 Cb 0.90 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.93 1dm5 h GLU 189 CO 0.88 0.45 0.60 0.66 -2.18 0.00 0.00 179.01 179.42 1dm5 h SER 190 N 0.71 0.44 0.28 1.04 4.64 -1.97 0.37 113.55 119.06 1dm5 h SER 190 Ca 0.28 0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 61.50 1dm5 h SER 190 Cb 0.20 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1dm5 h SER 190 CO -0.08 0.18 -0.59 -0.09 -0.87 0.00 0.00 176.83 175.38 1dm5 h ARG 191 N 0.44 0.32 -0.65 4.77 9.65 -1.80 0.11 114.38 127.22 1dm5 h ARG 191 Ca 0.48 -0.21 -0.05 0.00 -1.10 0.00 0.00 59.98 59.10 1dm5 h ARG 191 Cb 1.13 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.72 1dm5 h ARG 191 CO -0.19 0.81 0.21 0.74 2.80 0.00 0.00 179.97 184.34 1dm5 h PHE 192 N 0.24 1.04 0.35 2.20 0.04 -0.38 -2.30 116.94 118.12 1dm5 h PHE 192 Ca -0.00 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.65 1dm5 h PHE 192 Cb 1.10 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.95 1dm5 h PHE 192 CO 0.03 0.84 -0.17 -0.97 -0.60 0.00 0.00 178.31 177.44 1dm5 h ASN 193 N 0.93 -0.40 -0.41 2.17 -1.24 -0.69 -1.61 115.58 114.33 1dm5 h ASN 193 Ca 0.21 -0.06 0.09 0.00 0.71 0.00 0.00 56.30 57.25 1dm5 h ASN 193 Cb 0.28 0.10 -0.09 0.00 0.73 0.00 0.00 38.32 39.35 1dm5 h ASN 193 CO -0.01 -0.19 -0.19 0.00 -1.29 0.00 0.00 177.43 175.75 1dm5 h ALA 194 N 0.01 0.12 -0.15 1.57 0.00 -0.74 -1.79 119.26 118.29 1dm5 h ALA 194 Ca -0.05 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1dm5 h ALA 194 Cb 0.44 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1dm5 h ALA 194 CO 0.08 -0.55 -0.42 0.28 0.00 0.00 0.00 179.25 178.64 1dm5 h VAL 195 N -0.11 1.35 0.00 0.00 2.07 -1.37 -2.75 116.25 115.44 1dm5 h VAL 195 Ca 0.20 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1dm5 h VAL 195 Cb 0.42 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1dm5 h VAL 195 CO -0.48 0.52 0.00 -0.07 0.02 0.00 0.00 177.57 177.55 1dm5 h LEU 196 N 0.18 0.00 0.00 2.57 4.07 -1.17 -2.73 115.31 118.22 1dm5 h LEU 196 Ca -0.01 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.82 1dm5 h LEU 196 Cb 1.04 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.76 1dm5 h LEU 196 CO 0.09 0.00 -2.04 0.00 -1.08 0.00 0.00 178.44 175.41 1dm5 n ALA 197 N -1.85 2.32 -0.07 1.53 0.00 -0.68 -4.70 120.51 117.06 1dm5 n ALA 197 Ca 0.03 -0.77 -0.08 0.00 0.00 0.00 0.00 53.44 52.61 1dm5 n ALA 197 Cb 0.29 -0.60 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 1dm5 n ALA 197 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dm5 n THR 198 N -2.48 0.86 -2.15 0.00 -2.24 -1.04 -4.06 114.28 103.18 1dm5 n THR 198 Ca -0.13 -0.44 -0.36 0.00 -2.27 0.00 0.00 64.05 60.84 1dm5 n THR 198 Cb 0.78 -0.84 0.01 0.00 -2.10 0.00 0.00 70.33 68.17 1dm5 n THR 198 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dm5 s ARG 199 N -2.30 3.41 0.71 -0.78 1.81 -1.04 -0.02 118.95 120.73 1dm5 s ARG 199 Ca -0.13 1.80 -0.13 0.00 -1.72 0.00 0.00 55.73 55.55 1dm5 s ARG 199 Cb 0.04 -2.18 0.02 0.00 -0.45 0.00 0.00 34.95 32.39 1dm5 s ARG 199 CO 0.44 -0.85 1.10 -1.54 -0.68 0.00 0.00 175.30 173.77 1dm5 s SER 200 N -1.47 4.85 0.17 0.23 1.04 -1.16 -4.66 113.70 112.69 1dm5 s SER 200 Ca 0.70 1.92 -0.21 0.00 0.48 0.00 0.00 55.95 58.85 1dm5 s SER 200 Cb -0.29 -2.54 0.08 0.00 0.10 0.00 0.00 66.02 63.37 1dm5 s SER 200 CO 0.34 -1.81 1.62 1.88 0.98 0.00 0.00 173.24 176.25 1dm5 h TYR 201 N -0.47 -0.66 -0.97 5.02 -1.99 -1.91 -1.09 116.97 114.89 1dm5 h TYR 201 Ca -0.45 0.05 0.07 0.00 2.00 0.00 0.00 58.73 60.40 1dm5 h TYR 201 Cb 1.24 0.35 -0.07 0.00 2.00 0.00 0.00 36.73 40.25 1dm5 h TYR 201 CO 0.56 -0.33 0.63 -1.35 -0.00 0.00 0.00 178.16 177.67 1dm5 h PRO 202 N -0.19 1.07 0.00 4.88 0.11 -1.92 -0.95 132.00 135.00 1dm5 h PRO 202 Ca 0.18 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.09 1dm5 h PRO 202 Cb 0.48 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1dm5 h PRO 202 CO -0.49 0.71 -0.64 0.37 -0.21 0.00 0.00 178.00 177.74 1dm5 h GLN 203 N 1.10 0.00 -0.07 1.05 5.75 -1.62 -2.59 115.11 118.72 1dm5 h GLN 203 Ca 0.43 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.91 1dm5 h GLN 203 Cb 0.22 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 1dm5 h GLN 203 CO -0.17 0.64 -0.01 -0.07 -2.65 0.00 0.00 178.83 176.57 1dm5 h LEU 204 N 0.00 0.13 -0.67 -2.39 3.38 -0.47 0.16 115.31 115.45 1dm5 h LEU 204 Ca -0.01 -0.34 0.14 0.00 0.09 0.00 0.00 57.88 57.77 1dm5 h LEU 204 Cb 1.19 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.80 1dm5 h LEU 204 CO 0.08 0.44 0.06 -0.74 0.09 0.00 0.00 178.44 178.37 1dm5 h HIS 205 N -0.18 0.07 -0.73 1.13 2.76 -1.21 0.52 115.15 117.50 1dm5 h HIS 205 Ca 0.02 0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1dm5 h HIS 205 Cb 0.37 0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.37 1dm5 h HIS 205 CO 0.04 -0.14 0.48 0.37 -1.30 0.00 0.00 177.93 177.38 1dm5 h GLN 206 N 0.17 0.94 -0.37 5.26 5.75 -1.04 -2.86 115.11 122.95 1dm5 h GLN 206 Ca 0.36 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.71 1dm5 h GLN 206 Cb 0.60 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1dm5 h GLN 206 CO -0.53 0.62 -0.15 0.82 -2.65 0.00 0.00 178.83 176.94 1dm5 h ILE 207 N 0.97 1.28 0.00 2.39 2.04 0.29 -2.20 117.51 122.28 1dm5 h ILE 207 Ca 0.27 -1.26 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 1dm5 h ILE 207 Cb -0.08 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1dm5 h ILE 207 CO -0.06 0.42 -0.15 -0.26 0.00 0.00 0.00 178.15 178.09 1dm5 h PHE 208 N 0.55 0.00 -0.03 1.37 0.05 -0.71 0.16 116.94 118.33 1dm5 h PHE 208 Ca 0.09 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.86 1dm5 h PHE 208 Cb 0.68 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.63 1dm5 h PHE 208 CO 0.06 0.15 -0.05 1.25 -0.18 0.00 0.00 178.31 179.53 1dm5 h HIS 209 N 0.00 0.10 -0.08 -0.55 2.76 -1.31 -2.45 115.15 113.62 1dm5 h HIS 209 Ca -0.00 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 1dm5 h HIS 209 Cb 0.31 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1dm5 h HIS 209 CO 0.00 0.64 0.00 0.93 -1.30 0.00 0.00 177.93 178.20 1dm5 h GLU 210 N -0.46 0.11 -0.07 5.26 4.39 -0.99 -2.36 114.58 120.46 1dm5 h GLU 210 Ca 0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1dm5 h GLU 210 Cb 0.63 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1dm5 h GLU 210 CO 0.01 0.12 0.03 -0.92 -1.16 0.00 0.00 179.01 177.09 1dm5 h TYR 211 N 0.11 0.10 -0.07 4.33 3.20 -0.82 -2.39 116.97 121.43 1dm5 h TYR 211 Ca 0.03 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1dm5 h TYR 211 Cb 0.07 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 1dm5 h TYR 211 CO 0.00 0.20 0.11 0.66 -1.64 0.00 0.00 178.16 177.49 1dm5 h SER 212 N -0.04 0.00 1.01 -2.11 4.64 -0.94 0.64 113.55 116.75 1dm5 h SER 212 Ca 0.02 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 1dm5 h SER 212 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1dm5 h SER 212 CO -0.00 0.00 -0.39 0.11 -0.87 0.00 0.00 176.83 175.68 1dm5 h LYS 213 N 0.00 0.00 -0.01 4.77 1.57 -1.15 -3.31 116.57 118.44 1dm5 h LYS 213 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1dm5 h LYS 213 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1dm5 h LYS 213 CO -0.00 0.39 -0.31 0.44 -0.57 0.00 0.00 179.45 179.40 1dm5 n ILE 214 N -3.44 0.00 -4.24 1.86 -5.35 0.08 -5.02 119.36 103.25 1dm5 n ILE 214 Ca 0.00 -0.34 -0.13 0.00 -0.27 0.00 0.00 62.75 62.01 1dm5 n ILE 214 Cb 0.56 1.12 -0.10 0.00 -1.74 0.00 0.00 39.64 39.47 1dm5 n ILE 214 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1dm5 s SER 215 N -1.67 1.49 0.12 7.28 0.15 -0.41 -5.02 113.70 115.64 1dm5 s SER 215 Ca 0.09 -1.08 0.24 0.00 0.70 0.00 0.00 55.95 55.90 1dm5 s SER 215 Cb 0.10 0.05 0.33 0.00 -1.71 0.00 0.00 66.02 64.79 1dm5 s SER 215 CO 0.34 -0.45 1.31 0.59 1.20 0.00 0.00 173.24 176.23 1dm5 n ASN 216 N -0.20 0.70 -4.94 5.45 5.03 -1.26 -4.67 115.26 115.37 1dm5 n ASN 216 Ca -0.09 0.12 -0.24 0.00 0.87 0.00 0.00 54.58 55.24 1dm5 n ASN 216 Cb 0.62 0.17 -0.02 0.00 -1.02 0.00 0.00 39.78 39.53 1dm5 n ASN 216 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1dm5 s LYS 217 N -3.17 3.49 0.95 3.52 1.02 -1.26 -5.11 119.74 119.18 1dm5 s LYS 217 Ca 0.06 -0.43 -0.16 0.00 0.02 0.00 0.00 55.97 55.46 1dm5 s LYS 217 Cb 0.13 -2.77 0.19 0.00 -0.52 0.00 0.00 37.83 34.86 1dm5 s LYS 217 CO 0.72 0.29 1.30 0.95 -0.92 0.00 0.00 175.35 177.69 1dm5 s THR 218 N -2.10 1.99 0.34 2.17 -4.23 -1.26 -4.61 115.64 107.94 1dm5 s THR 218 Ca 0.38 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.94 1dm5 s THR 218 Cb -0.10 -2.98 0.17 0.00 1.34 0.00 0.00 72.50 70.93 1dm5 s THR 218 CO 0.32 0.00 1.89 -0.29 -0.54 0.00 0.00 174.62 176.00 1dm5 h ILE 219 N -1.61 1.19 -0.67 2.99 6.09 -1.94 -1.71 117.51 121.85 1dm5 h ILE 219 Ca -0.45 -0.74 -0.00 0.00 -1.37 0.00 0.00 64.86 62.30 1dm5 h ILE 219 Cb 1.25 0.91 -0.03 0.00 0.47 0.00 0.00 36.82 39.41 1dm5 h ILE 219 CO 0.41 0.26 0.41 -0.07 -3.07 0.00 0.00 178.15 176.09 1dm5 h LEU 220 N 0.51 0.80 -0.05 2.19 4.07 -1.97 -1.39 115.31 119.47 1dm5 h LEU 220 Ca 0.11 -0.06 -0.12 0.00 0.08 0.00 0.00 57.88 57.89 1dm5 h LEU 220 Cb 0.30 -0.20 0.01 0.00 1.08 0.00 0.00 40.66 41.85 1dm5 h LEU 220 CO 0.01 0.62 -0.45 1.56 -1.08 0.00 0.00 178.44 179.10 1dm5 h GLN 221 N 0.91 0.39 0.28 1.13 4.20 -1.83 -1.50 115.11 118.70 1dm5 h GLN 221 Ca 0.24 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1dm5 h GLN 221 Cb -0.04 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1dm5 h GLN 221 CO -0.05 1.01 -0.22 0.00 -0.67 0.00 0.00 178.83 178.90 1dm5 h ALA 222 N 0.39 -0.50 -0.98 3.87 0.00 -1.24 0.51 119.26 121.32 1dm5 h ALA 222 Ca -0.04 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1dm5 h ALA 222 Cb 1.13 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 19.13 1dm5 h ALA 222 CO 0.09 -0.80 0.60 0.82 0.00 0.00 0.00 179.25 179.97 1dm5 h ILE 223 N -0.51 0.89 -0.61 0.00 2.04 -1.32 1.54 117.51 119.54 1dm5 h ILE 223 Ca -0.02 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1dm5 h ILE 223 Cb 0.45 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1dm5 h ILE 223 CO -0.01 0.17 0.34 -0.33 0.00 0.00 0.00 178.15 178.32 1dm5 h GLU 224 N 0.94 0.85 0.00 2.37 4.39 -0.54 -2.58 114.58 120.01 1dm5 h GLU 224 Ca 0.49 -0.10 -0.17 0.00 0.34 0.00 0.00 59.36 59.92 1dm5 h GLU 224 Cb 0.51 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1dm5 h GLU 224 CO -0.28 0.64 -0.82 -0.97 -1.16 0.00 0.00 179.01 176.42 1dm5 h ASN 225 N 0.83 0.00 0.74 1.42 -1.24 0.27 -3.35 115.58 114.26 1dm5 h ASN 225 Ca 0.21 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.97 1dm5 h ASN 225 Cb 0.04 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.05 1dm5 h ASN 225 CO -0.04 0.82 -1.34 -0.08 -1.29 0.00 0.00 177.43 175.51 1dm5 h GLU 226 N 0.00 0.02 -5.10 6.67 4.57 0.22 -3.49 114.58 117.47 1dm5 h GLU 226 Ca -0.01 -0.04 -0.68 0.00 -1.18 0.00 0.00 59.36 57.46 1dm5 h GLU 226 Cb 1.53 0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 30.00 1dm5 h GLU 226 CO 0.11 0.80 -0.50 -0.06 -1.18 0.00 0.00 179.01 178.18 1dm5 s PHE 227 N -2.66 1.75 0.07 0.92 0.08 -0.99 -5.04 117.98 112.12 1dm5 s PHE 227 Ca -0.02 -1.05 0.00 0.00 0.12 0.00 0.00 56.93 55.98 1dm5 s PHE 227 Cb 0.09 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 1dm5 s PHE 227 CO 0.82 0.12 -0.05 -1.54 -0.10 0.00 0.00 175.22 174.48 1dm5 s SER 228 N -3.87 0.74 0.73 1.36 1.04 -1.26 -4.86 113.70 107.58 1dm5 s SER 228 Ca 0.03 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1dm5 s SER 228 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1dm5 s SER 228 CO 0.02 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1dm5 n GLY 229 N 0.21 0.96 0.32 7.32 0.00 -1.26 -3.19 105.19 109.54 1dm5 n GLY 229 Ca -0.14 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.32 1dm5 n GLY 229 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dm5 h ASP 230 N 5.28 -0.52 -0.60 1.61 3.45 -2.00 0.53 116.42 124.17 1dm5 h ASP 230 Ca 0.00 0.25 -0.05 0.00 0.43 0.00 0.00 57.03 57.66 1dm5 h ASP 230 Cb 0.00 0.45 -0.03 0.00 -0.56 0.00 0.00 39.33 39.20 1dm5 h ASP 230 CO 0.00 -0.28 0.21 -0.29 -1.57 0.00 0.00 179.24 177.31 1dm5 h ILE 231 N 0.04 1.24 0.18 0.35 6.09 -1.93 0.20 117.51 123.67 1dm5 h ILE 231 Ca 0.50 -0.81 -0.01 0.00 -1.37 0.00 0.00 64.86 63.17 1dm5 h ILE 231 Cb 0.92 0.53 0.00 0.00 0.47 0.00 0.00 36.82 38.74 1dm5 h ILE 231 CO -0.84 0.31 -0.09 0.50 -3.07 0.00 0.00 178.15 174.97 1dm5 h LYS 232 N 0.94 -0.23 -0.87 2.19 3.64 0.04 -2.62 116.57 119.66 1dm5 h LYS 232 Ca 0.21 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1dm5 h LYS 232 Cb 0.26 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 1dm5 h LYS 232 CO -0.01 -0.12 0.56 -0.91 -2.27 0.00 0.00 179.45 176.70 1dm5 h ASN 233 N -0.28 0.92 -0.16 4.20 -0.26 -0.36 -1.07 115.58 118.58 1dm5 h ASN 233 Ca -0.02 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.69 1dm5 h ASN 233 Cb 0.21 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1dm5 h ASN 233 CO 0.04 0.63 0.03 1.23 -1.06 0.00 0.00 177.43 178.30 1dm5 h GLY 234 N 1.08 0.28 1.03 2.83 0.00 -0.54 0.38 103.07 108.13 1dm5 h GLY 234 Ca 0.35 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 1dm5 h GLY 234 CO -0.12 0.17 0.29 1.41 0.00 0.00 0.00 176.54 178.29 1dm5 h LEU 235 N 0.05 0.98 -0.44 3.11 3.38 -1.21 -2.34 115.31 118.84 1dm5 h LEU 235 Ca 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1dm5 h LEU 235 Cb 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1dm5 h LEU 235 CO 0.00 0.88 0.23 -0.07 0.09 0.00 0.00 178.44 179.58 1dm5 h LEU 236 N 1.02 0.56 -1.58 1.67 3.38 -1.09 -1.82 115.31 117.45 1dm5 h LEU 236 Ca 0.24 -0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.27 1dm5 h LEU 236 Cb 0.20 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1dm5 h LEU 236 CO -0.02 0.50 0.53 0.00 0.09 0.00 0.00 178.44 179.55 1dm5 h ALA 237 N 1.08 2.17 -0.08 1.53 0.00 -0.54 0.15 119.26 123.57 1dm5 h ALA 237 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1dm5 h ALA 237 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1dm5 h ALA 237 CO -0.02 -0.40 -0.15 0.82 0.00 0.00 0.00 179.25 179.50 1dm5 h ILE 238 N 0.39 1.40 -0.78 0.00 2.04 -0.89 -0.94 117.51 118.74 1dm5 h ILE 238 Ca 0.40 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 1dm5 h ILE 238 Cb 0.97 2.15 -0.04 0.00 -0.74 0.00 0.00 36.82 39.16 1dm5 h ILE 238 CO -0.13 0.41 0.45 0.58 0.00 0.00 0.00 178.15 179.46 1dm5 h VAL 239 N -0.21 1.22 -0.29 1.67 2.07 -0.20 -1.87 116.25 118.63 1dm5 h VAL 239 Ca 0.00 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1dm5 h VAL 239 Cb 0.73 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1dm5 h VAL 239 CO 0.03 0.24 0.06 0.11 0.02 0.00 0.00 177.57 178.03 1dm5 h LYS 240 N 1.06 0.47 -0.60 1.57 1.57 -0.80 -2.11 116.57 117.74 1dm5 h LYS 240 Ca 0.28 -0.12 0.09 0.00 -1.87 0.00 0.00 60.65 59.03 1dm5 h LYS 240 Cb -0.02 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1dm5 h LYS 240 CO -0.05 0.56 0.40 0.77 -0.57 0.00 0.00 179.45 180.56 1dm5 h SER 241 N 0.30 0.40 -0.05 0.86 0.02 -0.95 0.58 113.55 114.72 1dm5 h SER 241 Ca 0.09 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1dm5 h SER 241 Cb 0.31 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1dm5 h SER 241 CO 0.00 0.24 -0.05 0.58 -1.14 0.00 0.00 176.83 176.47 1dm5 h VAL 242 N 0.44 1.38 -0.17 2.27 2.07 -0.91 -2.95 116.25 118.39 1dm5 h VAL 242 Ca 0.27 -1.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.46 1dm5 h VAL 242 Cb 0.48 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1dm5 h VAL 242 CO -0.08 0.33 -0.31 -0.33 0.02 0.00 0.00 177.57 177.21 1dm5 h GLU 243 N -0.35 0.51 -0.93 1.57 4.39 -1.05 -3.44 114.58 115.29 1dm5 h GLU 243 Ca 0.01 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.40 1dm5 h GLU 243 Cb 0.56 0.04 -0.20 0.00 -0.10 0.00 0.00 28.75 29.04 1dm5 h GLU 243 CO 0.01 0.93 -0.37 1.21 -1.16 0.00 0.00 179.01 179.62 1dm5 s ASN 244 N -6.44 -1.49 0.26 1.42 3.84 0.17 -5.02 114.94 107.68 1dm5 s ASN 244 Ca -0.13 -0.17 -0.02 0.00 0.21 0.00 0.00 52.86 52.76 1dm5 s ASN 244 Cb 0.06 1.91 0.47 0.00 -0.55 0.00 0.00 41.25 43.14 1dm5 s ASN 244 CO 0.80 -0.23 1.82 -0.09 -2.79 0.00 0.00 177.10 176.61 1dm5 h ARG 245 N 7.52 0.87 -0.66 0.43 2.43 -1.61 -0.92 114.38 122.44 1dm5 h ARG 245 Ca 0.00 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1dm5 h ARG 245 Cb 1.19 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.49 1dm5 h ARG 245 CO 0.11 0.58 0.37 0.74 -1.51 0.00 0.00 179.97 180.26 1dm5 h PHE 246 N 0.90 0.69 0.17 2.20 0.04 -1.91 -0.36 116.94 118.67 1dm5 h PHE 246 Ca 0.44 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.23 1dm5 h PHE 246 Cb 0.41 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1dm5 h PHE 246 CO -0.03 0.34 -0.08 0.00 -0.60 0.00 0.00 178.31 177.93 1dm5 h ALA 247 N 1.34 -0.23 0.03 2.45 0.00 -1.57 0.98 119.26 122.26 1dm5 h ALA 247 Ca 0.29 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1dm5 h ALA 247 Cb 0.17 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1dm5 h ALA 247 CO -0.17 -0.62 -0.41 -0.92 0.00 0.00 0.00 179.25 177.13 1dm5 h TYR 248 N -0.25 -1.16 -0.89 0.00 5.03 -0.74 0.63 116.97 119.59 1dm5 h TYR 248 Ca -0.02 0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.37 1dm5 h TYR 248 Cb 0.19 0.51 -0.06 0.00 1.55 0.00 0.00 36.73 38.92 1dm5 h TYR 248 CO -0.06 -0.49 0.56 0.74 -1.32 0.00 0.00 178.16 177.59 1dm5 h PHE 249 N -0.59 1.05 -0.89 -3.82 0.04 -1.01 -1.55 116.94 110.17 1dm5 h PHE 249 Ca 0.04 0.03 0.11 0.00 2.80 0.00 0.00 57.97 60.95 1dm5 h PHE 249 Cb 0.65 -0.34 -0.08 0.00 2.20 0.00 0.00 35.95 38.38 1dm5 h PHE 249 CO -0.40 0.56 0.52 0.00 -0.60 0.00 0.00 178.31 178.39 1dm5 h ALA 250 N 1.40 1.32 0.37 2.45 0.00 0.42 -1.58 119.26 123.63 1dm5 h ALA 250 Ca 0.37 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1dm5 h ALA 250 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1dm5 h ALA 250 CO -0.15 0.11 -0.18 0.93 0.00 0.00 0.00 179.25 179.96 1dm5 h GLU 251 N 0.83 -0.48 -0.38 0.00 5.08 0.08 -1.99 114.58 117.72 1dm5 h GLU 251 Ca 0.45 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.89 1dm5 h GLU 251 Cb 0.46 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1dm5 h GLU 251 CO -0.28 -0.19 0.26 0.00 -1.00 0.00 0.00 179.01 177.80 1dm5 h ARG 252 N -0.73 0.30 0.35 2.33 2.47 -1.17 0.17 114.38 118.11 1dm5 h ARG 252 Ca -0.05 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 1dm5 h ARG 252 Cb 0.50 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1dm5 h ARG 252 CO 0.08 0.20 -0.17 -0.07 0.56 0.00 0.00 179.97 180.57 1dm5 h LEU 253 N 0.31 -0.40 -0.02 3.04 3.38 -1.09 0.17 115.31 120.70 1dm5 h LEU 253 Ca 0.16 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1dm5 h LEU 253 Cb 0.26 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1dm5 h LEU 253 CO -0.04 -0.22 -0.31 -0.74 0.09 0.00 0.00 178.44 177.22 1dm5 h HIS 254 N -0.55 -0.85 -0.73 1.13 2.76 -0.36 -0.84 115.15 115.71 1dm5 h HIS 254 Ca -0.05 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.25 1dm5 h HIS 254 Cb 0.41 0.38 -0.07 0.00 1.55 0.00 0.00 27.41 29.67 1dm5 h HIS 254 CO -0.03 -0.40 0.37 1.25 -1.30 0.00 0.00 177.93 177.81 1dm5 h HIS 255 N -0.45 0.66 -0.67 5.26 -0.00 -0.67 0.47 115.15 119.75 1dm5 h HIS 255 Ca 0.07 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.51 1dm5 h HIS 255 Cb 0.54 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 27.72 1dm5 h HIS 255 CO -0.35 0.23 0.40 0.00 -0.00 0.00 0.00 177.93 178.21 1dm5 h ALA 256 N 1.44 0.90 -0.01 5.26 0.00 0.26 -0.51 119.26 126.60 1dm5 h ALA 256 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1dm5 h ALA 256 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1dm5 h ALA 256 CO -0.28 0.11 -0.12 -1.33 0.00 0.00 0.00 179.25 177.63 1dm5 n MET 257 N -4.74 0.98 -1.93 0.00 2.81 -0.41 0.83 117.12 114.66 1dm5 n MET 257 Ca 0.08 -0.45 -0.31 0.00 -1.81 0.00 0.00 57.70 55.20 1dm5 n MET 257 Cb 0.14 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.16 1dm5 n MET 257 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1dm5 s LYS 258 N -2.34 3.61 0.00 0.03 2.47 0.16 -4.81 119.74 118.86 1dm5 s LYS 258 Ca 0.31 0.80 0.00 0.00 -1.56 0.00 0.00 55.97 55.52 1dm5 s LYS 258 Cb 0.20 -2.08 0.00 0.00 -1.46 0.00 0.00 37.83 34.49 1dm5 s LYS 258 CO 0.45 -0.56 0.00 0.41 0.16 0.00 0.00 175.35 175.81 1dm5 n GLY 259 N -2.50 -0.55 1.48 5.54 0.00 -1.26 -4.52 105.19 103.38 1dm5 n GLY 259 Ca 0.06 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1dm5 n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dm5 n LEU 260 N -1.16 4.00 -3.65 0.99 7.99 -1.26 -4.64 117.00 119.27 1dm5 n LEU 260 Ca 0.00 -1.83 -0.02 0.00 -0.01 0.00 0.00 56.01 54.16 1dm5 n LEU 260 Cb 0.00 -0.82 -0.03 0.00 -0.11 0.00 0.00 43.42 42.45 1dm5 n LEU 260 CO 0.00 0.74 1.19 -0.83 -1.51 0.00 0.00 177.39 176.98 1dm5 s GLY 261 N 1.81 -0.02 -0.09 -0.72 0.00 -1.26 -5.19 107.32 101.84 1dm5 s GLY 261 Ca 0.00 2.46 0.02 0.00 0.00 0.00 0.00 44.72 47.20 1dm5 s GLY 261 CO 0.00 0.90 -0.14 -1.59 0.00 0.00 0.00 173.10 172.27 1dm5 s THR 262 N -1.47 3.01 -1.09 0.90 2.01 -1.26 -4.52 115.64 113.22 1dm5 s THR 262 Ca 0.11 -0.71 -0.23 0.00 0.31 0.00 0.00 61.69 61.17 1dm5 s THR 262 Cb -0.01 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1dm5 s THR 262 CO -0.06 0.56 1.87 -0.55 -0.69 0.00 0.00 174.62 175.74 1dm5 s SER 263 N -0.13 5.44 0.28 3.53 0.15 0.24 -4.73 113.70 118.48 1dm5 s SER 263 Ca -0.01 -1.41 -0.00 0.00 0.70 0.00 0.00 55.95 55.22 1dm5 s SER 263 Cb -0.14 -2.58 0.39 0.00 -1.71 0.00 0.00 66.02 61.99 1dm5 s SER 263 CO 0.03 -2.58 1.77 0.44 1.20 0.00 0.00 173.24 174.11 1dm5 h ASP 264 N 9.99 0.67 0.16 5.45 3.32 -1.96 -1.88 116.42 132.17 1dm5 h ASP 264 Ca 0.20 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1dm5 h ASP 264 Cb 0.96 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.30 1dm5 h ASP 264 CO 1.27 0.77 -0.33 0.11 -1.72 0.00 0.00 179.24 179.34 1dm5 h LYS 265 N 0.65 -0.56 -0.56 3.56 1.57 -1.99 -1.61 116.57 117.63 1dm5 h LYS 265 Ca 0.12 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1dm5 h LYS 265 Cb 0.47 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1dm5 h LYS 265 CO 0.02 -0.37 0.34 1.15 -0.57 0.00 0.00 179.45 180.02 1dm5 h THR 266 N -0.58 1.15 0.30 -0.16 2.02 -1.91 -2.46 112.91 111.28 1dm5 h THR 266 Ca 0.02 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1dm5 h THR 266 Cb 0.59 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1dm5 h THR 266 CO -0.16 0.16 -0.15 0.25 0.37 0.00 0.00 175.52 175.99 1dm5 h LEU 267 N 0.76 -0.34 -1.06 2.58 5.85 -0.79 -2.47 115.31 119.84 1dm5 h LEU 267 Ca 0.20 -0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.86 1dm5 h LEU 267 Cb -0.05 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 1dm5 h LEU 267 CO -0.04 0.02 0.62 0.40 -0.34 0.00 0.00 178.44 179.10 1dm5 h ILE 268 N -0.75 0.95 -0.32 4.05 2.04 -1.31 -1.08 117.51 121.08 1dm5 h ILE 268 Ca -0.04 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1dm5 h ILE 268 Cb 0.50 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1dm5 h ILE 268 CO 0.07 0.18 0.09 -0.09 0.00 0.00 0.00 178.15 178.40 1dm5 h ARG 269 N 0.99 0.51 0.02 2.37 2.43 -1.30 -0.02 114.38 119.38 1dm5 h ARG 269 Ca 0.47 -0.12 -0.24 0.00 -0.81 0.00 0.00 59.98 59.28 1dm5 h ARG 269 Cb 0.45 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1dm5 h ARG 269 CO -0.23 0.57 -0.95 0.82 -1.51 0.00 0.00 179.97 178.67 1dm5 h ILE 270 N 0.37 1.33 -0.07 1.20 2.04 -1.26 -1.60 117.51 119.52 1dm5 h ILE 270 Ca 0.10 -2.24 -0.00 0.00 1.00 0.00 0.00 64.86 63.72 1dm5 h ILE 270 Cb 0.28 2.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1dm5 h ILE 270 CO -0.00 0.68 0.04 -0.07 0.00 0.00 0.00 178.15 178.80 1dm5 h LEU 271 N 0.22 0.08 -0.05 1.44 3.38 -1.13 -2.12 115.31 117.12 1dm5 h LEU 271 Ca -0.12 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1dm5 h LEU 271 Cb 1.62 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 1dm5 h LEU 271 CO 0.19 0.12 -0.04 0.58 0.09 0.00 0.00 178.44 179.38 1dm5 h VAL 272 N 0.04 1.35 0.00 1.22 2.07 -1.08 -2.47 116.25 117.38 1dm5 h VAL 272 Ca 0.02 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1dm5 h VAL 272 Cb 0.06 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1dm5 h VAL 272 CO -0.00 0.30 0.00 0.77 0.02 0.00 0.00 177.57 178.66 1dm5 h SER 273 N -0.29 0.00 -0.01 0.57 4.64 -1.28 -2.88 113.55 114.30 1dm5 h SER 273 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1dm5 h SER 273 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1dm5 h SER 273 CO 0.01 0.00 -0.43 0.54 -0.87 0.00 0.00 176.83 176.08 1dm5 n ARG 274 N -2.66 1.91 -0.24 4.77 5.12 -0.80 -4.65 116.66 120.11 1dm5 n ARG 274 Ca 0.03 -0.52 0.30 0.00 -1.93 0.00 0.00 57.85 55.72 1dm5 n ARG 274 Cb 0.34 -1.22 0.72 0.00 -1.16 0.00 0.00 32.46 31.13 1dm5 n ARG 274 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1dm5 h SER 275 N 1.14 0.04 -0.05 0.55 4.64 -1.21 0.64 113.55 119.30 1dm5 h SER 275 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1dm5 h SER 275 Cb 0.46 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1dm5 h SER 275 CO 0.00 0.01 -0.10 -0.62 -0.87 0.00 0.00 176.83 175.25 1dm5 n GLU 276 N -4.26 1.55 0.04 4.77 1.02 -1.26 -1.61 120.64 120.88 1dm5 n GLU 276 Ca 0.21 -2.78 0.00 0.00 -0.02 0.00 0.00 57.16 54.57 1dm5 n GLU 276 Cb 1.04 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1dm5 n GLU 276 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1dm5 n ILE 277 N -1.26 0.70 -2.20 -3.67 5.41 0.17 -4.43 119.36 114.09 1dm5 n ILE 277 Ca 0.18 0.23 -0.01 0.00 1.00 0.00 0.00 62.75 64.16 1dm5 n ILE 277 Cb 0.70 -1.26 -0.01 0.00 -0.71 0.00 0.00 39.64 38.35 1dm5 n ILE 277 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1dm5 n ASP 278 N -3.13 0.09 0.22 4.38 5.68 -0.93 -2.52 116.55 120.33 1dm5 n ASP 278 Ca 0.00 -1.87 0.09 0.00 -0.50 0.00 0.00 54.79 52.51 1dm5 n ASP 278 Cb 0.00 -0.06 0.44 0.00 -1.14 0.00 0.00 41.12 40.36 1dm5 n ASP 278 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1dm5 h LEU 279 N 0.39 0.00 0.21 -2.12 5.85 -1.29 -1.11 115.31 117.25 1dm5 h LEU 279 Ca -0.27 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1dm5 h LEU 279 Cb 1.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.58 1dm5 h LEU 279 CO -0.05 0.24 -0.10 0.00 -0.34 0.00 0.00 178.44 178.19 1dm5 h ALA 280 N 1.76 -0.28 -0.68 1.25 0.00 -1.38 -0.06 119.26 119.86 1dm5 h ALA 280 Ca -0.00 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.86 1dm5 h ALA 280 Cb 0.77 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1dm5 h ALA 280 CO 0.03 -0.55 0.33 -0.91 0.00 0.00 0.00 179.25 178.15 1dm5 h ASN 281 N -0.50 0.42 -1.01 0.00 4.21 -1.58 0.22 115.58 117.34 1dm5 h ASN 281 Ca -0.03 0.06 0.03 0.00 1.21 0.00 0.00 56.30 57.57 1dm5 h ASN 281 Cb 0.38 -0.01 -0.06 0.00 -1.12 0.00 0.00 38.32 37.52 1dm5 h ASN 281 CO 0.05 0.24 0.66 0.40 -1.29 0.00 0.00 177.43 177.49 1dm5 h ILE 282 N 0.56 1.21 -0.16 2.81 2.04 -1.10 0.12 117.51 122.99 1dm5 h ILE 282 Ca 0.34 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1dm5 h ILE 282 Cb 0.36 -0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1dm5 h ILE 282 CO -0.27 0.24 0.08 0.11 0.00 0.00 0.00 178.15 178.31 1dm5 h LYS 283 N 1.31 0.17 -0.89 2.37 1.57 0.13 0.72 116.57 121.96 1dm5 h LYS 283 Ca 0.39 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.18 1dm5 h LYS 283 Cb -0.06 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 1dm5 h LYS 283 CO -0.11 0.12 0.59 0.93 -0.57 0.00 0.00 179.45 180.40 1dm5 h GLU 284 N 0.18 1.13 0.01 3.15 5.08 0.03 -2.89 114.58 121.28 1dm5 h GLU 284 Ca 0.06 -0.07 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1dm5 h GLU 284 Cb 0.00 -0.26 0.02 0.00 0.50 0.00 0.00 28.75 29.02 1dm5 h GLU 284 CO -0.04 0.75 -1.05 1.15 -1.00 0.00 0.00 179.01 178.82 1dm5 h THR 285 N 1.17 1.29 0.33 1.13 2.02 -0.36 -3.19 112.91 115.30 1dm5 h THR 285 Ca 0.34 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 65.22 1dm5 h THR 285 Cb -0.08 2.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 1dm5 h THR 285 CO -0.08 0.71 -0.39 0.15 0.37 0.00 0.00 175.52 176.28 1dm5 h PHE 286 N 0.37 -1.05 -1.01 3.16 3.04 -0.69 -0.86 116.94 119.90 1dm5 h PHE 286 Ca -0.13 0.01 0.24 0.00 3.98 0.00 0.00 57.97 62.07 1dm5 h PHE 286 Cb 1.71 0.42 -0.11 0.00 2.56 0.00 0.00 35.95 40.52 1dm5 h PHE 286 CO 0.10 -0.53 0.62 0.37 -2.02 0.00 0.00 178.31 176.85 1dm5 h GLN 287 N -0.76 0.54 0.01 1.11 5.75 -1.62 0.38 115.11 120.53 1dm5 h GLN 287 Ca -0.02 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1dm5 h GLN 287 Cb 0.70 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1dm5 h GLN 287 CO -0.10 0.36 -0.01 0.00 -2.65 0.00 0.00 178.83 176.44 1dm5 h ALA 288 N 1.69 -0.02 0.00 3.38 0.00 -1.23 1.45 119.26 124.53 1dm5 h ALA 288 Ca 0.62 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.43 1dm5 h ALA 288 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1dm5 h ALA 288 CO -0.42 -0.47 -0.28 0.52 0.00 0.00 0.00 179.25 178.61 1dm5 h MET 289 N -0.10 0.00 0.00 0.00 2.86 0.69 -3.36 114.93 115.02 1dm5 h MET 289 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1dm5 h MET 289 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1dm5 h MET 289 CO 0.00 0.28 0.00 0.66 1.06 0.00 0.00 176.91 178.91 1dm5 n TYR 290 N -3.31 0.00 0.00 -0.22 4.01 0.10 -5.02 117.16 112.71 1dm5 n TYR 290 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1dm5 n TYR 290 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1dm5 n TYR 290 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dm5 n GLY 291 N 0.36 0.83 3.79 2.72 0.00 0.50 -4.92 105.19 108.46 1dm5 n GLY 291 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1dm5 n GLY 291 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dm5 s LYS 292 N 0.00 4.21 0.42 1.61 2.20 -1.26 -4.88 119.74 122.05 1dm5 s LYS 292 Ca 0.00 1.36 -0.16 0.00 -0.36 0.00 0.00 55.97 56.82 1dm5 s LYS 292 Cb 0.00 -2.45 -0.08 0.00 -1.51 0.00 0.00 37.83 33.79 1dm5 s LYS 292 CO 0.00 -0.07 0.87 -1.54 -0.36 0.00 0.00 175.35 174.24 1dm5 s SER 293 N -1.78 6.71 0.20 1.43 1.04 -1.26 -3.86 113.70 116.18 1dm5 s SER 293 Ca 0.59 1.43 -0.11 0.00 0.48 0.00 0.00 55.95 58.34 1dm5 s SER 293 Cb -0.18 -2.44 0.21 0.00 0.10 0.00 0.00 66.02 63.72 1dm5 s SER 293 CO 0.22 -0.40 1.79 0.25 0.98 0.00 0.00 173.24 176.08 1dm5 h LEU 294 N 1.53 0.44 -0.25 2.42 5.85 -1.89 -1.91 115.31 121.50 1dm5 h LEU 294 Ca -0.48 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.34 1dm5 h LEU 294 Cb 1.18 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 1dm5 h LEU 294 CO 0.63 0.29 -0.18 0.22 -0.34 0.00 0.00 178.44 179.06 1dm5 h TYR 295 N 0.58 -0.46 -0.85 1.25 3.20 -1.83 -0.85 116.97 118.02 1dm5 h TYR 295 Ca 0.28 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.22 1dm5 h TYR 295 Cb 0.20 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1dm5 h TYR 295 CO -0.10 -0.25 0.54 0.93 -1.64 0.00 0.00 178.16 177.64 1dm5 h GLU 296 N -0.17 0.99 -0.94 1.82 5.08 -1.74 0.47 114.58 120.09 1dm5 h GLU 296 Ca 0.14 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1dm5 h GLU 296 Cb 0.38 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1dm5 h GLU 296 CO -0.36 0.66 0.61 0.74 -1.00 0.00 0.00 179.01 179.66 1dm5 h PHE 297 N 1.02 1.13 -0.11 4.33 0.04 -0.67 0.17 116.94 122.86 1dm5 h PHE 297 Ca 0.35 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 61.02 1dm5 h PHE 297 Cb 0.07 -0.37 0.01 0.00 2.20 0.00 0.00 35.95 37.85 1dm5 h PHE 297 CO -0.03 0.61 -0.44 0.82 -0.60 0.00 0.00 178.31 178.68 1dm5 h ILE 298 N 1.14 1.37 -0.44 -0.55 2.04 -0.03 -1.81 117.51 119.24 1dm5 h ILE 298 Ca 0.39 -1.77 0.11 0.00 1.00 0.00 0.00 64.86 64.59 1dm5 h ILE 298 Cb 0.09 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1dm5 h ILE 298 CO -0.15 0.53 0.31 0.00 0.00 0.00 0.00 178.15 178.83 1dm5 h ALA 299 N 0.48 2.28 0.00 1.87 0.00 0.51 -1.03 119.26 123.37 1dm5 h ALA 299 Ca -0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1dm5 h ALA 299 Cb 1.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1dm5 h ALA 299 CO 0.09 -0.39 -1.09 -0.44 0.00 0.00 0.00 179.25 177.42 1dm5 h ASP 300 N 0.10 0.00 0.00 0.00 3.32 -0.57 -3.39 116.42 115.88 1dm5 h ASP 300 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1dm5 h ASP 300 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1dm5 h ASP 300 CO -0.02 0.75 -1.33 -0.67 -1.72 0.00 0.00 179.24 176.25 1dm5 n ASP 301 N -3.14 0.70 -4.52 6.45 2.03 -0.47 -4.98 116.55 112.61 1dm5 n ASP 301 Ca -0.05 -0.57 -0.28 0.00 0.52 0.00 0.00 54.79 54.41 1dm5 n ASP 301 Cb 0.88 1.38 -0.09 0.00 -0.72 0.00 0.00 41.12 42.56 1dm5 n ASP 301 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dm5 s SER 303 N -3.69 1.17 0.79 0.00 1.04 -1.26 -4.73 113.70 107.02 1dm5 s SER 303 Ca 0.24 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1dm5 s SER 303 Cb 0.05 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1dm5 s SER 303 CO 0.12 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1dm5 n GLY 304 N -0.50 0.60 0.37 7.32 0.00 -1.26 -2.34 105.19 109.37 1dm5 n GLY 304 Ca 0.04 -0.81 0.09 0.00 0.00 0.00 0.00 46.02 45.34 1dm5 n GLY 304 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dm5 h ASP 305 N 4.62 0.72 0.28 1.61 5.19 -1.99 -2.22 116.42 124.63 1dm5 h ASP 305 Ca 0.00 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1dm5 h ASP 305 Cb 0.00 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.36 1dm5 h ASP 305 CO 0.00 0.41 -0.42 0.22 -3.12 0.00 0.00 179.24 176.33 1dm5 h TYR 306 N 0.79 -1.18 -0.50 4.55 3.20 -1.92 0.29 116.97 122.20 1dm5 h TYR 306 Ca 0.41 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.40 1dm5 h TYR 306 Cb 0.50 0.48 -0.10 0.00 1.54 0.00 0.00 36.73 39.15 1dm5 h TYR 306 CO -0.00 -0.52 -0.27 -0.22 -1.64 0.00 0.00 178.16 175.51 1dm5 h LYS 307 N -0.73 -0.15 -0.95 1.82 3.64 -1.03 -0.78 116.57 118.39 1dm5 h LYS 307 Ca -0.03 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1dm5 h LYS 307 Cb 0.67 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.46 1dm5 h LYS 307 CO -0.13 -0.10 0.60 0.22 -2.27 0.00 0.00 179.45 177.78 1dm5 h ASP 308 N -0.15 0.96 0.31 4.20 3.58 -1.09 0.32 116.42 124.55 1dm5 h ASP 308 Ca 0.22 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 1dm5 h ASP 308 Cb 0.51 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1dm5 h ASP 308 CO -0.59 0.61 -0.15 0.25 -2.88 0.00 0.00 179.24 176.48 1dm5 h LEU 309 N 1.09 -0.35 -0.83 2.28 5.85 0.90 -1.51 115.31 122.74 1dm5 h LEU 309 Ca 0.41 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 59.12 1dm5 h LEU 309 Cb 0.18 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 1dm5 h LEU 309 CO -0.18 -0.11 0.48 -0.07 -0.34 0.00 0.00 178.44 178.22 1dm5 h LEU 310 N -0.60 0.70 -0.17 2.25 4.07 -0.60 -1.44 115.31 119.51 1dm5 h LEU 310 Ca -0.04 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1dm5 h LEU 310 Cb 0.43 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1dm5 h LEU 310 CO 0.07 0.41 0.11 -0.07 -1.08 0.00 0.00 178.44 177.88 1dm5 h LEU 311 N 0.82 0.20 -1.04 1.67 3.38 -0.23 -0.50 115.31 119.61 1dm5 h LEU 311 Ca 0.39 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 1dm5 h LEU 311 Cb 0.33 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1dm5 h LEU 311 CO -0.23 0.15 0.19 1.56 0.09 0.00 0.00 178.44 180.20 1dm5 h GLN 312 N 0.23 0.88 -0.23 1.13 4.20 -0.71 0.11 115.11 120.73 1dm5 h GLN 312 Ca 0.06 -0.16 -0.14 0.00 0.06 0.00 0.00 58.65 58.48 1dm5 h GLN 312 Cb -0.02 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1dm5 h GLN 312 CO -0.01 0.75 -0.42 0.82 -0.67 0.00 0.00 178.83 179.30 1dm5 h ILE 313 N 0.86 1.30 0.09 2.54 2.04 -0.88 -3.29 117.51 120.18 1dm5 h ILE 313 Ca 0.20 -1.60 -0.24 0.00 1.00 0.00 0.00 64.86 64.22 1dm5 h ILE 313 Cb 0.23 1.59 0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1dm5 h ILE 313 CO -0.01 0.50 -0.98 0.74 0.00 0.00 0.00 178.15 178.40 1dm5 h THR 314 N 0.45 1.37 0.00 -0.27 2.02 -0.55 -3.41 112.91 112.53 1dm5 h THR 314 Ca 0.04 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1dm5 h THR 314 Cb 0.93 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 70.11 1dm5 h THR 314 CO 0.08 0.70 0.00 0.61 0.37 0.00 0.00 175.52 177.28 1dm5 n GLY 315 N 1.36 -2.08 0.00 2.16 0.00 -0.02 -4.84 105.19 101.77 1dm5 n GLY 315 Ca -0.13 -1.50 0.08 0.00 0.00 0.00 0.00 46.02 44.47 1dm5 n GLY 315 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74