#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ml6 s LYS 3 N 0.00 4.69 0.60 1.61 1.02 -1.26 -4.97 119.74 121.42 1ml6 s LYS 3 Ca 0.00 1.30 -0.18 0.00 0.02 0.00 0.00 55.97 57.10 1ml6 s LYS 3 Cb 0.00 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 1ml6 s LYS 3 CO 0.00 0.54 1.19 -2.14 -0.92 0.00 0.00 175.35 174.01 1ml6 s PRO 4 N -1.11 2.97 -0.17 -1.68 0.02 -1.26 -4.75 135.00 129.03 1ml6 s PRO 4 Ca 0.38 1.76 -0.01 0.00 0.02 0.00 0.00 61.00 63.15 1ml6 s PRO 4 Cb -0.24 -1.94 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 1ml6 s PRO 4 CO 0.29 -1.19 -0.11 0.08 -0.33 0.00 0.00 177.00 175.73 1ml6 s VAL 5 N -1.70 2.96 -0.26 3.83 1.01 -0.61 -1.41 120.40 124.22 1ml6 s VAL 5 Ca 0.76 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1ml6 s VAL 5 Cb -0.29 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1ml6 s VAL 5 CO 0.33 0.49 0.17 -0.76 0.00 0.00 0.00 175.10 175.33 1ml6 s LEU 6 N 0.96 4.05 -0.30 3.92 1.43 0.32 -0.94 118.68 128.12 1ml6 s LEU 6 Ca -0.02 0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.05 1ml6 s LEU 6 Cb -0.15 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.97 1ml6 s LEU 6 CO -0.01 0.01 0.11 -1.00 0.23 0.00 0.00 176.35 175.69 1ml6 s HIS 7 N 1.37 3.16 0.30 0.29 3.76 -0.05 -1.20 115.29 122.93 1ml6 s HIS 7 Ca 0.07 -0.86 -0.18 0.00 -0.15 0.00 0.00 55.06 53.94 1ml6 s HIS 7 Cb -0.15 -2.29 0.07 0.00 1.11 0.00 0.00 32.58 31.32 1ml6 s HIS 7 CO 0.07 -0.54 0.90 -0.47 -0.85 0.00 0.00 174.74 173.85 1ml6 s TYR 8 N 1.54 0.11 0.82 1.40 5.04 -1.23 -2.54 117.35 122.49 1ml6 s TYR 8 Ca 0.03 -0.68 -0.12 0.00 -2.44 0.00 0.00 57.07 53.87 1ml6 s TYR 8 Cb -0.17 0.79 0.09 0.00 0.35 0.00 0.00 41.96 43.01 1ml6 s TYR 8 CO 0.04 -1.30 1.12 -0.06 -1.34 0.00 0.00 175.55 174.01 1ml6 s PHE 9 N -2.17 2.82 -1.30 4.97 0.08 -1.26 -0.83 117.98 120.28 1ml6 s PHE 9 Ca 0.19 0.98 -0.14 0.00 0.12 0.00 0.00 56.93 58.08 1ml6 s PHE 9 Cb -0.04 -3.26 0.12 0.00 -0.57 0.00 0.00 43.02 39.27 1ml6 s PHE 9 CO 0.09 -1.88 1.79 -1.71 -0.10 0.00 0.00 175.22 173.41 1ml6 n ASN 10 N -3.46 4.84 -3.61 1.36 2.85 -1.26 -4.76 115.26 111.21 1ml6 n ASN 10 Ca 0.07 -2.97 -0.04 0.00 -0.11 0.00 0.00 54.58 51.53 1ml6 n ASN 10 Cb 0.58 -1.61 -0.00 0.00 1.24 0.00 0.00 39.78 39.99 1ml6 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ml6 s ALA 11 N 2.26 -1.59 0.00 5.20 0.00 -1.26 -5.06 121.76 121.31 1ml6 s ALA 11 Ca 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1ml6 s ALA 11 Cb 0.05 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1ml6 s ALA 11 CO 0.00 -1.05 0.78 0.54 0.00 0.00 0.00 175.76 176.04 1ml6 n ARG 12 N -0.53 0.00 0.00 0.00 1.74 -1.26 -4.70 116.66 111.90 1ml6 n ARG 12 Ca -0.05 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 1ml6 n ARG 12 Cb 0.60 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 1ml6 n ARG 12 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ml6 n GLY 13 N -0.43 0.89 0.00 -0.13 0.00 -1.26 -1.15 105.19 103.11 1ml6 n GLY 13 Ca 0.00 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.54 1ml6 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ml6 n ARG 14 N 0.00 0.08 0.12 1.61 1.74 -1.26 -3.43 116.66 115.51 1ml6 n ARG 14 Ca 0.00 0.06 0.01 0.00 -0.77 0.00 0.00 57.85 57.14 1ml6 n ARG 14 Cb 0.00 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 1ml6 n ARG 14 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1ml6 h MET 15 N 0.00 0.00 -1.00 5.56 4.05 -1.78 -3.36 114.93 118.41 1ml6 h MET 15 Ca 0.00 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.52 1ml6 h MET 15 Cb 0.40 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.12 1ml6 h MET 15 CO 0.00 0.56 0.63 1.49 0.23 0.00 0.00 176.91 179.82 1ml6 h GLU 16 N 0.00 1.02 -0.05 0.39 4.57 -1.16 -0.93 114.58 118.42 1ml6 h GLU 16 Ca -0.02 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 1ml6 h GLU 16 Cb 1.47 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1ml6 h GLU 16 CO 0.07 0.67 -0.10 0.00 -1.18 0.00 0.00 179.01 178.48 1ml6 h ILE 18 N 0.07 1.30 -0.34 0.00 2.04 -1.42 -1.87 117.51 117.29 1ml6 h ILE 18 Ca 0.01 -2.20 0.04 0.00 1.00 0.00 0.00 64.86 63.71 1ml6 h ILE 18 Cb 0.22 2.39 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 1ml6 h ILE 18 CO 0.01 0.68 0.13 0.03 0.00 0.00 0.00 178.15 179.00 1ml6 h ARG 19 N 0.32 0.27 -0.47 2.37 3.08 -0.71 -1.06 114.38 118.19 1ml6 h ARG 19 Ca -0.12 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.93 1ml6 h ARG 19 Cb 1.62 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.58 1ml6 h ARG 19 CO 0.19 0.18 0.29 -1.49 -1.07 0.00 0.00 179.97 178.07 1ml6 h TRP 20 N 0.28 0.55 -0.28 3.04 4.06 -1.16 0.11 115.95 122.55 1ml6 h TRP 20 Ca 0.15 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.10 1ml6 h TRP 20 Cb 0.11 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.08 1ml6 h TRP 20 CO -0.13 0.33 0.10 1.25 -3.56 0.00 0.00 178.44 176.42 1ml6 h LEU 21 N 0.59 0.40 -0.29 -4.49 5.85 -0.92 -0.14 115.31 116.30 1ml6 h LEU 21 Ca 0.18 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ml6 h LEU 21 Cb -0.01 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1ml6 h LEU 21 CO -0.07 0.47 0.16 -0.07 -0.34 0.00 0.00 178.44 178.60 1ml6 h LEU 22 N 0.30 0.36 -0.86 2.25 3.38 -1.07 -1.87 115.31 117.80 1ml6 h LEU 22 Ca 0.09 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ml6 h LEU 22 Cb 0.21 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1ml6 h LEU 22 CO -0.01 0.33 0.56 0.00 0.09 0.00 0.00 178.44 179.42 1ml6 h ALA 23 N 1.04 1.10 -0.15 1.53 0.00 -0.80 -1.18 119.26 120.81 1ml6 h ALA 23 Ca 0.10 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ml6 h ALA 23 Cb 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1ml6 h ALA 23 CO -0.02 0.45 -0.29 0.00 0.00 0.00 0.00 179.25 179.40 1ml6 h ALA 24 N 1.33 1.23 0.00 0.00 0.00 -0.81 -0.80 119.26 120.21 1ml6 h ALA 24 Ca 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ml6 h ALA 24 Cb -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ml6 h ALA 24 CO -0.09 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1ml6 n ALA 25 N -2.48 2.12 -1.29 0.00 0.00 -0.72 -4.80 120.51 113.34 1ml6 n ALA 25 Ca -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 1ml6 n ALA 25 Cb 0.40 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 1ml6 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ml6 n GLY 26 N 0.83 0.52 3.61 0.00 0.00 -0.31 -5.01 105.19 104.83 1ml6 n GLY 26 Ca 0.08 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 1ml6 n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ml6 s VAL 27 N -2.11 5.26 0.30 1.61 1.01 -0.52 -5.02 120.40 120.92 1ml6 s VAL 27 Ca 0.00 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 1ml6 s VAL 27 Cb 0.00 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1ml6 s VAL 27 CO 0.00 0.22 1.11 -1.61 0.00 0.00 0.00 175.10 174.83 1ml6 s GLU 28 N 1.78 4.56 0.08 2.72 2.02 -1.26 -4.31 118.70 124.28 1ml6 s GLU 28 Ca 0.11 1.82 -0.02 0.00 0.02 0.00 0.00 54.97 56.89 1ml6 s GLU 28 Cb -0.16 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 1ml6 s GLU 28 CO 0.10 0.13 0.02 -0.59 0.02 0.00 0.00 175.26 174.94 1ml6 s PHE 29 N -1.21 0.57 0.25 1.61 -0.12 -1.26 -4.16 117.98 113.66 1ml6 s PHE 29 Ca 0.46 -1.06 0.10 0.00 -0.05 0.00 0.00 56.93 56.38 1ml6 s PHE 29 Cb -0.32 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 41.66 1ml6 s PHE 29 CO 0.41 -0.44 -0.04 -1.21 -0.05 0.00 0.00 175.22 173.89 1ml6 s GLU 30 N -3.95 2.19 -0.02 1.99 2.02 -0.50 -4.98 118.70 115.46 1ml6 s GLU 30 Ca 0.12 -1.42 0.05 0.00 0.02 0.00 0.00 54.97 53.74 1ml6 s GLU 30 Cb 0.07 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 1ml6 s GLU 30 CO -0.07 0.37 -0.18 -1.21 0.02 0.00 0.00 175.26 174.20 1ml6 s GLU 31 N -3.51 1.51 -0.34 1.61 2.02 -1.26 -0.52 118.70 118.22 1ml6 s GLU 31 Ca 0.30 -0.64 0.03 0.00 0.02 0.00 0.00 54.97 54.68 1ml6 s GLU 31 Cb -0.07 -1.44 0.10 0.00 0.10 0.00 0.00 34.13 32.82 1ml6 s GLU 31 CO 0.19 0.37 0.05 0.15 0.02 0.00 0.00 175.26 176.03 1ml6 s LYS 32 N -0.35 1.65 0.28 1.61 1.02 -0.34 -4.92 119.74 118.69 1ml6 s LYS 32 Ca 0.05 -1.80 -0.29 0.00 0.02 0.00 0.00 55.97 53.95 1ml6 s LYS 32 Cb -0.08 -3.22 -0.09 0.00 -0.52 0.00 0.00 37.83 33.92 1ml6 s LYS 32 CO -0.00 -0.91 1.08 -0.06 -0.92 0.00 0.00 175.35 174.54 1ml6 s PHE 33 N 0.96 3.62 -0.41 3.18 0.08 -1.26 -3.50 117.98 120.65 1ml6 s PHE 33 Ca 0.08 1.73 -0.21 0.00 0.12 0.00 0.00 56.93 58.64 1ml6 s PHE 33 Cb -0.20 -3.24 0.02 0.00 -0.57 0.00 0.00 43.02 39.03 1ml6 s PHE 33 CO -0.07 -0.42 0.69 0.42 -0.10 0.00 0.00 175.22 175.74 1ml6 s ILE 34 N -1.18 4.79 -0.03 0.64 1.01 -0.01 -4.87 121.20 121.54 1ml6 s ILE 34 Ca 0.44 0.39 0.13 0.00 0.00 0.00 0.00 60.65 61.61 1ml6 s ILE 34 Cb -0.31 -4.20 -0.20 0.00 0.01 0.00 0.00 42.46 37.77 1ml6 s ILE 34 CO 0.39 -0.53 0.25 0.00 0.00 0.00 0.00 174.94 175.05 1ml6 n GLN 35 N 6.32 0.66 -4.03 2.79 6.02 -1.26 -4.29 117.38 123.59 1ml6 n GLN 35 Ca -0.00 -0.10 -0.08 0.00 -0.01 0.00 0.00 57.00 56.81 1ml6 n GLN 35 Cb 0.48 -1.32 -0.10 0.00 1.02 0.00 0.00 30.24 30.33 1ml6 n GLN 35 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1ml6 s SER 36 N -3.69 0.39 0.50 1.08 1.04 -1.26 -5.02 113.70 106.74 1ml6 s SER 36 Ca -0.05 -0.86 0.24 0.00 0.48 0.00 0.00 55.95 55.76 1ml6 s SER 36 Cb 0.08 0.21 1.33 0.00 0.10 0.00 0.00 66.02 67.74 1ml6 s SER 36 CO 0.55 -0.58 1.95 -0.65 0.98 0.00 0.00 173.24 175.48 1ml6 h PRO 37 N 3.28 0.10 -0.63 4.02 0.11 -1.96 0.24 132.00 137.16 1ml6 h PRO 37 Ca -0.34 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 1ml6 h PRO 37 Cb 1.16 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1ml6 h PRO 37 CO 0.61 0.07 0.20 0.93 -0.21 0.00 0.00 178.00 179.60 1ml6 h GLU 38 N 0.11 0.98 -0.35 1.05 3.07 -1.97 0.17 114.58 117.64 1ml6 h GLU 38 Ca 0.33 -0.21 0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1ml6 h GLU 38 Cb 1.16 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.90 1ml6 h GLU 38 CO -0.04 0.86 0.20 -0.44 -1.40 0.00 0.00 179.01 178.19 1ml6 h ASP 39 N 0.91 0.32 -0.18 1.42 3.32 -0.93 -0.43 116.42 120.86 1ml6 h ASP 39 Ca 0.20 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1ml6 h ASP 39 Cb 0.29 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1ml6 h ASP 39 CO -0.01 0.24 0.06 0.25 -1.72 0.00 0.00 179.24 178.06 1ml6 h LEU 40 N 0.41 0.25 -1.21 1.55 5.85 -1.16 -2.34 115.31 118.66 1ml6 h LEU 40 Ca 0.14 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1ml6 h LEU 40 Cb 0.01 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 1ml6 h LEU 40 CO -0.07 0.37 0.56 -0.33 -0.34 0.00 0.00 178.44 178.64 1ml6 h GLU 41 N 0.12 0.91 -0.33 1.25 4.39 -0.40 -1.76 114.58 118.75 1ml6 h GLU 41 Ca 0.06 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 1ml6 h GLU 41 Cb 0.21 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1ml6 h GLU 41 CO -0.00 0.60 -0.30 -0.22 -1.16 0.00 0.00 179.01 177.92 1ml6 h LYS 42 N 0.93 0.71 -0.13 2.33 3.64 -0.84 -0.43 116.57 122.80 1ml6 h LYS 42 Ca 0.38 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1ml6 h LYS 42 Cb 0.26 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1ml6 h LYS 42 CO -0.14 0.93 0.08 -0.07 -2.27 0.00 0.00 179.45 177.97 1ml6 h LEU 43 N 0.61 0.16 0.49 5.20 3.38 -0.80 -1.68 115.31 122.66 1ml6 h LEU 43 Ca 0.07 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1ml6 h LEU 43 Cb 0.82 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1ml6 h LEU 43 CO 0.07 0.17 -0.24 0.11 0.09 0.00 0.00 178.44 178.64 1ml6 h LYS 44 N 0.13 -0.64 -0.56 1.13 1.57 -1.22 -1.71 116.57 115.27 1ml6 h LYS 44 Ca 0.05 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1ml6 h LYS 44 Cb 0.04 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1ml6 h LYS 44 CO -0.01 -0.41 0.37 0.87 -0.57 0.00 0.00 179.45 179.70 1ml6 h LYS 45 N -0.69 0.53 -0.21 3.15 1.57 -1.04 -1.30 116.57 118.57 1ml6 h LYS 45 Ca -0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1ml6 h LYS 45 Cb 0.52 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1ml6 h LYS 45 CO 0.11 0.35 0.00 -0.25 -0.57 0.00 0.00 179.45 179.09 1ml6 n ASP 46 N -4.47 0.57 -2.07 0.86 9.92 -0.64 -4.89 116.55 115.83 1ml6 n ASP 46 Ca 0.07 -2.01 -0.13 0.00 -0.53 0.00 0.00 54.79 52.19 1ml6 n ASP 46 Cb 0.22 -0.12 0.03 0.00 -0.64 0.00 0.00 41.12 40.61 1ml6 n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ml6 n GLY 47 N 0.53 0.03 0.07 0.44 0.00 -0.49 -4.97 105.19 100.80 1ml6 n GLY 47 Ca 0.03 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.90 1ml6 n GLY 47 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ml6 n ASN 48 N -0.92 0.43 -4.17 1.61 3.02 -0.65 -4.89 115.26 109.70 1ml6 n ASN 48 Ca -0.03 0.18 -0.34 0.00 -0.03 0.00 0.00 54.58 54.35 1ml6 n ASN 48 Cb 0.55 0.99 -0.14 0.00 -0.61 0.00 0.00 39.78 40.57 1ml6 n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ml6 s LEU 49 N -5.20 3.60 0.34 3.41 1.43 -1.26 -4.88 118.68 116.13 1ml6 s LEU 49 Ca -0.05 -1.15 0.07 0.00 -1.03 0.00 0.00 54.13 51.97 1ml6 s LEU 49 Cb 0.10 -1.68 0.76 0.00 0.03 0.00 0.00 46.19 45.41 1ml6 s LEU 49 CO 0.84 -0.21 1.87 -0.03 0.23 0.00 0.00 176.35 179.06 1ml6 h MET 50 N 7.98 0.73 -0.02 1.70 1.85 -1.88 -2.33 114.93 122.96 1ml6 h MET 50 Ca -0.25 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 58.79 1ml6 h MET 50 Cb 1.07 -0.17 -0.00 0.00 0.43 0.00 0.00 31.60 32.93 1ml6 h MET 50 CO 0.54 0.49 -0.34 1.19 -0.40 0.00 0.00 176.91 178.38 1ml6 n PHE 51 N -4.56 0.06 -2.58 1.39 3.72 -1.26 -4.97 117.46 109.26 1ml6 n PHE 51 Ca 0.17 -1.37 -0.17 0.00 -0.05 0.00 0.00 57.45 56.03 1ml6 n PHE 51 Cb 0.43 -0.23 -0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1ml6 n PHE 51 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ml6 n ASP 52 N -1.20 -4.77 -4.19 4.37 8.00 -0.88 -4.97 116.55 112.91 1ml6 n ASP 52 Ca 0.19 0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.59 1ml6 n ASP 52 Cb 0.69 -3.99 -0.10 0.00 -0.02 0.00 0.00 41.12 37.71 1ml6 n ASP 52 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1ml6 s GLN 53 N -5.20 0.90 0.38 -1.24 -0.21 -1.26 -5.03 119.66 108.00 1ml6 s GLN 53 Ca 0.07 -1.36 0.08 0.00 0.02 0.00 0.00 55.36 54.17 1ml6 s GLN 53 Cb -0.03 -0.35 -0.07 0.00 1.00 0.00 0.00 33.01 33.56 1ml6 s GLN 53 CO 0.09 0.02 -0.00 0.14 -2.12 0.00 0.00 175.29 173.41 1ml6 s VAL 54 N -3.45 2.19 0.54 1.09 -7.23 -1.26 -4.66 120.40 107.61 1ml6 s VAL 54 Ca 0.13 -2.02 -0.21 0.00 -1.81 0.00 0.00 61.98 58.07 1ml6 s VAL 54 Cb 0.04 -2.87 -0.06 0.00 0.56 0.00 0.00 36.38 34.05 1ml6 s VAL 54 CO -0.03 -0.09 1.09 -2.65 -0.31 0.00 0.00 175.10 173.12 1ml6 n PRO 55 N -0.95 1.25 -3.83 4.82 -0.02 -1.26 -4.95 135.00 130.07 1ml6 n PRO 55 Ca -0.04 0.47 -0.14 0.00 -2.02 0.00 0.00 63.50 61.76 1ml6 n PRO 55 Cb 0.65 -2.26 -0.15 0.00 -0.02 0.00 0.00 33.50 31.72 1ml6 n PRO 55 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1ml6 s MET 56 N -2.60 0.01 -0.07 -0.52 1.75 -1.05 -3.73 119.30 113.08 1ml6 s MET 56 Ca 0.71 0.10 0.03 0.00 -1.25 0.00 0.00 55.69 55.28 1ml6 s MET 56 Cb -0.45 -0.18 0.01 0.00 2.84 0.00 0.00 34.83 37.05 1ml6 s MET 56 CO 0.50 -0.10 -0.15 0.08 -0.65 0.00 0.00 175.02 174.71 1ml6 s VAL 57 N 0.64 1.35 -0.30 10.11 1.01 0.37 -0.87 120.40 132.72 1ml6 s VAL 57 Ca -0.05 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 1ml6 s VAL 57 Cb -0.08 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1ml6 s VAL 57 CO -0.02 0.40 0.56 -1.61 0.00 0.00 0.00 175.10 174.44 1ml6 s GLU 58 N 0.59 3.89 -0.20 2.72 2.02 -0.12 -1.38 118.70 126.22 1ml6 s GLU 58 Ca -0.16 0.20 -0.12 0.00 0.02 0.00 0.00 54.97 54.91 1ml6 s GLU 58 Cb -0.16 -3.72 0.06 0.00 0.10 0.00 0.00 34.13 30.41 1ml6 s GLU 58 CO 0.05 -0.51 0.50 -1.50 0.02 0.00 0.00 175.26 173.82 1ml6 s ILE 59 N 2.46 -0.01 -1.42 -1.63 2.07 -0.73 -1.58 121.20 120.35 1ml6 s ILE 59 Ca 0.22 0.05 -0.04 0.00 -1.41 0.00 0.00 60.65 59.48 1ml6 s ILE 59 Cb -0.15 -0.73 0.03 0.00 0.13 0.00 0.00 42.46 41.73 1ml6 s ILE 59 CO 0.11 0.02 0.61 0.47 -1.91 0.00 0.00 174.94 174.24 1ml6 n ASP 60 N 4.03 -1.42 0.00 4.50 8.00 -1.26 -1.58 116.55 128.82 1ml6 n ASP 60 Ca -0.21 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1ml6 n ASP 60 Cb 0.56 -3.43 0.00 0.00 -0.02 0.00 0.00 41.12 38.24 1ml6 n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ml6 n GLY 61 N -1.77 0.83 3.66 0.44 0.00 -1.26 -5.01 105.19 102.08 1ml6 n GLY 61 Ca -0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1ml6 n GLY 61 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ml6 s MET 62 N -0.16 2.37 -0.53 1.61 -1.94 -0.61 -5.06 119.30 114.97 1ml6 s MET 62 Ca 0.00 -1.27 0.03 0.00 -1.71 0.00 0.00 55.69 52.74 1ml6 s MET 62 Cb 0.00 -2.26 0.13 0.00 2.01 0.00 0.00 34.83 34.71 1ml6 s MET 62 CO 0.00 0.40 0.28 0.15 -0.01 0.00 0.00 175.02 175.85 1ml6 s LYS 63 N -3.38 2.07 -0.14 2.03 1.02 -1.26 -1.78 119.74 118.30 1ml6 s LYS 63 Ca 0.30 -2.58 -0.21 0.00 0.02 0.00 0.00 55.97 53.50 1ml6 s LYS 63 Cb -0.08 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1ml6 s LYS 63 CO 0.20 -1.11 0.61 -1.17 -0.92 0.00 0.00 175.35 172.95 1ml6 s LEU 64 N -0.21 4.23 0.47 3.17 2.96 -0.48 -4.85 118.68 123.97 1ml6 s LEU 64 Ca 0.17 0.93 0.04 0.00 -0.22 0.00 0.00 54.13 55.06 1ml6 s LEU 64 Cb -0.25 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 1ml6 s LEU 64 CO -0.01 -0.16 0.07 0.68 -1.32 0.00 0.00 176.35 175.61 1ml6 s VAL 65 N 1.27 1.65 -0.00 1.68 -7.23 -1.26 -0.48 120.40 116.02 1ml6 s VAL 65 Ca 0.31 -1.91 -0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1ml6 s VAL 65 Cb -0.16 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.22 1ml6 s VAL 65 CO 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.92 1ml6 n GLN 66 N -1.21 -0.39 -0.32 4.82 1.13 -1.24 -4.49 117.38 115.68 1ml6 n GLN 66 Ca -0.10 0.75 -0.01 0.00 -1.94 0.00 0.00 57.00 55.69 1ml6 n GLN 66 Cb 0.66 -0.91 0.05 0.00 0.11 0.00 0.00 30.24 30.15 1ml6 n GLN 66 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1ml6 h THR 67 N 0.32 0.07 -0.35 5.09 2.02 -1.92 -0.99 112.91 117.16 1ml6 h THR 67 Ca -0.01 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1ml6 h THR 67 Cb 0.02 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 1ml6 h THR 67 CO 0.00 0.00 -0.04 0.03 0.37 0.00 0.00 175.52 175.88 1ml6 h ARG 68 N -0.05 0.56 -0.58 6.66 3.08 -1.97 -0.53 114.38 121.55 1ml6 h ARG 68 Ca 0.33 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.18 1ml6 h ARG 68 Cb 0.60 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1ml6 h ARG 68 CO -0.89 0.61 0.10 0.00 -1.07 0.00 0.00 179.97 178.72 1ml6 h ALA 69 N 1.44 0.77 -0.09 0.04 0.00 -1.48 -0.20 119.26 119.74 1ml6 h ALA 69 Ca 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ml6 h ALA 69 Cb 0.40 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ml6 h ALA 69 CO 0.02 0.51 -0.00 0.82 0.00 0.00 0.00 179.25 180.59 1ml6 h ILE 70 N 0.85 1.25 -0.61 0.00 2.04 -0.88 -2.33 117.51 117.83 1ml6 h ILE 70 Ca 0.18 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.26 1ml6 h ILE 70 Cb 0.40 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1ml6 h ILE 70 CO 0.01 0.23 0.37 -0.07 0.00 0.00 0.00 178.15 178.69 1ml6 h LEU 71 N -0.13 0.60 -0.85 1.44 3.38 -1.01 -1.51 115.31 117.22 1ml6 h LEU 71 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ml6 h LEU 71 Cb 0.35 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1ml6 h LEU 71 CO 0.00 0.42 0.46 0.78 0.09 0.00 0.00 178.44 180.19 1ml6 h ASN 72 N 0.73 1.08 -0.05 -0.43 2.35 -0.97 -0.10 115.58 118.19 1ml6 h ASN 72 Ca 0.25 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1ml6 h ASN 72 Cb 0.03 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 1ml6 h ASN 72 CO -0.10 0.88 -0.00 0.22 -1.65 0.00 0.00 177.43 176.78 1ml6 h TYR 73 N 1.20 0.09 -0.68 1.19 3.20 -1.06 -1.70 116.97 119.20 1ml6 h TYR 73 Ca 0.30 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1ml6 h TYR 73 Cb 0.05 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 1ml6 h TYR 73 CO 0.01 0.36 0.39 0.82 -1.64 0.00 0.00 178.16 178.10 1ml6 h ILE 74 N -0.22 1.21 -0.53 1.81 2.04 -1.15 0.76 117.51 121.43 1ml6 h ILE 74 Ca 0.01 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1ml6 h ILE 74 Cb 0.33 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1ml6 h ILE 74 CO 0.00 0.22 0.34 0.00 0.00 0.00 0.00 178.15 178.71 1ml6 h ALA 75 N 1.20 0.67 -0.09 1.87 0.00 -0.94 -1.25 119.26 120.72 1ml6 h ALA 75 Ca 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1ml6 h ALA 75 Cb 0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ml6 h ALA 75 CO -0.04 0.08 -0.01 1.15 0.00 0.00 0.00 179.25 180.43 1ml6 h THR 76 N 0.68 1.26 -0.71 0.00 2.02 -0.97 0.23 112.91 115.42 1ml6 h THR 76 Ca 0.20 -0.83 0.10 0.00 0.77 0.00 0.00 66.41 66.65 1ml6 h THR 76 Cb -0.04 1.63 -0.07 0.00 -1.74 0.00 0.00 68.15 67.92 1ml6 h THR 76 CO -0.06 0.24 0.34 0.50 0.37 0.00 0.00 175.52 176.91 1ml6 h LYS 77 N -0.12 0.56 -0.84 6.66 3.64 -0.64 -2.66 116.57 123.18 1ml6 h LYS 77 Ca 0.03 -0.03 -0.31 0.00 -1.27 0.00 0.00 60.65 59.06 1ml6 h LYS 77 Cb 0.37 -0.13 -0.18 0.00 -0.41 0.00 0.00 32.23 31.88 1ml6 h LYS 77 CO 0.01 0.37 0.39 0.66 -2.27 0.00 0.00 179.45 178.61 1ml6 n TYR 78 N -4.88 2.64 -3.92 1.91 4.01 -0.49 -4.94 117.16 111.49 1ml6 n TYR 78 Ca 0.11 -1.39 -0.30 0.00 -0.16 0.00 0.00 57.90 56.17 1ml6 n TYR 78 Cb 0.29 -0.77 0.02 0.00 -0.31 0.00 0.00 39.34 38.57 1ml6 n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1ml6 n ASP 79 N -0.44 -4.45 -0.66 7.72 8.00 -0.95 -4.87 116.55 120.89 1ml6 n ASP 79 Ca 0.46 -0.79 0.09 0.00 0.71 0.00 0.00 54.79 55.25 1ml6 n ASP 79 Cb 1.47 -3.84 0.22 0.00 -0.02 0.00 0.00 41.12 38.95 1ml6 n ASP 79 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ml6 n LEU 80 N -4.65 3.42 -0.91 0.64 4.77 0.76 -4.61 117.00 116.42 1ml6 n LEU 80 Ca 0.02 -2.95 0.02 0.00 -0.03 0.00 0.00 56.01 53.06 1ml6 n LEU 80 Cb 0.54 -0.49 0.21 0.00 -2.33 0.00 0.00 43.42 41.35 1ml6 n LEU 80 CO 0.76 0.68 0.66 0.00 -1.33 0.00 0.00 177.39 178.16 1ml6 n TYR 81 N -0.67 0.85 -2.86 -1.77 4.19 -1.18 -0.21 117.16 115.52 1ml6 n TYR 81 Ca 0.19 -1.30 0.00 0.00 3.31 0.00 0.00 57.90 60.10 1ml6 n TYR 81 Cb 0.79 -0.38 -0.00 0.00 0.49 0.00 0.00 39.34 40.24 1ml6 n TYR 81 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ml6 n GLY 82 N -0.97 -2.15 0.00 2.98 0.00 -1.26 -4.54 105.19 99.25 1ml6 n GLY 82 Ca 0.27 -1.46 0.05 0.00 0.00 0.00 0.00 46.02 44.87 1ml6 n GLY 82 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ml6 n LYS 83 N -0.30 1.30 -3.97 1.61 2.85 -1.26 -5.02 118.16 113.38 1ml6 n LYS 83 Ca 0.00 -0.06 -0.12 0.00 -1.05 0.00 0.00 58.31 57.08 1ml6 n LYS 83 Cb 0.00 -1.15 -0.02 0.00 -0.65 0.00 0.00 35.03 33.21 1ml6 n LYS 83 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1ml6 s ASP 84 N -2.79 0.41 0.48 -5.58 1.47 -1.26 -5.05 116.67 104.34 1ml6 s ASP 84 Ca -0.02 -1.25 0.22 0.00 1.18 0.00 0.00 52.55 52.68 1ml6 s ASP 84 Cb 0.07 0.72 1.20 0.00 -0.34 0.00 0.00 42.92 44.57 1ml6 s ASP 84 CO 0.41 -1.42 2.00 0.00 0.68 0.00 0.00 175.17 176.84 1ml6 h MET 85 N 2.08 0.00 -0.03 2.11 -0.00 -1.98 -0.01 114.93 117.11 1ml6 h MET 85 Ca -0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.40 1ml6 h MET 85 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.84 1ml6 h MET 85 CO 0.38 0.18 -0.03 0.87 -0.00 0.00 0.00 176.91 178.31 1ml6 h LYS 86 N 0.00 0.07 -0.48 -0.10 1.79 -1.99 -0.60 116.57 115.25 1ml6 h LYS 86 Ca -0.00 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1ml6 h LYS 86 Cb 0.40 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1ml6 h LYS 86 CO 0.02 0.55 0.19 0.93 -1.08 0.00 0.00 179.45 180.07 1ml6 h GLU 87 N -0.41 0.69 -0.22 3.15 5.08 -1.88 -1.96 114.58 119.04 1ml6 h GLU 87 Ca 0.00 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1ml6 h GLU 87 Cb 0.54 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1ml6 h GLU 87 CO 0.01 0.57 -0.24 0.00 -1.00 0.00 0.00 179.01 178.34 1ml6 h ARG 88 N 0.69 0.41 -0.60 2.33 3.08 -0.84 -0.49 114.38 118.95 1ml6 h ARG 88 Ca 0.17 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1ml6 h ARG 88 Cb 0.14 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1ml6 h ARG 88 CO -0.02 0.63 0.36 0.00 -1.07 0.00 0.00 179.97 179.87 1ml6 h ALA 89 N 1.38 0.77 -0.17 0.04 0.00 -0.33 0.37 119.26 121.33 1ml6 h ALA 89 Ca 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ml6 h ALA 89 Cb 0.63 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ml6 h ALA 89 CO 0.05 0.25 -0.03 -0.07 0.00 0.00 0.00 179.25 179.45 1ml6 h LEU 90 N 0.82 0.32 -0.64 0.00 3.38 -1.22 0.44 115.31 118.40 1ml6 h LEU 90 Ca 0.22 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.87 1ml6 h LEU 90 Cb -0.02 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1ml6 h LEU 90 CO -0.04 0.59 0.38 0.40 0.09 0.00 0.00 178.44 179.87 1ml6 h ILE 91 N 0.03 1.04 -0.34 1.22 2.04 -0.80 -0.11 117.51 120.59 1ml6 h ILE 91 Ca 0.04 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 1ml6 h ILE 91 Cb 0.45 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1ml6 h ILE 91 CO 0.01 0.14 -0.02 0.44 0.00 0.00 0.00 178.15 178.72 1ml6 h ASP 92 N 0.74 0.61 -0.22 1.72 3.32 -0.17 0.12 116.42 122.54 1ml6 h ASP 92 Ca 0.27 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1ml6 h ASP 92 Cb 0.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1ml6 h ASP 92 CO -0.13 0.79 0.06 -0.03 -1.72 0.00 0.00 179.24 178.21 1ml6 h MET 93 N 0.42 0.35 -0.26 3.56 1.85 -0.63 -0.94 114.93 119.28 1ml6 h MET 93 Ca 0.09 -0.08 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 1ml6 h MET 93 Cb 0.49 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.46 1ml6 h MET 93 CO 0.02 0.47 0.13 1.88 -0.40 0.00 0.00 176.91 179.01 1ml6 h TYR 94 N 0.18 0.37 -0.52 1.39 0.05 -0.96 -2.68 116.97 114.80 1ml6 h TYR 94 Ca 0.07 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.87 1ml6 h TYR 94 Cb 0.27 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.85 1ml6 h TYR 94 CO 0.01 0.34 0.28 1.15 -1.05 0.00 0.00 178.16 178.88 1ml6 h THR 95 N 0.30 0.99 -0.73 -2.88 2.02 -0.63 -1.49 112.91 110.48 1ml6 h THR 95 Ca 0.09 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1ml6 h THR 95 Cb 0.10 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1ml6 h THR 95 CO -0.01 0.10 0.38 -0.33 0.37 0.00 0.00 175.52 176.03 1ml6 h GLU 96 N 0.54 1.02 -0.46 6.66 4.39 -1.06 0.14 114.58 125.82 1ml6 h GLU 96 Ca 0.22 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 1ml6 h GLU 96 Cb 0.10 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1ml6 h GLU 96 CO -0.14 0.77 0.06 0.78 -1.16 0.00 0.00 179.01 179.31 1ml6 h GLY 97 N 1.07 0.83 0.97 -3.84 0.00 -1.12 -0.79 103.07 100.19 1ml6 h GLY 97 Ca 0.26 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1ml6 h GLY 97 CO -0.04 0.52 0.24 -2.22 0.00 0.00 0.00 176.54 175.04 1ml6 h ILE 98 N 0.63 1.16 -0.58 2.60 2.04 -0.64 -1.99 117.51 120.73 1ml6 h ILE 98 Ca 0.14 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 1ml6 h ILE 98 Cb 0.41 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1ml6 h ILE 98 CO 0.01 0.17 0.18 -0.07 0.00 0.00 0.00 178.15 178.44 1ml6 h LEU 99 N 0.57 0.81 -0.46 1.44 3.38 -0.60 -0.23 115.31 120.22 1ml6 h LEU 99 Ca 0.15 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ml6 h LEU 99 Cb 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ml6 h LEU 99 CO -0.02 0.77 0.30 0.44 0.09 0.00 0.00 178.44 180.01 1ml6 h ASP 100 N 0.85 0.52 0.22 -0.43 3.32 -0.68 -0.29 116.42 119.93 1ml6 h ASP 100 Ca 0.19 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.04 1ml6 h ASP 100 Cb 0.25 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1ml6 h ASP 100 CO -0.01 0.38 -0.76 0.25 -1.72 0.00 0.00 179.24 177.38 1ml6 h LEU 101 N 0.62 0.54 -0.79 1.55 5.85 -1.04 -2.21 115.31 119.84 1ml6 h LEU 101 Ca 0.17 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1ml6 h LEU 101 Cb -0.07 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1ml6 h LEU 101 CO -0.04 1.12 0.47 0.74 -0.34 0.00 0.00 178.44 180.39 1ml6 h THR 102 N 0.30 1.22 -0.08 1.05 2.02 -0.79 -0.60 112.91 116.04 1ml6 h THR 102 Ca -0.04 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 1ml6 h THR 102 Cb 1.34 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1ml6 h THR 102 CO 0.13 0.23 0.02 -0.08 0.37 0.00 0.00 175.52 176.19 1ml6 h GLU 103 N 1.08 0.13 -0.69 6.66 4.81 -0.98 -0.30 114.58 125.29 1ml6 h GLU 103 Ca 0.28 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.57 1ml6 h GLU 103 Cb -0.04 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.26 1ml6 h GLU 103 CO -0.05 0.31 0.33 1.98 -0.73 0.00 0.00 179.01 180.86 1ml6 h MET 104 N -0.08 0.56 -0.12 1.92 4.05 -1.05 0.54 114.93 120.74 1ml6 h MET 104 Ca 0.02 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.33 1ml6 h MET 104 Cb 0.24 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1ml6 h MET 104 CO 0.00 0.37 -0.25 0.82 0.23 0.00 0.00 176.91 178.08 1ml6 h ILE 105 N 0.58 1.38 -0.03 1.77 2.04 -0.99 -3.20 117.51 119.06 1ml6 h ILE 105 Ca 0.34 -1.53 -0.06 0.00 1.00 0.00 0.00 64.86 64.61 1ml6 h ILE 105 Cb 0.35 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1ml6 h ILE 105 CO -0.27 0.45 -0.24 1.23 0.00 0.00 0.00 178.15 179.32 1ml6 h GLY 106 N -0.04 0.05 2.00 5.37 0.00 -0.77 -2.63 103.07 107.05 1ml6 h GLY 106 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1ml6 h GLY 106 CO 0.06 0.03 -0.06 -1.61 0.00 0.00 0.00 176.54 174.95 1ml6 h GLN 107 N 0.04 0.00 -0.25 4.80 5.75 -0.89 -3.28 115.11 121.28 1ml6 h GLN 107 Ca 0.01 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 1ml6 h GLN 107 Cb 0.46 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.95 1ml6 h GLN 107 CO 0.03 0.06 -0.10 -0.07 -2.65 0.00 0.00 178.83 176.10 1ml6 h LEU 108 N 0.00 -0.35 0.00 -2.39 3.38 -1.50 -1.00 115.31 113.45 1ml6 h LEU 108 Ca -0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ml6 h LEU 108 Cb 0.37 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1ml6 h LEU 108 CO 0.01 -0.13 0.00 1.33 0.09 0.00 0.00 178.44 179.73 1ml6 n VAL 109 N -5.27 1.47 -3.51 1.22 0.24 -1.24 -4.85 118.33 106.39 1ml6 n VAL 109 Ca -0.01 0.37 -0.36 0.00 -2.04 0.00 0.00 64.34 62.29 1ml6 n VAL 109 Cb 0.19 -1.33 -0.05 0.00 -1.47 0.00 0.00 33.84 31.17 1ml6 n VAL 109 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ml6 n LEU 110 N -1.40 4.54 -4.80 1.34 4.77 -0.38 -5.05 117.00 116.02 1ml6 n LEU 110 Ca 0.01 -5.18 -0.31 0.00 -0.03 0.00 0.00 56.01 50.50 1ml6 n LEU 110 Cb 0.02 -1.10 -0.06 0.00 -2.33 0.00 0.00 43.42 39.95 1ml6 n LEU 110 CO 0.02 1.63 -0.24 -2.84 -1.33 0.00 0.00 177.39 174.62 1ml6 s PRO 112 N -1.70 3.00 0.64 3.23 0.02 -1.26 -5.12 135.00 133.81 1ml6 s PRO 112 Ca 0.30 -0.62 0.23 0.00 0.02 0.00 0.00 61.00 60.93 1ml6 s PRO 112 Cb -0.03 -2.80 1.14 0.00 0.02 0.00 0.00 34.50 32.83 1ml6 s PRO 112 CO -0.08 0.59 1.63 -1.35 -0.33 0.00 0.00 177.00 177.46 1ml6 h PRO 113 N 3.37 0.00 -0.82 5.54 0.11 -2.00 -0.66 132.00 137.54 1ml6 h PRO 113 Ca -0.47 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.08 1ml6 h PRO 113 Cb 1.17 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.95 1ml6 h PRO 113 CO 0.67 0.00 0.07 -0.40 -0.21 0.00 0.00 178.00 178.13 1ml6 n ASP 114 N -3.06 5.78 0.00 -2.05 5.68 -1.26 -4.52 116.55 117.13 1ml6 n ASP 114 Ca 0.04 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.57 1ml6 n ASP 114 Cb 0.74 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1ml6 n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ml6 n GLN 115 N -0.87 0.00 -0.33 0.11 6.02 -0.32 -4.89 117.38 117.10 1ml6 n GLN 115 Ca 0.52 0.00 0.25 0.00 -0.01 0.00 0.00 57.00 57.75 1ml6 n GLN 115 Cb 0.87 -0.11 0.47 0.00 1.02 0.00 0.00 30.24 32.50 1ml6 n GLN 115 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1ml6 h ARG 116 N 0.00 0.10 0.11 -1.09 2.43 -1.61 0.68 114.38 115.00 1ml6 h ARG 116 Ca 0.00 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1ml6 h ARG 116 Cb 0.00 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1ml6 h ARG 116 CO 0.00 0.07 -0.39 1.49 -1.51 0.00 0.00 179.97 179.63 1ml6 h GLU 117 N 0.11 -0.59 -0.32 0.20 4.57 -1.85 0.18 114.58 116.88 1ml6 h GLU 117 Ca 0.74 0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.82 1ml6 h GLU 117 Cb 1.80 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 30.52 1ml6 h GLU 117 CO -0.74 -0.39 -0.36 0.00 -1.18 0.00 0.00 179.01 176.33 1ml6 h ALA 118 N -0.07 0.47 -0.82 2.92 0.00 -0.28 -3.01 119.26 118.47 1ml6 h ALA 118 Ca 0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1ml6 h ALA 118 Cb 0.65 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1ml6 h ALA 118 CO -0.23 0.55 0.48 0.87 0.00 0.00 0.00 179.25 180.92 1ml6 h LYS 119 N 0.58 1.13 -0.35 0.00 1.79 0.10 -2.38 116.57 117.43 1ml6 h LYS 119 Ca 0.05 -0.11 -0.14 0.00 -2.18 0.00 0.00 60.65 58.26 1ml6 h LYS 119 Cb 0.95 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1ml6 h LYS 119 CO 0.09 0.80 -0.35 1.15 -1.08 0.00 0.00 179.45 180.06 1ml6 h THR 120 N 1.14 1.28 -0.48 -0.16 2.02 -0.62 -0.86 112.91 115.23 1ml6 h THR 120 Ca 0.29 -1.51 -0.11 0.00 0.77 0.00 0.00 66.41 65.85 1ml6 h THR 120 Cb -0.02 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1ml6 h THR 120 CO -0.05 0.50 -0.15 0.00 0.37 0.00 0.00 175.52 176.18 1ml6 h ALA 121 N 0.93 0.82 0.17 6.16 0.00 -1.38 -1.46 119.26 124.51 1ml6 h ALA 121 Ca 0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ml6 h ALA 121 Cb 0.90 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ml6 h ALA 121 CO 0.08 0.65 -0.08 1.25 0.00 0.00 0.00 179.25 181.15 1ml6 h LEU 122 N 0.81 -0.20 -0.48 0.00 5.85 -1.26 -0.65 115.31 119.38 1ml6 h LEU 122 Ca 0.12 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1ml6 h LEU 122 Cb 0.69 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 1ml6 h LEU 122 CO 0.05 -0.01 0.19 0.00 -0.34 0.00 0.00 178.44 178.33 1ml6 h ALA 123 N 0.42 0.59 -0.76 1.25 0.00 -1.05 0.21 119.26 119.91 1ml6 h ALA 123 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ml6 h ALA 123 Cb 0.30 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1ml6 h ALA 123 CO 0.04 -0.19 0.42 0.87 0.00 0.00 0.00 179.25 180.39 1ml6 h LYS 124 N 0.38 1.05 -0.12 0.00 1.57 -1.19 -0.17 116.57 118.08 1ml6 h LYS 124 Ca 0.22 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1ml6 h LYS 124 Cb 0.20 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ml6 h LYS 124 CO -0.21 0.78 0.07 0.22 -0.57 0.00 0.00 179.45 179.73 1ml6 h ASP 125 N 1.05 0.15 -0.74 0.86 3.58 0.03 -1.34 116.42 119.99 1ml6 h ASP 125 Ca 0.27 -0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.70 1ml6 h ASP 125 Cb 0.02 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 40.98 1ml6 h ASP 125 CO -0.04 0.17 0.44 0.03 -2.88 0.00 0.00 179.24 176.96 1ml6 h ARG 126 N 0.11 0.79 0.48 0.28 2.47 -0.25 0.80 114.38 119.06 1ml6 h ARG 126 Ca 0.04 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1ml6 h ARG 126 Cb 0.06 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 1ml6 h ARG 126 CO -0.01 0.53 -0.24 1.15 0.56 0.00 0.00 179.97 181.95 1ml6 h THR 127 N 0.82 0.50 0.00 2.04 2.02 -0.73 0.47 112.91 118.03 1ml6 h THR 127 Ca 0.32 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.36 1ml6 h THR 127 Cb 0.15 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1ml6 h THR 127 CO -0.16 0.00 -0.69 0.07 0.37 0.00 0.00 175.52 175.11 1ml6 h LYS 128 N -0.67 0.00 0.00 6.66 2.10 -1.04 -0.54 116.57 123.09 1ml6 h LYS 128 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1ml6 h LYS 128 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1ml6 h LYS 128 CO 0.10 0.69 -1.73 0.09 -2.00 0.00 0.00 179.45 176.59 1ml6 n ASN 129 N -3.46 0.84 0.01 7.07 3.02 0.25 -4.40 115.26 118.61 1ml6 n ASN 129 Ca 0.00 -0.09 -0.02 0.00 -0.03 0.00 0.00 54.58 54.44 1ml6 n ASN 129 Cb 0.74 1.75 -0.01 0.00 -0.61 0.00 0.00 39.78 41.65 1ml6 n ASN 129 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1ml6 n ARG 130 N -2.06 0.11 0.03 3.52 0.63 0.02 -4.77 116.66 114.15 1ml6 n ARG 130 Ca -0.03 0.04 -0.07 0.00 -0.92 0.00 0.00 57.85 56.88 1ml6 n ARG 130 Cb 0.45 -0.64 -0.05 0.00 0.45 0.00 0.00 32.46 32.68 1ml6 n ARG 130 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1ml6 h TYR 131 N -0.21 -0.18 -0.77 -0.14 0.05 -1.25 -2.87 116.97 111.60 1ml6 h TYR 131 Ca 0.00 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.88 1ml6 h TYR 131 Cb 0.21 0.06 -0.07 0.00 1.01 0.00 0.00 36.73 37.94 1ml6 h TYR 131 CO -0.09 0.14 0.41 -0.07 -1.05 0.00 0.00 178.16 177.50 1ml6 h LEU 132 N -0.99 0.55 -1.19 3.88 3.38 -1.32 -0.51 115.31 119.12 1ml6 h LEU 132 Ca -0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ml6 h LEU 132 Cb 0.40 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1ml6 h LEU 132 CO 0.03 0.31 0.50 -0.65 0.09 0.00 0.00 178.44 178.72 1ml6 h PRO 133 N 0.68 1.04 -0.45 1.13 0.11 -1.76 -0.43 132.00 132.32 1ml6 h PRO 133 Ca 0.38 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 1ml6 h PRO 133 Cb 0.40 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1ml6 h PRO 133 CO -0.27 0.71 0.27 0.00 -0.21 0.00 0.00 178.00 178.50 1ml6 h ALA 134 N 1.48 0.57 0.01 -0.75 0.00 -0.86 -0.99 119.26 118.72 1ml6 h ALA 134 Ca 0.28 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 1ml6 h ALA 134 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ml6 h ALA 134 CO -0.06 0.06 -0.93 0.74 0.00 0.00 0.00 179.25 179.07 1ml6 h PHE 135 N 0.60 0.41 -0.67 0.00 0.04 -1.15 -2.14 116.94 114.02 1ml6 h PHE 135 Ca 0.16 -0.23 0.02 0.00 2.80 0.00 0.00 57.97 60.72 1ml6 h PHE 135 Cb -0.00 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 1ml6 h PHE 135 CO -0.03 1.06 0.42 1.49 -0.60 0.00 0.00 178.31 180.65 1ml6 h GLU 136 N 0.15 0.82 -0.59 1.51 4.57 -0.98 -1.95 114.58 118.10 1ml6 h GLU 136 Ca -0.06 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 1ml6 h GLU 136 Cb 1.57 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.95 1ml6 h GLU 136 CO 0.15 0.54 0.21 -0.22 -1.18 0.00 0.00 179.01 178.51 1ml6 h LYS 137 N 0.84 0.87 -0.06 1.92 3.64 -1.03 -1.25 116.57 121.49 1ml6 h LYS 137 Ca 0.27 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1ml6 h LYS 137 Cb -0.01 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1ml6 h LYS 137 CO -0.09 0.73 0.03 0.28 -2.27 0.00 0.00 179.45 178.12 1ml6 h VAL 138 N 0.85 1.13 -0.74 2.00 2.07 -0.69 -0.34 116.25 120.53 1ml6 h VAL 138 Ca 0.20 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1ml6 h VAL 138 Cb 0.20 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1ml6 h VAL 138 CO -0.01 0.11 0.48 -0.07 0.02 0.00 0.00 177.57 178.09 1ml6 h LEU 139 N -0.05 0.80 -0.76 2.57 3.38 -1.28 -2.38 115.31 117.60 1ml6 h LEU 139 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ml6 h LEU 139 Cb 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1ml6 h LEU 139 CO -0.00 0.56 0.34 0.50 0.09 0.00 0.00 178.44 179.93 1ml6 h LYS 140 N 0.95 1.11 -0.65 1.13 3.64 -0.99 0.20 116.57 121.95 1ml6 h LYS 140 Ca 0.29 -0.18 0.15 0.00 -1.27 0.00 0.00 60.65 59.64 1ml6 h LYS 140 Cb -0.03 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.56 1ml6 h LYS 140 CO -0.09 0.88 0.45 0.66 -2.27 0.00 0.00 179.45 179.07 1ml6 h SER 141 N 1.08 0.21 0.00 4.20 4.64 -0.51 -3.17 113.55 119.99 1ml6 h SER 141 Ca 0.26 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1ml6 h SER 141 Cb 0.15 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1ml6 h SER 141 CO -0.03 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 1ml6 n HIS 142 N -4.43 0.00 -1.12 4.77 1.44 -1.12 -5.01 115.22 109.75 1ml6 n HIS 142 Ca 0.12 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.75 1ml6 n HIS 142 Cb 0.57 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.64 1ml6 n HIS 142 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ml6 n GLY 143 N 0.37 0.75 3.93 -1.39 0.00 0.69 -4.95 105.19 104.59 1ml6 n GLY 143 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1ml6 n GLY 143 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ml6 s GLN 144 N -2.45 3.00 0.49 1.61 -0.21 -1.26 -5.00 119.66 115.84 1ml6 s GLN 144 Ca 0.00 -0.23 0.29 0.00 0.02 0.00 0.00 55.36 55.43 1ml6 s GLN 144 Cb 0.00 -2.41 0.98 0.00 1.00 0.00 0.00 33.01 32.58 1ml6 s GLN 144 CO 0.00 -0.49 1.84 -0.44 -2.12 0.00 0.00 175.29 174.09 1ml6 h ASP 145 N 0.11 0.00 -3.01 5.90 3.32 -1.92 -3.45 116.42 117.36 1ml6 h ASP 145 Ca -0.46 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 55.98 1ml6 h ASP 145 Cb 1.25 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.63 1ml6 h ASP 145 CO 0.59 0.06 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.06 1ml6 s TYR 146 N -3.53 2.20 0.21 4.55 2.02 -1.26 -4.97 117.35 116.58 1ml6 s TYR 146 Ca 0.03 -0.38 -0.10 0.00 -0.37 0.00 0.00 57.07 56.25 1ml6 s TYR 146 Cb 0.08 -1.06 0.18 0.00 -0.40 0.00 0.00 41.96 40.76 1ml6 s TYR 146 CO 0.60 0.52 1.86 -0.07 -1.57 0.00 0.00 175.55 176.89 1ml6 h LEU 147 N 2.96 0.78 -8.00 -1.29 3.38 -1.87 -3.41 115.31 107.86 1ml6 h LEU 147 Ca -0.44 -0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.15 1ml6 h LEU 147 Cb 1.22 -0.18 -0.28 0.00 0.09 0.00 0.00 40.66 41.51 1ml6 h LEU 147 CO 0.52 0.55 -0.77 -0.69 0.09 0.00 0.00 178.44 178.13 1ml6 s VAL 148 N -6.12 0.62 -1.37 1.22 1.01 -1.26 -4.85 120.40 109.65 1ml6 s VAL 148 Ca -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1ml6 s VAL 148 Cb 0.15 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1ml6 s VAL 148 CO 0.77 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.65 1ml6 n GLY 149 N 2.86 1.23 2.52 4.51 0.00 -1.26 -3.04 105.19 112.00 1ml6 n GLY 149 Ca -0.13 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 1ml6 n GLY 149 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ml6 n ASN 150 N -1.22 -4.62 -3.74 1.61 4.05 -1.26 -4.94 115.26 105.13 1ml6 n ASN 150 Ca -0.13 0.07 -0.12 0.00 0.45 0.00 0.00 54.58 54.85 1ml6 n ASN 150 Cb 0.61 -3.88 -0.07 0.00 1.23 0.00 0.00 39.78 37.67 1ml6 n ASN 150 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 1ml6 s ARG 151 N -5.13 0.82 0.25 1.20 3.52 -1.17 -4.85 118.95 113.59 1ml6 s ARG 151 Ca 0.04 -0.48 -0.31 0.00 -0.13 0.00 0.00 55.73 54.85 1ml6 s ARG 151 Cb -0.02 0.36 -0.11 0.00 -1.56 0.00 0.00 34.95 33.62 1ml6 s ARG 151 CO 0.05 -0.27 1.60 -1.17 -0.81 0.00 0.00 175.30 174.70 1ml6 s LEU 152 N -2.05 4.36 0.30 -0.88 2.96 -1.26 -4.58 118.68 117.53 1ml6 s LEU 152 Ca -0.05 2.85 0.03 0.00 -0.22 0.00 0.00 54.13 56.74 1ml6 s LEU 152 Cb -0.01 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1ml6 s LEU 152 CO -0.03 -0.89 0.18 0.42 -1.32 0.00 0.00 176.35 174.71 1ml6 s THR 153 N 0.42 0.24 0.39 3.68 -4.23 -1.26 -4.85 115.64 110.02 1ml6 s THR 153 Ca 0.66 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.28 1ml6 s THR 153 Cb -0.47 -2.50 0.33 0.00 1.34 0.00 0.00 72.50 71.20 1ml6 s THR 153 CO 0.41 0.00 1.92 0.08 -0.54 0.00 0.00 174.62 176.49 1ml6 h ARG 154 N 2.24 0.57 0.00 3.99 0.11 -0.97 -2.29 114.38 118.02 1ml6 h ARG 154 Ca -0.32 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 59.65 1ml6 h ARG 154 Cb 1.25 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.19 1ml6 h ARG 154 CO 0.49 0.38 -0.35 -0.24 0.10 0.00 0.00 179.97 180.35 1ml6 h VAL 155 N 0.58 0.88 -0.67 0.08 3.04 -1.89 -0.23 116.25 118.03 1ml6 h VAL 155 Ca 0.37 -1.42 -0.08 0.00 -1.01 0.00 0.00 66.70 64.56 1ml6 h VAL 155 Cb 0.64 1.87 -0.03 0.00 -2.01 0.00 0.00 31.29 31.75 1ml6 h VAL 155 CO -0.14 0.35 0.13 0.44 -1.01 0.00 0.00 177.57 177.33 1ml6 h ASP 156 N 0.00 1.05 -0.24 3.17 3.32 -1.81 0.16 116.42 122.07 1ml6 h ASP 156 Ca -0.00 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.75 1ml6 h ASP 156 Cb 0.84 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1ml6 h ASP 156 CO 0.05 1.03 -0.06 0.58 -1.72 0.00 0.00 179.24 179.11 1ml6 h VAL 157 N 1.03 1.28 -0.53 -1.35 2.07 -1.40 -1.23 116.25 116.13 1ml6 h VAL 157 Ca 0.21 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1ml6 h VAL 157 Cb 0.42 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1ml6 h VAL 157 CO 0.01 0.33 0.22 0.45 0.02 0.00 0.00 177.57 178.60 1ml6 h HIS 158 N 0.21 0.75 -0.18 1.57 3.86 -0.66 -2.03 115.15 118.66 1ml6 h HIS 158 Ca 0.06 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 1ml6 h HIS 158 Cb 0.53 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 1ml6 h HIS 158 CO 0.05 0.58 -0.11 1.25 0.86 0.00 0.00 177.93 180.56 1ml6 h LEU 159 N 0.75 0.42 -0.45 2.43 5.85 -0.52 -2.06 115.31 121.72 1ml6 h LEU 159 Ca 0.18 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.55 1ml6 h LEU 159 Cb 0.14 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 1ml6 h LEU 159 CO -0.02 0.76 0.03 0.25 -0.34 0.00 0.00 178.44 179.13 1ml6 h LEU 160 N 0.08 -0.12 -0.42 2.25 5.85 -0.97 -0.08 115.31 121.89 1ml6 h LEU 160 Ca 0.04 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1ml6 h LEU 160 Cb 0.62 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1ml6 h LEU 160 CO 0.03 -0.03 0.19 -0.08 -0.34 0.00 0.00 178.44 178.22 1ml6 h GLU 161 N 0.15 0.38 -0.80 1.25 4.81 -1.30 -1.93 114.58 117.14 1ml6 h GLU 161 Ca 0.23 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1ml6 h GLU 161 Cb 0.32 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 1ml6 h GLU 161 CO -0.35 0.25 0.40 1.25 -0.73 0.00 0.00 179.01 179.84 1ml6 h LEU 162 N 0.39 1.04 -1.48 1.64 5.85 -0.62 -2.29 115.31 119.83 1ml6 h LEU 162 Ca 0.19 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ml6 h LEU 162 Cb 0.12 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1ml6 h LEU 162 CO -0.15 0.87 0.29 -0.07 -0.34 0.00 0.00 178.44 179.04 1ml6 h LEU 163 N 1.13 0.56 -0.61 2.25 3.38 -0.41 0.18 115.31 121.79 1ml6 h LEU 163 Ca 0.28 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 1ml6 h LEU 163 Cb 0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1ml6 h LEU 163 CO -0.04 0.43 0.06 -0.07 0.09 0.00 0.00 178.44 178.91 1ml6 h LEU 164 N 0.66 1.01 -0.72 1.67 3.38 -0.82 -0.11 115.31 120.37 1ml6 h LEU 164 Ca 0.17 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1ml6 h LEU 164 Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1ml6 h LEU 164 CO -0.03 1.03 -0.58 1.88 0.09 0.00 0.00 178.44 180.83 1ml6 h TYR 165 N 0.94 0.23 -0.33 1.13 0.05 -0.78 -1.64 116.97 116.58 1ml6 h TYR 165 Ca 0.18 -0.09 -0.07 0.00 0.05 0.00 0.00 58.73 58.80 1ml6 h TYR 165 Cb 0.48 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 1ml6 h TYR 165 CO 0.04 0.72 -0.09 0.28 -1.05 0.00 0.00 178.16 178.06 1ml6 h VAL 166 N 0.14 1.28 -0.44 -2.88 2.07 -0.41 -1.77 116.25 114.24 1ml6 h VAL 166 Ca -0.00 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 1ml6 h VAL 166 Cb 1.07 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1ml6 h VAL 166 CO 0.09 0.37 0.16 -0.08 0.02 0.00 0.00 177.57 178.13 1ml6 h GLU 167 N 0.41 0.63 -0.30 1.57 4.81 -0.83 -0.65 114.58 120.22 1ml6 h GLU 167 Ca 0.08 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1ml6 h GLU 167 Cb 0.58 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1ml6 h GLU 167 CO 0.03 0.54 -0.40 0.93 -0.73 0.00 0.00 179.01 179.38 1ml6 h GLU 168 N 0.63 0.73 0.22 1.92 5.08 -1.09 -2.69 114.58 119.38 1ml6 h GLU 168 Ca 0.15 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1ml6 h GLU 168 Cb 0.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1ml6 h GLU 168 CO -0.01 1.00 -0.10 1.25 -1.00 0.00 0.00 179.01 180.14 1ml6 h LEU 169 N 0.60 -0.25 -5.98 1.33 6.46 -0.57 -3.44 115.31 113.47 1ml6 h LEU 169 Ca 0.05 -0.21 0.08 0.00 -0.12 0.00 0.00 57.88 57.68 1ml6 h LEU 169 Cb 0.94 0.06 -0.20 0.00 -0.73 0.00 0.00 40.66 40.74 1ml6 h LEU 169 CO 0.09 0.09 -0.28 -0.62 -0.62 0.00 0.00 178.44 177.09 1ml6 s ASP 170 N -5.19 -1.27 0.61 1.25 -1.08 -0.32 -5.04 116.67 105.63 1ml6 s ASP 170 Ca -0.15 0.07 0.29 0.00 -0.52 0.00 0.00 52.55 52.24 1ml6 s ASP 170 Cb 0.03 1.78 1.51 0.00 -1.46 0.00 0.00 42.92 44.78 1ml6 s ASP 170 CO 0.59 -0.22 1.91 0.00 0.52 0.00 0.00 175.17 177.97 1ml6 h ALA 171 N 7.65 1.96 0.00 3.66 0.00 -1.64 0.57 119.26 131.46 1ml6 h ALA 171 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ml6 h ALA 171 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ml6 h ALA 171 CO 0.07 -0.60 0.00 0.66 0.00 0.00 0.00 179.25 179.39 1ml6 h SER 172 N 0.00 0.00 -0.03 0.00 4.64 -1.91 -3.09 113.55 113.16 1ml6 h SER 172 Ca 0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1ml6 h SER 172 Cb 1.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1ml6 h SER 172 CO -0.00 0.00 -0.03 -0.07 -0.87 0.00 0.00 176.83 175.86 1ml6 h LEU 173 N 0.00 0.15 0.00 5.97 3.38 -1.21 -2.73 115.31 120.88 1ml6 h LEU 173 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ml6 h LEU 173 Cb 0.46 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1ml6 h LEU 173 CO 0.00 0.22 -0.36 -0.07 0.09 0.00 0.00 178.44 178.31 1ml6 h LEU 174 N 0.17 0.00 -0.65 1.67 3.38 -1.74 -3.39 115.31 114.75 1ml6 h LEU 174 Ca 0.04 -0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.06 1ml6 h LEU 174 Cb 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 1ml6 h LEU 174 CO 0.01 0.04 0.12 0.74 0.09 0.00 0.00 178.44 179.44 1ml6 h THR 175 N 0.00 0.57 0.00 0.22 2.02 -1.63 -1.78 112.91 112.31 1ml6 h THR 175 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1ml6 h THR 175 Cb 0.82 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1ml6 h THR 175 CO 0.00 0.04 0.00 -2.65 0.37 0.00 0.00 175.52 173.28 1ml6 n PRO 176 N -5.16 0.78 -3.82 6.66 -0.02 -1.26 -4.47 135.00 127.70 1ml6 n PRO 176 Ca 0.11 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.29 1ml6 n PRO 176 Cb 0.37 -1.08 -0.13 0.00 -0.02 0.00 0.00 33.50 32.65 1ml6 n PRO 176 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1ml6 s PHE 177 N -2.00 2.65 0.08 6.00 0.08 -0.67 -4.98 117.98 119.14 1ml6 s PHE 177 Ca 0.06 -2.85 -0.21 0.00 0.12 0.00 0.00 56.93 54.04 1ml6 s PHE 177 Cb 0.03 -2.33 -0.11 0.00 -0.57 0.00 0.00 43.02 40.04 1ml6 s PHE 177 CO 0.04 -0.73 1.64 -1.00 -0.10 0.00 0.00 175.22 175.07 1ml6 h PRO 178 N 6.38 0.20 -1.00 0.24 0.13 -1.82 -2.14 132.00 134.00 1ml6 h PRO 178 Ca 0.00 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.14 1ml6 h PRO 178 Cb 0.89 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.92 1ml6 h PRO 178 CO 0.59 0.28 0.65 -0.07 -0.23 0.00 0.00 178.00 179.23 1ml6 h LEU 179 N 0.08 1.08 -0.90 1.56 3.38 -1.93 -1.31 115.31 117.27 1ml6 h LEU 179 Ca 0.05 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1ml6 h LEU 179 Cb 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ml6 h LEU 179 CO -0.00 0.73 -0.29 -0.07 0.09 0.00 0.00 178.44 178.90 1ml6 h LEU 180 N 1.25 0.47 -0.56 1.67 3.38 -1.89 -1.13 115.31 118.50 1ml6 h LEU 180 Ca 0.40 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 1ml6 h LEU 180 Cb 0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1ml6 h LEU 180 CO -0.13 0.75 -0.09 0.11 0.09 0.00 0.00 178.44 179.16 1ml6 h LYS 181 N 0.41 1.05 -0.24 1.13 1.57 -0.63 -0.13 116.57 119.73 1ml6 h LYS 181 Ca 0.05 -0.38 -0.15 0.00 -1.87 0.00 0.00 60.65 58.30 1ml6 h LYS 181 Cb 0.72 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1ml6 h LYS 181 CO 0.05 1.08 -0.47 0.00 -0.57 0.00 0.00 179.45 179.54 1ml6 h ALA 182 N 0.94 0.73 -0.11 3.86 0.00 -1.11 -2.53 119.26 121.04 1ml6 h ALA 182 Ca 0.15 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ml6 h ALA 182 Cb 0.67 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ml6 h ALA 182 CO 0.05 0.67 0.05 0.35 0.00 0.00 0.00 179.25 180.37 1ml6 h PHE 183 N 0.50 0.16 -0.74 0.00 3.04 -1.02 -1.39 116.94 117.49 1ml6 h PHE 183 Ca 0.03 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.05 1ml6 h PHE 183 Cb 1.01 -0.05 -0.07 0.00 2.56 0.00 0.00 35.95 39.40 1ml6 h PHE 183 CO 0.05 0.23 0.40 -0.22 -2.02 0.00 0.00 178.31 176.75 1ml6 h LYS 184 N 0.04 0.68 -0.16 1.11 3.64 -0.91 -0.81 116.57 120.15 1ml6 h LYS 184 Ca 0.04 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1ml6 h LYS 184 Cb 0.13 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1ml6 h LYS 184 CO -0.00 0.45 0.03 0.77 -2.27 0.00 0.00 179.45 178.42 1ml6 h SER 185 N 0.70 0.26 0.50 4.20 0.02 -1.21 -1.86 113.55 116.15 1ml6 h SER 185 Ca 0.35 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1ml6 h SER 185 Cb 0.30 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1ml6 h SER 185 CO -0.23 0.45 -0.27 0.03 -1.14 0.00 0.00 176.83 175.67 1ml6 h ARG 186 N 0.06 -0.69 -0.63 3.45 3.08 -0.78 -2.13 114.38 116.74 1ml6 h ARG 186 Ca 0.05 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.22 1ml6 h ARG 186 Cb 0.30 0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 1ml6 h ARG 186 CO 0.00 -0.46 0.31 0.82 -1.07 0.00 0.00 179.97 179.58 1ml6 h ILE 187 N -0.72 0.89 -0.03 2.04 1.08 -1.19 -0.06 117.51 119.52 1ml6 h ILE 187 Ca -0.06 -0.19 0.01 0.00 -0.39 0.00 0.00 64.86 64.22 1ml6 h ILE 187 Cb 0.57 0.27 -0.00 0.00 -3.07 0.00 0.00 36.82 34.60 1ml6 h ILE 187 CO 0.08 0.10 0.04 0.28 -0.69 0.00 0.00 178.15 177.97 1ml6 h SER 188 N 0.57 0.00 1.56 1.72 0.02 -1.14 -1.51 113.55 114.76 1ml6 h SER 188 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1ml6 h SER 188 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1ml6 h SER 188 CO -0.23 0.00 -0.04 0.28 -1.14 0.00 0.00 176.83 175.71 1ml6 h SER 189 N 0.00 0.00 -2.43 3.07 0.02 -0.32 -3.16 113.55 110.73 1ml6 h SER 189 Ca 0.01 -0.01 -0.56 0.00 -0.84 0.00 0.00 61.79 60.40 1ml6 h SER 189 Cb 0.09 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.69 1ml6 h SER 189 CO -0.00 0.00 0.92 0.18 -1.14 0.00 0.00 176.83 176.80 1ml6 n LEU 190 N -2.44 3.55 -0.31 5.07 4.77 -0.57 -4.70 117.00 122.37 1ml6 n LEU 190 Ca 0.05 1.06 0.03 0.00 -0.03 0.00 0.00 56.01 57.12 1ml6 n LEU 190 Cb 0.45 -1.49 0.10 0.00 -2.33 0.00 0.00 43.42 40.15 1ml6 n LEU 190 CO 0.31 -0.05 0.67 -0.65 -1.33 0.00 0.00 177.39 176.34 1ml6 h PRO 191 N 6.60 -0.01 -0.50 3.23 0.11 -1.89 0.47 132.00 140.02 1ml6 h PRO 191 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1ml6 h PRO 191 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1ml6 h PRO 191 CO 0.92 -0.01 -0.03 -0.91 -0.21 0.00 0.00 178.00 177.76 1ml6 h ASN 192 N -0.01 0.83 -0.10 -2.05 2.35 -1.87 -1.35 115.58 113.37 1ml6 h ASN 192 Ca 0.40 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 1ml6 h ASN 192 Cb 0.63 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1ml6 h ASN 192 CO -0.90 0.91 -0.17 0.58 -1.65 0.00 0.00 177.43 176.20 1ml6 h VAL 193 N 0.78 1.39 -0.76 2.81 2.07 -1.25 -2.55 116.25 118.75 1ml6 h VAL 193 Ca 0.14 -1.44 0.08 0.00 0.82 0.00 0.00 66.70 66.30 1ml6 h VAL 193 Cb 0.52 2.10 -0.07 0.00 -1.52 0.00 0.00 31.29 32.32 1ml6 h VAL 193 CO 0.03 0.41 0.42 0.50 0.02 0.00 0.00 177.57 178.95 1ml6 h LYS 194 N -0.15 0.70 -0.72 1.57 3.64 -0.11 0.03 116.57 121.53 1ml6 h LYS 194 Ca 0.01 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1ml6 h LYS 194 Cb 0.75 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1ml6 h LYS 194 CO 0.04 0.46 0.46 -0.22 -2.27 0.00 0.00 179.45 177.92 1ml6 h LYS 195 N 0.72 0.89 0.00 1.90 1.63 -1.16 -1.52 116.57 119.03 1ml6 h LYS 195 Ca 0.36 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 60.00 1ml6 h LYS 195 Cb 0.31 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1ml6 h LYS 195 CO -0.23 0.59 -0.49 0.35 -3.45 0.00 0.00 179.45 176.21 1ml6 h PHE 196 N 0.92 0.00 0.00 1.91 3.57 -0.89 -2.97 116.94 119.48 1ml6 h PHE 196 Ca 0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1ml6 h PHE 196 Cb -0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1ml6 h PHE 196 CO -0.03 0.49 0.00 -0.07 -2.23 0.00 0.00 178.31 176.47 1ml6 h LEU 197 N 0.00 0.00-10.08 0.59 3.38 -0.24 -3.41 115.31 105.55 1ml6 h LEU 197 Ca -0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1ml6 h LEU 197 Cb 1.06 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.88 1ml6 h LEU 197 CO 0.06 0.00 0.43 -1.10 0.09 0.00 0.00 178.44 177.93 1ml6 s GLN 198 N -3.30 3.44 0.64 1.13 -0.21 -0.65 -4.97 119.66 115.74 1ml6 s GLN 198 Ca 0.06 1.61 -0.18 0.00 0.02 0.00 0.00 55.36 56.87 1ml6 s GLN 198 Cb 0.07 -2.06 -0.02 0.00 1.00 0.00 0.00 33.01 32.00 1ml6 s GLN 198 CO 0.62 -0.78 1.11 -0.35 -2.12 0.00 0.00 175.29 173.77 1ml6 n PRO 199 N -1.18 0.92 -0.29 2.91 -0.04 -1.26 -2.86 135.00 133.20 1ml6 n PRO 199 Ca 0.11 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1ml6 n PRO 199 Cb 0.51 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1ml6 n PRO 199 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ml6 n GLY 200 N 1.11 1.59 3.85 0.55 0.00 -1.26 -5.04 105.19 105.99 1ml6 n GLY 200 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1ml6 n GLY 200 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ml6 s SER 201 N -3.24 3.39 0.00 1.61 1.04 -1.14 -4.94 113.70 110.42 1ml6 s SER 201 Ca 0.00 0.61 0.13 0.00 0.48 0.00 0.00 55.95 57.17 1ml6 s SER 201 Cb 0.00 -0.93 0.77 0.00 0.10 0.00 0.00 66.02 65.96 1ml6 s SER 201 CO 0.00 -2.59 1.42 0.00 0.98 0.00 0.00 173.24 173.04 1ml6 n GLN 202 N -3.74 0.90 -1.95 4.02 6.02 -1.26 -4.84 117.38 116.53 1ml6 n GLN 202 Ca 0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.69 1ml6 n GLN 202 Cb 0.60 -1.22 -0.02 0.00 1.02 0.00 0.00 30.24 30.62 1ml6 n GLN 202 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1ml6 s ARG 203 N -2.00 4.23 0.09 -1.09 3.52 -1.26 -5.00 118.95 117.44 1ml6 s ARG 203 Ca 0.19 2.39 0.01 0.00 -0.13 0.00 0.00 55.73 58.19 1ml6 s ARG 203 Cb 0.09 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 1ml6 s ARG 203 CO 0.15 -0.43 0.20 0.15 -0.81 0.00 0.00 175.30 174.57 1ml6 s LYS 204 N -1.08 3.31 0.54 5.12 -0.14 -1.26 -5.02 119.74 121.23 1ml6 s LYS 204 Ca 0.56 -0.55 -0.01 0.00 -1.36 0.00 0.00 55.97 54.62 1ml6 s LYS 204 Cb -0.43 -2.94 0.02 0.00 -1.68 0.00 0.00 37.83 32.80 1ml6 s LYS 204 CO 0.50 0.57 0.79 -1.25 -0.76 0.00 0.00 175.35 175.20 1ml6 s PRO 205 N -2.72 2.69 0.65 -1.68 0.04 -1.26 -4.86 135.00 127.86 1ml6 s PRO 205 Ca 0.34 -0.55 -0.15 0.00 0.04 0.00 0.00 61.00 60.67 1ml6 s PRO 205 Cb -0.12 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 1ml6 s PRO 205 CO 0.27 -0.65 1.10 -2.14 0.04 0.00 0.00 177.00 175.61 1ml6 s PRO 206 N -4.79 2.92 0.02 0.56 0.02 -1.26 -4.47 135.00 128.01 1ml6 s PRO 206 Ca 0.55 1.33 -0.10 0.00 0.02 0.00 0.00 61.00 62.80 1ml6 s PRO 206 Cb -0.10 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 1ml6 s PRO 206 CO 0.40 -1.15 0.34 -0.51 -0.33 0.00 0.00 177.00 175.75 1ml6 s LEU 207 N -4.81 4.39 0.00 -5.54 1.02 -1.26 -5.08 118.68 107.40 1ml6 s LEU 207 Ca 0.66 0.73 -0.06 0.00 0.02 0.00 0.00 54.13 55.47 1ml6 s LEU 207 Cb -0.19 -2.71 0.17 0.00 0.02 0.00 0.00 46.19 43.48 1ml6 s LEU 207 CO 0.41 0.26 1.09 -0.90 0.02 0.00 0.00 176.35 177.22 1ml6 n ASP 208 N 1.29 0.82 0.04 2.29 5.68 -1.26 -4.88 116.55 120.53 1ml6 n ASP 208 Ca -0.12 -1.84 -0.12 0.00 -0.50 0.00 0.00 54.79 52.21 1ml6 n ASP 208 Cb 0.53 -0.76 -0.07 0.00 -1.14 0.00 0.00 41.12 39.67 1ml6 n ASP 208 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ml6 h ALA 209 N -1.08 -0.01 -0.10 2.12 0.00 -1.98 -1.60 119.26 116.61 1ml6 h ALA 209 Ca -0.36 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1ml6 h ALA 209 Cb 1.16 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1ml6 h ALA 209 CO 0.32 -0.50 -0.02 -0.22 0.00 0.00 0.00 179.25 178.83 1ml6 h LYS 210 N -0.01 0.01 -0.90 0.00 3.64 -1.99 -0.50 116.57 116.82 1ml6 h LYS 210 Ca -0.00 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1ml6 h LYS 210 Cb 0.01 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 1ml6 h LYS 210 CO 0.00 0.01 0.58 1.96 -2.27 0.00 0.00 179.45 179.72 1ml6 h GLN 211 N 0.01 1.06 -0.03 1.90 4.20 -1.93 0.21 115.11 120.53 1ml6 h GLN 211 Ca 0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ml6 h GLN 211 Cb 0.07 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1ml6 h GLN 211 CO -0.09 0.70 0.01 0.82 -0.67 0.00 0.00 178.83 179.59 1ml6 h ILE 212 N 1.09 1.16 -0.85 2.54 2.04 -0.85 -1.98 117.51 120.66 1ml6 h ILE 212 Ca 0.37 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1ml6 h ILE 212 Cb 0.07 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1ml6 h ILE 212 CO -0.14 0.13 0.52 -0.08 0.00 0.00 0.00 178.15 178.58 1ml6 h GLU 213 N -0.15 1.14 0.39 2.37 4.57 -0.58 0.14 114.58 122.46 1ml6 h GLU 213 Ca 0.01 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1ml6 h GLU 213 Cb 0.20 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1ml6 h GLU 213 CO -0.00 0.79 -0.34 1.49 -1.18 0.00 0.00 179.01 179.77 1ml6 h GLU 214 N 1.17 -0.69 -0.52 1.92 4.57 -0.37 -2.35 114.58 118.30 1ml6 h GLU 214 Ca 0.31 0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.58 1ml6 h GLU 214 Cb -0.07 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1ml6 h GLU 214 CO -0.06 -0.46 0.35 0.00 -1.18 0.00 0.00 179.01 177.66 1ml6 h ALA 215 N -1.24 1.82 -0.24 2.92 0.00 -1.17 0.88 119.26 122.23 1ml6 h ALA 215 Ca -0.05 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ml6 h ALA 215 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ml6 h ALA 215 CO -0.02 0.11 0.16 0.00 0.00 0.00 0.00 179.25 179.50 1ml6 h ARG 216 N 0.53 0.14 0.02 0.00 3.08 -0.35 0.20 114.38 118.00 1ml6 h ARG 216 Ca 0.22 -0.01 -0.34 0.00 0.07 0.00 0.00 59.98 59.92 1ml6 h ARG 216 Cb 0.20 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 1ml6 h ARG 216 CO -0.06 0.09 -2.10 1.17 -1.07 0.00 0.00 179.97 178.00 1ml6 n LYS 217 N -4.49 0.67 0.23 0.04 3.00 -0.45 -3.78 118.16 113.38 1ml6 n LYS 217 Ca 0.02 0.16 0.06 0.00 -0.00 0.00 0.00 58.31 58.55 1ml6 n LYS 217 Cb 0.21 -1.65 0.54 0.00 0.00 0.00 0.00 35.03 34.13 1ml6 n LYS 217 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1ml6 h VAL 218 N 0.01 1.09 -3.53 3.15 2.07 -0.34 -3.44 116.25 115.26 1ml6 h VAL 218 Ca -0.44 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1ml6 h VAL 218 Cb 2.09 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1ml6 h VAL 218 CO 0.04 0.13 0.00 0.49 0.02 0.00 0.00 177.57 178.25 1ml6 n PHE 219 N -4.39 0.00 0.39 1.57 3.72 0.01 -4.57 117.46 114.19 1ml6 n PHE 219 Ca -0.03 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.42 1ml6 n PHE 219 Cb 0.20 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 38.92 1ml6 n PHE 219 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1ml6 n LYS 220 N 0.00 2.48 0.00 -1.08 4.76 -1.26 -4.78 118.16 118.27 1ml6 n LYS 220 Ca 0.00 -1.41 0.03 0.00 -2.87 0.00 0.00 58.31 54.06 1ml6 n LYS 220 Cb 0.00 -1.65 0.18 0.00 -1.84 0.00 0.00 35.03 31.72 1ml6 n LYS 220 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22