#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ndl h ALA 3 N 0.00 0.67 0.00 0.00 0.00 -1.99 -3.24 119.26 114.70 1ndl h ALA 3 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ndl h ALA 3 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ndl h ALA 3 CO 0.00 0.12 -0.18 0.09 0.00 0.00 0.00 179.25 179.27 1ndl n ASN 4 N -2.85 0.22 -1.03 0.00 5.03 -1.26 -3.37 115.26 112.00 1ndl n ASN 4 Ca 0.00 0.24 0.12 0.00 0.87 0.00 0.00 54.58 55.82 1ndl n ASN 4 Cb 0.58 -0.24 0.17 0.00 -1.02 0.00 0.00 39.78 39.27 1ndl n ASN 4 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1ndl n LYS 5 N -1.54 2.38 -1.75 3.52 5.02 -1.22 -2.94 118.16 121.63 1ndl n LYS 5 Ca 0.06 -2.05 -0.40 0.00 -2.02 0.00 0.00 58.31 53.91 1ndl n LYS 5 Cb 0.34 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.89 1ndl n LYS 5 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ndl n GLU 6 N 1.36 2.08 -4.28 1.97 2.13 -1.22 -4.72 120.64 117.96 1ndl n GLU 6 Ca 0.17 0.74 -0.19 0.00 0.66 0.00 0.00 57.16 58.54 1ndl n GLU 6 Cb 0.59 -2.58 -0.11 0.00 0.27 0.00 0.00 31.44 29.61 1ndl n GLU 6 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ndl s ARG 7 N -2.51 1.14 0.05 5.31 0.52 -1.26 -0.79 118.95 121.41 1ndl s ARG 7 Ca 0.63 -1.34 -0.02 0.00 -0.52 0.00 0.00 55.73 54.48 1ndl s ARG 7 Cb -0.45 -1.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.94 1ndl s ARG 7 CO 0.56 0.20 -0.01 -0.08 0.02 0.00 0.00 175.30 175.99 1ndl s THR 8 N -2.28 0.20 -0.21 0.02 -1.32 -0.18 -4.70 115.64 107.18 1ndl s THR 8 Ca 0.13 -1.68 -0.05 0.00 -1.21 0.00 0.00 61.69 58.88 1ndl s THR 8 Cb -0.04 -1.41 -0.02 0.00 -1.51 0.00 0.00 72.50 69.51 1ndl s THR 8 CO 0.04 -0.93 -0.01 0.12 -2.21 0.00 0.00 174.62 171.64 1ndl s PHE 9 N -3.74 3.02 -0.05 9.09 5.36 -1.26 -2.15 117.98 128.26 1ndl s PHE 9 Ca 0.05 -0.55 0.06 0.00 -0.96 0.00 0.00 56.93 55.53 1ndl s PHE 9 Cb 0.06 -2.09 -0.01 0.00 -0.34 0.00 0.00 43.02 40.64 1ndl s PHE 9 CO -0.09 -0.31 -0.23 0.42 -1.46 0.00 0.00 175.22 173.55 1ndl s ILE 10 N 1.13 1.89 -0.02 3.12 1.09 -0.64 -0.24 121.20 127.52 1ndl s ILE 10 Ca 0.02 -0.98 0.00 0.00 -1.10 0.00 0.00 60.65 58.59 1ndl s ILE 10 Cb -0.14 -1.59 0.02 0.00 -1.06 0.00 0.00 42.46 39.68 1ndl s ILE 10 CO 0.01 0.53 0.00 -0.32 -0.10 0.00 0.00 174.94 175.06 1ndl s MET 11 N -0.21 0.19 -0.16 2.79 1.75 0.66 0.23 119.30 124.55 1ndl s MET 11 Ca -0.01 0.06 -0.24 0.00 -1.25 0.00 0.00 55.69 54.25 1ndl s MET 11 Cb -0.12 -0.34 -0.02 0.00 2.84 0.00 0.00 34.83 37.19 1ndl s MET 11 CO 0.02 -0.09 0.78 0.08 -0.65 0.00 0.00 175.02 175.17 1ndl s VAL 12 N 0.71 4.92 0.86 10.11 1.01 -0.51 -1.17 120.40 136.34 1ndl s VAL 12 Ca -0.07 1.54 -0.12 0.00 0.00 0.00 0.00 61.98 63.33 1ndl s VAL 12 Cb -0.10 -4.09 0.11 0.00 0.00 0.00 0.00 36.38 32.30 1ndl s VAL 12 CO -0.01 0.07 1.15 -0.54 0.00 0.00 0.00 175.10 175.76 1ndl s LYS 13 N 1.93 1.57 0.39 2.72 1.02 0.74 -1.80 119.74 126.32 1ndl s LYS 13 Ca 0.37 0.25 0.14 0.00 0.02 0.00 0.00 55.97 56.75 1ndl s LYS 13 Cb -0.17 -1.89 0.98 0.00 -0.52 0.00 0.00 37.83 36.23 1ndl s LYS 13 CO 0.13 -1.89 1.86 -1.35 -0.92 0.00 0.00 175.35 173.18 1ndl h PRO 14 N -1.28 0.50 0.00 -1.68 0.11 -1.86 -0.90 132.00 126.90 1ndl h PRO 14 Ca -0.48 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1ndl h PRO 14 Cb 1.32 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1ndl h PRO 14 CO 0.63 0.33 -0.25 0.38 -0.21 0.00 0.00 178.00 178.89 1ndl h ASP 15 N 0.51 0.00 -0.09 -2.05 2.03 -1.88 -2.13 116.42 112.80 1ndl h ASP 15 Ca 0.46 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.52 1ndl h ASP 15 Cb 0.98 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.49 1ndl h ASP 15 CO -0.19 0.25 -0.85 1.23 -1.03 0.00 0.00 179.24 178.64 1ndl h GLY 16 N 2.14 0.84 0.69 7.15 0.00 -1.33 -2.07 103.07 110.49 1ndl h GLY 16 Ca -0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 47.33 46.05 1ndl h GLY 16 CO 0.03 1.12 -0.02 -2.08 0.00 0.00 0.00 176.54 175.60 1ndl h VAL 17 N 0.50 1.29 -0.85 4.60 2.07 -1.39 -1.22 116.25 121.25 1ndl h VAL 17 Ca -0.07 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.57 1ndl h VAL 17 Cb 1.49 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 32.98 1ndl h VAL 17 CO 0.17 0.26 0.53 1.56 0.02 0.00 0.00 177.57 180.11 1ndl h GLN 18 N -0.21 0.97 -0.50 1.57 1.08 -1.43 -2.88 115.11 113.71 1ndl h GLN 18 Ca 0.02 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1ndl h GLN 18 Cb 0.41 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1ndl h GLN 18 CO 0.01 0.64 0.00 0.54 -0.95 0.00 0.00 178.83 179.07 1ndl n ARG 19 N -4.60 2.27 -3.20 1.46 1.74 -0.78 -4.98 116.66 108.57 1ndl n ARG 19 Ca 0.11 -1.65 -0.16 0.00 -0.77 0.00 0.00 57.85 55.39 1ndl n ARG 19 Cb 0.13 -1.46 0.06 0.00 -1.02 0.00 0.00 32.46 30.17 1ndl n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ndl n GLY 20 N 1.05 -0.11 1.18 -0.13 0.00 -1.09 -4.98 105.19 101.11 1ndl n GLY 20 Ca 0.15 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1ndl n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ndl n LEU 21 N -3.56 4.08 0.12 0.99 4.77 -0.47 -4.66 117.00 118.28 1ndl n LEU 21 Ca -0.05 -2.45 -0.13 0.00 -0.03 0.00 0.00 56.01 53.35 1ndl n LEU 21 Cb 0.56 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 1ndl n LEU 21 CO 0.45 0.77 0.55 0.58 -1.33 0.00 0.00 177.39 178.40 1ndl h VAL 22 N 3.05 0.79 -0.30 4.08 2.07 -1.90 -1.88 116.25 122.16 1ndl h VAL 22 Ca 0.00 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1ndl h VAL 22 Cb 1.26 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1ndl h VAL 22 CO 0.17 0.14 0.09 1.23 0.02 0.00 0.00 177.57 179.22 1ndl h GLY 23 N -0.72 0.36 0.87 2.17 0.00 -1.97 -2.16 103.07 101.63 1ndl h GLY 23 Ca -0.03 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.27 1ndl h GLY 23 CO 0.06 0.02 0.50 0.50 0.00 0.00 0.00 176.54 177.62 1ndl h LYS 24 N 0.22 0.95 -0.02 4.80 1.57 -1.86 -0.35 116.57 121.89 1ndl h LYS 24 Ca 0.13 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1ndl h LYS 24 Cb 0.11 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1ndl h LYS 24 CO -0.14 0.63 -0.00 0.82 -0.57 0.00 0.00 179.45 180.18 1ndl h ILE 25 N 0.97 1.27 -0.17 1.86 2.04 -1.09 -2.91 117.51 119.48 1ndl h ILE 25 Ca 0.31 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.42 1ndl h ILE 25 Cb 0.01 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1ndl h ILE 25 CO -0.11 0.21 -0.12 0.40 0.00 0.00 0.00 178.15 178.53 1ndl h ILE 26 N -0.30 0.65 -1.03 -0.67 2.04 -1.13 -2.25 117.51 114.82 1ndl h ILE 26 Ca 0.00 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.13 1ndl h ILE 26 Cb 0.34 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 36.98 1ndl h ILE 26 CO 0.00 0.00 0.67 -0.08 0.00 0.00 0.00 178.15 178.74 1ndl h GLU 27 N -0.12 0.39 -0.35 2.37 4.81 -1.05 0.57 114.58 121.20 1ndl h GLU 27 Ca 0.10 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1ndl h GLU 27 Cb 0.27 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1ndl h GLU 27 CO -0.24 0.26 -0.02 0.00 -0.73 0.00 0.00 179.01 178.27 1ndl h ARG 28 N 0.40 0.56 0.11 1.92 3.08 -1.20 -2.08 114.38 117.17 1ndl h ARG 28 Ca 0.59 -0.13 -0.29 0.00 0.07 0.00 0.00 59.98 60.22 1ndl h ARG 28 Cb 1.48 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 1ndl h ARG 28 CO -0.29 0.60 -1.38 0.74 -1.07 0.00 0.00 179.97 178.56 1ndl h PHE 29 N 0.53 0.42 0.84 3.04 -1.00 -1.07 -3.20 116.94 116.50 1ndl h PHE 29 Ca 0.11 -0.31 -0.04 0.00 2.81 0.00 0.00 57.97 60.54 1ndl h PHE 29 Cb 0.37 -0.02 0.01 0.00 3.61 0.00 0.00 35.95 39.92 1ndl h PHE 29 CO 0.01 1.30 -0.40 0.93 -1.61 0.00 0.00 178.31 178.54 1ndl h GLU 30 N 0.06 -1.08 -1.08 1.51 5.08 -0.68 -2.61 114.58 115.78 1ndl h GLU 30 Ca -0.18 0.07 0.30 0.00 -1.00 0.00 0.00 59.36 58.55 1ndl h GLU 30 Cb 1.98 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 31.42 1ndl h GLU 30 CO 0.17 -0.71 0.75 1.96 -1.00 0.00 0.00 179.01 180.18 1ndl h GLN 31 N -1.22 0.13 0.00 2.33 4.20 -1.54 -1.15 115.11 117.86 1ndl h GLN 31 Ca -0.12 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1ndl h GLN 31 Cb 0.87 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 1ndl h GLN 31 CO 0.19 0.09 -0.14 -0.22 -0.67 0.00 0.00 178.83 178.08 1ndl h LYS 32 N 0.14 0.00 0.00 1.46 1.63 -1.53 -3.47 116.57 114.79 1ndl h LYS 32 Ca 0.55 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.35 1ndl h LYS 32 Cb 1.89 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.52 1ndl h LYS 32 CO -0.10 0.14 0.00 0.41 -3.45 0.00 0.00 179.45 176.45 1ndl n GLY 33 N 0.72 0.76 3.81 5.01 0.00 -0.43 -5.10 105.19 109.96 1ndl n GLY 33 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1ndl n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ndl s PHE 34 N -2.00 3.00 -0.18 1.61 0.08 -0.99 -5.02 117.98 114.48 1ndl s PHE 34 Ca 0.00 1.45 -0.03 0.00 0.12 0.00 0.00 56.93 58.47 1ndl s PHE 34 Cb 0.00 -2.92 -0.02 0.00 -0.57 0.00 0.00 43.02 39.52 1ndl s PHE 34 CO 0.00 -1.35 -0.06 0.21 -0.10 0.00 0.00 175.22 173.92 1ndl s LYS 35 N -5.00 3.48 -0.18 0.44 2.20 -0.63 -4.63 119.74 115.42 1ndl s LYS 35 Ca 0.59 -0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 55.30 1ndl s LYS 35 Cb -0.15 -2.89 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 1ndl s LYS 35 CO 0.55 0.04 1.40 -1.17 -0.36 0.00 0.00 175.35 175.81 1ndl s LEU 36 N 0.86 4.09 -0.22 5.43 2.96 -1.26 0.27 118.68 130.82 1ndl s LEU 36 Ca -0.01 1.67 0.10 0.00 -0.22 0.00 0.00 54.13 55.66 1ndl s LEU 36 Cb -0.15 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.81 1ndl s LEU 36 CO 0.01 -0.94 -0.07 0.52 -1.32 0.00 0.00 176.35 174.55 1ndl n VAL 37 N 5.75 1.35 -3.60 1.68 0.31 0.24 -4.95 118.33 119.11 1ndl n VAL 37 Ca 0.15 -0.67 -0.16 0.00 -0.01 0.00 0.00 64.34 63.65 1ndl n VAL 37 Cb 0.45 -0.92 -0.07 0.00 -0.91 0.00 0.00 33.84 32.40 1ndl n VAL 37 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ndl s ALA 38 N -2.47 -1.37 -0.28 3.52 0.00 -1.16 -0.44 121.76 119.56 1ndl s ALA 38 Ca -0.21 0.85 -0.25 0.00 0.00 0.00 0.00 51.96 52.35 1ndl s ALA 38 Cb 0.07 0.12 0.09 0.00 0.00 0.00 0.00 23.12 23.41 1ndl s ALA 38 CO 0.67 -0.37 0.86 -1.17 0.00 0.00 0.00 175.76 175.75 1ndl s LEU 39 N -1.44 -0.62 0.12 0.00 2.96 -1.26 -1.82 118.68 116.61 1ndl s LEU 39 Ca -0.10 1.19 -0.25 0.00 -0.22 0.00 0.00 54.13 54.76 1ndl s LEU 39 Cb -0.02 2.21 0.07 0.00 0.50 0.00 0.00 46.19 48.95 1ndl s LEU 39 CO 0.05 -0.21 0.64 -1.59 -1.32 0.00 0.00 176.35 173.92 1ndl s LYS 40 N 0.36 1.21 -0.11 1.98 -2.85 -1.16 -5.05 119.74 114.12 1ndl s LYS 40 Ca 0.01 -0.36 -0.00 0.00 -1.00 0.00 0.00 55.97 54.62 1ndl s LYS 40 Cb -0.05 0.56 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 1ndl s LYS 40 CO -0.03 -0.51 -0.10 0.12 0.10 0.00 0.00 175.35 174.94 1ndl s PHE 41 N -3.35 2.88 0.26 1.78 5.36 -1.26 -3.39 117.98 120.26 1ndl s PHE 41 Ca -0.00 -0.32 -0.21 0.00 -0.96 0.00 0.00 56.93 55.43 1ndl s PHE 41 Cb -0.01 -1.81 0.05 0.00 -0.34 0.00 0.00 43.02 40.91 1ndl s PHE 41 CO -0.10 0.02 0.84 -0.08 -1.46 0.00 0.00 175.22 174.45 1ndl s THR 42 N -0.09 0.00 -0.31 0.12 -1.32 -0.56 -5.00 115.64 108.48 1ndl s THR 42 Ca -0.00 -0.86 -0.07 0.00 -1.21 0.00 0.00 61.69 59.55 1ndl s THR 42 Cb -0.13 -2.32 0.02 0.00 -1.51 0.00 0.00 72.50 68.56 1ndl s THR 42 CO 0.03 0.00 0.09 0.86 -2.21 0.00 0.00 174.62 173.39 1ndl s TRP 43 N -3.15 3.19 0.21 9.09 -0.11 -1.26 -0.34 118.94 126.56 1ndl s TRP 43 Ca 0.14 -1.16 -0.30 0.00 1.22 0.00 0.00 56.10 56.00 1ndl s TRP 43 Cb -0.04 -2.26 -0.08 0.00 -1.50 0.00 0.00 33.47 29.58 1ndl s TRP 43 CO 0.07 -0.64 1.15 0.00 -4.62 0.00 0.00 176.95 172.91 1ndl s ALA 44 N 1.46 3.41 0.33 5.86 0.00 -1.26 -5.01 121.76 126.55 1ndl s ALA 44 Ca 0.01 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 52.69 1ndl s ALA 44 Cb -0.18 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 1ndl s ALA 44 CO 0.02 -0.29 0.82 -1.54 0.00 0.00 0.00 175.76 174.77 1ndl s SER 45 N -0.16 6.94 0.33 0.00 1.04 -1.26 -4.66 113.70 115.94 1ndl s SER 45 Ca 0.50 1.49 0.05 0.00 0.48 0.00 0.00 55.95 58.47 1ndl s SER 45 Cb -0.32 -2.45 0.69 0.00 0.10 0.00 0.00 66.02 64.04 1ndl s SER 45 CO 0.38 -0.19 1.90 0.11 0.98 0.00 0.00 173.24 176.42 1ndl h LYS 46 N 2.49 0.81 -0.78 4.02 1.57 -1.95 0.42 116.57 123.15 1ndl h LYS 46 Ca -0.48 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.29 1ndl h LYS 46 Cb 1.18 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.26 1ndl h LYS 46 CO 0.64 0.54 0.50 1.49 -0.57 0.00 0.00 179.45 182.04 1ndl h GLU 47 N 0.84 0.93 -0.08 3.15 4.81 -1.99 0.23 114.58 122.46 1ndl h GLU 47 Ca 0.40 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 59.37 1ndl h GLU 47 Cb 0.43 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.61 1ndl h GLU 47 CO -0.17 0.62 -0.76 1.25 -0.73 0.00 0.00 179.01 179.22 1ndl h LEU 48 N 0.96 0.81 -1.44 1.64 5.85 -0.72 -3.20 115.31 119.20 1ndl h LEU 48 Ca 0.32 -0.68 0.01 0.00 0.84 0.00 0.00 57.88 58.37 1ndl h LEU 48 Cb 0.03 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1ndl h LEU 48 CO -0.12 1.37 0.39 -0.07 -0.34 0.00 0.00 178.44 179.67 1ndl h LEU 49 N 0.32 0.65 -1.17 2.25 3.38 0.04 -1.57 115.31 119.21 1ndl h LEU 49 Ca -0.07 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1ndl h LEU 49 Cb 1.41 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1ndl h LEU 49 CO 0.15 0.46 -0.39 -0.33 0.09 0.00 0.00 178.44 178.43 1ndl h GLU 50 N 0.76 0.00 0.02 1.13 5.08 -0.60 -0.14 114.58 120.83 1ndl h GLU 50 Ca 0.22 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.44 1ndl h GLU 50 Cb -0.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.22 1ndl h GLU 50 CO -0.05 0.39 -0.58 0.87 -1.00 0.00 0.00 179.01 178.63 1ndl h LYS 51 N 0.00 0.36 -0.02 2.33 1.79 -1.40 -1.45 116.57 118.19 1ndl h LYS 51 Ca -0.00 -0.41 0.01 0.00 -2.18 0.00 0.00 60.65 58.06 1ndl h LYS 51 Cb 0.76 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1ndl h LYS 51 CO 0.05 1.10 -0.04 1.25 -1.08 0.00 0.00 179.45 180.73 1ndl h HIS 52 N -0.19 -0.10 -0.66 -1.35 2.76 -1.19 -3.03 115.15 111.39 1ndl h HIS 52 Ca -0.08 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.90 1ndl h HIS 52 Cb 1.31 0.05 -0.12 0.00 1.55 0.00 0.00 27.41 30.20 1ndl h HIS 52 CO 0.16 -0.07 0.26 0.66 -1.30 0.00 0.00 177.93 177.64 1ndl n TYR 53 N -5.15 2.19 -0.23 5.26 4.01 -0.08 -4.75 117.16 118.41 1ndl n TYR 53 Ca -0.06 -1.09 0.28 0.00 -0.16 0.00 0.00 57.90 56.87 1ndl n TYR 53 Cb 0.08 -0.64 0.69 0.00 -0.31 0.00 0.00 39.34 39.16 1ndl n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ndl h ALA 54 N 2.57 2.78 0.00 -0.72 0.00 -1.13 -1.32 119.26 121.44 1ndl h ALA 54 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ndl h ALA 54 Cb 2.16 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.01 1ndl h ALA 54 CO 0.67 -1.07 0.00 -0.44 0.00 0.00 0.00 179.25 178.41 1ndl h ASP 55 N 0.08 0.00 -0.48 0.00 5.19 -1.87 -2.87 116.42 116.48 1ndl h ASP 55 Ca 0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.89 1ndl h ASP 55 Cb 1.75 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.26 1ndl h ASP 55 CO -0.05 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.25 1ndl n LEU 56 N -2.77 3.39 -0.13 1.55 4.77 -0.50 -4.66 117.00 118.65 1ndl n LEU 56 Ca 0.01 -1.78 -0.05 0.00 -0.03 0.00 0.00 56.01 54.15 1ndl n LEU 56 Cb 0.25 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1ndl n LEU 56 CO 0.23 0.80 0.69 0.28 -1.33 0.00 0.00 177.39 178.07 1ndl h SER 57 N 3.57 -0.80 -0.14 -1.43 0.02 -1.61 -1.99 113.55 111.16 1ndl h SER 57 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1ndl h SER 57 Cb 0.88 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1ndl h SER 57 CO 0.00 -0.26 0.00 0.00 -1.14 0.00 0.00 176.83 175.43 1ndl n ALA 58 N -2.94 2.53 -2.52 3.77 0.00 -1.26 -4.87 120.51 115.21 1ndl n ALA 58 Ca 0.03 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 1ndl n ALA 58 Cb 0.31 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 1ndl n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ndl s ARG 59 N -1.82 3.66 0.79 0.00 1.81 -0.75 -5.07 118.95 117.58 1ndl s ARG 59 Ca 0.31 0.03 -0.14 0.00 -1.72 0.00 0.00 55.73 54.21 1ndl s ARG 59 Cb 0.16 -2.67 0.07 0.00 -0.45 0.00 0.00 34.95 32.06 1ndl s ARG 59 CO 0.25 0.26 1.22 -1.25 -0.68 0.00 0.00 175.30 175.10 1ndl s PRO 60 N -3.32 1.71 -0.68 3.54 0.04 -1.26 -3.43 135.00 131.60 1ndl s PRO 60 Ca 0.44 1.81 -0.02 0.00 0.04 0.00 0.00 61.00 63.27 1ndl s PRO 60 Cb -0.11 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.67 1ndl s PRO 60 CO 0.28 -2.18 0.09 1.19 0.04 0.00 0.00 177.00 176.42 1ndl n PHE 61 N -3.16 -1.70 -0.05 0.56 3.72 -1.26 -4.87 117.46 110.70 1ndl n PHE 61 Ca 0.14 0.09 -0.08 0.00 -0.05 0.00 0.00 57.45 57.55 1ndl n PHE 61 Cb 0.50 -2.01 -0.02 0.00 -0.94 0.00 0.00 39.48 37.01 1ndl n PHE 61 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1ndl h PHE 62 N -0.16 -0.08 -0.05 1.38 3.57 -1.81 -1.76 116.94 118.03 1ndl h PHE 62 Ca -0.20 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.33 1ndl h PHE 62 Cb 1.14 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 1ndl h PHE 62 CO 0.78 -0.08 0.07 -1.00 -2.23 0.00 0.00 178.31 175.85 1ndl h PRO 63 N 0.02 0.00 -0.11 6.41 0.13 -1.90 -1.50 132.00 135.06 1ndl h PRO 63 Ca 0.11 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.03 1ndl h PRO 63 Cb 0.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.29 1ndl h PRO 63 CO -0.22 0.00 -0.77 0.78 -0.23 0.00 0.00 178.00 177.56 1ndl h GLY 64 N 0.00 0.66 0.68 1.56 0.00 -1.72 -2.55 103.07 101.71 1ndl h GLY 64 Ca 0.02 -0.95 -0.01 0.00 0.00 0.00 0.00 47.33 46.40 1ndl h GLY 64 CO -0.00 0.85 -0.00 -2.00 0.00 0.00 0.00 176.54 175.38 1ndl h LEU 65 N 0.41 0.05 -0.63 3.11 5.85 -1.20 -0.32 115.31 122.57 1ndl h LEU 65 Ca -0.05 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.37 1ndl h LEU 65 Cb 1.38 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 1ndl h LEU 65 CO 0.15 0.38 0.38 0.58 -0.34 0.00 0.00 178.44 179.59 1ndl h VAL 66 N -0.27 1.07 -0.50 1.05 2.07 -1.48 0.76 116.25 118.95 1ndl h VAL 66 Ca 0.01 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1ndl h VAL 66 Cb 0.35 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1ndl h VAL 66 CO 0.00 0.14 0.26 0.78 0.02 0.00 0.00 177.57 178.77 1ndl h ASN 67 N 0.75 0.63 -0.11 0.57 4.21 -1.44 -1.02 115.58 119.18 1ndl h ASN 67 Ca 0.26 -0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.64 1ndl h ASN 67 Cb 0.03 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 37.07 1ndl h ASN 67 CO -0.11 0.56 0.02 0.22 -1.29 0.00 0.00 177.43 176.83 1ndl h TYR 68 N 0.66 0.20 0.00 1.19 3.20 -0.48 -2.45 116.97 119.28 1ndl h TYR 68 Ca 0.17 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1ndl h TYR 68 Cb 0.08 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 1ndl h TYR 68 CO -0.01 0.38 -0.02 0.52 -1.64 0.00 0.00 178.16 177.38 1ndl h MET 69 N -0.04 0.00 -0.13 1.82 2.86 -0.67 -0.58 114.93 118.19 1ndl h MET 69 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1ndl h MET 69 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1ndl h MET 69 CO 0.00 0.02 0.00 -1.71 1.06 0.00 0.00 176.91 176.28 1ndl n ASN 70 N -3.27 2.34 -0.03 1.22 2.85 -0.40 -4.23 115.26 113.74 1ndl n ASN 70 Ca -0.02 -1.79 0.13 0.00 -0.11 0.00 0.00 54.58 52.80 1ndl n ASN 70 Cb 0.15 -0.07 0.45 0.00 1.24 0.00 0.00 39.78 41.55 1ndl n ASN 70 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1ndl n SER 71 N 0.80 0.33 -3.75 1.20 3.41 -0.22 -4.92 113.62 110.46 1ndl n SER 71 Ca 0.17 -0.06 -0.08 0.00 -0.26 0.00 0.00 58.87 58.65 1ndl n SER 71 Cb 0.47 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 1ndl n SER 71 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ndl s GLY 72 N -2.89 -0.23 0.71 5.00 0.00 -1.26 -5.12 107.32 103.54 1ndl s GLY 72 Ca 0.16 -0.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.70 1ndl s GLY 72 CO 0.59 -0.02 1.08 2.56 0.00 0.00 0.00 173.10 177.32 1ndl s PRO 73 N -3.80 2.63 0.23 2.90 0.04 -1.26 -4.60 135.00 131.13 1ndl s PRO 73 Ca 0.09 1.17 0.04 0.00 0.04 0.00 0.00 61.00 62.34 1ndl s PRO 73 Cb -0.04 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1ndl s PRO 73 CO 0.02 -1.36 -0.03 0.14 0.04 0.00 0.00 177.00 175.82 1ndl s VAL 74 N -2.77 1.16 -0.58 -0.36 -7.23 0.54 -3.88 120.40 107.28 1ndl s VAL 74 Ca 0.62 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.78 1ndl s VAL 74 Cb -0.17 -2.29 0.16 0.00 0.56 0.00 0.00 36.38 34.64 1ndl s VAL 74 CO 0.51 -0.38 0.40 -0.69 -0.31 0.00 0.00 175.10 174.63 1ndl s VAL 75 N -3.34 2.01 0.42 1.32 1.01 -0.74 -1.49 120.40 119.58 1ndl s VAL 75 Ca 0.27 -3.56 -0.25 0.00 0.00 0.00 0.00 61.98 58.44 1ndl s VAL 75 Cb 0.05 -2.34 -0.08 0.00 0.00 0.00 0.00 36.38 34.00 1ndl s VAL 75 CO 0.08 -1.04 1.21 -2.16 0.00 0.00 0.00 175.10 173.19 1ndl s PRO 76 N -0.73 3.95 0.10 2.72 0.04 -1.22 -1.42 135.00 138.44 1ndl s PRO 76 Ca 0.25 1.91 -0.10 0.00 0.04 0.00 0.00 61.00 63.10 1ndl s PRO 76 Cb -0.07 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.85 1ndl s PRO 76 CO -0.14 -0.43 0.24 -1.64 0.04 0.00 0.00 177.00 175.07 1ndl s MET 77 N -2.37 0.92 -0.07 4.56 -1.94 0.14 -2.96 119.30 117.57 1ndl s MET 77 Ca 0.59 -0.93 0.00 0.00 -1.71 0.00 0.00 55.69 53.64 1ndl s MET 77 Cb -0.32 0.37 0.02 0.00 2.01 0.00 0.00 34.83 36.91 1ndl s MET 77 CO 0.41 -0.31 -0.05 0.08 -0.01 0.00 0.00 175.02 175.13 1ndl s VAL 78 N -3.86 0.71 -0.02 -6.03 1.01 -0.76 -1.63 120.40 109.83 1ndl s VAL 78 Ca 0.06 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.94 1ndl s VAL 78 Cb 0.04 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1ndl s VAL 78 CO -0.10 0.29 -0.18 0.26 0.00 0.00 0.00 175.10 175.37 1ndl s TRP 79 N 1.39 2.57 0.06 5.22 0.52 -0.91 -0.59 118.94 127.20 1ndl s TRP 79 Ca -0.03 -0.25 0.09 0.00 0.02 0.00 0.00 56.10 55.94 1ndl s TRP 79 Cb -0.13 -1.56 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 1ndl s TRP 79 CO -0.03 0.15 -0.26 -2.00 0.02 0.00 0.00 176.95 174.82 1ndl s GLU 80 N -0.87 1.72 0.00 4.98 2.12 0.14 -1.01 118.70 125.78 1ndl s GLU 80 Ca 0.12 -1.13 0.00 0.00 0.36 0.00 0.00 54.97 54.32 1ndl s GLU 80 Cb -0.10 -1.94 0.00 0.00 0.26 0.00 0.00 34.13 32.35 1ndl s GLU 80 CO 0.01 0.50 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 1ndl n GLY 81 N 1.67 1.93 3.67 -1.50 0.00 0.03 -1.60 105.19 109.40 1ndl n GLY 81 Ca -0.17 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1ndl n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ndl s LEU 82 N 0.00 4.38 -1.62 0.99 2.96 -1.24 -2.53 118.68 121.62 1ndl s LEU 82 Ca 0.00 2.52 -0.16 0.00 -0.22 0.00 0.00 54.13 56.27 1ndl s LEU 82 Cb 0.00 -3.55 0.12 0.00 0.50 0.00 0.00 46.19 43.26 1ndl s LEU 82 CO 0.00 -0.96 0.88 0.59 -1.32 0.00 0.00 176.35 175.54 1ndl n ASN 83 N 6.54 -3.97 0.00 3.68 3.02 -1.25 -4.88 115.26 118.40 1ndl n ASN 83 Ca 0.18 -0.90 -0.01 0.00 -0.03 0.00 0.00 54.58 53.82 1ndl n ASN 83 Cb 0.41 -3.30 0.27 0.00 -0.61 0.00 0.00 39.78 36.55 1ndl n ASN 83 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1ndl h VAL 84 N -1.79 1.21 0.75 2.41 3.04 -1.79 0.24 116.25 120.32 1ndl h VAL 84 Ca -0.59 -0.89 -0.03 0.00 -1.01 0.00 0.00 66.70 64.18 1ndl h VAL 84 Cb 1.38 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 31.69 1ndl h VAL 84 CO 0.73 0.30 -0.45 0.58 -1.01 0.00 0.00 177.57 177.71 1ndl h VAL 85 N 0.49 0.00 -0.02 1.51 2.07 -1.86 0.43 116.25 118.86 1ndl h VAL 85 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 1ndl h VAL 85 Cb 0.41 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1ndl h VAL 85 CO 0.02 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.72 1ndl h LYS 86 N -1.12 0.03 -0.77 1.57 1.57 -1.88 -1.28 116.57 114.68 1ndl h LYS 86 Ca -0.10 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1ndl h LYS 86 Cb 0.90 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 1ndl h LYS 86 CO 0.10 0.25 0.45 1.15 -0.57 0.00 0.00 179.45 180.84 1ndl h THR 87 N -0.20 1.22 -0.58 -0.16 2.02 -0.51 -1.88 112.91 112.81 1ndl h THR 87 Ca 0.01 -0.50 0.07 0.00 0.77 0.00 0.00 66.41 66.76 1ndl h THR 87 Cb 0.24 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 66.75 1ndl h THR 87 CO 0.00 0.23 0.26 1.23 0.37 0.00 0.00 175.52 177.61 1ndl h GLY 88 N 1.05 0.82 1.00 2.16 0.00 -0.05 -0.76 103.07 107.31 1ndl h GLY 88 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1ndl h GLY 88 CO -0.05 0.05 0.42 3.21 0.00 0.00 0.00 176.54 180.17 1ndl h ARG 89 N 0.48 0.89 -0.71 4.80 3.08 -0.60 -1.24 114.38 121.08 1ndl h ARG 89 Ca 0.28 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1ndl h ARG 89 Cb 0.26 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1ndl h ARG 89 CO -0.23 0.61 0.46 0.37 -1.07 0.00 0.00 179.97 180.11 1ndl h GLN 90 N 0.90 0.95 -0.40 0.04 4.15 -0.49 -1.97 115.11 118.29 1ndl h GLN 90 Ca 0.24 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.53 1ndl h GLN 90 Cb -0.07 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.39 1ndl h GLN 90 CO -0.05 0.64 -0.03 0.52 -1.93 0.00 0.00 178.83 177.98 1ndl h MET 91 N 0.97 0.66 -0.31 1.69 2.86 -0.77 -2.83 114.93 117.20 1ndl h MET 91 Ca 0.26 -0.17 -0.16 0.00 -2.06 0.00 0.00 59.70 57.57 1ndl h MET 91 Cb -0.10 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 1ndl h MET 91 CO -0.05 0.70 -0.43 -0.07 1.06 0.00 0.00 176.91 178.12 1ndl h LEU 92 N 0.62 0.85 0.00 1.22 3.38 -0.83 0.13 115.31 120.68 1ndl h LEU 92 Ca 0.12 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1ndl h LEU 92 Cb 0.43 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ndl h LEU 92 CO 0.02 1.15 0.00 0.61 0.09 0.00 0.00 178.44 180.31 1ndl n GLY 93 N 0.13 -2.04 3.77 0.83 0.00 -0.78 -0.56 105.19 106.53 1ndl n GLY 93 Ca -0.02 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 1ndl n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ndl s ALA 94 N -1.77 3.00 0.24 4.61 0.00 -1.26 -4.81 121.76 121.77 1ndl s ALA 94 Ca 0.00 1.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.96 1ndl s ALA 94 Cb 0.00 -3.43 0.42 0.00 0.00 0.00 0.00 23.12 20.12 1ndl s ALA 94 CO 0.00 -0.78 1.75 1.15 0.00 0.00 0.00 175.76 177.88 1ndl h THR 95 N 1.93 0.74 -3.40 0.00 2.02 -1.95 -3.34 112.91 108.91 1ndl h THR 95 Ca -0.50 -0.18 -0.60 0.00 0.77 0.00 0.00 66.41 65.91 1ndl h THR 95 Cb 1.25 0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 67.73 1ndl h THR 95 CO 0.60 0.10 0.49 0.21 0.37 0.00 0.00 175.52 177.28 1ndl s ASN 96 N -5.41 6.73 0.47 4.18 3.84 -1.26 -4.81 114.94 118.67 1ndl s ASN 96 Ca -0.12 0.77 0.21 0.00 0.21 0.00 0.00 52.86 53.92 1ndl s ASN 96 Cb 0.20 -2.43 1.22 0.00 -0.55 0.00 0.00 41.25 39.68 1ndl s ASN 96 CO 0.77 -0.65 1.93 -0.65 -2.79 0.00 0.00 177.10 175.70 1ndl h PRO 97 N 8.07 0.23 0.00 0.43 0.11 -1.76 -0.68 132.00 138.40 1ndl h PRO 97 Ca -0.23 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1ndl h PRO 97 Cb 1.09 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ndl h PRO 97 CO 0.91 0.15 -0.04 0.00 -0.21 0.00 0.00 178.00 178.80 1ndl h ALA 98 N 1.65 1.70 -0.07 -0.75 0.00 -1.89 -1.75 119.26 118.14 1ndl h ALA 98 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1ndl h ALA 98 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ndl h ALA 98 CO -0.08 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 1ndl n ASP 99 N -4.16 2.88 -4.74 0.00 8.00 -0.27 -4.95 116.55 113.31 1ndl n ASP 99 Ca -0.03 -1.94 -0.41 0.00 0.71 0.00 0.00 54.79 53.12 1ndl n ASP 99 Cb 0.13 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 1ndl n ASP 99 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ndl s SER 100 N -1.93 7.51 0.18 -2.24 0.01 -0.66 -4.62 113.70 111.95 1ndl s SER 100 Ca 0.30 1.93 -0.17 0.00 1.31 0.00 0.00 55.95 59.32 1ndl s SER 100 Cb 0.20 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.76 1ndl s SER 100 CO 0.31 -0.00 0.63 -0.76 0.41 0.00 0.00 173.24 173.83 1ndl s LEU 101 N -0.60 4.35 0.22 2.44 1.02 -1.26 -4.62 118.68 120.22 1ndl s LEU 101 Ca 0.45 1.25 -0.32 0.00 0.02 0.00 0.00 54.13 55.53 1ndl s LEU 101 Cb -0.26 -3.41 -0.13 0.00 0.02 0.00 0.00 46.19 42.42 1ndl s LEU 101 CO 0.32 0.08 1.57 -2.65 0.02 0.00 0.00 176.35 175.69 1ndl n PRO 102 N 0.80 2.39 0.00 1.29 -0.02 -1.26 -1.21 135.00 136.99 1ndl n PRO 102 Ca -0.04 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1ndl n PRO 102 Cb 0.51 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1ndl n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ndl n GLY 103 N 2.92 1.41 3.88 -1.23 0.00 -1.26 -4.98 105.19 105.93 1ndl n GLY 103 Ca 0.13 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1ndl n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ndl s THR 104 N -1.60 3.86 0.07 2.61 -4.23 -0.35 -4.90 115.64 111.10 1ndl s THR 104 Ca 0.00 0.57 -0.26 0.00 -1.18 0.00 0.00 61.69 60.83 1ndl s THR 104 Cb 0.00 -3.59 -0.16 0.00 1.34 0.00 0.00 72.50 70.08 1ndl s THR 104 CO 0.00 -0.77 1.66 0.40 -0.54 0.00 0.00 174.62 175.37 1ndl h ILE 105 N -0.53 0.86 -0.10 2.99 2.04 -0.65 -1.95 117.51 120.17 1ndl h ILE 105 Ca -0.45 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 1ndl h ILE 105 Cb 1.23 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1ndl h ILE 105 CO 0.63 0.02 -0.19 0.03 0.00 0.00 0.00 178.15 178.65 1ndl h ARG 106 N -0.28 0.17 -0.39 2.37 3.08 -1.08 -1.35 114.38 116.90 1ndl h ARG 106 Ca -0.02 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 1ndl h ARG 106 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1ndl h ARG 106 CO 0.04 0.36 -0.22 0.78 -1.07 0.00 0.00 179.97 179.86 1ndl h GLY 107 N 0.79 0.84 1.24 0.04 0.00 -1.65 -2.74 103.07 101.60 1ndl h GLY 107 Ca 0.03 -0.72 -0.29 0.00 0.00 0.00 0.00 47.33 46.35 1ndl h GLY 107 CO 0.03 0.65 -1.53 -0.55 0.00 0.00 0.00 176.54 175.14 1ndl h ASP 108 N 0.68 0.21 -0.01 0.19 3.32 -1.14 -3.43 116.42 116.24 1ndl h ASP 108 Ca 0.09 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1ndl h ASP 108 Cb 0.73 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1ndl h ASP 108 CO 0.06 1.27 -0.14 0.49 -1.72 0.00 0.00 179.24 179.21 1ndl n PHE 109 N -3.32 0.00 -4.07 4.55 3.72 -0.53 -5.08 117.46 112.74 1ndl n PHE 109 Ca -0.15 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.15 1ndl n PHE 109 Cb 1.03 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.50 1ndl n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ndl n ILE 111 N -0.34 0.58 -4.07 0.00 5.41 -1.26 -4.75 119.36 114.93 1ndl n ILE 111 Ca -0.00 0.03 -0.34 0.00 1.00 0.00 0.00 62.75 63.44 1ndl n ILE 111 Cb 0.63 -1.63 -0.07 0.00 -0.71 0.00 0.00 39.64 37.87 1ndl n ILE 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1ndl s GLN 112 N -2.13 3.20 0.47 0.38 0.74 -1.26 -3.81 119.66 117.26 1ndl s GLN 112 Ca -0.08 -0.35 0.24 0.00 0.05 0.00 0.00 55.36 55.23 1ndl s GLN 112 Cb 0.03 -2.97 1.28 0.00 1.10 0.00 0.00 33.01 32.45 1ndl s GLN 112 CO 0.10 0.70 1.86 -0.24 -0.55 0.00 0.00 175.29 177.16 1ndl h VAL 113 N 3.54 0.60 -0.00 1.34 3.04 -1.95 0.06 116.25 122.88 1ndl h VAL 113 Ca -0.51 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 1ndl h VAL 113 Cb 1.20 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 1ndl h VAL 113 CO 0.61 0.04 -0.03 0.61 -1.01 0.00 0.00 177.57 177.78 1ndl n GLY 114 N -1.61 -1.25 2.45 3.17 0.00 -1.26 -3.87 105.19 102.82 1ndl n GLY 114 Ca 0.20 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1ndl n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ndl n ARG 115 N -1.26 1.06 -1.20 1.61 5.12 -0.00 -4.98 116.66 117.01 1ndl n ARG 115 Ca 0.13 -3.28 -0.28 0.00 -1.93 0.00 0.00 57.85 52.50 1ndl n ARG 115 Cb 0.26 -1.44 0.11 0.00 -1.16 0.00 0.00 32.46 30.23 1ndl n ARG 115 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ndl n ASN 116 N 0.09 5.83 0.00 0.55 6.94 -1.16 -4.53 115.26 122.98 1ndl n ASN 116 Ca 0.16 -3.58 0.00 0.00 -0.02 0.00 0.00 54.58 51.14 1ndl n ASN 116 Cb 0.75 -0.91 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 1ndl n ASN 116 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1ndl n ILE 117 N -0.84 0.00 -3.98 1.53 -5.35 -1.26 -4.75 119.36 104.71 1ndl n ILE 117 Ca 0.56 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.96 1ndl n ILE 117 Cb 1.06 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.87 1ndl n ILE 117 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1ndl s ILE 118 N 0.00 0.16 0.00 7.28 2.07 -1.26 -0.19 121.20 129.27 1ndl s ILE 118 Ca 0.00 -1.49 0.03 0.00 -1.41 0.00 0.00 60.65 57.78 1ndl s ILE 118 Cb 0.00 -1.50 -0.01 0.00 0.13 0.00 0.00 42.46 41.08 1ndl s ILE 118 CO 0.00 -0.74 -0.10 -2.28 -1.91 0.00 0.00 174.94 169.91 1ndl s HIS 119 N -3.91 0.86 -0.01 3.50 5.65 -0.32 -4.89 115.29 116.17 1ndl s HIS 119 Ca 0.08 -0.20 -0.00 0.00 0.25 0.00 0.00 55.06 55.19 1ndl s HIS 119 Cb 0.06 -0.54 0.01 0.00 -1.18 0.00 0.00 32.58 30.93 1ndl s HIS 119 CO -0.09 -0.01 0.02 0.20 -0.65 0.00 0.00 174.74 174.21 1ndl s GLY 120 N -0.42 0.03 0.53 1.59 0.00 -1.26 -0.25 107.32 107.55 1ndl s GLY 120 Ca 0.02 0.15 -0.19 0.00 0.00 0.00 0.00 44.72 44.71 1ndl s GLY 120 CO -0.00 0.30 0.50 1.44 0.00 0.00 0.00 173.10 175.35 1ndl n SER 121 N 3.52 -1.10 -0.01 1.64 7.64 0.67 -4.91 113.62 121.08 1ndl n SER 121 Ca -0.18 0.77 -0.13 0.00 1.01 0.00 0.00 58.87 60.34 1ndl n SER 121 Cb 0.56 -1.15 -0.10 0.00 -1.01 0.00 0.00 64.21 62.51 1ndl n SER 121 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1ndl h ASP 122 N 0.37 -0.04 -5.00 6.43 3.58 -1.91 -3.44 116.42 116.41 1ndl h ASP 122 Ca -0.44 -0.58 0.06 0.00 0.42 0.00 0.00 57.03 56.49 1ndl h ASP 122 Cb 1.40 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 42.40 1ndl h ASP 122 CO 0.48 0.58 0.22 0.00 -2.88 0.00 0.00 179.24 177.64 1ndl s ALA 123 N -3.69 -1.23 0.13 -0.78 0.00 -1.26 -4.93 121.76 110.00 1ndl s ALA 123 Ca -0.16 -0.26 -0.25 0.00 0.00 0.00 0.00 51.96 51.28 1ndl s ALA 123 Cb 0.00 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1ndl s ALA 123 CO 0.64 -1.02 1.63 0.28 0.00 0.00 0.00 175.76 177.29 1ndl h VAL 124 N 2.01 0.37 -0.67 0.00 2.07 -1.94 0.31 116.25 118.40 1ndl h VAL 124 Ca -0.20 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.42 1ndl h VAL 124 Cb 1.25 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 1ndl h VAL 124 CO 0.24 0.00 0.29 -0.33 0.02 0.00 0.00 177.57 177.79 1ndl h GLU 125 N -0.39 0.47 0.00 1.57 3.07 -1.98 0.30 114.58 117.63 1ndl h GLU 125 Ca 0.08 -0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 58.74 1ndl h GLU 125 Cb 0.50 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1ndl h GLU 125 CO -0.28 0.31 -0.83 0.66 -1.40 0.00 0.00 179.01 177.47 1ndl h SER 126 N 0.49 0.00 -0.74 1.42 4.64 -1.90 -2.95 113.55 114.51 1ndl h SER 126 Ca 0.34 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.66 1ndl h SER 126 Cb 0.41 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1ndl h SER 126 CO -0.30 0.83 0.49 0.00 -0.87 0.00 0.00 176.83 176.97 1ndl h ALA 127 N 1.17 0.94 -0.53 5.18 0.00 0.87 -0.48 119.26 126.41 1ndl h ALA 127 Ca -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1ndl h ALA 127 Cb 1.57 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1ndl h ALA 127 CO 0.11 0.37 0.16 1.49 0.00 0.00 0.00 179.25 181.38 1ndl h GLU 128 N 1.01 0.31 -0.22 0.00 4.57 -0.88 0.98 114.58 120.35 1ndl h GLU 128 Ca 0.27 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 58.23 1ndl h GLU 128 Cb -0.11 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1ndl h GLU 128 CO -0.06 0.21 -0.65 0.87 -1.18 0.00 0.00 179.01 178.20 1ndl h LYS 129 N 0.32 0.83 -0.30 1.92 1.57 -1.29 -3.04 116.57 116.57 1ndl h LYS 129 Ca 0.26 -0.59 -0.18 0.00 -1.87 0.00 0.00 60.65 58.28 1ndl h LYS 129 Cb 0.32 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1ndl h LYS 129 CO -0.29 1.21 -0.51 0.93 -0.57 0.00 0.00 179.45 180.22 1ndl h GLU 130 N 0.60 0.86 -0.33 3.15 5.08 -0.79 -2.45 114.58 120.70 1ndl h GLU 130 Ca -0.02 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1ndl h GLU 130 Cb 1.27 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1ndl h GLU 130 CO 0.14 1.16 0.20 0.82 -1.00 0.00 0.00 179.01 180.33 1ndl h ILE 131 N 0.67 1.12 0.00 3.13 2.04 -0.87 -1.76 117.51 121.84 1ndl h ILE 131 Ca 0.03 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1ndl h ILE 131 Cb 1.11 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1ndl h ILE 131 CO 0.11 0.12 -0.11 0.00 0.00 0.00 0.00 178.15 178.28 1ndl h ALA 132 N 1.07 1.30 0.20 1.87 0.00 -1.49 0.39 119.26 122.61 1ndl h ALA 132 Ca 0.12 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 1ndl h ALA 132 Cb 0.02 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ndl h ALA 132 CO -0.02 0.14 -1.44 1.25 0.00 0.00 0.00 179.25 179.18 1ndl h LEU 133 N 0.00 0.67 0.00 0.00 5.85 -1.09 -3.37 115.31 117.37 1ndl h LEU 133 Ca -0.00 -0.75 -0.15 0.00 0.84 0.00 0.00 57.88 57.82 1ndl h LEU 133 Cb 0.31 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1ndl h LEU 133 CO 0.01 1.59 -1.50 0.79 -0.34 0.00 0.00 178.44 179.00 1ndl n TRP 134 N -3.63 0.81 -4.16 1.25 7.02 -0.69 -4.98 117.44 113.06 1ndl n TRP 134 Ca -0.15 0.26 -0.15 0.00 -1.02 0.00 0.00 57.50 56.44 1ndl n TRP 134 Cb 1.08 -1.01 -0.11 0.00 -2.42 0.00 0.00 31.31 28.85 1ndl n TRP 134 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1ndl s PHE 135 N -3.01 1.05 0.56 -5.99 0.08 0.10 -5.10 117.98 105.67 1ndl s PHE 135 Ca -0.04 -0.57 -0.04 0.00 0.12 0.00 0.00 56.93 56.40 1ndl s PHE 135 Cb 0.09 -0.58 0.01 0.00 -0.57 0.00 0.00 43.02 41.97 1ndl s PHE 135 CO 0.82 0.01 0.85 -0.80 -0.10 0.00 0.00 175.22 175.99 1ndl s ASN 136 N -2.12 5.56 0.49 1.36 0.01 -1.26 -4.46 114.94 114.53 1ndl s ASN 136 Ca 0.01 0.55 0.29 0.00 -0.71 0.00 0.00 52.86 52.99 1ndl s ASN 136 Cb -0.06 -1.56 1.10 0.00 0.41 0.00 0.00 41.25 41.14 1ndl s ASN 136 CO 0.01 -1.03 1.89 -0.33 -1.51 0.00 0.00 177.10 176.13 1ndl h GLU 137 N -0.06 0.00 0.00 -0.60 5.08 -1.96 -2.34 114.58 114.71 1ndl h GLU 137 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1ndl h GLU 137 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1ndl h GLU 137 CO 0.59 0.10 0.00 0.87 -1.00 0.00 0.00 179.01 179.58 1ndl h LYS 138 N 0.00 0.00 -0.01 2.33 1.79 -2.04 -3.09 116.57 115.55 1ndl h LYS 138 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ndl h LYS 138 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1ndl h LYS 138 CO 0.01 0.00 -0.44 0.39 -1.08 0.00 0.00 179.45 178.33 1ndl n GLU 139 N -2.45 0.72 -3.12 3.15 1.02 -0.88 -4.78 120.64 114.30 1ndl n GLU 139 Ca 0.04 -0.50 -0.43 0.00 -0.02 0.00 0.00 57.16 56.24 1ndl n GLU 139 Cb 0.36 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.23 1ndl n GLU 139 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ndl s LEU 140 N -2.63 4.72 0.08 -4.62 1.43 -1.17 -4.43 118.68 112.06 1ndl s LEU 140 Ca 0.19 -0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 52.40 1ndl s LEU 140 Cb 0.18 -2.57 -0.07 0.00 0.03 0.00 0.00 46.19 43.77 1ndl s LEU 140 CO 0.60 -0.87 0.69 -0.69 0.23 0.00 0.00 176.35 176.31 1ndl s VAL 141 N 2.79 4.65 -0.13 -1.59 1.01 0.42 -5.02 120.40 122.53 1ndl s VAL 141 Ca 0.19 1.48 -0.00 0.00 0.00 0.00 0.00 61.98 63.65 1ndl s VAL 141 Cb -0.17 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1ndl s VAL 141 CO 0.15 0.47 -0.13 0.42 0.00 0.00 0.00 175.10 176.01 1ndl s THR 142 N -0.69 3.03 0.33 3.92 -4.23 -1.26 -4.68 115.64 112.06 1ndl s THR 142 Ca 0.34 -0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 60.03 1ndl s THR 142 Cb -0.21 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.39 1ndl s THR 142 CO 0.22 0.52 0.68 -1.66 -0.54 0.00 0.00 174.62 173.85 1ndl s TRP 143 N 0.39 0.18 -0.13 3.99 1.48 -1.26 -5.16 118.94 118.43 1ndl s TRP 143 Ca -0.10 -0.69 -0.01 0.00 -1.06 0.00 0.00 56.10 54.23 1ndl s TRP 143 Cb -0.16 0.59 0.04 0.00 -1.16 0.00 0.00 33.47 32.78 1ndl s TRP 143 CO 0.05 -1.33 -0.03 0.99 -4.06 0.00 0.00 176.95 172.57 1ndl s THR 144 N -3.14 0.77 0.39 0.66 2.01 -1.26 -5.13 115.64 109.95 1ndl s THR 144 Ca 0.17 -0.32 -0.26 0.00 0.31 0.00 0.00 61.69 61.58 1ndl s THR 144 Cb -0.04 -0.97 -0.09 0.00 0.01 0.00 0.00 72.50 71.41 1ndl s THR 144 CO 0.11 0.16 1.27 -2.84 -0.69 0.00 0.00 174.62 172.63 1ndl s PRO 145 N 1.79 4.05 0.46 4.92 0.02 -1.26 -4.93 135.00 140.05 1ndl s PRO 145 Ca 0.03 2.09 0.19 0.00 0.02 0.00 0.00 61.00 63.33 1ndl s PRO 145 Cb -0.14 -2.79 1.13 0.00 0.02 0.00 0.00 34.50 32.72 1ndl s PRO 145 CO -0.07 -0.40 2.00 0.00 -0.33 0.00 0.00 177.00 178.20 1ndl h ALA 146 N 2.79 1.50 -0.01 -1.55 0.00 -2.05 -2.96 119.26 116.98 1ndl h ALA 146 Ca -0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1ndl h ALA 146 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ndl h ALA 146 CO 0.63 0.23 -0.07 0.00 0.00 0.00 0.00 179.25 180.04 1ndl n ALA 147 N -2.42 2.73 -0.32 0.00 0.00 -1.26 -4.60 120.51 114.64 1ndl n ALA 147 Ca -0.02 -0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.08 1ndl n ALA 147 Cb 0.26 -1.26 0.07 0.00 0.00 0.00 0.00 19.45 18.52 1ndl n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ndl n LYS 148 N -0.45 -0.15 0.28 0.00 4.81 -1.12 -0.31 118.16 121.23 1ndl n LYS 148 Ca 0.18 1.31 0.19 0.00 -0.87 0.00 0.00 58.31 59.11 1ndl n LYS 148 Cb 0.29 -1.95 0.85 0.00 0.02 0.00 0.00 35.03 34.24 1ndl n LYS 148 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1ndl h ASP 149 N 0.00 0.00 0.24 3.14 3.32 -1.81 0.16 116.42 121.47 1ndl h ASP 149 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1ndl h ASP 149 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1ndl h ASP 149 CO -0.85 0.00 -0.35 0.79 -1.72 0.00 0.00 179.24 177.11 1ndl n TRP 150 N -2.99 0.00 -0.08 4.55 7.02 0.58 -4.14 117.44 122.37 1ndl n TRP 150 Ca -0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.37 1ndl n TRP 150 Cb 0.21 -0.12 -0.08 0.00 -2.42 0.00 0.00 31.31 28.90 1ndl n TRP 150 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1ndl n ILE 151 N -0.74 0.93 -4.96 -0.99 5.41 -0.40 -5.01 119.36 113.60 1ndl n ILE 151 Ca 0.11 -0.39 -0.27 0.00 1.00 0.00 0.00 62.75 63.20 1ndl n ILE 151 Cb 0.36 -1.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.13 1ndl n ILE 151 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1ndl s TYR 152 N -2.32 1.81 -2.00 1.39 2.02 -0.09 -5.11 117.35 113.05 1ndl s TYR 152 Ca -0.19 -0.35 0.24 0.00 -0.37 0.00 0.00 57.07 56.40 1ndl s TYR 152 Cb 0.05 -1.16 1.45 0.00 -0.40 0.00 0.00 41.96 41.91 1ndl s TYR 152 CO 0.41 -0.02 1.81 0.39 -1.57 0.00 0.00 175.55 176.57