#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2giw n ASP 2 N 0.00 2.06 0.00 1.61 2.03 -1.26 -4.72 116.55 116.27 2giw n ASP 2 Ca 0.00 -1.58 0.00 0.00 0.52 0.00 0.00 54.79 53.73 2giw n ASP 2 Cb 0.00 0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 2giw n ASP 2 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2giw n VAL 3 N 0.41 0.00 0.00 5.18 0.31 -1.26 -4.42 118.33 118.54 2giw n VAL 3 Ca 0.14 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.45 2giw n VAL 3 Cb 0.46 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.38 2giw n VAL 3 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2giw h GLU 4 N 0.00 -0.11 -0.19 5.55 4.39 -1.92 -3.36 114.58 118.93 2giw h GLU 4 Ca 0.00 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 2giw h GLU 4 Cb 0.00 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2giw h GLU 4 CO 0.00 -0.04 -0.20 0.87 -1.16 0.00 0.00 179.01 178.48 2giw h LYS 5 N -1.03 0.34 -0.68 2.33 1.57 -1.93 -1.52 116.57 115.64 2giw h LYS 5 Ca -0.01 -0.10 0.15 0.00 -1.87 0.00 0.00 60.65 58.81 2giw h LYS 5 Cb 0.13 -0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.30 2giw h LYS 5 CO 0.02 0.53 0.06 0.78 -0.57 0.00 0.00 179.45 180.27 2giw h GLY 6 N 0.93 0.81 1.67 3.86 0.00 -1.75 -0.16 103.07 108.42 2giw h GLY 6 Ca 0.05 0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.33 2giw h GLY 6 CO 0.04 -0.21 -0.35 0.07 0.00 0.00 0.00 176.54 176.09 2giw h LYS 7 N 0.16 0.38 0.08 4.80 2.10 -1.42 0.12 116.57 122.80 2giw h LYS 7 Ca 0.37 -0.17 -0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2giw h LYS 7 Cb 0.61 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2giw h LYS 7 CO -0.54 0.68 -0.04 -0.22 -2.00 0.00 0.00 179.45 177.33 2giw h LYS 8 N 0.33 -0.11 -0.36 0.07 1.63 -1.22 -0.95 116.57 115.96 2giw h LYS 8 Ca 0.04 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 2giw h LYS 8 Cb 0.77 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 2giw h LYS 8 CO 0.06 0.35 0.05 0.82 -3.45 0.00 0.00 179.45 177.27 2giw h ILE 9 N -0.62 1.24 -0.07 2.00 2.04 -0.93 0.66 117.51 121.84 2giw h ILE 9 Ca -0.01 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.00 2giw h ILE 9 Cb 0.51 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2giw h ILE 9 CO 0.02 0.29 -0.24 0.15 0.00 0.00 0.00 178.15 178.37 2giw h PHE 10 N 0.43 -0.72 -0.92 1.37 3.57 -0.82 -1.80 116.94 118.06 2giw h PHE 10 Ca 0.11 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.78 2giw h PHE 10 Cb 0.38 0.32 -0.08 0.00 2.79 0.00 0.00 35.95 39.36 2giw h PHE 10 CO 0.03 -0.24 0.59 0.28 -2.23 0.00 0.00 178.31 176.74 2giw h VAL 11 N -0.25 0.82 -0.90 1.41 2.07 -0.85 0.68 116.25 119.23 2giw h VAL 11 Ca 0.02 -0.25 0.12 0.00 0.82 0.00 0.00 66.70 67.41 2giw h VAL 11 Cb 0.30 0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.02 2giw h VAL 11 CO -0.20 0.13 0.52 -0.61 0.02 0.00 0.00 177.57 177.44 2giw h GLN 12 N 0.72 0.78 0.00 1.57 5.75 -0.19 -3.30 115.11 120.44 2giw h GLN 12 Ca 0.47 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.82 2giw h GLN 12 Cb 0.74 -0.18 -0.20 0.00 1.07 0.00 0.00 27.48 28.91 2giw h GLN 12 CO -0.23 0.52 -0.70 0.36 -2.65 0.00 0.00 178.83 176.12 2giw n LYS 13 N -4.74 0.00 0.00 1.69 -0.00 0.49 -4.87 118.16 110.73 2giw n LYS 13 Ca 0.17 -1.41 0.00 0.00 -0.00 0.00 0.00 58.31 57.07 2giw n LYS 13 Cb 0.37 -0.12 0.00 0.00 -0.00 0.00 0.00 35.03 35.28 2giw n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2giw h ALA 15 N 0.00 2.48 -0.99 0.00 0.00 -1.62 0.12 119.26 119.25 2giw h ALA 15 Ca 0.00 0.01 0.33 0.00 0.00 0.00 0.00 54.91 55.25 2giw h ALA 15 Cb 0.37 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.03 2giw h ALA 15 CO 0.00 -0.78 0.51 1.96 0.00 0.00 0.00 179.25 180.95 2giw h GLN 16 N 0.24 0.24 0.00 0.00 4.20 -1.90 -1.97 115.11 115.91 2giw h GLN 16 Ca 0.48 -0.01 -0.30 0.00 0.06 0.00 0.00 58.65 58.88 2giw h GLN 16 Cb 1.47 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 29.14 2giw h GLN 16 CO -0.13 0.16 -2.24 0.00 -0.67 0.00 0.00 178.83 175.95 2giw s HIS 18 N -2.57 2.87 -1.04 0.00 3.76 -0.03 -1.36 115.29 116.92 2giw s HIS 18 Ca -0.09 -3.01 -0.08 0.00 -0.15 0.00 0.00 55.06 51.72 2giw s HIS 18 Cb 0.06 -2.32 -0.14 0.00 1.11 0.00 0.00 32.58 31.29 2giw s HIS 18 CO 0.77 -0.66 3.18 0.25 -0.85 0.00 0.00 174.74 177.43 2giw n THR 19 N 2.54 3.88 -2.25 1.30 -2.24 -1.22 -4.11 114.28 112.19 2giw n THR 19 Ca 0.17 -2.26 -0.35 0.00 -2.27 0.00 0.00 64.05 59.34 2giw n THR 19 Cb 0.36 -2.37 -0.04 0.00 -2.10 0.00 0.00 70.33 66.18 2giw n THR 19 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2giw s VAL 20 N 1.60 3.58 -0.28 2.28 0.11 -1.26 -3.97 120.40 122.45 2giw s VAL 20 Ca 0.68 -0.20 0.11 0.00 -2.93 0.00 0.00 61.98 59.65 2giw s VAL 20 Cb 0.23 -4.38 0.35 0.00 -1.53 0.00 0.00 36.38 31.05 2giw s VAL 20 CO -0.04 -1.32 1.44 1.21 -3.33 0.00 0.00 175.10 173.07 2giw n GLU 21 N 9.03 1.16 -4.21 1.54 2.13 -1.26 -4.98 120.64 124.04 2giw n GLU 21 Ca 0.28 -1.27 -0.30 0.00 0.66 0.00 0.00 57.16 56.52 2giw n GLU 21 Cb 0.49 0.36 -0.07 0.00 0.27 0.00 0.00 31.44 32.49 2giw n GLU 21 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2giw n LYS 22 N -1.26 -1.49 0.00 5.31 5.02 -1.26 -4.75 118.16 119.72 2giw n LYS 22 Ca -0.18 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2giw n LYS 22 Cb 0.85 -3.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.09 2giw n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2giw n GLY 23 N -2.41 -0.90 1.48 0.72 0.00 -1.26 -5.17 105.19 97.64 2giw n GLY 23 Ca -0.31 0.39 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 2giw n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2giw n GLY 24 N 0.00 3.08 3.10 -0.02 0.00 -1.26 -5.06 105.19 105.03 2giw n GLY 24 Ca 0.00 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 2giw n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2giw s LYS 25 N -2.47 0.62 0.01 1.61 -2.85 -1.26 -5.04 119.74 110.36 2giw s LYS 25 Ca 0.15 -1.08 -0.16 0.00 -1.00 0.00 0.00 55.97 53.88 2giw s LYS 25 Cb 0.00 0.23 -0.09 0.00 -2.06 0.00 0.00 37.83 35.91 2giw s LYS 25 CO 0.11 -0.14 1.02 0.45 0.10 0.00 0.00 175.35 176.89 2giw h HIS 26 N 3.25 -0.54 -6.21 1.78 3.86 -1.88 -3.35 115.15 112.05 2giw h HIS 26 Ca -0.34 -0.01 -0.46 0.00 -1.16 0.00 0.00 60.37 58.40 2giw h HIS 26 Cb 1.16 0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.81 2giw h HIS 26 CO 0.52 -0.34 -0.74 1.17 0.86 0.00 0.00 177.93 179.40 2giw n LYS 27 N -3.92 -6.02 -0.01 2.45 0.00 -1.26 -1.52 118.16 107.88 2giw n LYS 27 Ca -0.07 0.64 0.00 0.00 0.00 0.00 0.00 58.31 58.88 2giw n LYS 27 Cb 0.23 -5.57 0.00 0.00 0.00 0.00 0.00 35.03 29.69 2giw n LYS 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2giw n THR 28 N -4.75 0.00 -3.69 3.15 -1.04 -1.26 -4.71 114.28 101.98 2giw n THR 28 Ca 0.03 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.94 2giw n THR 28 Cb 0.53 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.94 2giw n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2giw s GLY 29 N -1.43 -0.36 0.10 3.41 0.00 -0.47 -4.91 107.32 103.67 2giw s GLY 29 Ca 0.00 1.60 -0.32 0.00 0.00 0.00 0.00 44.72 46.00 2giw s GLY 29 CO 0.00 1.82 1.78 -1.05 0.00 0.00 0.00 173.10 175.66 2giw n PRO 30 N 4.39 2.56 -1.64 2.90 -0.02 -1.26 -4.32 135.00 137.61 2giw n PRO 30 Ca -0.22 0.93 -0.53 0.00 -2.02 0.00 0.00 63.50 61.66 2giw n PRO 30 Cb 0.55 -2.79 -0.06 0.00 -0.02 0.00 0.00 33.50 31.18 2giw n PRO 30 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2giw n ASN 31 N 5.21 2.06 -2.66 2.55 3.02 -1.26 -4.78 115.26 119.40 2giw n ASN 31 Ca 0.18 1.10 -0.24 0.00 -0.03 0.00 0.00 54.58 55.59 2giw n ASN 31 Cb 0.34 -1.20 -0.09 0.00 -0.61 0.00 0.00 39.78 38.22 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2giw n LEU 32 N 3.68 6.67 -0.07 3.41 4.77 -1.26 -4.65 117.00 129.55 2giw n LEU 32 Ca 0.21 -3.63 -0.07 0.00 -0.03 0.00 0.00 56.01 52.49 2giw n LEU 32 Cb 0.18 -1.43 -0.01 0.00 -2.33 0.00 0.00 43.42 39.84 2giw n LEU 32 CO 0.69 1.75 0.86 -0.74 -1.33 0.00 0.00 177.39 178.62 2giw h HIS 33 N 4.15 0.00 -2.54 -1.77 -0.00 -1.93 -3.41 115.15 109.65 2giw h HIS 33 Ca 0.51 0.02 -0.24 0.00 -0.00 0.00 0.00 60.37 60.66 2giw h HIS 33 Cb 0.85 0.04 -0.33 0.00 -0.00 0.00 0.00 27.41 27.98 2giw h HIS 33 CO 1.82 -0.04 -0.55 0.20 -0.00 0.00 0.00 177.93 179.37 2giw s GLY 34 N -2.69 -0.13 0.00 5.26 0.00 -1.26 -4.56 107.32 103.93 2giw s GLY 34 Ca -0.13 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2giw s GLY 34 CO 0.70 2.18 0.00 1.04 0.00 0.00 0.00 173.10 177.02 2giw n LEU 35 N 5.34 0.00 -3.73 0.66 7.99 -1.26 -4.68 117.00 121.32 2giw n LEU 35 Ca -0.05 0.00 -0.53 0.00 -0.01 0.00 0.00 56.01 55.42 2giw n LEU 35 Cb 0.50 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.70 2giw n LEU 35 CO 0.05 0.00 1.52 0.49 -1.51 0.00 0.00 177.39 177.94 2giw n PHE 36 N -0.52 1.02 0.00 -1.77 3.01 -0.98 -0.41 117.46 117.80 2giw n PHE 36 Ca 0.00 0.68 0.00 0.00 1.01 0.00 0.00 57.45 59.14 2giw n PHE 36 Cb 0.00 -2.01 0.00 0.00 -0.01 0.00 0.00 39.48 37.46 2giw n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2giw n GLY 37 N 6.57 2.89 3.59 1.37 0.00 -0.67 -4.97 105.19 113.96 2giw n GLY 37 Ca 0.48 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 2giw n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2giw s ARG 38 N -0.15 3.36 -0.29 1.61 3.00 0.45 -4.91 118.95 122.02 2giw s ARG 38 Ca 0.00 0.74 -0.40 0.00 -1.00 0.00 0.00 55.73 55.07 2giw s ARG 38 Cb 0.00 -4.11 -0.16 0.00 0.00 0.00 0.00 34.95 30.68 2giw s ARG 38 CO 0.00 -1.84 1.76 0.36 0.00 0.00 0.00 175.30 175.58 2giw n LYS 39 N 8.45 1.11 -1.48 5.12 0.00 -1.26 -4.25 118.16 125.84 2giw n LYS 39 Ca 0.16 0.40 -0.29 0.00 -0.00 0.00 0.00 58.31 58.58 2giw n LYS 39 Cb 0.49 -2.09 0.15 0.00 -0.00 0.00 0.00 35.03 33.57 2giw n LYS 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2giw s THR 40 N 3.71 1.99 -0.74 0.58 2.01 0.07 -4.17 115.64 119.08 2giw s THR 40 Ca 0.99 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.99 2giw s THR 40 Cb -1.08 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2giw s THR 40 CO 0.66 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.20 2giw n GLY 41 N -2.05 0.59 3.16 4.40 0.00 -1.26 -4.20 105.19 105.82 2giw n GLY 41 Ca 0.07 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.49 2giw n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2giw s GLN 42 N -3.36 0.24 0.25 1.61 0.74 -1.26 -4.85 119.66 113.02 2giw s GLN 42 Ca 0.00 0.43 0.10 0.00 0.05 0.00 0.00 55.36 55.93 2giw s GLN 42 Cb 0.00 0.24 -0.05 0.00 1.10 0.00 0.00 33.01 34.30 2giw s GLN 42 CO 0.00 -0.25 -0.16 0.00 -0.55 0.00 0.00 175.29 174.33 2giw s ALA 43 N 2.91 2.40 -1.02 1.58 0.00 -1.26 -4.89 121.76 121.48 2giw s ALA 43 Ca 0.01 -1.79 0.14 0.00 0.00 0.00 0.00 51.96 50.32 2giw s ALA 43 Cb -0.11 -0.14 0.60 0.00 0.00 0.00 0.00 23.12 23.48 2giw s ALA 43 CO -0.12 0.15 1.44 -0.35 0.00 0.00 0.00 175.76 176.88 2giw n PRO 44 N -0.52 0.01 0.00 0.00 -0.04 -1.26 -4.65 135.00 128.54 2giw n PRO 44 Ca -0.06 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2giw n PRO 44 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2giw n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2giw n GLY 45 N -0.06 -0.87 3.29 0.55 0.00 -1.26 -5.02 105.19 101.82 2giw n GLY 45 Ca 0.04 0.40 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 2giw n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2giw n PHE 46 N -0.26 3.58 -1.02 1.61 7.35 -1.26 -4.79 117.46 122.67 2giw n PHE 46 Ca 0.00 -2.45 -0.16 0.00 -0.76 0.00 0.00 57.45 54.09 2giw n PHE 46 Cb 0.00 -2.48 -0.14 0.00 0.35 0.00 0.00 39.48 37.21 2giw n PHE 46 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 2giw n THR 47 N 6.30 3.12 -4.84 -2.13 5.66 -1.26 -4.87 114.28 116.26 2giw n THR 47 Ca 0.49 -1.63 0.00 0.00 -3.05 0.00 0.00 64.05 59.86 2giw n THR 47 Cb 0.44 -2.08 0.00 0.00 -1.55 0.00 0.00 70.33 67.13 2giw n THR 47 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2giw n TYR 48 N 2.69 -1.09 -2.58 1.09 4.01 -1.26 -4.13 117.16 115.89 2giw n TYR 48 Ca 0.47 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.89 2giw n TYR 48 Cb 0.79 0.19 -0.04 0.00 -0.31 0.00 0.00 39.34 39.96 2giw n TYR 48 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2giw s THR 49 N 0.00 4.56 0.46 -0.72 -4.23 -1.26 -4.85 115.64 109.59 2giw s THR 49 Ca 0.00 1.16 0.29 0.00 -1.18 0.00 0.00 61.69 61.95 2giw s THR 49 Cb 0.00 -3.70 0.48 0.00 1.34 0.00 0.00 72.50 70.63 2giw s THR 49 CO 0.00 -0.57 1.73 0.44 -0.54 0.00 0.00 174.62 175.68 2giw h ASP 50 N 1.21 0.24 -1.00 3.99 5.19 -1.88 0.13 116.42 124.30 2giw h ASP 50 Ca -0.47 0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.03 2giw h ASP 50 Cb 1.18 0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.68 2giw h ASP 50 CO 0.62 -0.01 0.66 0.00 -3.12 0.00 0.00 179.24 177.38 2giw h ALA 51 N 1.51 1.33 0.08 3.45 0.00 -1.91 0.24 119.26 123.96 2giw h ALA 51 Ca 0.67 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 55.20 2giw h ALA 51 Cb 2.14 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 2giw h ALA 51 CO -0.23 0.60 -1.72 -0.97 0.00 0.00 0.00 179.25 176.93 2giw h ASN 52 N 1.30 0.25 -0.65 0.00 -0.00 -1.18 -3.31 115.58 112.00 2giw h ASN 52 Ca 0.38 -0.47 0.10 0.00 -0.00 0.00 0.00 56.30 56.31 2giw h ASN 52 Cb -0.06 -0.08 -0.07 0.00 -0.00 0.00 0.00 38.32 38.10 2giw h ASN 52 CO -0.11 1.41 0.28 0.50 -0.00 0.00 0.00 177.43 179.51 2giw h LYS 53 N 0.04 0.46 0.00 6.67 3.64 -0.66 -0.85 116.57 125.88 2giw h LYS 53 Ca -0.31 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2giw h LYS 53 Cb 2.01 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 2giw h LYS 53 CO 0.11 0.31 0.00 -0.97 -2.27 0.00 0.00 179.45 176.63 2giw h ASN 54 N 0.48 0.00 -0.36 4.20 -1.24 -0.64 -3.34 115.58 114.68 2giw h ASN 54 Ca 0.33 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 57.17 2giw h ASN 54 Cb 0.39 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.43 2giw h ASN 54 CO -0.30 0.00 -0.43 0.50 -1.29 0.00 0.00 177.43 175.91 2giw h LYS 55 N 0.00 0.92 -4.03 6.67 1.63 -1.23 -3.47 116.57 117.06 2giw h LYS 55 Ca 0.00 -0.52 -0.38 0.00 -0.85 0.00 0.00 60.65 58.90 2giw h LYS 55 Cb 0.29 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 31.97 2giw h LYS 55 CO 0.00 1.17 -0.54 0.41 -3.45 0.00 0.00 179.45 177.04 2giw n GLY 56 N 0.21 -0.51 0.00 5.01 0.00 -1.25 -4.96 105.19 103.68 2giw n GLY 56 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2giw n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2giw n ILE 57 N -4.13 0.00 -2.44 -0.61 -5.35 -1.26 -4.79 119.36 100.78 2giw n ILE 57 Ca -0.15 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.34 2giw n ILE 57 Cb 0.63 -1.84 0.01 0.00 -1.74 0.00 0.00 39.64 36.70 2giw n ILE 57 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2giw n THR 58 N -0.01 0.13 -3.19 7.28 -1.04 -1.26 -0.75 114.28 115.44 2giw n THR 58 Ca 0.00 -0.99 0.00 0.00 -2.04 0.00 0.00 64.05 61.02 2giw n THR 58 Cb 0.00 0.93 0.00 0.00 -1.82 0.00 0.00 70.33 69.44 2giw n THR 58 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2giw n TRP 59 N 0.22 0.00 -1.99 -1.42 5.03 -1.26 -1.68 117.44 116.34 2giw n TRP 59 Ca -0.02 0.00 -0.29 0.00 3.03 0.00 0.00 57.50 60.23 2giw n TRP 59 Cb 1.01 0.00 0.07 0.00 -1.03 0.00 0.00 31.31 31.36 2giw n TRP 59 CO 0.00 0.00 0.00 -1.59 -0.03 0.00 0.00 177.69 176.07 2giw s LYS 60 N -3.70 2.39 0.26 -0.99 0.00 -1.26 -2.33 119.74 114.11 2giw s LYS 60 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 55.97 56.02 2giw s LYS 60 Cb 0.00 -2.04 0.37 0.00 0.00 0.00 0.00 37.83 36.16 2giw s LYS 60 CO 0.00 -1.27 1.52 -1.91 0.00 0.00 0.00 175.35 173.69 2giw n GLU 61 N -3.09 -0.14 0.04 1.78 2.13 -1.26 -0.96 120.64 119.15 2giw n GLU 61 Ca 0.07 1.52 -0.11 0.00 0.66 0.00 0.00 57.16 59.30 2giw n GLU 61 Cb 0.59 -2.26 -0.06 0.00 0.27 0.00 0.00 31.44 29.99 2giw n GLU 61 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2giw h GLU 62 N 0.00 -0.10 -0.32 5.31 5.08 -1.99 0.78 114.58 123.34 2giw h GLU 62 Ca 0.42 0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.62 2giw h GLU 62 Cb 0.67 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2giw h GLU 62 CO -0.99 -0.06 -0.45 1.79 -1.00 0.00 0.00 179.01 178.30 2giw h THR 63 N -0.10 1.28 -0.05 1.13 1.35 -1.55 -0.93 112.91 114.04 2giw h THR 63 Ca 0.03 -1.63 0.03 0.00 -0.55 0.00 0.00 66.41 64.28 2giw h THR 63 Cb 0.13 1.50 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 2giw h THR 63 CO -0.07 0.53 -0.11 -0.07 -0.25 0.00 0.00 175.52 175.56 2giw h LEU 64 N 0.67 -0.33 -0.21 3.87 4.07 -0.78 -0.69 115.31 121.91 2giw h LEU 64 Ca 0.04 0.06 0.05 0.00 0.08 0.00 0.00 57.88 58.11 2giw h LEU 64 Cb 1.03 0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.86 2giw h LEU 64 CO 0.10 -0.15 -0.15 -0.03 -1.08 0.00 0.00 178.44 177.13 2giw h MET 65 N -0.16 -0.15 -0.61 1.13 4.05 -0.42 0.37 114.93 119.13 2giw h MET 65 Ca 0.06 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.46 2giw h MET 65 Cb 0.24 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 2giw h MET 65 CO -0.15 -0.10 0.28 1.49 0.23 0.00 0.00 176.91 178.67 2giw h GLU 66 N -0.15 0.89 0.65 0.39 4.81 -1.05 -0.43 114.58 119.68 2giw h GLU 66 Ca 0.12 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2giw h GLU 66 Cb 0.33 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.56 2giw h GLU 66 CO -0.30 0.73 -0.31 -0.92 -0.73 0.00 0.00 179.01 177.48 2giw h TYR 67 N 0.85 -0.80 -0.97 0.92 3.20 -0.66 -1.07 116.97 118.43 2giw h TYR 67 Ca 0.21 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.16 2giw h TYR 67 Cb 0.14 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.60 2giw h TYR 67 CO 0.00 -0.47 0.62 -0.07 -1.64 0.00 0.00 178.16 176.61 2giw h LEU 68 N -0.99 0.93 0.31 2.82 -0.00 -0.89 0.68 115.31 118.17 2giw h LEU 68 Ca -0.09 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 2giw h LEU 68 Cb 0.70 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2giw h LEU 68 CO 0.15 0.54 -0.23 -0.08 -0.00 0.00 0.00 178.44 178.81 2giw h GLU 69 N 1.02 -0.53 -2.20 1.13 4.22 -0.95 -3.42 114.58 113.86 2giw h GLU 69 Ca 0.46 0.04 -0.50 0.00 0.08 0.00 0.00 59.36 59.43 2giw h GLU 69 Cb 0.38 0.12 -0.35 0.00 0.50 0.00 0.00 28.75 29.40 2giw h GLU 69 CO -0.21 -0.35 -0.84 1.21 -2.18 0.00 0.00 179.01 176.64 2giw s ASN 70 N -4.73 1.46 0.03 1.04 3.84 -0.42 -4.14 114.94 112.03 2giw s ASN 70 Ca -0.16 -2.41 -0.20 0.00 0.21 0.00 0.00 52.86 50.30 2giw s ASN 70 Cb 0.06 0.01 -0.16 0.00 -0.55 0.00 0.00 41.25 40.61 2giw s ASN 70 CO 0.64 -0.21 1.27 1.55 -2.79 0.00 0.00 177.10 177.56 2giw h PRO 71 N 6.21 0.41 -0.62 0.43 0.13 -1.14 -0.58 132.00 136.84 2giw h PRO 71 Ca 0.15 -0.28 0.02 0.00 -0.87 0.00 0.00 66.00 65.03 2giw h PRO 71 Cb 0.97 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 2giw h PRO 71 CO 0.27 0.89 0.41 0.87 -0.23 0.00 0.00 178.00 180.21 2giw h LYS 72 N -0.01 0.75 0.46 0.86 6.56 -1.86 -0.65 116.57 122.69 2giw h LYS 72 Ca -0.00 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.52 2giw h LYS 72 Cb 0.89 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.39 2giw h LYS 72 CO 0.06 0.50 -0.22 -0.22 -2.06 0.00 0.00 179.45 177.51 2giw h LYS 73 N 0.78 -0.60 -0.74 3.15 3.64 -1.88 -3.27 116.57 117.65 2giw h LYS 73 Ca 0.24 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.76 2giw h LYS 73 Cb 0.00 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 2giw h LYS 73 CO -0.06 -0.30 0.37 -0.92 -2.27 0.00 0.00 179.45 176.27 2giw h TYR 74 N -1.04 0.67 -3.80 1.91 3.20 -0.90 -3.36 116.97 113.64 2giw h TYR 74 Ca -0.06 0.03 -0.65 0.00 3.14 0.00 0.00 58.73 61.18 2giw h TYR 74 Cb 0.57 -0.19 -0.37 0.00 1.54 0.00 0.00 36.73 38.28 2giw h TYR 74 CO 0.02 0.23 -0.80 0.42 -1.64 0.00 0.00 178.16 176.39 2giw s ILE 75 N -6.05 1.99 -1.24 1.81 1.01 -0.27 -5.04 121.20 113.42 2giw s ILE 75 Ca -0.13 -1.53 -0.15 0.00 0.00 0.00 0.00 60.65 58.84 2giw s ILE 75 Cb 0.19 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 2giw s ILE 75 CO 0.77 -0.06 2.25 -0.81 0.00 0.00 0.00 174.94 177.09 2giw n PRO 76 N 4.49 2.53 0.00 2.79 -0.04 -1.23 -3.31 135.00 140.23 2giw n PRO 76 Ca -0.13 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 2giw n PRO 76 Cb 0.43 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 2giw n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2giw n GLY 77 N 4.10 0.00 3.57 0.55 0.00 -1.26 -4.90 105.19 107.25 2giw n GLY 77 Ca 0.55 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.21 2giw n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2giw s THR 78 N 0.00 4.83 -0.16 2.61 -1.32 -1.21 -4.46 115.64 115.93 2giw s THR 78 Ca 0.00 -0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2giw s THR 78 Cb 0.00 -3.24 0.14 0.00 -1.51 0.00 0.00 72.50 67.89 2giw s THR 78 CO 0.00 0.36 1.74 2.29 -2.21 0.00 0.00 174.62 176.80 2giw n LYS 79 N 4.40 1.40 0.15 7.08 2.85 -1.26 -4.43 118.16 128.35 2giw n LYS 79 Ca -0.16 -0.83 0.04 0.00 -1.05 0.00 0.00 58.31 56.30 2giw n LYS 79 Cb 0.52 -1.33 0.04 0.00 -0.65 0.00 0.00 35.03 33.61 2giw n LYS 79 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 2giw h MET 80 N 0.91 0.00 -6.37 -1.58 4.05 -1.94 -3.48 114.93 106.53 2giw h MET 80 Ca 0.16 0.00 -0.47 0.00 -0.28 0.00 0.00 59.70 59.11 2giw h MET 80 Cb 1.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 2giw h MET 80 CO 0.37 0.43 -0.90 -0.89 0.23 0.00 0.00 176.91 176.16 2giw n ILE 81 N -3.20 -4.09 -4.29 1.77 2.08 -1.26 -4.99 119.36 105.38 2giw n ILE 81 Ca 0.02 -0.64 -0.16 0.00 0.56 0.00 0.00 62.75 62.53 2giw n ILE 81 Cb 0.71 -3.30 -0.10 0.00 -0.75 0.00 0.00 39.64 36.20 2giw n ILE 81 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 2giw s PHE 82 N -3.77 1.42 -0.29 1.39 5.36 -1.26 -5.16 117.98 115.67 2giw s PHE 82 Ca 0.15 -0.84 -0.24 0.00 -0.96 0.00 0.00 56.93 55.05 2giw s PHE 82 Cb -0.06 -0.77 0.15 0.00 -0.34 0.00 0.00 43.02 42.00 2giw s PHE 82 CO 0.87 0.03 1.15 0.00 -1.46 0.00 0.00 175.22 175.81 2giw s ALA 83 N -3.37 -2.09 0.06 11.12 0.00 -1.26 -4.75 121.76 121.48 2giw s ALA 83 Ca 0.23 1.85 0.00 0.00 0.00 0.00 0.00 51.96 54.04 2giw s ALA 83 Cb 0.04 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.59 2giw s ALA 83 CO 0.05 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.01 2giw n GLY 84 N 2.19 -1.60 0.00 0.00 0.00 -1.26 -5.04 105.19 99.49 2giw n GLY 84 Ca -0.12 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2giw n GLY 84 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2giw n ILE 85 N -1.77 0.00 0.00 -0.61 3.06 -1.26 -4.79 119.36 113.99 2giw n ILE 85 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2giw n ILE 85 Cb 0.13 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.31 2giw n ILE 85 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2giw n LYS 86 N -0.05 0.00 -2.70 9.51 5.02 -1.26 -5.01 118.16 123.68 2giw n LYS 86 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 2giw n LYS 86 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 2giw n LYS 86 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2giw s LYS 87 N 0.00 0.46 0.00 1.97 2.20 -1.26 -5.03 119.74 118.08 2giw s LYS 87 Ca 0.00 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 2giw s LYS 87 Cb 0.00 -0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.30 2giw s LYS 87 CO 0.00 -0.57 0.00 1.17 -0.36 0.00 0.00 175.35 175.59 2giw n LYS 88 N 2.69 0.00 0.00 4.03 4.81 -1.26 -4.48 118.16 123.95 2giw n LYS 88 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 2giw n LYS 88 Cb 0.62 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.67 2giw n LYS 88 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2giw n THR 89 N 0.00 0.00 -0.36 3.15 -2.24 -1.26 -0.26 114.28 113.31 2giw n THR 89 Ca 0.00 0.53 0.05 0.00 -2.27 0.00 0.00 64.05 62.36 2giw n THR 89 Cb 0.00 -0.72 0.22 0.00 -2.10 0.00 0.00 70.33 67.73 2giw n THR 89 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2giw h GLU 90 N 0.00 1.04 -0.25 -0.78 4.81 -1.95 0.98 114.58 118.42 2giw h GLU 90 Ca 0.00 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 2giw h GLU 90 Cb 0.00 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 2giw h GLU 90 CO 0.00 0.69 0.27 -0.09 -0.73 0.00 0.00 179.01 179.15 2giw h ARG 91 N 1.07 0.00 0.00 1.92 2.43 -0.97 -0.13 114.38 118.70 2giw h ARG 91 Ca 0.46 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.57 2giw h ARG 91 Cb 0.35 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2giw h ARG 91 CO -0.22 0.00 -0.74 -1.91 -1.51 0.00 0.00 179.97 175.59 2giw n GLU 92 N -3.81 0.48 0.07 0.20 4.07 0.12 -4.27 120.64 117.51 2giw n GLU 92 Ca 0.03 0.53 -0.13 0.00 -0.06 0.00 0.00 57.16 57.53 2giw n GLU 92 Cb 0.41 -1.70 -0.06 0.00 -0.06 0.00 0.00 31.44 30.03 2giw n GLU 92 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2giw h ASP 93 N -1.00 -1.19 -0.24 4.31 3.32 -0.40 0.01 116.42 121.22 2giw h ASP 93 Ca -0.10 0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.15 2giw h ASP 93 Cb 0.74 0.47 -0.07 0.00 0.22 0.00 0.00 39.33 40.69 2giw h ASP 93 CO -0.06 -0.45 -0.27 -0.07 -1.72 0.00 0.00 179.24 176.67 2giw h LEU 94 N -0.57 -0.85 -2.12 1.55 -0.00 -1.28 0.55 115.31 112.59 2giw h LEU 94 Ca 0.05 0.15 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 2giw h LEU 94 Cb 0.64 0.39 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 2giw h LEU 94 CO -0.29 -0.30 0.00 0.40 -0.00 0.00 0.00 178.44 178.25 2giw h ILE 95 N -0.28 0.00 0.08 1.22 5.03 -1.57 -1.53 117.51 120.46 2giw h ILE 95 Ca 0.13 -0.11 -0.33 0.00 -0.12 0.00 0.00 64.86 64.43 2giw h ILE 95 Cb 0.49 0.96 -0.03 0.00 -3.03 0.00 0.00 36.82 35.21 2giw h ILE 95 CO -0.40 0.00 -1.85 0.00 -0.68 0.00 0.00 178.15 175.22 2giw n ALA 96 N -1.98 0.90 -0.01 1.87 0.00 -0.02 -3.14 120.51 118.13 2giw n ALA 96 Ca -0.01 -0.61 -0.09 0.00 0.00 0.00 0.00 53.44 52.73 2giw n ALA 96 Cb 0.12 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 2giw n ALA 96 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2giw h TYR 97 N -0.26 -0.61 0.00 0.00 3.20 -0.60 -1.95 116.97 116.75 2giw h TYR 97 Ca -0.42 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.48 2giw h TYR 97 Cb 1.82 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 40.38 2giw h TYR 97 CO 0.07 -0.31 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.21 2giw h LEU 98 N -0.28 0.00 -0.71 2.82 3.38 -1.38 0.19 115.31 119.32 2giw h LEU 98 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2giw h LEU 98 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2giw h LEU 98 CO -0.32 0.00 0.00 0.50 0.09 0.00 0.00 178.44 178.72 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.64 -1.29 -2.73 116.57 117.32 2giw h LYS 99 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2giw h LYS 99 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2giw h LYS 99 CO 0.00 0.00 -1.73 0.36 -2.27 0.00 0.00 179.45 175.81 2giw n LYS 100 N -2.55 0.81 -0.21 1.90 2.85 0.27 -4.59 118.16 116.65 2giw n LYS 100 Ca 0.02 -0.10 0.07 0.00 -1.05 0.00 0.00 58.31 57.26 2giw n LYS 100 Cb 0.31 -1.34 0.35 0.00 -0.65 0.00 0.00 35.03 33.70 2giw n LYS 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2giw h ALA 101 N 1.14 1.70 0.00 0.58 0.00 -0.47 0.21 119.26 122.43 2giw h ALA 101 Ca -0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2giw h ALA 101 Cb 0.97 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2giw h ALA 101 CO 0.01 0.16 -0.20 1.79 0.00 0.00 0.00 179.25 181.01 2giw h THR 102 N 0.77 0.70 0.03 0.00 1.35 -1.75 -3.33 112.91 110.69 2giw h THR 102 Ca 0.34 -0.85 -0.38 0.00 -0.55 0.00 0.00 66.41 64.97 2giw h THR 102 Cb 0.32 1.53 -0.05 0.00 -1.73 0.00 0.00 68.15 68.22 2giw h THR 102 CO -0.12 0.20 -2.24 -3.20 -0.25 0.00 0.00 175.52 169.91 2giw n ASN 103 N -3.66 2.00 0.00 5.36 5.15 0.38 -4.93 115.26 119.56 2giw n ASN 103 Ca -0.01 0.11 0.01 0.00 -0.60 0.00 0.00 54.58 54.08 2giw n ASN 103 Cb 0.32 -0.67 0.05 0.00 -0.53 0.00 0.00 39.78 38.95 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82