#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2giw h ASP 2 N 0.00 0.13 -0.36 1.61 3.58 -1.89 -3.46 116.42 116.03 2giw h ASP 2 Ca 0.00 -0.07 -0.15 0.00 0.42 0.00 0.00 57.03 57.23 2giw h ASP 2 Cb 0.00 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 40.95 2giw h ASP 2 CO 0.00 0.67 -0.14 0.52 -2.88 0.00 0.00 179.24 177.41 2giw n VAL 3 N -3.88 0.00 0.00 2.25 0.31 -1.26 -4.67 118.33 111.07 2giw n VAL 3 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2giw n VAL 3 Cb 0.58 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 2giw n VAL 3 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2giw n GLU 4 N -2.31 0.00 0.05 5.55 -0.58 -1.26 -4.74 120.64 117.34 2giw n GLU 4 Ca -0.08 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.56 2giw n GLU 4 Cb 0.30 -0.18 -0.04 0.00 -0.57 0.00 0.00 31.44 30.95 2giw n GLU 4 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2giw h LYS 5 N 0.00 -0.25 -0.87 3.49 1.79 -1.93 -2.99 116.57 115.81 2giw h LYS 5 Ca 0.00 0.02 0.13 0.00 -2.18 0.00 0.00 60.65 58.62 2giw h LYS 5 Cb 0.00 0.06 -0.14 0.00 -1.58 0.00 0.00 32.23 30.57 2giw h LYS 5 CO 0.00 -0.16 -0.41 0.78 -1.08 0.00 0.00 179.45 178.57 2giw h GLY 6 N -0.26 -0.14 1.65 3.86 0.00 -1.87 0.19 103.07 106.50 2giw h GLY 6 Ca 0.06 0.55 -0.07 0.00 0.00 0.00 0.00 47.33 47.87 2giw h GLY 6 CO -0.17 -0.17 -0.14 0.07 0.00 0.00 0.00 176.54 176.14 2giw h LYS 7 N -0.06 0.43 0.00 4.80 2.10 -1.80 0.51 116.57 122.54 2giw h LYS 7 Ca 0.28 -0.12 -0.03 0.00 -2.00 0.00 0.00 60.65 58.78 2giw h LYS 7 Cb 0.56 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2giw h LYS 7 CO -0.89 0.57 -0.13 0.87 -2.00 0.00 0.00 179.45 177.87 2giw h LYS 8 N 0.40 0.08 -0.28 0.07 1.79 -0.66 -2.52 116.57 115.44 2giw h LYS 8 Ca 0.07 -0.09 -0.16 0.00 -2.18 0.00 0.00 60.65 58.29 2giw h LYS 8 Cb 0.48 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 2giw h LYS 8 CO 0.03 0.87 -0.47 0.82 -1.08 0.00 0.00 179.45 179.62 2giw h ILE 9 N -0.66 1.29 -0.01 1.86 5.03 -0.68 0.45 117.51 124.78 2giw h ILE 9 Ca -0.02 -1.66 0.01 0.00 -0.12 0.00 0.00 64.86 63.07 2giw h ILE 9 Cb 0.91 1.58 -0.01 0.00 -3.03 0.00 0.00 36.82 36.27 2giw h ILE 9 CO 0.02 0.53 -0.11 0.15 -0.68 0.00 0.00 178.15 178.07 2giw h PHE 10 N 0.58 -0.32 -0.98 1.37 3.57 -0.99 -2.29 116.94 117.87 2giw h PHE 10 Ca 0.03 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.71 2giw h PHE 10 Cb 1.03 0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.82 2giw h PHE 10 CO 0.05 -0.11 0.61 0.28 -2.23 0.00 0.00 178.31 176.91 2giw h VAL 11 N -0.13 0.77 -0.44 1.41 2.07 -1.04 0.65 116.25 119.55 2giw h VAL 11 Ca 0.00 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.36 2giw h VAL 11 Cb 0.14 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 2giw h VAL 11 CO -0.08 0.14 0.30 -0.61 0.02 0.00 0.00 177.57 177.34 2giw h GLN 12 N 0.77 0.13 0.00 1.57 5.75 -0.56 -3.26 115.11 119.51 2giw h GLN 12 Ca 0.53 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.02 2giw h GLN 12 Cb 0.82 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.34 2giw h GLN 12 CO -0.30 0.09 -0.03 0.36 -2.65 0.00 0.00 178.83 176.29 2giw n LYS 13 N -4.44 0.00 0.00 1.69 0.00 0.24 -4.93 118.16 110.72 2giw n LYS 13 Ca 0.07 -0.51 0.00 0.00 -0.00 0.00 0.00 58.31 57.87 2giw n LYS 13 Cb 0.41 -0.48 0.00 0.00 -0.00 0.00 0.00 35.03 34.97 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 2.29 -1.00 0.00 0.00 -1.60 0.68 119.26 119.64 2giw h ALA 15 Ca 0.00 -0.01 0.38 0.00 0.00 0.00 0.00 54.91 55.28 2giw h ALA 15 Cb 0.77 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.36 2giw h ALA 15 CO 0.00 -0.49 0.39 0.00 0.00 0.00 0.00 179.25 179.14 2giw n GLN 16 N -4.44 -0.07 -0.08 0.00 10.64 -1.26 -1.53 117.38 120.65 2giw n GLN 16 Ca 0.14 1.41 -0.19 0.00 -1.83 0.00 0.00 57.00 56.53 2giw n GLN 16 Cb 0.60 -2.44 -0.13 0.00 -0.86 0.00 0.00 30.24 27.41 2giw n GLN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2giw s HIS 18 N -2.53 3.14 -0.20 0.00 3.76 -0.16 -3.80 115.29 115.48 2giw s HIS 18 Ca -0.31 -3.14 -0.06 0.00 -0.15 0.00 0.00 55.06 51.40 2giw s HIS 18 Cb 0.08 -2.54 -0.24 0.00 1.11 0.00 0.00 32.58 31.00 2giw s HIS 18 CO 0.66 -0.64 3.52 0.25 -0.85 0.00 0.00 174.74 177.68 2giw n THR 19 N 2.51 3.17 -1.89 1.30 -2.24 -1.21 -4.10 114.28 111.82 2giw n THR 19 Ca 0.15 -1.68 -0.32 0.00 -2.27 0.00 0.00 64.05 59.93 2giw n THR 19 Cb 0.35 -2.06 -0.06 0.00 -2.10 0.00 0.00 70.33 66.47 2giw n THR 19 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2giw n VAL 20 N 2.56 1.96 0.00 2.28 3.14 -1.26 -2.48 118.33 124.53 2giw n VAL 20 Ca 0.47 -1.98 0.00 0.00 -2.96 0.00 0.00 64.34 59.87 2giw n VAL 20 Cb 0.83 -2.21 0.00 0.00 -1.06 0.00 0.00 33.84 31.40 2giw n VAL 20 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2giw n GLU 21 N 8.02 0.00 -3.49 1.45 0.28 -1.26 -5.00 120.64 120.64 2giw n GLU 21 Ca 0.46 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.47 2giw n GLU 21 Cb 0.45 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.29 2giw n GLU 21 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2giw s LYS 22 N -1.46 0.48 0.00 3.44 -2.85 -1.12 -4.99 119.74 113.25 2giw s LYS 22 Ca 0.00 1.15 0.00 0.00 -1.00 0.00 0.00 55.97 56.12 2giw s LYS 22 Cb 0.00 0.69 0.00 0.00 -2.06 0.00 0.00 37.83 36.46 2giw s LYS 22 CO 0.00 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.63 2giw n GLY 23 N 5.32 2.50 0.00 0.59 0.00 -1.26 -4.94 105.19 107.40 2giw n GLY 23 Ca -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.85 3.81 -0.02 0.00 -1.04 -5.05 105.19 101.04 2giw n GLY 24 Ca 0.00 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 2giw n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2giw s LYS 25 N -3.75 2.24 0.00 1.61 -0.14 -1.26 -4.80 119.74 113.63 2giw s LYS 25 Ca 0.00 -2.38 0.00 0.00 -1.36 0.00 0.00 55.97 52.23 2giw s LYS 25 Cb 0.00 -1.62 0.00 0.00 -1.68 0.00 0.00 37.83 34.53 2giw s LYS 25 CO 0.00 -0.47 0.00 0.72 -0.76 0.00 0.00 175.35 174.84 2giw n HIS 26 N -1.41 -1.37 -0.29 3.18 8.25 -0.89 0.30 115.22 122.97 2giw n HIS 26 Ca -0.18 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.35 2giw n HIS 26 Cb 0.67 0.42 0.15 0.00 1.12 0.00 0.00 29.99 32.34 2giw n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2giw n LYS 27 N -2.33 -0.07 -0.37 -0.41 4.81 -1.26 -0.25 118.16 118.28 2giw n LYS 27 Ca 0.00 1.27 0.07 0.00 -0.87 0.00 0.00 58.31 58.78 2giw n LYS 27 Cb 0.00 -1.93 0.11 0.00 0.02 0.00 0.00 35.03 33.23 2giw n LYS 27 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2giw n THR 28 N -5.30 1.35 0.00 3.15 -1.04 -1.26 -5.01 114.28 106.17 2giw n THR 28 Ca 0.15 -1.80 0.00 0.00 -2.04 0.00 0.00 64.05 60.36 2giw n THR 28 Cb 0.47 0.03 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 2giw n THR 28 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2giw n GLY 29 N -0.90 0.04 3.69 3.41 0.00 0.65 -4.78 105.19 107.30 2giw n GLY 29 Ca 0.12 0.71 -0.44 0.00 0.00 0.00 0.00 46.02 46.42 2giw n GLY 29 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2giw n PRO 30 N 0.00 2.61 -1.59 1.61 -0.04 -1.24 -2.10 135.00 134.25 2giw n PRO 30 Ca 0.00 0.95 -0.59 0.00 -0.04 0.00 0.00 63.50 63.82 2giw n PRO 30 Cb 0.00 -2.81 -0.09 0.00 -0.04 0.00 0.00 33.50 30.56 2giw n PRO 30 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2giw n ASN 31 N 5.30 1.85 -2.10 3.54 5.15 0.15 -4.80 115.26 124.35 2giw n ASN 31 Ca 0.18 0.90 -0.13 0.00 -0.60 0.00 0.00 54.58 54.93 2giw n ASN 31 Cb 0.35 -1.08 -0.16 0.00 -0.53 0.00 0.00 39.78 38.37 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2giw n LEU 32 N 6.38 5.32 -4.43 1.20 4.77 -1.26 -4.79 117.00 124.19 2giw n LEU 32 Ca 0.35 -3.18 -0.44 0.00 -0.03 0.00 0.00 56.01 52.71 2giw n LEU 32 Cb 0.08 -1.39 -0.02 0.00 -2.33 0.00 0.00 43.42 39.77 2giw n LEU 32 CO 0.83 1.66 1.00 -2.28 -1.33 0.00 0.00 177.39 177.27 2giw s HIS 33 N 1.14 3.43 0.00 -1.77 2.46 -1.26 -4.38 115.29 114.91 2giw s HIS 33 Ca 0.65 -1.81 0.00 0.00 0.47 0.00 0.00 55.06 54.37 2giw s HIS 33 Cb 0.30 -4.19 0.00 0.00 -0.13 0.00 0.00 32.58 28.57 2giw s HIS 33 CO -0.00 -1.34 0.00 0.41 -2.47 0.00 0.00 174.74 171.33 2giw n GLY 34 N 4.62 -0.61 0.54 1.59 0.00 -1.26 -5.08 105.19 104.99 2giw n GLY 34 Ca 0.26 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 2giw n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2giw n LEU 35 N 0.00 1.48 -4.56 0.99 4.32 -1.26 -4.60 117.00 113.37 2giw n LEU 35 Ca 0.00 0.23 -0.29 0.00 -0.02 0.00 0.00 56.01 55.93 2giw n LEU 35 Cb 0.00 -0.54 -0.05 0.00 -1.62 0.00 0.00 43.42 41.22 2giw n LEU 35 CO 0.00 -0.50 1.44 -0.36 -1.22 0.00 0.00 177.39 176.74 2giw s PHE 36 N -2.41 1.66 0.00 -1.77 0.40 -1.17 -0.26 117.98 114.44 2giw s PHE 36 Ca -0.15 0.86 0.00 0.00 -0.60 0.00 0.00 56.93 57.05 2giw s PHE 36 Cb 0.02 -3.97 0.00 0.00 0.51 0.00 0.00 43.02 39.58 2giw s PHE 36 CO 0.22 -1.92 0.00 0.41 0.70 0.00 0.00 175.22 174.63 2giw n GLY 37 N 6.50 1.10 3.49 4.36 0.00 -0.87 -5.03 105.19 114.75 2giw n GLY 37 Ca 0.35 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.28 3.23 -0.72 1.61 6.06 0.65 -4.97 118.95 124.53 2giw s ARG 38 Ca 0.00 -0.55 -0.29 0.00 -2.50 0.00 0.00 55.73 52.38 2giw s ARG 38 Cb 0.00 -4.03 -0.15 0.00 0.06 0.00 0.00 34.95 30.83 2giw s ARG 38 CO 0.00 -1.19 2.53 0.36 -2.50 0.00 0.00 175.30 174.49 2giw n LYS 39 N 6.47 0.54 -1.57 5.12 2.85 -1.26 -3.09 118.16 127.21 2giw n LYS 39 Ca -0.03 0.02 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 2giw n LYS 39 Cb 0.47 -2.41 0.10 0.00 -0.65 0.00 0.00 35.03 32.53 2giw n LYS 39 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2giw s THR 40 N 10.18 2.80 0.00 0.58 2.01 0.05 -4.27 115.64 127.00 2giw s THR 40 Ca 1.17 0.26 0.00 0.00 0.31 0.00 0.00 61.69 63.43 2giw s THR 40 Cb -0.77 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2giw s THR 40 CO 0.40 -0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2giw n GLY 41 N -2.20 0.48 3.14 4.40 0.00 -1.26 -3.86 105.19 105.90 2giw n GLY 41 Ca 0.07 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.21 2giw n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2giw s GLN 42 N -2.24 0.42 -0.42 1.61 -0.21 -1.26 -4.75 119.66 112.80 2giw s GLN 42 Ca 0.00 0.37 0.02 0.00 0.02 0.00 0.00 55.36 55.77 2giw s GLN 42 Cb 0.00 0.18 0.15 0.00 1.00 0.00 0.00 33.01 34.34 2giw s GLN 42 CO 0.00 -0.77 0.30 0.00 -2.12 0.00 0.00 175.29 172.69 2giw s ALA 43 N 2.82 1.60 -1.14 6.09 0.00 -1.26 -5.00 121.76 124.87 2giw s ALA 43 Ca 0.16 -2.42 -0.22 0.00 0.00 0.00 0.00 51.96 49.49 2giw s ALA 43 Cb -0.07 -1.70 -0.08 0.00 0.00 0.00 0.00 23.12 21.27 2giw s ALA 43 CO -0.24 -2.04 1.92 -0.35 0.00 0.00 0.00 175.76 175.04 2giw n PRO 44 N 3.26 1.74 0.00 0.00 -0.04 -1.26 -2.87 135.00 135.84 2giw n PRO 44 Ca 0.20 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 2giw n PRO 44 Cb 0.41 -3.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.28 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 5.55 -0.34 1.16 0.55 0.00 -1.26 -5.03 105.19 105.82 2giw n GLY 45 Ca 0.46 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.24 -0.16 -0.85 1.61 7.35 -1.16 -5.15 117.46 116.86 2giw n PHE 46 Ca 0.00 0.03 0.02 0.00 -0.76 0.00 0.00 57.45 56.73 2giw n PHE 46 Cb 0.00 0.08 -0.00 0.00 0.35 0.00 0.00 39.48 39.90 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 -2.92 0.00 -4.10 -2.13 5.66 -1.14 -5.04 114.28 104.62 2giw n THR 47 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 2giw n THR 47 Cb 0.00 -0.04 -0.04 0.00 -1.55 0.00 0.00 70.33 68.70 2giw n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2giw n TYR 48 N -0.78 -0.50 -1.51 1.09 0.18 -1.26 -5.06 117.16 109.32 2giw n TYR 48 Ca 0.00 -1.42 -0.45 0.00 1.88 0.00 0.00 57.90 57.92 2giw n TYR 48 Cb 0.05 0.17 -0.01 0.00 -0.38 0.00 0.00 39.34 39.17 2giw n TYR 48 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2giw n THR 49 N -0.32 1.96 -0.34 -3.48 -2.24 -1.26 -4.57 114.28 104.03 2giw n THR 49 Ca 0.03 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.42 2giw n THR 49 Cb 0.31 -0.66 0.23 0.00 -2.10 0.00 0.00 70.33 68.11 2giw n THR 49 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2giw h ASP 50 N 1.47 -0.63 -0.91 3.42 2.03 -1.95 0.35 116.42 120.19 2giw h ASP 50 Ca -0.37 0.28 0.16 0.00 -0.73 0.00 0.00 57.03 56.38 2giw h ASP 50 Cb 1.38 0.53 -0.10 0.00 -0.83 0.00 0.00 39.33 40.30 2giw h ASP 50 CO 0.58 -0.34 0.51 0.00 -1.03 0.00 0.00 179.24 178.95 2giw h ALA 51 N 1.97 1.43 0.00 4.15 0.00 -1.90 0.52 119.26 125.44 2giw h ALA 51 Ca 0.55 0.08 -0.28 0.00 0.00 0.00 0.00 54.91 55.26 2giw h ALA 51 Cb 1.03 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2giw h ALA 51 CO -0.94 -0.07 -1.86 -1.71 0.00 0.00 0.00 179.25 174.67 2giw n ASN 52 N -4.83 0.59 0.22 0.00 2.85 -0.41 -3.87 115.26 109.81 2giw n ASN 52 Ca 0.20 0.27 0.09 0.00 -0.11 0.00 0.00 54.58 55.03 2giw n ASN 52 Cb 0.49 0.37 0.49 0.00 1.24 0.00 0.00 39.78 42.37 2giw n ASN 52 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2giw h LYS 53 N 0.00 0.00 0.00 1.20 3.64 0.35 -2.18 116.57 119.58 2giw h LYS 53 Ca -0.33 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.97 2giw h LYS 53 Cb 1.96 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.77 2giw h LYS 53 CO 0.06 0.24 -0.39 -0.97 -2.27 0.00 0.00 179.45 176.11 2giw h ASN 54 N 0.00 0.00 -0.60 4.20 -0.73 -0.10 -3.38 115.58 114.97 2giw h ASN 54 Ca -0.00 0.00 0.09 0.00 1.87 0.00 0.00 56.30 58.26 2giw h ASN 54 Cb 0.68 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.20 2giw h ASN 54 CO 0.03 0.39 0.22 0.50 -0.37 0.00 0.00 177.43 178.20 2giw h LYS 55 N 0.00 0.38 -3.98 6.67 3.11 -1.51 -3.46 116.57 117.78 2giw h LYS 55 Ca -0.00 -0.02 -0.39 0.00 -2.81 0.00 0.00 60.65 57.42 2giw h LYS 55 Cb 0.88 -0.09 0.04 0.00 -1.00 0.00 0.00 32.23 32.07 2giw h LYS 55 CO 0.05 0.25 -0.56 0.41 -2.81 0.00 0.00 179.45 176.79 2giw n GLY 56 N -1.29 -0.46 0.00 5.01 0.00 -1.25 -4.98 105.19 102.21 2giw n GLY 56 Ca 0.09 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.38 0.00 -2.38 -0.61 -5.35 -1.26 -4.81 119.36 100.57 2giw n ILE 57 Ca -0.13 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.39 2giw n ILE 57 Cb 0.63 -1.15 0.04 0.00 -1.74 0.00 0.00 39.64 37.42 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 0.00 0.24 -1.77 7.28 -1.04 -1.26 -0.77 114.28 116.97 2giw n THR 58 Ca 0.00 -1.21 0.00 0.00 -2.04 0.00 0.00 64.05 60.80 2giw n THR 58 Cb 0.00 0.84 0.00 0.00 -1.82 0.00 0.00 70.33 69.35 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 0.30 0.00 -3.44 -1.42 5.03 -1.18 -2.05 117.44 114.69 2giw n TRP 59 Ca 0.07 0.00 -0.21 0.00 3.03 0.00 0.00 57.50 60.39 2giw n TRP 59 Cb 1.08 0.00 0.00 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 -1.29 2.46 0.00 -0.99 -2.85 -1.26 -3.04 119.74 112.77 2giw s LYS 60 Ca 0.00 -1.63 0.08 0.00 -1.00 0.00 0.00 55.97 53.41 2giw s LYS 60 Cb 0.00 -2.43 0.45 0.00 -2.06 0.00 0.00 37.83 33.80 2giw s LYS 60 CO 0.00 -0.46 0.86 -1.91 0.10 0.00 0.00 175.35 173.94 2giw n GLU 61 N -1.81 0.33 -0.12 1.78 2.13 -1.26 -1.01 120.64 120.69 2giw n GLU 61 Ca 0.06 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.71 2giw n GLU 61 Cb 0.62 -1.36 -0.11 0.00 0.27 0.00 0.00 31.44 30.86 2giw n GLU 61 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2giw n GLU 62 N -0.86 0.61 0.04 5.31 1.02 -1.26 -4.46 120.64 121.04 2giw n GLU 62 Ca 0.06 0.14 -0.20 0.00 -0.02 0.00 0.00 57.16 57.14 2giw n GLU 62 Cb 0.03 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.81 2giw n GLU 62 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2giw h THR 63 N -0.03 0.84 -0.68 2.62 1.35 -1.59 -3.19 112.91 112.23 2giw h THR 63 Ca -0.55 -2.50 0.06 0.00 -0.55 0.00 0.00 66.41 62.87 2giw h THR 63 Cb 1.84 2.64 -0.06 0.00 -1.73 0.00 0.00 68.15 70.85 2giw h THR 63 CO -0.09 0.84 0.39 -0.07 -0.25 0.00 0.00 175.52 176.34 2giw h LEU 64 N 0.08 0.58 0.25 3.87 4.07 -1.35 -0.97 115.31 121.84 2giw h LEU 64 Ca -0.36 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.63 2giw h LEU 64 Cb 2.06 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 43.69 2giw h LEU 64 CO 0.13 0.38 -0.24 0.24 -1.08 0.00 0.00 178.44 177.87 2giw h MET 65 N 0.72 -0.50 -0.42 1.13 2.86 -1.78 0.23 114.93 117.17 2giw h MET 65 Ca 0.30 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 58.04 2giw h MET 65 Cb 0.18 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 2giw h MET 65 CO -0.18 -0.33 0.11 1.49 1.06 0.00 0.00 176.91 179.06 2giw h GLU 66 N -0.52 0.25 0.32 1.72 4.57 -1.46 -0.32 114.58 119.14 2giw h GLU 66 Ca -0.01 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2giw h GLU 66 Cb 0.48 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2giw h GLU 66 CO -0.05 0.16 -0.16 -0.92 -1.18 0.00 0.00 179.01 176.87 2giw h TYR 67 N 0.25 -0.40 -0.87 0.92 3.20 -0.98 -2.11 116.97 116.98 2giw h TYR 67 Ca 0.20 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.15 2giw h TYR 67 Cb 0.23 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 2giw h TYR 67 CO -0.18 -0.25 0.57 -0.07 -1.64 0.00 0.00 178.16 176.58 2giw h LEU 68 N -0.43 0.79 -0.78 2.82 -0.00 -0.86 0.35 115.31 117.20 2giw h LEU 68 Ca -0.04 0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.80 2giw h LEU 68 Cb 0.33 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.81 2giw h LEU 68 CO 0.07 0.48 0.26 -0.08 -0.00 0.00 0.00 178.44 179.17 2giw h GLU 69 N 0.88 1.18 -1.11 1.13 4.22 -1.07 -3.40 114.58 116.42 2giw h GLU 69 Ca 0.40 -0.24 -0.33 0.00 0.08 0.00 0.00 59.36 59.27 2giw h GLU 69 Cb 0.37 -0.18 -0.24 0.00 0.50 0.00 0.00 28.75 29.21 2giw h GLU 69 CO -0.16 0.98 -0.69 -1.71 -2.18 0.00 0.00 179.01 175.25 2giw n ASN 70 N -4.26 -2.09 -0.11 1.04 4.05 -0.40 -4.88 115.26 108.62 2giw n ASN 70 Ca 0.06 -2.90 -0.12 0.00 0.45 0.00 0.00 54.58 52.07 2giw n ASN 70 Cb 0.22 0.93 -0.03 0.00 1.23 0.00 0.00 39.78 42.12 2giw n ASN 70 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2giw h PRO 71 N 4.61 0.72 -0.55 1.20 0.13 -0.58 0.83 132.00 138.37 2giw h PRO 71 Ca 0.03 -0.34 0.12 0.00 -0.87 0.00 0.00 66.00 64.94 2giw h PRO 71 Cb 1.01 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.10 2giw h PRO 71 CO 0.26 0.95 0.38 -0.22 -0.23 0.00 0.00 178.00 179.14 2giw h LYS 72 N 0.49 0.20 0.06 0.86 3.64 -1.80 -0.76 116.57 119.26 2giw h LYS 72 Ca 0.06 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 2giw h LYS 72 Cb 0.77 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2giw h LYS 72 CO 0.06 0.13 -0.71 -0.22 -2.27 0.00 0.00 179.45 176.44 2giw h LYS 73 N 0.20 0.13 -0.65 1.90 3.64 -1.30 -2.78 116.57 117.71 2giw h LYS 73 Ca 0.26 -0.22 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2giw h LYS 73 Cb 0.75 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.59 2giw h LYS 73 CO -0.05 1.11 0.36 -0.92 -2.27 0.00 0.00 179.45 177.68 2giw h TYR 74 N -0.69 0.66 -2.64 1.91 3.20 -0.71 -3.36 116.97 115.35 2giw h TYR 74 Ca -0.16 0.02 -0.60 0.00 3.14 0.00 0.00 58.73 61.14 2giw h TYR 74 Cb 1.38 -0.20 -0.39 0.00 1.54 0.00 0.00 36.73 39.05 2giw h TYR 74 CO 0.20 0.32 -0.85 0.42 -1.64 0.00 0.00 178.16 176.61 2giw s ILE 75 N -6.10 0.79 -0.06 1.81 1.01 -0.32 -5.05 121.20 113.28 2giw s ILE 75 Ca -0.13 -2.55 -0.30 0.00 0.00 0.00 0.00 60.65 57.68 2giw s ILE 75 Cb 0.16 -1.55 -0.06 0.00 0.01 0.00 0.00 42.46 41.02 2giw s ILE 75 CO 0.76 -1.07 1.69 -2.16 0.00 0.00 0.00 174.94 174.16 2giw s PRO 76 N 0.24 4.12 0.00 2.79 0.04 -1.05 -1.95 135.00 139.19 2giw s PRO 76 Ca 0.25 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2giw s PRO 76 Cb -0.11 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2giw s PRO 76 CO -0.09 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.43 2giw n GLY 77 N 4.25 0.68 3.41 0.56 0.00 -1.26 -4.94 105.19 107.88 2giw n GLY 77 Ca 0.18 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 2giw n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2giw n THR 78 N -3.11 0.00 0.14 2.61 5.66 -0.82 -4.67 114.28 114.08 2giw n THR 78 Ca 0.00 -0.45 0.01 0.00 -3.05 0.00 0.00 64.05 60.56 2giw n THR 78 Cb 0.25 -0.93 0.15 0.00 -1.55 0.00 0.00 70.33 68.25 2giw n THR 78 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2giw h LYS 79 N -2.72 0.00 -7.03 1.09 1.63 -1.91 -3.46 116.57 104.17 2giw h LYS 79 Ca -0.61 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 58.69 2giw h LYS 79 Cb 1.34 0.00 0.05 0.00 -0.60 0.00 0.00 32.23 33.02 2giw h LYS 79 CO 0.47 0.58 0.44 1.41 -3.45 0.00 0.00 179.45 178.90 2giw s MET 80 N -3.33 3.73 -0.37 1.90 1.75 -1.26 -5.03 119.30 116.69 2giw s MET 80 Ca 0.01 1.62 0.01 0.00 -1.25 0.00 0.00 55.69 56.07 2giw s MET 80 Cb 0.11 -2.27 0.12 0.00 2.84 0.00 0.00 34.83 35.63 2giw s MET 80 CO 0.74 -0.54 0.17 0.42 -0.65 0.00 0.00 175.02 175.16 2giw s ILE 81 N -1.70 1.07 0.24 10.11 -1.09 -1.26 -4.96 121.20 123.62 2giw s ILE 81 Ca 0.66 -1.96 -0.19 0.00 -2.23 0.00 0.00 60.65 56.93 2giw s ILE 81 Cb -0.24 -1.78 0.02 0.00 -1.58 0.00 0.00 42.46 38.89 2giw s ILE 81 CO 0.29 -0.80 0.62 0.12 -1.23 0.00 0.00 174.94 173.93 2giw s PHE 82 N 0.99 -0.10 0.44 3.97 5.36 -1.26 -5.11 117.98 122.28 2giw s PHE 82 Ca 0.14 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 55.82 2giw s PHE 82 Cb -0.21 0.52 0.00 0.00 -0.34 0.00 0.00 43.02 42.99 2giw s PHE 82 CO -0.11 -1.08 0.00 0.00 -1.46 0.00 0.00 175.22 172.57 2giw n ALA 83 N -0.41 0.97 -2.86 11.12 0.00 -1.26 -4.45 120.51 123.62 2giw n ALA 83 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 2giw n ALA 83 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 2giw n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2giw s GLY 84 N -2.97 -0.12 0.00 0.00 0.00 -1.26 -4.63 107.32 98.33 2giw s GLY 84 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.51 2giw s GLY 84 CO 0.00 -0.44 0.00 4.51 0.00 0.00 0.00 173.10 177.17 2giw n ILE 85 N 0.02 0.00 0.00 0.90 3.06 -1.26 -5.07 119.36 117.01 2giw n ILE 85 Ca -0.16 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.09 2giw n ILE 85 Cb 0.62 -0.10 0.00 0.00 0.54 0.00 0.00 39.64 40.70 2giw n ILE 85 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 2giw n LYS 86 N -1.69 0.00 0.08 9.51 4.81 -1.26 -5.09 118.16 124.52 2giw n LYS 86 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2giw n LYS 86 Cb 0.04 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.09 2giw n LYS 86 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2giw n LYS 87 N -1.80 0.00 0.00 1.64 4.81 -1.26 -5.04 118.16 116.51 2giw n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2giw n LYS 87 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2giw n LYS 87 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2giw n LYS 88 N -2.73 0.00 -0.36 1.64 4.76 -1.26 -4.89 118.16 115.32 2giw n LYS 88 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 2giw n LYS 88 Cb 0.00 -0.04 0.18 0.00 -1.84 0.00 0.00 35.03 33.33 2giw n LYS 88 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2giw h THR 89 N 0.00 1.05 -0.97 -0.18 2.02 -2.00 -3.06 112.91 109.77 2giw h THR 89 Ca 0.00 -0.38 0.14 0.00 0.77 0.00 0.00 66.41 66.94 2giw h THR 89 Cb 0.00 -0.16 -0.15 0.00 -1.74 0.00 0.00 68.15 66.10 2giw h THR 89 CO 0.00 0.20 -0.42 1.05 0.37 0.00 0.00 175.52 176.73 2giw h GLU 90 N 1.11 -0.01 -0.32 6.66 -0.00 -1.97 0.28 114.58 120.33 2giw h GLU 90 Ca 0.44 0.00 0.09 0.00 -0.00 0.00 0.00 59.36 59.89 2giw h GLU 90 Cb 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.97 2giw h GLU 90 CO -0.19 -0.01 0.37 0.07 -0.00 0.00 0.00 179.01 179.24 2giw h ARG 91 N -0.02 0.00 0.00 1.06 0.11 -1.91 0.10 114.38 113.73 2giw h ARG 91 Ca 0.31 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.34 2giw h ARG 91 Cb 0.57 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.64 2giw h ARG 91 CO -0.96 0.00 -1.91 -1.91 0.10 0.00 0.00 179.97 175.28 2giw n GLU 92 N -3.69 0.66 -0.09 0.08 4.07 0.72 -4.10 120.64 118.29 2giw n GLU 92 Ca 0.05 -0.12 -0.13 0.00 -0.06 0.00 0.00 57.16 56.90 2giw n GLU 92 Cb 0.52 -1.57 -0.05 0.00 -0.06 0.00 0.00 31.44 30.28 2giw n GLU 92 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2giw n ASP 93 N -2.40 1.86 -0.03 4.31 -0.08 0.27 0.48 116.55 120.96 2giw n ASP 93 Ca -0.08 0.49 -0.08 0.00 -1.51 0.00 0.00 54.79 53.61 2giw n ASP 93 Cb 0.66 -0.87 -0.02 0.00 2.34 0.00 0.00 41.12 43.23 2giw n ASP 93 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2giw h LEU 94 N -1.00 -0.52 0.00 -2.67 -0.00 -1.13 0.43 115.31 110.42 2giw h LEU 94 Ca -0.18 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2giw h LEU 94 Cb 0.94 0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 2giw h LEU 94 CO -0.11 -0.20 0.00 -0.38 -0.00 0.00 0.00 178.44 177.75 2giw n ILE 95 N -5.32 0.97 -0.05 1.22 -0.00 -1.26 -1.27 119.36 113.65 2giw n ILE 95 Ca -0.02 0.24 -0.21 0.00 -0.00 0.00 0.00 62.75 62.76 2giw n ILE 95 Cb 0.23 -0.98 -0.13 0.00 -0.00 0.00 0.00 39.64 38.76 2giw n ILE 95 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2giw n ALA 96 N -1.50 1.02 0.08 -1.39 0.00 -0.05 -3.24 120.51 115.43 2giw n ALA 96 Ca 0.04 -0.72 -0.13 0.00 0.00 0.00 0.00 53.44 52.63 2giw n ALA 96 Cb 0.17 -0.48 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.15 -0.96 0.00 0.00 3.20 -0.54 -2.32 116.97 116.19 2giw h TYR 97 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2giw h TYR 97 Cb 1.88 0.42 0.00 0.00 1.54 0.00 0.00 36.73 40.57 2giw h TYR 97 CO 0.06 -0.44 0.00 -0.07 -1.64 0.00 0.00 178.16 176.07 2giw h LEU 98 N -0.53 0.00 -1.46 2.82 3.38 -1.33 0.21 115.31 118.40 2giw h LEU 98 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2giw h LEU 98 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2giw h LEU 98 CO -0.25 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.39 2giw h LYS 99 N 0.00 0.00 0.00 1.13 1.57 -1.39 -1.04 116.57 116.84 2giw h LYS 99 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 2giw h LYS 99 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2giw h LYS 99 CO 0.00 0.00 -1.98 0.36 -0.57 0.00 0.00 179.45 177.26 2giw n LYS 100 N -3.02 1.43 -0.02 3.15 2.85 0.13 -4.58 118.16 118.10 2giw n LYS 100 Ca 0.01 -0.03 -0.03 0.00 -1.05 0.00 0.00 58.31 57.21 2giw n LYS 100 Cb 0.29 -1.38 0.20 0.00 -0.65 0.00 0.00 35.03 33.49 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 0.83 1.13 0.00 0.58 0.00 -0.48 0.28 119.26 121.60 2giw h ALA 101 Ca -0.35 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2giw h ALA 101 Cb 1.77 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2giw h ALA 101 CO 0.02 0.54 0.00 -2.37 0.00 0.00 0.00 179.25 177.44 2giw n THR 102 N -4.17 1.68 -2.93 0.00 5.66 -0.41 -3.34 114.28 110.77 2giw n THR 102 Ca 0.01 0.52 -0.13 0.00 -3.05 0.00 0.00 64.05 61.39 2giw n THR 102 Cb 0.35 -1.49 0.03 0.00 -1.55 0.00 0.00 70.33 67.67 2giw n THR 102 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2giw n ASN 103 N -1.67 -1.14 0.00 1.09 5.15 0.00 -4.23 115.26 114.45 2giw n ASN 103 Ca 0.00 -3.32 0.00 0.00 -0.60 0.00 0.00 54.58 50.66 2giw n ASN 103 Cb 0.03 0.84 0.00 0.00 -0.53 0.00 0.00 39.78 40.12 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82