#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2giw s ASP 2 N 0.00 2.61 0.14 1.61 1.01 -1.26 -4.66 116.67 116.12 2giw s ASP 2 Ca 0.00 -1.00 -0.07 0.00 0.71 0.00 0.00 52.55 52.19 2giw s ASP 2 Cb 0.00 -0.14 -0.05 0.00 1.01 0.00 0.00 42.92 43.74 2giw s ASP 2 CO 0.00 -0.15 1.36 1.62 0.21 0.00 0.00 175.17 178.21 2giw h VAL 3 N 2.63 1.34 0.61 -1.27 3.04 -1.81 0.31 116.25 121.09 2giw h VAL 3 Ca -0.38 -2.11 -0.03 0.00 -1.01 0.00 0.00 66.70 63.17 2giw h VAL 3 Cb 1.22 2.10 -0.00 0.00 -2.01 0.00 0.00 31.29 32.60 2giw h VAL 3 CO 0.61 0.65 -0.35 -0.33 -1.01 0.00 0.00 177.57 177.13 2giw h GLU 4 N 0.38 -0.87 -0.09 4.17 4.39 -1.96 0.12 114.58 120.72 2giw h GLU 4 Ca -0.05 0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2giw h GLU 4 Cb 1.39 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 30.23 2giw h GLU 4 CO 0.15 -0.58 -0.01 0.87 -1.16 0.00 0.00 179.01 178.28 2giw h LYS 5 N -0.90 0.16 -0.37 2.33 1.79 -1.95 -3.10 116.57 114.54 2giw h LYS 5 Ca -0.08 -0.06 0.08 0.00 -2.18 0.00 0.00 60.65 58.41 2giw h LYS 5 Cb 0.72 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.28 2giw h LYS 5 CO 0.09 0.45 -0.12 0.78 -1.08 0.00 0.00 179.45 179.58 2giw h GLY 6 N -0.14 0.22 1.89 3.86 0.00 -0.20 -0.01 103.07 108.67 2giw h GLY 6 Ca 0.02 0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.40 2giw h GLY 6 CO 0.01 -0.16 -0.45 0.07 0.00 0.00 0.00 176.54 176.01 2giw h LYS 7 N -0.04 0.13 -0.01 4.80 2.10 -0.83 0.18 116.57 122.90 2giw h LYS 7 Ca 0.18 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.76 2giw h LYS 7 Cb 0.31 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.65 2giw h LYS 7 CO -0.40 0.55 -0.01 -0.22 -2.00 0.00 0.00 179.45 177.37 2giw h LYS 8 N 0.11 0.02 -0.38 0.07 1.63 -1.30 -0.68 116.57 116.03 2giw h LYS 8 Ca 0.01 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 2giw h LYS 8 Cb 0.84 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 2giw h LYS 8 CO 0.06 0.56 0.04 0.82 -3.45 0.00 0.00 179.45 177.48 2giw h ILE 9 N -0.51 1.25 -0.07 2.00 2.04 -0.87 0.50 117.51 121.86 2giw h ILE 9 Ca 0.00 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 64.98 2giw h ILE 9 Cb 0.55 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2giw h ILE 9 CO 0.00 0.30 -0.25 0.15 0.00 0.00 0.00 178.15 178.36 2giw h PHE 10 N 0.48 -0.74 -0.86 1.37 3.57 -0.70 -1.22 116.94 118.84 2giw h PHE 10 Ca 0.11 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.79 2giw h PHE 10 Cb 0.40 0.33 -0.07 0.00 2.79 0.00 0.00 35.95 39.40 2giw h PHE 10 CO 0.03 -0.25 0.56 0.28 -2.23 0.00 0.00 178.31 176.70 2giw h VAL 11 N -0.26 0.81 -0.66 1.41 2.07 -0.79 0.78 116.25 119.60 2giw h VAL 11 Ca 0.02 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.41 2giw h VAL 11 Cb 0.31 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 2giw h VAL 11 CO -0.20 0.11 0.32 -0.61 0.02 0.00 0.00 177.57 177.21 2giw h GLN 12 N 0.59 0.55 0.00 1.57 4.15 -0.26 -3.30 115.11 118.42 2giw h GLN 12 Ca 0.43 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.67 2giw h GLN 12 Cb 0.80 -0.12 -0.30 0.00 0.21 0.00 0.00 27.48 28.06 2giw h GLN 12 CO -0.18 0.36 -0.86 0.36 -1.93 0.00 0.00 178.83 176.58 2giw n LYS 13 N -4.88 0.00 0.00 1.69 -0.00 0.46 -4.84 118.16 110.60 2giw n LYS 13 Ca 0.09 -1.71 0.00 0.00 -0.00 0.00 0.00 58.31 56.69 2giw n LYS 13 Cb 0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 35.03 35.26 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 2.31 -1.25 0.00 0.00 -1.59 0.24 119.26 118.98 2giw h ALA 15 Ca 0.00 0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.28 2giw h ALA 15 Cb 0.24 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 2giw h ALA 15 CO 0.00 -0.58 0.85 0.37 0.00 0.00 0.00 179.25 179.89 2giw h GLN 16 N 0.32 0.15 0.01 0.00 4.15 -1.89 -1.33 115.11 116.51 2giw h GLN 16 Ca 0.44 -0.01 -0.40 0.00 0.77 0.00 0.00 58.65 59.45 2giw h GLN 16 Cb 1.21 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.80 2giw h GLN 16 CO -0.13 0.10 -2.43 0.00 -1.93 0.00 0.00 178.83 174.43 2giw n HIS 18 N -3.42 3.47 -1.34 0.00 8.25 -0.29 -1.64 115.22 120.24 2giw n HIS 18 Ca -0.46 -4.26 -0.39 0.00 -0.26 0.00 0.00 57.72 52.35 2giw n HIS 18 Cb 0.98 -0.72 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 2giw n HIS 18 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2giw n THR 19 N 1.93 4.26 -1.35 1.59 -2.24 -1.15 -4.10 114.28 113.21 2giw n THR 19 Ca 0.21 -2.61 -0.39 0.00 -2.27 0.00 0.00 64.05 58.99 2giw n THR 19 Cb 0.36 -2.62 -0.03 0.00 -2.10 0.00 0.00 70.33 65.94 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 3.69 4.32 0.00 2.28 3.14 -1.26 -3.44 118.33 127.06 2giw n VAL 20 Ca 0.77 -2.66 0.00 0.00 -2.96 0.00 0.00 64.34 59.49 2giw n VAL 20 Cb 0.24 -2.60 0.00 0.00 -1.06 0.00 0.00 33.84 30.42 2giw n VAL 20 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2giw n GLU 21 N 3.63 0.00 -0.95 1.45 2.13 -1.26 -4.91 120.64 120.73 2giw n GLU 21 Ca 0.77 0.00 0.02 0.00 0.66 0.00 0.00 57.16 58.61 2giw n GLU 21 Cb 0.24 -0.32 0.16 0.00 0.27 0.00 0.00 31.44 31.78 2giw n GLU 21 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2giw n LYS 22 N -1.91 1.60 -3.22 5.31 2.85 -1.24 -5.04 118.16 116.51 2giw n LYS 22 Ca 0.00 -3.23 -0.10 0.00 -1.05 0.00 0.00 58.31 53.93 2giw n LYS 22 Cb 0.02 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 2giw n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2giw n GLY 23 N -0.82 -1.16 0.00 2.58 0.00 -1.24 -5.03 105.19 99.52 2giw n GLY 23 Ca 0.20 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 -1.35 -0.01 2.54 -0.02 0.00 -1.22 -5.04 105.19 100.08 2giw n GLY 24 Ca -0.06 -1.50 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 2giw n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2giw n LYS 25 N 0.00 1.89 0.00 1.61 4.01 -1.26 -4.98 118.16 119.43 2giw n LYS 25 Ca 0.00 -3.80 0.00 0.00 -0.51 0.00 0.00 58.31 54.00 2giw n LYS 25 Cb 0.00 -1.74 0.00 0.00 -0.51 0.00 0.00 35.03 32.78 2giw n LYS 25 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2giw n HIS 26 N -0.08 0.00 0.00 2.13 8.25 -1.26 -4.80 115.22 119.46 2giw n HIS 26 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 2giw n HIS 26 Cb 0.67 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.78 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 0.00 0.00 0.00 -0.41 4.81 -1.26 -1.62 118.16 119.68 2giw n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2giw n LYS 27 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 0.00 0.00 -3.68 3.15 -1.04 -1.26 -5.02 114.28 106.43 2giw n THR 28 Ca 0.00 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.05 61.65 2giw n THR 28 Cb 0.00 0.77 -0.10 0.00 -1.82 0.00 0.00 70.33 69.18 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 -1.35 -0.40 0.22 3.41 0.00 -0.64 -4.89 107.32 103.66 2giw s GLY 29 Ca 0.00 1.72 -0.32 0.00 0.00 0.00 0.00 44.72 46.12 2giw s GLY 29 CO 0.00 1.94 1.48 -1.05 0.00 0.00 0.00 173.10 175.47 2giw n PRO 30 N 4.43 2.13 -1.67 2.90 -0.02 -1.26 -4.30 135.00 137.20 2giw n PRO 30 Ca -0.21 0.76 -0.45 0.00 -2.02 0.00 0.00 63.50 61.58 2giw n PRO 30 Cb 0.55 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 2giw n PRO 30 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2giw n ASN 31 N 2.59 3.74 -1.62 2.55 0.23 -1.26 -4.82 115.26 116.67 2giw n ASN 31 Ca 0.13 0.96 -0.02 0.00 -0.53 0.00 0.00 54.58 55.12 2giw n ASN 31 Cb 0.31 -1.45 -0.03 0.00 -2.08 0.00 0.00 39.78 36.53 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2giw n LEU 32 N 6.58 5.15 -4.58 -4.53 4.77 -1.26 -4.79 117.00 118.34 2giw n LEU 32 Ca 0.21 -2.49 -0.37 0.00 -0.03 0.00 0.00 56.01 53.33 2giw n LEU 32 Cb 0.34 -1.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.25 2giw n LEU 32 CO 0.70 1.11 1.77 -1.00 -1.33 0.00 0.00 177.39 178.64 2giw s HIS 33 N 0.27 2.43 0.00 -1.77 3.76 -1.26 -4.23 115.29 114.49 2giw s HIS 33 Ca 0.14 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 2giw s HIS 33 Cb 0.06 -4.44 0.00 0.00 1.11 0.00 0.00 32.58 29.31 2giw s HIS 33 CO 0.00 -1.56 0.00 0.41 -0.85 0.00 0.00 174.74 172.74 2giw n GLY 34 N 5.61 0.28 0.24 -2.22 0.00 -1.26 -5.07 105.19 102.76 2giw n GLY 34 Ca 0.47 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 1.56 -4.57 0.99 4.77 -1.26 -4.59 117.00 113.91 2giw n LEU 35 Ca 0.00 0.26 -0.40 0.00 -0.03 0.00 0.00 56.01 55.83 2giw n LEU 35 Cb 0.00 -0.64 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 2giw n LEU 35 CO 0.00 -0.37 1.47 -0.36 -1.33 0.00 0.00 177.39 176.80 2giw s PHE 36 N -2.52 1.90 0.00 -1.77 0.40 -1.13 -0.75 117.98 114.10 2giw s PHE 36 Ca -0.21 0.64 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 2giw s PHE 36 Cb 0.03 -4.20 0.00 0.00 0.51 0.00 0.00 43.02 39.36 2giw s PHE 36 CO 0.31 -2.34 0.00 0.41 0.70 0.00 0.00 175.22 174.30 2giw n GLY 37 N 5.50 0.80 3.56 4.36 0.00 -0.93 -5.03 105.19 113.46 2giw n GLY 37 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.00 3.68 -0.58 1.61 6.06 0.07 -5.01 118.95 123.78 2giw s ARG 38 Ca 0.00 -0.17 -0.26 0.00 -2.50 0.00 0.00 55.73 52.80 2giw s ARG 38 Cb 0.00 -3.78 -0.10 0.00 0.06 0.00 0.00 34.95 31.13 2giw s ARG 38 CO 0.00 -0.55 2.45 0.36 -2.50 0.00 0.00 175.30 175.06 2giw n LYS 39 N 5.59 0.86 -0.98 5.12 2.85 -1.26 -3.57 118.16 126.76 2giw n LYS 39 Ca -0.06 -0.07 -0.34 0.00 -1.05 0.00 0.00 58.31 56.79 2giw n LYS 39 Cb 0.49 -3.20 0.11 0.00 -0.65 0.00 0.00 35.03 31.79 2giw n LYS 39 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2giw n THR 40 N 7.97 0.91 -0.87 0.58 -1.04 0.76 -4.16 114.28 118.44 2giw n THR 40 Ca 0.42 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2giw n THR 40 Cb 0.47 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 2giw n THR 40 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2giw n GLY 41 N 1.25 1.25 3.15 3.41 0.00 -1.25 -3.66 105.19 109.35 2giw n GLY 41 Ca 0.09 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.27 0.32 0.28 1.61 0.74 -1.26 -4.95 119.66 114.14 2giw s GLN 42 Ca 0.00 0.36 0.12 0.00 0.05 0.00 0.00 55.36 55.89 2giw s GLN 42 Cb 0.00 0.17 -0.05 0.00 1.10 0.00 0.00 33.01 34.23 2giw s GLN 42 CO 0.00 -0.56 -0.17 0.00 -0.55 0.00 0.00 175.29 174.00 2giw s ALA 43 N 2.91 2.81 0.09 1.58 0.00 -1.26 -5.01 121.76 122.87 2giw s ALA 43 Ca 0.18 -1.85 -0.17 0.00 0.00 0.00 0.00 51.96 50.13 2giw s ALA 43 Cb -0.06 -0.33 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 2giw s ALA 43 CO -0.23 0.28 1.49 -1.00 0.00 0.00 0.00 175.76 176.30 2giw h PRO 44 N 2.22 0.58 0.00 0.00 0.13 -2.02 -3.41 132.00 129.51 2giw h PRO 44 Ca -0.41 -0.23 -0.20 0.00 -0.87 0.00 0.00 66.00 64.29 2giw h PRO 44 Cb 1.26 -0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 2giw h PRO 44 CO 0.60 0.79 -0.30 0.41 -0.23 0.00 0.00 178.00 179.26 2giw n GLY 45 N -0.14 1.35 0.00 1.56 0.00 -1.26 -5.01 105.19 101.69 2giw n GLY 45 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.78 0.00 -0.98 1.61 7.35 -1.26 -5.06 117.46 118.34 2giw n PHE 46 Ca -0.07 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.39 2giw n PHE 46 Cb 0.84 0.00 0.07 0.00 0.35 0.00 0.00 39.48 40.75 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 0.00 3.04 -3.71 -2.13 5.66 -1.26 -4.73 114.28 111.15 2giw n THR 47 Ca 0.00 -2.05 0.07 0.00 -3.05 0.00 0.00 64.05 59.02 2giw n THR 47 Cb 0.00 -1.11 -0.02 0.00 -1.55 0.00 0.00 70.33 67.65 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 -0.34 -2.57 -1.70 1.09 4.11 -1.26 -4.08 117.16 112.42 2giw n TYR 48 Ca 0.45 0.64 -0.41 0.00 -0.00 0.00 0.00 57.90 58.58 2giw n TYR 48 Cb 0.78 -0.99 0.02 0.00 -0.00 0.00 0.00 39.34 39.15 2giw n TYR 48 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2giw n THR 49 N -2.75 2.69 0.18 -3.48 -2.24 -1.26 -4.75 114.28 102.67 2giw n THR 49 Ca 0.00 -0.50 0.16 0.00 -2.27 0.00 0.00 64.05 61.44 2giw n THR 49 Cb 0.23 -1.54 0.78 0.00 -2.10 0.00 0.00 70.33 67.70 2giw n THR 49 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2giw h ASP 50 N 1.95 0.00 -0.28 3.42 3.58 -1.87 0.13 116.42 123.34 2giw h ASP 50 Ca -0.48 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 56.89 2giw h ASP 50 Cb 1.30 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 2giw h ASP 50 CO 0.59 0.00 -0.10 0.00 -2.88 0.00 0.00 179.24 176.85 2giw h ALA 51 N 1.81 1.08 0.17 -0.78 0.00 -1.91 0.46 119.26 120.09 2giw h ALA 51 Ca 0.10 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 2giw h ALA 51 Cb 0.49 -0.16 0.03 0.00 0.00 0.00 0.00 17.79 18.14 2giw h ALA 51 CO -0.00 0.57 -1.04 -0.97 0.00 0.00 0.00 179.25 177.81 2giw h ASN 52 N 0.63 0.61 -0.94 0.00 -0.73 -1.20 -3.29 115.58 110.67 2giw h ASN 52 Ca 0.11 -0.93 0.06 0.00 1.87 0.00 0.00 56.30 57.41 2giw h ASN 52 Cb 0.54 -0.20 -0.06 0.00 0.27 0.00 0.00 38.32 38.87 2giw h ASN 52 CO 0.03 1.50 0.60 0.50 -0.37 0.00 0.00 177.43 179.69 2giw h LYS 53 N -0.17 1.06 0.00 6.67 1.63 -0.80 -1.92 116.57 123.04 2giw h LYS 53 Ca -0.18 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 2giw h LYS 53 Cb 1.81 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 33.20 2giw h LYS 53 CO 0.20 0.70 0.00 -1.71 -3.45 0.00 0.00 179.45 175.18 2giw n ASN 54 N -4.55 0.00 0.29 4.20 5.15 0.16 -3.81 115.26 116.69 2giw n ASN 54 Ca 0.14 -1.22 -0.12 0.00 -0.60 0.00 0.00 54.58 52.78 2giw n ASN 54 Cb 0.18 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.37 2giw n ASN 54 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2giw h LYS 55 N 0.00 -0.76 -0.44 1.20 1.79 -1.45 -3.48 116.57 113.44 2giw h LYS 55 Ca 0.00 0.05 -0.19 0.00 -2.18 0.00 0.00 60.65 58.33 2giw h LYS 55 Cb 0.00 0.17 -0.07 0.00 -1.58 0.00 0.00 32.23 30.75 2giw h LYS 55 CO 0.00 -0.50 -0.17 0.41 -1.08 0.00 0.00 179.45 178.10 2giw n GLY 56 N -0.22 1.04 3.01 3.86 0.00 -1.24 -5.02 105.19 106.63 2giw n GLY 56 Ca -0.10 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.56 0.00 -1.70 -0.61 -5.35 -1.26 -4.74 119.36 103.14 2giw n ILE 57 Ca -0.09 -0.78 0.06 0.00 -0.27 0.00 0.00 62.75 61.67 2giw n ILE 57 Cb 0.39 -1.60 0.18 0.00 -1.74 0.00 0.00 39.64 36.86 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 -3.42 1.85 -2.95 7.28 -1.04 -1.26 -0.17 114.28 114.58 2giw n THR 58 Ca 0.13 -2.83 0.00 0.00 -2.04 0.00 0.00 64.05 59.31 2giw n THR 58 Cb 0.45 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 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 -0.90 0.00 -3.34 -1.42 5.03 -1.23 -2.18 117.44 113.40 2giw n TRP 59 Ca 0.17 0.00 -0.21 0.00 3.03 0.00 0.00 57.50 60.49 2giw n TRP 59 Cb 0.75 0.00 0.02 0.00 -1.03 0.00 0.00 31.31 31.05 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 -3.11 2.41 0.00 -0.99 -2.85 -1.26 -2.85 119.74 111.09 2giw s LYS 60 Ca 0.00 -1.66 -0.00 0.00 -1.00 0.00 0.00 55.97 53.31 2giw s LYS 60 Cb 0.00 -2.48 -0.02 0.00 -2.06 0.00 0.00 37.83 33.27 2giw s LYS 60 CO 0.00 -0.59 1.52 -0.85 0.10 0.00 0.00 175.35 175.53 2giw n GLU 61 N -1.94 0.77 0.13 1.78 0.28 -1.26 -1.74 120.64 118.65 2giw n GLU 61 Ca 0.08 -0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2giw n GLU 61 Cb 0.62 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.25 2giw n GLU 61 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2giw n GLU 62 N 1.77 0.00 -0.23 3.44 1.02 -1.26 -4.79 120.64 120.59 2giw n GLU 62 Ca 0.03 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.11 2giw n GLU 62 Cb 0.38 -0.08 0.04 0.00 -0.02 0.00 0.00 31.44 31.76 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 0.00 1.21 -0.86 2.62 1.35 -1.88 -1.52 112.91 113.82 2giw h THR 63 Ca 0.00 -0.52 -0.01 0.00 -0.55 0.00 0.00 66.41 65.33 2giw h THR 63 Cb 0.00 0.37 -0.04 0.00 -1.73 0.00 0.00 68.15 66.75 2giw h THR 63 CO 0.00 0.23 0.50 -0.07 -0.25 0.00 0.00 175.52 175.93 2giw h LEU 64 N 0.89 1.05 0.21 3.87 4.07 -1.67 -0.78 115.31 122.95 2giw h LEU 64 Ca 0.23 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 2giw h LEU 64 Cb 0.05 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.52 2giw h LEU 64 CO -0.04 0.82 -0.10 0.24 -1.08 0.00 0.00 178.44 178.28 2giw h MET 65 N 1.19 -0.28 -0.09 1.13 2.86 -1.59 -0.90 114.93 117.26 2giw h MET 65 Ca 0.31 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 58.00 2giw h MET 65 Cb -0.02 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 2giw h MET 65 CO -0.06 -0.09 -0.09 0.93 1.06 0.00 0.00 176.91 178.66 2giw h GLU 66 N -0.41 -0.11 0.36 1.72 5.08 -1.13 -0.46 114.58 119.63 2giw h GLU 66 Ca -0.03 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2giw h GLU 66 Cb 0.31 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2giw h GLU 66 CO 0.05 -0.07 -0.45 -0.92 -1.00 0.00 0.00 179.01 176.62 2giw h TYR 67 N -0.11 -1.26 -0.50 4.33 3.20 -1.10 -0.34 116.97 121.19 2giw h TYR 67 Ca 0.07 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.98 2giw h TYR 67 Cb 0.21 0.50 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 2giw h TYR 67 CO -0.20 -0.57 0.33 -0.07 -1.64 0.00 0.00 178.16 176.01 2giw h LEU 68 N -0.83 0.49 -0.72 2.82 -0.00 -1.03 0.24 115.31 116.28 2giw h LEU 68 Ca -0.04 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.76 2giw h LEU 68 Cb 0.74 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.26 2giw h LEU 68 CO -0.10 0.34 0.20 -0.08 -0.00 0.00 0.00 178.44 178.79 2giw h GLU 69 N 0.57 1.14 -0.89 1.13 4.57 -0.75 -3.42 114.58 116.93 2giw h GLU 69 Ca 0.20 -0.26 -0.27 0.00 -1.18 0.00 0.00 59.36 57.84 2giw h GLU 69 Cb 0.09 -0.16 -0.20 0.00 -0.16 0.00 0.00 28.75 28.32 2giw h GLU 69 CO -0.05 0.99 -0.61 -1.71 -1.18 0.00 0.00 179.01 176.45 2giw n ASN 70 N -4.25 -2.52 -0.13 1.04 2.85 -0.17 -4.66 115.26 107.43 2giw n ASN 70 Ca 0.05 -2.98 -0.13 0.00 -0.11 0.00 0.00 54.58 51.42 2giw n ASN 70 Cb 0.25 1.26 -0.02 0.00 1.24 0.00 0.00 39.78 42.51 2giw n ASN 70 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2giw h PRO 71 N 4.59 0.95 -0.14 1.20 0.13 -0.80 -0.15 132.00 137.78 2giw h PRO 71 Ca 0.01 -0.49 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 2giw h PRO 71 Cb 1.03 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2giw h PRO 71 CO 0.22 1.15 0.11 1.57 -0.23 0.00 0.00 178.00 180.82 2giw h LYS 72 N 0.78 0.00 0.06 0.86 2.10 -1.76 -0.76 116.57 117.85 2giw h LYS 72 Ca 0.07 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.49 2giw h LYS 72 Cb 0.96 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.27 2giw h LYS 72 CO 0.09 0.00 -1.20 -0.22 -2.00 0.00 0.00 179.45 176.12 2giw h LYS 73 N 0.00 0.13 -0.57 0.07 3.11 -1.50 -2.35 116.57 115.46 2giw h LYS 73 Ca 0.07 -0.23 0.11 0.00 -2.81 0.00 0.00 60.65 57.79 2giw h LYS 73 Cb 0.28 0.09 -0.09 0.00 -1.00 0.00 0.00 32.23 31.51 2giw h LYS 73 CO -0.00 1.11 0.05 -0.92 -2.81 0.00 0.00 179.45 176.88 2giw h TYR 74 N -0.60 0.05 -3.19 1.91 3.20 -0.98 -3.36 116.97 114.01 2giw h TYR 74 Ca -0.28 0.04 -0.60 0.00 3.14 0.00 0.00 58.73 61.03 2giw h TYR 74 Cb 1.53 0.07 -0.40 0.00 1.54 0.00 0.00 36.73 39.46 2giw h TYR 74 CO 0.14 -0.10 -0.75 0.42 -1.64 0.00 0.00 178.16 176.23 2giw s ILE 75 N -6.14 1.16 -1.53 1.81 1.01 -0.30 -5.04 121.20 112.18 2giw s ILE 75 Ca -0.13 -1.76 -0.10 0.00 0.00 0.00 0.00 60.65 58.65 2giw s ILE 75 Cb 0.18 -1.86 -0.07 0.00 0.01 0.00 0.00 42.46 40.71 2giw s ILE 75 CO 0.73 -0.71 2.79 -0.81 0.00 0.00 0.00 174.94 176.94 2giw n PRO 76 N 4.49 3.42 0.00 2.79 -0.04 -0.88 -3.13 135.00 141.65 2giw n PRO 76 Ca 0.01 -2.16 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 2giw n PRO 76 Cb 0.40 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 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 3.66 0.00 3.91 0.55 0.00 -1.26 -5.10 105.19 106.96 2giw n GLY 77 Ca 0.72 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.42 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 5.36 -0.38 2.61 -1.32 -1.18 -4.48 115.64 116.24 2giw s THR 78 Ca 0.00 -0.22 0.05 0.00 -1.21 0.00 0.00 61.69 60.31 2giw s THR 78 Cb 0.00 -3.60 0.62 0.00 -1.51 0.00 0.00 72.50 68.01 2giw s THR 78 CO 0.00 0.19 1.77 2.29 -2.21 0.00 0.00 174.62 176.66 2giw n LYS 79 N 0.49 2.63 0.19 7.08 2.85 -1.26 -4.54 118.16 125.60 2giw n LYS 79 Ca -0.07 -2.69 0.07 0.00 -1.05 0.00 0.00 58.31 54.57 2giw n LYS 79 Cb 0.52 -2.08 0.30 0.00 -0.65 0.00 0.00 35.03 33.12 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 1.47 0.00 -5.97 -1.58 4.05 -1.95 -3.49 114.93 107.47 2giw h MET 80 Ca 0.44 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.65 2giw h MET 80 Cb 2.48 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 33.28 2giw h MET 80 CO 0.86 0.34 -0.51 -0.89 0.23 0.00 0.00 176.91 176.94 2giw n ILE 81 N -3.38 -7.22 -3.74 1.77 2.08 -1.26 -5.03 119.36 102.58 2giw n ILE 81 Ca 0.01 -0.09 -0.10 0.00 0.56 0.00 0.00 62.75 63.13 2giw n ILE 81 Cb 0.54 -5.20 -0.04 0.00 -0.75 0.00 0.00 39.64 34.18 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 -2.93 -0.09 0.00 1.39 5.36 -1.26 -5.12 117.98 115.33 2giw s PHE 82 Ca 0.02 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.74 2giw s PHE 82 Cb -0.00 0.35 0.00 0.00 -0.34 0.00 0.00 43.02 43.03 2giw s PHE 82 CO 0.82 -0.89 0.00 0.00 -1.46 0.00 0.00 175.22 173.69 2giw n ALA 83 N -0.32 0.29 -1.44 11.12 0.00 -1.26 -4.36 120.51 124.54 2giw n ALA 83 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 2giw n ALA 83 Cb 0.63 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.29 1.61 0.14 0.00 0.00 -1.26 -4.26 107.32 103.26 2giw s GLY 84 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.01 2giw s GLY 84 CO 0.00 -0.03 0.00 4.51 0.00 0.00 0.00 173.10 177.58 2giw n ILE 85 N -4.06 0.82 0.00 0.90 0.13 -1.26 -5.02 119.36 110.87 2giw n ILE 85 Ca 0.09 0.27 0.00 0.00 -1.10 0.00 0.00 62.75 62.01 2giw n ILE 85 Cb 0.59 -1.24 0.00 0.00 -0.84 0.00 0.00 39.64 38.15 2giw n ILE 85 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 2giw n LYS 86 N -3.42 0.00 -2.69 9.51 4.81 -1.26 -4.93 118.16 120.18 2giw n LYS 86 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 2giw n LYS 86 Cb 0.00 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.10 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 -0.63 0.28 0.00 1.64 4.81 -1.26 -5.04 118.16 117.96 2giw n LYS 87 Ca 0.00 -1.06 0.00 0.00 -0.87 0.00 0.00 58.31 56.38 2giw n LYS 87 Cb 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 35.03 34.58 2giw n LYS 87 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2giw n LYS 88 N 2.05 0.00 -0.32 1.64 4.81 -1.26 -4.51 118.16 120.58 2giw n LYS 88 Ca 0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.47 2giw n LYS 88 Cb 0.66 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.68 2giw n LYS 88 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2giw n THR 89 N 0.00 -0.48 -0.14 3.15 -1.04 -1.26 -0.05 114.28 114.46 2giw n THR 89 Ca 0.00 1.87 -0.04 0.00 -2.04 0.00 0.00 64.05 63.84 2giw n THR 89 Cb 0.00 -2.39 0.16 0.00 -1.82 0.00 0.00 70.33 66.28 2giw n THR 89 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2giw h GLU 90 N 0.00 0.86 0.00 -2.82 4.81 -1.93 0.30 114.58 115.80 2giw h GLU 90 Ca 0.19 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2giw h GLU 90 Cb 0.39 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2giw h GLU 90 CO -0.76 0.80 -0.02 -0.09 -0.73 0.00 0.00 179.01 178.21 2giw h ARG 91 N 0.82 0.00 0.00 1.92 2.43 -0.82 -0.80 114.38 117.93 2giw h ARG 91 Ca 0.17 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.06 2giw h ARG 91 Cb 0.35 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 2giw h ARG 91 CO 0.00 0.02 -2.10 -1.91 -1.51 0.00 0.00 179.97 174.47 2giw n GLU 92 N -3.19 0.67 -0.04 0.20 4.07 0.41 -3.83 120.64 118.93 2giw n GLU 92 Ca -0.02 0.05 -0.09 0.00 -0.06 0.00 0.00 57.16 57.04 2giw n GLU 92 Cb 0.18 -1.60 -0.08 0.00 -0.06 0.00 0.00 31.44 29.88 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 0.00 -0.03 -0.60 4.31 3.32 -0.33 0.31 116.42 123.40 2giw h ASP 93 Ca -0.39 -0.55 0.09 0.00 0.02 0.00 0.00 57.03 56.20 2giw h ASP 93 Cb 1.96 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 41.45 2giw h ASP 93 CO 0.04 0.73 0.24 -0.07 -1.72 0.00 0.00 179.24 178.46 2giw h LEU 94 N -0.98 0.26 -0.15 1.55 -0.00 -1.37 0.52 115.31 115.15 2giw h LEU 94 Ca -0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2giw h LEU 94 Cb 0.58 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 2giw h LEU 94 CO 0.01 0.16 0.00 -0.38 -0.00 0.00 0.00 178.44 178.22 2giw n ILE 95 N -4.97 0.01 -0.10 1.22 2.08 -1.25 -1.05 119.36 115.30 2giw n ILE 95 Ca 0.08 -0.04 -0.24 0.00 0.56 0.00 0.00 62.75 63.11 2giw n ILE 95 Cb 0.25 -0.31 -0.11 0.00 -0.75 0.00 0.00 39.64 38.72 2giw n ILE 95 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2giw n ALA 96 N -0.77 0.93 0.12 -1.39 0.00 0.01 -3.91 120.51 115.50 2giw n ALA 96 Ca 0.21 -0.69 -0.15 0.00 0.00 0.00 0.00 53.44 52.80 2giw n ALA 96 Cb 0.13 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.85 -1.37 0.00 0.00 3.20 -0.85 -2.70 116.97 114.41 2giw h TYR 97 Ca -0.46 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 2giw h TYR 97 Cb 1.49 0.58 -0.00 0.00 1.54 0.00 0.00 36.73 40.34 2giw h TYR 97 CO 0.04 -0.57 -0.02 -0.07 -1.64 0.00 0.00 178.16 175.91 2giw h LEU 98 N -0.71 0.00 -1.75 2.82 3.38 -1.29 0.13 115.31 117.89 2giw h LEU 98 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2giw h LEU 98 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2giw h LEU 98 CO -0.27 0.02 0.00 0.50 0.09 0.00 0.00 178.44 178.78 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.64 -1.59 -1.38 116.57 118.37 2giw h LYS 99 Ca -0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2giw h LYS 99 Cb 0.13 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2giw h LYS 99 CO 0.00 0.00 -1.44 1.17 -2.27 0.00 0.00 179.45 176.91 2giw n LYS 100 N -2.70 2.68 -0.13 1.90 4.81 0.16 -4.61 118.16 120.27 2giw n LYS 100 Ca -0.01 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 2giw n LYS 100 Cb 0.15 -1.16 0.38 0.00 0.02 0.00 0.00 35.03 34.42 2giw n LYS 100 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2giw h ALA 101 N 0.29 1.72 0.00 3.14 0.00 -0.46 0.39 119.26 124.34 2giw h ALA 101 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2giw h ALA 101 Cb 1.39 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2giw h ALA 101 CO 0.01 0.19 0.00 -2.37 0.00 0.00 0.00 179.25 177.08 2giw n THR 102 N -4.47 1.53 0.00 0.00 5.66 -0.55 -3.48 114.28 112.96 2giw n THR 102 Ca 0.08 0.38 0.00 0.00 -3.05 0.00 0.00 64.05 61.47 2giw n THR 102 Cb 0.19 -1.32 0.00 0.00 -1.55 0.00 0.00 70.33 67.65 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 -1.44 3.38 0.00 1.09 5.15 0.37 -4.32 115.26 119.48 2giw n ASN 103 Ca 0.01 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.09 2giw n ASN 103 Cb 0.04 0.11 0.57 0.00 -0.53 0.00 0.00 39.78 39.97 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82