#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 -0.11 0.29 1.61 -1.08 -1.16 -4.75 116.67 111.47 2giw s ASP 2 Ca 0.00 -0.84 0.01 0.00 -0.52 0.00 0.00 52.55 51.20 2giw s ASP 2 Cb 0.00 0.74 0.45 0.00 -1.46 0.00 0.00 42.92 42.64 2giw s ASP 2 CO 0.00 -1.40 1.79 1.62 0.52 0.00 0.00 175.17 177.70 2giw h VAL 3 N 2.05 1.23 0.30 1.11 3.04 -1.79 0.20 116.25 122.39 2giw h VAL 3 Ca -0.24 -1.00 -0.01 0.00 -1.01 0.00 0.00 66.70 64.43 2giw h VAL 3 Cb 1.25 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 2giw h VAL 3 CO 0.30 0.34 -0.14 -0.33 -1.01 0.00 0.00 177.57 176.73 2giw h GLU 4 N 0.57 -0.39 -0.26 4.17 4.39 -1.96 0.15 114.58 121.25 2giw h GLU 4 Ca 0.11 0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.67 2giw h GLU 4 Cb 0.47 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2giw h GLU 4 CO 0.02 -0.20 -0.49 0.87 -1.16 0.00 0.00 179.01 178.06 2giw h LYS 5 N -0.49 0.79 -0.01 2.33 1.79 -1.94 -3.23 116.57 115.81 2giw h LYS 5 Ca -0.04 -0.50 0.03 0.00 -2.18 0.00 0.00 60.65 57.96 2giw h LYS 5 Cb 0.37 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.03 2giw h LYS 5 CO 0.07 1.13 -0.34 0.78 -1.08 0.00 0.00 179.45 180.01 2giw h GLY 6 N 0.54 -0.56 1.90 3.86 0.00 -0.31 -0.30 103.07 108.20 2giw h GLY 6 Ca 0.01 0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.70 2giw h GLY 6 CO 0.11 -0.24 -0.21 0.07 0.00 0.00 0.00 176.54 176.27 2giw h LYS 7 N -0.48 0.12 0.04 4.80 2.10 -0.82 0.21 116.57 122.54 2giw h LYS 7 Ca 0.06 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2giw h LYS 7 Cb 0.58 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 2giw h LYS 7 CO -0.28 0.33 -0.02 0.87 -2.00 0.00 0.00 179.45 178.35 2giw h LYS 8 N 0.11 -0.06 -0.33 0.07 6.56 -1.43 0.05 116.57 121.55 2giw h LYS 8 Ca 0.02 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.51 2giw h LYS 8 Cb 0.44 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 2giw h LYS 8 CO 0.03 0.53 -0.24 0.82 -2.06 0.00 0.00 179.45 178.53 2giw h ILE 9 N -0.69 1.27 0.08 1.86 2.04 -0.81 -0.16 117.51 121.10 2giw h ILE 9 Ca -0.01 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 2giw h ILE 9 Cb 0.61 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2giw h ILE 9 CO 0.01 0.43 -0.10 0.15 0.00 0.00 0.00 178.15 178.64 2giw h PHE 10 N 0.56 -0.28 -1.00 1.37 3.04 -0.65 -2.96 116.94 117.01 2giw h PHE 10 Ca 0.08 0.00 0.19 0.00 3.98 0.00 0.00 57.97 62.22 2giw h PHE 10 Cb 0.70 0.11 -0.11 0.00 2.56 0.00 0.00 35.95 39.22 2giw h PHE 10 CO 0.03 -0.13 0.61 0.28 -2.02 0.00 0.00 178.31 177.08 2giw h VAL 11 N -0.19 0.71 -0.92 1.41 2.07 -0.59 0.67 116.25 119.42 2giw h VAL 11 Ca -0.01 -0.27 0.16 0.00 0.82 0.00 0.00 66.70 67.41 2giw h VAL 11 Cb 0.17 -0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 29.73 2giw h VAL 11 CO -0.02 0.14 0.59 1.56 0.02 0.00 0.00 177.57 179.86 2giw h GLN 12 N 0.77 0.63 0.00 1.57 1.08 -1.01 -3.28 115.11 114.87 2giw h GLN 12 Ca 0.58 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.74 2giw h GLN 12 Cb 0.88 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 2giw h GLN 12 CO -0.38 0.42 -0.17 0.36 -0.95 0.00 0.00 178.83 178.11 2giw n LYS 13 N -4.58 0.00 0.00 1.46 0.00 0.49 -4.90 118.16 110.63 2giw n LYS 13 Ca 0.19 -0.63 0.00 0.00 -0.00 0.00 0.00 58.31 57.87 2giw n LYS 13 Cb 0.54 -0.46 0.00 0.00 -0.00 0.00 0.00 35.03 35.10 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 -1.24 0.00 0.00 -1.61 0.68 119.26 119.40 2giw h ALA 15 Ca 0.00 -0.01 0.42 0.00 0.00 0.00 0.00 54.91 55.31 2giw h ALA 15 Cb 0.87 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 2giw h ALA 15 CO 0.00 -0.42 0.78 -0.56 0.00 0.00 0.00 179.25 179.05 2giw h GLN 16 N 0.08 0.10 0.00 0.00 3.07 -1.87 -2.03 115.11 114.47 2giw h GLN 16 Ca 0.20 -0.01 -0.26 0.00 0.09 0.00 0.00 58.65 58.68 2giw h GLN 16 Cb 0.71 -0.02 -0.05 0.00 0.08 0.00 0.00 27.48 28.20 2giw h GLN 16 CO -0.02 0.07 -1.98 0.00 0.09 0.00 0.00 178.83 176.99 2giw s HIS 18 N -2.35 2.73 -1.59 0.00 3.76 -0.07 -4.16 115.29 113.62 2giw s HIS 18 Ca -0.11 -2.95 -0.11 0.00 -0.15 0.00 0.00 55.06 51.74 2giw s HIS 18 Cb 0.05 -2.20 -0.06 0.00 1.11 0.00 0.00 32.58 31.48 2giw s HIS 18 CO 0.54 -0.67 2.80 0.25 -0.85 0.00 0.00 174.74 176.81 2giw n THR 19 N 2.54 4.13 -2.64 1.30 -2.24 -1.21 -4.09 114.28 112.06 2giw n THR 19 Ca 0.18 -2.68 -0.42 0.00 -2.27 0.00 0.00 64.05 58.87 2giw n THR 19 Cb 0.37 -2.62 -0.03 0.00 -2.10 0.00 0.00 70.33 65.95 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 2.41 4.57 0.00 2.28 0.11 -1.26 -3.61 120.40 124.90 2giw s VAL 20 Ca 0.65 1.90 0.00 0.00 -2.93 0.00 0.00 61.98 61.60 2giw s VAL 20 Cb 0.17 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.80 2giw s VAL 20 CO -0.07 0.18 0.00 -0.62 -3.33 0.00 0.00 175.10 171.26 2giw n GLU 21 N 3.66 0.00 -2.73 1.54 1.02 -1.26 -5.04 120.64 117.82 2giw n GLU 21 Ca 0.06 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.21 2giw n GLU 21 Cb 0.49 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.92 2giw n GLU 21 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2giw s LYS 22 N 0.00 0.13 -0.57 3.49 -2.85 -1.26 -5.07 119.74 113.61 2giw s LYS 22 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 55.97 54.90 2giw s LYS 22 Cb 0.00 0.01 -0.02 0.00 -2.06 0.00 0.00 37.83 35.77 2giw s LYS 22 CO 0.00 -0.18 0.52 0.41 0.10 0.00 0.00 175.35 176.20 2giw n GLY 23 N 3.53 -0.79 0.00 0.59 0.00 -1.26 -5.05 105.19 102.20 2giw n GLY 23 Ca 0.06 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.45 -0.15 3.60 -0.02 0.00 -1.24 -5.08 105.19 100.85 2giw n GLY 24 Ca -0.02 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 1.97 0.00 1.61 3.01 -1.26 -5.01 119.74 120.06 2giw s LYS 25 Ca 0.00 -1.60 0.00 0.00 -1.01 0.00 0.00 55.97 53.36 2giw s LYS 25 Cb 0.00 0.50 0.00 0.00 -1.01 0.00 0.00 37.83 37.32 2giw s LYS 25 CO 0.00 -0.86 0.00 0.72 0.51 0.00 0.00 175.35 175.72 2giw n HIS 26 N -0.54 0.00 -1.91 3.18 8.25 -1.26 -1.84 115.22 121.11 2giw n HIS 26 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 2giw n HIS 26 Cb 0.61 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.71 2giw n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2giw n LYS 27 N 0.00 -1.41 -3.19 -0.41 4.01 -1.26 -4.62 118.16 111.27 2giw n LYS 27 Ca 0.00 1.42 -0.23 0.00 -0.51 0.00 0.00 58.31 58.99 2giw n LYS 27 Cb 0.00 -2.50 0.05 0.00 -0.51 0.00 0.00 35.03 32.07 2giw n LYS 27 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2giw n THR 28 N 0.41 -2.31 0.00 -0.18 -1.04 -1.26 -4.83 114.28 105.06 2giw n THR 28 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2giw n THR 28 Cb 0.10 -3.65 0.00 0.00 -1.82 0.00 0.00 70.33 64.97 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 -1.68 0.51 3.77 3.41 0.00 -1.26 -4.81 105.19 105.13 2giw n GLY 29 Ca -0.08 0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 2giw n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2giw s PRO 30 N 0.00 4.34 -0.05 1.61 0.04 -1.26 -4.30 135.00 135.38 2giw s PRO 30 Ca 0.00 2.24 -0.36 0.00 0.04 0.00 0.00 61.00 62.91 2giw s PRO 30 Cb 0.00 -3.07 -0.14 0.00 0.04 0.00 0.00 34.50 31.32 2giw s PRO 30 CO 0.00 -0.23 1.65 -1.71 0.04 0.00 0.00 177.00 176.75 2giw n ASN 31 N 0.99 2.64 -3.20 6.66 5.15 -0.76 -4.81 115.26 121.92 2giw n ASN 31 Ca 0.01 1.06 -0.33 0.00 -0.60 0.00 0.00 54.58 54.72 2giw n ASN 31 Cb 0.42 -1.27 -0.03 0.00 -0.53 0.00 0.00 39.78 38.36 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 4.61 7.60 0.11 1.20 4.77 -1.26 -4.65 117.00 129.38 2giw n LEU 32 Ca 0.21 -3.92 0.12 0.00 -0.03 0.00 0.00 56.01 52.39 2giw n LEU 32 Cb 0.22 -1.43 0.47 0.00 -2.33 0.00 0.00 43.42 40.35 2giw n LEU 32 CO 0.71 1.69 0.86 0.00 -1.33 0.00 0.00 177.39 179.31 2giw n HIS 33 N 3.67 0.76 -3.45 -1.77 1.44 -1.26 -4.60 115.22 110.01 2giw n HIS 33 Ca 0.68 0.28 0.02 0.00 -2.01 0.00 0.00 57.72 56.69 2giw n HIS 33 Cb 0.24 -0.95 -0.05 0.00 0.12 0.00 0.00 29.99 29.35 2giw n HIS 33 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2giw s GLY 34 N -3.51 0.20 0.00 -1.39 0.00 -1.26 -4.79 107.32 96.57 2giw s GLY 34 Ca 0.06 3.46 0.00 0.00 0.00 0.00 0.00 44.72 48.24 2giw s GLY 34 CO 0.43 3.03 0.00 1.04 0.00 0.00 0.00 173.10 177.60 2giw n LEU 35 N 4.10 0.00 -4.58 0.66 7.99 -1.26 -4.69 117.00 119.22 2giw n LEU 35 Ca -0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.47 2giw n LEU 35 Cb 0.55 -0.06 -0.03 0.00 -0.11 0.00 0.00 43.42 43.78 2giw n LEU 35 CO -0.00 -0.17 1.76 -0.36 -1.51 0.00 0.00 177.39 177.10 2giw s PHE 36 N -0.34 1.41 0.00 -1.77 0.40 -1.03 -0.57 117.98 116.07 2giw s PHE 36 Ca 0.00 0.84 0.00 0.00 -0.60 0.00 0.00 56.93 57.17 2giw s PHE 36 Cb 0.00 -3.93 0.00 0.00 0.51 0.00 0.00 43.02 39.60 2giw s PHE 36 CO 0.00 -3.14 0.00 0.41 0.70 0.00 0.00 175.22 173.19 2giw n GLY 37 N 5.71 3.15 3.58 4.36 0.00 -0.68 -5.02 105.19 116.29 2giw n GLY 37 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.68 3.71 0.01 1.61 3.52 0.27 -4.96 118.95 122.43 2giw s ARG 38 Ca 0.00 0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.50 2giw s ARG 38 Cb 0.00 -3.81 -0.08 0.00 -1.56 0.00 0.00 34.95 29.50 2giw s ARG 38 CO 0.00 -0.81 1.90 -1.59 -0.81 0.00 0.00 175.30 173.99 2giw s LYS 39 N 2.95 4.13 0.00 5.12 -2.85 -1.26 -3.93 119.74 123.90 2giw s LYS 39 Ca 0.29 2.50 0.00 0.00 -1.00 0.00 0.00 55.97 57.75 2giw s LYS 39 Cb -0.14 -4.13 0.00 0.00 -2.06 0.00 0.00 37.83 31.51 2giw s LYS 39 CO 0.16 -0.96 0.00 -2.37 0.10 0.00 0.00 175.35 172.28 2giw n THR 40 N 5.59 0.00 -0.82 3.79 5.66 0.14 -4.59 114.28 124.05 2giw n THR 40 Ca 0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 2giw n THR 40 Cb 0.42 -1.98 0.00 0.00 -1.55 0.00 0.00 70.33 67.22 2giw n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2giw n GLY 41 N 4.94 0.69 2.60 1.09 0.00 -1.26 -4.24 105.19 109.02 2giw n GLY 41 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2giw n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2giw n GLN 42 N -2.55 0.61 -1.59 1.61 7.27 -1.26 -4.79 117.38 116.68 2giw n GLN 42 Ca 0.00 -2.29 -0.31 0.00 0.07 0.00 0.00 57.00 54.47 2giw n GLN 42 Cb 0.00 -1.45 0.05 0.00 2.41 0.00 0.00 30.24 31.25 2giw n GLN 42 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2giw s ALA 43 N 0.32 2.69 0.00 1.69 0.00 -1.26 -5.05 121.76 120.15 2giw s ALA 43 Ca 0.32 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2giw s ALA 43 Cb 0.12 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2giw s ALA 43 CO -0.16 -1.22 0.26 -0.35 0.00 0.00 0.00 175.76 174.29 2giw n PRO 44 N -3.12 0.00 -3.53 0.00 -0.04 -1.26 -4.77 135.00 122.28 2giw n PRO 44 Ca 0.07 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.26 2giw n PRO 44 Cb 0.54 -0.73 -0.11 0.00 -0.04 0.00 0.00 33.50 33.16 2giw n PRO 44 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2giw s GLY 45 N -0.35 1.54 0.00 0.55 0.00 -1.26 -4.82 107.32 102.99 2giw s GLY 45 Ca 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 44.72 42.05 2giw s GLY 45 CO 0.00 1.87 0.00 0.33 0.00 0.00 0.00 173.10 175.30 2giw n PHE 46 N 2.86 0.00 -0.84 1.90 7.35 -1.26 -4.96 117.46 122.51 2giw n PHE 46 Ca 0.24 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 2giw n PHE 46 Cb 0.43 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.26 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 0.00 -4.18 -2.13 5.66 -1.26 -5.05 114.28 107.32 2giw n THR 47 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2giw n THR 47 Cb 0.00 -0.01 -0.05 0.00 -1.55 0.00 0.00 70.33 68.72 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 -0.48 -0.40 -1.76 1.09 4.11 -1.26 -4.96 117.16 113.50 2giw n TYR 48 Ca 0.00 -1.64 -0.39 0.00 -0.00 0.00 0.00 57.90 55.86 2giw n TYR 48 Cb 0.02 0.15 0.03 0.00 -0.00 0.00 0.00 39.34 39.54 2giw n TYR 48 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2giw s THR 49 N -2.76 2.01 0.57 -3.48 -4.23 -1.26 -4.70 115.64 101.79 2giw s THR 49 Ca 0.22 0.01 0.26 0.00 -1.18 0.00 0.00 61.69 61.01 2giw s THR 49 Cb 0.01 -3.01 0.34 0.00 1.34 0.00 0.00 72.50 71.18 2giw s THR 49 CO 0.16 0.00 2.21 -0.78 -0.54 0.00 0.00 174.62 175.66 2giw h ASP 50 N 1.92 0.00 -0.46 3.99 3.58 -1.97 0.17 116.42 123.65 2giw h ASP 50 Ca -0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2giw h ASP 50 Cb 1.28 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.31 2giw h ASP 50 CO 0.59 0.00 0.30 0.00 -2.88 0.00 0.00 179.24 177.25 2giw h ALA 51 N 1.96 1.67 0.06 -0.78 0.00 -1.90 0.27 119.26 120.54 2giw h ALA 51 Ca 0.02 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 2giw h ALA 51 Cb 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2giw h ALA 51 CO -0.00 0.31 -1.81 -0.97 0.00 0.00 0.00 179.25 176.78 2giw h ASN 52 N 0.62 0.21 -0.62 0.00 -1.24 -1.16 -3.35 115.58 110.04 2giw h ASN 52 Ca 0.17 -0.45 -0.06 0.00 0.71 0.00 0.00 56.30 56.66 2giw h ASN 52 Cb -0.07 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 38.89 2giw h ASN 52 CO -0.04 1.40 0.14 0.50 -1.29 0.00 0.00 177.43 178.15 2giw h LYS 53 N 0.04 1.00 0.00 6.67 3.64 -0.48 -1.64 116.57 125.79 2giw h LYS 53 Ca -0.34 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 2giw h LYS 53 Cb 2.02 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.71 2giw h LYS 53 CO 0.09 0.91 0.00 -0.97 -2.27 0.00 0.00 179.45 177.21 2giw h ASN 54 N 0.91 0.00 -0.34 4.20 -1.24 -0.64 -3.35 115.58 115.12 2giw h ASN 54 Ca 0.19 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.09 2giw h ASN 54 Cb 0.37 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 2giw h ASN 54 CO 0.00 0.00 -0.22 0.50 -1.29 0.00 0.00 177.43 176.43 2giw h LYS 55 N 0.00 0.75 -2.56 6.67 1.63 -1.43 -3.46 116.57 118.17 2giw h LYS 55 Ca 0.00 -0.35 -0.33 0.00 -0.85 0.00 0.00 60.65 59.12 2giw h LYS 55 Cb 0.22 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.78 2giw h LYS 55 CO 0.00 0.97 -0.37 0.41 -3.45 0.00 0.00 179.45 177.01 2giw n GLY 56 N 0.02 0.33 2.63 5.01 0.00 -1.26 -4.97 105.19 106.94 2giw n GLY 56 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.03 0.00 -1.68 -0.61 -5.35 -1.26 -4.69 119.36 102.74 2giw n ILE 57 Ca -0.18 -0.67 0.06 0.00 -0.27 0.00 0.00 62.75 61.69 2giw n ILE 57 Cb 0.60 -1.66 0.19 0.00 -1.74 0.00 0.00 39.64 37.03 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 -3.24 1.96 -3.01 7.28 -1.04 -1.26 -0.69 114.28 114.29 2giw n THR 58 Ca 0.11 -2.98 -0.01 0.00 -2.04 0.00 0.00 64.05 59.14 2giw n THR 58 Cb 0.39 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 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 -0.96 -0.05 -2.93 -1.42 5.03 -1.25 -1.69 117.44 114.17 2giw n TRP 59 Ca 0.17 0.01 -0.19 0.00 3.03 0.00 0.00 57.50 60.53 2giw n TRP 59 Cb 0.74 -0.08 0.04 0.00 -1.03 0.00 0.00 31.31 30.98 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 -3.25 2.48 0.00 -0.99 -2.85 -1.26 -2.47 119.74 111.40 2giw s LYS 60 Ca 0.01 -1.32 -0.02 0.00 -1.00 0.00 0.00 55.97 53.63 2giw s LYS 60 Cb -0.00 -2.64 -0.10 0.00 -2.06 0.00 0.00 37.83 33.03 2giw s LYS 60 CO 0.03 -0.67 2.01 -0.85 0.10 0.00 0.00 175.35 175.96 2giw n GLU 61 N -2.16 1.02 0.18 1.78 0.28 -1.26 -1.61 120.64 118.87 2giw n GLU 61 Ca 0.12 -0.36 0.00 0.00 -0.16 0.00 0.00 57.16 56.75 2giw n GLU 61 Cb 0.60 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 31.94 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 2.22 0.00 -0.16 3.44 1.02 -1.26 -4.83 120.64 121.07 2giw n GLU 62 Ca 0.16 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.20 2giw n GLU 62 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 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 1.24 -0.38 2.62 1.35 -1.82 -1.40 112.91 114.51 2giw h THR 63 Ca 0.00 -0.86 0.02 0.00 -0.55 0.00 0.00 66.41 65.02 2giw h THR 63 Cb 0.00 0.91 -0.03 0.00 -1.73 0.00 0.00 68.15 67.30 2giw h THR 63 CO 0.00 0.31 0.21 -0.07 -0.25 0.00 0.00 175.52 175.72 2giw h LEU 64 N 0.63 0.33 -0.10 3.87 4.07 -1.62 -1.19 115.31 121.30 2giw h LEU 64 Ca 0.14 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.11 2giw h LEU 64 Cb 0.35 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.03 2giw h LEU 64 CO 0.00 0.24 0.06 -0.03 -1.08 0.00 0.00 178.44 177.64 2giw h MET 65 N 0.43 0.14 0.19 1.13 4.05 -1.62 0.65 114.93 119.90 2giw h MET 65 Ca 0.15 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2giw h MET 65 Cb 0.03 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2giw h MET 65 CO -0.08 0.11 -0.15 1.49 0.23 0.00 0.00 176.91 178.51 2giw h GLU 66 N 0.12 -0.34 0.07 0.39 4.57 -1.20 -0.86 114.58 117.33 2giw h GLU 66 Ca 0.04 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2giw h GLU 66 Cb 0.01 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 2giw h GLU 66 CO -0.01 -0.22 -0.22 -0.92 -1.18 0.00 0.00 179.01 176.46 2giw h TYR 67 N -0.35 -0.58 -0.39 0.92 3.20 -0.98 -1.13 116.97 117.67 2giw h TYR 67 Ca -0.01 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 2giw h TYR 67 Cb 0.31 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2giw h TYR 67 CO -0.11 -0.31 0.05 -0.07 -1.64 0.00 0.00 178.16 176.07 2giw h LEU 68 N -0.38 0.54 0.09 2.82 -0.00 -0.80 0.13 115.31 117.70 2giw h LEU 68 Ca 0.04 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2giw h LEU 68 Cb 0.43 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 2giw h LEU 68 CO -0.15 0.58 -0.04 -0.08 -0.00 0.00 0.00 178.44 178.75 2giw h GLU 69 N 0.57 -0.11 -1.17 1.13 4.81 -0.77 -3.43 114.58 115.61 2giw h GLU 69 Ca 0.13 0.01 -0.40 0.00 -0.13 0.00 0.00 59.36 58.97 2giw h GLU 69 Cb 0.29 0.03 -0.27 0.00 0.63 0.00 0.00 28.75 29.42 2giw h GLU 69 CO 0.00 -0.03 -0.81 -1.71 -0.73 0.00 0.00 179.01 175.74 2giw n ASN 70 N -5.12 -1.38 -0.11 1.04 2.85 -0.46 -4.33 115.26 107.75 2giw n ASN 70 Ca -0.08 -2.92 -0.13 0.00 -0.11 0.00 0.00 54.58 51.34 2giw n ASN 70 Cb 0.09 0.53 -0.03 0.00 1.24 0.00 0.00 39.78 41.61 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 4.23 0.75 0.00 1.20 0.13 -1.00 0.02 132.00 137.32 2giw h PRO 71 Ca 0.00 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2giw h PRO 71 Cb 0.96 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2giw h PRO 71 CO 0.37 0.98 0.00 1.63 -0.23 0.00 0.00 178.00 180.75 2giw n LYS 72 N -4.26 0.01 -0.09 0.86 5.02 -1.26 -1.20 118.16 117.23 2giw n LYS 72 Ca -0.03 0.33 -0.14 0.00 -2.02 0.00 0.00 58.31 56.45 2giw n LYS 72 Cb 0.45 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 2giw n LYS 72 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2giw n LYS 73 N -1.53 0.52 -0.33 1.97 4.01 -0.34 -4.38 118.16 118.08 2giw n LYS 73 Ca 0.02 0.50 0.13 0.00 -0.51 0.00 0.00 58.31 58.46 2giw n LYS 73 Cb 0.12 -1.68 0.35 0.00 -0.51 0.00 0.00 35.03 33.32 2giw n LYS 73 CO 0.00 0.00 0.00 -0.92 -1.11 0.00 0.00 177.40 175.37 2giw h TYR 74 N -1.00 0.97 -3.18 2.13 3.20 -0.72 -3.37 116.97 114.99 2giw h TYR 74 Ca -0.21 0.03 -0.55 0.00 3.14 0.00 0.00 58.73 61.14 2giw h TYR 74 Cb 0.97 -0.29 -0.36 0.00 1.54 0.00 0.00 36.73 38.58 2giw h TYR 74 CO -0.10 0.25 -0.81 0.42 -1.64 0.00 0.00 178.16 176.28 2giw s ILE 75 N -5.77 1.23 -1.22 1.81 1.01 -0.34 -5.07 121.20 112.85 2giw s ILE 75 Ca -0.11 -0.43 -0.20 0.00 0.00 0.00 0.00 60.65 59.92 2giw s ILE 75 Cb 0.24 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 2giw s ILE 75 CO 0.80 0.40 1.87 -0.81 0.00 0.00 0.00 174.94 177.20 2giw n PRO 76 N 4.78 2.35 -0.11 2.79 -0.04 -1.26 -3.72 135.00 139.79 2giw n PRO 76 Ca -0.15 -2.78 0.00 0.00 -0.04 0.00 0.00 63.50 60.53 2giw n PRO 76 Cb 0.50 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.41 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 5.43 0.77 3.93 0.55 0.00 -1.26 -4.95 105.19 109.64 2giw n GLY 77 Ca 0.47 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.07 3.97 0.26 2.61 -1.32 -1.24 -4.61 115.64 113.23 2giw s THR 78 Ca 0.00 -0.13 0.08 0.00 -1.21 0.00 0.00 61.69 60.43 2giw s THR 78 Cb 0.00 -3.53 -0.03 0.00 -1.51 0.00 0.00 72.50 67.43 2giw s THR 78 CO 0.00 -0.48 1.60 0.50 -2.21 0.00 0.00 174.62 174.03 2giw h LYS 79 N 0.08 0.10 -6.90 7.08 3.64 -1.96 -3.45 116.57 115.17 2giw h LYS 79 Ca -0.46 -0.07 -0.53 0.00 -1.27 0.00 0.00 60.65 58.32 2giw h LYS 79 Cb 1.25 0.01 0.08 0.00 -0.41 0.00 0.00 32.23 33.16 2giw h LYS 79 CO 0.60 0.67 0.71 1.41 -2.27 0.00 0.00 179.45 180.57 2giw s MET 80 N -3.70 4.24 -0.57 1.90 1.75 -1.26 -4.99 119.30 116.67 2giw s MET 80 Ca -0.03 2.38 0.04 0.00 -1.25 0.00 0.00 55.69 56.84 2giw s MET 80 Cb 0.12 -3.03 0.15 0.00 2.84 0.00 0.00 34.83 34.91 2giw s MET 80 CO 0.78 -0.36 0.35 0.42 -0.65 0.00 0.00 175.02 175.56 2giw s ILE 81 N -1.02 2.32 0.33 10.11 -1.09 -1.26 -4.87 121.20 125.72 2giw s ILE 81 Ca 0.52 -3.50 -0.18 0.00 -2.23 0.00 0.00 60.65 55.26 2giw s ILE 81 Cb -0.43 -2.58 0.04 0.00 -1.58 0.00 0.00 42.46 37.91 2giw s ILE 81 CO 0.56 -0.93 0.75 0.12 -1.23 0.00 0.00 174.94 174.21 2giw s PHE 82 N -0.59 -0.01 0.00 3.97 5.36 -1.26 -5.15 117.98 120.29 2giw s PHE 82 Ca 0.21 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 2giw s PHE 82 Cb -0.15 0.76 0.00 0.00 -0.34 0.00 0.00 43.02 43.28 2giw s PHE 82 CO -0.08 -1.40 0.00 0.00 -1.46 0.00 0.00 175.22 172.28 2giw n ALA 83 N -0.50 0.00 -1.03 11.12 0.00 -1.26 -4.59 120.51 124.25 2giw n ALA 83 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 2giw n ALA 83 Cb 0.60 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.24 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 0.00 1.55 0.00 0.00 0.00 -1.26 -4.78 107.32 102.84 2giw s GLY 84 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.35 2giw s GLY 84 CO 0.00 0.29 0.00 4.51 0.00 0.00 0.00 173.10 177.90 2giw n ILE 85 N -4.39 0.00 0.00 0.90 3.06 -1.26 -5.06 119.36 112.60 2giw n ILE 85 Ca 0.05 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.30 2giw n ILE 85 Cb 0.57 -0.04 0.00 0.00 0.54 0.00 0.00 39.64 40.71 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 -1.65 0.00 0.03 9.51 5.02 -1.26 -5.07 118.16 124.74 2giw n LYS 86 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2giw n LYS 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2giw n LYS 86 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2giw n LYS 87 N -0.89 0.00 0.00 1.97 3.00 -1.26 -5.04 118.16 115.94 2giw n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2giw n LYS 87 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2giw n LYS 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2giw n LYS 88 N -2.62 0.00 -0.25 1.64 0.00 -1.26 -4.97 118.16 110.70 2giw n LYS 88 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 2giw n LYS 88 Cb 0.00 -0.04 0.06 0.00 -0.00 0.00 0.00 35.03 35.05 2giw n LYS 88 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2giw h THR 89 N 0.00 0.20 -0.68 0.58 2.02 -1.97 0.17 112.91 113.23 2giw h THR 89 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 2giw h THR 89 Cb 0.00 0.20 -0.12 0.00 -1.74 0.00 0.00 68.15 66.49 2giw h THR 89 CO 0.00 0.00 -0.21 -1.84 0.37 0.00 0.00 175.52 173.84 2giw n GLU 90 N -5.48 -0.10 -0.01 6.66 -0.00 -1.26 -0.48 120.64 119.96 2giw n GLU 90 Ca 0.09 1.06 0.21 0.00 -0.00 0.00 0.00 57.16 58.52 2giw n GLU 90 Cb 0.38 -1.58 0.70 0.00 -0.00 0.00 0.00 31.44 30.93 2giw n GLU 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2giw h ARG 91 N 0.00 0.00 -0.12 3.44 3.08 -1.04 0.19 114.38 119.92 2giw h ARG 91 Ca 0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 2giw h ARG 91 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2giw h ARG 91 CO -0.69 0.00 -0.07 -1.91 -1.07 0.00 0.00 179.97 176.23 2giw n GLU 92 N -4.34 1.87 0.01 0.04 2.13 0.37 -4.19 120.64 116.53 2giw n GLU 92 Ca 0.11 -2.82 -0.01 0.00 0.66 0.00 0.00 57.16 55.10 2giw n GLU 92 Cb 0.64 -1.65 -0.00 0.00 0.27 0.00 0.00 31.44 30.70 2giw n GLU 92 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2giw n ASP 93 N -1.09 0.55 -0.04 4.31 2.03 0.41 0.60 116.55 123.32 2giw n ASP 93 Ca 0.20 0.07 -0.08 0.00 0.52 0.00 0.00 54.79 55.50 2giw n ASP 93 Cb 0.77 -0.22 -0.02 0.00 -0.72 0.00 0.00 41.12 40.93 2giw n ASP 93 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2giw h LEU 94 N -0.06 -0.33 -0.33 -2.67 -0.00 -1.11 0.54 115.31 111.35 2giw h LEU 94 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 2giw h LEU 94 Cb 0.06 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2giw h LEU 94 CO 0.00 -0.13 0.00 -0.38 -0.00 0.00 0.00 178.44 177.93 2giw n ILE 95 N -5.25 1.00 -0.03 1.22 -0.00 -1.25 -1.44 119.36 113.61 2giw n ILE 95 Ca -0.02 0.28 -0.22 0.00 -0.00 0.00 0.00 62.75 62.80 2giw n ILE 95 Cb 0.17 -1.13 -0.13 0.00 -0.00 0.00 0.00 39.64 38.56 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 -1.61 0.86 0.25 -1.39 0.00 -0.00 -3.10 120.51 115.50 2giw n ALA 96 Ca 0.03 -0.56 -0.17 0.00 0.00 0.00 0.00 53.44 52.73 2giw n ALA 96 Cb 0.17 -0.63 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.28 -1.36 0.00 0.00 3.20 -0.72 -2.82 116.97 115.00 2giw h TYR 97 Ca -0.41 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.48 2giw h TYR 97 Cb 1.80 0.54 -0.00 0.00 1.54 0.00 0.00 36.73 40.61 2giw h TYR 97 CO 0.08 -0.63 -0.02 -0.07 -1.64 0.00 0.00 178.16 175.88 2giw h LEU 98 N -0.92 0.00 -2.27 2.82 3.38 -1.39 0.12 115.31 117.05 2giw h LEU 98 Ca -0.04 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2giw h LEU 98 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2giw h LEU 98 CO -0.11 0.02 0.09 0.50 0.09 0.00 0.00 178.44 179.02 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.64 -1.43 -1.02 116.57 118.89 2giw h LYS 99 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2giw h LYS 99 Cb 0.10 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2giw h LYS 99 CO 0.00 0.00 -1.28 0.36 -2.27 0.00 0.00 179.45 176.26 2giw n LYS 100 N -4.01 0.57 -0.05 1.90 2.85 -0.05 -4.59 118.16 114.79 2giw n LYS 100 Ca -0.01 -0.05 0.01 0.00 -1.05 0.00 0.00 58.31 57.22 2giw n LYS 100 Cb 0.19 -1.14 0.33 0.00 -0.65 0.00 0.00 35.03 33.77 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 0.50 1.52 0.00 0.58 0.00 -0.46 0.93 119.26 122.33 2giw h ALA 101 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2giw h ALA 101 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2giw h ALA 101 CO 0.00 0.39 0.16 0.00 0.00 0.00 0.00 179.25 179.80 2giw h THR 102 N 0.64 0.00 -0.69 0.00 1.03 -1.44 -2.93 112.91 109.51 2giw h THR 102 Ca 0.16 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 66.24 2giw h THR 102 Cb 0.08 0.53 -0.27 0.00 -1.07 0.00 0.00 68.15 67.42 2giw h THR 102 CO -0.02 0.00 -0.77 -3.20 -0.01 0.00 0.00 175.52 171.52 2giw n ASN 103 N -2.43 -0.58 -0.37 0.00 5.15 0.04 -4.61 115.26 112.46 2giw n ASN 103 Ca -0.02 -2.96 0.14 0.00 -0.60 0.00 0.00 54.58 51.15 2giw n ASN 103 Cb 0.20 0.50 0.62 0.00 -0.53 0.00 0.00 39.78 40.57 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82