#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 1.95 -0.23 1.61 1.01 -1.26 -4.77 116.67 114.98 2giw s ASP 2 Ca 0.00 1.05 0.05 0.00 0.71 0.00 0.00 52.55 54.36 2giw s ASP 2 Cb 0.00 -1.62 -0.17 0.00 1.01 0.00 0.00 42.92 42.14 2giw s ASP 2 CO 0.00 -3.54 -0.16 0.55 0.21 0.00 0.00 175.17 172.24 2giw n VAL 3 N -4.43 1.33 0.01 -1.27 3.14 -1.26 -4.06 118.33 111.79 2giw n VAL 3 Ca 0.07 -0.57 -0.12 0.00 -2.96 0.00 0.00 64.34 60.76 2giw n VAL 3 Cb 0.58 -1.18 -0.10 0.00 -1.06 0.00 0.00 33.84 32.08 2giw n VAL 3 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2giw h GLU 4 N 0.00 -0.09 -0.94 1.45 4.39 -1.95 -1.78 114.58 115.66 2giw h GLU 4 Ca -0.52 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.22 2giw h GLU 4 Cb 1.87 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 30.49 2giw h GLU 4 CO -0.06 0.46 0.62 0.87 -1.16 0.00 0.00 179.01 179.74 2giw h LYS 5 N -0.73 1.15 -0.27 2.33 1.57 -1.94 0.35 116.57 119.03 2giw h LYS 5 Ca -0.01 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2giw h LYS 5 Cb 0.59 -0.26 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 2giw h LYS 5 CO 0.02 0.76 -0.24 0.78 -0.57 0.00 0.00 179.45 180.19 2giw h GLY 6 N 1.18 -0.14 1.00 3.86 0.00 -1.66 0.18 103.07 107.49 2giw h GLY 6 Ca 0.38 0.30 0.00 0.00 0.00 0.00 0.00 47.33 48.01 2giw h GLY 6 CO -0.12 -0.20 0.39 1.70 0.00 0.00 0.00 176.54 178.31 2giw h LYS 7 N -0.24 0.80 -0.05 4.80 3.64 -0.40 0.13 116.57 125.26 2giw h LYS 7 Ca 0.15 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2giw h LYS 7 Cb 0.46 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2giw h LYS 7 CO -0.41 0.55 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.10 2giw h LYS 8 N 0.81 0.09 -0.16 1.90 3.11 -0.26 -0.88 116.57 121.18 2giw h LYS 8 Ca 0.22 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.96 2giw h LYS 8 Cb -0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.15 2giw h LYS 8 CO -0.05 0.37 -0.16 0.82 -2.81 0.00 0.00 179.45 177.62 2giw h ILE 9 N -0.21 1.34 -0.17 2.00 2.04 -0.60 -1.07 117.51 120.84 2giw h ILE 9 Ca 0.01 -1.32 0.02 0.00 1.00 0.00 0.00 64.86 64.57 2giw h ILE 9 Cb 0.33 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2giw h ILE 9 CO 0.00 0.39 -0.24 0.15 0.00 0.00 0.00 178.15 178.46 2giw h PHE 10 N 0.05 -0.73 -0.85 1.37 3.57 -0.73 -1.05 116.94 118.56 2giw h PHE 10 Ca 0.03 0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.73 2giw h PHE 10 Cb 0.70 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.72 2giw h PHE 10 CO 0.08 -0.21 0.56 0.28 -2.23 0.00 0.00 178.31 176.79 2giw h VAL 11 N -0.17 0.75 0.00 1.41 2.07 -1.01 0.53 116.25 119.83 2giw h VAL 11 Ca 0.03 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2giw h VAL 11 Cb 0.26 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2giw h VAL 11 CO -0.25 0.09 -0.09 1.56 0.02 0.00 0.00 177.57 178.89 2giw h GLN 12 N 0.48 0.00 0.00 1.57 4.20 0.09 -3.31 115.11 118.14 2giw h GLN 12 Ca 0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 2giw h GLN 12 Cb 0.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 2giw h GLN 12 CO -0.17 0.09 0.00 0.36 -0.67 0.00 0.00 178.83 178.44 2giw n LYS 13 N -3.78 0.00 -0.04 1.46 0.00 0.01 -4.93 118.16 110.89 2giw n LYS 13 Ca -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.22 2giw n LYS 13 Cb 0.19 -0.48 -0.03 0.00 -0.00 0.00 0.00 35.03 34.71 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 -0.16 2.44 -1.04 0.00 0.00 -1.64 0.12 119.26 118.98 2giw h ALA 15 Ca -0.17 -0.01 0.35 0.00 0.00 0.00 0.00 54.91 55.08 2giw h ALA 15 Cb 1.19 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 2giw h ALA 15 CO -0.08 -0.65 0.60 -0.56 0.00 0.00 0.00 179.25 178.56 2giw h GLN 16 N 0.17 0.24 0.00 0.00 3.07 -1.85 -2.00 115.11 114.73 2giw h GLN 16 Ca 0.36 -0.01 -0.36 0.00 0.09 0.00 0.00 58.65 58.72 2giw h GLN 16 Cb 1.16 -0.05 -0.07 0.00 0.08 0.00 0.00 27.48 28.60 2giw h GLN 16 CO -0.06 0.16 -2.35 0.00 0.09 0.00 0.00 178.83 176.66 2giw n HIS 18 N -2.91 2.24 -1.25 0.00 8.25 0.05 -2.56 115.22 119.04 2giw n HIS 18 Ca -0.36 -3.97 -0.37 0.00 -0.26 0.00 0.00 57.72 52.76 2giw n HIS 18 Cb 1.07 -0.45 -0.03 0.00 1.12 0.00 0.00 29.99 31.70 2giw n HIS 18 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2giw n THR 19 N 1.36 4.00 -1.03 1.59 -1.04 -1.05 -4.04 114.28 114.07 2giw n THR 19 Ca 0.26 -2.43 -0.27 0.00 -2.04 0.00 0.00 64.05 59.57 2giw n THR 19 Cb 0.43 -2.55 -0.05 0.00 -1.82 0.00 0.00 70.33 66.34 2giw n THR 19 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2giw n VAL 20 N 3.75 3.36 -2.24 12.58 3.14 -1.26 -3.45 118.33 134.21 2giw n VAL 20 Ca 0.73 -1.95 -0.02 0.00 -2.96 0.00 0.00 64.34 60.13 2giw n VAL 20 Cb 0.22 -2.32 -0.02 0.00 -1.06 0.00 0.00 33.84 30.66 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 3.54 0.10 -3.04 1.45 2.13 -1.26 -4.94 120.64 118.61 2giw n GLU 21 Ca 0.59 -1.46 0.00 0.00 0.66 0.00 0.00 57.16 56.95 2giw n GLU 21 Cb 0.32 0.25 0.00 0.00 0.27 0.00 0.00 31.44 32.28 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 0.12 -3.01 -1.08 5.31 2.85 -1.22 -5.02 118.16 116.10 2giw n LYS 22 Ca -0.13 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.76 2giw n LYS 22 Cb 0.88 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.23 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 -0.04 2.99 3.56 2.58 0.00 -1.26 -4.88 105.19 108.15 2giw n GLY 23 Ca 0.00 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 2giw n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2giw s GLY 24 N 4.22 1.79 1.15 -0.02 0.00 -1.26 -5.08 107.32 108.12 2giw s GLY 24 Ca 0.51 -0.94 -0.15 0.00 0.00 0.00 0.00 44.72 44.14 2giw s GLY 24 CO 0.04 1.37 1.05 -1.59 0.00 0.00 0.00 173.10 173.98 2giw s LYS 25 N 2.54 -0.82 -1.30 2.90 -2.85 -1.26 -4.42 119.74 114.52 2giw s LYS 25 Ca 0.21 0.43 -0.09 0.00 -1.00 0.00 0.00 55.97 55.53 2giw s LYS 25 Cb -0.15 -1.60 0.15 0.00 -2.06 0.00 0.00 37.83 34.17 2giw s LYS 25 CO 0.14 -3.56 1.98 0.72 0.10 0.00 0.00 175.35 174.74 2giw n HIS 26 N -4.74 2.89 0.00 1.78 8.25 -1.26 -4.60 115.22 117.54 2giw n HIS 26 Ca 0.07 -2.80 0.00 0.00 -0.26 0.00 0.00 57.72 54.72 2giw n HIS 26 Cb 0.57 -1.96 0.00 0.00 1.12 0.00 0.00 29.99 29.72 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 3.64 0.00 -0.21 -0.41 4.81 -1.26 -4.59 118.16 120.14 2giw n LYS 27 Ca 0.44 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.96 2giw n LYS 27 Cb 0.34 -0.55 0.19 0.00 0.02 0.00 0.00 35.03 35.04 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 -0.48 0.82 -3.65 3.15 -1.04 -1.26 -4.95 114.28 106.88 2giw n THR 28 Ca 0.00 -0.91 -0.03 0.00 -2.04 0.00 0.00 64.05 61.07 2giw n THR 28 Cb 0.00 0.65 -0.07 0.00 -1.82 0.00 0.00 70.33 69.09 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 -1.06 0.24 0.24 3.41 0.00 -1.06 -4.87 107.32 104.23 2giw s GLY 29 Ca 0.31 3.34 -0.30 0.00 0.00 0.00 0.00 44.72 48.07 2giw s GLY 29 CO 0.22 2.24 1.06 2.56 0.00 0.00 0.00 173.10 179.19 2giw s PRO 30 N 0.57 4.68 0.21 2.90 0.04 -1.26 -4.39 135.00 137.74 2giw s PRO 30 Ca -0.00 1.71 -0.32 0.00 0.04 0.00 0.00 61.00 62.43 2giw s PRO 30 Cb -0.04 -3.23 -0.12 0.00 0.04 0.00 0.00 34.50 31.14 2giw s PRO 30 CO -0.12 0.25 1.65 0.27 0.04 0.00 0.00 177.00 179.09 2giw n ASN 31 N 1.55 3.70 -2.52 6.66 6.94 -1.26 -4.83 115.26 125.49 2giw n ASN 31 Ca -0.00 1.09 -0.23 0.00 -0.02 0.00 0.00 54.58 55.41 2giw n ASN 31 Cb 0.46 -1.54 -0.11 0.00 -2.36 0.00 0.00 39.78 36.23 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2giw n LEU 32 N 3.42 6.58 -3.89 -4.53 4.77 -1.26 -4.84 117.00 117.25 2giw n LEU 32 Ca 0.15 -3.73 -0.42 0.00 -0.03 0.00 0.00 56.01 51.97 2giw n LEU 32 Cb 0.34 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 2giw n LEU 32 CO 0.64 1.84 2.41 1.57 -1.33 0.00 0.00 177.39 182.51 2giw n HIS 33 N 2.58 3.60 0.00 -1.77 -0.00 -1.26 -4.17 115.22 114.20 2giw n HIS 33 Ca 0.55 -2.94 0.00 0.00 0.46 0.00 0.00 57.72 55.80 2giw n HIS 33 Cb 0.64 -2.43 0.00 0.00 -0.12 0.00 0.00 29.99 28.08 2giw n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2giw n GLY 34 N 3.98 2.17 5.48 1.57 0.00 -1.26 -5.05 105.19 112.08 2giw n GLY 34 Ca 0.49 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2giw n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2giw n LEU 35 N 0.00 0.00 -4.65 0.99 -0.00 -1.26 -4.06 117.00 108.02 2giw n LEU 35 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 2giw n LEU 35 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2giw n LEU 35 CO 0.00 0.00 1.66 0.49 -0.00 0.00 0.00 177.39 179.54 2giw n PHE 36 N 0.00 2.38 0.00 1.96 3.72 -1.25 -0.68 117.46 123.59 2giw n PHE 36 Ca 0.00 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 2giw n PHE 36 Cb 0.00 -2.78 0.00 0.00 -0.94 0.00 0.00 39.48 35.76 2giw n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2giw n GLY 37 N 4.84 3.02 3.48 1.37 0.00 -0.66 -4.98 105.19 112.26 2giw n GLY 37 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.27 3.30 -0.14 1.61 3.52 0.14 -4.90 118.95 122.20 2giw s ARG 38 Ca 0.00 -1.01 -0.37 0.00 -0.13 0.00 0.00 55.73 54.22 2giw s ARG 38 Cb 0.00 -4.53 -0.14 0.00 -1.56 0.00 0.00 34.95 28.73 2giw s ARG 38 CO 0.00 -1.90 1.78 0.36 -0.81 0.00 0.00 175.30 174.73 2giw n LYS 39 N 7.80 1.70 -0.00 5.12 2.85 -1.26 -4.47 118.16 129.88 2giw n LYS 39 Ca 0.08 0.62 0.00 0.00 -1.05 0.00 0.00 58.31 57.96 2giw n LYS 39 Cb 0.47 -2.38 0.00 0.00 -0.65 0.00 0.00 35.03 32.47 2giw n LYS 39 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2giw n THR 40 N 4.68 0.00 -1.00 0.58 5.66 -0.27 -4.68 114.28 119.25 2giw n THR 40 Ca 0.24 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 2giw n THR 40 Cb 0.22 -1.83 0.00 0.00 -1.55 0.00 0.00 70.33 67.16 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 5.00 0.54 2.72 1.09 0.00 -1.26 -4.31 105.19 108.97 2giw n GLY 41 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.70 0.37 -2.82 1.61 7.27 -1.26 -4.70 117.38 115.15 2giw n GLN 42 Ca 0.00 -1.49 -0.29 0.00 0.07 0.00 0.00 57.00 55.29 2giw n GLN 42 Cb 0.02 -0.82 -0.02 0.00 2.41 0.00 0.00 30.24 31.83 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 0.86 3.41 -0.12 1.69 0.00 -1.26 -5.00 121.76 121.34 2giw s ALA 43 Ca 0.28 -0.39 0.30 0.00 0.00 0.00 0.00 51.96 52.15 2giw s ALA 43 Cb 0.07 -2.60 1.21 0.00 0.00 0.00 0.00 23.12 21.81 2giw s ALA 43 CO -0.09 -0.13 1.88 -1.00 0.00 0.00 0.00 175.76 176.43 2giw h PRO 44 N 0.85 0.00 0.00 0.00 0.13 -2.01 -3.42 132.00 127.55 2giw h PRO 44 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2giw h PRO 44 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2giw h PRO 44 CO 0.63 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 2giw n GLY 45 N 0.05 0.79 3.56 1.56 0.00 -1.26 -5.00 105.19 104.89 2giw n GLY 45 Ca 0.01 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2giw n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2giw s PHE 46 N 0.25 1.92 -0.54 1.61 5.36 -1.26 -4.78 117.98 120.55 2giw s PHE 46 Ca 0.00 0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 2giw s PHE 46 Cb 0.00 -4.20 0.50 0.00 -0.34 0.00 0.00 43.02 38.99 2giw s PHE 46 CO 0.00 -1.92 1.96 -2.37 -1.46 0.00 0.00 175.22 171.43 2giw n THR 47 N 7.48 3.33 -4.80 0.12 5.66 -1.26 -4.70 114.28 120.11 2giw n THR 47 Ca 0.32 -2.35 0.00 0.00 -3.05 0.00 0.00 64.05 58.97 2giw n THR 47 Cb 0.49 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 68.37 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 -0.87 -1.06 -1.35 1.09 4.01 -1.26 -4.22 117.16 113.50 2giw n TYR 48 Ca 0.57 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 58.01 2giw n TYR 48 Cb 1.05 0.18 0.11 0.00 -0.31 0.00 0.00 39.34 40.37 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 2.96 0.27 -0.72 -4.23 -1.26 -4.86 115.64 107.79 2giw s THR 49 Ca 0.00 0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.81 2giw s THR 49 Cb 0.00 -2.90 0.28 0.00 1.34 0.00 0.00 72.50 71.22 2giw s THR 49 CO 0.00 -0.41 1.66 -2.24 -0.54 0.00 0.00 174.62 173.10 2giw h ASP 50 N -1.29 -0.01 -0.50 3.99 2.03 -1.92 0.75 116.42 119.46 2giw h ASP 50 Ca -0.48 0.17 0.03 0.00 -0.73 0.00 0.00 57.03 56.03 2giw h ASP 50 Cb 1.27 0.24 -0.04 0.00 -0.83 0.00 0.00 39.33 39.97 2giw h ASP 50 CO 0.56 -0.10 0.28 0.00 -1.03 0.00 0.00 179.24 178.94 2giw h ALA 51 N 1.71 0.64 0.16 4.15 0.00 -1.93 0.47 119.26 124.45 2giw h ALA 51 Ca 0.49 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.11 2giw h ALA 51 Cb 0.91 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.63 2giw h ALA 51 CO -0.59 -0.05 -1.24 -0.91 0.00 0.00 0.00 179.25 176.45 2giw h ASN 52 N 0.55 0.82 -0.79 0.00 2.35 -1.83 -3.30 115.58 113.37 2giw h ASN 52 Ca 0.21 -0.86 0.09 0.00 -0.55 0.00 0.00 56.30 55.19 2giw h ASN 52 Cb 0.07 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.13 2giw h ASN 52 CO -0.12 1.61 0.52 0.50 -1.65 0.00 0.00 177.43 178.28 2giw h LYS 53 N 0.15 0.73 0.00 0.81 3.11 -0.20 -0.72 116.57 120.44 2giw h LYS 53 Ca -0.20 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 2giw h LYS 53 Cb 1.94 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 33.01 2giw h LYS 53 CO 0.24 0.48 0.00 -0.97 -2.81 0.00 0.00 179.45 176.39 2giw h ASN 54 N 0.75 0.00 0.25 4.20 -1.24 -0.17 -3.37 115.58 115.99 2giw h ASN 54 Ca 0.36 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.36 2giw h ASN 54 Cb 0.41 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.46 2giw h ASN 54 CO -0.14 0.00 -0.12 0.11 -1.29 0.00 0.00 177.43 176.00 2giw h LYS 55 N 0.00 -0.32 -5.04 6.67 1.79 -1.21 -3.49 116.57 114.97 2giw h LYS 55 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2giw h LYS 55 Cb 0.52 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2giw h LYS 55 CO 0.00 -0.21 -0.25 0.41 -1.08 0.00 0.00 179.45 178.32 2giw n GLY 56 N 0.52 -1.19 3.23 3.86 0.00 -1.26 -5.00 105.19 105.35 2giw n GLY 56 Ca -0.04 0.79 -0.17 0.00 0.00 0.00 0.00 46.02 46.60 2giw n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2giw s ILE 57 N -2.67 1.26 -1.82 -0.61 -4.36 -1.26 -4.91 121.20 106.82 2giw s ILE 57 Ca 0.12 -1.72 0.04 0.00 -0.26 0.00 0.00 60.65 58.83 2giw s ILE 57 Cb -0.03 -1.52 0.13 0.00 1.25 0.00 0.00 42.46 42.28 2giw s ILE 57 CO 0.67 -0.46 1.04 0.41 0.24 0.00 0.00 174.94 176.84 2giw n THR 58 N 0.49 0.23 -4.11 8.37 -1.04 -1.26 -1.11 114.28 115.85 2giw n THR 58 Ca -0.15 -0.19 -0.43 0.00 -2.04 0.00 0.00 64.05 61.24 2giw n THR 58 Cb 0.57 0.01 -0.01 0.00 -1.82 0.00 0.00 70.33 69.08 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 -0.07 -1.39 -2.01 -1.42 5.03 -1.26 -1.66 117.44 114.67 2giw n TRP 59 Ca 0.05 0.21 -0.28 0.00 3.03 0.00 0.00 57.50 60.51 2giw n TRP 59 Cb 0.16 -2.84 0.12 0.00 -1.03 0.00 0.00 31.31 27.73 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 -7.36 1.52 0.00 -0.99 0.00 -1.26 -3.80 119.74 107.85 2giw s LYS 60 Ca 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 55.97 56.11 2giw s LYS 60 Cb -0.20 -1.98 -0.08 0.00 0.00 0.00 0.00 37.83 35.57 2giw s LYS 60 CO 0.97 -1.81 2.06 -0.85 0.00 0.00 0.00 175.35 175.73 2giw n GLU 61 N -3.37 1.06 0.13 1.78 0.28 -1.26 -2.36 120.64 116.91 2giw n GLU 61 Ca 0.11 -0.29 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 2giw n GLU 61 Cb 0.60 -1.40 0.00 0.00 1.43 0.00 0.00 31.44 32.07 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 1.99 0.00 0.02 3.44 1.02 -1.26 -4.75 120.64 121.09 2giw n GLU 62 Ca 0.12 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.22 2giw n GLU 62 Cb 0.51 -0.06 0.17 0.00 -0.02 0.00 0.00 31.44 32.05 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 1.28 -0.60 2.62 1.35 -1.90 -1.06 112.91 114.61 2giw h THR 63 Ca 0.00 -1.39 0.01 0.00 -0.55 0.00 0.00 66.41 64.48 2giw h THR 63 Cb 0.00 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 67.84 2giw h THR 63 CO 0.00 0.44 0.40 -0.07 -0.25 0.00 0.00 175.52 176.04 2giw h LEU 64 N 0.42 0.69 0.31 3.87 4.07 -1.79 -0.35 115.31 122.52 2giw h LEU 64 Ca 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 2giw h LEU 64 Cb 0.76 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2giw h LEU 64 CO 0.06 0.50 -0.15 0.24 -1.08 0.00 0.00 178.44 178.01 2giw h MET 65 N 0.82 -0.39 -0.34 1.13 2.86 -1.53 0.05 114.93 117.52 2giw h MET 65 Ca 0.22 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.96 2giw h MET 65 Cb -0.09 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 31.58 2giw h MET 65 CO -0.05 -0.26 -0.24 1.49 1.06 0.00 0.00 176.91 178.91 2giw h GLU 66 N -0.41 -0.20 0.77 1.72 4.57 -1.12 -0.60 114.58 119.32 2giw h GLU 66 Ca -0.04 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 2giw h GLU 66 Cb 0.32 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2giw h GLU 66 CO 0.07 -0.13 -0.37 -0.92 -1.18 0.00 0.00 179.01 176.48 2giw h TYR 67 N -0.20 -0.96 -0.75 0.92 3.20 -0.92 -0.81 116.97 117.44 2giw h TYR 67 Ca 0.17 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.10 2giw h TYR 67 Cb 0.47 0.32 -0.05 0.00 1.54 0.00 0.00 36.73 39.00 2giw h TYR 67 CO -0.44 -0.60 0.49 -0.07 -1.64 0.00 0.00 178.16 175.90 2giw h LEU 68 N -1.13 0.63 0.13 2.82 -0.00 -0.88 0.19 115.31 117.08 2giw h LEU 68 Ca -0.11 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 2giw h LEU 68 Cb 0.79 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 2giw h LEU 68 CO 0.17 0.39 -0.06 -0.08 -0.00 0.00 0.00 178.44 178.86 2giw h GLU 69 N 0.71 -0.17 -2.02 1.13 4.22 -1.09 -3.42 114.58 113.93 2giw h GLU 69 Ca 0.34 0.01 -0.54 0.00 0.08 0.00 0.00 59.36 59.25 2giw h GLU 69 Cb 0.39 0.04 -0.40 0.00 0.50 0.00 0.00 28.75 29.29 2giw h GLU 69 CO -0.12 0.18 -1.08 -1.71 -2.18 0.00 0.00 179.01 174.10 2giw n ASN 70 N -5.00 0.77 -0.15 1.04 4.05 -0.31 -4.45 115.26 111.20 2giw n ASN 70 Ca -0.09 -2.87 -0.11 0.00 0.45 0.00 0.00 54.58 51.97 2giw n ASN 70 Cb 0.23 -0.63 -0.01 0.00 1.23 0.00 0.00 39.78 40.59 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 3.70 0.81 -0.02 1.20 0.13 -0.85 0.41 132.00 137.38 2giw h PRO 71 Ca 0.09 -0.29 0.01 0.00 -0.87 0.00 0.00 66.00 64.94 2giw h PRO 71 Cb 0.88 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 2giw h PRO 71 CO 0.51 0.90 0.03 -0.22 -0.23 0.00 0.00 178.00 179.00 2giw h LYS 72 N 0.64 0.00 0.00 0.86 3.64 -1.85 -0.85 116.57 119.02 2giw h LYS 72 Ca 0.12 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 2giw h LYS 72 Cb 0.57 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2giw h LYS 72 CO 0.03 0.00 -0.86 -0.22 -2.27 0.00 0.00 179.45 176.13 2giw h LYS 73 N 0.00 0.00 -0.79 1.90 3.64 -1.37 -3.32 116.57 116.63 2giw h LYS 73 Ca 0.01 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.55 2giw h LYS 73 Cb 0.08 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.80 2giw h LYS 73 CO -0.00 0.81 0.32 -0.92 -2.27 0.00 0.00 179.45 177.40 2giw h TYR 74 N -1.00 0.55 -3.48 1.91 3.20 -0.82 -3.36 116.97 113.97 2giw h TYR 74 Ca -0.22 0.04 -0.58 0.00 3.14 0.00 0.00 58.73 61.11 2giw h TYR 74 Cb 1.08 -0.12 -0.39 0.00 1.54 0.00 0.00 36.73 38.83 2giw h TYR 74 CO 0.08 0.05 -0.77 0.42 -1.64 0.00 0.00 178.16 176.30 2giw s ILE 75 N -5.99 1.19 -1.23 1.81 1.01 -0.35 -5.07 121.20 112.57 2giw s ILE 75 Ca -0.12 -1.09 -0.18 0.00 0.00 0.00 0.00 60.65 59.25 2giw s ILE 75 Cb 0.21 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 2giw s ILE 75 CO 0.77 -0.22 1.97 -0.81 0.00 0.00 0.00 174.94 176.65 2giw n PRO 76 N 4.79 2.49 0.00 2.79 -0.04 -1.25 -3.53 135.00 140.24 2giw n PRO 76 Ca -0.09 -2.64 0.00 0.00 -0.04 0.00 0.00 63.50 60.72 2giw n PRO 76 Cb 0.45 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 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 4.86 0.58 3.91 0.55 0.00 -1.26 -4.98 105.19 108.85 2giw n GLY 77 Ca 0.49 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 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 2.67 -1.42 2.61 -1.32 -1.23 -4.60 115.64 112.34 2giw s THR 78 Ca 0.00 0.02 0.28 0.00 -1.21 0.00 0.00 61.69 60.78 2giw s THR 78 Cb 0.00 -3.17 0.33 0.00 -1.51 0.00 0.00 72.50 68.14 2giw s THR 78 CO 0.00 -0.21 1.78 0.29 -2.21 0.00 0.00 174.62 174.27 2giw n LYS 79 N -3.01 0.45 -2.43 7.08 5.02 -1.26 -4.89 118.16 119.13 2giw n LYS 79 Ca 0.07 -0.16 -0.40 0.00 -2.02 0.00 0.00 58.31 55.80 2giw n LYS 79 Cb 0.59 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.07 2giw n LYS 79 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2giw s MET 80 N -2.66 4.55 -0.46 1.97 1.75 -1.26 -5.01 119.30 118.17 2giw s MET 80 Ca 0.23 1.84 0.02 0.00 -1.25 0.00 0.00 55.69 56.53 2giw s MET 80 Cb 0.19 -3.11 0.13 0.00 2.84 0.00 0.00 34.83 34.89 2giw s MET 80 CO 0.53 0.12 0.25 0.42 -0.65 0.00 0.00 175.02 175.68 2giw s ILE 81 N -1.20 1.64 -0.48 10.11 -1.09 -1.26 -4.89 121.20 124.03 2giw s ILE 81 Ca 0.46 -2.72 0.05 0.00 -2.23 0.00 0.00 60.65 56.22 2giw s ILE 81 Cb -0.32 -2.15 0.22 0.00 -1.58 0.00 0.00 42.46 38.63 2giw s ILE 81 CO 0.42 -0.88 0.85 0.33 -1.23 0.00 0.00 174.94 174.43 2giw n PHE 82 N 3.44 -3.25 -0.20 3.97 7.35 -1.26 -5.05 117.46 122.47 2giw n PHE 82 Ca 0.08 -1.45 0.00 0.00 -0.76 0.00 0.00 57.45 55.32 2giw n PHE 82 Cb 0.34 1.48 0.24 0.00 0.35 0.00 0.00 39.48 41.89 2giw n PHE 82 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2giw h ALA 83 N 4.41 1.43 -2.77 3.13 0.00 -1.93 -3.40 119.26 120.13 2giw h ALA 83 Ca -0.05 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2giw h ALA 83 Cb 1.08 -0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 2giw h ALA 83 CO 0.13 0.50 -0.18 0.20 0.00 0.00 0.00 179.25 179.90 2giw s GLY 84 N -3.42 0.43 -0.09 0.00 0.00 -1.26 -4.72 107.32 98.26 2giw s GLY 84 Ca -0.11 -0.79 -0.07 0.00 0.00 0.00 0.00 44.72 43.75 2giw s GLY 84 CO 0.78 -0.66 -0.17 4.51 0.00 0.00 0.00 173.10 177.57 2giw n ILE 85 N -0.31 0.98 0.07 0.90 3.06 -1.26 -5.06 119.36 117.73 2giw n ILE 85 Ca -0.05 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 2giw n ILE 85 Cb 0.62 -1.79 0.00 0.00 0.54 0.00 0.00 39.64 39.02 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 -3.74 0.00 0.12 9.51 4.81 -1.26 -4.95 118.16 122.65 2giw n LYS 86 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 2giw n LYS 86 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 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 -2.72 0.00 0.00 1.64 3.00 -1.26 -5.06 118.16 113.77 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 -3.07 0.00 -0.09 1.64 -0.00 -1.26 -4.98 118.16 110.41 2giw n LYS 88 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 2giw n LYS 88 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.03 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 0.60 -0.70 0.58 2.02 -1.99 -1.85 112.91 111.58 2giw h THR 89 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2giw h THR 89 Cb 0.00 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 2giw h THR 89 CO 0.00 0.00 0.46 -0.08 0.37 0.00 0.00 175.52 176.27 2giw h GLU 90 N -0.05 0.92 -0.01 6.66 4.81 -1.94 0.28 114.58 125.25 2giw h GLU 90 Ca 0.16 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2giw h GLU 90 Cb 0.30 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 2giw h GLU 90 CO -0.36 0.61 0.01 -0.09 -0.73 0.00 0.00 179.01 178.45 2giw h ARG 91 N 0.95 0.00 0.00 1.92 2.43 -1.71 -0.99 114.38 116.98 2giw h ARG 91 Ca 0.25 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.11 2giw h ARG 91 Cb -0.10 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.39 2giw h ARG 91 CO -0.05 0.00 -2.29 -1.91 -1.51 0.00 0.00 179.97 174.21 2giw n GLU 92 N -4.14 0.68 0.02 0.20 4.07 0.19 -3.94 120.64 117.73 2giw n GLU 92 Ca -0.03 -0.02 -0.11 0.00 -0.06 0.00 0.00 57.16 56.94 2giw n GLU 92 Cb 0.09 -1.54 -0.08 0.00 -0.06 0.00 0.00 31.44 29.86 2giw n GLU 92 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2giw h ASP 93 N 0.00 -0.13 -0.51 4.31 1.82 -0.25 0.38 116.42 122.04 2giw h ASP 93 Ca -0.46 -0.44 0.07 0.00 -0.39 0.00 0.00 57.03 55.81 2giw h ASP 93 Cb 2.05 0.03 -0.06 0.00 0.68 0.00 0.00 39.33 42.04 2giw h ASP 93 CO 0.03 0.48 0.20 -0.07 -1.61 0.00 0.00 179.24 178.27 2giw h LEU 94 N -0.85 0.23 0.00 2.28 -0.00 -1.42 0.09 115.31 115.64 2giw h LEU 94 Ca -0.02 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2giw h LEU 94 Cb 0.56 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 2giw h LEU 94 CO 0.03 0.16 0.00 -0.38 -0.00 0.00 0.00 178.44 178.25 2giw n ILE 95 N -4.97 0.46 -0.07 1.22 2.08 -1.25 -1.36 119.36 115.47 2giw n ILE 95 Ca 0.05 0.12 -0.22 0.00 0.56 0.00 0.00 62.75 63.26 2giw n ILE 95 Cb 0.19 -0.76 -0.12 0.00 -0.75 0.00 0.00 39.64 38.20 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 -1.41 0.90 -0.09 -1.39 0.00 -0.16 -3.47 120.51 114.90 2giw n ALA 96 Ca 0.07 -0.62 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 2giw n ALA 96 Cb 0.21 -0.51 -0.04 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.55 -1.12 0.00 0.00 3.20 -0.78 -0.74 116.97 116.98 2giw h TYR 97 Ca -0.43 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.50 2giw h TYR 97 Cb 1.64 0.54 -0.00 0.00 1.54 0.00 0.00 36.73 40.44 2giw h TYR 97 CO 0.07 -0.43 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.07 2giw h LEU 98 N -0.35 0.00 -0.29 2.82 3.38 -1.38 0.15 115.31 119.65 2giw h LEU 98 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2giw h LEU 98 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2giw h LEU 98 CO -0.51 0.02 0.00 1.17 0.09 0.00 0.00 178.44 179.21 2giw n LYS 99 N -3.37 0.08 -0.01 1.13 4.81 -0.29 -1.74 118.16 118.77 2giw n LYS 99 Ca -0.02 0.33 0.01 0.00 -0.87 0.00 0.00 58.31 57.75 2giw n LYS 99 Cb 0.13 -1.65 -0.03 0.00 0.02 0.00 0.00 35.03 33.49 2giw n LYS 99 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2giw n LYS 100 N -1.79 1.20 -0.02 1.64 -0.00 0.24 -4.57 118.16 114.86 2giw n LYS 100 Ca 0.03 -0.03 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 2giw n LYS 100 Cb 0.18 -1.11 0.40 0.00 -0.00 0.00 0.00 35.03 34.50 2giw n LYS 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2giw h ALA 101 N 0.34 1.66 0.00 0.58 0.00 -0.37 0.22 119.26 121.69 2giw h ALA 101 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2giw h ALA 101 Cb 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2giw h ALA 101 CO 0.00 0.31 0.14 0.00 0.00 0.00 0.00 179.25 179.70 2giw h THR 102 N 0.60 0.00 0.00 0.00 1.03 -1.48 -3.30 112.91 109.76 2giw h THR 102 Ca 0.16 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.51 2giw h THR 102 Cb -0.04 0.83 -0.01 0.00 -1.07 0.00 0.00 68.15 67.86 2giw h THR 102 CO -0.03 0.00 -1.18 -3.20 -0.01 0.00 0.00 175.52 171.10 2giw n ASN 103 N -2.95 4.05 0.00 0.00 5.15 0.13 -4.70 115.26 116.95 2giw n ASN 103 Ca -0.02 -0.01 0.12 0.00 -0.60 0.00 0.00 54.58 54.06 2giw n ASN 103 Cb 0.20 0.25 0.69 0.00 -0.53 0.00 0.00 39.78 40.39 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82