#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 3.15 0.24 1.61 1.11 -1.26 -4.64 116.67 116.87 2giw s ASP 2 Ca 0.00 -0.99 0.01 0.00 0.18 0.00 0.00 52.55 51.75 2giw s ASP 2 Cb 0.00 -0.23 0.26 0.00 1.07 0.00 0.00 42.92 44.02 2giw s ASP 2 CO 0.00 -0.03 1.60 1.62 1.18 0.00 0.00 175.17 179.55 2giw h VAL 3 N 2.56 1.31 0.24 -1.27 3.04 -1.85 0.19 116.25 120.48 2giw h VAL 3 Ca -0.40 -1.62 0.00 0.00 -1.01 0.00 0.00 66.70 63.67 2giw h VAL 3 Cb 1.24 1.65 -0.02 0.00 -2.01 0.00 0.00 31.29 32.15 2giw h VAL 3 CO 0.58 0.50 -0.23 -0.33 -1.01 0.00 0.00 177.57 177.09 2giw h GLU 4 N 0.37 -0.48 0.08 4.17 4.39 -1.96 0.14 114.58 121.30 2giw h GLU 4 Ca 0.03 0.03 -0.25 0.00 0.34 0.00 0.00 59.36 59.51 2giw h GLU 4 Cb 0.93 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2giw h GLU 4 CO 0.08 -0.32 -1.12 0.87 -1.16 0.00 0.00 179.01 177.36 2giw h LYS 5 N -0.49 0.30 0.02 2.33 1.57 -1.94 -3.07 116.57 115.29 2giw h LYS 5 Ca -0.01 -0.44 0.02 0.00 -1.87 0.00 0.00 60.65 58.36 2giw h LYS 5 Cb 0.46 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2giw h LYS 5 CO -0.05 1.16 -0.12 0.78 -0.57 0.00 0.00 179.45 180.65 2giw h GLY 6 N 1.51 -0.16 1.25 3.86 0.00 -0.36 -0.40 103.07 108.77 2giw h GLY 6 Ca -0.11 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 2giw h GLY 6 CO 0.19 -0.13 0.17 0.07 0.00 0.00 0.00 176.54 176.84 2giw h LYS 7 N -0.22 0.94 0.26 4.80 2.10 -0.83 0.14 116.57 123.76 2giw h LYS 7 Ca 0.04 -0.19 -0.01 0.00 -2.00 0.00 0.00 60.65 58.49 2giw h LYS 7 Cb 0.26 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2giw h LYS 7 CO -0.11 0.82 -0.13 0.87 -2.00 0.00 0.00 179.45 178.90 2giw h LYS 8 N 0.90 -0.34 -0.33 0.07 1.79 -1.37 0.59 116.57 117.88 2giw h LYS 8 Ca 0.20 0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.61 2giw h LYS 8 Cb 0.29 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 2giw h LYS 8 CO -0.01 -0.05 -0.10 0.82 -1.08 0.00 0.00 179.45 179.03 2giw h ILE 9 N -0.63 1.28 -0.02 1.86 2.04 -0.94 0.19 117.51 121.30 2giw h ILE 9 Ca -0.04 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.66 2giw h ILE 9 Cb 0.45 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2giw h ILE 9 CO 0.06 0.38 -0.21 0.15 0.00 0.00 0.00 178.15 178.53 2giw h PHE 10 N 0.42 -0.63 -0.92 1.37 3.57 -0.74 -1.84 116.94 118.17 2giw h PHE 10 Ca 0.08 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.76 2giw h PHE 10 Cb 0.61 0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.55 2giw h PHE 10 CO 0.05 -0.22 0.59 0.28 -2.23 0.00 0.00 178.31 176.78 2giw h VAL 11 N -0.26 0.79 -0.61 1.41 2.07 -0.68 0.66 116.25 119.63 2giw h VAL 11 Ca 0.01 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.37 2giw h VAL 11 Cb 0.28 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.05 2giw h VAL 11 CO -0.15 0.12 0.29 -0.61 0.02 0.00 0.00 177.57 177.24 2giw h GLN 12 N 0.66 0.52 0.00 1.57 4.15 -0.40 -3.22 115.11 118.39 2giw h GLN 12 Ca 0.48 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.87 2giw h GLN 12 Cb 0.83 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.40 2giw h GLN 12 CO -0.23 0.34 0.00 1.63 -1.93 0.00 0.00 178.83 178.64 2giw n LYS 13 N -4.89 1.60 0.00 1.69 4.01 0.42 -4.82 118.16 116.16 2giw n LYS 13 Ca 0.08 -1.05 0.00 0.00 -0.51 0.00 0.00 58.31 56.83 2giw n LYS 13 Cb 0.21 -0.85 0.00 0.00 -0.51 0.00 0.00 35.03 33.88 2giw n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2giw h ALA 15 N 0.00 2.20 -1.00 0.00 0.00 -1.56 0.90 119.26 119.80 2giw h ALA 15 Ca 0.00 -0.01 0.31 0.00 0.00 0.00 0.00 54.91 55.21 2giw h ALA 15 Cb 0.69 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.37 2giw h ALA 15 CO 0.00 -0.54 0.56 0.37 0.00 0.00 0.00 179.25 179.64 2giw h GLN 16 N 0.00 0.34 0.04 0.00 4.15 -1.88 -2.17 115.11 115.59 2giw h GLN 16 Ca 0.18 -0.02 -0.38 0.00 0.77 0.00 0.00 58.65 59.21 2giw h GLN 16 Cb 0.86 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.42 2giw h GLN 16 CO -0.00 0.23 -2.23 0.00 -1.93 0.00 0.00 178.83 174.90 2giw n HIS 18 N -3.53 3.28 -1.22 0.00 8.25 -0.13 -4.12 115.22 117.75 2giw n HIS 18 Ca -0.41 -4.17 -0.36 0.00 -0.26 0.00 0.00 57.72 52.52 2giw n HIS 18 Cb 0.98 -0.56 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 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 1.27 3.77 -0.96 1.59 -1.04 -1.09 -4.08 114.28 113.73 2giw n THR 19 Ca 0.26 -2.35 -0.20 0.00 -2.04 0.00 0.00 64.05 59.73 2giw n THR 19 Cb 0.40 -2.50 -0.10 0.00 -1.82 0.00 0.00 70.33 66.31 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 3.92 3.03 0.00 12.58 3.14 -1.26 -2.22 118.33 137.53 2giw n VAL 20 Ca 0.68 -1.66 0.00 0.00 -2.96 0.00 0.00 64.34 60.40 2giw n VAL 20 Cb 0.23 -2.15 0.00 0.00 -1.06 0.00 0.00 33.84 30.86 2giw n VAL 20 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2giw n GLU 21 N 3.07 0.00 -0.65 1.45 1.02 -1.26 -4.92 120.64 119.35 2giw n GLU 21 Ca 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.59 2giw n GLU 21 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.91 2giw n GLU 21 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2giw n LYS 22 N -2.11 1.30 -3.43 3.49 -0.00 -1.25 -4.68 118.16 111.48 2giw n LYS 22 Ca 0.00 -0.34 -0.19 0.00 -0.00 0.00 0.00 58.31 57.78 2giw n LYS 22 Cb 0.00 -1.37 0.03 0.00 -0.00 0.00 0.00 35.03 33.70 2giw n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2giw n GLY 23 N 1.89 -1.14 0.00 2.58 0.00 -1.26 -5.02 105.19 102.24 2giw n GLY 23 Ca 0.15 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -1.59 -2.29 0.00 -0.02 0.00 -0.94 -5.07 105.19 95.28 2giw n GLY 24 Ca -0.09 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.48 0.00 0.00 1.61 4.76 -1.26 -4.85 118.16 117.94 2giw n LYS 25 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2giw n LYS 25 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2giw n LYS 25 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2giw n HIS 26 N 0.00 0.00 -0.47 2.13 8.25 -1.26 -0.23 115.22 123.64 2giw n HIS 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2giw n HIS 26 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.91 -0.41 4.81 -1.26 -4.57 118.16 114.82 2giw n LYS 27 Ca 0.00 0.16 -0.14 0.00 -0.87 0.00 0.00 58.31 57.46 2giw n LYS 27 Cb 0.00 -0.47 -0.03 0.00 0.02 0.00 0.00 35.03 34.55 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 -0.22 -0.39 0.00 3.15 -1.04 -1.26 -4.88 114.28 109.64 2giw n THR 28 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2giw n THR 28 Cb 0.06 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 66.69 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 -1.12 -1.09 3.69 3.41 0.00 -1.26 -4.83 105.19 103.99 2giw n GLY 29 Ca -0.15 0.82 -0.42 0.00 0.00 0.00 0.00 46.02 46.26 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 2.80 -1.68 1.61 -0.04 -1.26 -4.35 135.00 132.08 2giw n PRO 30 Ca 0.00 1.02 -0.56 0.00 -0.04 0.00 0.00 63.50 63.92 2giw n PRO 30 Cb 0.00 -2.92 -0.07 0.00 -0.04 0.00 0.00 33.50 30.47 2giw n PRO 30 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2giw n ASN 31 N 5.95 2.48 -1.99 3.54 6.94 0.68 -4.80 115.26 128.06 2giw n ASN 31 Ca 0.18 1.01 -0.12 0.00 -0.02 0.00 0.00 54.58 55.63 2giw n ASN 31 Cb 0.38 -1.17 -0.14 0.00 -2.36 0.00 0.00 39.78 36.48 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 5.92 5.36 -0.06 -4.53 4.77 -1.26 -4.57 117.00 122.63 2giw n LEU 32 Ca 0.28 -3.17 -0.03 0.00 -0.03 0.00 0.00 56.01 53.06 2giw n LEU 32 Cb 0.15 -1.37 0.21 0.00 -2.33 0.00 0.00 43.42 40.08 2giw n LEU 32 CO 0.80 1.63 0.88 -0.74 -1.33 0.00 0.00 177.39 178.63 2giw h HIS 33 N 2.78 0.72 -2.64 -1.77 2.76 -1.87 -3.36 115.15 111.77 2giw h HIS 33 Ca 0.19 -0.10 -0.22 0.00 -2.20 0.00 0.00 60.37 58.04 2giw h HIS 33 Cb 1.40 -0.20 -0.32 0.00 1.55 0.00 0.00 27.41 29.84 2giw h HIS 33 CO 1.60 0.69 -0.53 0.20 -1.30 0.00 0.00 177.93 178.59 2giw s GLY 34 N -3.79 -0.14 0.02 5.26 0.00 -1.26 -4.27 107.32 103.13 2giw s GLY 34 Ca -0.09 0.83 -0.05 0.00 0.00 0.00 0.00 44.72 45.42 2giw s GLY 34 CO 0.79 2.13 -0.09 1.04 0.00 0.00 0.00 173.10 176.97 2giw n LEU 35 N 5.35 1.23 -4.58 0.66 4.77 -1.26 -4.68 117.00 118.49 2giw n LEU 35 Ca -0.06 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 2giw n LEU 35 Cb 0.50 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2giw n LEU 35 CO 0.04 -0.54 1.53 -0.36 -1.33 0.00 0.00 177.39 176.73 2giw s PHE 36 N -2.22 1.82 0.00 -1.77 0.40 -1.20 -0.50 117.98 114.51 2giw s PHE 36 Ca -0.08 0.69 0.00 0.00 -0.60 0.00 0.00 56.93 56.94 2giw s PHE 36 Cb 0.01 -4.13 0.00 0.00 0.51 0.00 0.00 43.02 39.42 2giw s PHE 36 CO 0.11 -2.66 0.00 0.41 0.70 0.00 0.00 175.22 173.78 2giw n GLY 37 N 5.47 0.36 3.59 4.36 0.00 -0.74 -5.04 105.19 113.19 2giw n GLY 37 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.93 3.71 -0.73 1.61 6.06 0.35 -4.96 118.95 124.06 2giw s ARG 38 Ca 0.00 0.41 -0.29 0.00 -2.50 0.00 0.00 55.73 53.35 2giw s ARG 38 Cb 0.00 -3.86 -0.15 0.00 0.06 0.00 0.00 34.95 31.00 2giw s ARG 38 CO 0.00 -1.10 2.54 1.63 -2.50 0.00 0.00 175.30 175.87 2giw n LYS 39 N 7.04 0.52 -1.42 5.12 5.02 -1.26 -3.65 118.16 129.52 2giw n LYS 39 Ca 0.07 0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 56.09 2giw n LYS 39 Cb 0.48 -2.41 0.15 0.00 -0.02 0.00 0.00 35.03 33.23 2giw n LYS 39 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2giw s THR 40 N 10.28 1.99 0.00 -0.18 2.01 -0.15 -3.94 115.64 125.65 2giw s THR 40 Ca 1.18 0.00 0.00 0.00 0.31 0.00 0.00 61.69 63.18 2giw s THR 40 Cb -0.77 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.07 2giw s THR 40 CO 0.39 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 2giw n GLY 41 N -1.88 1.88 0.16 4.40 0.00 -1.26 -4.10 105.19 104.40 2giw n GLY 41 Ca 0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 2giw n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2giw h GLN 42 N 0.00 -0.35 -5.29 1.61 5.75 -1.78 -3.42 115.11 111.64 2giw h GLN 42 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2giw h GLN 42 Cb 0.00 0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.57 2giw h GLN 42 CO 0.00 -0.23 -0.85 0.00 -2.65 0.00 0.00 178.83 175.10 2giw n ALA 43 N -2.34 -2.35 -2.18 3.38 0.00 -1.25 -4.74 120.51 111.03 2giw n ALA 43 Ca -0.04 1.19 -0.42 0.00 0.00 0.00 0.00 53.44 54.16 2giw n ALA 43 Cb 0.15 -2.59 -0.03 0.00 0.00 0.00 0.00 19.45 16.98 2giw n ALA 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2giw s PRO 44 N -0.37 4.23 0.00 0.00 0.04 -1.26 -3.44 135.00 134.21 2giw s PRO 44 Ca -0.13 1.99 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2giw s PRO 44 Cb 0.01 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2giw s PRO 44 CO 0.36 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 177.11 2giw n GLY 45 N 3.82 0.73 0.00 0.56 0.00 -1.26 -5.02 105.19 104.02 2giw n GLY 45 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.02 0.00 -3.37 1.61 -0.00 -1.22 -5.02 117.46 107.44 2giw n PHE 46 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 2giw n PHE 46 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2giw n PHE 46 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 2giw n THR 47 N -0.27 0.00 -4.01 -2.13 5.66 -1.26 -4.48 114.28 107.79 2giw n THR 47 Ca 0.00 -0.20 -0.06 0.00 -3.05 0.00 0.00 64.05 60.74 2giw n THR 47 Cb 0.00 0.15 -0.02 0.00 -1.55 0.00 0.00 70.33 68.91 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 -0.08 -0.41 -1.66 1.09 4.11 -1.26 -5.06 117.16 113.88 2giw n TYR 48 Ca -0.01 -0.96 -0.42 0.00 -0.00 0.00 0.00 57.90 56.52 2giw n TYR 48 Cb 0.09 0.13 0.00 0.00 -0.00 0.00 0.00 39.34 39.55 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 -0.22 2.27 -0.34 -3.48 -2.24 -1.26 -4.54 114.28 104.47 2giw n THR 49 Ca 0.02 -0.50 0.20 0.00 -2.27 0.00 0.00 64.05 61.50 2giw n THR 49 Cb 0.21 -1.40 0.44 0.00 -2.10 0.00 0.00 70.33 67.48 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 2.10 0.58 -0.92 3.42 1.82 -1.97 0.22 116.42 121.68 2giw h ASP 50 Ca -0.45 0.12 0.13 0.00 -0.39 0.00 0.00 57.03 56.44 2giw h ASP 50 Cb 1.31 0.03 -0.07 0.00 0.68 0.00 0.00 39.33 41.27 2giw h ASP 50 CO 0.60 0.09 0.59 0.00 -1.61 0.00 0.00 179.24 178.91 2giw h ALA 51 N 1.69 1.73 0.07 -0.78 0.00 -1.89 0.29 119.26 120.38 2giw h ALA 51 Ca 0.63 0.02 -0.35 0.00 0.00 0.00 0.00 54.91 55.21 2giw h ALA 51 Cb 1.36 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2giw h ALA 51 CO -0.41 0.03 -1.97 0.09 0.00 0.00 0.00 179.25 176.99 2giw n ASN 52 N -4.58 1.66 -0.22 0.00 3.02 0.56 -3.98 115.26 111.72 2giw n ASN 52 Ca 0.18 0.24 -0.01 0.00 -0.03 0.00 0.00 54.58 54.95 2giw n ASN 52 Cb 0.43 -0.52 0.10 0.00 -0.61 0.00 0.00 39.78 39.18 2giw n ASN 52 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2giw h LYS 53 N 0.04 0.57 0.00 3.52 3.64 -0.36 -0.33 116.57 123.66 2giw h LYS 53 Ca -0.40 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2giw h LYS 53 Cb 2.03 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.72 2giw h LYS 53 CO 0.07 0.38 -0.01 -0.97 -2.27 0.00 0.00 179.45 176.65 2giw h ASN 54 N 0.59 0.00 -0.55 4.20 -1.24 -0.62 -3.33 115.58 114.63 2giw h ASN 54 Ca 0.29 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.27 2giw h ASN 54 Cb 0.24 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 2giw h ASN 54 CO -0.21 0.01 0.22 0.50 -1.29 0.00 0.00 177.43 176.66 2giw h LYS 55 N 0.00 0.83 -4.64 6.67 1.63 -1.18 -3.47 116.57 116.41 2giw h LYS 55 Ca -0.00 -0.15 -0.40 0.00 -0.85 0.00 0.00 60.65 59.25 2giw h LYS 55 Cb 0.28 -0.13 0.03 0.00 -0.60 0.00 0.00 32.23 31.80 2giw h LYS 55 CO 0.00 0.72 -0.59 0.41 -3.45 0.00 0.00 179.45 176.54 2giw n GLY 56 N -0.81 -0.52 0.00 5.01 0.00 -1.25 -4.99 105.19 102.63 2giw n GLY 56 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.46 -0.61 -5.35 -1.26 -4.76 119.36 100.54 2giw n ILE 57 Ca -0.10 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.39 2giw n ILE 57 Cb 0.61 -0.78 0.01 0.00 -1.74 0.00 0.00 39.64 37.74 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 0.21 -2.01 7.28 -1.04 -1.26 -0.98 114.28 116.48 2giw n THR 58 Ca 0.00 -1.10 0.00 0.00 -2.04 0.00 0.00 64.05 60.91 2giw n THR 58 Cb 0.00 0.94 0.00 0.00 -1.82 0.00 0.00 70.33 69.45 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 0.08 0.00 -2.52 -1.42 7.02 -1.24 -1.79 117.44 117.56 2giw n TRP 59 Ca -0.03 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.22 2giw n TRP 59 Cb 0.98 0.00 0.09 0.00 -2.42 0.00 0.00 31.31 29.95 2giw n TRP 59 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 2giw s LYS 60 N -1.79 1.94 0.37 -0.99 -2.85 -1.26 -3.24 119.74 111.92 2giw s LYS 60 Ca 0.00 -0.88 0.23 0.00 -1.00 0.00 0.00 55.97 54.32 2giw s LYS 60 Cb 0.00 -2.33 1.24 0.00 -2.06 0.00 0.00 37.83 34.68 2giw s LYS 60 CO 0.00 -1.26 1.68 1.05 0.10 0.00 0.00 175.35 176.91 2giw h GLU 61 N -0.42 0.00 0.00 1.78 4.11 -1.96 -0.33 114.58 117.75 2giw h GLU 61 Ca -0.39 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.90 2giw h GLU 61 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 2giw h GLU 61 CO 0.46 0.00 -0.86 0.93 0.07 0.00 0.00 179.01 179.61 2giw h GLU 62 N 0.00 0.00 -0.40 1.06 5.08 -1.99 -3.26 114.58 115.06 2giw h GLU 62 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2giw h GLU 62 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2giw h GLU 62 CO 0.00 0.71 -0.32 1.79 -1.00 0.00 0.00 179.01 180.19 2giw h THR 63 N -1.00 1.27 -0.43 1.13 1.35 -1.79 -1.83 112.91 111.61 2giw h THR 63 Ca -0.21 -1.49 0.05 0.00 -0.55 0.00 0.00 66.41 64.22 2giw h THR 63 Cb 1.01 1.30 -0.05 0.00 -1.73 0.00 0.00 68.15 68.68 2giw h THR 63 CO -0.12 0.50 0.17 -0.07 -0.25 0.00 0.00 175.52 175.74 2giw h LEU 64 N 0.76 0.19 -0.11 3.87 4.07 -1.28 -0.73 115.31 122.07 2giw h LEU 64 Ca 0.08 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2giw h LEU 64 Cb 0.89 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.65 2giw h LEU 64 CO 0.08 0.14 0.07 -0.03 -1.08 0.00 0.00 178.44 177.63 2giw h MET 65 N 0.34 0.15 -0.36 1.13 4.05 -1.47 0.31 114.93 119.08 2giw h MET 65 Ca 0.20 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 2giw h MET 65 Cb 0.18 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 2giw h MET 65 CO -0.19 0.12 0.23 1.49 0.23 0.00 0.00 176.91 178.79 2giw h GLU 66 N 0.14 0.48 0.71 0.39 4.81 -1.19 -0.45 114.58 119.47 2giw h GLU 66 Ca 0.04 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2giw h GLU 66 Cb 0.00 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.29 2giw h GLU 66 CO -0.01 0.34 -0.34 -0.92 -0.73 0.00 0.00 179.01 177.35 2giw h TYR 67 N 0.48 -0.89 -0.81 0.92 3.20 -0.90 -1.00 116.97 117.97 2giw h TYR 67 Ca 0.13 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.04 2giw h TYR 67 Cb -0.03 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 2giw h TYR 67 CO -0.04 -0.55 0.53 -0.07 -1.64 0.00 0.00 178.16 176.38 2giw h LEU 68 N -0.97 0.78 0.17 2.82 -0.00 -0.88 0.10 115.31 117.33 2giw h LEU 68 Ca -0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2giw h LEU 68 Cb 0.74 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.23 2giw h LEU 68 CO 0.16 0.51 -0.11 -0.08 -0.00 0.00 0.00 178.44 178.91 2giw h GLU 69 N 0.89 -0.27 -1.40 1.13 4.81 -0.90 -3.37 114.58 115.47 2giw h GLU 69 Ca 0.34 0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 59.33 2giw h GLU 69 Cb 0.21 0.06 -0.23 0.00 0.63 0.00 0.00 28.75 29.43 2giw h GLU 69 CO -0.12 -0.18 -0.62 1.21 -0.73 0.00 0.00 179.01 178.57 2giw s ASN 70 N -4.95 -0.56 0.04 1.04 3.84 -0.38 -4.06 114.94 109.91 2giw s ASN 70 Ca -0.14 -1.95 -0.18 0.00 0.21 0.00 0.00 52.86 50.79 2giw s ASN 70 Cb 0.06 1.24 -0.18 0.00 -0.55 0.00 0.00 41.25 41.82 2giw s ASN 70 CO 0.65 -0.11 1.23 1.55 -2.79 0.00 0.00 177.10 177.63 2giw h PRO 71 N 5.52 0.49 0.00 0.43 0.13 -1.07 0.07 132.00 137.57 2giw h PRO 71 Ca 0.11 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2giw h PRO 71 Cb 1.06 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2giw h PRO 71 CO 0.12 1.02 0.01 1.63 -0.23 0.00 0.00 178.00 180.55 2giw n LYS 72 N -4.28 0.14 -0.12 0.86 5.02 -1.26 -1.73 118.16 116.79 2giw n LYS 72 Ca -0.08 0.64 -0.25 0.00 -2.02 0.00 0.00 58.31 56.60 2giw n LYS 72 Cb 0.57 -1.97 -0.10 0.00 -0.02 0.00 0.00 35.03 33.51 2giw n LYS 72 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2giw n LYS 73 N -2.27 0.57 -0.30 1.97 3.00 -0.72 -4.25 118.16 116.17 2giw n LYS 73 Ca -0.01 0.38 0.12 0.00 -0.00 0.00 0.00 58.31 58.79 2giw n LYS 73 Cb 0.04 -1.58 0.28 0.00 0.00 0.00 0.00 35.03 33.77 2giw n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2giw h TYR 74 N -1.00 0.66 -3.66 5.64 3.20 -0.75 -3.39 116.97 117.67 2giw h TYR 74 Ca -0.53 0.04 -0.68 0.00 3.14 0.00 0.00 58.73 60.70 2giw h TYR 74 Cb 1.45 -0.16 -0.31 0.00 1.54 0.00 0.00 36.73 39.25 2giw h TYR 74 CO -0.05 0.00 -0.86 0.42 -1.64 0.00 0.00 178.16 176.04 2giw s ILE 75 N -5.91 2.24 -1.01 1.81 1.01 -0.71 -5.05 121.20 113.58 2giw s ILE 75 Ca -0.12 -0.98 -0.21 0.00 0.00 0.00 0.00 60.65 59.34 2giw s ILE 75 Cb 0.24 -1.85 -0.10 0.00 0.01 0.00 0.00 42.46 40.77 2giw s ILE 75 CO 0.78 0.56 1.94 -0.81 0.00 0.00 0.00 174.94 177.41 2giw n PRO 76 N 3.21 1.80 -1.05 2.79 -0.04 -1.26 -4.20 135.00 136.25 2giw n PRO 76 Ca -0.18 -2.24 0.00 0.00 -0.04 0.00 0.00 63.50 61.04 2giw n PRO 76 Cb 0.52 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 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 4.97 -0.26 3.93 0.55 0.00 -1.26 -4.86 105.19 108.26 2giw n GLY 77 Ca 0.48 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.71 2.06 -0.09 2.61 -1.32 -1.26 -4.62 115.64 112.30 2giw s THR 78 Ca 0.00 -0.11 0.19 0.00 -1.21 0.00 0.00 61.69 60.56 2giw s THR 78 Cb 0.00 -2.94 0.15 0.00 -1.51 0.00 0.00 72.50 68.20 2giw s THR 78 CO 0.00 0.00 1.60 0.50 -2.21 0.00 0.00 174.62 174.51 2giw h LYS 79 N -1.22 0.00 -6.99 7.08 3.64 -1.99 -3.46 116.57 113.63 2giw h LYS 79 Ca -0.44 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.42 2giw h LYS 79 Cb 1.27 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.18 2giw h LYS 79 CO 0.48 0.35 0.55 1.41 -2.27 0.00 0.00 179.45 179.97 2giw s MET 80 N -3.23 3.70 -0.46 1.90 1.75 -1.26 -5.00 119.30 116.69 2giw s MET 80 Ca 0.03 2.00 0.03 0.00 -1.25 0.00 0.00 55.69 56.50 2giw s MET 80 Cb 0.08 -2.49 0.13 0.00 2.84 0.00 0.00 34.83 35.39 2giw s MET 80 CO 0.70 -0.67 0.24 0.42 -0.65 0.00 0.00 175.02 175.06 2giw s ILE 81 N -1.39 1.76 0.13 10.11 -1.09 -1.26 -4.92 121.20 124.53 2giw s ILE 81 Ca 0.63 -2.75 -0.24 0.00 -2.23 0.00 0.00 60.65 56.06 2giw s ILE 81 Cb -0.34 -2.23 0.08 0.00 -1.58 0.00 0.00 42.46 38.38 2giw s ILE 81 CO 0.42 -0.86 0.66 0.12 -1.23 0.00 0.00 174.94 174.06 2giw s PHE 82 N 0.20 -0.49 -0.40 3.97 5.36 -1.26 -5.13 117.98 120.23 2giw s PHE 82 Ca 0.17 0.29 -0.02 0.00 -0.96 0.00 0.00 56.93 56.41 2giw s PHE 82 Cb -0.25 0.56 0.20 0.00 -0.34 0.00 0.00 43.02 43.19 2giw s PHE 82 CO -0.00 -0.79 0.96 0.00 -1.46 0.00 0.00 175.22 173.92 2giw s ALA 83 N -3.62 -3.65 0.00 11.12 0.00 -1.26 -4.51 121.76 119.84 2giw s ALA 83 Ca 0.02 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2giw s ALA 83 Cb -0.01 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.22 2giw s ALA 83 CO -0.12 -2.42 0.00 0.41 0.00 0.00 0.00 175.76 173.63 2giw n GLY 84 N 2.86 -2.75 0.94 0.00 0.00 -1.26 -5.02 105.19 99.96 2giw n GLY 84 Ca 0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 46.02 44.79 2giw n GLY 84 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2giw n ILE 85 N -1.64 0.36 0.03 -0.61 0.13 -1.26 -5.05 119.36 111.32 2giw n ILE 85 Ca -0.00 0.05 0.00 0.00 -1.10 0.00 0.00 62.75 61.70 2giw n ILE 85 Cb 0.00 -1.56 0.00 0.00 -0.84 0.00 0.00 39.64 37.24 2giw n ILE 85 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 2giw n LYS 86 N -3.20 0.00 0.02 9.51 4.76 -1.26 -5.10 118.16 122.88 2giw n LYS 86 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2giw n LYS 86 Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 2giw n LYS 86 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2giw n LYS 87 N -2.67 0.00 0.00 1.97 4.81 -1.26 -5.07 118.16 115.94 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 0.36 1.17 0.00 0.00 177.40 178.93 2giw n LYS 88 N -2.37 0.00 -0.06 1.64 -0.00 -1.26 -4.84 118.16 111.26 2giw n LYS 88 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 2giw n LYS 88 Cb 0.00 -0.11 -0.04 0.00 -0.00 0.00 0.00 35.03 34.87 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 0.17 0.00 0.58 2.02 -1.99 -0.99 112.91 112.69 2giw h THR 89 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2giw h THR 89 Cb 0.00 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 2giw h THR 89 CO 0.00 0.00 -0.34 -0.33 0.37 0.00 0.00 175.52 175.22 2giw h GLU 90 N -0.38 0.00 0.00 6.66 3.07 -1.98 0.82 114.58 122.76 2giw h GLU 90 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2giw h GLU 90 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2giw h GLU 90 CO -0.48 0.34 0.00 -2.13 -1.40 0.00 0.00 179.01 175.35 2giw n ARG 91 N -3.78 0.62 0.00 2.33 0.63 -0.43 -0.98 116.66 115.06 2giw n ARG 91 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2giw n ARG 91 Cb 0.43 -1.21 0.00 0.00 0.45 0.00 0.00 32.46 32.13 2giw n ARG 91 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2giw n GLU 92 N -0.71 2.06 -0.06 -0.14 4.07 0.19 -4.68 120.64 121.37 2giw n GLU 92 Ca 0.06 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.01 2giw n GLU 92 Cb 0.03 -0.98 -0.13 0.00 -0.06 0.00 0.00 31.44 30.30 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 0.05 -0.15 4.31 3.32 -0.93 0.33 116.42 123.36 2giw h ASP 93 Ca 0.00 -0.98 0.05 0.00 0.02 0.00 0.00 57.03 56.12 2giw h ASP 93 Cb 0.48 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.95 2giw h ASP 93 CO 0.00 1.06 -0.25 -0.07 -1.72 0.00 0.00 179.24 178.26 2giw h LEU 94 N -0.93 -0.77 0.00 1.55 -0.00 -1.32 0.90 115.31 114.75 2giw h LEU 94 Ca -0.03 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2giw h LEU 94 Cb 1.08 0.35 0.00 0.00 -0.00 0.00 0.00 40.66 42.09 2giw h LEU 94 CO 0.01 -0.29 0.00 -0.38 -0.00 0.00 0.00 178.44 177.78 2giw n ILE 95 N -5.37 0.14 -0.11 1.22 5.41 -1.26 -1.58 119.36 117.81 2giw n ILE 95 Ca -0.02 0.04 -0.21 0.00 1.00 0.00 0.00 62.75 63.55 2giw n ILE 95 Cb 0.29 -0.68 -0.10 0.00 -0.71 0.00 0.00 39.64 38.44 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 -1.12 0.81 0.03 -1.39 0.00 0.13 -3.79 120.51 115.18 2giw n ALA 96 Ca 0.14 -0.58 -0.12 0.00 0.00 0.00 0.00 53.44 52.88 2giw n ALA 96 Cb 0.12 -0.38 -0.06 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 -1.00 -1.09 -0.00 0.00 3.20 -0.75 -1.86 116.97 115.47 2giw h TYR 97 Ca -0.35 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.56 2giw h TYR 97 Cb 1.25 0.49 -0.00 0.00 1.54 0.00 0.00 36.73 40.01 2giw h TYR 97 CO 0.02 -0.46 0.00 -0.07 -1.64 0.00 0.00 178.16 176.01 2giw h LEU 98 N -0.50 0.00 0.00 2.82 3.38 -1.49 0.17 115.31 119.68 2giw h LEU 98 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2giw h LEU 98 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2giw h LEU 98 CO -0.34 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.36 2giw n LYS 99 N -3.74 0.19 -0.01 1.13 4.81 -0.70 -1.80 118.16 118.03 2giw n LYS 99 Ca -0.03 0.15 -0.02 0.00 -0.87 0.00 0.00 58.31 57.54 2giw n LYS 99 Cb 0.08 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.62 2giw n LYS 99 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2giw n LYS 100 N -1.31 0.06 -0.25 1.64 5.02 0.37 -4.71 118.16 118.97 2giw n LYS 100 Ca 0.07 0.02 0.05 0.00 -2.02 0.00 0.00 58.31 56.42 2giw n LYS 100 Cb 0.13 -0.90 0.18 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 -0.52 0.00 0.00 177.40 176.88 2giw h ALA 101 N -0.03 1.02 0.00 7.82 0.00 -0.87 0.71 119.26 127.92 2giw h ALA 101 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2giw h ALA 101 Cb 1.07 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2giw h ALA 101 CO -0.02 -0.21 0.19 -2.37 0.00 0.00 0.00 179.25 176.85 2giw n THR 102 N -5.00 1.19 -2.37 0.00 5.66 -0.75 -1.53 114.28 111.48 2giw n THR 102 Ca 0.14 0.53 -0.02 0.00 -3.05 0.00 0.00 64.05 61.65 2giw n THR 102 Cb 0.40 -1.53 0.01 0.00 -1.55 0.00 0.00 70.33 67.65 2giw n THR 102 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2giw n ASN 103 N -1.42 -0.10 0.00 1.09 6.94 0.06 -4.40 115.26 117.42 2giw n ASN 103 Ca -0.00 -2.04 0.15 0.00 -0.02 0.00 0.00 54.58 52.67 2giw n ASN 103 Cb 0.20 0.07 0.89 0.00 -2.36 0.00 0.00 39.78 38.57 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39