#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2giw n ASP 2 N 0.00 0.65 0.00 1.61 2.03 -1.26 -4.88 116.55 114.70 2giw n ASP 2 Ca 0.00 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.49 2giw n ASP 2 Cb 0.00 0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 2giw n ASP 2 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2giw n VAL 3 N -0.55 0.00 0.02 5.18 0.31 -1.26 -4.15 118.33 117.88 2giw n VAL 3 Ca 0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 2giw n VAL 3 Cb 0.08 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.93 2giw n VAL 3 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2giw h GLU 4 N 0.00 0.03 -0.84 5.55 4.39 -1.96 0.07 114.58 121.82 2giw h GLU 4 Ca 0.00 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.75 2giw h GLU 4 Cb 0.00 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 2giw h GLU 4 CO 0.00 0.11 0.53 0.87 -1.16 0.00 0.00 179.01 179.35 2giw h LYS 5 N -0.05 0.94 -0.53 2.33 1.57 -1.96 0.51 116.57 119.40 2giw h LYS 5 Ca 0.01 -0.06 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2giw h LYS 5 Cb 0.08 -0.21 -0.10 0.00 0.08 0.00 0.00 32.23 32.08 2giw h LYS 5 CO -0.00 0.63 -0.37 0.78 -0.57 0.00 0.00 179.45 179.91 2giw h GLY 6 N 0.97 -0.30 1.05 3.86 0.00 -1.46 0.28 103.07 107.48 2giw h GLY 6 Ca 0.36 0.48 -0.08 0.00 0.00 0.00 0.00 47.33 48.09 2giw h GLY 6 CO -0.16 -0.19 0.05 0.07 0.00 0.00 0.00 176.54 176.31 2giw h LYS 7 N -0.22 1.01 0.00 4.80 2.10 -0.21 0.80 116.57 124.86 2giw h LYS 7 Ca 0.19 -0.30 -0.05 0.00 -2.00 0.00 0.00 60.65 58.50 2giw h LYS 7 Cb 0.56 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2giw h LYS 7 CO -0.64 0.98 -0.24 -0.22 -2.00 0.00 0.00 179.45 177.33 2giw h LYS 8 N 0.91 0.00 0.06 0.07 1.63 -0.19 -0.45 116.57 118.61 2giw h LYS 8 Ca 0.17 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.76 2giw h LYS 8 Cb 0.49 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 2giw h LYS 8 CO 0.02 0.24 -1.13 0.82 -3.45 0.00 0.00 179.45 175.95 2giw h ILE 9 N 0.00 1.13 -0.10 2.00 1.08 -0.39 -3.18 117.51 118.05 2giw h ILE 9 Ca -0.00 -2.33 0.02 0.00 -0.39 0.00 0.00 64.86 62.16 2giw h ILE 9 Cb 1.06 2.69 -0.04 0.00 -3.07 0.00 0.00 36.82 37.46 2giw h ILE 9 CO 0.03 0.58 -0.36 0.15 -0.69 0.00 0.00 178.15 177.86 2giw h PHE 10 N -0.62 -1.08 -0.84 1.37 3.04 -0.76 -1.42 116.94 116.63 2giw h PHE 10 Ca -0.27 0.04 0.16 0.00 3.98 0.00 0.00 57.97 61.89 2giw h PHE 10 Cb 1.50 0.48 -0.06 0.00 2.56 0.00 0.00 35.95 40.44 2giw h PHE 10 CO 0.14 -0.36 0.55 0.28 -2.02 0.00 0.00 178.31 176.90 2giw h VAL 11 N -0.38 0.78 -0.72 1.41 2.07 -1.24 0.69 116.25 118.86 2giw h VAL 11 Ca 0.02 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.43 2giw h VAL 11 Cb 0.45 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 2giw h VAL 11 CO -0.30 0.09 0.41 -0.61 0.02 0.00 0.00 177.57 177.19 2giw h GLN 12 N 0.51 0.74 0.00 1.57 4.15 -1.26 -3.28 115.11 117.53 2giw h GLN 12 Ca 0.42 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.68 2giw h GLN 12 Cb 0.89 -0.17 -0.27 0.00 0.21 0.00 0.00 27.48 28.15 2giw h GLN 12 CO -0.17 0.49 -0.85 0.36 -1.93 0.00 0.00 178.83 176.73 2giw n LYS 13 N -4.74 0.00 0.00 1.69 -0.00 0.39 -4.83 118.16 110.66 2giw n LYS 13 Ca 0.09 -1.66 0.00 0.00 -0.00 0.00 0.00 58.31 56.74 2giw n LYS 13 Cb 0.18 -0.13 0.00 0.00 -0.00 0.00 0.00 35.03 35.07 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 2.46 -0.92 0.00 0.00 -1.60 0.14 119.26 119.34 2giw h ALA 15 Ca 0.00 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.13 2giw h ALA 15 Cb 0.42 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 2giw h ALA 15 CO 0.00 -0.73 0.44 0.37 0.00 0.00 0.00 179.25 179.33 2giw h GLN 16 N 0.23 0.43 0.00 0.00 4.15 -1.90 -1.80 115.11 116.22 2giw h GLN 16 Ca 0.44 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.84 2giw h GLN 16 Cb 1.37 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.96 2giw h GLN 16 CO -0.11 0.28 -1.88 0.00 -1.93 0.00 0.00 178.83 175.20 2giw n HIS 18 N -2.21 -1.03 -1.28 0.00 8.25 0.19 -0.98 115.22 118.16 2giw n HIS 18 Ca -0.03 -3.20 -0.26 0.00 -0.26 0.00 0.00 57.72 53.97 2giw n HIS 18 Cb 0.55 0.17 -0.09 0.00 1.12 0.00 0.00 29.99 31.74 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 2.23 3.72 -1.21 1.59 -1.04 -0.40 -4.01 114.28 115.16 2giw n THR 19 Ca 0.25 -2.37 -0.39 0.00 -2.04 0.00 0.00 64.05 59.50 2giw n THR 19 Cb 0.51 -2.15 -0.04 0.00 -1.82 0.00 0.00 70.33 66.83 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 2.54 2.42 0.11 12.58 3.14 -1.26 -3.70 118.33 134.16 2giw n VAL 20 Ca 0.58 -1.92 0.00 0.00 -2.96 0.00 0.00 64.34 60.03 2giw n VAL 20 Cb 0.57 -2.36 0.00 0.00 -1.06 0.00 0.00 33.84 30.99 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 6.10 0.00 -1.36 1.45 2.13 -1.26 -5.01 120.64 122.68 2giw n GLU 21 Ca 0.51 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 58.10 2giw n GLU 21 Cb 0.34 0.00 0.17 0.00 0.27 0.00 0.00 31.44 32.22 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 -3.07 -1.36 -0.26 5.31 2.85 -1.24 -4.94 118.16 115.44 2giw n LYS 22 Ca 0.00 -1.57 0.03 0.00 -1.05 0.00 0.00 58.31 55.72 2giw n LYS 22 Cb 0.00 -1.12 0.08 0.00 -0.65 0.00 0.00 35.03 33.34 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 -2.13 -1.26 0.00 2.58 0.00 -1.26 -4.75 105.19 98.37 2giw n GLY 23 Ca 0.13 0.77 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 -1.42 2.76 3.53 -0.02 0.00 -1.26 -5.07 105.19 103.70 2giw n GLY 24 Ca 0.10 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2giw n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2giw s LYS 25 N -2.00 0.52 0.00 1.61 2.36 -1.26 -5.01 119.74 115.97 2giw s LYS 25 Ca 0.00 1.24 0.00 0.00 -2.55 0.00 0.00 55.97 54.66 2giw s LYS 25 Cb 0.00 0.74 0.00 0.00 -1.05 0.00 0.00 37.83 37.52 2giw s LYS 25 CO 0.00 -0.24 0.00 0.72 1.55 0.00 0.00 175.35 177.38 2giw n HIS 26 N 5.36 0.00 0.00 4.03 8.25 -1.26 -1.28 115.22 130.32 2giw n HIS 26 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2giw n HIS 26 Cb 0.50 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 -1.23 0.00 -0.27 -0.41 3.00 -1.26 -2.92 118.16 115.07 2giw n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2giw n LYS 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2giw n LYS 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2giw n THR 28 N 0.00 0.00 -3.50 3.15 -1.04 -1.26 -5.07 114.28 106.56 2giw n THR 28 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 2giw n THR 28 Cb 0.00 0.46 -0.05 0.00 -1.82 0.00 0.00 70.33 68.92 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 -0.34 -0.57 0.05 3.41 0.00 -0.15 -4.85 107.32 104.87 2giw s GLY 29 Ca 0.00 1.16 -0.30 0.00 0.00 0.00 0.00 44.72 45.57 2giw s GLY 29 CO 0.00 0.76 1.68 -4.14 0.00 0.00 0.00 173.10 171.40 2giw s PRO 30 N -1.84 4.19 -0.26 2.90 0.02 -1.26 -4.29 135.00 134.46 2giw s PRO 30 Ca -0.07 2.34 -0.39 0.00 0.02 0.00 0.00 61.00 62.90 2giw s PRO 30 Cb -0.00 -3.70 -0.15 0.00 0.02 0.00 0.00 34.50 30.67 2giw s PRO 30 CO 0.04 -0.77 1.80 -1.71 -0.33 0.00 0.00 177.00 176.02 2giw n ASN 31 N 5.99 2.56 -4.56 2.53 5.15 -1.26 -4.74 115.26 120.93 2giw n ASN 31 Ca 0.16 1.02 -0.27 0.00 -0.60 0.00 0.00 54.58 54.89 2giw n ASN 31 Cb 0.41 -1.18 -0.07 0.00 -0.53 0.00 0.00 39.78 38.41 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 5.88 2.94 -0.13 1.20 4.77 -1.26 -4.78 117.00 125.61 2giw n LEU 32 Ca 0.27 -3.12 0.27 0.00 -0.03 0.00 0.00 56.01 53.40 2giw n LEU 32 Cb 0.16 -1.73 0.72 0.00 -2.33 0.00 0.00 43.42 40.24 2giw n LEU 32 CO 0.80 -1.98 1.25 -0.74 -1.33 0.00 0.00 177.39 175.39 2giw h HIS 33 N 9.84 0.00 0.00 -1.77 2.76 -2.02 -3.40 115.15 120.57 2giw h HIS 33 Ca 0.20 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2giw h HIS 33 Cb 0.94 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.90 2giw h HIS 33 CO 1.19 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 178.23 2giw n GLY 34 N -1.67 -0.67 1.46 5.26 0.00 -1.26 -5.08 105.19 103.23 2giw n GLY 34 Ca 0.16 0.09 0.19 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.46 -0.93 -2.23 0.99 4.77 -1.26 -4.09 117.00 111.80 2giw n LEU 35 Ca 0.00 2.14 0.00 0.00 -0.03 0.00 0.00 56.01 58.12 2giw n LEU 35 Cb 0.00 -4.36 0.00 0.00 -2.33 0.00 0.00 43.42 36.73 2giw n LEU 35 CO 0.00 -2.85 -0.46 0.49 -1.33 0.00 0.00 177.39 173.23 2giw n PHE 36 N -4.35 -4.61 0.00 -1.77 3.01 -0.85 -4.37 117.46 104.52 2giw n PHE 36 Ca -0.05 2.75 0.00 0.00 1.01 0.00 0.00 57.45 61.16 2giw n PHE 36 Cb 0.69 -3.73 0.00 0.00 -0.01 0.00 0.00 39.48 36.43 2giw n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2giw n GLY 37 N 1.75 2.71 3.57 1.37 0.00 -0.95 -4.94 105.19 108.71 2giw n GLY 37 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2giw n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2giw s ARG 38 N -0.04 2.46 -0.41 1.61 3.00 -1.26 -4.89 118.95 119.41 2giw s ARG 38 Ca 0.00 1.60 -0.32 0.00 0.00 0.00 0.00 55.73 57.01 2giw s ARG 38 Cb 0.00 -4.51 -0.11 0.00 0.00 0.00 0.00 34.95 30.33 2giw s ARG 38 CO 0.00 -2.87 2.28 1.63 0.00 0.00 0.00 175.30 176.34 2giw n LYS 39 N 8.93 1.10 -0.71 3.54 5.02 -1.26 -3.62 118.16 131.15 2giw n LYS 39 Ca 0.34 0.25 -0.31 0.00 -2.02 0.00 0.00 58.31 56.57 2giw n LYS 39 Cb 0.51 -2.65 0.17 0.00 -0.02 0.00 0.00 35.03 33.04 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 8.47 2.14 0.00 -0.18 2.01 0.35 -4.19 115.64 124.24 2giw s THR 40 Ca 1.09 0.05 0.00 0.00 0.31 0.00 0.00 61.69 63.13 2giw s THR 40 Cb -0.70 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 69.70 2giw s THR 40 CO 0.43 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 2giw n GLY 41 N 0.19 0.81 3.15 4.40 0.00 -1.25 -4.19 105.19 108.29 2giw n GLY 41 Ca 0.10 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2giw n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2giw s GLN 42 N -0.66 0.61 0.06 1.61 -1.52 -1.26 -4.85 119.66 113.64 2giw s GLN 42 Ca 0.00 0.17 0.06 0.00 -1.95 0.00 0.00 55.36 53.63 2giw s GLN 42 Cb 0.00 0.16 -0.04 0.00 -0.22 0.00 0.00 33.01 32.92 2giw s GLN 42 CO 0.00 -1.00 -0.10 0.00 -0.25 0.00 0.00 175.29 173.94 2giw s ALA 43 N 2.41 2.91 0.16 6.09 0.00 -1.26 -4.97 121.76 127.10 2giw s ALA 43 Ca 0.14 -1.16 -0.31 0.00 0.00 0.00 0.00 51.96 50.63 2giw s ALA 43 Cb -0.06 -0.95 -0.09 0.00 0.00 0.00 0.00 23.12 22.02 2giw s ALA 43 CO -0.18 0.62 1.47 -1.25 0.00 0.00 0.00 175.76 176.42 2giw s PRO 44 N -1.79 4.27 2.84 0.00 0.04 -1.26 -4.11 135.00 134.99 2giw s PRO 44 Ca 0.19 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2giw s PRO 44 Cb -0.11 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2giw s PRO 44 CO 0.10 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.05 2giw n GLY 45 N 3.34 1.91 3.34 0.56 0.00 -1.26 -4.68 105.19 108.40 2giw n GLY 45 Ca 0.11 -0.20 -0.46 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 4.01 -0.08 1.61 5.36 -1.26 -4.89 117.98 122.73 2giw s PHE 46 Ca 0.00 -2.35 0.01 0.00 -0.96 0.00 0.00 56.93 53.63 2giw s PHE 46 Cb 0.00 -3.85 0.11 0.00 -0.34 0.00 0.00 43.02 38.94 2giw s PHE 46 CO 0.00 -0.98 1.28 -2.37 -1.46 0.00 0.00 175.22 171.69 2giw n THR 47 N 3.35 1.51 -1.30 0.12 5.66 -1.26 -4.81 114.28 117.55 2giw n THR 47 Ca 0.20 -0.41 0.11 0.00 -3.05 0.00 0.00 64.05 60.89 2giw n THR 47 Cb 0.43 -0.99 -0.03 0.00 -1.55 0.00 0.00 70.33 68.19 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 0.36 -2.87 -0.62 1.09 4.01 -1.26 -4.26 117.16 113.60 2giw n TYR 48 Ca 0.10 1.00 -0.31 0.00 -0.16 0.00 0.00 57.90 58.53 2giw n TYR 48 Cb 0.67 -1.82 0.20 0.00 -0.31 0.00 0.00 39.34 38.07 2giw n TYR 48 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2giw n THR 49 N -2.82 0.00 -0.20 -0.72 -2.24 -1.26 -4.71 114.28 102.32 2giw n THR 49 Ca 0.01 -0.26 0.01 0.00 -2.27 0.00 0.00 64.05 61.54 2giw n THR 49 Cb 0.36 -0.85 0.12 0.00 -2.10 0.00 0.00 70.33 67.86 2giw n THR 49 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2giw h ASP 50 N -2.18 0.02 0.63 3.42 2.03 -1.97 0.21 116.42 118.58 2giw h ASP 50 Ca -0.52 0.11 -0.03 0.00 -0.73 0.00 0.00 57.03 55.86 2giw h ASP 50 Cb 1.31 0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 39.97 2giw h ASP 50 CO 0.42 0.01 -0.35 0.00 -1.03 0.00 0.00 179.24 178.29 2giw h ALA 51 N 1.49 -0.92 0.00 4.15 0.00 -1.92 0.66 119.26 122.72 2giw h ALA 51 Ca 0.33 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2giw h ALA 51 Cb 0.49 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2giw h ALA 51 CO -0.41 -1.03 -0.29 -0.97 0.00 0.00 0.00 179.25 176.55 2giw h ASN 52 N -0.91 0.00 0.04 0.00 -0.73 -1.76 -2.28 115.58 109.93 2giw h ASN 52 Ca -0.08 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 57.90 2giw h ASN 52 Cb 0.73 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.31 2giw h ASN 52 CO 0.10 0.29 -0.66 0.50 -0.37 0.00 0.00 177.43 177.29 2giw h LYS 53 N 0.00 0.59 0.00 6.67 3.64 -0.30 -3.25 116.57 123.91 2giw h LYS 53 Ca -0.00 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2giw h LYS 53 Cb 0.78 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2giw h LYS 53 CO 0.04 1.05 0.00 -1.71 -2.27 0.00 0.00 179.45 176.56 2giw n ASN 54 N -3.92 0.00 -0.14 4.20 5.15 0.23 -3.87 115.26 116.91 2giw n ASN 54 Ca -0.05 -0.68 -0.12 0.00 -0.60 0.00 0.00 54.58 53.14 2giw n ASN 54 Cb 0.67 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.91 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 0.87 -2.96 1.20 1.79 -1.60 -3.47 116.57 112.41 2giw h LYS 55 Ca 0.00 -0.38 -0.40 0.00 -2.18 0.00 0.00 60.65 57.69 2giw h LYS 55 Cb 0.00 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 2giw h LYS 55 CO 0.00 1.02 -0.51 0.41 -1.08 0.00 0.00 179.45 179.29 2giw n GLY 56 N -0.08 -0.35 0.00 3.86 0.00 -1.25 -5.00 105.19 102.37 2giw n GLY 56 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.86 0.00 -2.67 -0.61 -5.35 -1.26 -4.86 119.36 100.75 2giw n ILE 57 Ca -0.24 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.26 2giw n ILE 57 Cb 0.68 -1.33 0.04 0.00 -1.74 0.00 0.00 39.64 37.29 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 0.67 -2.27 7.28 -1.04 -1.26 -0.50 114.28 117.17 2giw n THR 58 Ca 0.00 -1.99 0.00 0.00 -2.04 0.00 0.00 64.05 60.02 2giw n THR 58 Cb 0.00 1.15 0.00 0.00 -1.82 0.00 0.00 70.33 69.66 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 -0.18 0.00 -2.73 -1.42 5.03 -1.24 -2.23 117.44 114.67 2giw n TRP 59 Ca 0.04 0.00 -0.21 0.00 3.03 0.00 0.00 57.50 60.36 2giw n TRP 59 Cb 0.94 0.00 0.03 0.00 -1.03 0.00 0.00 31.31 31.25 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 -2.27 2.65 0.23 -0.99 -2.85 -1.26 -2.01 119.74 113.24 2giw s LYS 60 Ca 0.00 -0.76 -0.11 0.00 -1.00 0.00 0.00 55.97 54.10 2giw s LYS 60 Cb 0.00 -2.52 0.32 0.00 -2.06 0.00 0.00 37.83 33.57 2giw s LYS 60 CO 0.00 -0.61 1.62 1.05 0.10 0.00 0.00 175.35 177.52 2giw h GLU 61 N 0.17 0.04 -0.45 1.78 4.11 -1.94 0.15 114.58 118.43 2giw h GLU 61 Ca -0.43 -0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.03 2giw h GLU 61 Cb 1.29 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 2giw h GLU 61 CO 0.53 0.02 0.24 0.93 0.07 0.00 0.00 179.01 180.80 2giw h GLU 62 N 0.04 0.47 0.01 1.06 5.08 -1.99 0.57 114.58 119.81 2giw h GLU 62 Ca 0.35 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 58.45 2giw h GLU 62 Cb 0.57 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.74 2giw h GLU 62 CO -0.68 0.31 -0.93 1.79 -1.00 0.00 0.00 179.01 178.50 2giw h THR 63 N 0.48 1.32 -0.69 1.13 1.35 -1.67 -2.52 112.91 112.31 2giw h THR 63 Ca 0.19 -2.22 0.06 0.00 -0.55 0.00 0.00 66.41 63.89 2giw h THR 63 Cb 0.08 2.47 -0.06 0.00 -1.73 0.00 0.00 68.15 68.91 2giw h THR 63 CO -0.12 0.67 0.40 -0.07 -0.25 0.00 0.00 175.52 176.15 2giw h LEU 64 N 0.24 0.60 0.16 3.87 4.07 -0.75 -1.00 115.31 122.49 2giw h LEU 64 Ca -0.12 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.87 2giw h LEU 64 Cb 1.60 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 43.24 2giw h LEU 64 CO 0.18 0.39 -0.15 -0.03 -1.08 0.00 0.00 178.44 177.75 2giw h MET 65 N 0.73 -0.32 -0.21 1.13 4.05 -0.74 0.31 114.93 119.89 2giw h MET 65 Ca 0.31 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.75 2giw h MET 65 Cb 0.17 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 2giw h MET 65 CO -0.18 -0.21 0.13 1.49 0.23 0.00 0.00 176.91 178.37 2giw h GLU 66 N -0.33 0.25 0.65 0.39 4.81 -1.28 -0.64 114.58 118.44 2giw h GLU 66 Ca -0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2giw h GLU 66 Cb 0.31 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2giw h GLU 66 CO -0.03 0.17 -0.50 -0.92 -0.73 0.00 0.00 179.01 177.00 2giw h TYR 67 N 0.26 -1.36 -0.51 0.92 3.20 -0.91 -0.63 116.97 117.94 2giw h TYR 67 Ca 0.08 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.99 2giw h TYR 67 Cb -0.02 0.51 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 2giw h TYR 67 CO -0.07 -0.71 0.34 -0.07 -1.64 0.00 0.00 178.16 176.01 2giw h LEU 68 N -1.11 0.45 -0.45 2.82 -0.00 -0.92 0.14 115.31 116.24 2giw h LEU 68 Ca -0.09 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2giw h LEU 68 Cb 0.92 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 2giw h LEU 68 CO 0.02 0.31 0.28 -0.08 -0.00 0.00 0.00 178.44 178.97 2giw h GLU 69 N 0.52 0.60 -0.44 1.13 4.81 -0.66 -3.41 114.58 117.13 2giw h GLU 69 Ca 0.21 -0.05 -0.29 0.00 -0.13 0.00 0.00 59.36 59.10 2giw h GLU 69 Cb 0.18 -0.13 -0.20 0.00 0.63 0.00 0.00 28.75 29.24 2giw h GLU 69 CO -0.06 0.43 -0.62 -1.71 -0.73 0.00 0.00 179.01 176.32 2giw n ASN 70 N -4.74 -2.14 -0.07 1.04 2.85 -0.28 -4.56 115.26 107.35 2giw n ASN 70 Ca 0.01 -3.23 -0.12 0.00 -0.11 0.00 0.00 54.58 51.14 2giw n ASN 70 Cb 0.05 1.30 -0.05 0.00 1.24 0.00 0.00 39.78 42.32 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 3.85 0.37 0.00 1.20 0.13 -1.01 0.44 132.00 136.98 2giw h PRO 71 Ca -0.09 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2giw h PRO 71 Cb 1.01 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2giw h PRO 71 CO 0.34 0.61 0.13 -0.22 -0.23 0.00 0.00 178.00 178.62 2giw h LYS 72 N 0.10 0.00 0.01 0.86 3.64 -1.79 -0.96 116.57 118.43 2giw h LYS 72 Ca 0.05 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.04 2giw h LYS 72 Cb 0.46 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.22 2giw h LYS 72 CO 0.02 0.00 -2.22 1.17 -2.27 0.00 0.00 179.45 176.14 2giw n LYS 73 N -2.55 0.61 -0.28 1.90 0.00 -0.05 -4.08 118.16 113.71 2giw n LYS 73 Ca -0.02 0.31 0.07 0.00 0.00 0.00 0.00 58.31 58.67 2giw n LYS 73 Cb 0.17 -1.57 0.22 0.00 0.00 0.00 0.00 35.03 33.85 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 -0.75 0.63 -3.29 5.64 3.20 -0.63 -3.37 116.97 118.41 2giw h TYR 74 Ca -0.59 0.04 -0.63 0.00 3.14 0.00 0.00 58.73 60.69 2giw h TYR 74 Cb 1.63 -0.16 -0.36 0.00 1.54 0.00 0.00 36.73 39.38 2giw h TYR 74 CO -0.02 0.10 -0.83 0.42 -1.64 0.00 0.00 178.16 176.20 2giw s ILE 75 N -5.98 1.73 -1.22 1.81 1.01 -0.40 -5.05 121.20 113.10 2giw s ILE 75 Ca -0.12 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.44 2giw s ILE 75 Cb 0.22 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 2giw s ILE 75 CO 0.77 0.32 2.13 -0.81 0.00 0.00 0.00 174.94 177.34 2giw n PRO 76 N 4.68 2.39 0.00 2.79 -0.04 -1.26 -4.31 135.00 139.25 2giw n PRO 76 Ca -0.17 -2.34 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 2giw n PRO 76 Cb 0.48 -3.16 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 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 4.25 2.12 3.31 0.55 0.00 -1.26 -5.11 105.19 109.05 2giw n GLY 77 Ca 0.51 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 0.07 0.16 2.61 -1.32 -1.26 -4.46 115.64 111.43 2giw s THR 78 Ca 0.00 -0.54 0.22 0.00 -1.21 0.00 0.00 61.69 60.16 2giw s THR 78 Cb 0.00 -1.05 0.20 0.00 -1.51 0.00 0.00 72.50 70.14 2giw s THR 78 CO 0.00 -0.30 1.80 0.50 -2.21 0.00 0.00 174.62 174.41 2giw h LYS 79 N 2.75 0.00 -6.93 7.08 1.63 -1.98 -3.45 116.57 115.67 2giw h LYS 79 Ca -0.32 0.00 -0.54 0.00 -0.85 0.00 0.00 60.65 58.94 2giw h LYS 79 Cb 1.22 0.00 0.11 0.00 -0.60 0.00 0.00 32.23 32.96 2giw h LYS 79 CO 0.45 0.27 0.81 1.41 -3.45 0.00 0.00 179.45 178.94 2giw s MET 80 N -3.66 4.09 -0.50 1.90 1.75 -1.26 -4.98 119.30 116.65 2giw s MET 80 Ca 0.00 2.60 0.04 0.00 -1.25 0.00 0.00 55.69 57.08 2giw s MET 80 Cb 0.11 -2.97 0.13 0.00 2.84 0.00 0.00 34.83 34.93 2giw s MET 80 CO 0.65 -0.57 0.24 0.42 -0.65 0.00 0.00 175.02 175.10 2giw s ILE 81 N -0.95 2.51 0.20 10.11 -1.09 -1.26 -4.91 121.20 125.81 2giw s ILE 81 Ca 0.55 -3.19 -0.19 0.00 -2.23 0.00 0.00 60.65 55.58 2giw s ILE 81 Cb -0.47 -2.76 0.04 0.00 -1.58 0.00 0.00 42.46 37.69 2giw s ILE 81 CO 0.62 -0.78 0.57 0.12 -1.23 0.00 0.00 174.94 174.24 2giw s PHE 82 N -0.14 -0.24 0.00 3.97 5.36 -1.26 -5.14 117.98 120.53 2giw s PHE 82 Ca 0.16 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.05 2giw s PHE 82 Cb -0.25 0.48 0.00 0.00 -0.34 0.00 0.00 43.02 42.91 2giw s PHE 82 CO -0.01 -0.95 0.00 0.00 -1.46 0.00 0.00 175.22 172.81 2giw n ALA 83 N -0.37 0.60 -1.83 11.12 0.00 -1.26 -4.51 120.51 124.26 2giw n ALA 83 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.02 2giw n ALA 83 Cb 0.63 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.60 1.64 0.00 0.00 0.00 -1.26 -4.29 107.32 102.82 2giw s GLY 84 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.53 2giw s GLY 84 CO 0.00 0.13 0.00 4.51 0.00 0.00 0.00 173.10 177.74 2giw n ILE 85 N -2.95 0.00 0.00 0.90 3.06 -1.26 -5.05 119.36 114.06 2giw n ILE 85 Ca 0.07 0.32 0.00 0.00 -2.50 0.00 0.00 62.75 60.63 2giw n ILE 85 Cb 0.56 -1.31 0.00 0.00 0.54 0.00 0.00 39.64 39.43 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 -2.43 0.00 -2.70 9.51 4.81 -1.26 -4.99 118.16 121.09 2giw n LYS 86 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 2giw n LYS 86 Cb 0.00 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.12 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 -0.80 0.43 0.00 1.64 4.81 -1.26 -5.02 118.16 117.96 2giw n LYS 87 Ca 0.00 -1.17 0.00 0.00 -0.87 0.00 0.00 58.31 56.27 2giw n LYS 87 Cb 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 35.03 34.26 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 1.54 0.00 -0.40 1.64 4.81 -1.26 -4.61 118.16 119.89 2giw n LYS 88 Ca 0.05 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.43 2giw n LYS 88 Cb 0.67 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.70 2giw n LYS 88 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 2giw n THR 89 N 0.00 -0.59 0.10 3.15 5.66 -1.26 0.31 114.28 121.65 2giw n THR 89 Ca 0.00 2.35 0.03 0.00 -3.05 0.00 0.00 64.05 63.39 2giw n THR 89 Cb 0.00 -3.02 0.43 0.00 -1.55 0.00 0.00 70.33 66.18 2giw n THR 89 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2giw h GLU 90 N 0.00 0.31 -0.14 1.09 5.08 -1.95 0.18 114.58 119.16 2giw h GLU 90 Ca 0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2giw h GLU 90 Cb 0.51 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2giw h GLU 90 CO -0.96 0.34 0.00 -2.13 -1.00 0.00 0.00 179.01 175.25 2giw n ARG 91 N -4.37 0.79 0.03 2.33 0.63 0.15 -1.06 116.66 115.16 2giw n ARG 91 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 2giw n ARG 91 Cb 0.19 -1.07 -0.00 0.00 0.45 0.00 0.00 32.46 32.02 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 -0.39 0.02 -0.14 -0.14 4.07 -0.13 -4.83 120.64 119.11 2giw n GLU 92 Ca 0.00 0.01 -0.13 0.00 -0.06 0.00 0.00 57.16 56.98 2giw n GLU 92 Cb 0.04 -0.54 -0.09 0.00 -0.06 0.00 0.00 31.44 30.79 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 -0.05 -1.78 -0.22 4.31 1.82 -0.52 0.80 116.42 120.79 2giw h ASP 93 Ca -0.01 0.24 0.05 0.00 -0.39 0.00 0.00 57.03 56.92 2giw h ASP 93 Cb 0.34 0.74 -0.05 0.00 0.68 0.00 0.00 39.33 41.04 2giw h ASP 93 CO -0.01 -0.40 -0.12 -0.07 -1.61 0.00 0.00 179.24 177.03 2giw h LEU 94 N -0.38 -0.40 0.00 2.28 -0.00 -1.33 0.85 115.31 116.32 2giw h LEU 94 Ca 0.09 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 2giw h LEU 94 Cb 0.60 0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.47 2giw h LEU 94 CO -0.60 -0.16 0.00 -0.38 -0.00 0.00 0.00 178.44 177.30 2giw n ILE 95 N -5.28 0.84 -0.08 1.22 -0.00 -0.70 -1.41 119.36 113.95 2giw n ILE 95 Ca -0.01 0.21 -0.18 0.00 -0.00 0.00 0.00 62.75 62.76 2giw n ILE 95 Cb 0.20 -0.96 -0.13 0.00 -0.00 0.00 0.00 39.64 38.75 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 -1.42 1.27 0.22 -1.39 0.00 0.19 -3.46 120.51 115.92 2giw n ALA 96 Ca 0.05 -0.94 -0.16 0.00 0.00 0.00 0.00 53.44 52.39 2giw n ALA 96 Cb 0.15 -0.33 -0.08 0.00 0.00 0.00 0.00 19.45 19.20 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 0.02 -0.99 0.00 0.00 3.20 -0.49 -2.66 116.97 116.05 2giw h TYR 97 Ca -0.52 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.36 2giw h TYR 97 Cb 1.97 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 40.63 2giw h TYR 97 CO 0.04 -0.51 -0.03 -0.07 -1.64 0.00 0.00 178.16 175.96 2giw h LEU 98 N -0.74 0.00 -1.42 2.82 3.38 -1.40 0.23 115.31 118.18 2giw h LEU 98 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2giw h LEU 98 Cb 0.67 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2giw h LEU 98 CO -0.07 0.03 0.02 0.50 0.09 0.00 0.00 178.44 179.00 2giw h LYS 99 N 0.00 0.40 0.00 1.13 3.64 -1.50 -2.60 116.57 117.64 2giw h LYS 99 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2giw h LYS 99 Cb 0.12 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2giw h LYS 99 CO 0.00 0.42 -1.55 0.36 -2.27 0.00 0.00 179.45 176.41 2giw n LYS 100 N -4.34 0.41 0.00 1.90 2.85 0.47 -3.92 118.16 115.54 2giw n LYS 100 Ca 0.01 -0.11 0.13 0.00 -1.05 0.00 0.00 58.31 57.29 2giw n LYS 100 Cb 0.20 -1.53 0.57 0.00 -0.65 0.00 0.00 35.03 33.62 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 2.37 2.13 0.00 0.58 0.00 -0.32 0.24 119.26 124.27 2giw h ALA 101 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2giw h ALA 101 Cb 0.81 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2giw h ALA 101 CO 0.00 -0.24 -0.04 1.79 0.00 0.00 0.00 179.25 180.76 2giw h THR 102 N 0.23 0.80 0.00 0.00 1.35 -1.62 -3.32 112.91 110.35 2giw h THR 102 Ca 0.22 -0.15 -0.21 0.00 -0.55 0.00 0.00 66.41 65.72 2giw h THR 102 Cb 0.55 1.09 -0.04 0.00 -1.73 0.00 0.00 68.15 68.02 2giw h THR 102 CO -0.04 0.04 -1.78 -3.20 -0.25 0.00 0.00 175.52 170.29 2giw n ASN 103 N -4.16 2.33 0.00 5.36 5.15 0.42 -5.08 115.26 119.28 2giw n ASN 103 Ca -0.03 -0.01 0.09 0.00 -0.60 0.00 0.00 54.58 54.03 2giw n ASN 103 Cb 0.12 0.62 0.54 0.00 -0.53 0.00 0.00 39.78 40.53 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82