#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 0.00 0.00 1.61 8.00 -1.26 -4.77 116.55 120.13 2giw n ASP 2 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2giw n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2giw n ASP 2 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2giw n VAL 3 N 0.00 0.00 0.09 2.53 3.14 -1.26 -4.58 118.33 118.24 2giw n VAL 3 Ca 0.00 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 2giw n VAL 3 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 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 -0.16 -0.55 1.45 4.39 -1.97 0.30 114.58 118.05 2giw h GLU 4 Ca 0.00 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.77 2giw h GLU 4 Cb 0.00 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 2giw h GLU 4 CO 0.00 -0.02 0.25 0.87 -1.16 0.00 0.00 179.01 178.95 2giw h LYS 5 N -0.25 0.46 0.01 2.33 1.57 -1.95 -1.94 116.57 116.79 2giw h LYS 5 Ca -0.02 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2giw h LYS 5 Cb 0.20 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2giw h LYS 5 CO 0.03 0.30 -0.24 0.78 -0.57 0.00 0.00 179.45 179.75 2giw h GLY 6 N 0.47 -0.37 1.57 3.86 0.00 -1.56 0.48 103.07 107.53 2giw h GLY 6 Ca 0.25 0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.83 2giw h GLY 6 CO -0.21 -0.21 0.02 0.07 0.00 0.00 0.00 176.54 176.21 2giw h LYS 7 N -0.39 0.53 0.06 4.80 2.10 -0.74 0.13 116.57 123.06 2giw h LYS 7 Ca 0.06 -0.11 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2giw h LYS 7 Cb 0.46 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2giw h LYS 7 CO -0.21 0.55 -0.03 0.87 -2.00 0.00 0.00 179.45 178.62 2giw h LYS 8 N 0.52 -0.07 -0.46 0.07 1.79 -0.96 -2.35 116.57 115.10 2giw h LYS 8 Ca 0.11 0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.50 2giw h LYS 8 Cb 0.30 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2giw h LYS 8 CO 0.01 0.45 -0.05 0.82 -1.08 0.00 0.00 179.45 179.60 2giw h ILE 9 N -0.65 1.27 -0.05 1.86 2.04 -0.74 0.55 117.51 121.77 2giw h ILE 9 Ca -0.01 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.72 2giw h ILE 9 Cb 0.56 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2giw h ILE 9 CO 0.01 0.39 -0.23 0.15 0.00 0.00 0.00 178.15 178.48 2giw h PHE 10 N 0.69 -0.67 -0.83 1.37 3.57 -0.83 -1.85 116.94 118.39 2giw h PHE 10 Ca 0.12 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.79 2giw h PHE 10 Cb 0.58 0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 2giw h PHE 10 CO 0.04 -0.23 0.54 0.28 -2.23 0.00 0.00 178.31 176.72 2giw h VAL 11 N -0.24 0.84 -0.86 1.41 2.07 -1.11 0.52 116.25 118.88 2giw h VAL 11 Ca 0.01 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.43 2giw h VAL 11 Cb 0.28 0.18 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 2giw h VAL 11 CO -0.18 0.11 0.50 -0.61 0.02 0.00 0.00 177.57 177.41 2giw h GLN 12 N 0.61 0.79 0.00 1.57 4.15 -0.24 -3.30 115.11 118.69 2giw h GLN 12 Ca 0.41 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.78 2giw h GLN 12 Cb 0.72 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2giw h GLN 12 CO -0.17 0.52 0.00 0.36 -1.93 0.00 0.00 178.83 177.61 2giw n LYS 13 N -4.73 0.68 0.00 1.69 0.00 0.03 -4.86 118.16 110.97 2giw n LYS 13 Ca 0.15 -0.71 0.00 0.00 -0.00 0.00 0.00 58.31 57.75 2giw n LYS 13 Cb 0.31 -0.63 0.00 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 0.00 2.11 -1.10 0.00 0.00 -1.63 0.10 119.26 118.75 2giw h ALA 15 Ca 0.00 0.00 0.37 0.00 0.00 0.00 0.00 54.91 55.29 2giw h ALA 15 Cb 0.99 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.58 2giw h ALA 15 CO 0.00 -0.32 0.65 0.37 0.00 0.00 0.00 179.25 179.95 2giw h GLN 16 N 0.42 0.18 0.00 0.00 -0.00 -1.88 -0.96 115.11 112.88 2giw h GLN 16 Ca 0.38 -0.01 -0.32 0.00 -0.00 0.00 0.00 58.65 58.70 2giw h GLN 16 Cb 0.86 -0.04 -0.06 0.00 0.00 0.00 0.00 27.48 28.24 2giw h GLN 16 CO -0.12 0.12 -2.26 0.00 0.00 0.00 0.00 178.83 176.57 2giw n HIS 18 N -2.66 1.58 -2.26 0.00 8.25 0.08 -1.63 115.22 118.57 2giw n HIS 18 Ca -0.29 -3.85 -0.38 0.00 -0.26 0.00 0.00 57.72 52.94 2giw n HIS 18 Cb 1.07 -0.41 -0.02 0.00 1.12 0.00 0.00 29.99 31.75 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 1.34 3.13 -1.64 1.59 -1.04 -0.86 -4.10 114.28 112.71 2giw n THR 19 Ca 0.25 -3.19 -0.64 0.00 -2.04 0.00 0.00 64.05 58.43 2giw n THR 19 Cb 0.46 -2.31 -0.10 0.00 -1.82 0.00 0.00 70.33 66.56 2giw n THR 19 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2giw n VAL 20 N 6.73 0.06 0.00 12.58 0.24 -1.26 -4.36 118.33 132.32 2giw n VAL 20 Ca 0.48 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.76 2giw n VAL 20 Cb 0.45 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 2giw n VAL 20 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2giw n GLU 21 N 5.08 0.00 -2.36 7.34 4.07 -1.26 -5.04 120.64 128.47 2giw n GLU 21 Ca 0.35 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.39 2giw n GLU 21 Cb -0.01 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.40 2giw n GLU 21 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2giw n LYS 22 N -1.92 -1.68 0.00 5.31 0.00 -1.26 -4.83 118.16 113.78 2giw n LYS 22 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 58.31 58.65 2giw n LYS 22 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 35.03 31.54 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 -1.23 0.03 0.00 3.14 0.00 -1.26 -5.12 105.19 100.75 2giw n GLY 23 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.42 -1.71 3.31 -0.02 0.00 -1.26 -5.12 105.19 99.96 2giw n GLY 24 Ca 0.00 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 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 1.36 0.00 1.61 3.01 -1.26 -5.11 119.74 119.36 2giw s LYS 25 Ca 0.00 -1.73 -0.03 0.00 -1.01 0.00 0.00 55.97 53.21 2giw s LYS 25 Cb 0.00 -0.28 -0.01 0.00 -1.01 0.00 0.00 37.83 36.53 2giw s LYS 25 CO 0.00 -0.26 0.88 0.45 0.51 0.00 0.00 175.35 176.93 2giw h HIS 26 N 2.43 -0.09 -5.03 3.18 3.86 -1.91 -3.44 115.15 114.15 2giw h HIS 26 Ca -0.38 -0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.57 2giw h HIS 26 Cb 1.24 0.03 0.15 0.00 1.06 0.00 0.00 27.41 29.88 2giw h HIS 26 CO 0.47 -0.05 -0.65 1.17 0.86 0.00 0.00 177.93 179.73 2giw n LYS 27 N -2.29 -4.83 -0.33 2.45 3.00 -1.26 -3.56 118.16 111.34 2giw n LYS 27 Ca -0.01 0.71 0.00 0.00 -0.00 0.00 0.00 58.31 59.01 2giw n LYS 27 Cb 0.04 -5.26 0.00 0.00 0.00 0.00 0.00 35.03 29.81 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 -3.47 0.00 -3.64 3.15 -1.04 -1.26 -4.66 114.28 103.36 2giw n THR 28 Ca -0.21 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.72 2giw n THR 28 Cb 0.63 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.07 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 -1.95 -0.52 0.01 3.41 0.00 -0.65 -4.87 107.32 102.75 2giw s GLY 29 Ca 0.00 2.43 -0.30 0.00 0.00 0.00 0.00 44.72 46.85 2giw s GLY 29 CO 0.00 2.26 1.75 -4.14 0.00 0.00 0.00 173.10 172.97 2giw s PRO 30 N 1.27 4.17 0.10 2.90 0.02 -1.26 -4.37 135.00 137.83 2giw s PRO 30 Ca -0.07 2.37 -0.35 0.00 0.02 0.00 0.00 61.00 62.97 2giw s PRO 30 Cb -0.05 -3.91 -0.15 0.00 0.02 0.00 0.00 34.50 30.41 2giw s PRO 30 CO -0.14 -0.85 1.49 0.09 -0.33 0.00 0.00 177.00 177.26 2giw n ASN 31 N 6.76 2.44 -3.57 2.53 3.02 -1.26 -4.77 115.26 120.41 2giw n ASN 31 Ca 0.18 1.09 -0.41 0.00 -0.03 0.00 0.00 54.58 55.41 2giw n ASN 31 Cb 0.41 -1.31 -0.01 0.00 -0.61 0.00 0.00 39.78 38.26 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2giw n LEU 32 N 3.20 7.62 0.33 3.41 4.77 -1.26 -4.74 117.00 130.33 2giw n LEU 32 Ca 0.18 -4.27 -0.18 0.00 -0.03 0.00 0.00 56.01 51.71 2giw n LEU 32 Cb 0.24 -1.61 -0.09 0.00 -2.33 0.00 0.00 43.42 39.63 2giw n LEU 32 CO 0.64 1.52 0.53 -0.74 -1.33 0.00 0.00 177.39 178.00 2giw h HIS 33 N 5.57 -1.30 -3.08 -1.77 -0.00 -1.93 -3.42 115.15 109.22 2giw h HIS 33 Ca 0.68 0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.77 2giw h HIS 33 Cb 0.49 0.49 -0.36 0.00 -0.00 0.00 0.00 27.41 28.04 2giw h HIS 33 CO 1.62 -0.66 -0.63 0.20 -0.00 0.00 0.00 177.93 178.46 2giw s GLY 34 N -2.02 0.04 0.00 5.26 0.00 -1.26 -4.46 107.32 104.88 2giw s GLY 34 Ca -0.17 0.58 -0.00 0.00 0.00 0.00 0.00 44.72 45.12 2giw s GLY 34 CO 0.56 1.68 -0.01 1.04 0.00 0.00 0.00 173.10 176.38 2giw n LEU 35 N 5.32 0.10 -4.57 0.66 7.99 -1.26 -4.69 117.00 120.54 2giw n LEU 35 Ca -0.05 0.01 -0.39 0.00 -0.01 0.00 0.00 56.01 55.57 2giw n LEU 35 Cb 0.50 -0.14 -0.03 0.00 -0.11 0.00 0.00 43.42 43.64 2giw n LEU 35 CO 0.04 -0.51 1.83 -0.36 -1.51 0.00 0.00 177.39 176.89 2giw s PHE 36 N -1.09 1.31 0.00 -1.77 0.40 -1.08 -0.78 117.98 114.97 2giw s PHE 36 Ca -0.01 1.04 0.00 0.00 -0.60 0.00 0.00 56.93 57.36 2giw s PHE 36 Cb 0.00 -3.84 0.00 0.00 0.51 0.00 0.00 43.02 39.69 2giw s PHE 36 CO 0.01 -2.93 0.00 0.41 0.70 0.00 0.00 175.22 173.40 2giw n GLY 37 N 5.81 0.73 2.39 4.36 0.00 -0.84 -5.02 105.19 112.61 2giw n GLY 37 Ca 0.30 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.13 2giw n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2giw n ARG 38 N -2.51 -1.84 -3.75 1.61 0.63 0.04 -5.04 116.66 105.80 2giw n ARG 38 Ca 0.00 -1.22 -0.38 0.00 -0.92 0.00 0.00 57.85 55.33 2giw n ARG 38 Cb 0.00 -1.01 -0.12 0.00 0.45 0.00 0.00 32.46 31.78 2giw n ARG 38 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2giw s LYS 39 N -4.73 2.54 1.10 -0.14 -0.14 -1.26 -4.34 119.74 112.77 2giw s LYS 39 Ca 0.48 -1.29 -0.15 0.00 -1.36 0.00 0.00 55.97 53.65 2giw s LYS 39 Cb -0.03 -3.49 0.24 0.00 -1.68 0.00 0.00 37.83 32.87 2giw s LYS 39 CO 0.35 -0.74 1.10 0.99 -0.76 0.00 0.00 175.35 176.29 2giw s THR 40 N 1.37 1.83 -1.00 2.17 2.01 -0.14 -4.25 115.64 117.61 2giw s THR 40 Ca -0.01 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 2giw s THR 40 Cb -0.20 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 69.83 2giw s THR 40 CO 0.02 0.00 0.51 0.61 -0.69 0.00 0.00 174.62 175.06 2giw n GLY 41 N -1.00 -0.10 0.00 4.40 0.00 -1.26 -4.23 105.19 103.00 2giw n GLY 41 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2giw n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2giw n GLN 42 N -3.07 0.00 -4.70 1.61 6.02 -1.26 -4.80 117.38 111.18 2giw n GLN 42 Ca -0.05 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.67 2giw n GLN 42 Cb 0.57 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.69 2giw n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2giw s ALA 43 N 0.00 1.88 -1.00 -1.58 0.00 -1.26 -4.88 121.76 114.91 2giw s ALA 43 Ca 0.00 -1.11 -0.20 0.00 0.00 0.00 0.00 51.96 50.65 2giw s ALA 43 Cb 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 2giw s ALA 43 CO 0.00 0.43 2.00 -0.35 0.00 0.00 0.00 175.76 177.84 2giw n PRO 44 N 1.81 1.93 0.00 0.00 -0.04 -1.26 -4.30 135.00 133.14 2giw n PRO 44 Ca -0.17 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 2giw n PRO 44 Cb 0.53 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 2giw n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2giw n GLY 45 N 4.53 0.81 3.32 0.55 0.00 -1.26 -4.99 105.19 108.14 2giw n GLY 45 Ca 0.50 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2giw n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2giw n PHE 46 N 0.00 3.95 -0.92 1.61 7.35 -1.26 -4.78 117.46 123.41 2giw n PHE 46 Ca 0.00 -2.65 -0.10 0.00 -0.76 0.00 0.00 57.45 53.94 2giw n PHE 46 Cb 0.00 -2.56 -0.15 0.00 0.35 0.00 0.00 39.48 37.13 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 6.18 2.81 -4.91 -2.13 5.66 -1.26 -4.82 114.28 115.82 2giw n THR 47 Ca 0.49 -1.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.15 2giw n THR 47 Cb 0.44 -1.93 0.00 0.00 -1.55 0.00 0.00 70.33 67.29 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 2.40 -0.90 -1.47 1.09 4.01 -1.26 -4.21 117.16 116.81 2giw n TYR 48 Ca 0.37 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.80 2giw n TYR 48 Cb 0.85 0.18 0.06 0.00 -0.31 0.00 0.00 39.34 40.12 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 3.79 0.37 -0.72 -4.23 -1.26 -4.88 115.64 108.70 2giw s THR 49 Ca 0.00 0.58 0.13 0.00 -1.18 0.00 0.00 61.69 61.22 2giw s THR 49 Cb 0.00 -3.24 0.35 0.00 1.34 0.00 0.00 72.50 70.95 2giw s THR 49 CO 0.00 -0.76 1.80 -2.24 -0.54 0.00 0.00 174.62 172.88 2giw h ASP 50 N -0.86 0.57 -0.06 3.99 2.03 -1.93 0.99 116.42 121.14 2giw h ASP 50 Ca -0.44 0.08 -0.07 0.00 -0.73 0.00 0.00 57.03 55.87 2giw h ASP 50 Cb 1.22 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 2giw h ASP 50 CO 0.55 0.18 -0.14 0.00 -1.03 0.00 0.00 179.24 178.80 2giw h ALA 51 N 1.63 1.32 0.15 4.15 0.00 -1.93 0.37 119.26 124.95 2giw h ALA 51 Ca 0.56 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.98 2giw h ALA 51 Cb 1.19 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.87 2giw h ALA 51 CO -0.30 0.46 -1.09 -0.97 0.00 0.00 0.00 179.25 177.35 2giw h ASN 52 N 0.37 0.48 -0.92 0.00 -0.73 -1.81 -3.36 115.58 109.61 2giw h ASN 52 Ca 0.07 -0.92 0.10 0.00 1.87 0.00 0.00 56.30 57.42 2giw h ASN 52 Cb 0.47 -0.16 -0.07 0.00 0.27 0.00 0.00 38.32 38.84 2giw h ASN 52 CO 0.03 1.50 0.59 0.07 -0.37 0.00 0.00 177.43 179.25 2giw h LYS 53 N -0.29 0.89 0.00 6.67 2.10 -0.38 0.59 116.57 126.15 2giw h LYS 53 Ca -0.21 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2giw h LYS 53 Cb 1.74 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.87 2giw h LYS 53 CO 0.13 0.59 0.00 -0.97 -2.00 0.00 0.00 179.45 177.20 2giw h ASN 54 N 0.92 0.00 0.72 7.07 -1.24 -0.42 -3.33 115.58 119.30 2giw h ASN 54 Ca 0.43 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 57.19 2giw h ASN 54 Cb 0.42 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.43 2giw h ASN 54 CO -0.19 0.00 -1.39 0.50 -1.29 0.00 0.00 177.43 175.06 2giw h LYS 55 N 0.00 0.00 -3.27 6.67 3.64 -1.02 -3.48 116.57 119.11 2giw h LYS 55 Ca 0.00 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.97 2giw h LYS 55 Cb 0.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2giw h LYS 55 CO 0.00 0.68 -0.54 0.41 -2.27 0.00 0.00 179.45 177.73 2giw n GLY 56 N 1.46 -0.50 0.00 5.01 0.00 -1.25 -4.95 105.19 104.96 2giw n GLY 56 Ca -0.10 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.05 0.00 -2.45 -0.61 -5.35 -1.26 -4.77 119.36 100.87 2giw n ILE 57 Ca -0.22 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.24 2giw n ILE 57 Cb 0.68 -1.34 0.02 0.00 -1.74 0.00 0.00 39.64 37.26 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 0.25 -1.87 7.28 -1.04 -1.26 -0.97 114.28 116.66 2giw n THR 58 Ca 0.00 -1.07 0.00 0.00 -2.04 0.00 0.00 64.05 60.94 2giw n THR 58 Cb 0.00 0.91 0.00 0.00 -1.82 0.00 0.00 70.33 69.42 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 -0.25 0.00 -2.70 -1.42 5.03 -1.25 -1.98 117.44 114.87 2giw n TRP 59 Ca -0.09 0.00 -0.22 0.00 3.03 0.00 0.00 57.50 60.22 2giw n TRP 59 Cb 0.90 0.00 0.09 0.00 -1.03 0.00 0.00 31.31 31.26 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 -1.53 1.95 0.00 -0.99 0.00 -1.26 -2.63 119.74 115.28 2giw s LYS 60 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 55.97 54.78 2giw s LYS 60 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 37.83 35.40 2giw s LYS 60 CO 0.00 -1.20 1.00 -0.85 0.00 0.00 0.00 175.35 174.31 2giw n GLU 61 N -2.62 0.53 0.13 1.78 0.28 -1.26 -1.60 120.64 117.88 2giw n GLU 61 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 2giw n GLU 61 Cb 0.61 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 32.24 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 1.64 0.00 -0.14 3.44 1.02 -1.26 -4.73 120.64 120.60 2giw n GLU 62 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2giw n GLU 62 Cb 0.26 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.70 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 1.27 -0.44 2.62 1.35 -1.88 -0.48 112.91 115.35 2giw h THR 63 Ca 0.00 -1.38 0.01 0.00 -0.55 0.00 0.00 66.41 64.49 2giw h THR 63 Cb 0.00 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.54 2giw h THR 63 CO 0.00 0.47 0.28 -0.07 -0.25 0.00 0.00 175.52 175.95 2giw h LEU 64 N 0.82 0.47 0.53 3.87 4.07 -1.62 -0.65 115.31 122.80 2giw h LEU 64 Ca 0.11 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 2giw h LEU 64 Cb 0.79 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.42 2giw h LEU 64 CO 0.07 0.34 -0.28 0.24 -1.08 0.00 0.00 178.44 177.72 2giw h MET 65 N 0.56 -0.73 -0.18 1.13 2.86 -1.60 -0.03 114.93 116.95 2giw h MET 65 Ca 0.17 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.89 2giw h MET 65 Cb -0.04 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2giw h MET 65 CO -0.05 -0.49 -0.01 1.49 1.06 0.00 0.00 176.91 178.91 2giw h GLU 66 N -0.76 0.04 0.28 1.72 4.81 -1.08 0.07 114.58 119.66 2giw h GLU 66 Ca -0.07 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2giw h GLU 66 Cb 0.60 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 2giw h GLU 66 CO 0.10 0.02 -0.32 -0.92 -0.73 0.00 0.00 179.01 177.16 2giw h TYR 67 N 0.04 -0.89 -0.62 0.92 3.20 -0.99 0.12 116.97 118.74 2giw h TYR 67 Ca 0.08 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.00 2giw h TYR 67 Cb 0.11 0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 2giw h TYR 67 CO -0.18 -0.42 0.41 -0.07 -1.64 0.00 0.00 178.16 176.27 2giw h LEU 68 N -0.61 0.61 -0.96 2.82 -0.00 -0.88 0.29 115.31 116.57 2giw h LEU 68 Ca -0.04 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 57.73 2giw h LEU 68 Cb 0.54 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 2giw h LEU 68 CO -0.06 0.42 -0.44 -0.08 -0.00 0.00 0.00 178.44 178.28 2giw h GLU 69 N 0.71 0.17 -0.93 1.13 4.81 -0.77 -3.39 114.58 116.30 2giw h GLU 69 Ca 0.25 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 59.22 2giw h GLU 69 Cb 0.12 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.34 2giw h GLU 69 CO -0.07 0.58 -0.51 -1.71 -0.73 0.00 0.00 179.01 176.57 2giw n ASN 70 N -4.01 -3.27 -0.05 1.04 2.85 0.01 -4.59 115.26 107.25 2giw n ASN 70 Ca -0.02 -2.95 -0.15 0.00 -0.11 0.00 0.00 54.58 51.36 2giw n ASN 70 Cb 0.49 1.67 -0.07 0.00 1.24 0.00 0.00 39.78 43.11 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 4.89 0.60 0.00 1.20 0.13 -0.70 -0.35 132.00 137.77 2giw h PRO 71 Ca 0.04 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2giw h PRO 71 Cb 1.09 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2giw h PRO 71 CO 0.07 1.04 0.00 0.36 -0.23 0.00 0.00 178.00 179.24 2giw n LYS 72 N -4.23 0.16 -0.10 0.86 -0.00 -1.26 -1.14 118.16 112.45 2giw n LYS 72 Ca -0.07 0.58 -0.16 0.00 -0.00 0.00 0.00 58.31 58.67 2giw n LYS 72 Cb 0.57 -1.94 -0.07 0.00 -0.00 0.00 0.00 35.03 33.59 2giw n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2giw n LYS 73 N -2.26 0.53 -0.21 -1.58 4.81 -0.66 -4.25 118.16 114.53 2giw n LYS 73 Ca -0.01 0.43 0.02 0.00 -0.87 0.00 0.00 58.31 57.88 2giw n LYS 73 Cb 0.09 -1.62 0.12 0.00 0.02 0.00 0.00 35.03 33.63 2giw n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 2giw h TYR 74 N -1.00 0.04 -3.56 5.64 3.20 -0.88 -3.35 116.97 117.06 2giw h TYR 74 Ca -0.26 0.04 -0.67 0.00 3.14 0.00 0.00 58.73 60.98 2giw h TYR 74 Cb 1.08 0.08 -0.32 0.00 1.54 0.00 0.00 36.73 39.12 2giw h TYR 74 CO -0.13 -0.14 -0.74 0.42 -1.64 0.00 0.00 178.16 175.93 2giw s ILE 75 N -6.13 2.92 -1.17 1.81 1.01 -0.29 -5.04 121.20 114.30 2giw s ILE 75 Ca -0.13 -1.07 -0.19 0.00 0.00 0.00 0.00 60.65 59.26 2giw s ILE 75 Cb 0.19 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2giw s ILE 75 CO 0.74 0.15 1.99 -0.81 0.00 0.00 0.00 174.94 177.01 2giw n PRO 76 N 4.66 2.30 0.00 2.79 -0.04 -1.26 -3.42 135.00 140.04 2giw n PRO 76 Ca -0.16 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.83 2giw n PRO 76 Cb 0.46 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 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 4.75 0.72 3.70 0.55 0.00 -1.26 -4.99 105.19 108.65 2giw n GLY 77 Ca 0.50 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.52 2.45 -2.03 2.61 -1.32 -1.22 -4.70 115.64 110.91 2giw s THR 78 Ca 0.00 0.14 0.26 0.00 -1.21 0.00 0.00 61.69 60.89 2giw s THR 78 Cb 0.00 -2.61 0.32 0.00 -1.51 0.00 0.00 72.50 68.71 2giw s THR 78 CO 0.00 -0.19 1.57 1.17 -2.21 0.00 0.00 174.62 174.96 2giw n LYS 79 N -4.02 1.15 -2.50 7.08 4.81 -1.26 -4.91 118.16 118.52 2giw n LYS 79 Ca 0.06 -0.71 -0.38 0.00 -0.87 0.00 0.00 58.31 56.41 2giw n LYS 79 Cb 0.56 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 34.08 2giw n LYS 79 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 2giw s MET 80 N -2.34 4.38 -0.49 1.64 1.75 -1.26 -5.02 119.30 117.95 2giw s MET 80 Ca 0.28 1.67 0.03 0.00 -1.25 0.00 0.00 55.69 56.41 2giw s MET 80 Cb 0.20 -2.85 0.14 0.00 2.84 0.00 0.00 34.83 35.15 2giw s MET 80 CO 0.46 0.01 0.28 0.42 -0.65 0.00 0.00 175.02 175.55 2giw s ILE 81 N -1.41 1.84 -0.45 10.11 -1.09 -1.26 -4.84 121.20 124.09 2giw s ILE 81 Ca 0.51 -2.98 0.06 0.00 -2.23 0.00 0.00 60.65 56.02 2giw s ILE 81 Cb -0.27 -2.27 0.31 0.00 -1.58 0.00 0.00 42.46 38.65 2giw s ILE 81 CO 0.34 -0.90 1.11 0.33 -1.23 0.00 0.00 174.94 174.59 2giw n PHE 82 N 3.19 -2.73 -0.32 3.97 7.35 -1.26 -5.05 117.46 122.61 2giw n PHE 82 Ca 0.10 -1.94 0.14 0.00 -0.76 0.00 0.00 57.45 54.99 2giw n PHE 82 Cb 0.35 1.59 0.33 0.00 0.35 0.00 0.00 39.48 42.09 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 3.09 1.57 -2.64 3.13 0.00 -1.93 -3.39 119.26 119.09 2giw h ALA 83 Ca -0.13 0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 2giw h ALA 83 Cb 1.10 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 2giw h ALA 83 CO 0.15 -0.26 -0.54 0.20 0.00 0.00 0.00 179.25 178.80 2giw s GLY 84 N -3.81 1.31 -0.08 0.00 0.00 -1.26 -4.42 107.32 99.06 2giw s GLY 84 Ca -0.11 -1.58 -0.09 0.00 0.00 0.00 0.00 44.72 42.94 2giw s GLY 84 CO 0.79 -1.28 -0.20 4.51 0.00 0.00 0.00 173.10 176.92 2giw n ILE 85 N -0.30 1.25 0.15 0.90 3.06 -1.26 -5.04 119.36 118.12 2giw n ILE 85 Ca 0.02 0.14 0.00 0.00 -2.50 0.00 0.00 62.75 60.40 2giw n ILE 85 Cb 0.65 -1.93 0.00 0.00 0.54 0.00 0.00 39.64 38.90 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 -3.95 0.00 0.02 9.51 4.81 -1.26 -4.93 118.16 122.36 2giw n LYS 86 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 2giw n LYS 86 Cb 0.40 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.45 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 -3.12 0.00 -2.65 1.64 4.81 -1.26 -5.02 118.16 112.55 2giw n LYS 87 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 2giw n LYS 87 Cb 0.00 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.08 2giw n LYS 87 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2giw n LYS 88 N -2.14 0.01 0.00 1.64 4.81 -1.26 -5.02 118.16 116.21 2giw n LYS 88 Ca 0.00 -0.52 0.00 0.00 -0.87 0.00 0.00 58.31 56.92 2giw n LYS 88 Cb 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.04 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 -0.09 0.00 -0.11 3.15 5.66 -1.26 -4.90 114.28 116.73 2giw n THR 89 Ca -0.22 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.80 2giw n THR 89 Cb 0.68 -0.16 0.32 0.00 -1.55 0.00 0.00 70.33 69.61 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 0.78 -0.50 1.09 5.08 -1.95 0.74 114.58 119.81 2giw h GLU 90 Ca 0.00 -0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.45 2giw h GLU 90 Cb 0.00 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2giw h GLU 90 CO 0.00 0.54 0.49 0.07 -1.00 0.00 0.00 179.01 179.10 2giw h ARG 91 N 0.79 0.00 0.00 2.33 -0.00 -1.93 -0.53 114.38 115.05 2giw h ARG 91 Ca 0.21 0.00 -0.46 0.00 -0.00 0.00 0.00 59.98 59.73 2giw h ARG 91 Cb -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 29.85 2giw h ARG 91 CO -0.04 0.00 -2.54 -1.91 -0.00 0.00 0.00 179.97 175.47 2giw n GLU 92 N -3.83 0.59 0.05 0.08 4.07 0.08 -3.92 120.64 117.76 2giw n GLU 92 Ca 0.09 0.25 -0.11 0.00 -0.06 0.00 0.00 57.16 57.33 2giw n GLU 92 Cb 0.69 -1.49 -0.04 0.00 -0.06 0.00 0.00 31.44 30.54 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 -0.89 -0.75 -0.26 4.31 3.32 -0.96 -1.01 116.42 120.18 2giw h ASP 93 Ca -0.69 0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.48 2giw h ASP 93 Cb 1.65 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 41.48 2giw h ASP 93 CO -0.39 -0.32 0.13 -0.07 -1.72 0.00 0.00 179.24 176.87 2giw h LEU 94 N -0.38 0.20 -2.09 1.55 -0.00 -1.33 0.37 115.31 113.63 2giw h LEU 94 Ca 0.07 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 2giw h LEU 94 Cb 0.47 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.10 2giw h LEU 94 CO -0.24 0.15 -0.06 0.40 -0.00 0.00 0.00 178.44 178.69 2giw h ILE 95 N 0.28 0.31 0.15 1.22 5.03 -1.64 0.70 117.51 123.56 2giw h ILE 95 Ca 0.11 -0.39 -0.27 0.00 -0.12 0.00 0.00 64.86 64.19 2giw h ILE 95 Cb 0.03 1.29 0.01 0.00 -3.03 0.00 0.00 36.82 35.11 2giw h ILE 95 CO -0.07 0.06 -1.31 0.00 -0.68 0.00 0.00 178.15 176.15 2giw h ALA 96 N 1.94 0.06 0.68 1.87 0.00 0.38 -2.11 119.26 122.08 2giw h ALA 96 Ca -0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 54.91 53.92 2giw h ALA 96 Cb 0.28 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2giw h ALA 96 CO 0.01 0.71 -0.44 -0.92 0.00 0.00 0.00 179.25 178.61 2giw h TYR 97 N -0.21 -1.19 0.00 0.00 3.20 -0.90 -3.18 116.97 114.69 2giw h TYR 97 Ca -0.26 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.60 2giw h TYR 97 Cb 1.83 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 40.52 2giw h TYR 97 CO 0.14 -0.65 -0.02 -0.07 -1.64 0.00 0.00 178.16 175.92 2giw h LEU 98 N -1.07 0.00 -2.08 2.82 3.38 -0.90 0.24 115.31 117.71 2giw h LEU 98 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2giw h LEU 98 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2giw h LEU 98 CO 0.08 0.02 -0.06 0.50 0.09 0.00 0.00 178.44 179.07 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.11 -1.36 -1.03 116.57 118.43 2giw h LYS 99 Ca -0.00 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 2giw h LYS 99 Cb 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.27 2giw h LYS 99 CO 0.00 0.06 -1.83 0.36 -2.81 0.00 0.00 179.45 175.23 2giw n LYS 100 N -3.36 0.86 -0.20 1.90 2.85 0.48 -4.56 118.16 116.12 2giw n LYS 100 Ca -0.02 -0.10 -0.05 0.00 -1.05 0.00 0.00 58.31 57.10 2giw n LYS 100 Cb 0.21 -1.38 0.13 0.00 -0.65 0.00 0.00 35.03 33.34 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 1.21 1.11 0.00 0.58 0.00 -0.11 0.15 119.26 122.21 2giw h ALA 101 Ca -0.14 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2giw h ALA 101 Cb 1.15 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2giw h ALA 101 CO 0.01 0.61 0.15 0.00 0.00 0.00 0.00 179.25 180.01 2giw h THR 102 N 0.96 0.00 -1.19 0.00 1.03 -1.43 -3.04 112.91 109.24 2giw h THR 102 Ca 0.21 0.00 -0.40 0.00 -0.01 0.00 0.00 66.41 66.21 2giw h THR 102 Cb 0.29 0.43 -0.29 0.00 -1.07 0.00 0.00 68.15 67.51 2giw h THR 102 CO -0.01 0.00 -0.87 -3.20 -0.01 0.00 0.00 175.52 171.43 2giw n ASN 103 N -2.24 -0.78 0.00 0.00 5.15 -0.03 -4.73 115.26 112.63 2giw n ASN 103 Ca -0.01 -3.11 0.00 0.00 -0.60 0.00 0.00 54.58 50.86 2giw n ASN 103 Cb 0.18 0.39 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82