#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 2.93 0.08 1.61 -1.08 -1.26 -4.76 116.67 114.19 2giw s ASP 2 Ca 0.00 -0.99 -0.17 0.00 -0.52 0.00 0.00 52.55 50.86 2giw s ASP 2 Cb 0.00 -0.19 -0.09 0.00 -1.46 0.00 0.00 42.92 41.17 2giw s ASP 2 CO 0.00 -0.08 1.43 0.58 0.52 0.00 0.00 175.17 177.63 2giw h VAL 3 N 2.60 1.30 0.15 1.11 2.07 -1.87 0.16 116.25 121.77 2giw h VAL 3 Ca -0.40 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 2giw h VAL 3 Cb 1.23 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2giw h VAL 3 CO 0.59 0.39 -0.07 -0.33 0.02 0.00 0.00 177.57 178.17 2giw h GLU 4 N 0.27 -0.19 -0.85 1.57 5.08 -1.97 0.12 114.58 118.61 2giw h GLU 4 Ca 0.05 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2giw h GLU 4 Cb 0.67 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 2giw h GLU 4 CO 0.04 0.11 0.56 0.87 -1.00 0.00 0.00 179.01 179.59 2giw h LYS 5 N -0.50 1.12 0.13 2.33 1.57 -1.94 -0.92 116.57 118.36 2giw h LYS 5 Ca -0.02 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2giw h LYS 5 Cb 0.39 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2giw h LYS 5 CO 0.03 0.75 -0.21 0.78 -0.57 0.00 0.00 179.45 180.23 2giw h GLY 6 N 1.15 -0.39 1.47 3.86 0.00 -0.48 0.42 103.07 109.11 2giw h GLY 6 Ca 0.31 0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.93 2giw h GLY 6 CO -0.07 -0.19 0.22 1.70 0.00 0.00 0.00 176.54 178.20 2giw h LYS 7 N -0.40 0.00 0.00 4.80 3.64 -0.18 0.42 116.57 124.85 2giw h LYS 7 Ca 0.02 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 2giw h LYS 7 Cb 0.41 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2giw h LYS 7 CO -0.11 0.00 -0.70 -0.22 -2.27 0.00 0.00 179.45 176.15 2giw h LYS 8 N 0.00 0.00 -0.46 1.90 1.63 -0.60 -3.28 116.57 115.76 2giw h LYS 8 Ca 0.08 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 2giw h LYS 8 Cb 0.51 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 2giw h LYS 8 CO -0.00 0.44 -0.02 0.82 -3.45 0.00 0.00 179.45 177.24 2giw h ILE 9 N -1.00 1.26 0.02 2.00 2.04 -0.66 0.68 117.51 121.85 2giw h ILE 9 Ca -0.13 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.65 2giw h ILE 9 Cb 0.79 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 2giw h ILE 9 CO -0.08 0.38 -0.30 0.15 0.00 0.00 0.00 178.15 178.30 2giw h PHE 10 N 0.68 -0.89 -0.97 1.37 3.04 -1.12 -1.73 116.94 117.32 2giw h PHE 10 Ca 0.13 0.03 0.14 0.00 3.98 0.00 0.00 57.97 62.24 2giw h PHE 10 Cb 0.53 0.38 -0.08 0.00 2.56 0.00 0.00 35.95 39.34 2giw h PHE 10 CO 0.04 -0.33 0.61 0.28 -2.02 0.00 0.00 178.31 176.90 2giw h VAL 11 N -0.39 0.86 -0.76 1.41 2.07 -1.52 0.82 116.25 118.74 2giw h VAL 11 Ca 0.00 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.32 2giw h VAL 11 Cb 0.41 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 2giw h VAL 11 CO -0.19 0.16 0.50 -0.61 0.02 0.00 0.00 177.57 177.44 2giw h GLN 12 N 0.87 0.64 -0.04 1.57 4.15 -0.35 -3.26 115.11 118.69 2giw h GLN 12 Ca 0.50 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.71 2giw h GLN 12 Cb 0.63 -0.14 -0.30 0.00 0.21 0.00 0.00 27.48 27.87 2giw h GLN 12 CO -0.27 0.42 -0.79 0.36 -1.93 0.00 0.00 178.83 176.63 2giw n LYS 13 N -4.50 0.22 0.00 1.69 -0.00 0.48 -4.89 118.16 111.16 2giw n LYS 13 Ca 0.13 -1.81 0.00 0.00 -0.00 0.00 0.00 58.31 56.63 2giw n LYS 13 Cb 0.34 0.02 0.00 0.00 -0.00 0.00 0.00 35.03 35.39 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 2.30 -1.06 0.00 0.00 -1.58 0.36 119.26 119.27 2giw h ALA 15 Ca 0.00 0.01 0.35 0.00 0.00 0.00 0.00 54.91 55.27 2giw h ALA 15 Cb 0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.72 2giw h ALA 15 CO 0.00 -0.58 0.63 0.37 0.00 0.00 0.00 179.25 179.67 2giw h GLN 16 N 0.34 0.25 0.02 0.00 4.15 -1.90 -1.24 115.11 116.73 2giw h GLN 16 Ca 0.46 -0.02 -0.36 0.00 0.77 0.00 0.00 58.65 59.50 2giw h GLN 16 Cb 1.24 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.81 2giw h GLN 16 CO -0.15 0.17 -2.26 0.00 -1.93 0.00 0.00 178.83 174.65 2giw s HIS 18 N -2.53 2.98 -1.35 0.00 3.76 -0.29 -2.62 115.29 115.24 2giw s HIS 18 Ca -0.19 -3.07 -0.17 0.00 -0.15 0.00 0.00 55.06 51.48 2giw s HIS 18 Cb 0.07 -2.39 0.05 0.00 1.11 0.00 0.00 32.58 31.43 2giw s HIS 18 CO 0.74 -0.65 1.94 0.25 -0.85 0.00 0.00 174.74 176.17 2giw n THR 19 N 2.48 3.65 -1.45 1.30 -2.24 -1.17 -4.12 114.28 112.73 2giw n THR 19 Ca 0.17 -3.57 -0.50 0.00 -2.27 0.00 0.00 64.05 57.88 2giw n THR 19 Cb 0.36 -2.44 -0.07 0.00 -2.10 0.00 0.00 70.33 66.08 2giw n THR 19 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2giw n VAL 20 N 5.94 0.18 -2.65 2.28 0.24 -1.26 -4.18 118.33 118.88 2giw n VAL 20 Ca 0.50 -0.28 -0.02 0.00 -2.04 0.00 0.00 64.34 62.50 2giw n VAL 20 Cb 0.43 -1.69 0.10 0.00 -1.47 0.00 0.00 33.84 31.22 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 8.26 1.10 -3.96 7.34 4.07 -1.26 -4.99 120.64 131.20 2giw n GLU 21 Ca 0.41 -1.09 -0.32 0.00 -0.06 0.00 0.00 57.16 56.11 2giw n GLU 21 Cb 0.24 0.29 -0.01 0.00 -0.06 0.00 0.00 31.44 31.90 2giw n GLU 21 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2giw n LYS 22 N -1.16 -0.58 0.00 5.31 2.85 -1.26 -3.43 118.16 119.89 2giw n LYS 22 Ca -0.14 -0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 2giw n LYS 22 Cb 0.81 -1.93 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 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 -1.94 0.78 0.00 2.58 0.00 -1.26 -5.08 105.19 100.27 2giw n GLY 23 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.66 3.12 -0.02 0.00 -1.22 -5.13 105.19 102.60 2giw n GLY 24 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 2.04 0.70 0.00 1.61 1.02 -1.26 -5.05 119.74 118.80 2giw s LYS 25 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.91 2giw s LYS 25 Cb 0.00 -0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 2giw s LYS 25 CO 0.00 0.02 0.00 -2.39 -0.92 0.00 0.00 175.35 172.06 2giw n HIS 26 N 0.64 0.00 0.00 3.18 1.44 -1.26 -3.61 115.22 115.61 2giw n HIS 26 Ca -0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 2giw n HIS 26 Cb 0.58 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.69 2giw n HIS 26 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2giw n LYS 27 N 0.00 0.00 -0.01 -1.40 3.00 -1.26 -3.60 118.16 114.89 2giw n LYS 27 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 2giw n LYS 27 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 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 1.00 -3.28 3.15 -1.04 -1.26 -4.98 114.28 107.87 2giw n THR 28 Ca 0.00 -1.04 0.03 0.00 -2.04 0.00 0.00 64.05 61.00 2giw n THR 28 Cb 0.00 0.46 -0.04 0.00 -1.82 0.00 0.00 70.33 68.93 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 -1.11 0.06 0.05 3.41 0.00 -1.08 -4.85 107.32 103.80 2giw s GLY 29 Ca 0.03 3.37 -0.30 0.00 0.00 0.00 0.00 44.72 47.82 2giw s GLY 29 CO 0.00 3.33 1.82 2.56 0.00 0.00 0.00 173.10 180.82 2giw s PRO 30 N 2.25 4.16 -0.02 2.90 0.04 -1.26 -4.27 135.00 138.79 2giw s PRO 30 Ca -0.01 2.49 -0.35 0.00 0.04 0.00 0.00 61.00 63.18 2giw s PRO 30 Cb -0.03 -3.87 -0.13 0.00 0.04 0.00 0.00 34.50 30.50 2giw s PRO 30 CO -0.17 -0.87 1.75 0.27 0.04 0.00 0.00 177.00 178.02 2giw n ASN 31 N 6.61 3.14 -3.26 6.66 6.94 -1.26 -4.80 115.26 129.29 2giw n ASN 31 Ca 0.18 1.02 -0.32 0.00 -0.02 0.00 0.00 54.58 55.45 2giw n ASN 31 Cb 0.40 -1.36 -0.02 0.00 -2.36 0.00 0.00 39.78 36.44 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 5.34 7.04 0.04 -4.53 4.77 -1.26 -4.69 117.00 123.71 2giw n LEU 32 Ca 0.21 -3.71 -0.12 0.00 -0.03 0.00 0.00 56.01 52.36 2giw n LEU 32 Cb 0.27 -1.36 -0.07 0.00 -2.33 0.00 0.00 43.42 39.93 2giw n LEU 32 CO 0.70 1.41 0.86 -0.74 -1.33 0.00 0.00 177.39 178.29 2giw h HIS 33 N 5.62 -0.01 -2.20 -1.77 -0.00 -1.90 -3.40 115.15 111.48 2giw h HIS 33 Ca 0.70 -0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.78 2giw h HIS 33 Cb 0.24 0.00 -0.33 0.00 -0.00 0.00 0.00 27.41 27.32 2giw h HIS 33 CO 1.91 0.00 -0.60 0.20 -0.00 0.00 0.00 177.93 179.44 2giw s GLY 34 N -2.21 -0.16 -0.07 5.26 0.00 -1.26 -4.25 107.32 104.64 2giw s GLY 34 Ca -0.13 0.06 -0.10 0.00 0.00 0.00 0.00 44.72 44.56 2giw s GLY 34 CO 0.66 2.52 -0.19 1.04 0.00 0.00 0.00 173.10 177.13 2giw n LEU 35 N 5.32 1.51 -4.55 0.66 7.99 -1.26 -4.69 117.00 121.98 2giw n LEU 35 Ca -0.03 0.24 -0.36 0.00 -0.01 0.00 0.00 56.01 55.85 2giw n LEU 35 Cb 0.48 -0.55 -0.03 0.00 -0.11 0.00 0.00 43.42 43.21 2giw n LEU 35 CO 0.04 -0.40 1.57 -0.36 -1.51 0.00 0.00 177.39 176.73 2giw s PHE 36 N -2.47 1.66 0.00 -1.77 0.40 -1.25 -1.55 117.98 113.00 2giw s PHE 36 Ca -0.17 0.80 0.00 0.00 -0.60 0.00 0.00 56.93 56.97 2giw s PHE 36 Cb 0.03 -4.05 0.00 0.00 0.51 0.00 0.00 43.02 39.50 2giw s PHE 36 CO 0.24 -2.21 0.00 0.41 0.70 0.00 0.00 175.22 174.36 2giw n GLY 37 N 5.93 0.72 3.01 4.36 0.00 -0.23 -5.02 105.19 113.96 2giw n GLY 37 Ca 0.25 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.63 1.47 -0.67 1.61 6.06 0.88 -5.02 118.95 121.64 2giw s ARG 38 Ca 0.00 -1.88 -0.39 0.00 -2.50 0.00 0.00 55.73 50.96 2giw s ARG 38 Cb 0.00 -3.17 -0.20 0.00 0.06 0.00 0.00 34.95 31.64 2giw s ARG 38 CO 0.00 -0.95 2.31 1.63 -2.50 0.00 0.00 175.30 175.79 2giw n LYS 39 N 4.23 0.00 -1.97 5.12 5.02 -1.26 -3.68 118.16 125.63 2giw n LYS 39 Ca 0.04 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.04 2giw n LYS 39 Cb 0.42 -1.48 0.13 0.00 -0.02 0.00 0.00 35.03 34.07 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 6.97 2.03 -0.28 -0.18 2.01 -0.20 -4.37 115.64 121.62 2giw s THR 40 Ca 1.24 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 63.19 2giw s THR 40 Cb -1.40 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 68.13 2giw s THR 40 CO 0.59 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 2giw n GLY 41 N -3.45 0.36 2.67 4.40 0.00 -1.26 -4.56 105.19 103.35 2giw n GLY 41 Ca 0.11 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.28 2giw n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2giw n GLN 42 N -1.78 0.12 -3.85 1.61 10.64 -1.26 -4.85 117.38 118.01 2giw n GLN 42 Ca -0.03 -0.82 -0.36 0.00 -1.83 0.00 0.00 57.00 53.95 2giw n GLN 42 Cb 0.40 0.03 -0.06 0.00 -0.86 0.00 0.00 30.24 29.76 2giw n GLN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2giw s ALA 43 N 0.87 3.88 -0.92 2.61 0.00 -1.26 -5.01 121.76 121.93 2giw s ALA 43 Ca 0.24 -0.62 -0.24 0.00 0.00 0.00 0.00 51.96 51.34 2giw s ALA 43 Cb 0.14 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 2giw s ALA 43 CO -0.10 0.63 1.84 -1.25 0.00 0.00 0.00 175.76 176.88 2giw s PRO 44 N -1.22 2.76 0.00 0.00 0.04 -1.26 -4.20 135.00 131.12 2giw s PRO 44 Ca 0.18 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.80 2giw s PRO 44 Cb -0.13 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.32 2giw s PRO 44 CO 0.08 -3.12 0.00 0.41 0.04 0.00 0.00 177.00 174.40 2giw n GLY 45 N 6.82 1.46 3.23 0.56 0.00 -1.26 -4.92 105.19 111.08 2giw n GLY 45 Ca 0.38 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 4.18 -1.02 1.61 7.35 -1.26 -4.82 117.46 123.49 2giw n PHE 46 Ca 0.00 -3.06 -0.16 0.00 -0.76 0.00 0.00 57.45 53.46 2giw n PHE 46 Cb 0.00 -2.24 -0.14 0.00 0.35 0.00 0.00 39.48 37.45 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 4.60 3.14 -3.33 -2.13 5.66 -1.26 -4.85 114.28 116.11 2giw n THR 47 Ca 0.41 -1.65 0.00 0.00 -3.05 0.00 0.00 64.05 59.77 2giw n THR 47 Cb 0.41 -2.10 0.00 0.00 -1.55 0.00 0.00 70.33 67.09 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 2.72 -1.40 -2.06 1.09 4.11 -1.26 -4.32 117.16 116.04 2giw n TYR 48 Ca 0.48 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 58.05 2giw n TYR 48 Cb 0.77 0.18 0.01 0.00 -0.00 0.00 0.00 39.34 40.30 2giw n TYR 48 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2giw s THR 49 N 0.00 3.80 0.44 -3.48 -4.23 -1.26 -4.84 115.64 106.07 2giw s THR 49 Ca 0.00 0.86 0.27 0.00 -1.18 0.00 0.00 61.69 61.64 2giw s THR 49 Cb 0.00 -3.38 0.47 0.00 1.34 0.00 0.00 72.50 70.92 2giw s THR 49 CO 0.00 -0.49 1.71 -0.78 -0.54 0.00 0.00 174.62 174.52 2giw h ASP 50 N 0.47 0.28 -0.22 3.99 3.58 -1.94 0.14 116.42 122.72 2giw h ASP 50 Ca -0.47 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.06 2giw h ASP 50 Cb 1.22 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 2giw h ASP 50 CO 0.57 -0.03 0.14 0.00 -2.88 0.00 0.00 179.24 177.04 2giw h ALA 51 N 1.55 1.80 0.08 -0.78 0.00 -1.91 0.46 119.26 120.45 2giw h ALA 51 Ca 0.69 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 55.22 2giw h ALA 51 Cb 2.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 2giw h ALA 51 CO -0.29 0.18 -1.95 -1.71 0.00 0.00 0.00 179.25 175.49 2giw n ASN 52 N -4.48 1.66 0.11 0.00 4.05 -0.10 -4.04 115.26 112.47 2giw n ASN 52 Ca 0.01 0.25 0.04 0.00 0.45 0.00 0.00 54.58 55.32 2giw n ASN 52 Cb 0.09 -0.53 0.43 0.00 1.23 0.00 0.00 39.78 41.00 2giw n ASN 52 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 2giw h LYS 53 N 0.04 0.27 -0.00 1.20 1.63 -0.20 -0.29 116.57 119.22 2giw h LYS 53 Ca -0.39 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2giw h LYS 53 Cb 2.03 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.61 2giw h LYS 53 CO 0.07 0.32 -0.06 -1.71 -3.45 0.00 0.00 179.45 174.62 2giw n ASN 54 N -4.36 0.13 -0.28 4.20 2.85 0.16 -4.11 115.26 113.84 2giw n ASN 54 Ca -0.00 -0.02 -0.06 0.00 -0.11 0.00 0.00 54.58 54.38 2giw n ASN 54 Cb 0.20 -0.27 0.06 0.00 1.24 0.00 0.00 39.78 41.00 2giw n ASN 54 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2giw h LYS 55 N 0.11 1.16 -3.14 1.20 1.63 -1.18 -3.47 116.57 112.87 2giw h LYS 55 Ca 0.00 -0.21 -0.28 0.00 -0.85 0.00 0.00 60.65 59.30 2giw h LYS 55 Cb 0.39 -0.19 0.04 0.00 -0.60 0.00 0.00 32.23 31.87 2giw h LYS 55 CO 0.00 0.94 -0.42 0.41 -3.45 0.00 0.00 179.45 176.94 2giw n GLY 56 N -0.86 -0.16 0.00 5.01 0.00 -1.26 -5.03 105.19 102.88 2giw n GLY 56 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.12 0.00 -1.18 -0.61 -5.35 -1.26 -4.92 119.36 101.92 2giw n ILE 57 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2giw n ILE 57 Cb 0.59 -0.93 0.00 0.00 -1.74 0.00 0.00 39.64 37.56 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 0.03 -2.68 7.28 -1.04 -1.26 -1.03 114.28 115.58 2giw n THR 58 Ca 0.00 -0.04 -0.02 0.00 -2.04 0.00 0.00 64.05 61.95 2giw n THR 58 Cb 0.00 0.88 -0.02 0.00 -1.82 0.00 0.00 70.33 69.37 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 -0.02 -2.36 -4.20 -1.42 5.03 -1.24 -0.09 117.44 113.14 2giw n TRP 59 Ca 0.00 1.38 -0.15 0.00 3.03 0.00 0.00 57.50 61.76 2giw n TRP 59 Cb 0.54 -2.49 -0.08 0.00 -1.03 0.00 0.00 31.31 28.24 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 -0.33 1.55 0.00 -0.99 -2.85 -1.26 -1.07 119.74 114.79 2giw s LYS 60 Ca -0.12 -1.76 0.00 0.00 -1.00 0.00 0.00 55.97 53.09 2giw s LYS 60 Cb 0.01 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 2giw s LYS 60 CO 0.31 -0.57 0.88 -0.85 0.10 0.00 0.00 175.35 175.23 2giw n GLU 61 N -0.46 0.58 0.09 1.78 0.28 -1.26 -1.75 120.64 119.91 2giw n GLU 61 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2giw n GLU 61 Cb 0.64 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 32.30 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 1.22 0.00 -0.29 3.44 1.02 -1.26 -4.68 120.64 120.09 2giw n GLU 62 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 2giw n GLU 62 Cb 0.29 -0.05 0.07 0.00 -0.02 0.00 0.00 31.44 31.73 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 1.25 -0.50 2.62 1.35 -1.90 -1.26 112.91 114.47 2giw h THR 63 Ca 0.00 -0.67 -0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2giw h THR 63 Cb 0.03 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 66.65 2giw h THR 63 CO 0.00 0.29 0.31 -0.07 -0.25 0.00 0.00 175.52 175.80 2giw h LEU 64 N 1.12 0.60 0.25 3.87 4.07 -1.67 -0.46 115.31 123.09 2giw h LEU 64 Ca 0.28 -0.05 0.01 0.00 0.08 0.00 0.00 57.88 58.19 2giw h LEU 64 Cb 0.09 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 2giw h LEU 64 CO -0.04 0.47 -0.40 0.24 -1.08 0.00 0.00 178.44 177.64 2giw h MET 65 N 0.68 -0.69 -0.21 1.13 2.86 -1.60 -0.39 114.93 116.70 2giw h MET 65 Ca 0.18 0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.90 2giw h MET 65 Cb -0.02 0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2giw h MET 65 CO -0.03 -0.46 -0.00 0.93 1.06 0.00 0.00 176.91 178.40 2giw h GLU 66 N -0.71 0.06 0.48 1.72 3.07 -1.14 -0.65 114.58 117.40 2giw h GLU 66 Ca -0.00 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 2giw h GLU 66 Cb 0.69 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 2giw h GLU 66 CO -0.15 0.04 -0.28 -0.92 -1.40 0.00 0.00 179.01 176.30 2giw h TYR 67 N 0.06 -0.72 -0.04 4.33 3.20 -0.93 -0.62 116.97 122.24 2giw h TYR 67 Ca 0.10 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2giw h TYR 67 Cb 0.13 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2giw h TYR 67 CO -0.18 -0.43 -0.10 -0.07 -1.64 0.00 0.00 178.16 175.73 2giw h LEU 68 N -0.71 0.05 -0.19 2.82 -0.00 -0.94 0.74 115.31 117.08 2giw h LEU 68 Ca -0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 2giw h LEU 68 Cb 0.57 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 2giw h LEU 68 CO 0.07 0.17 0.06 -0.08 -0.00 0.00 0.00 178.44 178.67 2giw h GLU 69 N 0.06 0.29 -0.87 1.13 4.22 -0.74 -3.43 114.58 115.24 2giw h GLU 69 Ca 0.01 -0.06 -0.29 0.00 0.08 0.00 0.00 59.36 59.11 2giw h GLU 69 Cb 0.23 -0.04 -0.21 0.00 0.50 0.00 0.00 28.75 29.22 2giw h GLU 69 CO 0.01 0.39 -0.63 -1.71 -2.18 0.00 0.00 179.01 174.89 2giw n ASN 70 N -4.81 -2.39 -0.19 1.04 2.85 -0.27 -4.78 115.26 106.70 2giw n ASN 70 Ca -0.04 -2.99 -0.10 0.00 -0.11 0.00 0.00 54.58 51.34 2giw n ASN 70 Cb 0.14 1.20 0.02 0.00 1.24 0.00 0.00 39.78 42.37 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 4.51 1.04 0.00 1.20 0.13 -1.11 0.42 132.00 138.19 2giw h PRO 71 Ca -0.00 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2giw h PRO 71 Cb 1.02 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2giw h PRO 71 CO 0.25 1.08 0.00 0.36 -0.23 0.00 0.00 178.00 179.46 2giw n LYS 72 N -4.14 0.24 -0.12 0.86 -0.00 -1.26 -1.14 118.16 112.59 2giw n LYS 72 Ca 0.02 0.13 -0.23 0.00 -0.00 0.00 0.00 58.31 58.22 2giw n LYS 72 Cb 0.41 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.86 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 -1.24 0.56 -0.18 -1.58 4.81 -0.05 -4.48 118.16 116.00 2giw n LYS 73 Ca 0.07 0.24 -0.02 0.00 -0.87 0.00 0.00 58.31 57.74 2giw n LYS 73 Cb 0.11 -1.45 0.05 0.00 0.02 0.00 0.00 35.03 33.76 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 -0.97 -0.25 -3.34 5.64 3.20 -0.87 -3.38 116.97 117.01 2giw h TYR 74 Ca -0.49 0.05 -0.64 0.00 3.14 0.00 0.00 58.73 60.79 2giw h TYR 74 Cb 1.42 0.20 -0.22 0.00 1.54 0.00 0.00 36.73 39.67 2giw h TYR 74 CO -0.18 -0.22 -0.66 0.42 -1.64 0.00 0.00 178.16 175.87 2giw s ILE 75 N -6.22 3.94 -1.13 1.81 1.01 -0.29 -5.04 121.20 115.29 2giw s ILE 75 Ca -0.14 -0.33 -0.20 0.00 0.00 0.00 0.00 60.65 59.98 2giw s ILE 75 Cb 0.18 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 2giw s ILE 75 CO 0.73 0.47 1.96 -0.81 0.00 0.00 0.00 174.94 177.29 2giw n PRO 76 N 3.74 2.15 -0.24 2.79 -0.04 -1.26 -4.19 135.00 137.94 2giw n PRO 76 Ca -0.17 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 60.84 2giw n PRO 76 Cb 0.52 -3.32 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 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 4.93 0.49 3.95 0.55 0.00 -1.26 -4.91 105.19 108.93 2giw n GLY 77 Ca 0.49 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.25 4.43 0.08 2.61 -1.32 -1.26 -4.63 115.64 115.30 2giw s THR 78 Ca 0.00 -0.49 0.33 0.00 -1.21 0.00 0.00 61.69 60.32 2giw s THR 78 Cb 0.00 -3.62 0.39 0.00 -1.51 0.00 0.00 72.50 67.76 2giw s THR 78 CO 0.00 -0.42 1.97 0.11 -2.21 0.00 0.00 174.62 174.07 2giw h LYS 79 N 0.55 0.00 -6.85 7.08 1.57 -1.99 -3.46 116.57 113.47 2giw h LYS 79 Ca -0.47 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.78 2giw h LYS 79 Cb 1.24 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.62 2giw h LYS 79 CO 0.59 0.00 0.69 1.41 -0.57 0.00 0.00 179.45 181.57 2giw s MET 80 N -3.65 4.30 -0.50 3.15 1.75 -1.26 -4.98 119.30 118.12 2giw s MET 80 Ca 0.01 2.28 0.04 0.00 -1.25 0.00 0.00 55.69 56.78 2giw s MET 80 Cb 0.09 -3.07 0.13 0.00 2.84 0.00 0.00 34.83 34.81 2giw s MET 80 CO 0.55 -0.30 0.24 0.42 -0.65 0.00 0.00 175.02 175.28 2giw s ILE 81 N -0.80 2.52 -0.23 10.11 -1.09 -1.26 -4.86 121.20 125.59 2giw s ILE 81 Ca 0.52 -3.19 -0.21 0.00 -2.23 0.00 0.00 60.65 55.54 2giw s ILE 81 Cb -0.41 -2.76 0.06 0.00 -1.58 0.00 0.00 42.46 37.77 2giw s ILE 81 CO 0.51 -0.78 0.62 0.12 -1.23 0.00 0.00 174.94 174.18 2giw s PHE 82 N -0.14 -0.68 0.01 3.97 5.36 -1.26 -5.10 117.98 120.13 2giw s PHE 82 Ca 0.16 1.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.80 2giw s PHE 82 Cb -0.25 0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.67 2giw s PHE 82 CO -0.01 -0.33 0.00 0.00 -1.46 0.00 0.00 175.22 173.42 2giw n ALA 83 N 2.78 3.00 -2.52 11.12 0.00 -1.26 -4.50 120.51 129.13 2giw n ALA 83 Ca -0.14 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.10 2giw n ALA 83 Cb 0.56 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -3.24 1.63 0.00 0.00 0.00 -1.26 -4.68 107.32 99.76 2giw s GLY 84 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.21 2giw s GLY 84 CO 0.00 -1.44 0.00 4.51 0.00 0.00 0.00 173.10 176.17 2giw n ILE 85 N -1.52 0.00 -2.70 0.90 3.06 -1.26 -5.06 119.36 112.77 2giw n ILE 85 Ca -0.01 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.19 2giw n ILE 85 Cb 0.59 -0.28 0.05 0.00 0.54 0.00 0.00 39.64 40.54 2giw n ILE 85 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2giw n LYS 86 N -0.64 0.34 0.00 9.51 5.02 -1.26 -4.95 118.16 126.18 2giw n LYS 86 Ca 0.00 -1.18 0.00 0.00 -2.02 0.00 0.00 58.31 55.11 2giw n LYS 86 Cb 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 2giw n LYS 86 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2giw n LYS 87 N 2.04 0.00 0.00 1.97 3.00 -1.26 -2.52 118.16 121.39 2giw n LYS 87 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2giw n LYS 87 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.68 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 0.00 0.00 -0.37 1.64 2.85 -1.26 -4.97 118.16 116.05 2giw n LYS 88 Ca 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.27 2giw n LYS 88 Cb 0.00 -0.06 0.07 0.00 -0.65 0.00 0.00 35.03 34.38 2giw n LYS 88 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2giw n THR 89 N -1.08 -0.48 0.08 0.58 -1.04 -1.05 0.18 114.28 111.47 2giw n THR 89 Ca 0.00 2.25 0.03 0.00 -2.04 0.00 0.00 64.05 64.29 2giw n THR 89 Cb 0.00 -3.01 0.40 0.00 -1.82 0.00 0.00 70.33 65.89 2giw n THR 89 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2giw h GLU 90 N 0.00 0.35 0.00 -2.82 5.08 -1.93 0.10 114.58 115.36 2giw h GLU 90 Ca 0.37 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2giw h GLU 90 Cb 0.61 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2giw h GLU 90 CO -0.97 0.38 0.00 0.54 -1.00 0.00 0.00 179.01 177.96 2giw n ARG 91 N -4.34 0.03 -0.06 2.33 1.74 0.13 -0.63 116.66 115.86 2giw n ARG 91 Ca 0.00 0.32 -0.06 0.00 -0.77 0.00 0.00 57.85 57.34 2giw n ARG 91 Cb 0.20 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 2giw n ARG 91 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2giw n GLU 92 N -1.45 1.95 -0.01 5.56 4.07 0.17 -4.05 120.64 126.88 2giw n GLU 92 Ca 0.03 -0.01 -0.02 0.00 -0.06 0.00 0.00 57.16 57.10 2giw n GLU 92 Cb 0.09 -1.32 -0.01 0.00 -0.06 0.00 0.00 31.44 30.14 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 -0.08 -0.44 4.31 3.32 -0.78 0.35 116.42 123.11 2giw h ASP 93 Ca -0.34 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 56.73 2giw h ASP 93 Cb 1.77 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 41.29 2giw h ASP 93 CO 0.02 0.43 0.16 -0.07 -1.72 0.00 0.00 179.24 178.06 2giw h LEU 94 N -1.02 0.18 0.00 1.55 -0.00 -1.13 0.23 115.31 115.12 2giw h LEU 94 Ca -0.01 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2giw h LEU 94 Cb 0.11 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2giw h LEU 94 CO 0.02 0.14 0.00 -0.38 -0.00 0.00 0.00 178.44 178.21 2giw n ILE 95 N -5.00 0.16 -0.10 1.22 2.08 -1.26 -1.07 119.36 115.40 2giw n ILE 95 Ca 0.03 0.04 -0.18 0.00 0.56 0.00 0.00 62.75 63.20 2giw n ILE 95 Cb 0.16 -0.63 -0.09 0.00 -0.75 0.00 0.00 39.64 38.33 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 -1.23 0.72 -0.01 -1.39 0.00 -0.08 -3.76 120.51 114.76 2giw n ALA 96 Ca 0.13 -0.49 -0.13 0.00 0.00 0.00 0.00 53.44 52.96 2giw n ALA 96 Cb 0.18 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.29 0.00 0.00 3.20 -0.84 -1.73 116.97 115.31 2giw h TYR 97 Ca -0.28 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 2giw h TYR 97 Cb 1.13 0.59 -0.00 0.00 1.54 0.00 0.00 36.73 39.99 2giw h TYR 97 CO 0.02 -0.49 -0.03 -0.07 -1.64 0.00 0.00 178.16 175.95 2giw h LEU 98 N -0.50 0.00 -1.43 2.82 3.38 -1.30 0.15 115.31 118.43 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 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2giw h LEU 98 CO -0.42 0.03 0.00 0.50 0.09 0.00 0.00 178.44 178.64 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.64 -1.40 -1.37 116.57 118.57 2giw h LYS 99 Ca -0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 2giw h LYS 99 Cb 0.16 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 2giw h LYS 99 CO 0.00 0.00 -2.06 0.36 -2.27 0.00 0.00 179.45 175.49 2giw n LYS 100 N -2.76 1.07 -0.31 1.90 -0.00 0.19 -4.65 118.16 113.60 2giw n LYS 100 Ca 0.00 0.05 -0.04 0.00 -0.00 0.00 0.00 58.31 58.32 2giw n LYS 100 Cb 0.23 -1.38 0.08 0.00 -0.00 0.00 0.00 35.03 33.96 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 0.41 1.08 0.00 0.58 0.00 -0.41 0.11 119.26 121.03 2giw h ALA 101 Ca -0.42 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2giw h ALA 101 Cb 1.81 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2giw h ALA 101 CO -0.02 0.51 0.37 0.00 0.00 0.00 0.00 179.25 180.11 2giw h THR 102 N 1.16 0.00 -1.53 0.00 1.03 -1.44 -2.29 112.91 109.85 2giw h THR 102 Ca 0.31 0.00 -0.43 0.00 -0.01 0.00 0.00 66.41 66.28 2giw h THR 102 Cb -0.10 0.59 -0.34 0.00 -1.07 0.00 0.00 68.15 67.22 2giw h THR 102 CO -0.06 0.00 -1.01 -3.20 -0.01 0.00 0.00 175.52 171.23 2giw n ASN 103 N -2.77 0.00 -0.59 0.00 5.15 0.24 -4.53 115.26 112.76 2giw n ASN 103 Ca -0.02 -3.14 0.07 0.00 -0.60 0.00 0.00 54.58 50.90 2giw n ASN 103 Cb 0.41 -0.02 0.06 0.00 -0.53 0.00 0.00 39.78 39.70 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82