#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 6.51 0.03 1.61 2.15 -1.26 -4.57 116.67 121.13 2giw s ASP 2 Ca 0.00 0.81 -0.19 0.00 0.43 0.00 0.00 52.55 53.60 2giw s ASP 2 Cb 0.00 -2.18 -0.21 0.00 -0.30 0.00 0.00 42.92 40.23 2giw s ASP 2 CO 0.00 -0.16 1.17 0.58 -0.17 0.00 0.00 175.17 176.59 2giw h VAL 3 N 1.57 1.39 0.33 1.11 2.07 -1.90 0.14 116.25 120.96 2giw h VAL 3 Ca -0.47 -1.94 -0.02 0.00 0.82 0.00 0.00 66.70 65.09 2giw h VAL 3 Cb 1.18 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 2giw h VAL 3 CO 0.67 0.57 -0.16 -0.33 0.02 0.00 0.00 177.57 178.35 2giw h GLU 4 N 0.01 -0.43 -0.51 1.57 4.39 -1.96 0.56 114.58 118.22 2giw h GLU 4 Ca -0.05 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.72 2giw h GLU 4 Cb 1.22 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.93 2giw h GLU 4 CO 0.11 -0.15 0.26 0.87 -1.16 0.00 0.00 179.01 178.94 2giw h LYS 5 N -0.69 0.49 0.42 2.33 1.57 -1.94 0.11 116.57 118.85 2giw h LYS 5 Ca -0.05 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2giw h LYS 5 Cb 0.48 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2giw h LYS 5 CO 0.08 0.32 -0.36 0.78 -0.57 0.00 0.00 179.45 179.70 2giw h GLY 6 N 0.50 -0.87 1.71 3.86 0.00 -0.51 0.58 103.07 108.34 2giw h GLY 6 Ca 0.22 0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.91 2giw h GLY 6 CO -0.15 -0.31 -0.06 0.07 0.00 0.00 0.00 176.54 176.08 2giw h LYS 7 N -0.78 0.36 0.05 4.80 2.10 -0.65 0.85 116.57 123.30 2giw h LYS 7 Ca -0.04 -0.08 -0.00 0.00 -2.00 0.00 0.00 60.65 58.53 2giw h LYS 7 Cb 0.68 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2giw h LYS 7 CO -0.03 0.44 -0.03 -0.22 -2.00 0.00 0.00 179.45 177.62 2giw h LYS 8 N 0.35 -0.07 -0.27 0.07 1.63 -0.70 -1.94 116.57 115.64 2giw h LYS 8 Ca 0.07 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.69 2giw h LYS 8 Cb 0.34 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2giw h LYS 8 CO 0.02 0.49 -0.56 0.82 -3.45 0.00 0.00 179.45 176.76 2giw h ILE 9 N -0.70 1.28 -0.01 2.00 2.04 -0.73 0.12 117.51 121.51 2giw h ILE 9 Ca -0.01 -1.75 0.01 0.00 1.00 0.00 0.00 64.86 64.11 2giw h ILE 9 Cb 0.59 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2giw h ILE 9 CO 0.01 0.57 -0.17 0.15 0.00 0.00 0.00 178.15 178.71 2giw h PHE 10 N 0.64 -0.50 -0.79 1.37 3.57 -0.92 -0.83 116.94 119.47 2giw h PHE 10 Ca 0.01 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.66 2giw h PHE 10 Cb 1.16 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 40.07 2giw h PHE 10 CO 0.07 -0.18 0.52 0.28 -2.23 0.00 0.00 178.31 176.77 2giw h VAL 11 N -0.21 0.85 -1.00 1.41 2.07 -1.12 0.75 116.25 119.01 2giw h VAL 11 Ca 0.01 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.39 2giw h VAL 11 Cb 0.22 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.15 2giw h VAL 11 CO -0.12 0.11 0.64 -0.61 0.02 0.00 0.00 177.57 177.61 2giw h GLN 12 N 0.58 1.15 0.00 1.57 4.15 -0.27 -3.29 115.11 119.00 2giw h GLN 12 Ca 0.39 -0.07 -0.16 0.00 0.77 0.00 0.00 58.65 59.58 2giw h GLN 12 Cb 0.68 -0.26 -0.33 0.00 0.21 0.00 0.00 27.48 27.79 2giw h GLN 12 CO -0.15 0.76 -0.91 0.36 -1.93 0.00 0.00 178.83 176.96 2giw n LYS 13 N -4.50 0.00 0.00 1.69 -0.00 0.09 -4.87 118.16 110.58 2giw n LYS 13 Ca 0.15 -1.80 0.00 0.00 -0.00 0.00 0.00 58.31 56.66 2giw n LYS 13 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.20 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 2.20 -0.98 0.00 0.00 -1.59 0.11 119.26 119.00 2giw h ALA 15 Ca 0.00 0.01 0.31 0.00 0.00 0.00 0.00 54.91 55.24 2giw h ALA 15 Cb 0.16 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.77 2giw h ALA 15 CO 0.00 -0.47 0.48 0.37 0.00 0.00 0.00 179.25 179.63 2giw h GLN 16 N 0.40 0.25 0.11 0.00 4.15 -1.90 -1.04 115.11 117.09 2giw h GLN 16 Ca 0.45 -0.02 -0.37 0.00 0.77 0.00 0.00 58.65 59.49 2giw h GLN 16 Cb 1.12 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 2giw h GLN 16 CO -0.16 0.17 -2.03 0.00 -1.93 0.00 0.00 178.83 174.87 2giw n HIS 18 N -3.48 2.03 -1.81 0.00 8.25 -0.14 -4.18 115.22 115.90 2giw n HIS 18 Ca -0.33 -3.96 -0.42 0.00 -0.26 0.00 0.00 57.72 52.75 2giw n HIS 18 Cb 1.04 -0.40 -0.01 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 1.68 3.33 -1.51 1.59 -1.04 -0.85 -4.12 114.28 113.36 2giw n THR 19 Ca 0.25 -3.01 -0.40 0.00 -2.04 0.00 0.00 64.05 58.85 2giw n THR 19 Cb 0.42 -2.53 -0.14 0.00 -1.82 0.00 0.00 70.33 66.26 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 5.45 -0.01 -2.58 12.58 0.24 -1.26 -3.72 118.33 129.03 2giw n VAL 20 Ca 0.51 -0.11 -0.01 0.00 -2.04 0.00 0.00 64.34 62.69 2giw n VAL 20 Cb 0.40 -0.77 0.05 0.00 -1.47 0.00 0.00 33.84 32.06 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 8.49 0.60 -4.39 7.34 0.00 -1.26 -4.99 120.64 126.42 2giw n GLU 21 Ca 0.63 -0.58 -0.40 0.00 0.00 0.00 0.00 57.16 56.81 2giw n GLU 21 Cb 0.10 0.17 -0.06 0.00 0.00 0.00 0.00 31.44 31.65 2giw n GLU 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2giw n LYS 22 N -0.67 -1.86 0.00 5.31 5.02 -1.26 -4.60 118.16 120.09 2giw n LYS 22 Ca -0.09 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2giw n LYS 22 Cb 0.67 -4.87 0.00 0.00 -0.02 0.00 0.00 35.03 30.81 2giw n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2giw n GLY 23 N -1.25 0.00 0.00 0.72 0.00 -1.26 -5.15 105.19 98.25 2giw n GLY 23 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.46 2.80 -0.02 0.00 -1.24 -5.03 105.19 103.16 2giw n GLY 24 Ca 0.00 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 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 2.74 0.95 0.00 1.61 2.36 -1.26 -4.98 119.74 121.16 2giw s LYS 25 Ca 0.00 -0.44 0.00 0.00 -2.55 0.00 0.00 55.97 52.98 2giw s LYS 25 Cb 0.00 -1.99 0.00 0.00 -1.05 0.00 0.00 37.83 34.79 2giw s LYS 25 CO 0.00 -0.54 0.00 0.72 1.55 0.00 0.00 175.35 177.08 2giw n HIS 26 N 4.98 0.00 0.00 4.03 8.25 -1.26 -4.38 115.22 126.84 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 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 2giw n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2giw n LYS 27 N 0.00 0.00 -0.90 -0.41 5.02 -1.26 -3.82 118.16 116.80 2giw n LYS 27 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 2giw n LYS 27 Cb 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.20 2giw n LYS 27 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2giw n THR 28 N 0.00 2.61 0.00 -0.18 -1.04 -1.26 -4.85 114.28 109.56 2giw n THR 28 Ca 0.00 -2.80 0.00 0.00 -2.04 0.00 0.00 64.05 59.21 2giw n THR 28 Cb 0.00 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 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 -1.11 -0.58 3.73 3.41 0.00 -1.25 -4.76 105.19 104.63 2giw n GLY 29 Ca 0.36 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 46.47 2giw n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2giw s PRO 30 N 0.00 4.23 -0.24 1.61 0.04 -1.26 -4.01 135.00 135.37 2giw s PRO 30 Ca 0.00 2.35 -0.39 0.00 0.04 0.00 0.00 61.00 63.00 2giw s PRO 30 Cb 0.00 -3.13 -0.15 0.00 0.04 0.00 0.00 34.50 31.26 2giw s PRO 30 CO 0.00 -0.55 1.76 -1.71 0.04 0.00 0.00 177.00 176.54 2giw n ASN 31 N 3.36 2.57 -2.88 6.66 2.85 -1.26 -4.81 115.26 121.74 2giw n ASN 31 Ca 0.11 1.06 -0.28 0.00 -0.11 0.00 0.00 54.58 55.36 2giw n ASN 31 Cb 0.39 -1.18 -0.07 0.00 1.24 0.00 0.00 39.78 40.15 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2giw n LEU 32 N 5.54 7.21 -1.91 1.20 4.77 -1.26 -4.78 117.00 127.76 2giw n LEU 32 Ca 0.26 -3.81 -0.08 0.00 -0.03 0.00 0.00 56.01 52.35 2giw n LEU 32 Cb 0.16 -1.45 -0.11 0.00 -2.33 0.00 0.00 43.42 39.69 2giw n LEU 32 CO 0.79 1.79 1.32 0.00 -1.33 0.00 0.00 177.39 179.96 2giw n HIS 33 N 3.29 0.00 0.00 -1.77 1.44 -1.26 -4.44 115.22 112.47 2giw n HIS 33 Ca 0.64 -1.20 0.00 0.00 -2.01 0.00 0.00 57.72 55.14 2giw n HIS 33 Cb 0.43 -1.18 0.00 0.00 0.12 0.00 0.00 29.99 29.36 2giw n HIS 33 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2giw n GLY 34 N 2.27 -0.18 5.03 -1.39 0.00 -1.26 -5.04 105.19 104.62 2giw n GLY 34 Ca 0.27 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.00 -4.67 0.99 4.32 -1.26 -4.33 117.00 112.04 2giw n LEU 35 Ca 0.00 0.00 -0.49 0.00 -0.02 0.00 0.00 56.01 55.50 2giw n LEU 35 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 2giw n LEU 35 CO 0.00 0.00 1.51 0.49 -1.22 0.00 0.00 177.39 178.17 2giw n PHE 36 N 0.00 2.29 -2.10 -1.77 3.01 -0.95 -0.82 117.46 117.11 2giw n PHE 36 Ca 0.00 0.02 -0.05 0.00 1.01 0.00 0.00 57.45 58.43 2giw n PHE 36 Cb 0.00 -2.66 -0.00 0.00 -0.01 0.00 0.00 39.48 36.81 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 4.52 0.18 2.67 1.37 0.00 -0.95 -5.02 105.19 107.96 2giw n GLY 37 Ca 0.24 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.26 -0.05 -0.00 1.61 3.52 -0.00 -5.06 118.95 114.71 2giw s ARG 38 Ca 0.00 0.36 -0.30 0.00 -0.13 0.00 0.00 55.73 55.66 2giw s ARG 38 Cb -0.00 -0.57 -0.07 0.00 -1.56 0.00 0.00 34.95 32.75 2giw s ARG 38 CO 0.00 -0.34 1.68 -1.59 -0.81 0.00 0.00 175.30 174.24 2giw s LYS 39 N 2.16 4.19 0.00 5.12 0.00 -1.26 -3.40 119.74 126.55 2giw s LYS 39 Ca 0.05 2.27 0.00 0.00 0.00 0.00 0.00 55.97 58.29 2giw s LYS 39 Cb -0.12 -3.87 0.00 0.00 0.00 0.00 0.00 37.83 33.84 2giw s LYS 39 CO -0.03 -0.81 0.00 -2.37 0.00 0.00 0.00 175.35 172.14 2giw n THR 40 N 5.22 0.00 -1.00 3.79 5.66 0.13 -4.63 114.28 123.46 2giw n THR 40 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 2giw n THR 40 Cb 0.42 -1.75 0.00 0.00 -1.55 0.00 0.00 70.33 67.45 2giw n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2giw n GLY 41 N 5.00 0.48 3.14 1.09 0.00 -1.26 -4.24 105.19 109.40 2giw n GLY 41 Ca 0.00 0.00 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 1.62 0.00 0.00 0.00 173.32 174.94 2giw s GLN 42 N -0.20 0.52 0.15 1.61 0.74 -1.26 -4.73 119.66 116.49 2giw s GLN 42 Ca 0.00 0.26 0.06 0.00 0.05 0.00 0.00 55.36 55.73 2giw s GLN 42 Cb 0.00 0.17 -0.04 0.00 1.10 0.00 0.00 33.01 34.24 2giw s GLN 42 CO 0.00 -0.90 0.04 0.00 -0.55 0.00 0.00 175.29 173.89 2giw s ALA 43 N 2.58 3.35 0.36 1.58 0.00 -1.26 -5.05 121.76 123.32 2giw s ALA 43 Ca 0.15 -1.24 0.15 0.00 0.00 0.00 0.00 51.96 51.01 2giw s ALA 43 Cb -0.06 -1.17 0.79 0.00 0.00 0.00 0.00 23.12 22.67 2giw s ALA 43 CO -0.21 0.55 1.85 -1.00 0.00 0.00 0.00 175.76 176.96 2giw h PRO 44 N 2.82 0.00 0.00 0.00 0.13 -2.01 -3.42 132.00 129.52 2giw h PRO 44 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2giw h PRO 44 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2giw h PRO 44 CO 0.60 0.34 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 2giw n GLY 45 N -0.45 0.75 3.54 1.56 0.00 -1.26 -5.00 105.19 104.34 2giw n GLY 45 Ca -0.02 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 0.28 2.59 -0.57 1.61 5.36 -1.26 -4.88 117.98 121.11 2giw s PHE 46 Ca 0.00 0.09 0.03 0.00 -0.96 0.00 0.00 56.93 56.08 2giw s PHE 46 Cb 0.00 -4.39 0.40 0.00 -0.34 0.00 0.00 43.02 38.69 2giw s PHE 46 CO 0.00 -1.64 1.42 -2.37 -1.46 0.00 0.00 175.22 171.17 2giw n THR 47 N 6.39 2.78 -4.58 0.12 5.66 -1.26 -4.71 114.28 118.67 2giw n THR 47 Ca 0.04 -4.72 0.00 0.00 -3.05 0.00 0.00 64.05 56.32 2giw n THR 47 Cb 0.48 -1.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.00 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 -0.50 -0.68 -1.65 1.09 4.01 -1.26 -4.17 117.16 114.00 2giw n TYR 48 Ca 0.44 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.89 2giw n TYR 48 Cb 0.52 0.12 0.13 0.00 -0.31 0.00 0.00 39.34 39.80 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 1.99 0.24 -0.72 -4.23 -1.26 -4.88 115.64 106.78 2giw s THR 49 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.46 2giw s THR 49 Cb 0.00 -2.83 0.21 0.00 1.34 0.00 0.00 72.50 71.22 2giw s THR 49 CO 0.00 0.00 1.74 -2.24 -0.54 0.00 0.00 174.62 173.58 2giw h ASP 50 N -1.42 0.34 -0.46 3.99 2.03 -1.88 0.10 116.42 119.12 2giw h ASP 50 Ca -0.49 0.10 0.04 0.00 -0.73 0.00 0.00 57.03 55.95 2giw h ASP 50 Cb 1.32 0.06 -0.04 0.00 -0.83 0.00 0.00 39.33 39.84 2giw h ASP 50 CO 0.61 0.15 0.22 0.00 -1.03 0.00 0.00 179.24 179.19 2giw h ALA 51 N 1.52 0.57 0.22 4.15 0.00 -1.86 0.45 119.26 124.31 2giw h ALA 51 Ca 0.40 0.02 -0.33 0.00 0.00 0.00 0.00 54.91 55.00 2giw h ALA 51 Cb 0.56 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.33 2giw h ALA 51 CO -0.37 -0.14 -1.52 -0.97 0.00 0.00 0.00 179.25 176.26 2giw h ASN 52 N 0.44 0.72 -0.82 0.00 -0.73 -1.79 -3.28 115.58 110.12 2giw h ASN 52 Ca 0.20 -0.83 0.14 0.00 1.87 0.00 0.00 56.30 57.68 2giw h ASN 52 Cb 0.12 -0.23 -0.06 0.00 0.27 0.00 0.00 38.32 38.42 2giw h ASN 52 CO -0.15 1.67 0.54 0.50 -0.37 0.00 0.00 177.43 179.62 2giw h LYS 53 N 0.13 0.57 0.00 6.67 3.11 -0.33 0.22 116.57 126.93 2giw h LYS 53 Ca -0.26 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.49 2giw h LYS 53 Cb 2.12 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 33.22 2giw h LYS 53 CO 0.24 0.38 -0.28 -0.97 -2.81 0.00 0.00 179.45 176.00 2giw h ASN 54 N 0.59 0.00 0.36 4.20 -0.73 -0.17 -3.39 115.58 116.43 2giw h ASN 54 Ca 0.40 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.56 2giw h ASN 54 Cb 0.73 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.32 2giw h ASN 54 CO -0.16 0.28 -0.17 0.11 -0.37 0.00 0.00 177.43 177.12 2giw h LYS 55 N 0.00 -0.46 -5.45 6.67 1.79 -1.02 -3.49 116.57 114.61 2giw h LYS 55 Ca -0.00 0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 2giw h LYS 55 Cb 0.66 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2giw h LYS 55 CO 0.04 -0.24 -0.31 0.41 -1.08 0.00 0.00 179.45 178.27 2giw n GLY 56 N -0.98 -1.22 3.12 3.86 0.00 -1.26 -5.00 105.19 103.71 2giw n GLY 56 Ca -0.10 0.83 -0.10 0.00 0.00 0.00 0.00 46.02 46.65 2giw n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2giw s ILE 57 N -2.78 0.49 -0.25 -0.61 -4.36 -1.26 -4.90 121.20 107.53 2giw s ILE 57 Ca 0.12 -1.70 0.02 0.00 -0.26 0.00 0.00 60.65 58.82 2giw s ILE 57 Cb -0.03 -1.38 0.31 0.00 1.25 0.00 0.00 42.46 42.60 2giw s ILE 57 CO 0.77 -0.82 1.37 0.41 0.24 0.00 0.00 174.94 176.92 2giw n THR 58 N 0.33 1.91 -2.31 8.37 -1.04 -1.26 -0.69 114.28 119.58 2giw n THR 58 Ca -0.15 -0.83 0.00 0.00 -2.04 0.00 0.00 64.05 61.03 2giw n THR 58 Cb 0.60 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 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 -3.28 -1.42 5.03 -1.22 -2.25 117.44 114.13 2giw n TRP 59 Ca 0.25 0.00 -0.19 0.00 3.03 0.00 0.00 57.50 60.59 2giw n TRP 59 Cb 0.99 0.00 -0.01 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 -1.84 2.66 0.36 -0.99 -2.85 -1.26 -2.24 119.74 113.58 2giw s LYS 60 Ca 0.00 -1.41 0.23 0.00 -1.00 0.00 0.00 55.97 53.79 2giw s LYS 60 Cb 0.00 -2.57 1.28 0.00 -2.06 0.00 0.00 37.83 34.48 2giw s LYS 60 CO 0.00 -0.28 1.71 1.49 0.10 0.00 0.00 175.35 178.38 2giw h GLU 61 N 0.79 0.00 0.05 1.78 4.81 -1.96 -0.06 114.58 119.99 2giw h GLU 61 Ca -0.40 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.64 2giw h GLU 61 Cb 1.27 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2giw h GLU 61 CO 0.51 0.00 -0.98 0.93 -0.73 0.00 0.00 179.01 178.74 2giw h GLU 62 N 0.00 0.11 0.03 1.92 5.08 -1.99 -3.36 114.58 116.36 2giw h GLU 62 Ca 0.00 -0.19 -0.27 0.00 -1.00 0.00 0.00 59.36 57.90 2giw h GLU 62 Cb 0.07 0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.41 2giw h GLU 62 CO 0.00 1.09 -1.09 1.79 -1.00 0.00 0.00 179.01 179.80 2giw h THR 63 N -0.70 1.29 -0.78 1.13 1.35 -1.68 -3.12 112.91 110.41 2giw h THR 63 Ca -0.23 -2.32 0.05 0.00 -0.55 0.00 0.00 66.41 63.36 2giw h THR 63 Cb 1.42 2.46 -0.06 0.00 -1.73 0.00 0.00 68.15 70.24 2giw h THR 63 CO -0.03 0.71 0.47 -0.07 -0.25 0.00 0.00 175.52 176.35 2giw h LEU 64 N 0.35 0.74 -0.36 3.87 4.07 -1.26 -0.79 115.31 121.93 2giw h LEU 64 Ca -0.14 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 2giw h LEU 64 Cb 1.74 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 43.33 2giw h LEU 64 CO 0.21 0.48 0.22 0.24 -1.08 0.00 0.00 178.44 178.52 2giw h MET 65 N 0.88 0.48 -0.34 1.13 2.86 -1.70 0.26 114.93 118.50 2giw h MET 65 Ca 0.33 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2giw h MET 65 Cb 0.14 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2giw h MET 65 CO -0.16 0.35 0.20 1.49 1.06 0.00 0.00 176.91 179.86 2giw h GLU 66 N 0.47 0.47 0.69 1.72 4.81 -1.35 0.20 114.58 121.59 2giw h GLU 66 Ca 0.13 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2giw h GLU 66 Cb -0.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2giw h GLU 66 CO -0.03 0.36 -0.37 -0.92 -0.73 0.00 0.00 179.01 177.32 2giw h TYR 67 N 0.44 -0.98 -0.60 0.92 3.20 -0.95 -0.63 116.97 118.37 2giw h TYR 67 Ca 0.12 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.05 2giw h TYR 67 Cb 0.02 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 2giw h TYR 67 CO -0.04 -0.58 0.40 -0.07 -1.64 0.00 0.00 178.16 176.23 2giw h LEU 68 N -0.98 0.45 -0.72 2.82 -0.00 -0.92 0.21 115.31 116.17 2giw h LEU 68 Ca -0.09 0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 57.70 2giw h LEU 68 Cb 0.77 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.31 2giw h LEU 68 CO 0.13 0.28 0.01 -0.08 -0.00 0.00 0.00 178.44 178.78 2giw h GLU 69 N 0.51 0.99 -0.45 1.13 4.81 -0.80 -3.42 114.58 117.36 2giw h GLU 69 Ca 0.27 -0.30 -0.28 0.00 -0.13 0.00 0.00 59.36 58.92 2giw h GLU 69 Cb 0.39 -0.10 -0.19 0.00 0.63 0.00 0.00 28.75 29.48 2giw h GLU 69 CO -0.08 0.97 -0.61 -1.71 -0.73 0.00 0.00 179.01 176.86 2giw n ASN 70 N -4.19 -2.35 -0.08 1.04 2.85 -0.09 -4.59 115.26 107.84 2giw n ASN 70 Ca 0.03 -3.16 -0.13 0.00 -0.11 0.00 0.00 54.58 51.21 2giw n ASN 70 Cb 0.33 1.36 -0.05 0.00 1.24 0.00 0.00 39.78 42.66 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 4.08 0.57 0.00 1.20 0.13 -0.89 0.27 132.00 137.35 2giw h PRO 71 Ca -0.09 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2giw h PRO 71 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2giw h PRO 71 CO 0.34 0.87 0.00 1.63 -0.23 0.00 0.00 178.00 180.61 2giw n LYS 72 N -4.39 0.01 -0.11 0.86 5.02 -1.26 -1.27 118.16 117.02 2giw n LYS 72 Ca -0.04 0.37 -0.20 0.00 -2.02 0.00 0.00 58.31 56.42 2giw n LYS 72 Cb 0.41 -1.52 -0.09 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.53 0.55 -0.24 1.97 0.00 -0.14 -4.35 118.16 114.41 2giw n LYS 73 Ca 0.02 0.46 0.05 0.00 0.00 0.00 0.00 58.31 58.83 2giw n LYS 73 Cb 0.09 -1.65 0.17 0.00 0.00 0.00 0.00 35.03 33.65 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 0.33 -3.23 5.64 3.20 -0.78 -3.37 116.97 117.76 2giw h TYR 74 Ca -0.35 0.04 -0.67 0.00 3.14 0.00 0.00 58.73 60.89 2giw h TYR 74 Cb 1.22 -0.03 -0.33 0.00 1.54 0.00 0.00 36.73 39.12 2giw h TYR 74 CO -0.05 -0.04 -0.82 0.42 -1.64 0.00 0.00 178.16 176.04 2giw s ILE 75 N -6.05 2.43 -1.40 1.81 1.01 -0.40 -5.04 121.20 113.56 2giw s ILE 75 Ca -0.13 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.49 2giw s ILE 75 Cb 0.20 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 2giw s ILE 75 CO 0.75 0.44 2.41 -0.81 0.00 0.00 0.00 174.94 177.74 2giw n PRO 76 N 4.65 2.91 0.00 2.79 -0.04 -1.26 -3.77 135.00 140.28 2giw n PRO 76 Ca -0.19 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 2giw n PRO 76 Cb 0.49 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 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 3.97 0.19 3.75 0.55 0.00 -1.26 -4.77 105.19 107.62 2giw n GLY 77 Ca 0.59 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 4.70 -0.43 2.61 -1.32 -1.25 -4.52 115.64 115.44 2giw s THR 78 Ca 0.00 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 2giw s THR 78 Cb 0.00 -3.03 0.39 0.00 -1.51 0.00 0.00 72.50 68.35 2giw s THR 78 CO 0.00 0.57 1.90 0.29 -2.21 0.00 0.00 174.62 175.16 2giw n LYS 79 N 1.93 2.12 0.12 7.08 5.02 -1.26 -4.50 118.16 128.68 2giw n LYS 79 Ca -0.18 -2.34 0.04 0.00 -2.02 0.00 0.00 58.31 53.82 2giw n LYS 79 Cb 0.54 -1.92 0.02 0.00 -0.02 0.00 0.00 35.03 33.65 2giw n LYS 79 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2giw h MET 80 N 1.36 0.00 -6.04 1.97 4.05 -1.95 -3.47 114.93 110.85 2giw h MET 80 Ca 0.46 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.61 2giw h MET 80 Cb 1.43 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 32.25 2giw h MET 80 CO 1.04 0.32 -0.61 -0.89 0.23 0.00 0.00 176.91 177.00 2giw n ILE 81 N -3.07 -6.85 -3.71 1.77 2.08 -1.26 -5.02 119.36 103.30 2giw n ILE 81 Ca -0.00 -0.35 -0.10 0.00 0.56 0.00 0.00 62.75 62.86 2giw n ILE 81 Cb 0.71 -4.98 -0.04 0.00 -0.75 0.00 0.00 39.64 34.58 2giw n ILE 81 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 2giw s PHE 82 N -3.11 -0.15 0.00 1.39 5.36 -1.26 -5.11 117.98 115.10 2giw s PHE 82 Ca 0.11 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 55.90 2giw s PHE 82 Cb -0.04 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 2giw s PHE 82 CO 0.82 -0.88 0.00 0.00 -1.46 0.00 0.00 175.22 173.70 2giw n ALA 83 N -0.33 0.29 -1.00 11.12 0.00 -1.26 -4.51 120.51 124.82 2giw n ALA 83 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2giw n ALA 83 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2giw n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2giw n GLY 84 N -0.76 -1.10 2.04 0.00 0.00 -1.26 -4.09 105.19 100.03 2giw n GLY 84 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.35 0.00 0.00 -0.61 0.13 -1.26 -4.88 119.36 112.39 2giw n ILE 85 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 2giw n ILE 85 Cb 0.00 -0.31 0.00 0.00 -0.84 0.00 0.00 39.64 38.49 2giw n ILE 85 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 2giw n LYS 86 N -3.28 0.00 -2.68 9.51 4.81 -1.26 -4.98 118.16 120.29 2giw n LYS 86 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 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 -0.91 0.19 0.00 1.64 4.81 -1.26 -5.03 118.16 117.60 2giw n LYS 87 Ca 0.00 -0.82 0.00 0.00 -0.87 0.00 0.00 58.31 56.62 2giw n LYS 87 Cb 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 35.03 34.70 2giw n LYS 87 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2giw n LYS 88 N 1.62 0.00 -0.36 1.64 5.02 -1.26 -4.52 118.16 120.30 2giw n LYS 88 Ca 0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.22 2giw n LYS 88 Cb 0.69 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.63 2giw n LYS 88 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2giw h THR 89 N 0.00 0.01 -0.84 -0.18 2.02 -2.00 0.97 112.91 112.89 2giw h THR 89 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2giw h THR 89 Cb 0.00 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.36 2giw h THR 89 CO 0.00 0.00 0.54 -0.08 0.37 0.00 0.00 175.52 176.35 2giw h GLU 90 N -0.07 0.99 -0.08 6.66 4.81 -1.95 0.14 114.58 125.08 2giw h GLU 90 Ca 0.18 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2giw h GLU 90 Cb 0.48 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2giw h GLU 90 CO -0.88 0.66 0.22 -0.09 -0.73 0.00 0.00 179.01 178.19 2giw h ARG 91 N 1.02 0.00 0.01 1.92 2.43 -1.18 0.02 114.38 118.60 2giw h ARG 91 Ca 0.35 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 59.10 2giw h ARG 91 Cb 0.06 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 2giw h ARG 91 CO -0.14 0.00 -2.32 -1.91 -1.51 0.00 0.00 179.97 174.10 2giw n GLU 92 N -3.24 0.60 0.22 0.20 4.07 -0.21 -4.16 120.64 118.13 2giw n GLU 92 Ca -0.01 0.29 -0.17 0.00 -0.06 0.00 0.00 57.16 57.22 2giw n GLU 92 Cb 0.30 -1.54 -0.09 0.00 -0.06 0.00 0.00 31.44 30.05 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 -0.79 -1.27 -0.48 4.31 3.32 -0.10 0.11 116.42 121.53 2giw h ASP 93 Ca -0.62 0.12 0.10 0.00 0.02 0.00 0.00 57.03 56.64 2giw h ASP 93 Cb 1.63 0.44 -0.10 0.00 0.22 0.00 0.00 39.33 41.53 2giw h ASP 93 CO -0.32 -0.58 -0.16 -0.07 -1.72 0.00 0.00 179.24 176.40 2giw h LEU 94 N -0.84 -0.57 0.00 1.55 -0.00 -1.26 0.52 115.31 114.71 2giw h LEU 94 Ca -0.03 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 2giw h LEU 94 Cb 0.77 0.34 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 2giw h LEU 94 CO -0.13 -0.20 0.00 -0.38 -0.00 0.00 0.00 178.44 177.74 2giw n ILE 95 N -5.38 0.00 -0.13 1.22 2.08 -0.93 -1.14 119.36 115.09 2giw n ILE 95 Ca 0.04 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.08 2giw n ILE 95 Cb 0.28 -0.42 -0.11 0.00 -0.75 0.00 0.00 39.64 38.65 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 -0.87 1.10 0.23 -1.39 0.00 0.35 -4.06 120.51 115.87 2giw n ALA 96 Ca 0.16 -0.94 -0.17 0.00 0.00 0.00 0.00 53.44 52.50 2giw n ALA 96 Cb 0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.90 -1.42 0.00 0.00 3.20 -0.75 -2.79 116.97 114.30 2giw h TYR 97 Ca -0.60 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.28 2giw h TYR 97 Cb 1.57 0.57 -0.00 0.00 1.54 0.00 0.00 36.73 40.41 2giw h TYR 97 CO -0.03 -0.64 -0.04 -0.07 -1.64 0.00 0.00 178.16 175.75 2giw h LEU 98 N -0.91 0.00 -0.98 2.82 3.38 -1.36 0.20 115.31 118.45 2giw h LEU 98 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2giw h LEU 98 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2giw h LEU 98 CO -0.14 0.04 0.00 0.50 0.09 0.00 0.00 178.44 178.93 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.64 -1.64 -1.36 116.57 118.34 2giw h LYS 99 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2giw h LYS 99 Cb 0.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2giw h LYS 99 CO 0.00 0.00 -1.32 0.36 -2.27 0.00 0.00 179.45 176.22 2giw n LYS 100 N -2.37 1.78 -0.09 1.90 -0.00 0.12 -4.62 118.16 114.89 2giw n LYS 100 Ca 0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.31 58.29 2giw n LYS 100 Cb 0.20 -1.14 0.26 0.00 -0.00 0.00 0.00 35.03 34.35 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 0.39 1.36 -1.40 0.58 0.00 -0.34 0.27 119.26 120.11 2giw h ALA 101 Ca -0.08 -0.15 0.43 0.00 0.00 0.00 0.00 54.91 55.11 2giw h ALA 101 Cb 0.85 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 2giw h ALA 101 CO 0.00 0.47 0.94 0.00 0.00 0.00 0.00 179.25 180.67 2giw h THR 102 N 0.73 0.18 -2.02 0.00 1.03 -1.45 -2.96 112.91 108.42 2giw h THR 102 Ca 0.17 -0.03 -0.52 0.00 -0.01 0.00 0.00 66.41 66.02 2giw h THR 102 Cb 0.19 0.08 -0.40 0.00 -1.07 0.00 0.00 68.15 66.95 2giw h THR 102 CO -0.01 0.02 -1.12 -3.20 -0.01 0.00 0.00 175.52 171.20 2giw n ASN 103 N -4.48 0.84 -0.09 0.00 5.15 0.04 -4.62 115.26 112.10 2giw n ASN 103 Ca 0.36 -2.93 0.01 0.00 -0.60 0.00 0.00 54.58 51.42 2giw n ASN 103 Cb 1.47 -0.63 0.01 0.00 -0.53 0.00 0.00 39.78 40.10 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82