#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 1.11 0.21 1.61 -1.08 -1.26 -4.75 116.67 112.50 2giw s ASP 2 Ca 0.00 -1.17 -0.01 0.00 -0.52 0.00 0.00 52.55 50.85 2giw s ASP 2 Cb 0.00 0.14 0.18 0.00 -1.46 0.00 0.00 42.92 41.77 2giw s ASP 2 CO 0.00 -0.58 1.55 1.62 0.52 0.00 0.00 175.17 178.28 2giw h VAL 3 N 2.73 1.32 0.57 1.11 3.04 -1.81 0.25 116.25 123.46 2giw h VAL 3 Ca -0.36 -1.73 -0.03 0.00 -1.01 0.00 0.00 66.70 63.56 2giw h VAL 3 Cb 1.20 1.73 0.01 0.00 -2.01 0.00 0.00 31.29 32.21 2giw h VAL 3 CO 0.62 0.54 -0.27 -0.33 -1.01 0.00 0.00 177.57 177.12 2giw h GLU 4 N 0.40 -0.73 -0.11 4.17 5.08 -1.97 0.20 114.58 121.62 2giw h GLU 4 Ca 0.02 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2giw h GLU 4 Cb 1.02 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2giw h GLU 4 CO 0.09 -0.49 0.06 0.87 -1.00 0.00 0.00 179.01 178.54 2giw h LYS 5 N -0.77 0.15 -0.17 2.33 1.79 -1.94 -3.16 116.57 114.80 2giw h LYS 5 Ca -0.08 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.43 2giw h LYS 5 Cb 0.59 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.14 2giw h LYS 5 CO 0.13 0.19 -0.33 0.78 -1.08 0.00 0.00 179.45 179.14 2giw h GLY 6 N 0.08 -0.43 -0.49 3.86 0.00 -0.15 -0.22 103.07 105.72 2giw h GLY 6 Ca 0.04 0.41 0.15 0.00 0.00 0.00 0.00 47.33 47.93 2giw h GLY 6 CO -0.01 -0.22 -0.17 0.50 0.00 0.00 0.00 176.54 176.65 2giw h LYS 7 N -0.38 0.01 -0.01 4.80 1.79 -0.68 0.23 116.57 122.33 2giw h LYS 7 Ca 0.11 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 2giw h LYS 7 Cb 0.55 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2giw h LYS 7 CO -0.38 0.00 -0.03 -0.22 -1.08 0.00 0.00 179.45 177.74 2giw h LYS 8 N 0.01 0.05 -0.37 3.15 3.11 -1.14 0.60 116.57 121.97 2giw h LYS 8 Ca 0.37 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 58.10 2giw h LYS 8 Cb 0.57 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.79 2giw h LYS 8 CO -0.76 0.64 -0.06 0.82 -2.81 0.00 0.00 179.45 177.27 2giw h ILE 9 N -0.54 1.27 -0.01 2.00 2.04 -0.87 -0.64 117.51 120.75 2giw h ILE 9 Ca -0.00 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.75 2giw h ILE 9 Cb 0.64 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2giw h ILE 9 CO 0.01 0.37 -0.03 0.15 0.00 0.00 0.00 178.15 178.64 2giw h PHE 10 N 0.50 -0.10 -0.86 1.37 3.57 -0.54 -2.43 116.94 118.45 2giw h PHE 10 Ca 0.10 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.79 2giw h PHE 10 Cb 0.56 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 2giw h PHE 10 CO 0.05 -0.03 0.57 0.28 -2.23 0.00 0.00 178.31 176.94 2giw h VAL 11 N -0.03 0.71 -0.70 1.41 2.07 -0.72 0.63 116.25 119.62 2giw h VAL 11 Ca 0.00 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.48 2giw h VAL 11 Cb 0.04 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.02 2giw h VAL 11 CO -0.03 0.07 0.34 -0.61 0.02 0.00 0.00 177.57 177.37 2giw h GLN 12 N 0.39 0.57 0.00 1.57 -0.00 -0.65 -3.31 115.11 113.68 2giw h GLN 12 Ca 0.44 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 59.05 2giw h GLN 12 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.44 2giw h GLN 12 CO -0.15 0.38 0.00 0.36 0.00 0.00 0.00 178.83 179.42 2giw n LYS 13 N -4.87 0.04 -0.01 1.69 2.85 0.53 -4.87 118.16 113.52 2giw n LYS 13 Ca 0.11 -0.45 -0.02 0.00 -1.05 0.00 0.00 58.31 56.90 2giw n LYS 13 Cb 0.27 -0.75 -0.01 0.00 -0.65 0.00 0.00 35.03 33.89 2giw n LYS 13 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2giw h ALA 15 N -0.06 2.16 -1.06 0.00 0.00 -1.64 0.11 119.26 118.78 2giw h ALA 15 Ca -0.04 -0.01 0.38 0.00 0.00 0.00 0.00 54.91 55.24 2giw h ALA 15 Cb 1.04 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.69 2giw h ALA 15 CO -0.03 -0.37 0.61 -0.56 0.00 0.00 0.00 179.25 178.90 2giw h GLN 16 N 0.00 0.15 0.00 0.00 3.07 -1.87 -2.19 115.11 114.28 2giw h GLN 16 Ca 0.14 -0.01 -0.37 0.00 0.09 0.00 0.00 58.65 58.50 2giw h GLN 16 Cb 0.59 -0.03 -0.07 0.00 0.08 0.00 0.00 27.48 28.05 2giw h GLN 16 CO -0.00 0.10 -2.39 0.00 0.09 0.00 0.00 178.83 176.63 2giw n HIS 18 N -3.16 2.52 -1.35 0.00 8.25 -0.01 -2.13 115.22 119.34 2giw n HIS 18 Ca -0.42 -4.05 -0.38 0.00 -0.26 0.00 0.00 57.72 52.61 2giw n HIS 18 Cb 0.98 -0.47 -0.02 0.00 1.12 0.00 0.00 29.99 31.60 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 1.53 3.68 -1.34 1.59 -1.04 -1.10 -4.09 114.28 113.50 2giw n THR 19 Ca 0.25 -2.51 -0.39 0.00 -2.04 0.00 0.00 64.05 59.36 2giw n THR 19 Cb 0.41 -2.54 -0.06 0.00 -1.82 0.00 0.00 70.33 66.32 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 4.26 1.71 0.00 12.58 3.14 -1.26 -2.73 118.33 136.04 2giw n VAL 20 Ca 0.65 -1.57 0.00 0.00 -2.96 0.00 0.00 64.34 60.45 2giw n VAL 20 Cb 0.28 -2.26 0.00 0.00 -1.06 0.00 0.00 33.84 30.80 2giw n VAL 20 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2giw n GLU 21 N 7.40 0.00 -4.32 1.45 0.00 -1.26 -4.96 120.64 118.95 2giw n GLU 21 Ca 0.48 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 57.46 2giw n GLU 21 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.77 2giw n GLU 21 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2giw s LYS 22 N -0.64 1.55 -0.81 3.44 1.02 -1.10 -5.05 119.74 118.15 2giw s LYS 22 Ca 0.00 -1.88 -0.07 0.00 0.02 0.00 0.00 55.97 54.05 2giw s LYS 22 Cb 0.00 -0.08 -0.13 0.00 -0.52 0.00 0.00 37.83 37.10 2giw s LYS 22 CO 0.00 -0.43 2.78 0.41 -0.92 0.00 0.00 175.35 177.19 2giw n GLY 23 N -0.55 3.32 0.28 -3.33 0.00 -1.26 -4.48 105.19 99.17 2giw n GLY 23 Ca 0.01 -1.13 0.17 0.00 0.00 0.00 0.00 46.02 45.07 2giw n GLY 23 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2giw h GLY 24 N 6.62 0.00 -1.23 -0.02 0.00 -1.97 -3.49 103.07 102.97 2giw h GLY 24 Ca 0.50 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.96 2giw h GLY 24 CO 1.11 0.00 -0.32 1.17 0.00 0.00 0.00 176.54 178.49 2giw n LYS 25 N -3.10 -1.14 0.15 4.80 4.81 -1.26 -4.80 118.16 117.62 2giw n LYS 25 Ca 0.01 0.85 -0.08 0.00 -0.87 0.00 0.00 58.31 58.21 2giw n LYS 25 Cb 0.31 -1.37 -0.04 0.00 0.02 0.00 0.00 35.03 33.94 2giw n LYS 25 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2giw h HIS 26 N -0.51 -0.43 0.00 5.64 3.86 -1.86 -3.42 115.15 118.43 2giw h HIS 26 Ca -0.03 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2giw h HIS 26 Cb 0.50 0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2giw h HIS 26 CO -0.07 -0.21 0.00 1.63 0.86 0.00 0.00 177.93 180.14 2giw n LYS 27 N -5.09 0.00 0.00 2.45 5.02 -1.26 -0.81 118.16 118.47 2giw n LYS 27 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2giw n LYS 27 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 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 0.36 -3.66 -0.18 -1.04 -1.26 -4.99 114.28 103.51 2giw n THR 28 Ca 0.00 -0.60 -0.05 0.00 -2.04 0.00 0.00 64.05 61.36 2giw n THR 28 Cb 0.00 0.92 -0.07 0.00 -1.82 0.00 0.00 70.33 69.36 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 -0.36 -0.56 0.08 3.41 0.00 0.01 -4.87 107.32 105.02 2giw s GLY 29 Ca 0.00 2.01 -0.31 0.00 0.00 0.00 0.00 44.72 46.43 2giw s GLY 29 CO 0.00 2.63 1.81 2.56 0.00 0.00 0.00 173.10 180.10 2giw s PRO 30 N 2.48 4.15 -0.31 2.90 0.04 -1.26 -4.34 135.00 138.67 2giw s PRO 30 Ca -0.06 2.51 -0.39 0.00 0.04 0.00 0.00 61.00 63.10 2giw s PRO 30 Cb -0.11 -3.77 -0.15 0.00 0.04 0.00 0.00 34.50 30.52 2giw s PRO 30 CO -0.17 -0.85 1.90 0.27 0.04 0.00 0.00 177.00 178.19 2giw n ASN 31 N 6.24 2.27 0.32 6.66 6.94 -1.26 -4.85 115.26 131.58 2giw n ASN 31 Ca 0.18 0.87 -0.13 0.00 -0.02 0.00 0.00 54.58 55.48 2giw n ASN 31 Cb 0.40 -1.17 -0.06 0.00 -2.36 0.00 0.00 39.78 36.59 2giw n ASN 31 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2giw h LEU 32 N 8.78 -0.72 -3.58 -4.53 3.38 -1.90 -3.47 115.31 113.27 2giw h LEU 32 Ca -0.39 0.02 -0.39 0.00 0.09 0.00 0.00 57.88 57.21 2giw h LEU 32 Cb 1.32 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2giw h LEU 32 CO 0.99 -0.38 -0.74 1.57 0.09 0.00 0.00 178.44 179.97 2giw n HIS 33 N -5.07 -1.14 0.00 1.13 -0.00 -1.26 -4.43 115.22 104.45 2giw n HIS 33 Ca -0.11 0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.33 2giw n HIS 33 Cb 0.34 -1.91 0.00 0.00 -0.12 0.00 0.00 29.99 28.30 2giw n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2giw n GLY 34 N -1.57 0.80 0.47 1.57 0.00 -1.26 -5.00 105.19 100.21 2giw n GLY 34 Ca -0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 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 0.98 -4.68 0.99 7.99 -1.26 -4.70 117.00 116.32 2giw n LEU 35 Ca 0.00 0.15 -0.42 0.00 -0.01 0.00 0.00 56.01 55.73 2giw n LEU 35 Cb 0.00 -0.46 -0.03 0.00 -0.11 0.00 0.00 43.42 42.82 2giw n LEU 35 CO 0.00 -0.49 1.33 -0.36 -1.51 0.00 0.00 177.39 176.36 2giw s PHE 36 N -1.94 2.34 0.00 -1.77 0.40 -1.24 -0.54 117.98 115.23 2giw s PHE 36 Ca -0.10 0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 2giw s PHE 36 Cb 0.01 -3.94 0.00 0.00 0.51 0.00 0.00 43.02 39.60 2giw s PHE 36 CO 0.15 -3.81 0.00 0.41 0.70 0.00 0.00 175.22 172.67 2giw n GLY 37 N 4.01 3.11 3.56 4.36 0.00 -0.47 -4.99 105.19 114.77 2giw n GLY 37 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2giw n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2giw s ARG 38 N -0.29 3.58 0.13 1.61 3.52 0.29 -4.99 118.95 122.80 2giw s ARG 38 Ca 0.00 0.02 -0.31 0.00 -0.13 0.00 0.00 55.73 55.31 2giw s ARG 38 Cb 0.00 -3.86 -0.10 0.00 -1.56 0.00 0.00 34.95 29.43 2giw s ARG 38 CO 0.00 -0.89 1.66 -1.59 -0.81 0.00 0.00 175.30 173.67 2giw s LYS 39 N 2.96 4.18 0.00 5.12 0.00 -1.26 -4.31 119.74 126.44 2giw s LYS 39 Ca 0.27 2.42 0.00 0.00 0.00 0.00 0.00 55.97 58.66 2giw s LYS 39 Cb -0.14 -3.36 0.00 0.00 0.00 0.00 0.00 37.83 34.33 2giw s LYS 39 CO 0.18 -0.71 0.00 -2.37 0.00 0.00 0.00 175.35 172.45 2giw n THR 40 N 4.35 0.00 -1.47 3.79 5.66 -0.02 -4.69 114.28 121.89 2giw n THR 40 Ca 0.15 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.06 2giw n THR 40 Cb 0.39 -1.47 -0.03 0.00 -1.55 0.00 0.00 70.33 67.66 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 0.83 3.12 1.09 0.00 -1.26 -4.56 105.19 109.41 2giw n GLY 41 Ca 0.00 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.16 0.31 0.04 1.61 0.74 -1.26 -4.79 119.66 113.15 2giw s GLN 42 Ca 0.00 0.22 0.04 0.00 0.05 0.00 0.00 55.36 55.67 2giw s GLN 42 Cb 0.00 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 2giw s GLN 42 CO 0.00 -0.56 -0.05 0.00 -0.55 0.00 0.00 175.29 174.13 2giw s ALA 43 N 2.75 3.10 -1.04 1.58 0.00 -1.26 -5.04 121.76 121.86 2giw s ALA 43 Ca 0.20 -1.07 -0.19 0.00 0.00 0.00 0.00 51.96 50.90 2giw s ALA 43 Cb -0.04 -1.13 -0.08 0.00 0.00 0.00 0.00 23.12 21.87 2giw s ALA 43 CO -0.22 0.64 2.05 -0.35 0.00 0.00 0.00 175.76 177.89 2giw n PRO 44 N 1.15 2.04 0.00 0.00 -0.04 -1.26 -4.27 135.00 132.61 2giw n PRO 44 Ca -0.14 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 2giw n PRO 44 Cb 0.52 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 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 4.34 0.85 3.20 0.55 0.00 -1.26 -4.98 105.19 107.89 2giw n GLY 45 Ca 0.51 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 3.51 -0.62 1.61 7.35 -1.26 -4.77 117.46 123.28 2giw n PHE 46 Ca 0.00 -2.51 -0.04 0.00 -0.76 0.00 0.00 57.45 54.14 2giw n PHE 46 Cb 0.00 -2.45 -0.05 0.00 0.35 0.00 0.00 39.48 37.33 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 6.08 2.18 -4.83 -2.13 5.66 -1.26 -4.80 114.28 115.18 2giw n THR 47 Ca 0.50 -0.76 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 2giw n THR 47 Cb 0.43 -1.63 0.00 0.00 -1.55 0.00 0.00 70.33 67.58 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 1.84 -1.29 -1.08 1.09 4.01 -1.26 -4.24 117.16 116.22 2giw n TYR 48 Ca 0.13 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.58 2giw n TYR 48 Cb 0.59 0.20 0.20 0.00 -0.31 0.00 0.00 39.34 40.02 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 1.95 0.26 -0.72 -4.23 -1.26 -4.83 115.64 106.80 2giw s THR 49 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 2giw s THR 49 Cb 0.00 -2.44 0.23 0.00 1.34 0.00 0.00 72.50 71.63 2giw s THR 49 CO 0.00 0.00 1.82 -2.24 -0.54 0.00 0.00 174.62 173.66 2giw h ASP 50 N -2.10 0.75 -0.14 3.99 2.03 -1.95 0.13 116.42 119.13 2giw h ASP 50 Ca -0.55 0.05 0.01 0.00 -0.73 0.00 0.00 57.03 55.81 2giw h ASP 50 Cb 1.33 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 39.72 2giw h ASP 50 CO 0.54 0.42 0.06 0.00 -1.03 0.00 0.00 179.24 179.23 2giw h ALA 51 N 1.48 0.16 0.13 4.15 0.00 -1.93 0.43 119.26 123.68 2giw h ALA 51 Ca 0.43 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 55.07 2giw h ALA 51 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2giw h ALA 51 CO -0.25 -0.38 -1.26 -0.97 0.00 0.00 0.00 179.25 176.39 2giw h ASN 52 N 0.14 0.43 -0.79 0.00 -0.73 -1.86 -3.26 115.58 109.50 2giw h ASN 52 Ca 0.06 -0.46 -0.00 0.00 1.87 0.00 0.00 56.30 57.76 2giw h ASN 52 Cb 0.02 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.43 2giw h ASN 52 CO -0.04 1.36 0.50 0.50 -0.37 0.00 0.00 177.43 179.38 2giw h LYS 53 N 0.08 1.07 0.00 6.67 3.11 -0.45 0.64 116.57 127.68 2giw h LYS 53 Ca -0.14 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 2giw h LYS 53 Cb 1.98 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.98 2giw h LYS 53 CO 0.20 0.74 0.00 -1.71 -2.81 0.00 0.00 179.45 175.87 2giw n ASN 54 N -4.39 0.23 -0.15 4.20 5.15 0.15 -4.03 115.26 116.42 2giw n ASN 54 Ca 0.09 0.56 -0.10 0.00 -0.60 0.00 0.00 54.58 54.53 2giw n ASN 54 Cb 0.05 -0.61 -0.01 0.00 -0.53 0.00 0.00 39.78 38.68 2giw n ASN 54 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 2giw h LYS 55 N 0.00 0.74 -6.14 1.20 1.63 -0.90 -3.47 116.57 109.63 2giw h LYS 55 Ca 0.00 -0.24 -0.42 0.00 -0.85 0.00 0.00 60.65 59.14 2giw h LYS 55 Cb 0.26 -0.07 0.05 0.00 -0.60 0.00 0.00 32.23 31.88 2giw h LYS 55 CO 0.00 0.82 -0.86 0.41 -3.45 0.00 0.00 179.45 176.37 2giw n GLY 56 N -0.37 -0.45 0.26 5.01 0.00 -1.26 -5.01 105.19 103.37 2giw n GLY 56 Ca -0.00 0.21 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.21 0.00 -0.82 -0.61 -5.35 -1.26 -4.91 119.36 102.19 2giw n ILE 57 Ca -0.25 -0.15 0.07 0.00 -0.27 0.00 0.00 62.75 62.14 2giw n ILE 57 Cb 0.66 -0.34 0.10 0.00 -1.74 0.00 0.00 39.64 38.33 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 -0.46 1.62 -3.96 7.28 -1.04 -1.26 -0.84 114.28 115.62 2giw n THR 58 Ca -0.00 -1.89 -0.29 0.00 -2.04 0.00 0.00 64.05 59.82 2giw n THR 58 Cb 0.04 -0.03 -0.04 0.00 -1.82 0.00 0.00 70.33 68.48 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 -1.17 -1.01 -1.83 -1.42 5.03 -1.26 -1.36 117.44 114.42 2giw n TRP 59 Ca 0.12 0.29 -0.29 0.00 3.03 0.00 0.00 57.50 60.65 2giw n TRP 59 Cb 0.54 -2.16 0.11 0.00 -1.03 0.00 0.00 31.31 28.78 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 -6.64 1.58 0.00 -0.99 0.00 -1.26 -3.60 119.74 108.84 2giw s LYS 60 Ca 0.16 0.07 -0.02 0.00 0.00 0.00 0.00 55.97 56.17 2giw s LYS 60 Cb -0.09 -1.91 -0.10 0.00 0.00 0.00 0.00 37.83 35.74 2giw s LYS 60 CO 0.77 -1.85 2.08 -0.85 0.00 0.00 0.00 175.35 175.50 2giw n GLU 61 N -3.48 1.07 0.12 1.78 0.28 -1.26 -1.95 120.64 117.19 2giw n GLU 61 Ca 0.09 -0.35 0.00 0.00 -0.16 0.00 0.00 57.16 56.74 2giw n GLU 61 Cb 0.60 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.98 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 2.13 0.00 -0.06 3.44 1.02 -1.26 -4.78 120.64 121.13 2giw n GLU 62 Ca 0.15 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 2giw n GLU 62 Cb 0.51 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.96 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 1.29 -0.85 2.62 1.35 -1.90 -1.36 112.91 114.06 2giw h THR 63 Ca 0.00 -1.60 0.07 0.00 -0.55 0.00 0.00 66.41 64.32 2giw h THR 63 Cb 0.00 1.50 -0.06 0.00 -1.73 0.00 0.00 68.15 67.86 2giw h THR 63 CO 0.00 0.52 0.52 -0.07 -0.25 0.00 0.00 175.52 176.24 2giw h LEU 64 N 0.61 0.81 -0.05 3.87 4.07 -1.69 -0.80 115.31 122.14 2giw h LEU 64 Ca 0.05 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 2giw h LEU 64 Cb 0.98 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.57 2giw h LEU 64 CO 0.09 0.51 -0.01 -0.03 -1.08 0.00 0.00 178.44 177.92 2giw h MET 65 N 0.94 0.10 -0.02 1.13 4.05 -1.57 -0.28 114.93 119.28 2giw h MET 65 Ca 0.38 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.77 2giw h MET 65 Cb 0.20 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 2giw h MET 65 CO -0.18 0.42 -0.06 1.49 0.23 0.00 0.00 176.91 178.81 2giw h GLU 66 N -0.23 -0.09 0.25 0.39 4.81 -1.16 0.06 114.58 118.61 2giw h GLU 66 Ca 0.01 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2giw h GLU 66 Cb 0.38 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 2giw h GLU 66 CO 0.00 -0.06 -0.49 -0.92 -0.73 0.00 0.00 179.01 176.81 2giw h TYR 67 N -0.09 -1.39 -0.26 0.92 3.20 -1.09 -1.06 116.97 117.19 2giw h TYR 67 Ca 0.03 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 2giw h TYR 67 Cb 0.14 0.58 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 2giw h TYR 67 CO -0.14 -0.60 0.01 -0.07 -1.64 0.00 0.00 178.16 175.72 2giw h LEU 68 N -0.82 0.36 -0.22 2.82 -0.00 -0.96 0.79 115.31 117.28 2giw h LEU 68 Ca -0.02 -0.05 0.02 0.00 -0.00 0.00 0.00 57.88 57.83 2giw h LEU 68 Cb 0.78 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.32 2giw h LEU 68 CO -0.20 0.41 0.08 -0.08 -0.00 0.00 0.00 178.44 178.65 2giw h GLU 69 N 0.38 0.18 -0.61 1.13 4.81 -0.59 -3.41 114.58 116.47 2giw h GLU 69 Ca 0.09 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.03 2giw h GLU 69 Cb 0.24 -0.04 -0.19 0.00 0.63 0.00 0.00 28.75 29.38 2giw h GLU 69 CO 0.00 0.12 -0.61 -1.71 -0.73 0.00 0.00 179.01 176.08 2giw n ASN 70 N -5.04 -2.44 -0.17 1.04 2.85 -0.44 -3.21 115.26 107.85 2giw n ASN 70 Ca -0.02 -3.10 -0.09 0.00 -0.11 0.00 0.00 54.58 51.26 2giw n ASN 70 Cb 0.08 1.34 0.03 0.00 1.24 0.00 0.00 39.78 42.47 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 4.27 0.99 0.00 1.20 0.13 -1.09 0.15 132.00 137.65 2giw h PRO 71 Ca -0.06 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2giw h PRO 71 Cb 1.02 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2giw h PRO 71 CO 0.29 1.04 0.00 1.57 -0.23 0.00 0.00 178.00 180.67 2giw h LYS 72 N 0.88 0.00 0.01 0.86 2.10 -1.82 -0.59 116.57 118.01 2giw h LYS 72 Ca 0.14 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.48 2giw h LYS 72 Cb 0.67 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.95 2giw h LYS 72 CO 0.05 0.00 -1.70 1.17 -2.00 0.00 0.00 179.45 176.97 2giw n LYS 73 N -2.81 0.58 -0.19 0.07 0.00 0.35 -4.18 118.16 111.98 2giw n LYS 73 Ca -0.02 0.46 -0.01 0.00 0.00 0.00 0.00 58.31 58.75 2giw n LYS 73 Cb 0.09 -1.67 0.07 0.00 0.00 0.00 0.00 35.03 33.52 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 -0.94 -0.18 -3.27 5.64 3.20 -0.82 -3.40 116.97 117.21 2giw h TYR 74 Ca -0.46 0.05 -0.64 0.00 3.14 0.00 0.00 58.73 60.81 2giw h TYR 74 Cb 1.44 0.17 -0.34 0.00 1.54 0.00 0.00 36.73 39.54 2giw h TYR 74 CO 0.04 -0.21 -0.86 0.42 -1.64 0.00 0.00 178.16 175.91 2giw s ILE 75 N -6.19 1.84 -1.14 1.81 1.01 -0.25 -5.06 121.20 113.23 2giw s ILE 75 Ca -0.14 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.46 2giw s ILE 75 Cb 0.18 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 2giw s ILE 75 CO 0.73 0.51 1.97 -0.81 0.00 0.00 0.00 174.94 177.34 2giw n PRO 76 N 3.96 2.19 -0.07 2.79 -0.04 -1.26 -4.18 135.00 138.40 2giw n PRO 76 Ca -0.20 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 60.82 2giw n PRO 76 Cb 0.52 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 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 4.84 -0.11 3.34 0.55 0.00 -1.26 -5.05 105.19 107.51 2giw n GLY 77 Ca 0.49 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 1.80 0.35 2.61 -1.32 -1.26 -4.62 115.64 113.20 2giw s THR 78 Ca 0.00 -2.03 0.10 0.00 -1.21 0.00 0.00 61.69 58.55 2giw s THR 78 Cb 0.00 -1.92 0.08 0.00 -1.51 0.00 0.00 72.50 69.16 2giw s THR 78 CO 0.00 -0.42 1.80 0.50 -2.21 0.00 0.00 174.62 174.29 2giw h LYS 79 N 2.98 0.10 -6.83 7.08 3.64 -1.98 -3.45 116.57 118.11 2giw h LYS 79 Ca -0.41 -0.04 -0.56 0.00 -1.27 0.00 0.00 60.65 58.38 2giw h LYS 79 Cb 1.21 -0.01 0.11 0.00 -0.41 0.00 0.00 32.23 33.14 2giw h LYS 79 CO 0.55 0.44 0.63 -0.12 -2.27 0.00 0.00 179.45 178.68 2giw n MET 80 N -4.10 2.37 -3.89 1.90 1.56 -1.26 -4.98 117.12 108.73 2giw n MET 80 Ca -0.02 0.83 -0.30 0.00 -0.27 0.00 0.00 57.70 57.95 2giw n MET 80 Cb 0.41 -2.48 -0.14 0.00 2.15 0.00 0.00 33.22 33.16 2giw n MET 80 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 2giw s ILE 81 N -1.09 2.24 -0.23 1.12 -1.09 -1.26 -4.88 121.20 116.01 2giw s ILE 81 Ca 0.54 -3.05 -0.20 0.00 -2.23 0.00 0.00 60.65 55.71 2giw s ILE 81 Cb -0.53 -2.57 0.06 0.00 -1.58 0.00 0.00 42.46 37.85 2giw s ILE 81 CO 0.63 -0.81 0.60 0.12 -1.23 0.00 0.00 174.94 174.24 2giw s PHE 82 N -0.05 -0.70 -0.06 3.97 5.36 -1.26 -5.16 117.98 120.08 2giw s PHE 82 Ca 0.17 1.65 -0.02 0.00 -0.96 0.00 0.00 56.93 57.77 2giw s PHE 82 Cb -0.25 0.28 0.03 0.00 -0.34 0.00 0.00 43.02 42.74 2giw s PHE 82 CO -0.01 -0.34 0.06 0.00 -1.46 0.00 0.00 175.22 173.47 2giw s ALA 83 N 0.55 0.29 0.00 11.12 0.00 -1.26 -4.40 121.76 128.06 2giw s ALA 83 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2giw s ALA 83 Cb -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2giw s ALA 83 CO -0.03 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2giw n GLY 84 N 5.28 0.06 2.03 0.00 0.00 -1.20 -4.96 105.19 106.41 2giw n GLY 84 Ca -0.04 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 0.00 0.00 -0.61 3.06 -1.26 -4.67 119.36 115.88 2giw n ILE 85 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2giw n ILE 85 Cb 0.00 -0.03 0.00 0.00 0.54 0.00 0.00 39.64 40.15 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 -2.68 0.00 -2.66 9.51 4.81 -1.26 -4.94 118.16 120.93 2giw n LYS 86 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 2giw n LYS 86 Cb 0.00 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.11 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 -1.22 0.06 0.00 1.64 4.81 -1.26 -5.02 118.16 117.18 2giw n LYS 87 Ca 0.00 -0.62 0.00 0.00 -0.87 0.00 0.00 58.31 56.82 2giw n LYS 87 Cb 0.00 0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.07 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 1.87 0.00 -0.32 1.64 5.02 -1.26 -4.56 118.16 120.55 2giw n LYS 88 Ca 0.04 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 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 -0.97 -0.18 2.02 -1.98 0.17 112.91 111.98 2giw h THR 89 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2giw h THR 89 Cb 0.00 0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 66.36 2giw h THR 89 CO 0.00 0.00 0.63 -0.08 0.37 0.00 0.00 175.52 176.44 2giw h GLU 90 N -0.12 1.13 0.00 6.66 4.81 -1.92 0.35 114.58 125.49 2giw h GLU 90 Ca 0.17 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2giw h GLU 90 Cb 0.50 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2giw h GLU 90 CO -0.83 0.75 0.00 -0.09 -0.73 0.00 0.00 179.01 178.11 2giw h ARG 91 N 1.17 0.00 0.00 1.92 2.43 -1.05 -0.71 114.38 118.14 2giw h ARG 91 Ca 0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2giw h ARG 91 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2giw h ARG 91 CO -0.15 0.00 -0.89 -1.91 -1.51 0.00 0.00 179.97 175.51 2giw n GLU 92 N -2.56 1.45 -0.06 0.20 4.07 -0.08 -4.34 120.64 119.32 2giw n GLU 92 Ca -0.01 -0.02 -0.08 0.00 -0.06 0.00 0.00 57.16 56.99 2giw n GLU 92 Cb 0.10 -0.96 -0.08 0.00 -0.06 0.00 0.00 31.44 30.44 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 -0.01 -0.61 4.31 3.32 -0.15 0.33 116.42 123.62 2giw h ASP 93 Ca 0.00 -0.58 0.04 0.00 0.02 0.00 0.00 57.03 56.51 2giw h ASP 93 Cb 0.10 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2giw h ASP 93 CO 0.00 0.77 0.35 -0.07 -1.72 0.00 0.00 179.24 178.57 2giw h LEU 94 N -0.99 0.55 -0.27 1.55 -0.00 -1.37 0.28 115.31 115.07 2giw h LEU 94 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2giw h LEU 94 Cb 0.59 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2giw h LEU 94 CO 0.00 0.38 0.00 -0.38 -0.00 0.00 0.00 178.44 178.44 2giw n ILE 95 N -4.77 0.07 -0.12 1.22 2.08 -1.26 -1.00 119.36 115.58 2giw n ILE 95 Ca 0.06 -0.09 -0.24 0.00 0.56 0.00 0.00 62.75 63.04 2giw n ILE 95 Cb 0.11 -0.05 -0.08 0.00 -0.75 0.00 0.00 39.64 38.87 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 -0.42 1.08 0.01 -1.39 0.00 -0.08 -4.18 120.51 115.54 2giw n ALA 96 Ca 0.09 -0.99 -0.14 0.00 0.00 0.00 0.00 53.44 52.40 2giw n ALA 96 Cb 0.10 0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.50 0.00 0.00 3.20 -0.87 -2.13 116.97 114.66 2giw h TYR 97 Ca -0.51 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 2giw h TYR 97 Cb 1.43 0.67 -0.00 0.00 1.54 0.00 0.00 36.73 40.37 2giw h TYR 97 CO -0.16 -0.52 -0.03 -0.07 -1.64 0.00 0.00 178.16 175.74 2giw h LEU 98 N -0.57 0.00 -2.31 2.82 3.38 -1.32 0.24 115.31 117.55 2giw h LEU 98 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2giw h LEU 98 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2giw h LEU 98 CO -0.39 0.03 -0.04 0.50 0.09 0.00 0.00 178.44 178.63 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.64 -1.55 -2.16 116.57 117.63 2giw h LYS 99 Ca -0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2giw h LYS 99 Cb 0.12 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2giw h LYS 99 CO 0.00 0.04 -1.53 1.17 -2.27 0.00 0.00 179.45 176.87 2giw n LYS 100 N -3.56 2.13 -0.23 1.90 3.00 0.12 -4.54 118.16 116.98 2giw n LYS 100 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 2giw n LYS 100 Cb 0.15 -1.21 0.12 0.00 0.00 0.00 0.00 35.03 34.09 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 0.50 0.91 0.00 3.14 0.00 -0.25 0.32 119.26 123.87 2giw h ALA 101 Ca -0.17 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2giw h ALA 101 Cb 1.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2giw h ALA 101 CO 0.01 -0.05 0.23 0.00 0.00 0.00 0.00 179.25 179.45 2giw h THR 102 N 0.59 0.00 -0.40 0.00 1.03 -1.64 -1.03 112.91 111.46 2giw h THR 102 Ca 0.32 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 66.49 2giw h THR 102 Cb 0.31 0.54 -0.40 0.00 -1.07 0.00 0.00 68.15 67.53 2giw h THR 102 CO -0.24 0.00 -1.11 -3.20 -0.01 0.00 0.00 175.52 170.96 2giw n ASN 103 N -2.52 1.51 0.00 0.00 4.05 0.24 -4.48 115.26 114.06 2giw n ASN 103 Ca -0.02 -2.02 0.13 0.00 0.45 0.00 0.00 54.58 53.12 2giw n ASN 103 Cb 0.27 -0.46 0.75 0.00 1.23 0.00 0.00 39.78 41.58 2giw n ASN 103 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59