#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 -4.81 116.55 120.09 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 0.06 2.53 3.14 -1.26 -4.71 118.33 118.09 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 -0.09 0.00 -1.06 0.00 0.00 33.84 32.69 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 -0.18 -0.41 1.45 4.39 -1.96 -0.28 114.58 117.58 2giw h GLU 4 Ca 0.00 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.80 2giw h GLU 4 Cb 0.00 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 28.60 2giw h GLU 4 CO 0.00 0.21 -0.21 0.87 -1.16 0.00 0.00 179.01 178.73 2giw h LYS 5 N -0.64 -0.12 -0.27 2.33 1.79 -1.93 0.39 116.57 118.11 2giw h LYS 5 Ca -0.02 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 2giw h LYS 5 Cb 0.48 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 31.08 2giw h LYS 5 CO 0.03 -0.08 -0.36 0.78 -1.08 0.00 0.00 179.45 178.74 2giw h GLY 6 N -0.13 -0.45 1.65 3.86 0.00 -1.65 0.71 103.07 107.07 2giw h GLY 6 Ca 0.20 0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.94 2giw h GLY 6 CO -0.49 -0.21 0.01 0.07 0.00 0.00 0.00 176.54 175.92 2giw h LYS 7 N -0.36 0.45 0.01 4.80 2.10 -0.24 0.16 116.57 123.48 2giw h LYS 7 Ca 0.12 -0.08 -0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2giw h LYS 7 Cb 0.57 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2giw h LYS 7 CO -0.46 0.47 -0.00 -0.22 -2.00 0.00 0.00 179.45 177.23 2giw h LYS 8 N 0.44 -0.01 -0.46 0.07 3.11 0.00 -1.55 116.57 118.17 2giw h LYS 8 Ca 0.10 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.85 2giw h LYS 8 Cb 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 2giw h LYS 8 CO 0.01 0.65 -0.07 0.82 -2.81 0.00 0.00 179.45 178.04 2giw h ILE 9 N -0.68 1.27 -0.13 2.00 5.03 -0.76 -1.17 117.51 123.07 2giw h ILE 9 Ca -0.00 -1.17 0.02 0.00 -0.12 0.00 0.00 64.86 63.59 2giw h ILE 9 Cb 0.66 1.10 -0.04 0.00 -3.03 0.00 0.00 36.82 35.51 2giw h ILE 9 CO 0.00 0.40 -0.33 0.15 -0.68 0.00 0.00 178.15 177.69 2giw h PHE 10 N 0.70 -1.00 -0.62 1.37 3.57 -0.73 0.00 116.94 120.23 2giw h PHE 10 Ca 0.12 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.77 2giw h PHE 10 Cb 0.60 0.45 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 2giw h PHE 10 CO 0.05 -0.32 0.42 0.28 -2.23 0.00 0.00 178.31 176.50 2giw h VAL 11 N -0.33 0.86 0.08 1.41 2.07 -1.08 0.53 116.25 119.81 2giw h VAL 11 Ca 0.03 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 2giw h VAL 11 Cb 0.40 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2giw h VAL 11 CO -0.29 0.07 -0.04 -0.61 0.02 0.00 0.00 177.57 176.71 2giw h GLN 12 N 0.36 -0.11 -0.00 1.57 4.15 -0.08 -3.31 115.11 117.69 2giw h GLN 12 Ca 0.29 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.72 2giw h GLN 12 Cb 0.65 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.36 2giw h GLN 12 CO -0.08 -0.06 -0.01 1.63 -1.93 0.00 0.00 178.83 178.38 2giw n LYS 13 N -5.13 0.09 0.00 1.69 5.02 -0.12 -4.77 118.16 114.94 2giw n LYS 13 Ca -0.08 -0.63 0.00 0.00 -2.02 0.00 0.00 58.31 55.58 2giw n LYS 13 Cb 0.08 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 2giw n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2giw h ALA 15 N 0.00 2.32 -1.21 0.00 0.00 -1.59 0.11 119.26 118.89 2giw h ALA 15 Ca 0.00 -0.01 0.40 0.00 0.00 0.00 0.00 54.91 55.29 2giw h ALA 15 Cb 0.84 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.51 2giw h ALA 15 CO 0.00 -0.46 0.76 -0.56 0.00 0.00 0.00 179.25 178.99 2giw h GLN 16 N 0.10 0.14 0.00 0.00 3.07 -1.86 -2.03 115.11 114.53 2giw h GLN 16 Ca 0.23 -0.01 -0.08 0.00 0.09 0.00 0.00 58.65 58.88 2giw h GLN 16 Cb 0.79 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.30 2giw h GLN 16 CO -0.02 0.09 -1.65 0.00 0.09 0.00 0.00 178.83 177.34 2giw s HIS 18 N -2.63 2.18 -0.25 0.00 3.76 0.07 -1.79 115.29 116.63 2giw s HIS 18 Ca -0.05 -2.64 -0.06 0.00 -0.15 0.00 0.00 55.06 52.16 2giw s HIS 18 Cb 0.06 -1.86 -0.22 0.00 1.11 0.00 0.00 32.58 31.66 2giw s HIS 18 CO 0.49 -0.73 3.48 0.25 -0.85 0.00 0.00 174.74 177.38 2giw n THR 19 N 2.97 3.21 -1.17 1.30 -2.24 -1.24 -4.15 114.28 112.97 2giw n THR 19 Ca 0.17 -1.75 -0.39 0.00 -2.27 0.00 0.00 64.05 59.80 2giw n THR 19 Cb 0.38 -2.06 -0.04 0.00 -2.10 0.00 0.00 70.33 66.51 2giw n THR 19 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2giw n VAL 20 N 2.53 2.29 -2.69 2.28 3.14 -1.26 -3.59 118.33 121.03 2giw n VAL 20 Ca 0.48 -1.83 -0.06 0.00 -2.96 0.00 0.00 64.34 59.97 2giw n VAL 20 Cb 0.80 -2.34 0.08 0.00 -1.06 0.00 0.00 33.84 31.32 2giw n VAL 20 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2giw n GLU 21 N 6.20 0.78 -3.97 1.45 0.00 -1.26 -4.95 120.64 118.89 2giw n GLU 21 Ca 0.50 -1.43 -0.26 0.00 0.00 0.00 0.00 57.16 55.96 2giw n GLU 21 Cb 0.34 -0.26 -0.08 0.00 0.00 0.00 0.00 31.44 31.44 2giw n GLU 21 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2giw n LYS 22 N -0.23 -0.93 -0.00 5.31 2.85 -1.24 -4.79 118.16 119.13 2giw n LYS 22 Ca -0.07 0.08 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 2giw n LYS 22 Cb 0.76 -3.00 -0.01 0.00 -0.65 0.00 0.00 35.03 32.12 2giw n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2giw n GLY 23 N -2.14 -0.23 0.00 2.58 0.00 -1.25 -5.11 105.19 99.04 2giw n GLY 23 Ca -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 2.71 6.81 0.86 -0.02 0.00 -1.26 -5.17 105.19 109.12 2giw n GLY 24 Ca -0.05 -1.85 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 2giw n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2giw n LYS 25 N 0.00 0.33 0.00 1.61 4.01 -1.26 -4.96 118.16 117.89 2giw n LYS 25 Ca 0.00 -0.58 0.00 0.00 -0.51 0.00 0.00 58.31 57.22 2giw n LYS 25 Cb 0.00 -0.17 0.00 0.00 -0.51 0.00 0.00 35.03 34.35 2giw n LYS 25 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2giw n HIS 26 N -1.82 0.00 -2.82 2.13 8.25 -1.26 -4.26 115.22 115.43 2giw n HIS 26 Ca 0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.48 2giw n HIS 26 Cb 0.13 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.09 2giw n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2giw n LYS 27 N -1.52 -1.33 -1.35 -0.41 4.81 -1.26 -4.04 118.16 113.06 2giw n LYS 27 Ca 0.00 1.47 -0.08 0.00 -0.87 0.00 0.00 58.31 58.84 2giw n LYS 27 Cb 0.00 -5.20 -0.03 0.00 0.02 0.00 0.00 35.03 29.82 2giw n LYS 27 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2giw n THR 28 N -1.41 -0.05 -3.65 3.15 -1.04 -1.26 -4.33 114.28 105.69 2giw n THR 28 Ca 0.02 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.04 2giw n THR 28 Cb 0.48 -1.09 -0.06 0.00 -1.82 0.00 0.00 70.33 67.84 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 -2.88 0.52 0.23 3.41 0.00 -0.74 -4.85 107.32 103.01 2giw s GLY 29 Ca 0.00 3.72 -0.30 0.00 0.00 0.00 0.00 44.72 48.14 2giw s GLY 29 CO 0.00 2.66 1.34 2.56 0.00 0.00 0.00 173.10 179.66 2giw s PRO 30 N 0.97 4.36 -0.05 2.90 0.04 -1.26 -4.35 135.00 137.60 2giw s PRO 30 Ca -0.07 2.14 -0.32 0.00 0.04 0.00 0.00 61.00 62.79 2giw s PRO 30 Cb -0.03 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.26 2giw s PRO 30 CO -0.11 -0.27 1.98 0.27 0.04 0.00 0.00 177.00 178.91 2giw n ASN 31 N 2.26 3.73 -2.46 6.66 6.94 -1.26 -4.82 115.26 126.30 2giw n ASN 31 Ca 0.05 0.83 -0.18 0.00 -0.02 0.00 0.00 54.58 55.26 2giw n ASN 31 Cb 0.42 -1.46 -0.11 0.00 -2.36 0.00 0.00 39.78 36.27 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 7.79 5.63 -3.65 -4.53 4.77 -1.26 -4.81 117.00 120.94 2giw n LEU 32 Ca 0.23 -3.22 -0.41 0.00 -0.03 0.00 0.00 56.01 52.58 2giw n LEU 32 Cb 0.36 -1.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.13 2giw n LEU 32 CO 0.70 1.51 2.62 1.57 -1.33 0.00 0.00 177.39 182.46 2giw n HIS 33 N 2.96 2.98 0.00 -1.77 -0.00 -1.26 -4.22 115.22 113.90 2giw n HIS 33 Ca 0.48 -2.69 0.00 0.00 0.46 0.00 0.00 57.72 55.97 2giw n HIS 33 Cb 0.61 -2.33 0.00 0.00 -0.12 0.00 0.00 29.99 28.15 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 4.14 2.09 5.27 1.57 0.00 -1.26 -5.03 105.19 111.97 2giw n GLY 34 Ca 0.54 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.48 0.99 4.77 -1.26 -4.29 117.00 112.73 2giw n LEU 35 Ca 0.00 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.50 2giw n LEU 35 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2giw n LEU 35 CO 0.00 0.00 1.85 0.49 -1.33 0.00 0.00 177.39 178.40 2giw n PHE 36 N 0.00 1.60 -2.29 -1.77 3.72 -1.07 -1.52 117.46 116.13 2giw n PHE 36 Ca 0.00 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 2giw n PHE 36 Cb 0.00 -2.56 0.00 0.00 -0.94 0.00 0.00 39.48 35.98 2giw n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2giw n GLY 37 N 6.39 0.95 2.80 1.37 0.00 -0.93 -5.04 105.19 110.73 2giw n GLY 37 Ca 0.40 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.59 0.82 -0.43 1.61 3.52 -0.58 -5.07 118.95 114.25 2giw s ARG 38 Ca 0.00 0.02 -0.32 0.00 -0.13 0.00 0.00 55.73 55.31 2giw s ARG 38 Cb 0.00 -1.11 -0.10 0.00 -1.56 0.00 0.00 34.95 32.18 2giw s ARG 38 CO 0.00 -0.29 2.30 1.63 -0.81 0.00 0.00 175.30 178.13 2giw n LYS 39 N 5.07 1.10 -1.47 5.12 4.01 -1.26 -3.70 118.16 127.03 2giw n LYS 39 Ca -0.09 0.23 -0.31 0.00 -0.51 0.00 0.00 58.31 57.63 2giw n LYS 39 Cb 0.50 -2.71 0.07 0.00 -0.51 0.00 0.00 35.03 32.38 2giw n LYS 39 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2giw s THR 40 N 8.77 3.56 0.00 -0.18 2.01 -0.16 -4.07 115.64 125.57 2giw s THR 40 Ca 1.08 0.55 0.00 0.00 0.31 0.00 0.00 61.69 63.63 2giw s THR 40 Cb -0.66 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 68.73 2giw s THR 40 CO 0.42 -0.62 0.00 0.61 -0.69 0.00 0.00 174.62 174.34 2giw n GLY 41 N -1.33 0.70 3.14 4.40 0.00 -1.26 -3.66 105.19 107.19 2giw n GLY 41 Ca 0.09 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.09 0.60 -0.41 1.61 0.74 -1.26 -4.76 119.66 115.09 2giw s GLN 42 Ca 0.00 0.13 0.02 0.00 0.05 0.00 0.00 55.36 55.55 2giw s GLN 42 Cb 0.00 0.15 0.13 0.00 1.10 0.00 0.00 33.01 34.39 2giw s GLN 42 CO 0.00 -0.97 0.21 0.00 -0.55 0.00 0.00 175.29 173.98 2giw s ALA 43 N 2.36 1.95 -1.09 1.58 0.00 -1.26 -4.96 121.76 120.35 2giw s ALA 43 Ca 0.14 -2.39 -0.22 0.00 0.00 0.00 0.00 51.96 49.50 2giw s ALA 43 Cb -0.06 -1.83 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 2giw s ALA 43 CO -0.17 -2.01 1.92 -0.35 0.00 0.00 0.00 175.76 175.15 2giw n PRO 44 N 3.79 1.81 0.00 0.00 -0.04 -1.26 -3.13 135.00 136.17 2giw n PRO 44 Ca 0.07 -2.39 0.00 0.00 -0.04 0.00 0.00 63.50 61.14 2giw n PRO 44 Cb 0.36 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.37 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 5.31 -2.40 0.13 0.55 0.00 -1.26 -5.01 105.19 102.50 2giw n GLY 45 Ca 0.47 0.79 -0.26 0.00 0.00 0.00 0.00 46.02 47.02 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 -0.68 0.22 -1.43 1.61 7.35 -1.25 -5.10 117.46 118.18 2giw n PHE 46 Ca 0.00 0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 2giw n PHE 46 Cb 0.00 -0.98 0.00 0.00 0.35 0.00 0.00 39.48 38.85 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 -4.31 0.00 -4.02 -2.13 5.66 -1.18 -5.02 114.28 103.27 2giw n THR 47 Ca -0.46 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.41 2giw n THR 47 Cb 0.81 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.56 2giw n THR 47 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2giw s TYR 48 N 0.00 0.78 0.32 1.09 1.13 -1.26 -4.92 117.35 114.50 2giw s TYR 48 Ca 0.00 -1.12 -0.28 0.00 -1.41 0.00 0.00 57.07 54.26 2giw s TYR 48 Cb 0.00 0.12 -0.13 0.00 -1.10 0.00 0.00 41.96 40.86 2giw s TYR 48 CO 0.00 -1.19 1.30 0.25 -2.51 0.00 0.00 175.55 173.40 2giw n THR 49 N -0.53 1.83 -0.29 -3.49 -2.24 -1.26 -4.49 114.28 103.81 2giw n THR 49 Ca -0.01 -0.46 0.21 0.00 -2.27 0.00 0.00 64.05 61.52 2giw n THR 49 Cb 0.61 -1.54 0.40 0.00 -2.10 0.00 0.00 70.33 67.71 2giw n THR 49 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2giw n ASP 50 N 1.01 0.13 -0.30 3.42 5.75 -1.26 -0.33 116.55 124.97 2giw n ASP 50 Ca 0.06 1.47 0.18 0.00 -0.01 0.00 0.00 54.79 56.49 2giw n ASP 50 Cb 0.35 -0.63 0.45 0.00 -1.03 0.00 0.00 41.12 40.25 2giw n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2giw h ALA 51 N 1.75 2.03 0.09 2.12 0.00 -1.89 0.50 119.26 123.86 2giw h ALA 51 Ca 0.65 0.05 -0.37 0.00 0.00 0.00 0.00 54.91 55.24 2giw h ALA 51 Cb 1.58 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2giw h ALA 51 CO -0.74 -0.38 -2.09 -1.71 0.00 0.00 0.00 179.25 174.34 2giw n ASN 52 N -4.62 1.96 0.30 0.00 2.85 0.56 -4.13 115.26 112.16 2giw n ASN 52 Ca 0.22 0.15 0.16 0.00 -0.11 0.00 0.00 54.58 55.00 2giw n ASN 52 Cb 0.70 -0.67 0.95 0.00 1.24 0.00 0.00 39.78 42.00 2giw n ASN 52 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2giw h LYS 53 N 0.05 0.00 0.00 1.20 1.79 0.44 0.15 116.57 120.19 2giw h LYS 53 Ca -0.45 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.01 2giw h LYS 53 Cb 2.01 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.66 2giw h LYS 53 CO 0.05 0.00 -0.80 -0.97 -1.08 0.00 0.00 179.45 176.65 2giw h ASN 54 N 0.00 0.00 -0.64 0.86 -0.73 -0.24 -3.39 115.58 111.44 2giw h ASN 54 Ca 0.01 0.00 0.10 0.00 1.87 0.00 0.00 56.30 58.28 2giw h ASN 54 Cb 0.05 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 38.56 2giw h ASN 54 CO -0.00 0.03 0.25 0.50 -0.37 0.00 0.00 177.43 177.83 2giw h LYS 55 N 0.00 0.41 -1.90 6.67 1.63 -0.86 -3.46 116.57 119.07 2giw h LYS 55 Ca -0.01 -0.02 -0.31 0.00 -0.85 0.00 0.00 60.65 59.46 2giw h LYS 55 Cb 1.03 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.52 2giw h LYS 55 CO 0.00 0.27 -0.38 0.41 -3.45 0.00 0.00 179.45 176.31 2giw n GLY 56 N -1.30 0.14 0.00 5.01 0.00 -1.24 -4.99 105.19 102.80 2giw n GLY 56 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2giw n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2giw n ILE 57 N -3.69 0.00 -2.12 -0.61 -5.35 -1.26 -4.80 119.36 101.53 2giw n ILE 57 Ca -0.18 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.31 2giw n ILE 57 Cb 0.61 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 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 0.00 -2.80 7.28 -1.04 -1.26 -0.99 114.28 115.47 2giw n THR 58 Ca 0.00 -0.24 -0.03 0.00 -2.04 0.00 0.00 64.05 61.74 2giw n THR 58 Cb 0.00 0.55 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 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 0.12 -0.23 -2.74 -1.42 7.02 -1.24 -2.20 117.44 116.75 2giw n TRP 59 Ca -0.00 0.09 -0.20 0.00 -1.02 0.00 0.00 57.50 56.36 2giw n TRP 59 Cb 0.78 -0.32 0.04 0.00 -2.42 0.00 0.00 31.31 29.38 2giw n TRP 59 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 2giw s LYS 60 N -2.75 2.53 0.00 -0.99 0.00 -1.26 -2.60 119.74 114.67 2giw s LYS 60 Ca 0.01 -0.97 -0.02 0.00 0.00 0.00 0.00 55.97 54.99 2giw s LYS 60 Cb -0.00 -2.55 -0.11 0.00 0.00 0.00 0.00 37.83 35.16 2giw s LYS 60 CO 0.11 -0.67 2.14 -0.85 0.00 0.00 0.00 175.35 176.08 2giw n GLU 61 N -2.26 1.10 0.16 1.78 0.28 -1.26 -2.29 120.64 118.15 2giw n GLU 61 Ca 0.09 -0.41 0.00 0.00 -0.16 0.00 0.00 57.16 56.68 2giw n GLU 61 Cb 0.60 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 31.90 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 2.25 0.00 -0.38 3.44 1.02 -1.26 -4.76 120.64 120.96 2giw n GLU 62 Ca 0.18 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.30 2giw n GLU 62 Cb 0.52 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 32.05 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 -0.67 2.62 1.35 -1.85 -0.67 112.91 114.95 2giw h THR 63 Ca 0.00 -0.47 -0.02 0.00 -0.55 0.00 0.00 66.41 65.37 2giw h THR 63 Cb 0.00 -0.22 -0.03 0.00 -1.73 0.00 0.00 68.15 66.17 2giw h THR 63 CO 0.00 0.25 0.33 -0.07 -0.25 0.00 0.00 175.52 175.78 2giw h LEU 64 N 1.36 0.86 0.26 3.87 4.07 -1.79 -0.63 115.31 123.31 2giw h LEU 64 Ca 0.37 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.21 2giw h LEU 64 Cb -0.15 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.35 2giw h LEU 64 CO -0.08 0.75 -0.27 0.24 -1.08 0.00 0.00 178.44 177.99 2giw h MET 65 N 0.92 -0.55 -0.37 1.13 2.86 -1.43 -0.52 114.93 116.97 2giw h MET 65 Ca 0.23 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.92 2giw h MET 65 Cb 0.11 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2giw h MET 65 CO -0.03 -0.37 0.23 0.93 1.06 0.00 0.00 176.91 178.73 2giw h GLU 66 N -0.57 0.45 0.84 1.72 3.07 -1.19 -0.18 114.58 118.72 2giw h GLU 66 Ca -0.01 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 2giw h GLU 66 Cb 0.53 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.34 2giw h GLU 66 CO -0.06 0.30 -0.49 -0.92 -1.40 0.00 0.00 179.01 176.44 2giw h TYR 67 N 0.46 -1.29 0.00 4.33 3.20 -1.01 -0.45 116.97 122.21 2giw h TYR 67 Ca 0.14 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2giw h TYR 67 Cb -0.02 0.45 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 2giw h TYR 67 CO -0.07 -0.74 -0.05 -0.07 -1.64 0.00 0.00 178.16 175.59 2giw h LEU 68 N -1.23 0.00 0.05 2.82 -0.00 -0.98 0.11 115.31 116.07 2giw h LEU 68 Ca -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2giw h LEU 68 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.64 2giw h LEU 68 CO 0.13 0.05 -0.02 -0.08 -0.00 0.00 0.00 178.44 178.52 2giw h GLU 69 N 0.00 -0.06 -0.99 1.13 4.22 -0.76 -3.43 114.58 114.69 2giw h GLU 69 Ca -0.00 0.00 -0.39 0.00 0.08 0.00 0.00 59.36 59.06 2giw h GLU 69 Cb 0.11 0.01 -0.26 0.00 0.50 0.00 0.00 28.75 29.11 2giw h GLU 69 CO 0.01 0.12 -0.80 -1.71 -2.18 0.00 0.00 179.01 174.45 2giw n ASN 70 N -5.04 -1.34 -0.11 1.04 2.85 -0.18 -4.50 115.26 107.99 2giw n ASN 70 Ca -0.08 -3.03 -0.12 0.00 -0.11 0.00 0.00 54.58 51.24 2giw n ASN 70 Cb 0.13 0.62 -0.04 0.00 1.24 0.00 0.00 39.78 41.73 2giw n ASN 70 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2giw h PRO 71 N 3.92 0.67 0.00 1.20 0.13 -1.09 0.42 132.00 137.26 2giw h PRO 71 Ca -0.04 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2giw h PRO 71 Cb 0.96 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2giw h PRO 71 CO 0.39 0.90 0.00 0.87 -0.23 0.00 0.00 178.00 179.93 2giw h LYS 72 N 0.43 0.00 0.00 0.86 1.57 -1.81 -1.01 116.57 116.61 2giw h LYS 72 Ca 0.07 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.67 2giw h LYS 72 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 2giw h LYS 72 CO 0.05 0.00 -1.01 -0.22 -0.57 0.00 0.00 179.45 177.71 2giw h LYS 73 N 0.00 0.00 -0.52 3.15 1.63 -1.38 -3.37 116.57 116.09 2giw h LYS 73 Ca 0.00 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.88 2giw h LYS 73 Cb 0.14 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.70 2giw h LYS 73 CO 0.00 0.88 0.17 -0.92 -3.45 0.00 0.00 179.45 176.13 2giw h TYR 74 N -1.00 0.30 -3.09 1.91 3.20 -0.92 -3.39 116.97 113.98 2giw h TYR 74 Ca -0.26 0.03 -0.64 0.00 3.14 0.00 0.00 58.73 61.00 2giw h TYR 74 Cb 1.16 -0.05 -0.35 0.00 1.54 0.00 0.00 36.73 39.02 2giw h TYR 74 CO 0.09 0.08 -0.85 0.42 -1.64 0.00 0.00 178.16 176.26 2giw s ILE 75 N -6.12 1.82 -1.01 1.81 1.01 -0.40 -5.07 121.20 113.24 2giw s ILE 75 Ca -0.13 -0.79 -0.24 0.00 0.00 0.00 0.00 60.65 59.49 2giw s ILE 75 Cb 0.15 -1.67 -0.06 0.00 0.01 0.00 0.00 42.46 40.89 2giw s ILE 75 CO 0.73 0.50 1.95 -2.16 0.00 0.00 0.00 174.94 175.96 2giw s PRO 76 N 1.39 2.52 0.00 2.79 0.04 -1.26 -3.23 135.00 137.25 2giw s PRO 76 Ca 0.05 -0.63 0.00 0.00 0.04 0.00 0.00 61.00 60.46 2giw s PRO 76 Cb -0.13 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2giw s PRO 76 CO -0.12 -3.63 0.00 0.41 0.04 0.00 0.00 177.00 173.70 2giw n GLY 77 N 6.44 0.79 0.26 0.56 0.00 -1.26 -4.77 105.19 107.21 2giw n GLY 77 Ca 0.42 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.44 2giw n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2giw h THR 78 N 0.00 0.00 -1.36 2.61 1.03 -1.84 -3.45 112.91 109.89 2giw h THR 78 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 66.41 66.11 2giw h THR 78 Cb 0.21 0.57 -0.06 0.00 -1.07 0.00 0.00 68.15 67.80 2giw h THR 78 CO 0.00 0.00 -0.32 1.17 -0.01 0.00 0.00 175.52 176.36 2giw n LYS 79 N -2.57 -1.07 0.11 0.00 4.81 -1.26 -4.73 118.16 113.45 2giw n LYS 79 Ca -0.02 0.85 0.08 0.00 -0.87 0.00 0.00 58.31 58.36 2giw n LYS 79 Cb 0.27 -5.05 0.00 0.00 0.02 0.00 0.00 35.03 30.28 2giw n LYS 79 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 2giw h MET 80 N 0.00 0.00 -6.10 1.64 4.05 -1.92 -3.49 114.93 109.10 2giw h MET 80 Ca -0.32 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 58.74 2giw h MET 80 Cb 1.09 0.00 0.08 0.00 -0.80 0.00 0.00 31.60 31.97 2giw h MET 80 CO 0.42 0.10 -0.83 -0.89 0.23 0.00 0.00 176.91 175.93 2giw n ILE 81 N -2.81 -6.45 -3.79 1.77 2.08 -1.26 -5.01 119.36 103.88 2giw n ILE 81 Ca -0.02 -0.81 -0.13 0.00 0.56 0.00 0.00 62.75 62.35 2giw n ILE 81 Cb 0.62 -4.73 -0.10 0.00 -0.75 0.00 0.00 39.64 34.69 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 -3.35 -0.18 -0.35 1.39 5.36 -1.26 -5.09 117.98 114.50 2giw s PHE 82 Ca 0.37 0.34 0.09 0.00 -0.96 0.00 0.00 56.93 56.76 2giw s PHE 82 Cb -0.12 0.07 0.33 0.00 -0.34 0.00 0.00 43.02 42.96 2giw s PHE 82 CO 0.84 -0.30 1.32 0.00 -1.46 0.00 0.00 175.22 175.62 2giw n ALA 83 N 1.78 1.01 0.00 11.12 0.00 -1.26 -4.59 120.51 128.57 2giw n ALA 83 Ca -0.19 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.22 2giw n ALA 83 Cb 0.56 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.81 3.38 1.43 0.00 0.00 -1.26 -5.08 105.19 102.85 2giw n GLY 84 Ca -0.10 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.55 0.00 0.03 -0.61 0.13 -1.26 -5.07 119.36 111.03 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 -0.61 0.00 0.00 -0.84 0.00 0.00 39.64 38.19 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 -2.44 0.00 0.05 9.51 4.81 -1.26 -4.99 118.16 123.84 2giw n LYS 86 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2giw n LYS 86 Cb 0.11 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.16 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 -2.40 0.00 0.00 1.64 4.81 -1.26 -5.05 118.16 115.90 2giw n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2giw n LYS 87 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2giw n LYS 87 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2giw n LYS 88 N -2.51 0.00 -0.07 1.64 2.85 -1.26 -4.86 118.16 113.95 2giw n LYS 88 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 2giw n LYS 88 Cb 0.00 -0.07 -0.08 0.00 -0.65 0.00 0.00 35.03 34.24 2giw n LYS 88 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2giw h THR 89 N 0.00 0.06 -0.36 0.58 2.02 -1.99 -0.59 112.91 112.63 2giw h THR 89 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2giw h THR 89 Cb 0.00 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 2giw h THR 89 CO 0.00 0.00 -0.09 -0.33 0.37 0.00 0.00 175.52 175.47 2giw h GLU 90 N -0.45 0.62 -0.90 6.66 5.08 -1.94 0.21 114.58 123.85 2giw h GLU 90 Ca 0.08 -0.18 0.15 0.00 -1.00 0.00 0.00 59.36 58.42 2giw h GLU 90 Cb 0.63 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 2giw h GLU 90 CO -0.51 0.70 0.58 -0.09 -1.00 0.00 0.00 179.01 178.69 2giw h ARG 91 N 0.57 0.64 0.08 2.33 9.65 -1.65 -0.59 114.38 125.42 2giw h ARG 91 Ca 0.11 -0.04 -0.18 0.00 -1.10 0.00 0.00 59.98 58.77 2giw h ARG 91 Cb 0.49 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 2giw h ARG 91 CO 0.03 0.43 -0.91 1.49 2.80 0.00 0.00 179.97 183.81 2giw h GLU 92 N 0.66 0.16 -0.24 0.20 4.57 0.57 -3.29 114.58 117.22 2giw h GLU 92 Ca 0.46 -0.28 0.01 0.00 -1.18 0.00 0.00 59.36 58.37 2giw h GLU 92 Cb 0.78 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 2giw h GLU 92 CO -0.21 1.13 0.13 0.22 -1.18 0.00 0.00 179.01 179.10 2giw h ASP 93 N -0.60 0.21 -0.22 1.04 1.82 -0.52 -1.57 116.42 116.59 2giw h ASP 93 Ca -0.20 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.50 2giw h ASP 93 Cb 1.48 -0.04 -0.06 0.00 0.68 0.00 0.00 39.33 41.39 2giw h ASP 93 CO 0.03 0.15 -0.15 -0.07 -1.61 0.00 0.00 179.24 177.59 2giw h LEU 94 N 0.27 -0.49 0.00 2.28 -0.00 -1.28 0.92 115.31 117.02 2giw h LEU 94 Ca 0.09 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 2giw h LEU 94 Cb 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2giw h LEU 94 CO -0.05 -0.19 0.00 -0.38 -0.00 0.00 0.00 178.44 177.82 2giw n ILE 95 N -5.31 0.95 -0.08 1.22 2.08 -0.92 -1.72 119.36 115.58 2giw n ILE 95 Ca -0.01 0.24 -0.23 0.00 0.56 0.00 0.00 62.75 63.31 2giw n ILE 95 Cb 0.22 -1.02 -0.12 0.00 -0.75 0.00 0.00 39.64 37.98 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 -1.42 0.91 0.02 -1.39 0.00 0.11 -3.44 120.51 115.30 2giw n ALA 96 Ca 0.04 -0.64 -0.11 0.00 0.00 0.00 0.00 53.44 52.73 2giw n ALA 96 Cb 0.13 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.66 -0.96 0.00 0.00 3.20 -0.73 -2.05 116.97 115.77 2giw h TYR 97 Ca -0.44 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.46 2giw h TYR 97 Cb 1.58 0.44 -0.00 0.00 1.54 0.00 0.00 36.73 40.28 2giw h TYR 97 CO 0.06 -0.42 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.05 2giw h LEU 98 N -0.44 0.00 -0.72 2.82 3.38 -1.49 0.17 115.31 119.03 2giw h LEU 98 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2giw h LEU 98 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2giw h LEU 98 CO -0.34 0.04 0.00 0.29 0.09 0.00 0.00 178.44 178.52 2giw n LYS 99 N -3.72 0.17 -0.02 1.13 5.02 -0.78 -1.61 118.16 118.34 2giw n LYS 99 Ca -0.03 0.44 0.01 0.00 -2.02 0.00 0.00 58.31 56.71 2giw n LYS 99 Cb 0.13 -1.84 -0.06 0.00 -0.02 0.00 0.00 35.03 33.23 2giw n LYS 99 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2giw n LYS 100 N -2.16 1.30 -0.23 1.97 -0.00 0.24 -4.59 118.16 114.69 2giw n LYS 100 Ca 0.02 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.31 58.27 2giw n LYS 100 Cb 0.19 -1.20 0.21 0.00 -0.00 0.00 0.00 35.03 34.23 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 0.61 1.38 -1.05 0.58 0.00 -0.30 0.91 119.26 121.38 2giw h ALA 101 Ca -0.09 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.02 2giw h ALA 101 Cb 0.85 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 2giw h ALA 101 CO 0.00 0.54 0.71 0.00 0.00 0.00 0.00 179.25 180.50 2giw h THR 102 N 1.03 0.50 0.02 0.00 1.03 -1.49 -3.06 112.91 110.95 2giw h THR 102 Ca 0.27 -0.07 -0.36 0.00 -0.01 0.00 0.00 66.41 66.24 2giw h THR 102 Cb -0.04 0.27 -0.06 0.00 -1.07 0.00 0.00 68.15 67.25 2giw h THR 102 CO -0.05 0.04 -2.21 -3.20 -0.01 0.00 0.00 175.52 170.09 2giw n ASN 103 N -4.43 0.94 0.00 0.00 2.85 0.18 -4.60 115.26 110.19 2giw n ASN 103 Ca 0.24 0.08 0.09 0.00 -0.11 0.00 0.00 54.58 54.89 2giw n ASN 103 Cb 0.99 0.19 0.55 0.00 1.24 0.00 0.00 39.78 42.75 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31