#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 2.00 0.19 1.61 -1.08 -1.26 -4.69 116.67 113.44 2giw s ASP 2 Ca 0.00 -1.12 -0.04 0.00 -0.52 0.00 0.00 52.55 50.87 2giw s ASP 2 Cb 0.00 -0.03 0.11 0.00 -1.46 0.00 0.00 42.92 41.54 2giw s ASP 2 CO 0.00 -0.39 1.51 1.62 0.52 0.00 0.00 175.17 178.43 2giw h VAL 3 N 2.56 1.31 0.18 1.11 3.04 -1.80 0.26 116.25 122.92 2giw h VAL 3 Ca -0.38 -1.75 -0.01 0.00 -1.01 0.00 0.00 66.70 63.56 2giw h VAL 3 Cb 1.21 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 32.21 2giw h VAL 3 CO 0.64 0.55 -0.09 -0.33 -1.01 0.00 0.00 177.57 177.33 2giw h GLU 4 N 0.46 -0.23 0.07 4.17 5.08 -1.96 0.11 114.58 122.27 2giw h GLU 4 Ca 0.02 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2giw h GLU 4 Cb 1.06 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2giw h GLU 4 CO 0.10 0.00 -0.03 0.87 -1.00 0.00 0.00 179.01 178.95 2giw h LYS 5 N -0.45 -0.09 -0.13 2.33 1.79 -1.95 -3.10 116.57 114.98 2giw h LYS 5 Ca -0.02 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.50 2giw h LYS 5 Cb 0.34 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.95 2giw h LYS 5 CO 0.04 0.14 -0.33 0.78 -1.08 0.00 0.00 179.45 179.00 2giw h GLY 6 N -0.31 -0.46 1.18 3.86 0.00 -0.29 0.25 103.07 107.30 2giw h GLY 6 Ca -0.01 0.40 0.08 0.00 0.00 0.00 0.00 47.33 47.80 2giw h GLY 6 CO 0.02 -0.22 0.37 0.07 0.00 0.00 0.00 176.54 176.77 2giw h LYS 7 N -0.40 0.42 0.17 4.80 2.10 -0.88 0.77 116.57 123.55 2giw h LYS 7 Ca 0.09 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 2giw h LYS 7 Cb 0.55 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2giw h LYS 7 CO -0.36 0.28 -0.08 0.87 -2.00 0.00 0.00 179.45 178.16 2giw h LYS 8 N 0.44 -0.22 -0.39 0.07 1.79 -0.95 -0.83 116.57 116.47 2giw h LYS 8 Ca 0.24 0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.64 2giw h LYS 8 Cb 0.40 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 2giw h LYS 8 CO -0.07 0.21 -0.09 0.82 -1.08 0.00 0.00 179.45 179.24 2giw h ILE 9 N -0.85 1.27 0.12 1.86 5.03 -0.76 -0.85 117.51 123.34 2giw h ILE 9 Ca -0.02 -1.17 0.00 0.00 -0.12 0.00 0.00 64.86 63.55 2giw h ILE 9 Cb 0.52 1.22 -0.02 0.00 -3.03 0.00 0.00 36.82 35.52 2giw h ILE 9 CO 0.04 0.39 -0.25 0.15 -0.68 0.00 0.00 178.15 177.79 2giw h PHE 10 N 0.57 -0.72 -0.97 1.37 3.57 -0.96 -2.93 116.94 116.86 2giw h PHE 10 Ca 0.10 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.78 2giw h PHE 10 Cb 0.60 0.30 -0.10 0.00 2.79 0.00 0.00 35.95 39.54 2giw h PHE 10 CO 0.05 -0.30 0.58 0.28 -2.23 0.00 0.00 178.31 176.69 2giw h VAL 11 N -0.41 0.76 -0.38 1.41 2.07 -0.93 0.63 116.25 119.40 2giw h VAL 11 Ca -0.01 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.35 2giw h VAL 11 Cb 0.39 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2giw h VAL 11 CO -0.10 0.14 0.28 1.56 0.02 0.00 0.00 177.57 179.47 2giw h GLN 12 N 0.79 0.00 0.00 1.57 4.20 -0.98 -3.21 115.11 117.48 2giw h GLN 12 Ca 0.54 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.25 2giw h GLN 12 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2giw h GLN 12 CO -0.35 0.00 -0.19 0.36 -0.67 0.00 0.00 178.83 177.98 2giw n LYS 13 N -4.39 0.00 0.00 1.46 0.00 0.30 -4.91 118.16 110.63 2giw n LYS 13 Ca 0.06 -0.63 0.00 0.00 -0.00 0.00 0.00 58.31 57.74 2giw n LYS 13 Cb 0.46 -0.45 0.00 0.00 -0.00 0.00 0.00 35.03 35.05 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 2.37 -1.12 0.00 0.00 -1.58 0.86 119.26 119.79 2giw h ALA 15 Ca 0.00 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.26 2giw h ALA 15 Cb 0.79 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.45 2giw h ALA 15 CO 0.00 -0.52 0.68 1.96 0.00 0.00 0.00 179.25 181.37 2giw h GLN 16 N 0.11 0.22 0.00 0.00 1.08 -1.88 -1.54 115.11 113.09 2giw h GLN 16 Ca 0.26 -0.01 -0.35 0.00 -1.45 0.00 0.00 58.65 57.09 2giw h GLN 16 Cb 0.89 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 28.20 2giw h GLN 16 CO -0.03 0.15 -2.33 0.00 -0.95 0.00 0.00 178.83 175.67 2giw n HIS 18 N -2.80 0.68 -1.56 0.00 8.25 -0.06 -2.89 115.22 116.84 2giw n HIS 18 Ca -0.33 -3.69 -0.40 0.00 -0.26 0.00 0.00 57.72 53.03 2giw n HIS 18 Cb 1.10 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 32.06 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 2.23 4.13 -2.19 1.59 -1.04 -1.18 -4.08 114.28 113.74 2giw n THR 19 Ca 0.26 -2.97 -0.31 0.00 -2.04 0.00 0.00 64.05 58.99 2giw n THR 19 Cb 0.44 -2.56 -0.05 0.00 -1.82 0.00 0.00 70.33 66.35 2giw n THR 19 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2giw s VAL 20 N 2.11 3.66 0.00 12.58 0.11 -1.26 -3.07 120.40 134.53 2giw s VAL 20 Ca 0.60 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 2giw s VAL 20 Cb 0.16 -4.64 0.00 0.00 -1.53 0.00 0.00 36.38 30.37 2giw s VAL 20 CO -0.07 -1.23 0.00 -1.84 -3.33 0.00 0.00 175.10 168.63 2giw n GLU 21 N 8.41 0.00 -4.11 1.54 0.28 -1.26 -4.99 120.64 120.51 2giw n GLU 21 Ca 0.44 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 57.23 2giw n GLU 21 Cb 0.47 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.27 2giw n GLU 21 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2giw n LYS 22 N -0.60 0.57 -1.25 3.44 2.85 -1.18 -5.04 118.16 116.96 2giw n LYS 22 Ca 0.00 -3.06 -0.43 0.00 -1.05 0.00 0.00 58.31 53.78 2giw n LYS 22 Cb 0.00 1.82 -0.05 0.00 -0.65 0.00 0.00 35.03 36.16 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 -0.49 2.93 0.00 2.58 0.00 -1.26 -4.83 105.19 104.12 2giw n GLY 23 Ca -0.03 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 4.43 0.40 3.61 -0.02 0.00 -1.26 -5.13 105.19 107.22 2giw n GLY 24 Ca 0.50 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 2giw n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2giw s LYS 25 N 0.00 0.50 -0.45 1.61 1.02 -1.26 -5.06 119.74 116.10 2giw s LYS 25 Ca 0.00 0.36 -0.03 0.00 0.02 0.00 0.00 55.97 56.32 2giw s LYS 25 Cb 0.00 0.24 0.09 0.00 -0.52 0.00 0.00 37.83 37.64 2giw s LYS 25 CO 0.00 -0.11 2.66 0.72 -0.92 0.00 0.00 175.35 177.70 2giw n HIS 26 N 1.52 1.64 0.05 3.18 8.25 -1.26 -4.67 115.22 123.92 2giw n HIS 26 Ca -0.11 -1.97 -0.03 0.00 -0.26 0.00 0.00 57.72 55.35 2giw n HIS 26 Cb 0.57 -1.33 -0.02 0.00 1.12 0.00 0.00 29.99 30.33 2giw n HIS 26 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2giw h LYS 27 N 2.80 -0.21 -0.03 -0.41 1.63 -1.98 -3.39 116.57 114.98 2giw h LYS 27 Ca 0.39 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.20 2giw h LYS 27 Cb 0.73 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 2giw h LYS 27 CO 0.88 -0.14 0.00 2.41 -3.45 0.00 0.00 179.45 179.16 2giw n THR 28 N -4.79 1.56 -3.60 1.00 -1.04 -1.26 -4.98 114.28 101.18 2giw n THR 28 Ca -0.03 -1.74 0.03 0.00 -2.04 0.00 0.00 64.05 60.28 2giw n THR 28 Cb 0.09 0.05 -0.06 0.00 -1.82 0.00 0.00 70.33 68.59 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 -2.07 0.68 0.35 3.41 0.00 -1.14 -4.85 107.32 103.70 2giw s GLY 29 Ca 0.21 3.92 -0.29 0.00 0.00 0.00 0.00 44.72 48.56 2giw s GLY 29 CO 0.03 2.86 1.50 -4.14 0.00 0.00 0.00 173.10 173.35 2giw s PRO 30 N 1.11 4.13 0.04 2.90 0.02 -1.26 -4.34 135.00 137.60 2giw s PRO 30 Ca -0.07 2.55 -0.32 0.00 0.02 0.00 0.00 61.00 63.18 2giw s PRO 30 Cb -0.02 -2.99 -0.11 0.00 0.02 0.00 0.00 34.50 31.40 2giw s PRO 30 CO -0.10 -0.54 1.86 0.09 -0.33 0.00 0.00 177.00 177.98 2giw n ASN 31 N 0.95 3.80 -2.62 2.53 4.13 -1.26 -4.76 115.26 118.03 2giw n ASN 31 Ca 0.03 0.97 -0.17 0.00 1.68 0.00 0.00 54.58 57.09 2giw n ASN 31 Cb 0.39 -1.48 -0.08 0.00 -1.54 0.00 0.00 39.78 37.07 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2giw n LEU 32 N 6.15 4.95 0.04 3.41 4.77 -1.26 -4.62 117.00 130.43 2giw n LEU 32 Ca 0.20 -2.89 -0.13 0.00 -0.03 0.00 0.00 56.01 53.16 2giw n LEU 32 Cb 0.35 -1.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.22 2giw n LEU 32 CO 0.68 1.13 0.76 0.45 -1.33 0.00 0.00 177.39 179.09 2giw h HIS 33 N 4.70 -0.04 -3.55 -1.77 3.86 -1.90 -3.39 115.15 113.06 2giw h HIS 33 Ca 0.36 -0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.92 2giw h HIS 33 Cb 0.71 0.01 -0.40 0.00 1.06 0.00 0.00 27.41 28.79 2giw h HIS 33 CO 1.73 0.16 -0.70 0.20 0.86 0.00 0.00 177.93 180.18 2giw s GLY 34 N -2.57 1.96 -0.01 2.45 0.00 -1.26 -4.34 107.32 103.55 2giw s GLY 34 Ca -0.14 -2.62 0.01 0.00 0.00 0.00 0.00 44.72 41.97 2giw s GLY 34 CO 0.66 1.04 0.80 -0.10 0.00 0.00 0.00 173.10 175.50 2giw n LEU 35 N 4.03 1.09 -3.51 0.66 7.94 -1.26 -4.65 117.00 121.30 2giw n LEU 35 Ca 0.04 -1.19 -0.18 0.00 -1.11 0.00 0.00 56.01 53.57 2giw n LEU 35 Cb 0.40 -0.03 -0.13 0.00 0.53 0.00 0.00 43.42 44.19 2giw n LEU 35 CO 0.24 0.29 -0.21 -0.36 -1.11 0.00 0.00 177.39 176.24 2giw s PHE 36 N -0.65 -0.25 0.00 1.96 0.08 -1.21 -4.51 117.98 113.40 2giw s PHE 36 Ca 0.02 0.23 0.00 0.00 0.12 0.00 0.00 56.93 57.30 2giw s PHE 36 Cb 0.02 -0.37 0.00 0.00 -0.57 0.00 0.00 43.02 42.10 2giw s PHE 36 CO 0.00 -0.58 0.00 0.41 -0.10 0.00 0.00 175.22 174.95 2giw n GLY 37 N 5.32 2.34 3.64 4.36 0.00 -1.04 -5.01 105.19 114.80 2giw n GLY 37 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.40 4.09 -0.36 1.61 3.52 -1.24 -4.96 118.95 121.21 2giw s ARG 38 Ca 0.00 1.02 -0.37 0.00 -0.13 0.00 0.00 55.73 56.25 2giw s ARG 38 Cb 0.00 -3.71 -0.13 0.00 -1.56 0.00 0.00 34.95 29.56 2giw s ARG 38 CO 0.00 -0.77 2.15 1.63 -0.81 0.00 0.00 175.30 177.50 2giw n LYS 39 N 6.55 0.95 -1.62 5.12 4.01 -1.26 -3.60 118.16 128.30 2giw n LYS 39 Ca 0.10 0.26 -0.31 0.00 -0.51 0.00 0.00 58.31 57.85 2giw n LYS 39 Cb 0.47 -2.31 0.05 0.00 -0.51 0.00 0.00 35.03 32.73 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 6.87 3.91 0.00 -0.18 2.01 0.06 -4.40 115.64 123.92 2giw s THR 40 Ca 1.10 0.62 0.00 0.00 0.31 0.00 0.00 61.69 63.72 2giw s THR 40 Cb -0.96 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 68.14 2giw s THR 40 CO 0.52 -0.81 0.00 0.61 -0.69 0.00 0.00 174.62 174.25 2giw n GLY 41 N -2.17 0.67 1.81 4.40 0.00 -1.26 -4.12 105.19 104.52 2giw n GLY 41 Ca 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2giw n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2giw n GLN 42 N -0.84 0.00 -1.43 1.61 7.27 -1.26 -4.84 117.38 117.88 2giw n GLN 42 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 57.00 57.25 2giw n GLN 42 Cb 0.44 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.03 2giw n GLN 42 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2giw n ALA 43 N -2.36 -3.77 0.05 1.69 0.00 -1.26 -4.55 120.51 110.31 2giw n ALA 43 Ca 0.00 0.66 -0.04 0.00 0.00 0.00 0.00 53.44 54.06 2giw n ALA 43 Cb 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 17.95 2giw n ALA 43 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2giw h PRO 44 N -1.39 0.00 0.00 0.00 0.13 -2.02 -3.48 132.00 125.24 2giw h PRO 44 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2giw h PRO 44 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2giw h PRO 44 CO 0.04 0.65 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 2giw n GLY 45 N 1.38 -1.36 3.38 1.56 0.00 -1.26 -5.02 105.19 103.87 2giw n GLY 45 Ca -0.05 0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.32 3.59 -0.79 1.61 7.35 -1.26 -4.77 117.46 120.87 2giw n PHE 46 Ca 0.00 -2.35 -0.08 0.00 -0.76 0.00 0.00 57.45 54.26 2giw n PHE 46 Cb 0.00 -2.51 -0.04 0.00 0.35 0.00 0.00 39.48 37.28 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 6.53 2.52 -3.05 -2.13 5.66 -1.26 -4.91 114.28 117.64 2giw n THR 47 Ca 0.48 -1.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 2giw n THR 47 Cb 0.44 -1.61 0.00 0.00 -1.55 0.00 0.00 70.33 67.62 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 1.49 -1.57 -1.88 1.09 4.11 -1.26 -4.17 117.16 114.97 2giw n TYR 48 Ca 0.21 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.76 2giw n TYR 48 Cb 0.63 0.18 0.04 0.00 -0.00 0.00 0.00 39.34 40.19 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 2.72 0.41 -3.48 -4.23 -1.26 -4.78 115.64 105.02 2giw s THR 49 Ca 0.00 0.41 0.19 0.00 -1.18 0.00 0.00 61.69 61.10 2giw s THR 49 Cb 0.00 -3.07 0.39 0.00 1.34 0.00 0.00 72.50 71.16 2giw s THR 49 CO 0.00 -0.14 1.82 -0.78 -0.54 0.00 0.00 174.62 174.99 2giw h ASP 50 N 0.53 0.41 -0.84 3.99 1.82 -1.93 0.21 116.42 120.61 2giw h ASP 50 Ca -0.49 0.05 0.01 0.00 -0.39 0.00 0.00 57.03 56.21 2giw h ASP 50 Cb 1.29 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 41.24 2giw h ASP 50 CO 0.54 0.13 0.56 0.00 -1.61 0.00 0.00 179.24 178.86 2giw h ALA 51 N 1.60 1.41 0.05 -0.78 0.00 -1.90 0.35 119.26 119.99 2giw h ALA 51 Ca 0.52 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 55.10 2giw h ALA 51 Cb 1.33 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2giw h ALA 51 CO -0.21 0.54 -1.46 -0.97 0.00 0.00 0.00 179.25 177.15 2giw h ASN 52 N 1.13 0.16 -0.52 0.00 -0.00 -1.39 -3.32 115.58 111.65 2giw h ASN 52 Ca 0.31 -0.24 -0.04 0.00 -0.00 0.00 0.00 56.30 56.34 2giw h ASN 52 Cb -0.11 -0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 38.13 2giw h ASN 52 CO -0.07 1.20 0.18 0.50 -0.00 0.00 0.00 177.43 179.24 2giw h LYS 53 N 0.03 0.79 0.00 6.67 3.64 -0.18 -0.96 116.57 126.55 2giw h LYS 53 Ca -0.20 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2giw h LYS 53 Cb 1.95 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 2giw h LYS 53 CO 0.12 0.72 0.00 -1.71 -2.27 0.00 0.00 179.45 176.31 2giw n ASN 54 N -4.50 0.57 -0.22 4.20 5.15 0.12 -3.72 115.26 116.85 2giw n ASN 54 Ca 0.02 0.74 -0.06 0.00 -0.60 0.00 0.00 54.58 54.68 2giw n ASN 54 Cb 0.18 -0.83 0.08 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 1.07 -3.80 1.20 1.63 -1.26 -3.46 116.57 111.94 2giw h LYS 55 Ca 0.00 -0.25 -0.41 0.00 -0.85 0.00 0.00 60.65 59.14 2giw h LYS 55 Cb 0.07 -0.14 0.02 0.00 -0.60 0.00 0.00 32.23 31.57 2giw h LYS 55 CO 0.00 0.95 -0.57 0.41 -3.45 0.00 0.00 179.45 176.79 2giw n GLY 56 N -0.70 -0.51 0.00 5.01 0.00 -1.24 -5.00 105.19 102.75 2giw n GLY 56 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.24 0.00 -2.61 -0.61 -5.35 -1.26 -4.89 119.36 100.41 2giw n ILE 57 Ca -0.18 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2giw n ILE 57 Cb 0.65 0.00 0.04 0.00 -1.74 0.00 0.00 39.64 38.59 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 0.51 -1.46 7.28 -1.04 -1.26 -0.76 114.28 117.55 2giw n THR 58 Ca 0.00 -1.63 -0.07 0.00 -2.04 0.00 0.00 64.05 60.30 2giw n THR 58 Cb 0.00 1.06 0.01 0.00 -1.82 0.00 0.00 70.33 69.57 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 -0.45 -0.49 -3.40 -1.42 7.02 -1.24 -2.51 117.44 114.95 2giw n TRP 59 Ca -0.03 0.21 -0.20 0.00 -1.02 0.00 0.00 57.50 56.45 2giw n TRP 59 Cb 0.89 -0.33 -0.00 0.00 -2.42 0.00 0.00 31.31 29.45 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 -0.46 3.16 0.29 -0.99 0.00 -1.26 -3.32 119.74 117.17 2giw s LYS 60 Ca 0.07 -0.81 -0.01 0.00 0.00 0.00 0.00 55.97 55.23 2giw s LYS 60 Cb -0.01 -2.75 0.66 0.00 0.00 0.00 0.00 37.83 35.73 2giw s LYS 60 CO 0.16 0.02 1.59 0.93 0.00 0.00 0.00 175.35 178.05 2giw h GLU 61 N 0.79 0.04 0.30 1.78 5.08 -1.93 0.80 114.58 121.44 2giw h GLU 61 Ca -0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2giw h GLU 61 Cb 1.25 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 2giw h GLU 61 CO 0.55 0.03 -0.35 0.93 -1.00 0.00 0.00 179.01 179.16 2giw h GLU 62 N 0.04 -0.68 -0.20 2.33 5.08 -1.99 0.21 114.58 119.37 2giw h GLU 62 Ca 0.55 0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.79 2giw h GLU 62 Cb 1.07 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2giw h GLU 62 CO -0.86 -0.45 -0.56 1.79 -1.00 0.00 0.00 179.01 177.93 2giw h THR 63 N -0.70 1.31 -0.41 1.13 1.35 -1.58 -2.11 112.91 111.90 2giw h THR 63 Ca -0.01 -1.80 0.02 0.00 -0.55 0.00 0.00 66.41 64.07 2giw h THR 63 Cb 0.65 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 68.80 2giw h THR 63 CO -0.09 0.56 0.23 -0.07 -0.25 0.00 0.00 175.52 175.90 2giw h LEU 64 N 0.47 0.36 -0.38 3.87 3.38 -0.73 -0.71 115.31 121.56 2giw h LEU 64 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2giw h LEU 64 Cb 1.11 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2giw h LEU 64 CO 0.11 0.26 0.25 -0.03 0.09 0.00 0.00 178.44 179.12 2giw h MET 65 N 0.46 0.51 -0.10 1.13 4.05 -0.60 -0.22 114.93 120.16 2giw h MET 65 Ca 0.17 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.59 2giw h MET 65 Cb 0.04 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.67 2giw h MET 65 CO -0.09 0.35 -0.18 1.49 0.23 0.00 0.00 176.91 178.70 2giw h GLU 66 N 0.52 -0.24 0.66 0.39 4.57 -1.17 -0.19 114.58 119.12 2giw h GLU 66 Ca 0.14 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 2giw h GLU 66 Cb -0.05 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2giw h GLU 66 CO -0.03 -0.16 -0.37 -0.92 -1.18 0.00 0.00 179.01 176.35 2giw h TYR 67 N -0.25 -0.97 -0.35 0.92 3.20 -0.72 -0.93 116.97 117.87 2giw h TYR 67 Ca 0.09 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2giw h TYR 67 Cb 0.37 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 2giw h TYR 67 CO -0.28 -0.57 0.17 -0.07 -1.64 0.00 0.00 178.16 175.77 2giw h LEU 68 N -0.96 0.43 -0.15 2.82 -0.00 -1.01 0.13 115.31 116.58 2giw h LEU 68 Ca -0.08 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2giw h LEU 68 Cb 0.76 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 2giw h LEU 68 CO 0.11 0.37 0.09 -0.08 -0.00 0.00 0.00 178.44 178.93 2giw h GLU 69 N 0.49 0.20 -1.31 1.13 4.81 -0.71 -3.42 114.58 115.77 2giw h GLU 69 Ca 0.13 -0.02 -0.32 0.00 -0.13 0.00 0.00 59.36 59.01 2giw h GLU 69 Cb 0.05 -0.04 -0.24 0.00 0.63 0.00 0.00 28.75 29.15 2giw h GLU 69 CO -0.02 0.18 -0.69 -1.71 -0.73 0.00 0.00 179.01 176.05 2giw n ASN 70 N -4.95 -2.19 -0.11 1.04 4.05 -0.38 -4.89 115.26 107.83 2giw n ASN 70 Ca -0.04 -2.81 -0.12 0.00 0.45 0.00 0.00 54.58 52.06 2giw n ASN 70 Cb 0.05 0.89 -0.03 0.00 1.23 0.00 0.00 39.78 41.93 2giw n ASN 70 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2giw h PRO 71 N 4.91 0.64 0.00 1.20 0.13 -0.99 0.06 132.00 137.94 2giw h PRO 71 Ca 0.08 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2giw h PRO 71 Cb 1.02 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2giw h PRO 71 CO 0.21 0.83 0.00 1.17 -0.23 0.00 0.00 178.00 179.98 2giw n LYS 72 N -4.42 0.08 -0.11 0.86 4.81 -1.26 -1.42 118.16 116.71 2giw n LYS 72 Ca -0.03 0.48 -0.20 0.00 -0.87 0.00 0.00 58.31 57.70 2giw n LYS 72 Cb 0.35 -1.72 -0.08 0.00 0.02 0.00 0.00 35.03 33.61 2giw n LYS 72 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2giw n LYS 73 N -1.88 0.55 -0.22 1.64 3.00 -0.21 -4.42 118.16 116.61 2giw n LYS 73 Ca 0.01 0.37 0.02 0.00 -0.00 0.00 0.00 58.31 58.70 2giw n LYS 73 Cb 0.09 -1.57 0.11 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 -0.12 -3.31 5.64 3.20 -0.82 -3.38 116.97 117.18 2giw h TYR 74 Ca -0.36 0.05 -0.66 0.00 3.14 0.00 0.00 58.73 60.90 2giw h TYR 74 Cb 1.24 0.16 -0.28 0.00 1.54 0.00 0.00 36.73 39.39 2giw h TYR 74 CO -0.14 -0.22 -0.77 0.42 -1.64 0.00 0.00 178.16 175.82 2giw s ILE 75 N -6.16 3.02 -1.16 1.81 1.01 -0.50 -5.05 121.20 114.16 2giw s ILE 75 Ca -0.14 -0.65 -0.20 0.00 0.00 0.00 0.00 60.65 59.66 2giw s ILE 75 Cb 0.20 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 2giw s ILE 75 CO 0.74 0.50 1.92 -0.81 0.00 0.00 0.00 174.94 177.29 2giw n PRO 76 N 3.93 2.17 -0.49 2.79 -0.04 -1.26 -3.88 135.00 138.22 2giw n PRO 76 Ca -0.18 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.70 2giw n PRO 76 Cb 0.52 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.54 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 5.21 0.58 3.81 0.55 0.00 -1.26 -4.88 105.19 109.20 2giw n GLY 77 Ca 0.48 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.32 3.92 0.34 2.61 -1.32 -1.25 -4.66 115.64 112.95 2giw s THR 78 Ca 0.00 0.62 0.24 0.00 -1.21 0.00 0.00 61.69 61.34 2giw s THR 78 Cb 0.00 -3.33 0.24 0.00 -1.51 0.00 0.00 72.50 67.90 2giw s THR 78 CO 0.00 -0.81 1.96 0.50 -2.21 0.00 0.00 174.62 174.06 2giw h LYS 79 N -0.78 0.00 -6.94 7.08 3.64 -1.98 -3.46 116.57 114.14 2giw h LYS 79 Ca -0.44 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.41 2giw h LYS 79 Cb 1.21 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 33.13 2giw h LYS 79 CO 0.56 0.20 0.72 1.41 -2.27 0.00 0.00 179.45 180.06 2giw s MET 80 N -4.06 4.08 -0.53 1.90 1.75 -1.26 -4.98 119.30 116.20 2giw s MET 80 Ca -0.02 2.43 0.04 0.00 -1.25 0.00 0.00 55.69 56.89 2giw s MET 80 Cb 0.13 -2.92 0.14 0.00 2.84 0.00 0.00 34.83 35.01 2giw s MET 80 CO 0.62 -0.50 0.28 0.42 -0.65 0.00 0.00 175.02 175.20 2giw s ILE 81 N -1.15 2.47 0.22 10.11 -1.09 -1.26 -4.91 121.20 125.59 2giw s ILE 81 Ca 0.54 -3.35 -0.18 0.00 -2.23 0.00 0.00 60.65 55.43 2giw s ILE 81 Cb -0.44 -2.71 0.02 0.00 -1.58 0.00 0.00 42.46 37.76 2giw s ILE 81 CO 0.58 -0.84 0.56 0.12 -1.23 0.00 0.00 174.94 174.14 2giw s PHE 82 N -0.36 -0.09 0.00 3.97 5.36 -1.26 -5.08 117.98 120.53 2giw s PHE 82 Ca 0.18 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 2giw s PHE 82 Cb -0.23 0.44 0.00 0.00 -0.34 0.00 0.00 43.02 42.89 2giw s PHE 82 CO -0.02 -0.99 0.00 0.00 -1.46 0.00 0.00 175.22 172.75 2giw n ALA 83 N -0.37 0.00 -3.62 11.12 0.00 -1.26 -4.66 120.51 121.71 2giw n ALA 83 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 2giw n ALA 83 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.66 -0.37 0.00 0.00 0.00 -1.26 -4.74 107.32 99.29 2giw s GLY 84 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.96 2giw s GLY 84 CO 0.00 0.08 0.00 4.51 0.00 0.00 0.00 173.10 177.69 2giw n ILE 85 N -0.40 0.00 0.00 0.90 3.06 -1.26 -5.07 119.36 116.59 2giw n ILE 85 Ca -0.10 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.15 2giw n ILE 85 Cb 0.62 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.80 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 -1.07 0.00 0.11 9.51 4.81 -1.26 -5.09 118.16 125.17 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 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 -1.49 0.00 0.00 1.64 3.00 -1.26 -5.06 118.16 114.99 2giw n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2giw n LYS 87 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2giw n LYS 87 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2giw n LYS 88 N -3.01 0.00 -0.25 1.64 4.01 -1.26 -4.97 118.16 114.33 2giw n LYS 88 Ca 0.00 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.86 2giw n LYS 88 Cb 0.00 -0.05 0.19 0.00 -0.51 0.00 0.00 35.03 34.66 2giw n LYS 88 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 2giw h THR 89 N 0.00 0.53 -0.99 -0.18 2.02 -2.01 0.32 112.91 112.60 2giw h THR 89 Ca 0.00 -0.10 0.28 0.00 0.77 0.00 0.00 66.41 67.36 2giw h THR 89 Cb 0.00 0.21 -0.18 0.00 -1.74 0.00 0.00 68.15 66.44 2giw h THR 89 CO 0.00 0.05 0.06 -1.84 0.37 0.00 0.00 175.52 174.16 2giw n GLU 90 N -5.14 -0.08 0.28 6.66 -0.00 -1.26 -0.80 120.64 120.31 2giw n GLU 90 Ca 0.14 1.48 0.19 0.00 -0.00 0.00 0.00 57.16 58.97 2giw n GLU 90 Cb 0.46 -2.37 0.89 0.00 -0.00 0.00 0.00 31.44 30.43 2giw n GLU 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2giw h ARG 91 N 0.00 0.00 0.02 3.44 2.43 -0.73 0.51 114.38 120.05 2giw h ARG 91 Ca 0.62 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 59.44 2giw h ARG 91 Cb 1.31 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.82 2giw h ARG 91 CO -0.92 0.00 -1.93 -1.91 -1.51 0.00 0.00 179.97 173.70 2giw n GLU 92 N -2.95 0.61 0.12 0.20 4.07 0.02 -4.18 120.64 118.54 2giw n GLU 92 Ca -0.01 0.38 -0.13 0.00 -0.06 0.00 0.00 57.16 57.34 2giw n GLU 92 Cb 0.18 -1.63 -0.06 0.00 -0.06 0.00 0.00 31.44 29.86 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 -0.73 -0.90 -0.40 4.31 3.32 -0.13 0.21 116.42 122.10 2giw h ASP 93 Ca -0.50 0.10 0.08 0.00 0.02 0.00 0.00 57.03 56.73 2giw h ASP 93 Cb 1.58 0.34 -0.09 0.00 0.22 0.00 0.00 39.33 41.38 2giw h ASP 93 CO -0.23 -0.40 -0.19 -0.07 -1.72 0.00 0.00 179.24 176.63 2giw h LEU 94 N -0.54 -0.66 0.00 1.55 -0.00 -1.20 0.47 115.31 114.93 2giw h LEU 94 Ca 0.03 0.15 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 2giw h LEU 94 Cb 0.57 0.36 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 2giw h LEU 94 CO -0.18 -0.22 0.00 -0.38 -0.00 0.00 0.00 178.44 177.66 2giw n ILE 95 N -5.37 0.00 -0.13 1.22 2.08 -0.78 -1.07 119.36 115.30 2giw n ILE 95 Ca 0.02 0.00 -0.24 0.00 0.56 0.00 0.00 62.75 63.09 2giw n ILE 95 Cb 0.28 -0.44 -0.11 0.00 -0.75 0.00 0.00 39.64 38.63 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 -0.86 1.30 0.41 -1.39 0.00 0.68 -4.04 120.51 116.61 2giw n ALA 96 Ca 0.15 -1.09 -0.18 0.00 0.00 0.00 0.00 53.44 52.32 2giw n ALA 96 Cb 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.52 -1.17 0.00 0.00 3.20 -0.78 -3.18 116.97 114.52 2giw h TYR 97 Ca -0.64 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.21 2giw h TYR 97 Cb 1.75 0.41 -0.00 0.00 1.54 0.00 0.00 36.73 40.43 2giw h TYR 97 CO -0.03 -0.67 -0.01 -0.07 -1.64 0.00 0.00 178.16 175.74 2giw h LEU 98 N -1.12 0.00 -2.39 2.82 3.38 -1.33 0.16 115.31 116.83 2giw h LEU 98 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2giw h LEU 98 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2giw h LEU 98 CO 0.12 0.01 -0.02 0.50 0.09 0.00 0.00 178.44 179.15 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.64 -1.69 -1.59 116.57 118.06 2giw h LYS 99 Ca -0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 2giw h LYS 99 Cb 0.04 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.80 2giw h LYS 99 CO 0.00 0.02 -2.31 1.17 -2.27 0.00 0.00 179.45 176.05 2giw n LYS 100 N -3.83 0.65 -0.35 1.90 4.81 0.21 -4.63 118.16 116.91 2giw n LYS 100 Ca -0.03 0.11 0.01 0.00 -0.87 0.00 0.00 58.31 57.54 2giw n LYS 100 Cb 0.10 -1.47 0.17 0.00 0.02 0.00 0.00 35.03 33.86 2giw n LYS 100 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2giw h ALA 101 N 0.13 1.39 -0.03 3.14 0.00 -0.07 0.20 119.26 124.02 2giw h ALA 101 Ca -0.52 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.36 2giw h ALA 101 Cb 1.85 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2giw h ALA 101 CO -0.06 0.50 0.04 1.79 0.00 0.00 0.00 179.25 181.51 2giw h THR 102 N 1.20 0.45 -1.85 0.00 1.35 -1.51 -2.90 112.91 109.66 2giw h THR 102 Ca 0.40 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.74 2giw h THR 102 Cb 0.06 0.97 -0.41 0.00 -1.73 0.00 0.00 68.15 67.04 2giw h THR 102 CO -0.14 0.00 -0.93 -3.20 -0.25 0.00 0.00 175.52 171.00 2giw n ASN 103 N -3.75 2.82 -0.21 5.36 5.15 0.61 -4.67 115.26 120.58 2giw n ASN 103 Ca -0.02 -3.31 0.03 0.00 -0.60 0.00 0.00 54.58 50.68 2giw n ASN 103 Cb 0.12 -0.56 0.02 0.00 -0.53 0.00 0.00 39.78 38.84 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82