#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 -0.36 0.17 1.61 2.15 -1.26 -4.74 116.67 114.24 2giw s ASP 2 Ca 0.00 -0.34 -0.14 0.00 0.43 0.00 0.00 52.55 52.50 2giw s ASP 2 Cb 0.00 0.63 0.12 0.00 -0.30 0.00 0.00 42.92 43.37 2giw s ASP 2 CO 0.00 -1.12 1.77 0.58 -0.17 0.00 0.00 175.17 176.23 2giw h VAL 3 N 2.00 0.92 0.14 1.11 2.07 -1.87 0.25 116.25 120.88 2giw h VAL 3 Ca -0.25 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2giw h VAL 3 Cb 1.27 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2giw h VAL 3 CO 0.29 0.07 -0.07 -0.33 0.02 0.00 0.00 177.57 177.55 2giw h GLU 4 N 0.41 -0.19 -0.47 1.57 4.39 -1.96 0.25 114.58 118.58 2giw h GLU 4 Ca 0.21 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.96 2giw h GLU 4 Cb 0.15 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 2giw h GLU 4 CO -0.17 -0.05 0.24 0.87 -1.16 0.00 0.00 179.01 178.74 2giw h LYS 5 N -0.29 0.45 0.66 2.33 1.57 -1.92 -2.38 116.57 117.00 2giw h LYS 5 Ca -0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2giw h LYS 5 Cb 0.23 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.44 2giw h LYS 5 CO 0.03 0.30 -0.32 0.78 -0.57 0.00 0.00 179.45 179.67 2giw h GLY 6 N 0.47 -0.93 2.00 3.86 0.00 0.17 0.10 103.07 108.74 2giw h GLY 6 Ca 0.20 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.88 2giw h GLY 6 CO -0.14 -0.34 0.00 0.07 0.00 0.00 0.00 176.54 176.13 2giw h LYS 7 N -0.91 0.00 0.00 4.80 2.10 -0.96 0.10 116.57 121.71 2giw h LYS 7 Ca -0.09 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.48 2giw h LYS 7 Cb 0.69 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.01 2giw h LYS 7 CO 0.15 0.00 -0.71 -0.22 -2.00 0.00 0.00 179.45 176.67 2giw h LYS 8 N 0.00 0.00 -0.47 0.07 1.63 -0.82 -3.25 116.57 113.72 2giw h LYS 8 Ca 0.00 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.67 2giw h LYS 8 Cb 0.11 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 2giw h LYS 8 CO 0.00 0.36 -0.21 0.82 -3.45 0.00 0.00 179.45 176.98 2giw h ILE 9 N -1.00 1.27 0.04 2.00 5.03 -0.65 0.14 117.51 124.33 2giw h ILE 9 Ca -0.12 -1.36 0.01 0.00 -0.12 0.00 0.00 64.86 63.27 2giw h ILE 9 Cb 0.75 1.12 -0.02 0.00 -3.03 0.00 0.00 36.82 35.64 2giw h ILE 9 CO -0.07 0.47 -0.24 0.15 -0.68 0.00 0.00 178.15 177.78 2giw h PHE 10 N 0.82 -0.69 -0.77 1.37 3.57 -1.16 -2.23 116.94 117.84 2giw h PHE 10 Ca 0.11 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.75 2giw h PHE 10 Cb 0.77 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 2giw h PHE 10 CO 0.05 -0.27 0.51 0.28 -2.23 0.00 0.00 178.31 176.65 2giw h VAL 11 N -0.33 0.88 -0.06 1.41 2.07 -1.53 0.58 116.25 119.27 2giw h VAL 11 Ca -0.00 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.33 2giw h VAL 11 Cb 0.34 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2giw h VAL 11 CO -0.14 0.11 0.07 -0.61 0.02 0.00 0.00 177.57 177.02 2giw h GLN 12 N 0.59 0.00 0.00 1.57 -0.00 -0.39 -3.31 115.11 113.57 2giw h GLN 12 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.02 2giw h GLN 12 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.10 2giw h GLN 12 CO -0.14 0.00 0.00 0.36 0.00 0.00 0.00 178.83 179.05 2giw n LYS 13 N -3.80 0.00 -0.03 1.69 0.00 -0.01 -4.95 118.16 111.06 2giw n LYS 13 Ca -0.01 -0.14 -0.05 0.00 -0.00 0.00 0.00 58.31 58.11 2giw n LYS 13 Cb 0.17 -0.34 -0.02 0.00 -0.00 0.00 0.00 35.03 34.84 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 -0.12 2.52 -1.04 0.00 0.00 -1.63 0.12 119.26 119.11 2giw h ALA 15 Ca -0.13 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.03 2giw h ALA 15 Cb 1.15 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 2giw h ALA 15 CO -0.06 -0.78 0.67 0.37 0.00 0.00 0.00 179.25 179.45 2giw h GLN 16 N 0.17 0.39 0.00 0.00 4.15 -1.86 -1.46 115.11 116.51 2giw h GLN 16 Ca 0.42 -0.02 -0.32 0.00 0.77 0.00 0.00 58.65 59.49 2giw h GLN 16 Cb 1.38 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.92 2giw h GLN 16 CO -0.08 0.25 -2.33 0.00 -1.93 0.00 0.00 178.83 174.75 2giw n HIS 18 N -2.69 1.18 -1.61 0.00 8.25 0.13 -2.89 115.22 117.59 2giw n HIS 18 Ca -0.29 -3.79 -0.42 0.00 -0.26 0.00 0.00 57.72 52.96 2giw n HIS 18 Cb 1.09 -0.38 -0.01 0.00 1.12 0.00 0.00 29.99 31.81 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 1.40 3.14 -2.40 1.59 -1.04 -1.00 -4.09 114.28 111.87 2giw n THR 19 Ca 0.25 -2.73 -0.39 0.00 -2.04 0.00 0.00 64.05 59.13 2giw n THR 19 Cb 0.47 -2.55 -0.03 0.00 -1.82 0.00 0.00 70.33 66.40 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 3.54 3.65 -0.34 12.58 0.11 -1.26 -4.43 120.40 134.25 2giw s VAL 20 Ca 0.49 0.12 0.10 0.00 -2.93 0.00 0.00 61.98 59.76 2giw s VAL 20 Cb 0.14 -4.65 0.36 0.00 -1.53 0.00 0.00 36.38 30.69 2giw s VAL 20 CO -0.05 -1.59 1.39 1.21 -3.33 0.00 0.00 175.10 172.73 2giw n GLU 21 N 9.22 1.16 -4.15 1.54 2.13 -1.26 -4.99 120.64 124.29 2giw n GLU 21 Ca 0.14 -1.31 -0.32 0.00 0.66 0.00 0.00 57.16 56.33 2giw n GLU 21 Cb 0.50 0.22 -0.06 0.00 0.27 0.00 0.00 31.44 32.36 2giw n GLU 21 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2giw n LYS 22 N -1.07 -0.77 0.00 5.31 2.85 -1.26 -4.73 118.16 118.49 2giw n LYS 22 Ca -0.12 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 2giw n LYS 22 Cb 0.83 -3.01 0.00 0.00 -0.65 0.00 0.00 35.03 32.20 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 -2.35 -1.81 0.00 2.58 0.00 -1.26 -5.17 105.19 97.18 2giw n GLY 23 Ca -0.25 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 2.18 1.05 -0.02 0.00 -1.26 -5.06 105.19 102.08 2giw n GLY 24 Ca 0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 2giw n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2giw n LYS 25 N 0.00 0.39 0.00 1.61 2.85 -1.26 -5.09 118.16 116.66 2giw n LYS 25 Ca 0.00 -1.09 0.00 0.00 -1.05 0.00 0.00 58.31 56.17 2giw n LYS 25 Cb 0.00 0.78 0.00 0.00 -0.65 0.00 0.00 35.03 35.16 2giw n LYS 25 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2giw n HIS 26 N -0.24 0.00 -1.44 5.58 8.25 -1.26 -4.27 115.22 121.84 2giw n HIS 26 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2giw n HIS 26 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 0.00 0.00 -1.50 -0.41 4.81 -1.26 -4.51 118.16 115.29 2giw n LYS 27 Ca 0.00 0.48 -0.09 0.00 -0.87 0.00 0.00 58.31 57.83 2giw n LYS 27 Cb 0.00 -1.44 -0.03 0.00 0.02 0.00 0.00 35.03 33.58 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 -0.72 -0.11 -3.65 3.15 -1.04 -1.26 -4.38 114.28 106.26 2giw n THR 28 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 2giw n THR 28 Cb 0.24 -1.27 -0.06 0.00 -1.82 0.00 0.00 70.33 67.42 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 -2.82 0.58 0.12 3.41 0.00 -1.14 -4.87 107.32 102.60 2giw s GLY 29 Ca 0.00 3.79 -0.30 0.00 0.00 0.00 0.00 44.72 48.20 2giw s GLY 29 CO 0.00 2.56 1.13 2.56 0.00 0.00 0.00 173.10 179.35 2giw s PRO 30 N 0.76 4.52 0.02 2.90 0.04 -1.26 -4.33 135.00 137.65 2giw s PRO 30 Ca -0.04 1.72 -0.35 0.00 0.04 0.00 0.00 61.00 62.37 2giw s PRO 30 Cb -0.03 -3.32 -0.14 0.00 0.04 0.00 0.00 34.50 31.06 2giw s PRO 30 CO -0.11 -0.07 1.68 0.27 0.04 0.00 0.00 177.00 178.81 2giw n ASN 31 N 3.07 3.00 -2.64 6.66 6.94 -1.26 -4.80 115.26 126.24 2giw n ASN 31 Ca 0.05 1.04 -0.21 0.00 -0.02 0.00 0.00 54.58 55.45 2giw n ASN 31 Cb 0.47 -1.35 -0.09 0.00 -2.36 0.00 0.00 39.78 36.44 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2giw n LEU 32 N 4.72 5.91 -3.73 -4.53 4.77 -1.26 -4.81 117.00 118.06 2giw n LEU 32 Ca 0.20 -3.30 -0.42 0.00 -0.03 0.00 0.00 56.01 52.46 2giw n LEU 32 Cb 0.26 -1.30 -0.00 0.00 -2.33 0.00 0.00 43.42 40.05 2giw n LEU 32 CO 0.69 1.48 2.63 1.57 -1.33 0.00 0.00 177.39 182.43 2giw n HIS 33 N 3.15 3.45 -0.04 -1.77 -0.00 -1.26 -4.43 115.22 114.32 2giw n HIS 33 Ca 0.51 -2.96 0.00 0.00 0.46 0.00 0.00 57.72 55.73 2giw n HIS 33 Cb 0.51 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 27.88 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 3.95 0.68 0.57 1.57 0.00 -1.26 -5.08 105.19 105.63 2giw n GLY 34 Ca 0.51 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.49 0.99 4.77 -1.26 -4.77 117.00 112.24 2giw n LEU 35 Ca 0.00 0.00 -0.54 0.00 -0.03 0.00 0.00 56.01 55.44 2giw n LEU 35 Cb 0.00 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 2giw n LEU 35 CO 0.00 -0.36 1.67 0.49 -1.33 0.00 0.00 177.39 177.86 2giw n PHE 36 N -2.10 1.67 -0.46 -1.77 3.72 -1.05 -0.34 117.46 117.13 2giw n PHE 36 Ca 0.00 0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 2giw n PHE 36 Cb 0.00 -2.48 0.00 0.00 -0.94 0.00 0.00 39.48 36.06 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 6.08 0.75 3.23 1.37 0.00 -0.40 -5.02 105.19 111.20 2giw n GLY 37 Ca 0.39 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.54 3.17 -0.15 1.61 3.52 0.54 -5.02 118.95 122.08 2giw s ARG 38 Ca 0.00 -0.74 -0.29 0.00 -0.13 0.00 0.00 55.73 54.57 2giw s ARG 38 Cb 0.00 -2.85 -0.05 0.00 -1.56 0.00 0.00 34.95 30.49 2giw s ARG 38 CO 0.00 -0.23 1.98 -1.59 -0.81 0.00 0.00 175.30 174.65 2giw s LYS 39 N 1.39 3.59 0.00 5.12 0.00 -1.26 -3.71 119.74 124.87 2giw s LYS 39 Ca 0.05 2.08 0.00 0.00 0.00 0.00 0.00 55.97 58.10 2giw s LYS 39 Cb -0.14 -4.22 0.00 0.00 0.00 0.00 0.00 37.83 33.47 2giw s LYS 39 CO -0.07 -1.57 0.00 -2.37 0.00 0.00 0.00 175.35 171.34 2giw n THR 40 N 6.78 0.00 -1.16 3.79 5.66 0.03 -4.53 114.28 124.84 2giw n THR 40 Ca 0.24 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.18 2giw n THR 40 Cb 0.44 -1.91 -0.02 0.00 -1.55 0.00 0.00 70.33 67.29 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 4.77 0.81 3.15 1.09 0.00 -1.26 -4.23 105.19 109.52 2giw n GLY 41 Ca 0.00 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.29 2giw n GLY 41 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2giw s GLN 42 N -2.43 0.28 0.06 1.61 -2.07 -1.26 -4.82 119.66 111.03 2giw s GLN 42 Ca 0.00 0.31 0.09 0.00 -1.82 0.00 0.00 55.36 53.95 2giw s GLN 42 Cb 0.00 0.15 -0.03 0.00 -1.09 0.00 0.00 33.01 32.04 2giw s GLN 42 CO 0.00 -0.48 -0.25 0.00 -1.32 0.00 0.00 175.29 173.24 2giw s ALA 43 N 2.92 2.32 -1.02 2.60 0.00 -1.26 -5.04 121.76 122.28 2giw s ALA 43 Ca 0.19 -1.29 -0.20 0.00 0.00 0.00 0.00 51.96 50.66 2giw s ALA 43 Cb -0.06 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.48 2giw s ALA 43 CO -0.22 0.54 2.00 -0.35 0.00 0.00 0.00 175.76 177.73 2giw n PRO 44 N 1.62 1.96 0.00 0.00 -0.04 -1.26 -4.27 135.00 133.01 2giw n PRO 44 Ca -0.17 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 2giw n PRO 44 Cb 0.52 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 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 4.55 0.91 3.51 0.55 0.00 -1.26 -4.98 105.19 108.46 2giw n GLY 45 Ca 0.50 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2giw n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2giw n PHE 46 N 0.00 4.35 -0.93 1.61 7.35 -1.26 -4.76 117.46 123.81 2giw n PHE 46 Ca 0.00 -2.69 -0.15 0.00 -0.76 0.00 0.00 57.45 53.85 2giw n PHE 46 Cb 0.00 -2.62 -0.00 0.00 0.35 0.00 0.00 39.48 37.20 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 6.45 2.74 -3.77 -2.13 5.66 -1.26 -4.78 114.28 117.19 2giw n THR 47 Ca 0.49 -1.65 0.04 0.00 -3.05 0.00 0.00 64.05 59.87 2giw n THR 47 Cb 0.45 -1.47 -0.01 0.00 -1.55 0.00 0.00 70.33 67.76 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 0.84 -2.10 -2.25 1.09 4.01 -1.26 -4.08 117.16 113.41 2giw n TYR 48 Ca 0.29 0.34 -0.35 0.00 -0.16 0.00 0.00 57.90 58.02 2giw n TYR 48 Cb 0.59 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 -0.49 3.17 0.18 -0.72 -4.23 -1.26 -4.79 115.64 107.50 2giw s THR 49 Ca 0.00 0.72 0.05 0.00 -1.18 0.00 0.00 61.69 61.29 2giw s THR 49 Cb 0.00 -3.29 0.21 0.00 1.34 0.00 0.00 72.50 70.77 2giw s THR 49 CO 0.00 -0.16 0.86 -0.90 -0.54 0.00 0.00 174.62 173.87 2giw n ASP 50 N -1.33 0.04 -0.30 3.99 5.75 -1.26 -0.61 116.55 122.83 2giw n ASP 50 Ca 0.12 0.92 -0.04 0.00 -0.01 0.00 0.00 54.79 55.78 2giw n ASP 50 Cb 0.51 -0.38 0.08 0.00 -1.03 0.00 0.00 41.12 40.30 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 1.09 1.05 0.06 2.12 0.00 -1.92 0.38 119.26 122.05 2giw h ALA 51 Ca 0.39 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.93 2giw h ALA 51 Cb 0.91 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2giw h ALA 51 CO -0.47 0.46 -1.65 -0.97 0.00 0.00 0.00 179.25 176.62 2giw h ASN 52 N 1.12 0.21 -0.85 0.00 -1.24 -1.39 -3.34 115.58 110.09 2giw h ASN 52 Ca 0.30 -0.37 0.13 0.00 0.71 0.00 0.00 56.30 57.07 2giw h ASN 52 Cb -0.13 -0.07 -0.09 0.00 0.73 0.00 0.00 38.32 38.77 2giw h ASN 52 CO -0.07 1.32 0.47 0.50 -1.29 0.00 0.00 177.43 178.36 2giw h LYS 53 N 0.04 0.70 0.00 6.67 3.64 -0.57 0.12 116.57 127.16 2giw h LYS 53 Ca -0.28 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 2giw h LYS 53 Cb 2.00 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.66 2giw h LYS 53 CO 0.11 0.46 -0.09 -0.97 -2.27 0.00 0.00 179.45 176.69 2giw h ASN 54 N 0.72 0.00 0.37 4.20 -0.73 -0.36 -3.38 115.58 116.39 2giw h ASN 54 Ca 0.44 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.60 2giw h ASN 54 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.13 2giw h ASN 54 CO -0.31 0.09 -0.18 0.50 -0.37 0.00 0.00 177.43 177.16 2giw h LYS 55 N 0.00 -0.47 -5.14 6.67 1.63 -1.08 -3.49 116.57 114.68 2giw h LYS 55 Ca -0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2giw h LYS 55 Cb 0.28 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2giw h LYS 55 CO 0.01 -0.21 -0.24 0.41 -3.45 0.00 0.00 179.45 175.97 2giw n GLY 56 N 0.26 -1.22 3.20 5.01 0.00 -1.26 -4.99 105.19 106.20 2giw n GLY 56 Ca -0.08 0.81 -0.12 0.00 0.00 0.00 0.00 46.02 46.64 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 -2.73 0.56 -0.63 -0.61 -4.36 -1.26 -4.89 121.20 107.28 2giw s ILE 57 Ca 0.12 -1.95 0.07 0.00 -0.26 0.00 0.00 60.65 58.63 2giw s ILE 57 Cb -0.03 -1.97 0.40 0.00 1.25 0.00 0.00 42.46 42.10 2giw s ILE 57 CO 0.70 -0.60 1.11 0.41 0.24 0.00 0.00 174.94 176.80 2giw n THR 58 N -0.15 1.35 -3.85 8.37 -1.04 -1.26 -0.79 114.28 116.91 2giw n THR 58 Ca -0.08 -0.68 -0.17 0.00 -2.04 0.00 0.00 64.05 61.08 2giw n THR 58 Cb 0.63 -0.40 0.01 0.00 -1.82 0.00 0.00 70.33 68.74 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 0.29 -0.48 -2.04 -1.42 5.03 -1.24 -1.28 117.44 116.30 2giw n TRP 59 Ca 0.14 0.02 -0.28 0.00 3.03 0.00 0.00 57.50 60.41 2giw n TRP 59 Cb 0.72 -0.97 0.11 0.00 -1.03 0.00 0.00 31.31 30.14 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 -5.87 1.61 0.00 -0.99 0.00 -1.26 -2.53 119.74 110.71 2giw s LYS 60 Ca 0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 55.97 55.88 2giw s LYS 60 Cb -0.10 -2.00 -0.16 0.00 0.00 0.00 0.00 37.83 35.57 2giw s LYS 60 CO 0.35 -1.73 2.77 -0.85 0.00 0.00 0.00 175.35 175.89 2giw n GLU 61 N -3.31 1.48 0.08 1.78 0.28 -1.26 -2.40 120.64 117.29 2giw n GLU 61 Ca 0.11 -0.59 0.00 0.00 -0.16 0.00 0.00 57.16 56.52 2giw n GLU 61 Cb 0.60 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 31.83 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 2.22 0.00 -0.15 3.44 1.02 -1.26 -4.76 120.64 121.15 2giw n GLU 62 Ca 0.25 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.34 2giw n GLU 62 Cb 0.69 -0.03 0.12 0.00 -0.02 0.00 0.00 31.44 32.20 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 -1.92 -1.31 112.91 114.22 2giw h THR 63 Ca 0.00 -1.03 0.05 0.00 -0.55 0.00 0.00 66.41 64.88 2giw h THR 63 Cb 0.00 0.81 -0.05 0.00 -1.73 0.00 0.00 68.15 67.18 2giw h THR 63 CO 0.00 0.37 0.39 -0.07 -0.25 0.00 0.00 175.52 175.96 2giw h LEU 64 N 0.84 0.60 -0.15 3.87 3.38 -1.80 -0.41 115.31 121.65 2giw h LEU 64 Ca 0.16 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2giw h LEU 64 Cb 0.46 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2giw h LEU 64 CO 0.02 0.40 0.05 0.24 0.09 0.00 0.00 178.44 179.25 2giw h MET 65 N 0.74 0.22 -0.01 1.13 2.86 -1.53 -0.47 114.93 117.87 2giw h MET 65 Ca 0.29 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.91 2giw h MET 65 Cb 0.12 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2giw h MET 65 CO -0.15 0.33 -0.13 0.93 1.06 0.00 0.00 176.91 178.95 2giw h GLU 66 N 0.07 -0.20 0.54 1.72 5.08 -1.21 -1.02 114.58 119.56 2giw h GLU 66 Ca 0.05 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2giw h GLU 66 Cb 0.19 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2giw h GLU 66 CO -0.00 -0.14 -0.43 -0.92 -1.00 0.00 0.00 179.01 176.52 2giw h TYR 67 N -0.21 -1.16 -0.49 4.33 3.20 -0.93 -0.36 116.97 121.34 2giw h TYR 67 Ca 0.05 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2giw h TYR 67 Cb 0.27 0.43 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 2giw h TYR 67 CO -0.19 -0.61 0.31 -0.07 -1.64 0.00 0.00 178.16 175.96 2giw h LEU 68 N -0.95 0.57 0.19 2.82 -0.00 -1.06 0.11 115.31 116.99 2giw h LEU 68 Ca -0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2giw h LEU 68 Cb 0.80 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 2giw h LEU 68 CO 0.00 0.43 -0.17 -0.08 -0.00 0.00 0.00 178.44 178.62 2giw h GLU 69 N 0.67 -0.36 -1.38 1.13 4.81 -0.90 -3.42 114.58 115.14 2giw h GLU 69 Ca 0.18 0.02 -0.40 0.00 -0.13 0.00 0.00 59.36 59.03 2giw h GLU 69 Cb -0.05 0.08 -0.32 0.00 0.63 0.00 0.00 28.75 29.09 2giw h GLU 69 CO -0.04 -0.24 -0.97 -1.71 -0.73 0.00 0.00 179.01 175.32 2giw n ASN 70 N -5.29 -0.11 -0.12 1.04 2.85 -0.17 -3.99 115.26 109.47 2giw n ASN 70 Ca -0.08 -3.20 -0.13 0.00 -0.11 0.00 0.00 54.58 51.06 2giw n ASN 70 Cb 0.21 0.15 -0.03 0.00 1.24 0.00 0.00 39.78 41.35 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 2.99 0.82 0.00 1.20 0.13 -1.06 0.82 132.00 136.90 2giw h PRO 71 Ca 0.03 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2giw h PRO 71 Cb 1.02 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2giw h PRO 71 CO 0.39 1.03 0.00 1.17 -0.23 0.00 0.00 178.00 180.36 2giw n LYS 72 N -4.20 0.04 -0.11 0.86 0.00 -1.26 -1.31 118.16 112.17 2giw n LYS 72 Ca -0.02 0.44 -0.16 0.00 0.00 0.00 0.00 58.31 58.56 2giw n LYS 72 Cb 0.47 -1.61 -0.10 0.00 0.00 0.00 0.00 35.03 33.78 2giw n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2giw n LYS 73 N -1.70 0.56 -0.02 1.64 0.00 0.07 -4.22 118.16 114.50 2giw n LYS 73 Ca 0.01 0.13 -0.09 0.00 0.00 0.00 0.00 58.31 58.36 2giw n LYS 73 Cb 0.08 -1.45 -0.04 0.00 0.00 0.00 0.00 35.03 33.63 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 -0.03 0.02 -3.32 5.64 3.20 -0.78 -3.41 116.97 118.31 2giw h TYR 74 Ca -0.51 0.01 -0.66 0.00 3.14 0.00 0.00 58.73 60.72 2giw h TYR 74 Cb 1.77 0.01 -0.28 0.00 1.54 0.00 0.00 36.73 39.78 2giw h TYR 74 CO 0.02 -0.00 -0.76 0.42 -1.64 0.00 0.00 178.16 176.20 2giw s ILE 75 N -6.19 3.05 -1.16 1.81 1.01 -0.43 -5.05 121.20 114.24 2giw s ILE 75 Ca -0.13 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 59.67 2giw s ILE 75 Cb 0.09 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 2giw s ILE 75 CO 0.68 0.50 1.91 -0.81 0.00 0.00 0.00 174.94 177.23 2giw n PRO 76 N 3.92 2.14 0.00 2.79 -0.04 -1.26 -3.81 135.00 138.74 2giw n PRO 76 Ca -0.18 -2.56 0.00 0.00 -0.04 0.00 0.00 63.50 60.71 2giw n PRO 76 Cb 0.52 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 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 5.23 0.83 3.83 0.55 0.00 -1.26 -4.93 105.19 109.44 2giw n GLY 77 Ca 0.48 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.98 4.50 -2.00 2.61 -1.32 -1.25 -4.71 115.64 111.50 2giw s THR 78 Ca 0.00 1.28 0.04 0.00 -1.21 0.00 0.00 61.69 61.79 2giw s THR 78 Cb 0.00 -3.61 0.10 0.00 -1.51 0.00 0.00 72.50 67.48 2giw s THR 78 CO 0.00 -0.31 1.12 1.17 -2.21 0.00 0.00 174.62 174.39 2giw n LYS 79 N -0.63 1.09 0.16 7.08 4.81 -1.26 -4.22 118.16 125.20 2giw n LYS 79 Ca 0.06 -0.15 0.03 0.00 -0.87 0.00 0.00 58.31 57.38 2giw n LYS 79 Cb 0.54 -1.07 0.40 0.00 0.02 0.00 0.00 35.03 34.92 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 0.24 0.13 -5.99 1.64 4.05 -1.93 -3.48 114.93 109.59 2giw h MET 80 Ca 0.00 -0.03 -0.22 0.00 -0.28 0.00 0.00 59.70 59.17 2giw h MET 80 Cb 0.06 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 2giw h MET 80 CO 0.00 0.34 -0.54 -0.89 0.23 0.00 0.00 176.91 176.06 2giw n ILE 81 N -4.23 -7.12 -3.68 1.77 2.08 -1.26 -5.03 119.36 101.89 2giw n ILE 81 Ca -0.01 -0.07 -0.14 0.00 0.56 0.00 0.00 62.75 63.08 2giw n ILE 81 Cb 0.31 -5.15 -0.08 0.00 -0.75 0.00 0.00 39.64 33.97 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 -2.90 -0.32 -0.39 1.39 5.36 -1.26 -5.13 117.98 114.72 2giw s PHE 82 Ca 0.03 0.48 -0.01 0.00 -0.96 0.00 0.00 56.93 56.47 2giw s PHE 82 Cb -0.01 0.20 0.20 0.00 -0.34 0.00 0.00 43.02 43.07 2giw s PHE 82 CO 0.82 -0.48 0.92 0.00 -1.46 0.00 0.00 175.22 175.02 2giw s ALA 83 N -1.48 -3.53 0.09 11.12 0.00 -1.26 -4.49 121.76 122.21 2giw s ALA 83 Ca -0.12 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2giw s ALA 83 Cb -0.03 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2giw s ALA 83 CO 0.05 -2.40 0.00 0.41 0.00 0.00 0.00 175.76 173.82 2giw n GLY 84 N 3.24 -2.22 1.82 0.00 0.00 -1.26 -5.06 105.19 101.72 2giw n GLY 84 Ca 0.12 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.71 0.00 0.00 -0.61 3.06 -1.26 -5.09 119.36 112.75 2giw n ILE 85 Ca -0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.24 2giw n ILE 85 Cb 0.11 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.29 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 -2.93 0.00 0.03 9.51 4.81 -1.26 -5.11 118.16 123.21 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 -0.93 0.00 0.00 1.64 4.81 -1.26 -5.02 118.16 117.40 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 1.63 1.17 0.00 0.00 177.40 180.20 2giw n LYS 88 N -2.48 0.00 -0.24 1.64 5.02 -1.26 -4.96 118.16 115.88 2giw n LYS 88 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 2giw n LYS 88 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.17 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 0.58 -0.05 -0.18 2.02 -2.01 -1.97 112.91 111.31 2giw h THR 89 Ca 0.00 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.10 2giw h THR 89 Cb 0.00 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 66.60 2giw h THR 89 CO 0.00 0.06 -0.49 -0.08 0.37 0.00 0.00 175.52 175.38 2giw h GLU 90 N 0.31 -0.58 0.00 6.66 4.22 -1.97 0.29 114.58 123.51 2giw h GLU 90 Ca 0.39 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.87 2giw h GLU 90 Cb 0.62 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2giw h GLU 90 CO -0.46 -0.39 0.36 0.54 -2.18 0.00 0.00 179.01 176.89 2giw n ARG 91 N -5.45 0.07 -0.10 1.92 1.74 -0.75 -0.46 116.66 113.62 2giw n ARG 91 Ca -0.06 0.51 -0.15 0.00 -0.77 0.00 0.00 57.85 57.38 2giw n ARG 91 Cb 0.38 -2.07 -0.06 0.00 -1.02 0.00 0.00 32.46 29.69 2giw n ARG 91 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2giw n GLU 92 N -1.89 0.52 0.30 5.56 4.07 -0.01 -4.01 120.64 125.18 2giw n GLU 92 Ca -0.01 0.45 -0.16 0.00 -0.06 0.00 0.00 57.16 57.39 2giw n GLU 92 Cb 0.38 -1.64 -0.08 0.00 -0.06 0.00 0.00 31.44 30.03 2giw n GLU 92 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 2giw h ASP 93 N -1.00 -0.62 -0.50 4.31 3.04 0.06 -0.98 116.42 120.72 2giw h ASP 93 Ca -0.22 -0.02 0.10 0.00 -3.24 0.00 0.00 57.03 53.64 2giw h ASP 93 Cb 1.02 0.16 -0.10 0.00 -1.04 0.00 0.00 39.33 39.37 2giw h ASP 93 CO -0.14 -0.37 -0.20 -0.07 -2.04 0.00 0.00 179.24 176.43 2giw h LEU 94 N -0.85 -0.70 0.00 0.15 -0.00 -1.03 0.54 115.31 113.43 2giw h LEU 94 Ca -0.08 0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2giw h LEU 94 Cb 0.61 0.40 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 2giw h LEU 94 CO 0.12 -0.23 0.00 -0.38 -0.00 0.00 0.00 178.44 177.95 2giw n ILE 95 N -5.40 0.09 -0.07 1.22 2.08 -1.17 -1.81 119.36 114.30 2giw n ILE 95 Ca 0.04 0.02 -0.22 0.00 0.56 0.00 0.00 62.75 63.15 2giw n ILE 95 Cb 0.31 -0.59 -0.12 0.00 -0.75 0.00 0.00 39.64 38.48 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 -1.16 1.01 0.29 -1.39 0.00 0.02 -3.67 120.51 115.62 2giw n ALA 96 Ca 0.16 -0.74 -0.18 0.00 0.00 0.00 0.00 53.44 52.69 2giw n ALA 96 Cb 0.16 -0.41 -0.09 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.42 -1.23 0.00 0.00 3.20 -0.88 -2.92 116.97 114.74 2giw h TYR 97 Ca -0.48 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 2giw h TYR 97 Cb 1.74 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 40.48 2giw h TYR 97 CO 0.05 -0.62 -0.03 -0.07 -1.64 0.00 0.00 178.16 175.85 2giw h LEU 98 N -0.95 0.00 -0.84 2.82 3.38 -1.55 0.97 115.31 119.14 2giw h LEU 98 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 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 -0.03 0.03 0.00 1.17 0.09 0.00 0.00 178.44 179.69 2giw n LYS 99 N -3.82 0.17 -0.04 1.13 4.81 -1.10 -2.24 118.16 117.07 2giw n LYS 99 Ca -0.03 0.47 -0.04 0.00 -0.87 0.00 0.00 58.31 57.84 2giw n LYS 99 Cb 0.11 -1.87 -0.05 0.00 0.02 0.00 0.00 35.03 33.24 2giw n LYS 99 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2giw n LYS 100 N -2.19 2.26 -0.25 1.64 2.85 0.11 -4.71 118.16 117.87 2giw n LYS 100 Ca 0.01 0.01 0.02 0.00 -1.05 0.00 0.00 58.31 57.30 2giw n LYS 100 Cb 0.17 -1.18 0.14 0.00 -0.65 0.00 0.00 35.03 33.51 2giw n LYS 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2giw h ALA 101 N 0.27 0.99 0.00 0.58 0.00 -0.62 0.16 119.26 120.65 2giw h ALA 101 Ca -0.20 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2giw h ALA 101 Cb 1.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2giw h ALA 101 CO 0.00 -0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.45 2giw n THR 102 N -4.87 1.65 -2.79 0.00 -2.24 -0.95 -2.01 114.28 103.07 2giw n THR 102 Ca 0.11 0.53 -0.02 0.00 -2.27 0.00 0.00 64.05 62.40 2giw n THR 102 Cb 0.28 -1.51 0.05 0.00 -2.10 0.00 0.00 70.33 67.05 2giw n THR 102 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2giw n ASN 103 N -1.71 1.65 -0.79 3.42 5.15 0.47 -4.43 115.26 119.03 2giw n ASN 103 Ca -0.00 -2.17 0.13 0.00 -0.60 0.00 0.00 54.58 51.94 2giw n ASN 103 Cb 0.03 -0.48 0.25 0.00 -0.53 0.00 0.00 39.78 39.05 2giw n ASN 103 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04