#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 2.10 -0.00 1.61 2.15 -1.26 -4.70 116.67 116.57 2giw s ASP 2 Ca 0.00 -1.11 -0.22 0.00 0.43 0.00 0.00 52.55 51.66 2giw s ASP 2 Cb 0.00 -0.05 -0.20 0.00 -0.30 0.00 0.00 42.92 42.37 2giw s ASP 2 CO 0.00 -0.36 1.17 0.58 -0.17 0.00 0.00 175.17 176.40 2giw h VAL 3 N 2.56 1.44 0.09 1.11 2.07 -1.85 0.23 116.25 121.90 2giw h VAL 3 Ca -0.38 -1.72 -0.00 0.00 0.82 0.00 0.00 66.70 65.42 2giw h VAL 3 Cb 1.21 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 2giw h VAL 3 CO 0.64 0.49 -0.05 -0.33 0.02 0.00 0.00 177.57 178.34 2giw h GLU 4 N -0.20 -0.12 0.02 1.57 4.39 -1.98 0.19 114.58 118.44 2giw h GLU 4 Ca -0.02 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2giw h GLU 4 Cb 0.95 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2giw h GLU 4 CO 0.06 0.21 -0.02 0.87 -1.16 0.00 0.00 179.01 178.97 2giw h LYS 5 N -0.46 -0.05 -0.17 2.33 1.79 -1.96 -2.13 116.57 115.92 2giw h LYS 5 Ca -0.01 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 2giw h LYS 5 Cb 0.39 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.00 2giw h LYS 5 CO 0.02 -0.03 -0.14 0.78 -1.08 0.00 0.00 179.45 179.00 2giw h GLY 6 N -0.05 -0.02 1.78 3.86 0.00 -0.45 -0.03 103.07 108.16 2giw h GLY 6 Ca 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 2giw h GLY 6 CO -0.01 -0.15 -0.20 0.07 0.00 0.00 0.00 176.54 176.26 2giw h LYS 7 N -0.15 0.27 0.03 4.80 2.10 -0.86 0.16 116.57 122.92 2giw h LYS 7 Ca 0.11 -0.08 -0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2giw h LYS 7 Cb 0.31 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2giw h LYS 7 CO -0.26 0.46 -0.02 0.87 -2.00 0.00 0.00 179.45 178.50 2giw h LYS 8 N 0.25 -0.04 -0.37 0.07 1.79 -0.65 -1.20 116.57 116.40 2giw h LYS 8 Ca 0.04 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.42 2giw h LYS 8 Cb 0.49 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 2giw h LYS 8 CO 0.03 0.51 -0.14 0.82 -1.08 0.00 0.00 179.45 179.59 2giw h ILE 9 N -0.62 1.28 -0.09 1.86 1.08 -0.87 0.45 117.51 120.59 2giw h ILE 9 Ca -0.00 -1.24 0.01 0.00 -0.39 0.00 0.00 64.86 63.23 2giw h ILE 9 Cb 0.57 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 2giw h ILE 9 CO 0.01 0.41 -0.18 0.15 -0.69 0.00 0.00 178.15 177.85 2giw h PHE 10 N 0.55 -0.55 -0.79 1.37 3.57 -0.76 -2.02 116.94 118.31 2giw h PHE 10 Ca 0.09 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.76 2giw h PHE 10 Cb 0.67 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.61 2giw h PHE 10 CO 0.05 -0.17 0.52 0.28 -2.23 0.00 0.00 178.31 176.76 2giw h VAL 11 N -0.17 0.81 -0.43 1.41 2.07 -0.93 0.56 116.25 119.57 2giw h VAL 11 Ca 0.02 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2giw h VAL 11 Cb 0.21 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2giw h VAL 11 CO -0.17 0.09 0.29 -0.61 0.02 0.00 0.00 177.57 177.19 2giw h GLN 12 N 0.49 0.45 0.00 1.57 4.15 -0.21 -3.29 115.11 118.27 2giw h GLN 12 Ca 0.39 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.78 2giw h GLN 12 Cb 0.81 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.40 2giw h GLN 12 CO -0.14 0.29 0.00 0.36 -1.93 0.00 0.00 178.83 177.42 2giw n LYS 13 N -4.48 0.14 -0.00 1.69 0.00 0.17 -4.91 118.16 110.78 2giw n LYS 13 Ca 0.05 -0.36 -0.01 0.00 -0.00 0.00 0.00 58.31 58.00 2giw n LYS 13 Cb 0.16 -0.60 -0.00 0.00 -0.00 0.00 0.00 35.03 34.59 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 -0.01 2.17 -1.02 0.00 0.00 -1.62 0.14 119.26 118.92 2giw h ALA 15 Ca -0.01 0.01 0.29 0.00 0.00 0.00 0.00 54.91 55.19 2giw h ALA 15 Cb 1.02 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.64 2giw h ALA 15 CO -0.01 -0.43 0.60 0.37 0.00 0.00 0.00 179.25 179.79 2giw h GLN 16 N 0.42 0.43 0.05 0.00 -0.00 -1.87 -1.45 115.11 112.69 2giw h GLN 16 Ca 0.44 -0.03 -0.35 0.00 -0.00 0.00 0.00 58.65 58.72 2giw h GLN 16 Cb 1.07 -0.10 -0.04 0.00 0.00 0.00 0.00 27.48 28.41 2giw h GLN 16 CO -0.16 0.29 -2.03 0.00 0.00 0.00 0.00 178.83 176.92 2giw s HIS 18 N -2.56 1.90 -0.69 0.00 3.76 0.04 -1.81 115.29 115.93 2giw s HIS 18 Ca -0.17 -2.40 -0.07 0.00 -0.15 0.00 0.00 55.06 52.27 2giw s HIS 18 Cb 0.07 -1.78 -0.13 0.00 1.11 0.00 0.00 32.58 31.86 2giw s HIS 18 CO 0.77 -0.77 3.18 0.25 -0.85 0.00 0.00 174.74 177.32 2giw n THR 19 N 3.43 3.68 -2.41 1.30 -2.24 -1.22 -4.07 114.28 112.76 2giw n THR 19 Ca 0.11 -2.33 -0.37 0.00 -2.27 0.00 0.00 64.05 59.19 2giw n THR 19 Cb 0.36 -2.14 -0.03 0.00 -2.10 0.00 0.00 70.33 66.42 2giw n THR 19 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2giw s VAL 20 N 0.68 3.86 0.00 2.28 0.11 -1.26 -3.60 120.40 122.47 2giw s VAL 20 Ca 0.65 -1.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 2giw s VAL 20 Cb 0.27 -4.88 0.00 0.00 -1.53 0.00 0.00 36.38 30.24 2giw s VAL 20 CO -0.06 -1.66 0.00 -1.84 -3.33 0.00 0.00 175.10 168.21 2giw n GLU 21 N 8.58 0.00 -3.62 1.54 0.28 -1.26 -5.02 120.64 121.14 2giw n GLU 21 Ca 0.42 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.39 2giw n GLU 21 Cb 0.48 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.33 2giw n GLU 21 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2giw s LYS 22 N -1.08 0.63 0.00 3.44 -2.85 -1.24 -5.01 119.74 113.64 2giw s LYS 22 Ca 0.00 -0.30 0.00 0.00 -1.00 0.00 0.00 55.97 54.67 2giw s LYS 22 Cb 0.00 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 2giw s LYS 22 CO 0.00 -0.28 0.00 0.41 0.10 0.00 0.00 175.35 175.58 2giw n GLY 23 N -0.32 1.51 1.26 0.59 0.00 -1.26 -4.78 105.19 102.19 2giw n GLY 23 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.58 3.44 -0.02 0.00 -1.26 -5.13 105.19 98.64 2giw n GLY 24 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 2giw n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2giw s LYS 25 N -1.77 1.22 0.00 1.61 2.36 -1.26 -5.03 119.74 116.87 2giw s LYS 25 Ca 0.00 -0.39 0.00 0.00 -2.55 0.00 0.00 55.97 53.03 2giw s LYS 25 Cb 0.00 0.57 0.00 0.00 -1.05 0.00 0.00 37.83 37.35 2giw s LYS 25 CO 0.00 -0.52 0.00 1.58 1.55 0.00 0.00 175.35 177.96 2giw n HIS 26 N -0.25 0.00 -2.43 4.03 -0.00 -1.26 -2.88 115.22 112.43 2giw n HIS 26 Ca -0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.51 2giw n HIS 26 Cb 0.64 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.66 2giw n HIS 26 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2giw n LYS 27 N 0.00 -1.91 -1.02 1.57 3.00 -1.26 -4.01 118.16 114.53 2giw n LYS 27 Ca 0.00 0.24 -0.01 0.00 -0.00 0.00 0.00 58.31 58.54 2giw n LYS 27 Cb 0.00 -3.46 -0.00 0.00 0.00 0.00 0.00 35.03 31.57 2giw n LYS 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2giw n THR 28 N -1.97 0.00 -3.39 3.15 -1.04 -1.26 -4.28 114.28 105.50 2giw n THR 28 Ca -0.08 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.95 2giw n THR 28 Cb 0.55 -0.54 -0.05 0.00 -1.82 0.00 0.00 70.33 68.47 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 -2.96 0.08 0.16 3.41 0.00 -0.75 -4.82 107.32 102.44 2giw s GLY 29 Ca 0.00 3.35 -0.31 0.00 0.00 0.00 0.00 44.72 47.76 2giw s GLY 29 CO 0.00 3.15 1.52 2.56 0.00 0.00 0.00 173.10 180.34 2giw s PRO 30 N 2.03 4.24 -0.53 2.90 0.04 -1.26 -4.21 135.00 138.21 2giw s PRO 30 Ca -0.03 2.30 -0.33 0.00 0.04 0.00 0.00 61.00 62.98 2giw s PRO 30 Cb -0.04 -3.17 -0.13 0.00 0.04 0.00 0.00 34.50 31.21 2giw s PRO 30 CO -0.16 -0.56 2.35 0.27 0.04 0.00 0.00 177.00 178.94 2giw n ASN 31 N 3.81 1.69 -0.16 6.66 6.94 -1.14 -4.80 115.26 128.26 2giw n ASN 31 Ca 0.13 0.18 -0.02 0.00 -0.02 0.00 0.00 54.58 54.85 2giw n ASN 31 Cb 0.39 -1.24 0.06 0.00 -2.36 0.00 0.00 39.78 36.64 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 13.64 -0.21 0.00 -4.53 3.38 -1.90 -3.44 115.31 122.26 2giw h LEU 32 Ca -0.21 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2giw h LEU 32 Cb 1.31 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2giw h LEU 32 CO 1.13 -0.07 0.00 1.57 0.09 0.00 0.00 178.44 181.16 2giw n HIS 33 N -5.23 0.00 -3.28 1.13 -0.00 -1.26 -4.09 115.22 102.49 2giw n HIS 33 Ca 0.06 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.13 2giw n HIS 33 Cb 0.27 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.09 2giw n HIS 33 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2giw s GLY 34 N 0.00 -0.45 -0.05 1.57 0.00 -1.26 -4.36 107.32 102.77 2giw s GLY 34 Ca 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 44.72 44.05 2giw s GLY 34 CO 0.00 3.07 -0.07 1.04 0.00 0.00 0.00 173.10 177.14 2giw n LEU 35 N 4.14 0.60 -4.55 0.66 4.77 -1.26 -4.53 117.00 116.83 2giw n LEU 35 Ca 0.12 0.31 -0.48 0.00 -0.03 0.00 0.00 56.01 55.94 2giw n LEU 35 Cb 0.50 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 2giw n LEU 35 CO 0.06 -0.48 1.74 0.49 -1.33 0.00 0.00 177.39 177.87 2giw n PHE 36 N -3.06 1.89 0.00 -1.77 3.01 -0.93 -0.55 117.46 116.06 2giw n PHE 36 Ca -0.03 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.52 2giw n PHE 36 Cb 0.11 -2.62 0.00 0.00 -0.01 0.00 0.00 39.48 36.95 2giw n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2giw n GLY 37 N 5.76 2.14 3.58 1.37 0.00 -1.26 -5.01 105.19 111.76 2giw n GLY 37 Ca 0.33 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 2giw n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2giw s ARG 38 N -0.81 3.89 0.19 1.61 0.52 0.29 -5.03 118.95 119.61 2giw s ARG 38 Ca 0.00 -0.37 -0.30 0.00 -0.52 0.00 0.00 55.73 54.54 2giw s ARG 38 Cb 0.00 -3.37 -0.09 0.00 0.52 0.00 0.00 34.95 32.02 2giw s ARG 38 CO 0.00 0.04 1.34 -1.59 0.02 0.00 0.00 175.30 175.11 2giw s LYS 39 N 1.05 4.36 0.00 3.54 0.00 -1.26 -3.64 119.74 123.79 2giw s LYS 39 Ca 0.05 2.09 0.00 0.00 0.00 0.00 0.00 55.97 58.12 2giw s LYS 39 Cb -0.14 -3.19 0.00 0.00 0.00 0.00 0.00 37.83 34.50 2giw s LYS 39 CO 0.04 -0.31 0.00 -2.37 0.00 0.00 0.00 175.35 172.70 2giw n THR 40 N 2.86 0.00 -1.70 3.79 5.66 0.50 -4.70 114.28 120.70 2giw n THR 40 Ca 0.07 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 61.00 2giw n THR 40 Cb 0.42 -1.10 -0.02 0.00 -1.55 0.00 0.00 70.33 68.08 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 4.18 0.48 0.00 1.09 0.00 -1.26 -4.28 105.19 105.40 2giw n GLY 41 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2giw n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2giw n GLN 42 N -2.21 0.00 -3.97 1.61 10.64 -1.26 -4.75 117.38 117.44 2giw n GLN 42 Ca -0.08 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.00 2giw n GLN 42 Cb 0.41 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.67 2giw n GLN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2giw s ALA 43 N 0.00 0.12 0.47 2.61 0.00 -1.26 -5.06 121.76 118.64 2giw s ALA 43 Ca 0.00 -0.51 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 2giw s ALA 43 Cb 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 23.12 23.17 2giw s ALA 43 CO 0.00 -0.13 1.08 -1.25 0.00 0.00 0.00 175.76 175.46 2giw s PRO 44 N -1.25 3.78 0.00 0.00 0.04 -1.26 -4.14 135.00 132.17 2giw s PRO 44 Ca -0.13 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.42 2giw s PRO 44 Cb -0.09 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2giw s PRO 44 CO -0.01 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.96 2giw n GLY 45 N 0.09 1.31 2.83 0.56 0.00 -1.26 -4.72 105.19 104.01 2giw n GLY 45 Ca 0.08 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 2giw n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2giw s PHE 46 N 0.00 0.18 -0.33 1.61 5.36 -1.26 -5.06 117.98 118.48 2giw s PHE 46 Ca 0.00 0.03 0.16 0.00 -0.96 0.00 0.00 56.93 56.16 2giw s PHE 46 Cb 0.00 -0.26 0.43 0.00 -0.34 0.00 0.00 43.02 42.85 2giw s PHE 46 CO 0.00 -0.08 0.93 -2.37 -1.46 0.00 0.00 175.22 172.24 2giw n THR 47 N 3.80 0.72 -4.43 0.12 5.66 -1.26 -4.29 114.28 114.59 2giw n THR 47 Ca -0.23 -3.25 0.00 0.00 -3.05 0.00 0.00 64.05 57.52 2giw n THR 47 Cb 0.53 0.52 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 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 -0.02 -0.29 -3.43 1.09 4.01 -1.26 -4.18 117.16 113.08 2giw n TYR 48 Ca 0.11 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.54 2giw n TYR 48 Cb 0.79 0.07 -0.05 0.00 -0.31 0.00 0.00 39.34 39.84 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 4.97 0.48 -0.72 -4.23 -1.26 -4.91 115.64 109.96 2giw s THR 49 Ca 0.00 0.38 0.29 0.00 -1.18 0.00 0.00 61.69 61.19 2giw s THR 49 Cb 0.00 -3.63 0.49 0.00 1.34 0.00 0.00 72.50 70.70 2giw s THR 49 CO 0.00 -0.09 1.77 0.44 -0.54 0.00 0.00 174.62 176.20 2giw h ASP 50 N 2.48 0.19 -0.78 3.99 5.19 -1.94 0.29 116.42 125.84 2giw h ASP 50 Ca -0.47 0.05 0.08 0.00 -0.62 0.00 0.00 57.03 56.07 2giw h ASP 50 Cb 1.17 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.65 2giw h ASP 50 CO 0.69 0.02 0.51 0.00 -3.12 0.00 0.00 179.24 177.34 2giw h ALA 51 N 1.50 1.70 0.10 3.45 0.00 -1.95 0.24 119.26 124.29 2giw h ALA 51 Ca 0.61 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 55.14 2giw h ALA 51 Cb 2.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 2giw h ALA 51 CO -0.16 0.16 -2.06 -1.71 0.00 0.00 0.00 179.25 175.48 2giw n ASN 52 N -4.49 2.04 -0.32 0.00 2.85 0.79 -3.84 115.26 112.29 2giw n ASN 52 Ca 0.12 0.17 0.12 0.00 -0.11 0.00 0.00 54.58 54.88 2giw n ASN 52 Cb 0.27 -0.75 0.30 0.00 1.24 0.00 0.00 39.78 40.83 2giw n ASN 52 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 2giw h LYS 53 N 0.06 0.54 0.00 1.20 2.10 -0.73 -0.02 116.57 119.72 2giw h LYS 53 Ca -0.44 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2giw h LYS 53 Cb 2.02 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 33.23 2giw h LYS 53 CO 0.06 0.36 0.00 -1.71 -2.00 0.00 0.00 179.45 176.16 2giw n ASN 54 N -4.92 0.66 0.05 7.07 5.15 0.81 -3.83 115.26 120.26 2giw n ASN 54 Ca 0.22 0.61 -0.12 0.00 -0.60 0.00 0.00 54.58 54.69 2giw n ASN 54 Cb 0.60 -0.77 -0.09 0.00 -0.53 0.00 0.00 39.78 38.99 2giw n ASN 54 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2giw h LYS 55 N 0.00 -0.18 -5.24 1.20 1.79 -1.09 -3.48 116.57 109.57 2giw h LYS 55 Ca 0.00 0.01 -0.41 0.00 -2.18 0.00 0.00 60.65 58.07 2giw h LYS 55 Cb 0.53 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.23 2giw h LYS 55 CO 0.00 0.25 -0.63 0.41 -1.08 0.00 0.00 179.45 178.40 2giw n GLY 56 N 0.25 -0.51 0.73 3.86 0.00 -1.25 -4.97 105.19 103.30 2giw n GLY 56 Ca -0.08 0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.45 0.00 -3.91 -0.61 -6.64 -1.26 -4.69 119.36 97.79 2giw n ILE 57 Ca -0.04 -0.21 -0.28 0.00 -1.77 0.00 0.00 62.75 60.45 2giw n ILE 57 Cb 0.57 -1.78 -0.16 0.00 -1.44 0.00 0.00 39.64 36.83 2giw n ILE 57 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 2giw s THR 58 N -1.31 1.17 -0.92 7.28 2.01 -1.26 -0.37 115.64 122.24 2giw s THR 58 Ca 0.14 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 61.33 2giw s THR 58 Cb -0.00 -1.29 -0.12 0.00 0.01 0.00 0.00 72.50 71.09 2giw s THR 58 CO 0.10 0.20 1.96 0.79 -0.69 0.00 0.00 174.62 176.98 2giw n TRP 59 N 4.86 2.25 -3.40 4.92 5.03 -1.24 -4.71 117.44 125.16 2giw n TRP 59 Ca -0.13 -1.94 -0.16 0.00 3.03 0.00 0.00 57.50 58.31 2giw n TRP 59 Cb 0.48 -1.94 0.02 0.00 -1.03 0.00 0.00 31.31 28.85 2giw n TRP 59 CO 0.00 0.00 0.00 0.36 -0.03 0.00 0.00 177.69 178.02 2giw n LYS 60 N 7.08 0.82 -1.28 -0.99 2.85 -1.26 -2.18 118.16 123.19 2giw n LYS 60 Ca 0.49 -2.29 -0.37 0.00 -1.05 0.00 0.00 58.31 55.10 2giw n LYS 60 Cb 0.41 0.04 -0.02 0.00 -0.65 0.00 0.00 35.03 34.81 2giw n LYS 60 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2giw n GLU 61 N -1.64 2.93 0.11 -1.58 0.00 -1.26 -2.36 120.64 116.84 2giw n GLU 61 Ca 0.05 -2.11 0.00 0.00 0.00 0.00 0.00 57.16 55.10 2giw n GLU 61 Cb 0.43 -2.86 0.00 0.00 0.00 0.00 0.00 31.44 29.01 2giw n GLU 61 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2giw n GLU 62 N 4.69 0.00 -0.12 3.44 0.28 -1.26 -4.93 120.64 122.75 2giw n GLU 62 Ca 0.62 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 57.50 2giw n GLU 62 Cb 0.27 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.11 2giw n GLU 62 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2giw h THR 63 N 0.00 1.28 -0.57 3.84 1.35 -1.80 -1.23 112.91 115.78 2giw h THR 63 Ca 0.00 -1.38 0.05 0.00 -0.55 0.00 0.00 66.41 64.53 2giw h THR 63 Cb 0.00 1.37 -0.05 0.00 -1.73 0.00 0.00 68.15 67.74 2giw h THR 63 CO 0.00 0.46 0.29 -0.07 -0.25 0.00 0.00 175.52 175.95 2giw h LEU 64 N 0.61 0.41 0.02 3.87 4.07 -1.79 -0.67 115.31 121.83 2giw h LEU 64 Ca 0.08 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 2giw h LEU 64 Cb 0.80 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2giw h LEU 64 CO 0.07 0.28 -0.01 -0.03 -1.08 0.00 0.00 178.44 177.66 2giw h MET 65 N 0.55 -0.03 -0.06 1.13 4.05 -1.61 0.24 114.93 119.21 2giw h MET 65 Ca 0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.68 2giw h MET 65 Cb 0.17 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 2giw h MET 65 CO -0.18 0.17 0.02 1.49 0.23 0.00 0.00 176.91 178.64 2giw h GLU 66 N -0.22 0.05 0.47 0.39 4.81 -1.18 -0.99 114.58 117.91 2giw h GLU 66 Ca -0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2giw h GLU 66 Cb 0.21 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2giw h GLU 66 CO 0.01 0.03 -0.45 -0.92 -0.73 0.00 0.00 179.01 176.95 2giw h TYR 67 N 0.05 -1.22 -0.73 0.92 3.20 -1.00 -0.22 116.97 117.97 2giw h TYR 67 Ca 0.02 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.93 2giw h TYR 67 Cb 0.01 0.47 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 2giw h TYR 67 CO -0.09 -0.61 0.48 -0.07 -1.64 0.00 0.00 178.16 176.23 2giw h LEU 68 N -0.92 0.77 -0.16 2.82 -0.00 -0.90 0.11 115.31 117.03 2giw h LEU 68 Ca -0.05 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2giw h LEU 68 Cb 0.80 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.28 2giw h LEU 68 CO -0.05 0.53 0.09 -0.08 -0.00 0.00 0.00 178.44 178.93 2giw h GLU 69 N 0.90 0.21 -0.97 1.13 4.81 -0.85 -3.39 114.58 116.41 2giw h GLU 69 Ca 0.29 -0.02 -0.38 0.00 -0.13 0.00 0.00 59.36 59.12 2giw h GLU 69 Cb 0.04 -0.04 -0.26 0.00 0.63 0.00 0.00 28.75 29.12 2giw h GLU 69 CO -0.08 0.18 -0.79 -1.71 -0.73 0.00 0.00 179.01 175.88 2giw n ASN 70 N -4.95 -1.41 -0.03 1.04 2.85 -0.12 -2.94 115.26 109.70 2giw n ASN 70 Ca -0.04 -3.01 -0.13 0.00 -0.11 0.00 0.00 54.58 51.29 2giw n ASN 70 Cb 0.05 0.64 -0.09 0.00 1.24 0.00 0.00 39.78 41.62 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 3.99 0.13 0.00 1.20 0.13 -1.05 -0.40 132.00 136.00 2giw h PRO 71 Ca -0.04 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2giw h PRO 71 Cb 0.96 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2giw h PRO 71 CO 0.39 0.54 0.00 0.87 -0.23 0.00 0.00 178.00 179.57 2giw h LYS 72 N -0.27 0.00 0.00 0.86 1.57 -1.85 -1.03 116.57 115.84 2giw h LYS 72 Ca 0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 2giw h LYS 72 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2giw h LYS 72 CO 0.01 0.00 -0.99 -0.22 -0.57 0.00 0.00 179.45 177.68 2giw h LYS 73 N 0.00 0.00 -0.59 3.15 3.64 -1.56 -3.33 116.57 117.88 2giw h LYS 73 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2giw h LYS 73 Cb 0.05 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 2giw h LYS 73 CO 0.00 0.83 0.17 -0.92 -2.27 0.00 0.00 179.45 177.26 2giw h TYR 74 N -1.00 0.29 -3.37 1.91 3.20 -0.83 -3.37 116.97 113.80 2giw h TYR 74 Ca -0.25 0.03 -0.63 0.00 3.14 0.00 0.00 58.73 61.02 2giw h TYR 74 Cb 1.12 -0.04 -0.36 0.00 1.54 0.00 0.00 36.73 38.99 2giw h TYR 74 CO 0.07 0.03 -0.82 0.42 -1.64 0.00 0.00 178.16 176.22 2giw s ILE 75 N -6.10 1.76 -1.27 1.81 1.01 -0.42 -5.05 121.20 112.95 2giw s ILE 75 Ca -0.13 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.35 2giw s ILE 75 Cb 0.17 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 2giw s ILE 75 CO 0.74 0.25 2.24 -0.81 0.00 0.00 0.00 174.94 177.36 2giw n PRO 76 N 4.66 2.57 0.00 2.79 -0.04 -1.25 -4.18 135.00 139.54 2giw n PRO 76 Ca -0.16 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 61.02 2giw n PRO 76 Cb 0.47 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 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 4.12 1.75 3.06 0.55 0.00 -1.26 -5.01 105.19 108.40 2giw n GLY 77 Ca 0.54 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 46.17 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 0.73 -0.89 2.61 -1.32 -1.26 -3.99 115.64 111.52 2giw s THR 78 Ca 0.00 -0.71 0.20 0.00 -1.21 0.00 0.00 61.69 59.97 2giw s THR 78 Cb 0.00 -0.67 0.18 0.00 -1.51 0.00 0.00 72.50 70.49 2giw s THR 78 CO 0.00 -0.02 1.62 1.17 -2.21 0.00 0.00 174.62 175.18 2giw n LYS 79 N 2.25 0.05 -2.31 7.08 4.81 -1.26 -4.82 118.16 123.96 2giw n LYS 79 Ca -0.17 0.23 -0.41 0.00 -0.87 0.00 0.00 58.31 57.09 2giw n LYS 79 Cb 0.56 -1.58 -0.03 0.00 0.02 0.00 0.00 35.03 33.99 2giw n LYS 79 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 2giw s MET 80 N -3.06 4.44 -0.66 1.64 1.75 -1.26 -4.99 119.30 117.16 2giw s MET 80 Ca 0.08 1.95 0.04 0.00 -1.25 0.00 0.00 55.69 56.51 2giw s MET 80 Cb 0.11 -3.22 0.16 0.00 2.84 0.00 0.00 34.83 34.72 2giw s MET 80 CO 0.36 -0.17 0.45 0.42 -0.65 0.00 0.00 175.02 175.43 2giw s ILE 81 N 0.05 2.99 0.13 10.11 -1.09 -1.26 -4.89 121.20 127.24 2giw s ILE 81 Ca 0.55 -3.89 -0.05 0.00 -2.23 0.00 0.00 60.65 55.03 2giw s ILE 81 Cb -0.34 -2.98 -0.02 0.00 -1.58 0.00 0.00 42.46 37.54 2giw s ILE 81 CO 0.37 -0.94 0.14 0.12 -1.23 0.00 0.00 174.94 173.40 2giw s PHE 82 N -1.03 0.58 -0.30 3.97 5.36 -1.26 -5.17 117.98 120.13 2giw s PHE 82 Ca 0.22 -0.97 -0.05 0.00 -0.96 0.00 0.00 56.93 55.17 2giw s PHE 82 Cb -0.12 -0.27 0.18 0.00 -0.34 0.00 0.00 43.02 42.47 2giw s PHE 82 CO -0.11 -0.58 0.68 0.00 -1.46 0.00 0.00 175.22 173.76 2giw s ALA 83 N -3.98 -2.39 0.00 11.12 0.00 -1.26 -4.72 121.76 120.52 2giw s ALA 83 Ca 0.18 1.89 0.00 0.00 0.00 0.00 0.00 51.96 54.03 2giw s ALA 83 Cb 0.06 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 21.04 2giw s ALA 83 CO -0.02 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 174.89 2giw n GLY 84 N 5.42 -0.41 1.98 0.00 0.00 -1.15 -4.91 105.19 106.12 2giw n GLY 84 Ca -0.04 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.47 0.02 0.08 -0.61 3.06 -1.26 -4.67 119.36 115.50 2giw n ILE 85 Ca 0.00 0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 2giw n ILE 85 Cb 0.00 -0.52 0.00 0.00 0.54 0.00 0.00 39.64 39.66 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 -3.32 0.00 0.12 9.51 4.81 -1.26 -4.98 118.16 123.04 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 -2.83 0.00 0.00 1.64 4.81 -1.26 -5.06 118.16 115.46 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 1.17 1.17 0.00 0.00 177.40 179.74 2giw n LYS 88 N -2.96 0.00 -0.23 1.64 4.81 -1.26 -4.96 118.16 115.21 2giw n LYS 88 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 2giw n LYS 88 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 2giw n LYS 88 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 2giw h THR 89 N 0.00 0.06 -0.91 3.15 1.35 -2.00 0.10 112.91 114.67 2giw h THR 89 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.00 2giw h THR 89 Cb 0.00 0.06 -0.07 0.00 -1.73 0.00 0.00 68.15 66.41 2giw h THR 89 CO 0.00 0.00 0.58 -0.08 -0.25 0.00 0.00 175.52 175.77 2giw h GLU 90 N -0.22 0.74 0.00 4.72 4.81 -1.94 0.27 114.58 122.96 2giw h GLU 90 Ca 0.17 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2giw h GLU 90 Cb 0.56 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2giw h GLU 90 CO -0.72 0.49 0.00 -2.13 -0.73 0.00 0.00 179.01 175.92 2giw n ARG 91 N -4.57 0.16 -0.04 1.92 0.63 0.34 -1.25 116.66 113.85 2giw n ARG 91 Ca 0.18 0.54 -0.04 0.00 -0.92 0.00 0.00 57.85 57.60 2giw n ARG 91 Cb 0.44 -1.90 -0.05 0.00 0.45 0.00 0.00 32.46 31.39 2giw n ARG 91 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2giw n GLU 92 N -2.22 1.94 0.30 -0.14 4.07 -0.19 -4.39 120.64 120.02 2giw n GLU 92 Ca 0.00 0.02 -0.17 0.00 -0.06 0.00 0.00 57.16 56.95 2giw n GLU 92 Cb 0.12 -1.18 -0.08 0.00 -0.06 0.00 0.00 31.44 30.23 2giw n GLU 92 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2giw h ASP 93 N 0.00 -0.88 -0.58 4.31 3.58 -0.25 0.20 116.42 122.80 2giw h ASP 93 Ca -0.19 0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.36 2giw h ASP 93 Cb 1.39 0.27 -0.05 0.00 1.72 0.00 0.00 39.33 42.66 2giw h ASP 93 CO -0.00 -0.53 0.31 -0.07 -2.88 0.00 0.00 179.24 176.06 2giw h LEU 94 N -0.84 0.45 -0.17 2.28 -0.00 -1.43 0.09 115.31 115.69 2giw h LEU 94 Ca -0.06 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2giw h LEU 94 Cb 0.69 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 2giw h LEU 94 CO 0.04 0.30 0.00 -0.38 -0.00 0.00 0.00 178.44 178.40 2giw n ILE 95 N -4.84 0.04 -0.09 1.22 2.08 -1.00 -1.16 119.36 115.60 2giw n ILE 95 Ca 0.06 -0.03 -0.19 0.00 0.56 0.00 0.00 62.75 63.15 2giw n ILE 95 Cb 0.15 -0.03 -0.06 0.00 -0.75 0.00 0.00 39.64 38.96 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 -0.39 1.80 0.25 -1.39 0.00 0.66 -4.35 120.51 117.09 2giw n ALA 96 Ca 0.01 -0.72 -0.17 0.00 0.00 0.00 0.00 53.44 52.56 2giw n ALA 96 Cb 0.04 0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.15 0.00 0.00 3.20 -0.98 -2.90 116.97 114.49 2giw h TYR 97 Ca -0.44 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.44 2giw h TYR 97 Cb 1.36 0.45 -0.00 0.00 1.54 0.00 0.00 36.73 40.07 2giw h TYR 97 CO -0.07 -0.58 -0.03 -0.07 -1.64 0.00 0.00 178.16 175.77 2giw h LEU 98 N -0.86 0.00 -1.95 2.82 3.38 -1.40 0.15 115.31 117.46 2giw h LEU 98 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2giw h LEU 98 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2giw h LEU 98 CO -0.06 0.03 0.00 0.50 0.09 0.00 0.00 178.44 178.99 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.64 -1.70 -2.63 116.57 117.00 2giw h LYS 99 Ca -0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2giw h LYS 99 Cb 0.14 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2giw h LYS 99 CO 0.00 0.00 -1.44 0.36 -2.27 0.00 0.00 179.45 176.11 2giw n LYS 100 N -2.97 2.90 -0.32 1.90 -0.00 0.03 -4.72 118.16 114.98 2giw n LYS 100 Ca -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2giw n LYS 100 Cb 0.20 -1.16 0.13 0.00 -0.00 0.00 0.00 35.03 34.19 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 0.32 1.18 0.00 0.58 0.00 -0.60 0.21 119.26 120.96 2giw h ALA 101 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2giw h ALA 101 Cb 1.37 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2giw h ALA 101 CO 0.01 0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.87 2giw n THR 102 N -4.57 0.98 -2.72 0.00 -2.24 -1.01 -2.56 114.28 102.16 2giw n THR 102 Ca 0.12 0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 62.11 2giw n THR 102 Cb 0.13 -1.13 0.09 0.00 -2.10 0.00 0.00 70.33 67.33 2giw n THR 102 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2giw n ASN 103 N -1.32 -0.26 -0.11 3.42 0.23 0.08 -4.41 115.26 112.89 2giw n ASN 103 Ca 0.03 -2.27 0.16 0.00 -0.53 0.00 0.00 54.58 51.97 2giw n ASN 103 Cb 0.06 0.24 0.85 0.00 -2.08 0.00 0.00 39.78 38.85 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49