#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zgw s LYS 2 N 0.00 3.52 -0.29 2.12 1.02 -1.26 -5.05 119.74 119.79 1zgw s LYS 2 Ca 0.00 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 55.45 1zgw s LYS 2 Cb 0.00 -3.09 0.16 0.00 -0.52 0.00 0.00 37.83 34.38 1zgw s LYS 2 CO 0.00 -0.11 0.39 0.15 -0.92 0.00 0.00 175.35 174.86 1zgw s LYS 3 N 1.31 0.41 0.00 1.68 1.02 -1.26 -4.83 119.74 118.07 1zgw s LYS 3 Ca 0.04 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.08 1zgw s LYS 3 Cb -0.15 -0.37 0.00 0.00 -0.52 0.00 0.00 37.83 36.80 1zgw s LYS 3 CO 0.00 -1.04 0.00 0.00 -0.92 0.00 0.00 175.35 173.39 1zgw n ALA 4 N 5.30 0.00 -0.48 5.17 0.00 -1.26 -4.71 120.51 124.54 1zgw n ALA 4 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 1zgw n ALA 4 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 1zgw n ALA 4 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1zgw n THR 5 N -0.14 1.58 -1.54 0.00 5.66 -1.26 -4.43 114.28 114.17 1zgw n THR 5 Ca 0.00 -0.65 -0.00 0.00 -3.05 0.00 0.00 64.05 60.35 1zgw n THR 5 Cb 0.00 -1.58 0.00 0.00 -1.55 0.00 0.00 70.33 67.20 1zgw n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1zgw n LEU 7 N -1.12 -0.11 -3.50 0.00 4.77 -1.26 -5.00 117.00 110.78 1zgw n LEU 7 Ca -0.00 -0.27 -0.40 0.00 -0.03 0.00 0.00 56.01 55.31 1zgw n LEU 7 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1zgw n LEU 7 CO 0.01 0.63 3.09 0.41 -1.33 0.00 0.00 177.39 180.21 1zgw n THR 8 N 0.00 3.95 -0.68 -5.08 -1.04 -1.26 -4.68 114.28 105.49 1zgw n THR 8 Ca -0.03 -2.78 0.52 0.00 -2.04 0.00 0.00 64.05 59.72 1zgw n THR 8 Cb 0.26 -2.61 0.80 0.00 -1.82 0.00 0.00 70.33 66.96 1zgw n THR 8 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1zgw n ASP 9 N 4.68 0.04 0.14 8.00 5.75 -1.26 0.91 116.55 134.82 1zgw n ASP 9 Ca 0.67 1.07 -0.13 0.00 -0.01 0.00 0.00 54.79 56.39 1zgw n ASP 9 Cb 0.30 -0.53 -0.07 0.00 -1.03 0.00 0.00 41.12 39.79 1zgw n ASP 9 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1zgw h ASP 10 N 0.00 -0.40 0.80 -1.12 3.32 -1.98 0.19 116.42 117.23 1zgw h ASP 10 Ca 0.94 0.03 -0.23 0.00 0.02 0.00 0.00 57.03 57.79 1zgw h ASP 10 Cb 3.65 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 43.29 1zgw h ASP 10 CO -0.09 -0.24 -1.29 -0.61 -1.72 0.00 0.00 179.24 175.29 1zgw h GLN 11 N -0.36 0.00 -0.85 3.56 5.75 0.21 -2.50 115.11 120.92 1zgw h GLN 11 Ca -0.01 0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.63 1zgw h GLN 11 Cb 0.32 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.78 1zgw h GLN 11 CO -0.01 0.68 0.45 0.00 -2.65 0.00 0.00 178.83 177.30 1zgw h ARG 12 N 0.00 0.65 -0.71 1.69 2.47 -0.23 1.43 114.38 119.67 1zgw h ARG 12 Ca -0.14 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.49 1zgw h ARG 12 Cb 1.82 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 29.96 1zgw h ARG 12 CO 0.10 0.43 0.24 2.35 0.56 0.00 0.00 179.97 183.64 1zgw h TRP 13 N 0.67 1.13 0.00 3.04 -0.00 -0.59 0.64 115.95 120.84 1zgw h TRP 13 Ca 0.46 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.89 59.23 1zgw h TRP 13 Cb 0.61 -0.33 -0.00 0.00 -0.00 0.00 0.00 29.16 29.44 1zgw h TRP 13 CO -0.08 0.89 -0.04 0.37 -0.00 0.00 0.00 178.44 179.58 1zgw h GLN 14 N 1.04 0.00 0.00 2.65 5.75 0.17 0.30 115.11 125.02 1zgw h GLN 14 Ca 0.23 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.53 1zgw h GLN 14 Cb 0.28 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1zgw h GLN 14 CO -0.01 0.04 -0.87 0.77 -2.65 0.00 0.00 178.83 176.10 1zgw h SER 15 N 0.00 0.26 0.39 -0.69 0.02 0.39 0.31 113.55 114.24 1zgw h SER 15 Ca -0.00 -0.21 -0.15 0.00 -0.84 0.00 0.00 61.79 60.59 1zgw h SER 15 Cb 0.06 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1zgw h SER 15 CO 0.00 1.01 -0.62 0.58 -1.14 0.00 0.00 176.83 176.67 1zgw h VAL 16 N 0.11 1.39 0.03 2.27 2.07 0.32 0.19 116.25 122.64 1zgw h VAL 16 Ca -0.04 -2.02 -0.30 0.00 0.82 0.00 0.00 66.70 65.16 1zgw h VAL 16 Cb 1.50 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 33.26 1zgw h VAL 16 CO 0.13 0.59 -1.72 -0.07 0.02 0.00 0.00 177.57 176.53 1zgw h LEU 17 N 0.16 0.10 -0.03 2.57 3.38 -0.56 -3.29 115.31 117.65 1zgw h LEU 17 Ca -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1zgw h LEU 17 Cb 1.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1zgw h LEU 17 CO 0.09 1.20 0.00 0.00 0.09 0.00 0.00 178.44 179.82 1zgw n ALA 18 N -2.64 2.25 -3.38 1.53 0.00 0.11 -4.90 120.51 113.47 1zgw n ALA 18 Ca -0.19 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 52.99 1zgw n ALA 18 Cb 1.05 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 19.11 1zgw n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1zgw n ARG 19 N -1.76 -6.44 -2.11 0.00 1.74 0.49 -4.89 116.66 103.70 1zgw n ARG 19 Ca 0.06 0.67 -0.43 0.00 -0.77 0.00 0.00 57.85 57.38 1zgw n ARG 19 Cb 0.35 -5.24 -0.02 0.00 -1.02 0.00 0.00 32.46 26.53 1zgw n ARG 19 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1zgw s ASP 20 N -3.29 6.05 0.00 0.55 2.15 -0.10 -4.64 116.67 117.39 1zgw s ASP 20 Ca 0.46 1.18 0.06 0.00 0.43 0.00 0.00 52.55 54.68 1zgw s ASP 20 Cb -0.20 -2.53 0.35 0.00 -0.30 0.00 0.00 42.92 40.24 1zgw s ASP 20 CO 0.59 -1.61 0.83 -0.81 -0.17 0.00 0.00 175.17 174.00 1zgw n PRO 21 N 8.29 0.52 -0.00 4.34 -0.04 -1.26 -1.82 135.00 145.03 1zgw n PRO 21 Ca 0.21 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.77 1zgw n PRO 21 Cb 0.47 -1.18 -0.12 0.00 -0.04 0.00 0.00 33.50 32.63 1zgw n PRO 21 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1zgw n ASN 22 N -0.68 0.86 -0.23 3.54 5.15 -1.26 -3.98 115.26 118.66 1zgw n ASN 22 Ca 0.04 -0.85 0.06 0.00 -0.60 0.00 0.00 54.58 53.24 1zgw n ASN 22 Cb 0.02 1.13 -0.01 0.00 -0.53 0.00 0.00 39.78 40.39 1zgw n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1zgw n ALA 23 N -1.59 3.09 -2.44 5.20 0.00 -0.76 -4.76 120.51 119.26 1zgw n ALA 23 Ca 0.03 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 1zgw n ALA 23 Cb 0.35 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 1zgw n ALA 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1zgw s ASP 24 N -1.69 7.03 0.00 0.00 2.15 -1.18 -2.00 116.67 120.97 1zgw s ASP 24 Ca 0.09 1.83 0.00 0.00 0.43 0.00 0.00 52.55 54.90 1zgw s ASP 24 Cb 0.10 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1zgw s ASP 24 CO 0.35 -0.61 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 1zgw n GLY 25 N 3.40 2.91 0.12 2.66 0.00 -1.26 0.49 105.19 113.51 1zgw n GLY 25 Ca 0.11 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1zgw n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1zgw h GLU 26 N 0.00 0.25 -4.09 1.61 4.81 -1.65 -3.45 114.58 112.06 1zgw h GLU 26 Ca 0.00 -0.43 -0.15 0.00 -0.13 0.00 0.00 59.36 58.65 1zgw h GLU 26 Cb 0.00 0.16 -0.12 0.00 0.63 0.00 0.00 28.75 29.42 1zgw h GLU 26 CO 0.00 1.21 -0.34 -0.59 -0.73 0.00 0.00 179.01 178.55 1zgw s PHE 27 N -2.44 0.75 0.41 0.92 -0.12 -0.87 -4.31 117.98 112.32 1zgw s PHE 27 Ca -0.17 -1.04 0.03 0.00 -0.05 0.00 0.00 56.93 55.70 1zgw s PHE 27 Cb 0.03 -0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.23 1zgw s PHE 27 CO 0.79 -0.85 0.09 0.14 -0.05 0.00 0.00 175.22 175.34 1zgw s VAL 28 N -4.03 0.89 -0.04 -2.49 -7.23 -0.05 -4.41 120.40 103.03 1zgw s VAL 28 Ca 0.30 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.45 1zgw s VAL 28 Cb 0.03 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.55 1zgw s VAL 28 CO 0.11 0.00 0.07 0.72 -0.31 0.00 0.00 175.10 175.69 1zgw s PHE 29 N -3.15 0.03 -0.36 2.82 -0.12 -1.25 -1.42 117.98 114.53 1zgw s PHE 29 Ca 0.24 0.29 -0.15 0.00 -0.05 0.00 0.00 56.93 57.26 1zgw s PHE 29 Cb 0.04 -0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 41.97 1zgw s PHE 29 CO 0.13 -0.20 0.34 0.00 -0.05 0.00 0.00 175.22 175.44 1zgw s ALA 30 N 2.16 3.49 -0.61 1.99 0.00 0.90 -3.86 121.76 125.83 1zgw s ALA 30 Ca 0.05 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 50.45 1zgw s ALA 30 Cb -0.12 -2.82 0.07 0.00 0.00 0.00 0.00 23.12 20.25 1zgw s ALA 30 CO -0.03 -1.15 0.87 0.08 0.00 0.00 0.00 175.76 175.53 1zgw s VAL 31 N 1.93 4.49 0.50 0.00 1.01 0.41 -0.64 120.40 128.10 1zgw s VAL 31 Ca 0.10 -0.35 0.41 0.00 0.00 0.00 0.00 61.98 62.14 1zgw s VAL 31 Cb -0.17 -4.57 0.43 0.00 0.00 0.00 0.00 36.38 32.07 1zgw s VAL 31 CO 0.11 -1.24 2.26 0.03 0.00 0.00 0.00 175.10 176.26 1zgw h ARG 32 N 9.38 0.00 -0.09 2.72 3.08 0.16 0.38 114.38 130.00 1zgw h ARG 32 Ca -0.28 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 1zgw h ARG 32 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1zgw h ARG 32 CO 1.12 0.00 -0.21 0.00 -1.07 0.00 0.00 179.97 179.81 1zgw h THR 33 N 0.00 1.20 -0.00 2.04 1.03 -1.90 -3.01 112.91 112.27 1zgw h THR 33 Ca -0.00 -0.90 0.00 0.00 -0.01 0.00 0.00 66.41 65.50 1zgw h THR 33 Cb 0.16 1.36 0.00 0.00 -1.07 0.00 0.00 68.15 68.60 1zgw h THR 33 CO 0.00 0.27 0.00 1.07 -0.01 0.00 0.00 175.52 176.85 1zgw n THR 34 N -4.23 0.10 -3.00 0.00 5.66 -0.57 -4.99 114.28 107.25 1zgw n THR 34 Ca -0.01 -0.55 -0.20 0.00 -3.05 0.00 0.00 64.05 60.23 1zgw n THR 34 Cb 0.31 0.96 0.04 0.00 -1.55 0.00 0.00 70.33 70.09 1zgw n THR 34 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1zgw n GLY 35 N 0.00 -0.40 3.47 1.09 0.00 0.12 -4.87 105.19 104.60 1zgw n GLY 35 Ca 0.01 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1zgw n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zgw s ILE 36 N -3.14 1.62 -0.01 -0.61 1.01 -0.87 0.17 121.20 119.37 1zgw s ILE 36 Ca 0.30 -2.08 -0.11 0.00 0.00 0.00 0.00 60.65 58.76 1zgw s ILE 36 Cb -0.13 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.74 1zgw s ILE 36 CO 0.37 -0.18 0.23 0.72 0.00 0.00 0.00 174.94 176.07 1zgw s PHE 37 N -3.01 -0.09 0.55 3.97 -0.12 -1.25 0.16 117.98 118.19 1zgw s PHE 37 Ca 0.32 0.13 0.08 0.00 -0.05 0.00 0.00 56.93 57.41 1zgw s PHE 37 Cb 0.06 0.03 0.06 0.00 -0.63 0.00 0.00 43.02 42.54 1zgw s PHE 37 CO 0.14 -0.32 0.63 1.03 -0.05 0.00 0.00 175.22 176.65 1zgw s ARG 39 N -1.21 2.32 0.54 1.99 0.52 -1.26 -3.79 118.95 118.06 1zgw s ARG 39 Ca -0.13 -1.75 0.33 0.00 -0.52 0.00 0.00 55.73 53.66 1zgw s ARG 39 Cb -0.06 -2.45 1.34 0.00 0.52 0.00 0.00 34.95 34.30 1zgw s ARG 39 CO 0.03 -0.72 1.97 -1.00 0.02 0.00 0.00 175.30 175.60 1zgw h PRO 40 N 0.44 0.00 -0.29 3.54 0.13 -1.83 -3.18 132.00 130.81 1zgw h PRO 40 Ca -0.33 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.63 1zgw h PRO 40 Cb 1.29 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.32 1zgw h PRO 40 CO 0.47 0.02 -0.25 -1.13 -0.23 0.00 0.00 178.00 176.89 1zgw n SER 41 N -3.13 2.50 -4.50 1.44 3.41 -1.26 -2.88 113.62 109.20 1zgw n SER 41 Ca 0.00 -3.83 -0.46 0.00 -0.26 0.00 0.00 58.87 54.33 1zgw n SER 41 Cb 0.31 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 1zgw n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zgw n ARG 43 N 0.82 2.58 -0.10 0.00 1.85 -1.26 -4.56 116.66 115.98 1zgw n ARG 43 Ca 0.13 -2.42 -0.20 0.00 -1.00 0.00 0.00 57.85 54.36 1zgw n ARG 43 Cb 0.30 -1.53 -0.10 0.00 -1.05 0.00 0.00 32.46 30.08 1zgw n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1zgw n ALA 44 N 1.54 0.76 0.00 2.89 0.00 -1.26 -5.10 120.51 119.35 1zgw n ALA 44 Ca 0.21 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1zgw n ALA 44 Cb 0.61 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1zgw n ALA 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1zgw n ARG 45 N -4.45 -2.22 -4.05 0.00 0.63 -1.26 -5.19 116.66 100.12 1zgw n ARG 45 Ca -0.30 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.55 1zgw n ARG 45 Cb 0.65 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.46 1zgw n ARG 45 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1zgw s HIS 46 N -2.67 0.47 0.27 -0.14 3.76 -1.26 -4.94 115.29 110.79 1zgw s HIS 46 Ca 0.00 -0.99 0.12 0.00 -0.15 0.00 0.00 55.06 54.03 1zgw s HIS 46 Cb 0.00 -0.34 -0.05 0.00 1.11 0.00 0.00 32.58 33.30 1zgw s HIS 46 CO 0.00 -0.42 -0.19 0.00 -0.85 0.00 0.00 174.74 173.29 1zgw s ALA 47 N -3.92 2.76 0.92 -1.40 0.00 -1.26 -5.11 121.76 113.75 1zgw s ALA 47 Ca 0.07 -1.83 -0.13 0.00 0.00 0.00 0.00 51.96 50.08 1zgw s ALA 47 Cb 0.07 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.92 1zgw s ALA 47 CO -0.10 0.30 0.50 1.28 0.00 0.00 0.00 175.76 177.75 1zgw n LEU 48 N -0.53 0.32 0.19 0.00 4.77 -1.26 -4.85 117.00 115.63 1zgw n LEU 48 Ca -0.06 0.37 0.03 0.00 -0.03 0.00 0.00 56.01 56.32 1zgw n LEU 48 Cb 0.59 -1.24 0.41 0.00 -2.33 0.00 0.00 43.42 40.86 1zgw n LEU 48 CO 0.37 -3.40 0.81 -0.09 -1.33 0.00 0.00 177.39 173.75 1zgw h ARG 49 N -1.46 0.04 -0.79 3.23 2.43 -2.00 -3.20 114.38 112.64 1zgw h ARG 49 Ca -0.44 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 58.79 1zgw h ARG 49 Cb 1.29 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.74 1zgw h ARG 49 CO 0.36 0.31 -0.46 -1.91 -1.51 0.00 0.00 179.97 176.75 1zgw n GLU 50 N -4.20 -0.35 -0.39 0.20 0.00 -1.26 0.11 120.64 114.76 1zgw n GLU 50 Ca -0.02 1.40 0.04 0.00 0.00 0.00 0.00 57.16 58.58 1zgw n GLU 50 Cb 0.33 -2.06 0.20 0.00 0.00 0.00 0.00 31.44 29.91 1zgw n GLU 50 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1zgw n ASN 51 N -4.77 3.03 -4.46 4.31 3.02 -1.22 -4.84 115.26 110.33 1zgw n ASN 51 Ca 0.02 -2.35 -0.33 0.00 -0.03 0.00 0.00 54.58 51.89 1zgw n ASN 51 Cb 0.20 -0.50 -0.13 0.00 -0.61 0.00 0.00 39.78 38.74 1zgw n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1zgw s VAL 52 N -1.79 3.42 0.41 2.41 1.01 0.31 0.18 120.40 126.34 1zgw s VAL 52 Ca 0.27 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1zgw s VAL 52 Cb 0.19 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1zgw s VAL 52 CO 0.11 0.54 0.07 -0.94 0.00 0.00 0.00 175.10 174.88 1zgw s SER 53 N -0.04 3.08 0.10 3.32 1.04 0.19 -4.85 113.70 116.55 1zgw s SER 53 Ca -0.01 -1.57 0.08 0.00 0.48 0.00 0.00 55.95 54.93 1zgw s SER 53 Cb -0.14 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 1zgw s SER 53 CO 0.03 -0.79 -0.20 -0.36 0.98 0.00 0.00 173.24 172.91 1zgw s PHE 54 N -3.11 1.69 0.07 5.02 0.40 -1.26 -0.07 117.98 120.72 1zgw s PHE 54 Ca 0.24 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1zgw s PHE 54 Cb 0.05 -0.92 -0.03 0.00 0.51 0.00 0.00 43.02 42.62 1zgw s PHE 54 CO 0.12 0.18 -0.07 0.71 0.70 0.00 0.00 175.22 176.87 1zgw s TYR 55 N -1.22 0.78 0.15 0.36 2.02 -0.51 -4.90 117.35 114.03 1zgw s TYR 55 Ca 0.05 -0.70 -0.10 0.00 -0.37 0.00 0.00 57.07 55.95 1zgw s TYR 55 Cb -0.10 -0.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.97 1zgw s TYR 55 CO 0.04 -0.12 1.48 0.00 -1.57 0.00 0.00 175.55 175.38 1zgw h ALA 56 N 3.74 0.58 -2.37 3.71 0.00 -1.90 -0.09 119.26 122.93 1zgw h ALA 56 Ca -0.36 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 53.90 1zgw h ALA 56 Cb 1.18 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.71 1zgw h ALA 56 CO 0.52 0.68 -0.66 0.54 0.00 0.00 0.00 179.25 180.34 1zgw s ASN 57 N -6.85 0.50 0.57 0.00 2.20 -1.26 -3.61 114.94 106.48 1zgw s ASN 57 Ca -0.11 -1.17 0.32 0.00 -0.94 0.00 0.00 52.86 50.96 1zgw s ASN 57 Cb 0.11 0.25 1.73 0.00 -2.00 0.00 0.00 41.25 41.34 1zgw s ASN 57 CO 0.88 -0.68 2.17 0.00 -2.94 0.00 0.00 177.10 176.53 1zgw h ALA 58 N 2.88 1.25 -0.20 3.54 0.00 -1.93 -1.94 119.26 122.86 1zgw h ALA 58 Ca -0.35 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 1zgw h ALA 58 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1zgw h ALA 58 CO 0.61 0.07 -0.52 1.03 0.00 0.00 0.00 179.25 180.44 1zgw h SER 59 N 0.00 0.62 -0.04 0.00 0.87 -1.96 0.86 113.55 113.90 1zgw h SER 59 Ca -0.00 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1zgw h SER 59 Cb 0.21 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1zgw h SER 59 CO 0.01 1.03 0.02 -0.08 -0.53 0.00 0.00 176.83 177.28 1zgw h GLU 60 N 0.44 0.06 -0.71 2.24 4.57 -1.77 1.09 114.58 120.51 1zgw h GLU 60 Ca 0.02 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1zgw h GLU 60 Cb 1.05 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.59 1zgw h GLU 60 CO 0.10 0.17 0.46 0.00 -1.18 0.00 0.00 179.01 178.56 1zgw h ALA 61 N 0.89 0.91 0.00 2.92 0.00 -1.27 0.28 119.26 123.00 1zgw h ALA 61 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1zgw h ALA 61 Cb 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1zgw h ALA 61 CO -0.00 0.28 -0.08 -0.07 0.00 0.00 0.00 179.25 179.38 1zgw h LEU 62 N 0.92 0.00 -0.24 0.00 3.38 0.16 0.83 115.31 120.36 1zgw h LEU 62 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1zgw h LEU 62 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1zgw h LEU 62 CO -0.08 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1zgw h ALA 63 N 1.92 1.00 0.00 1.53 0.00 0.48 -3.04 119.26 121.15 1zgw h ALA 63 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zgw h ALA 63 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1zgw h ALA 63 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1zgw n ALA 64 N -2.04 2.57 -2.01 0.00 0.00 0.28 -4.85 120.51 114.46 1zgw n ALA 64 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1zgw n ALA 64 Cb 0.47 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1zgw n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zgw n GLY 65 N 0.80 0.94 3.69 0.00 0.00 -1.15 -5.08 105.19 104.39 1zgw n GLY 65 Ca 0.21 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 1zgw n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1zgw s PHE 66 N -2.75 2.70 -0.36 1.61 0.40 -1.23 -5.00 117.98 113.36 1zgw s PHE 66 Ca 0.00 -0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 55.87 1zgw s PHE 66 Cb 0.00 -1.46 -0.01 0.00 0.51 0.00 0.00 43.02 42.06 1zgw s PHE 66 CO 0.00 0.46 0.27 1.03 0.70 0.00 0.00 175.22 177.68 1zgw s ARG 67 N -3.77 3.39 0.22 0.44 0.52 0.13 -4.71 118.95 115.17 1zgw s ARG 67 Ca 0.35 -0.70 -0.31 0.00 -0.52 0.00 0.00 55.73 54.55 1zgw s ARG 67 Cb -0.04 -3.84 -0.11 0.00 0.52 0.00 0.00 34.95 31.48 1zgw s ARG 67 CO 0.21 -0.52 1.56 -1.25 0.02 0.00 0.00 175.30 175.33 1zgw s PRO 68 N 1.75 4.19 -0.17 3.54 0.04 -1.26 -3.79 135.00 139.30 1zgw s PRO 68 Ca 0.06 2.43 -0.28 0.00 0.04 0.00 0.00 61.00 63.25 1zgw s PRO 68 Cb -0.18 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.21 1zgw s PRO 68 CO 0.11 -0.58 2.18 0.00 0.04 0.00 0.00 177.00 178.74 1zgw n LYS 70 N 8.52 0.00 -0.11 0.00 4.81 -1.26 0.83 118.16 130.95 1zgw n LYS 70 Ca 0.28 0.18 -0.17 0.00 -0.87 0.00 0.00 58.31 57.73 1zgw n LYS 70 Cb 0.44 -1.60 -0.13 0.00 0.02 0.00 0.00 35.03 33.76 1zgw n LYS 70 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1zgw n ARG 71 N -1.10 0.67 -0.01 1.64 3.00 -1.26 -4.09 116.66 115.51 1zgw n ARG 71 Ca 0.00 0.14 0.13 0.00 -0.00 0.00 0.00 57.85 58.12 1zgw n ARG 71 Cb 0.10 -1.55 0.30 0.00 0.00 0.00 0.00 32.46 31.32 1zgw n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1zgw n GLN 73 N 0.79 0.55 0.09 0.00 0.00 0.24 -4.56 117.38 114.49 1zgw n GLN 73 Ca 0.16 0.29 0.13 0.00 -0.00 0.00 0.00 57.00 57.58 1zgw n GLN 73 Cb 0.48 -1.51 0.34 0.00 0.00 0.00 0.00 30.24 29.56 1zgw n GLN 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1zgw n PRO 74 N -4.38 0.26 -1.50 3.69 -0.04 -1.26 -4.89 135.00 126.87 1zgw n PRO 74 Ca -0.33 0.16 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 1zgw n PRO 74 Cb 0.67 -1.75 0.22 0.00 -0.04 0.00 0.00 33.50 32.60 1zgw n PRO 74 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1zgw s ASP 75 N -4.35 1.89 -0.30 3.54 -4.77 -1.25 -5.03 116.67 106.40 1zgw s ASP 75 Ca 0.09 0.41 -0.07 0.00 -3.30 0.00 0.00 52.55 49.68 1zgw s ASP 75 Cb 0.13 -0.52 0.01 0.00 -1.09 0.00 0.00 42.92 41.44 1zgw s ASP 75 CO 0.63 -3.50 0.10 -0.54 0.70 0.00 0.00 175.17 172.56 1zgw s LYS 76 N -5.68 3.13 0.00 2.11 -0.14 -1.26 -5.01 119.74 112.89 1zgw s LYS 76 Ca 0.73 -0.84 0.00 0.00 -1.36 0.00 0.00 55.97 54.50 1zgw s LYS 76 Cb -0.06 -3.42 0.00 0.00 -1.68 0.00 0.00 37.83 32.67 1zgw s LYS 76 CO 0.55 -0.45 0.00 0.00 -0.76 0.00 0.00 175.35 174.69 1zgw n ALA 77 N 4.89 0.00 0.22 5.17 0.00 -1.26 -3.72 120.51 125.82 1zgw n ALA 77 Ca -0.14 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1zgw n ALA 77 Cb 0.48 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.57 1zgw n ALA 77 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1zgw h ASN 78 N 0.00 0.01 0.00 0.00 -0.26 1.12 1.22 115.58 117.67 1zgw h ASN 78 Ca 0.00 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1zgw h ASN 78 Cb 0.00 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1zgw h ASN 78 CO 0.00 0.00 0.03 1.55 -1.06 0.00 0.00 177.43 177.96 1zgw h PRO 79 N 0.01 0.00 0.11 0.81 0.13 -1.83 -2.43 132.00 128.79 1zgw h PRO 79 Ca 0.03 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.17 1zgw h PRO 79 Cb 0.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.23 1zgw h PRO 79 CO -0.00 0.00 -0.34 -0.09 -0.23 0.00 0.00 178.00 177.34 1zgw h ARG 80 N 0.00 -0.49 -1.02 0.86 9.65 0.15 -0.14 114.38 123.38 1zgw h ARG 80 Ca 0.00 0.03 0.26 0.00 -1.10 0.00 0.00 59.98 59.18 1zgw h ARG 80 Cb 0.07 0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 28.68 1zgw h ARG 80 CO 0.00 -0.33 0.68 1.96 2.80 0.00 0.00 179.97 185.08 1zgw h GLN 81 N -0.51 0.30 -0.38 0.20 4.20 -1.59 0.73 115.11 118.05 1zgw h GLN 81 Ca -0.01 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 1zgw h GLN 81 Cb 0.50 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1zgw h GLN 81 CO -0.17 0.20 -0.25 1.25 -0.67 0.00 0.00 178.83 179.19 1zgw h HIS 82 N 0.31 0.99 0.00 2.96 -0.00 -1.28 -0.91 115.15 117.22 1zgw h HIS 82 Ca 0.55 -0.26 -0.04 0.00 -0.00 0.00 0.00 60.37 60.62 1zgw h HIS 82 Cb 1.56 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 28.74 1zgw h HIS 82 CO -0.00 1.04 -0.17 -0.09 -0.00 0.00 0.00 177.93 178.71 1zgw h ARG 83 N 0.65 0.00 0.01 5.26 2.43 0.81 -1.30 114.38 122.24 1zgw h ARG 83 Ca 0.08 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.06 1zgw h ARG 83 Cb 0.82 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1zgw h ARG 83 CO 0.07 0.17 -0.90 1.25 -1.51 0.00 0.00 179.97 179.05 1zgw h LEU 84 N 0.00 0.06 -1.17 3.80 7.12 -0.60 -2.70 115.31 121.83 1zgw h LEU 84 Ca -0.00 -0.05 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 1zgw h LEU 84 Cb 0.52 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.60 1zgw h LEU 84 CO 0.02 0.93 0.40 0.44 -0.13 0.00 0.00 178.44 180.10 1zgw h ASP 85 N 0.02 0.86 -0.17 1.25 3.32 -0.02 -1.92 116.42 119.76 1zgw h ASP 85 Ca -0.02 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1zgw h ASP 85 Cb 1.58 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 1zgw h ASP 85 CO 0.12 0.69 0.02 0.50 -1.72 0.00 0.00 179.24 178.84 1zgw h LYS 86 N 0.98 0.07 -0.96 3.56 1.63 -1.13 -2.29 116.57 118.44 1zgw h LYS 86 Ca 0.25 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1zgw h LYS 86 Cb 0.00 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.57 1zgw h LYS 86 CO -0.04 0.05 0.63 0.82 -3.45 0.00 0.00 179.45 177.46 1zgw h ILE 87 N 0.08 1.22 -0.90 2.00 1.08 -1.15 -0.37 117.51 119.47 1zgw h ILE 87 Ca 0.08 -0.44 0.15 0.00 -0.39 0.00 0.00 64.86 64.26 1zgw h ILE 87 Cb 0.08 -0.16 -0.10 0.00 -3.07 0.00 0.00 36.82 33.58 1zgw h ILE 87 CO -0.12 0.23 0.49 0.74 -0.69 0.00 0.00 178.15 178.81 1zgw h THR 88 N 1.27 0.74 -0.90 -0.27 2.02 -0.85 1.45 112.91 116.37 1zgw h THR 88 Ca 0.36 -0.24 0.09 0.00 0.77 0.00 0.00 66.41 67.39 1zgw h THR 88 Cb -0.11 -0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 66.23 1zgw h THR 88 CO -0.09 0.13 0.55 -0.74 0.37 0.00 0.00 175.52 175.74 1zgw h HIS 89 N 0.69 1.01 -0.60 3.16 6.17 -0.71 0.80 115.15 125.68 1zgw h HIS 89 Ca 0.49 0.03 0.14 0.00 0.71 0.00 0.00 60.37 61.74 1zgw h HIS 89 Cb 0.69 -0.32 -0.03 0.00 2.52 0.00 0.00 27.41 30.26 1zgw h HIS 89 CO -0.07 0.46 0.41 0.00 0.71 0.00 0.00 177.93 179.45 1zgw h ALA 90 N 1.46 2.29 0.31 5.26 0.00 0.24 0.14 119.26 128.96 1zgw h ALA 90 Ca 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1zgw h ALA 90 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1zgw h ALA 90 CO -0.22 -0.45 -0.15 0.00 0.00 0.00 0.00 179.25 178.43 1zgw h ARG 92 N -0.51 -0.33 -0.93 0.00 9.65 -0.54 -1.92 114.38 119.80 1zgw h ARG 92 Ca -0.04 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.94 1zgw h ARG 92 Cb 0.38 0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.96 1zgw h ARG 92 CO 0.07 -0.22 0.58 1.25 2.80 0.00 0.00 179.97 184.45 1zgw h LEU 93 N -0.35 0.89 -0.12 3.80 5.85 -1.20 1.51 115.31 125.70 1zgw h LEU 93 Ca 0.11 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1zgw h LEU 93 Cb 0.52 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1zgw h LEU 93 CO -0.38 0.53 0.00 0.18 -0.34 0.00 0.00 178.44 178.44 1zgw n LEU 94 N -4.61 0.11 0.00 2.25 4.32 -0.44 -2.74 117.00 115.89 1zgw n LEU 94 Ca 0.15 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.67 1zgw n LEU 94 Cb 0.24 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 1zgw n LEU 94 CO 0.30 -0.31 0.08 1.21 -1.22 0.00 0.00 177.39 177.44 1zgw n GLU 95 N -1.62 1.05 -0.08 3.23 4.07 -0.58 -4.83 120.64 121.87 1zgw n GLU 95 Ca 0.03 -0.15 -0.12 0.00 -0.06 0.00 0.00 57.16 56.86 1zgw n GLU 95 Cb 0.17 -0.56 -0.06 0.00 -0.06 0.00 0.00 31.44 30.94 1zgw n GLU 95 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1zgw n GLN 96 N -0.19 0.50 0.00 5.31 7.27 0.51 -4.97 117.38 125.80 1zgw n GLN 96 Ca 0.00 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.62 1zgw n GLN 96 Cb 0.08 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 31.01 1zgw n GLN 96 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1zgw n GLU 97 N -4.54 2.50 -0.02 3.69 -0.00 -1.11 -5.05 120.64 116.11 1zgw n GLU 97 Ca -0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 56.96 1zgw n GLU 97 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 31.44 31.87 1zgw n GLU 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1zgw n THR 98 N 0.00 0.48 -2.04 3.84 -1.04 -1.26 -4.96 114.28 109.30 1zgw n THR 98 Ca 0.00 0.32 -0.40 0.00 -2.04 0.00 0.00 64.05 61.92 1zgw n THR 98 Cb 0.00 -1.63 -0.01 0.00 -1.82 0.00 0.00 70.33 66.86 1zgw n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1zgw s PRO 99 N -1.56 4.22 0.34 -2.82 0.04 -1.26 -4.98 135.00 128.99 1zgw s PRO 99 Ca -0.07 2.28 -0.26 0.00 0.04 0.00 0.00 61.00 62.99 1zgw s PRO 99 Cb 0.01 -2.98 -0.09 0.00 0.04 0.00 0.00 34.50 31.47 1zgw s PRO 99 CO 0.11 -0.32 1.00 0.08 0.04 0.00 0.00 177.00 177.91 1zgw s VAL 100 N -1.16 3.94 -0.38 -0.36 1.01 -1.26 -4.90 120.40 117.28 1zgw s VAL 100 Ca 0.51 1.61 0.01 0.00 0.00 0.00 0.00 61.98 64.11 1zgw s VAL 100 Cb -0.41 -3.89 0.11 0.00 0.00 0.00 0.00 36.38 32.19 1zgw s VAL 100 CO 0.54 0.13 0.13 0.42 0.00 0.00 0.00 175.10 176.32 1zgw s THR 101 N -1.57 2.70 0.00 3.92 -4.23 -1.26 -4.71 115.64 110.50 1zgw s THR 101 Ca 0.52 -2.32 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1zgw s THR 101 Cb -0.22 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1zgw s THR 101 CO 0.27 -0.65 0.12 0.18 -0.54 0.00 0.00 174.62 174.00 1zgw n LEU 102 N 4.28 0.24 -0.34 4.79 4.32 -1.26 -4.84 117.00 124.19 1zgw n LEU 102 Ca 0.02 -0.34 0.17 0.00 -0.02 0.00 0.00 56.01 55.84 1zgw n LEU 102 Cb 0.41 0.00 0.34 0.00 -1.62 0.00 0.00 43.42 42.55 1zgw n LEU 102 CO 0.27 0.06 0.85 -0.08 -1.22 0.00 0.00 177.39 177.27 1zgw h GLU 103 N 0.00 0.01 -0.24 3.23 4.57 -1.98 0.90 114.58 121.07 1zgw h GLU 103 Ca 0.00 -0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.00 1zgw h GLU 103 Cb 0.16 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1zgw h GLU 103 CO 0.00 0.01 -0.56 0.00 -1.18 0.00 0.00 179.01 177.28 1zgw h ALA 104 N 1.98 0.56 0.27 2.92 0.00 -1.99 -1.37 119.26 121.63 1zgw h ALA 104 Ca 0.64 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1zgw h ALA 104 Cb 1.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1zgw h ALA 104 CO -0.89 0.69 -0.13 -0.07 0.00 0.00 0.00 179.25 178.85 1zgw h LEU 105 N 0.56 -0.30 -1.12 0.00 3.38 0.09 -1.79 115.31 116.13 1zgw h LEU 105 Ca 0.01 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 57.87 1zgw h LEU 105 Cb 1.14 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1zgw h LEU 105 CO 0.12 0.12 0.60 0.00 0.09 0.00 0.00 178.44 179.37 1zgw h ALA 106 N -0.26 1.60 -0.75 1.53 0.00 0.35 0.31 119.26 122.04 1zgw h ALA 106 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1zgw h ALA 106 Cb 0.51 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1zgw h ALA 106 CO 0.06 0.19 0.44 -0.44 0.00 0.00 0.00 179.25 179.50 1zgw h ASP 107 N 0.93 0.91 0.51 0.00 5.19 -1.18 0.70 116.42 123.49 1zgw h ASP 107 Ca 0.45 -0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.76 1zgw h ASP 107 Cb 0.46 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.74 1zgw h ASP 107 CO -0.21 0.72 -0.25 -0.61 -3.12 0.00 0.00 179.24 175.77 1zgw h GLN 108 N 1.03 -0.66 0.00 3.56 4.15 -0.09 -2.68 115.11 120.41 1zgw h GLN 108 Ca 0.27 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.73 1zgw h GLN 108 Cb -0.01 0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.83 1zgw h GLN 108 CO -0.05 -0.36 0.00 0.28 -1.93 0.00 0.00 178.83 176.77 1zgw h VAL 109 N -0.92 0.00 -0.01 2.39 2.07 -1.01 -3.46 116.25 115.32 1zgw h VAL 109 Ca -0.07 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1zgw h VAL 109 Cb 0.61 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1zgw h VAL 109 CO 0.12 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.70 1zgw n ALA 110 N -2.08 -0.00 -3.00 1.67 0.00 0.23 -5.01 120.51 112.32 1zgw n ALA 110 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1zgw n ALA 110 Cb 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1zgw n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zgw n MET 111 N -2.96 0.00 -1.10 0.00 0.00 -0.57 -4.97 117.12 107.52 1zgw n MET 111 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.41 1zgw n MET 111 Cb 0.01 0.00 0.19 0.00 0.00 0.00 0.00 33.22 33.42 1zgw n MET 111 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1zgw s SER 112 N 0.12 2.22 0.55 3.17 0.15 -1.26 -4.46 113.70 114.19 1zgw s SER 112 Ca 0.00 1.15 0.25 0.00 0.70 0.00 0.00 55.95 58.04 1zgw s SER 112 Cb 0.00 -1.79 1.57 0.00 -1.71 0.00 0.00 66.02 64.09 1zgw s SER 112 CO 0.00 -3.38 2.18 1.55 1.20 0.00 0.00 173.24 174.79 1zgw h PRO 113 N -2.06 0.00 -0.40 5.44 0.13 -1.95 -2.32 132.00 130.84 1zgw h PRO 113 Ca -0.55 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.47 1zgw h PRO 113 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1zgw h PRO 113 CO 0.56 0.04 -0.20 0.74 -0.23 0.00 0.00 178.00 178.90 1zgw h PHE 114 N 0.00 0.86 -0.05 1.56 -1.00 -2.00 -1.89 116.94 114.42 1zgw h PHE 114 Ca -0.00 -0.19 -0.13 0.00 2.81 0.00 0.00 57.97 60.47 1zgw h PHE 114 Cb 0.08 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.42 1zgw h PHE 114 CO 0.00 0.90 -0.55 1.25 -1.61 0.00 0.00 178.31 178.30 1zgw h HIS 115 N 0.67 0.18 -0.55 -0.55 2.76 -1.78 -1.65 115.15 114.23 1zgw h HIS 115 Ca 0.10 -0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.26 1zgw h HIS 115 Cb 0.70 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.57 1zgw h HIS 115 CO 0.04 0.66 0.27 1.25 -1.30 0.00 0.00 177.93 178.85 1zgw h LEU 116 N 0.11 0.39 -0.34 0.26 7.12 -1.39 0.30 115.31 121.76 1zgw h LEU 116 Ca -0.00 0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.08 1zgw h LEU 116 Cb 1.00 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 41.06 1zgw h LEU 116 CO 0.08 0.26 0.14 0.45 -0.13 0.00 0.00 178.44 179.24 1zgw h HIS 117 N 0.53 0.25 -0.88 1.25 3.86 -0.99 0.37 115.15 119.54 1zgw h HIS 117 Ca 0.25 0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.60 1zgw h HIS 117 Cb 0.17 -0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.51 1zgw h HIS 117 CO -0.10 0.12 0.57 -0.09 0.86 0.00 0.00 177.93 179.28 1zgw h ARG 118 N 0.30 0.73 -0.12 2.45 9.65 -0.04 -1.29 114.38 126.06 1zgw h ARG 118 Ca 0.15 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.95 1zgw h ARG 118 Cb 0.10 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.51 1zgw h ARG 118 CO -0.14 0.48 -0.07 1.25 2.80 0.00 0.00 179.97 184.29 1zgw h LEU 119 N 0.75 0.27 -1.12 3.80 7.12 0.11 -0.65 115.31 125.59 1zgw h LEU 119 Ca 0.43 -0.43 0.23 0.00 0.13 0.00 0.00 57.88 58.23 1zgw h LEU 119 Cb 0.59 -0.08 -0.11 0.00 -0.53 0.00 0.00 40.66 40.54 1zgw h LEU 119 CO -0.19 0.65 0.62 0.15 -0.13 0.00 0.00 178.44 179.54 1zgw h PHE 120 N -0.10 0.93 -0.05 1.25 3.04 0.10 0.21 116.94 122.32 1zgw h PHE 120 Ca 0.02 0.03 -0.25 0.00 3.98 0.00 0.00 57.97 61.75 1zgw h PHE 120 Cb 0.55 -0.27 0.02 0.00 2.56 0.00 0.00 35.95 38.81 1zgw h PHE 120 CO 0.07 0.13 -0.96 -0.22 -2.02 0.00 0.00 178.31 175.31 1zgw h LYS 121 N 0.59 0.71 0.43 1.11 3.64 -1.13 -0.62 116.57 121.31 1zgw h LYS 121 Ca 0.60 -0.70 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1zgw h LYS 121 Cb 1.18 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 1zgw h LYS 121 CO -0.39 1.29 -0.27 0.00 -2.27 0.00 0.00 179.45 177.81 1zgw h ALA 122 N 0.48 -0.68 0.52 5.00 0.00 0.89 1.58 119.26 127.04 1zgw h ALA 122 Ca -0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1zgw h ALA 122 Cb 1.60 0.34 0.01 0.00 0.00 0.00 0.00 17.79 19.74 1zgw h ALA 122 CO 0.19 -0.90 -0.25 1.15 0.00 0.00 0.00 179.25 179.44 1zgw h THR 123 N -0.68 0.00 -0.85 0.00 2.02 -0.90 -3.07 112.91 109.43 1zgw h THR 123 Ca -0.05 -0.44 0.21 0.00 0.77 0.00 0.00 66.41 66.90 1zgw h THR 123 Cb 0.56 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1zgw h THR 123 CO 0.04 0.00 0.58 0.00 0.37 0.00 0.00 175.52 176.52 1zgw h THR 124 N -1.14 0.65 0.00 3.16 1.03 -1.17 -3.46 112.91 111.98 1zgw h THR 124 Ca -0.07 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1zgw h THR 124 Cb 0.53 0.39 0.00 0.00 -1.07 0.00 0.00 68.15 68.00 1zgw h THR 124 CO 0.12 0.04 0.00 0.61 -0.01 0.00 0.00 175.52 176.28 1zgw n GLY 125 N -1.59 2.60 2.70 2.99 0.00 0.54 -4.94 105.19 107.48 1zgw n GLY 125 Ca 0.18 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 1zgw n GLY 125 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1zgw n MET 126 N 0.00 1.17 -2.70 1.61 0.00 -0.99 -4.71 117.12 111.50 1zgw n MET 126 Ca 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 57.70 55.91 1zgw n MET 126 Cb 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 33.22 33.24 1zgw n MET 126 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1zgw n THR 127 N -0.65 0.00 0.00 2.03 -1.04 -1.26 -5.01 114.28 108.35 1zgw n THR 127 Ca -0.05 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 1zgw n THR 127 Cb 0.84 0.81 0.00 0.00 -1.82 0.00 0.00 70.33 70.16 1zgw n THR 127 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1zgw n PRO 128 N 2.56 0.00 0.32 -2.82 -0.04 -1.26 -2.98 135.00 130.78 1zgw n PRO 128 Ca 0.13 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.79 1zgw n PRO 128 Cb 0.63 0.00 1.11 0.00 -0.04 0.00 0.00 33.50 35.19 1zgw n PRO 128 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1zgw h LYS 129 N 0.00 0.00 -0.06 0.54 1.63 -1.89 0.12 116.57 116.90 1zgw h LYS 129 Ca 0.00 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.70 1zgw h LYS 129 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1zgw h LYS 129 CO 0.00 0.00 -0.41 0.00 -3.45 0.00 0.00 179.45 175.59 1zgw h ALA 130 N 2.00 1.19 -0.59 5.00 0.00 -1.94 -1.42 119.26 123.50 1zgw h ALA 130 Ca -0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1zgw h ALA 130 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1zgw h ALA 130 CO 0.00 0.56 0.16 -1.49 0.00 0.00 0.00 179.25 178.49 1zgw h TRP 131 N 0.12 0.97 -0.81 0.00 -0.00 -0.66 0.15 115.95 115.71 1zgw h TRP 131 Ca 0.01 -0.11 0.11 0.00 -0.00 0.00 0.00 58.89 58.91 1zgw h TRP 131 Cb 0.79 -0.28 -0.06 0.00 -0.00 0.00 0.00 29.16 29.61 1zgw h TRP 131 CO 0.01 0.82 0.53 0.37 -0.00 0.00 0.00 178.44 180.16 1zgw h GLN 132 N 0.84 0.66 -0.09 0.49 -0.00 -1.22 0.13 115.11 115.93 1zgw h GLN 132 Ca 0.19 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.78 1zgw h GLN 132 Cb 0.32 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 27.65 1zgw h GLN 132 CO -0.00 0.44 -0.01 0.37 0.00 0.00 0.00 178.83 179.62 1zgw h GLN 133 N 0.68 0.16 -0.96 1.69 4.15 -0.03 -1.68 115.11 119.11 1zgw h GLN 133 Ca 0.39 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.79 1zgw h GLN 133 Cb 0.57 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.19 1zgw h GLN 133 CO -0.15 0.45 0.62 0.00 -1.93 0.00 0.00 178.83 177.82 1zgw h ALA 134 N 0.71 1.29 -0.18 3.38 0.00 0.25 0.50 119.26 125.20 1zgw h ALA 134 Ca 0.02 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1zgw h ALA 134 Cb 0.38 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1zgw h ALA 134 CO 0.01 0.48 -0.15 -1.49 0.00 0.00 0.00 179.25 178.09 1zgw h TRP 135 N 1.19 -0.39 0.00 0.00 -0.00 -0.60 0.28 115.95 116.43 1zgw h TRP 135 Ca 0.39 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.30 1zgw h TRP 135 Cb 0.04 0.20 -0.00 0.00 -0.00 0.00 0.00 29.16 29.40 1zgw h TRP 135 CO -0.01 -0.22 -0.05 -0.09 -0.00 0.00 0.00 178.44 178.07 1zgw h ARG 136 N -0.17 0.00 0.25 0.49 2.43 -0.25 0.18 114.38 117.31 1zgw h ARG 136 Ca 0.11 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.95 1zgw h ARG 136 Cb 0.33 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 29.92 1zgw h ARG 136 CO -0.28 0.05 -1.44 0.00 -1.51 0.00 0.00 179.97 176.78 1zgw h ALA 137 N 1.95 -0.16 0.00 2.80 0.00 0.16 -3.31 119.26 120.70 1zgw h ALA 137 Ca -0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 54.91 53.99 1zgw h ALA 137 Cb 0.15 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1zgw h ALA 137 CO 0.01 0.68 -0.70 -0.09 0.00 0.00 0.00 179.25 179.14 1zgw h ARG 138 N 0.13 0.00 0.00 0.00 2.43 -0.51 -3.51 114.38 112.92 1zgw h ARG 138 Ca -0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1zgw h ARG 138 Cb 2.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.69 1zgw h ARG 138 CO 0.27 0.25 0.00 -2.13 -1.51 0.00 0.00 179.97 176.85