#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 3.57 -0.40 0.03 -0.14 -1.26 -5.00 119.74 116.53 1zgw s LYS 2 Ca 0.00 -0.49 0.03 0.00 -1.36 0.00 0.00 55.97 54.15 1zgw s LYS 2 Cb 0.00 -3.79 0.17 0.00 -1.68 0.00 0.00 37.83 32.52 1zgw s LYS 2 CO 0.00 -0.47 0.34 0.15 -0.76 0.00 0.00 175.35 174.61 1zgw s LYS 3 N 1.88 0.84 0.00 1.68 1.02 -1.26 -5.04 119.74 118.87 1zgw s LYS 3 Ca 0.09 -1.88 0.00 0.00 0.02 0.00 0.00 55.97 54.20 1zgw s LYS 3 Cb -0.17 -1.30 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 1zgw s LYS 3 CO 0.11 -1.35 0.00 0.00 -0.92 0.00 0.00 175.35 173.19 1zgw n ALA 4 N 3.10 0.00 -3.58 5.17 0.00 -1.26 -5.08 120.51 118.85 1zgw n ALA 4 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 1zgw n ALA 4 Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.79 1zgw n ALA 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1zgw s THR 5 N 1.12 0.91 -0.04 0.00 2.01 -1.26 -4.78 115.64 113.60 1zgw s THR 5 Ca 0.00 -2.46 0.00 0.00 0.31 0.00 0.00 61.69 59.54 1zgw s THR 5 Cb 0.00 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.87 1zgw s THR 5 CO 0.00 -1.01 0.00 0.00 -0.69 0.00 0.00 174.62 172.92 1zgw n LEU 7 N -0.05 0.00 -3.50 0.00 4.77 -1.26 -4.76 117.00 112.20 1zgw n LEU 7 Ca -0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.57 1zgw n LEU 7 Cb 0.25 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1zgw n LEU 7 CO 0.01 0.00 3.07 0.41 -1.33 0.00 0.00 177.39 179.54 1zgw n THR 8 N -1.73 3.88 -0.57 -5.08 -1.04 -1.26 -4.69 114.28 103.79 1zgw n THR 8 Ca -0.00 -2.75 0.46 0.00 -2.04 0.00 0.00 64.05 59.72 1zgw n THR 8 Cb 0.22 -2.61 0.74 0.00 -1.82 0.00 0.00 70.33 66.87 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 4.76 0.12 -0.02 8.00 5.75 -1.26 0.16 116.55 134.05 1zgw n ASP 9 Ca 0.66 1.22 -0.09 0.00 -0.01 0.00 0.00 54.79 56.57 1zgw n ASP 9 Cb 0.30 -0.60 -0.04 0.00 -1.03 0.00 0.00 41.12 39.75 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 -0.07 1.10 -1.12 3.32 -2.00 0.28 116.42 117.94 1zgw h ASP 10 Ca 0.91 0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.81 1zgw h ASP 10 Cb 3.23 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 42.82 1zgw h ASP 10 CO -0.27 -0.01 -0.91 -0.61 -1.72 0.00 0.00 179.24 175.71 1zgw h GLN 11 N 0.04 0.00 -0.79 3.56 5.75 0.12 -2.30 115.11 121.49 1zgw h GLN 11 Ca 0.07 0.00 0.13 0.00 -0.15 0.00 0.00 58.65 58.70 1zgw h GLN 11 Cb 0.09 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.55 1zgw h GLN 11 CO -0.13 0.81 0.38 0.00 -2.65 0.00 0.00 178.83 177.24 1zgw h ARG 12 N 0.00 0.56 -0.84 1.69 2.47 0.19 1.45 114.38 119.89 1zgw h ARG 12 Ca -0.03 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 1zgw h ARG 12 Cb 1.67 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 29.82 1zgw h ARG 12 CO 0.11 0.37 0.44 2.35 0.56 0.00 0.00 179.97 183.80 1zgw h TRP 13 N 0.57 1.18 -0.06 3.04 -0.00 -0.27 0.33 115.95 120.74 1zgw h TRP 13 Ca 0.42 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 59.24 1zgw h TRP 13 Cb 0.57 -0.37 -0.01 0.00 -0.00 0.00 0.00 29.16 29.35 1zgw h TRP 13 CO -0.12 0.83 -0.10 0.37 -0.00 0.00 0.00 178.44 179.42 1zgw h GLN 14 N 1.18 0.08 0.00 2.65 5.75 0.19 0.23 115.11 125.20 1zgw h GLN 14 Ca 0.29 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.66 1zgw h GLN 14 Cb 0.06 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 1zgw h GLN 14 CO -0.04 0.19 -0.58 0.77 -2.65 0.00 0.00 178.83 176.52 1zgw h SER 15 N 0.08 0.00 0.27 -0.69 0.02 0.40 0.30 113.55 113.94 1zgw h SER 15 Ca 0.02 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.76 1zgw h SER 15 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1zgw h SER 15 CO 0.01 0.58 -0.87 0.58 -1.14 0.00 0.00 176.83 176.00 1zgw h VAL 16 N 0.00 1.38 0.05 2.27 2.07 0.26 -0.43 116.25 121.85 1zgw h VAL 16 Ca -0.01 -2.32 -0.29 0.00 0.82 0.00 0.00 66.70 64.91 1zgw h VAL 16 Cb 1.07 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 1zgw h VAL 16 CO 0.08 0.70 -1.55 -0.07 0.02 0.00 0.00 177.57 176.74 1zgw h LEU 17 N 0.27 0.16 -0.51 2.57 3.38 -0.88 -3.31 115.31 116.98 1zgw h LEU 17 Ca -0.06 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1zgw h LEU 17 Cb 1.48 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1zgw h LEU 17 CO 0.15 1.22 0.00 0.00 0.09 0.00 0.00 178.44 179.90 1zgw h ALA 18 N 0.76 1.00 -1.87 1.53 0.00 -0.41 -3.47 119.26 116.79 1zgw h ALA 18 Ca -0.24 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1zgw h ALA 18 Cb 1.97 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.79 1zgw h ALA 18 CO 0.11 0.00 -0.16 -2.13 0.00 0.00 0.00 179.25 177.08 1zgw n ARG 19 N -2.97 -1.62 -2.10 0.00 0.63 -0.35 -4.94 116.66 105.30 1zgw n ARG 19 Ca 0.03 0.21 -0.43 0.00 -0.92 0.00 0.00 57.85 56.74 1zgw n ARG 19 Cb 0.43 -3.47 -0.02 0.00 0.45 0.00 0.00 32.46 29.84 1zgw n ARG 19 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1zgw s ASP 20 N -3.01 6.04 0.00 6.15 2.15 -0.32 -4.72 116.67 122.96 1zgw s ASP 20 Ca 0.11 1.18 0.07 0.00 0.43 0.00 0.00 52.55 54.35 1zgw s ASP 20 Cb -0.05 -2.53 0.45 0.00 -0.30 0.00 0.00 42.92 40.49 1zgw s ASP 20 CO 0.14 -1.61 0.99 -0.81 -0.17 0.00 0.00 175.17 173.71 1zgw n PRO 21 N 8.31 0.64 -0.00 4.34 -0.04 -1.26 -2.05 135.00 144.93 1zgw n PRO 21 Ca 0.21 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.76 1zgw n PRO 21 Cb 0.47 -1.18 -0.11 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.83 -0.18 3.54 5.15 -1.26 -4.04 115.26 118.62 1zgw n ASN 22 Ca 0.06 -0.78 0.05 0.00 -0.60 0.00 0.00 54.58 53.31 1zgw n ASN 22 Cb 0.03 1.14 -0.02 0.00 -0.53 0.00 0.00 39.78 40.40 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 -1.54 3.02 -2.50 5.20 0.00 -0.87 -4.76 120.51 119.07 1zgw n ALA 23 Ca 0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1zgw n ALA 23 Cb 0.31 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.60 7.07 0.00 0.00 2.15 -1.11 -2.17 116.67 121.01 1zgw s ASP 24 Ca 0.08 1.73 0.00 0.00 0.43 0.00 0.00 52.55 54.79 1zgw s ASP 24 Cb 0.09 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1zgw s ASP 24 CO 0.32 -0.60 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 1zgw n GLY 25 N 3.36 2.94 0.11 2.66 0.00 -1.26 0.58 105.19 113.57 1zgw n GLY 25 Ca 0.11 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 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 0.23 -4.22 1.61 4.57 -1.69 -3.45 114.58 111.64 1zgw h GLU 26 Ca 0.00 -0.29 -0.18 0.00 -1.18 0.00 0.00 59.36 57.72 1zgw h GLU 26 Cb 0.00 0.09 -0.12 0.00 -0.16 0.00 0.00 28.75 28.56 1zgw h GLU 26 CO 0.00 1.03 -0.41 -0.59 -1.18 0.00 0.00 179.01 177.87 1zgw s PHE 27 N -2.91 0.86 0.40 0.92 -0.12 -0.95 -4.33 117.98 111.86 1zgw s PHE 27 Ca -0.15 -1.13 0.03 0.00 -0.05 0.00 0.00 56.93 55.63 1zgw s PHE 27 Cb 0.01 -0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.11 1zgw s PHE 27 CO 0.77 -0.80 0.09 0.14 -0.05 0.00 0.00 175.22 175.36 1zgw s VAL 28 N -4.04 0.90 -0.05 -2.49 -7.23 -0.31 -4.33 120.40 102.86 1zgw s VAL 28 Ca 0.32 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1zgw s VAL 28 Cb 0.04 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.54 1zgw s VAL 28 CO 0.12 0.00 0.04 0.72 -0.31 0.00 0.00 175.10 175.67 1zgw s PHE 29 N -3.17 0.23 -0.37 2.82 -0.12 -1.25 -1.61 117.98 114.51 1zgw s PHE 29 Ca 0.25 0.13 -0.15 0.00 -0.05 0.00 0.00 56.93 57.11 1zgw s PHE 29 Cb 0.04 -0.57 -0.00 0.00 -0.63 0.00 0.00 43.02 41.86 1zgw s PHE 29 CO 0.13 -0.23 0.34 0.00 -0.05 0.00 0.00 175.22 175.41 1zgw s ALA 30 N 2.11 3.48 -0.39 1.99 0.00 0.60 -3.90 121.76 125.65 1zgw s ALA 30 Ca 0.05 -1.40 -0.23 0.00 0.00 0.00 0.00 51.96 50.38 1zgw s ALA 30 Cb -0.12 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.17 1zgw s ALA 30 CO -0.04 -1.22 0.77 0.08 0.00 0.00 0.00 175.76 175.35 1zgw s VAL 31 N 1.91 4.72 0.11 0.00 1.01 0.40 -1.39 120.40 127.16 1zgw s VAL 31 Ca 0.09 0.68 0.34 0.00 0.00 0.00 0.00 61.98 63.09 1zgw s VAL 31 Cb -0.17 -4.23 0.39 0.00 0.00 0.00 0.00 36.38 32.36 1zgw s VAL 31 CO 0.11 -0.52 1.98 0.03 0.00 0.00 0.00 175.10 176.71 1zgw h ARG 32 N 8.66 0.00 -0.17 2.72 3.08 0.89 0.52 114.38 130.09 1zgw h ARG 32 Ca -0.25 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 1zgw h ARG 32 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1zgw h ARG 32 CO 0.92 0.01 -0.25 0.00 -1.07 0.00 0.00 179.97 179.58 1zgw h THR 33 N 0.00 1.25 -0.05 2.04 1.03 -1.91 -3.09 112.91 112.17 1zgw h THR 33 Ca -0.00 -1.15 0.00 0.00 -0.01 0.00 0.00 66.41 65.25 1zgw h THR 33 Cb 0.51 1.39 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 1zgw h THR 33 CO 0.00 0.35 0.00 1.07 -0.01 0.00 0.00 175.52 176.94 1zgw n THR 34 N -4.15 0.36 -2.99 0.00 5.66 -1.04 -4.98 114.28 107.14 1zgw n THR 34 Ca -0.01 -0.68 -0.22 0.00 -3.05 0.00 0.00 64.05 60.09 1zgw n THR 34 Cb 0.37 0.88 0.03 0.00 -1.55 0.00 0.00 70.33 70.06 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 0.12 -0.52 3.44 1.09 0.00 0.12 -4.88 105.19 104.56 1zgw n GLY 35 Ca 0.03 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.15 1.70 0.02 -0.61 1.01 -0.83 0.04 121.20 119.37 1zgw s ILE 36 Ca 0.28 -2.13 -0.09 0.00 0.00 0.00 0.00 60.65 58.71 1zgw s ILE 36 Cb -0.13 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.89 1zgw s ILE 36 CO 0.35 -0.29 0.17 0.72 0.00 0.00 0.00 174.94 175.88 1zgw s PHE 37 N -2.98 0.04 0.54 3.97 -0.12 -1.24 0.15 117.98 118.35 1zgw s PHE 37 Ca 0.30 -0.19 0.06 0.00 -0.05 0.00 0.00 56.93 57.05 1zgw s PHE 37 Cb 0.03 -0.04 0.05 0.00 -0.63 0.00 0.00 43.02 42.43 1zgw s PHE 37 CO 0.12 -0.35 0.48 1.03 -0.05 0.00 0.00 175.22 176.45 1zgw s ARG 39 N -1.91 2.28 0.39 1.99 0.52 -1.26 -3.79 118.95 117.16 1zgw s ARG 39 Ca -0.10 -1.93 0.28 0.00 -0.52 0.00 0.00 55.73 53.46 1zgw s ARG 39 Cb -0.04 -2.22 1.19 0.00 0.52 0.00 0.00 34.95 34.40 1zgw s ARG 39 CO -0.01 -0.65 1.84 -1.00 0.02 0.00 0.00 175.30 175.51 1zgw h PRO 40 N 0.65 0.00 -0.28 3.54 0.13 -1.82 -3.17 132.00 131.05 1zgw h PRO 40 Ca -0.36 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.62 1zgw h PRO 40 Cb 1.30 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.33 1zgw h PRO 40 CO 0.54 0.00 -0.25 -1.13 -0.23 0.00 0.00 178.00 176.93 1zgw n SER 41 N -2.59 2.45 -4.61 1.44 3.41 -1.26 -2.97 113.62 109.48 1zgw n SER 41 Ca 0.01 -3.83 -0.46 0.00 -0.26 0.00 0.00 58.87 54.33 1zgw n SER 41 Cb 0.25 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 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 1.25 2.47 -0.10 0.00 1.85 -1.26 -4.60 116.66 116.27 1zgw n ARG 43 Ca 0.11 -2.26 -0.20 0.00 -1.00 0.00 0.00 57.85 54.50 1zgw n ARG 43 Cb 0.30 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.11 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 1.44 0.75 0.00 2.89 0.00 -1.26 -5.09 120.51 119.24 1zgw n ALA 44 Ca 0.19 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1zgw n ALA 44 Cb 0.59 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -3.12 -4.10 0.00 0.63 -1.26 -5.19 116.66 99.18 1zgw n ARG 45 Ca -0.30 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.56 1zgw n ARG 45 Cb 0.64 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.45 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 -2.09 0.55 0.28 -0.14 3.76 -1.26 -4.96 115.29 111.44 1zgw s HIS 46 Ca 0.00 -1.06 0.11 0.00 -0.15 0.00 0.00 55.06 53.96 1zgw s HIS 46 Cb 0.00 -0.40 -0.05 0.00 1.11 0.00 0.00 32.58 33.24 1zgw s HIS 46 CO 0.00 -0.36 -0.15 0.00 -0.85 0.00 0.00 174.74 173.38 1zgw s ALA 47 N -3.90 2.85 0.95 -1.40 0.00 -1.26 -5.11 121.76 113.89 1zgw s ALA 47 Ca 0.08 -1.86 -0.12 0.00 0.00 0.00 0.00 51.96 50.05 1zgw s ALA 47 Cb 0.08 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.91 1zgw s ALA 47 CO -0.09 0.26 0.49 1.28 0.00 0.00 0.00 175.76 177.69 1zgw n LEU 48 N -0.69 0.17 0.16 0.00 4.77 -1.26 -4.86 117.00 115.28 1zgw n LEU 48 Ca -0.05 0.34 0.01 0.00 -0.03 0.00 0.00 56.01 56.28 1zgw n LEU 48 Cb 0.60 -1.24 0.28 0.00 -2.33 0.00 0.00 43.42 40.74 1zgw n LEU 48 CO 0.39 -3.48 0.65 -0.09 -1.33 0.00 0.00 177.39 173.53 1zgw h ARG 49 N -1.59 0.04 -0.74 3.23 2.43 -2.00 -3.24 114.38 112.51 1zgw h ARG 49 Ca -0.43 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 58.79 1zgw h ARG 49 Cb 1.28 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.74 1zgw h ARG 49 CO 0.35 0.48 -0.44 -1.91 -1.51 0.00 0.00 179.97 176.94 1zgw n GLU 50 N -4.00 -0.33 -0.37 0.20 0.00 -1.26 0.11 120.64 115.00 1zgw n GLU 50 Ca -0.02 1.35 0.04 0.00 0.00 0.00 0.00 57.16 58.53 1zgw n GLU 50 Cb 0.48 -1.99 0.19 0.00 0.00 0.00 0.00 31.44 30.12 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 -4.69 2.93 -4.33 4.31 3.02 -1.24 -4.81 115.26 110.45 1zgw n ASN 51 Ca 0.01 -2.32 -0.35 0.00 -0.03 0.00 0.00 54.58 51.89 1zgw n ASN 51 Cb 0.19 -0.49 -0.14 0.00 -0.61 0.00 0.00 39.78 38.73 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 -1.76 3.37 0.47 2.41 1.01 0.31 0.13 120.40 126.35 1zgw s VAL 52 Ca 0.26 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1zgw s VAL 52 Cb 0.18 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1zgw s VAL 52 CO 0.10 0.44 0.03 -0.94 0.00 0.00 0.00 175.10 174.73 1zgw s SER 53 N 1.28 4.08 0.13 3.32 1.04 -0.49 -4.83 113.70 118.23 1zgw s SER 53 Ca 0.03 -1.52 0.11 0.00 0.48 0.00 0.00 55.95 55.05 1zgw s SER 53 Cb -0.14 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 1zgw s SER 53 CO -0.02 -0.71 -0.26 -0.36 0.98 0.00 0.00 173.24 172.87 1zgw s PHE 54 N -2.80 2.33 0.11 5.02 0.08 -1.26 -0.29 117.98 121.17 1zgw s PHE 54 Ca 0.18 -0.37 0.05 0.00 0.12 0.00 0.00 56.93 56.92 1zgw s PHE 54 Cb 0.04 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1zgw s PHE 54 CO 0.10 0.35 -0.12 0.71 -0.10 0.00 0.00 175.22 176.15 1zgw s TYR 55 N -1.09 1.26 0.13 0.36 1.51 -0.64 -4.90 117.35 113.99 1zgw s TYR 55 Ca 0.15 -0.59 -0.11 0.00 -1.01 0.00 0.00 57.07 55.50 1zgw s TYR 55 Cb -0.10 -0.67 -0.08 0.00 -0.11 0.00 0.00 41.96 41.00 1zgw s TYR 55 CO 0.07 0.09 1.41 0.00 -1.11 0.00 0.00 175.55 176.01 1zgw h ALA 56 N 3.54 0.47 -2.34 3.71 0.00 -1.90 -0.80 119.26 121.93 1zgw h ALA 56 Ca -0.39 -0.51 -0.22 0.00 0.00 0.00 0.00 54.91 53.79 1zgw h ALA 56 Cb 1.19 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 1zgw h ALA 56 CO 0.51 0.68 -0.66 0.54 0.00 0.00 0.00 179.25 180.33 1zgw s ASN 57 N -6.95 0.69 0.59 0.00 2.20 -1.26 -3.68 114.94 106.53 1zgw s ASN 57 Ca -0.11 -1.16 0.35 0.00 -0.94 0.00 0.00 52.86 51.01 1zgw s ASN 57 Cb 0.10 0.21 1.85 0.00 -2.00 0.00 0.00 41.25 41.41 1zgw s ASN 57 CO 0.89 -0.64 2.19 0.00 -2.94 0.00 0.00 177.10 176.60 1zgw h ALA 58 N 2.84 1.16 -0.11 3.54 0.00 -1.91 -1.79 119.26 122.99 1zgw h ALA 58 Ca -0.36 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 1zgw h ALA 58 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1zgw h ALA 58 CO 0.61 0.05 -0.70 1.03 0.00 0.00 0.00 179.25 180.24 1zgw h SER 59 N 0.00 0.56 -0.09 0.00 0.87 -1.96 0.63 113.55 113.57 1zgw h SER 59 Ca -0.00 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1zgw h SER 59 Cb 0.20 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1zgw h SER 59 CO 0.00 1.10 0.04 -0.08 -0.53 0.00 0.00 176.83 177.36 1zgw h GLU 60 N 0.34 0.13 -0.52 2.24 4.57 -1.75 1.11 114.58 120.69 1zgw h GLU 60 Ca -0.03 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1zgw h GLU 60 Cb 1.28 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.80 1zgw h GLU 60 CO 0.13 0.20 0.29 0.00 -1.18 0.00 0.00 179.01 178.44 1zgw h ALA 61 N 0.92 0.67 0.00 2.92 0.00 -1.29 0.36 119.26 122.83 1zgw h ALA 61 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1zgw h ALA 61 Cb 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1zgw h ALA 61 CO -0.00 -0.02 -0.02 -0.07 0.00 0.00 0.00 179.25 179.14 1zgw h LEU 62 N 0.57 0.00 -0.18 0.00 3.38 0.12 0.13 115.31 119.33 1zgw h LEU 62 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1zgw h LEU 62 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1zgw h LEU 62 CO -0.12 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.43 1zgw h ALA 63 N 1.98 1.00 0.00 1.53 0.00 0.52 -3.06 119.26 121.24 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 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1zgw h ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1zgw n ALA 64 N -1.98 2.55 -1.72 0.00 0.00 0.44 -4.83 120.51 114.96 1zgw n ALA 64 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1zgw n ALA 64 Cb 0.46 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 0.76 0.87 3.70 0.00 0.00 -1.15 -5.07 105.19 104.29 1zgw n GLY 65 Ca 0.20 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.40 2.79 -0.27 1.61 0.08 -1.23 -4.99 117.98 113.57 1zgw s PHE 66 Ca 0.00 -0.23 -0.11 0.00 0.12 0.00 0.00 56.93 56.71 1zgw s PHE 66 Cb 0.00 -1.33 -0.05 0.00 -0.57 0.00 0.00 43.02 41.07 1zgw s PHE 66 CO 0.00 0.54 0.19 0.50 -0.10 0.00 0.00 175.22 176.35 1zgw s ARG 67 N -3.75 3.99 0.26 0.44 3.52 0.11 -4.64 118.95 118.88 1zgw s ARG 67 Ca 0.33 -0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 55.34 1zgw s ARG 67 Cb -0.06 -3.62 -0.10 0.00 -1.56 0.00 0.00 34.95 29.60 1zgw s ARG 67 CO 0.22 -0.11 1.50 -1.25 -0.81 0.00 0.00 175.30 174.85 1zgw s PRO 68 N 1.55 4.21 0.07 5.12 0.04 -1.26 -3.72 135.00 141.01 1zgw s PRO 68 Ca 0.07 2.40 -0.31 0.00 0.04 0.00 0.00 61.00 63.21 1zgw s PRO 68 Cb -0.15 -3.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.21 1zgw s PRO 68 CO 0.09 -0.51 1.92 0.00 0.04 0.00 0.00 177.00 178.55 1zgw n LYS 70 N 6.82 0.25 -0.04 0.00 3.00 -1.26 0.57 118.16 127.49 1zgw n LYS 70 Ca 0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.46 1zgw n LYS 70 Cb 0.39 -1.05 -0.05 0.00 0.00 0.00 0.00 35.03 34.32 1zgw n LYS 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1zgw n ARG 71 N -0.55 1.95 -0.01 1.64 0.00 -1.26 -4.46 116.66 113.97 1zgw n ARG 71 Ca 0.01 0.02 0.11 0.00 -0.00 0.00 0.00 57.85 57.98 1zgw n ARG 71 Cb 0.00 -1.18 -0.16 0.00 0.00 0.00 0.00 32.46 31.12 1zgw n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1zgw h GLN 73 N 0.00 0.32 0.03 0.00 5.75 -0.14 -3.36 115.11 117.71 1zgw h GLN 73 Ca 0.00 -0.54 -0.23 0.00 -0.15 0.00 0.00 58.65 57.73 1zgw h GLN 73 Cb 0.94 0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.69 1zgw h GLN 73 CO 0.00 1.26 -1.00 -1.00 -2.65 0.00 0.00 178.83 175.44 1zgw h PRO 74 N -0.29 0.29 -7.62 -2.39 0.13 -1.78 -3.46 132.00 116.88 1zgw h PRO 74 Ca -0.20 -0.35 -0.43 0.00 -0.87 0.00 0.00 66.00 64.15 1zgw h PRO 74 Cb 1.74 0.11 0.18 0.00 0.13 0.00 0.00 31.00 33.16 1zgw h PRO 74 CO 0.14 1.08 0.28 0.16 -0.23 0.00 0.00 178.00 179.43 1zgw s ASP 75 N -7.03 1.93 -0.12 1.44 -4.77 -1.25 -5.05 116.67 101.82 1zgw s ASP 75 Ca -0.04 0.41 0.00 0.00 -3.30 0.00 0.00 52.55 49.62 1zgw s ASP 75 Cb 0.09 -0.52 -0.02 0.00 -1.09 0.00 0.00 42.92 41.38 1zgw s ASP 75 CO 0.86 -3.48 -0.13 -0.54 0.70 0.00 0.00 175.17 172.58 1zgw s LYS 76 N -5.68 3.30 0.00 2.11 1.02 -1.26 -4.94 119.74 114.29 1zgw s LYS 76 Ca 0.73 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 56.05 1zgw s LYS 76 Cb -0.06 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 1zgw s LYS 76 CO 0.55 0.27 0.00 0.00 -0.92 0.00 0.00 175.35 175.24 1zgw n ALA 77 N 3.37 0.00 0.24 5.17 0.00 -1.26 -3.67 120.51 124.36 1zgw n ALA 77 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.33 1zgw n ALA 77 Cb 0.53 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.55 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 0.00 0.03 0.00 -0.26 1.53 1.27 115.58 118.16 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 0.09 0.00 1.55 -1.06 0.00 0.00 177.43 178.01 1zgw h PRO 79 N 0.00 0.00 0.07 0.81 0.13 -1.84 -2.54 132.00 128.64 1zgw h PRO 79 Ca -0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1zgw h PRO 79 Cb 0.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.25 1zgw h PRO 79 CO 0.01 0.00 -0.29 -0.09 -0.23 0.00 0.00 178.00 177.40 1zgw h ARG 80 N 0.00 -0.40 -1.04 0.86 9.65 0.16 -0.28 114.38 123.33 1zgw h ARG 80 Ca 0.00 0.03 0.27 0.00 -1.10 0.00 0.00 59.98 59.18 1zgw h ARG 80 Cb 0.02 0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 28.61 1zgw h ARG 80 CO 0.00 -0.26 0.69 1.96 2.80 0.00 0.00 179.97 185.16 1zgw h GLN 81 N -0.41 0.28 -0.31 0.20 4.20 -1.59 0.24 115.11 117.72 1zgw h GLN 81 Ca -0.00 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 1zgw h GLN 81 Cb 0.41 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1zgw h GLN 81 CO -0.15 0.18 -0.21 0.45 -0.67 0.00 0.00 178.83 178.43 1zgw h HIS 82 N 0.29 0.81 0.00 2.96 3.86 -1.28 -0.79 115.15 121.00 1zgw h HIS 82 Ca 0.56 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.53 1zgw h HIS 82 Cb 1.62 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.91 1zgw h HIS 82 CO -0.00 0.94 -0.10 -0.09 0.86 0.00 0.00 177.93 179.54 1zgw h ARG 83 N 0.45 0.00 0.03 2.45 1.12 0.64 -1.47 114.38 117.60 1zgw h ARG 83 Ca 0.06 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.71 1zgw h ARG 83 Cb 0.76 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.71 1zgw h ARG 83 CO 0.06 0.10 -0.99 1.25 -3.11 0.00 0.00 179.97 177.28 1zgw h LEU 84 N 0.00 0.28 -1.14 3.80 5.85 -0.67 -2.81 115.31 120.63 1zgw h LEU 84 Ca -0.00 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1zgw h LEU 84 Cb 0.47 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1zgw h LEU 84 CO 0.01 1.11 0.35 0.44 -0.34 0.00 0.00 178.44 180.02 1zgw h ASP 85 N 0.09 0.85 -0.06 1.25 5.19 -0.11 -2.21 116.42 121.43 1zgw h ASP 85 Ca -0.06 -0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.28 1zgw h ASP 85 Cb 1.66 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.94 1zgw h ASP 85 CO 0.15 0.70 -0.03 0.50 -3.12 0.00 0.00 179.24 177.45 1zgw h LYS 86 N 0.96 -0.02 -0.50 3.56 1.63 -1.19 -2.42 116.57 118.58 1zgw h LYS 86 Ca 0.24 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.02 1zgw h LYS 86 Cb 0.05 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 1zgw h LYS 86 CO -0.04 -0.01 0.22 0.82 -3.45 0.00 0.00 179.45 176.99 1zgw h ILE 87 N -0.02 1.18 -0.97 2.00 1.08 -1.21 -0.61 117.51 118.96 1zgw h ILE 87 Ca 0.03 -0.52 0.11 0.00 -0.39 0.00 0.00 64.86 64.09 1zgw h ILE 87 Cb 0.07 0.55 -0.08 0.00 -3.07 0.00 0.00 36.82 34.29 1zgw h ILE 87 CO -0.07 0.21 0.60 0.74 -0.69 0.00 0.00 178.15 178.94 1zgw h THR 88 N 0.71 0.94 -1.01 -0.27 2.02 -0.95 1.01 112.91 115.36 1zgw h THR 88 Ca 0.17 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 67.08 1zgw h THR 88 Cb 0.10 -0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 66.32 1zgw h THR 88 CO -0.02 0.18 0.65 -0.74 0.37 0.00 0.00 175.52 175.96 1zgw h HIS 89 N 0.98 1.21 -0.57 3.16 6.17 -0.72 0.67 115.15 126.04 1zgw h HIS 89 Ca 0.47 0.03 0.14 0.00 0.71 0.00 0.00 60.37 61.72 1zgw h HIS 89 Cb 0.42 -0.40 -0.03 0.00 2.52 0.00 0.00 27.41 29.92 1zgw h HIS 89 CO -0.02 0.64 0.40 0.00 0.71 0.00 0.00 177.93 179.67 1zgw h ALA 90 N 1.45 2.35 0.76 5.26 0.00 0.15 -0.91 119.26 128.31 1zgw h ALA 90 Ca 0.43 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 1zgw h ALA 90 Cb 0.14 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1zgw h ALA 90 CO -0.17 -0.50 -0.36 0.00 0.00 0.00 0.00 179.25 178.22 1zgw h ARG 92 N -1.11 -0.26 -0.79 0.00 2.43 -0.83 -0.64 114.38 113.19 1zgw h ARG 92 Ca -0.10 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1zgw h ARG 92 Cb 0.79 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 1zgw h ARG 92 CO 0.17 -0.17 0.52 -0.07 -1.51 0.00 0.00 179.97 178.91 1zgw h LEU 93 N -0.27 0.68 -0.17 3.80 4.07 -1.28 1.26 115.31 123.40 1zgw h LEU 93 Ca 0.16 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1zgw h LEU 93 Cb 0.53 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1zgw h LEU 93 CO -0.49 0.41 0.00 0.18 -1.08 0.00 0.00 178.44 177.46 1zgw n LEU 94 N -4.50 0.15 0.00 1.67 4.77 -0.27 -2.52 117.00 116.30 1zgw n LEU 94 Ca 0.13 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 1zgw n LEU 94 Cb 0.31 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1zgw n LEU 94 CO 0.32 -0.34 0.05 1.21 -1.33 0.00 0.00 177.39 177.31 1zgw n GLU 95 N -1.67 1.93 -0.04 3.23 0.00 -0.48 -4.87 120.64 118.74 1zgw n GLU 95 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 57.16 57.06 1zgw n GLU 95 Cb 0.17 -0.46 -0.01 0.00 0.00 0.00 0.00 31.44 31.14 1zgw n GLU 95 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1zgw n GLN 96 N -0.31 0.22 0.00 5.31 -0.06 0.42 -5.00 117.38 117.97 1zgw n GLN 96 Ca 0.00 0.38 0.00 0.00 -2.00 0.00 0.00 57.00 55.38 1zgw n GLN 96 Cb 0.05 -1.22 0.00 0.00 -4.06 0.00 0.00 30.24 25.01 1zgw n GLN 96 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1zgw n GLU 97 N -3.43 2.38 0.00 3.69 0.28 -1.05 -5.04 120.64 117.47 1zgw n GLU 97 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1zgw n GLU 97 Cb 0.13 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.00 1zgw n GLU 97 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1zgw n THR 98 N 0.00 0.00 -1.97 3.84 -1.04 -1.26 -4.88 114.28 108.97 1zgw n THR 98 Ca 0.00 0.19 -0.42 0.00 -2.04 0.00 0.00 64.05 61.78 1zgw n THR 98 Cb 0.00 -1.13 -0.03 0.00 -1.82 0.00 0.00 70.33 67.36 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 -0.56 4.12 0.85 -2.82 0.04 -1.26 -4.96 135.00 130.42 1zgw s PRO 99 Ca 0.00 2.18 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 1zgw s PRO 99 Cb 0.00 -4.02 0.11 0.00 0.04 0.00 0.00 34.50 30.63 1zgw s PRO 99 CO 0.00 -0.93 1.17 0.08 0.04 0.00 0.00 177.00 177.37 1zgw s VAL 100 N 4.28 2.00 -0.52 -0.36 1.01 -1.26 -4.97 120.40 120.58 1zgw s VAL 100 Ca 0.75 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.66 1zgw s VAL 100 Cb -0.33 -2.91 0.13 0.00 0.00 0.00 0.00 36.38 33.27 1zgw s VAL 100 CO 0.31 0.00 0.37 0.42 0.00 0.00 0.00 175.10 176.20 1zgw s THR 101 N -3.49 4.07 0.00 3.92 -4.23 -1.26 -4.53 115.64 110.11 1zgw s THR 101 Ca 0.63 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1zgw s THR 101 Cb -0.12 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1zgw s THR 101 CO 0.51 -0.80 0.00 0.18 -0.54 0.00 0.00 174.62 173.96 1zgw n LEU 102 N 4.50 0.93 -0.34 4.79 4.77 -1.26 -4.78 117.00 125.61 1zgw n LEU 102 Ca -0.02 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.14 1zgw n LEU 102 Cb 0.41 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.84 1zgw n LEU 102 CO 0.39 0.16 0.84 -0.08 -1.33 0.00 0.00 177.39 177.37 1zgw h GLU 103 N 0.00 0.01 -0.42 3.23 4.57 -1.98 0.93 114.58 120.91 1zgw h GLU 103 Ca 0.00 -0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 1zgw h GLU 103 Cb 0.42 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1zgw h GLU 103 CO 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 179.01 177.52 1zgw h ALA 104 N 1.99 0.63 -0.08 2.92 0.00 -1.95 -1.36 119.26 121.41 1zgw h ALA 104 Ca 0.64 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1zgw h ALA 104 Cb 1.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1zgw h ALA 104 CO -0.90 0.68 -0.24 1.25 0.00 0.00 0.00 179.25 180.03 1zgw h LEU 105 N 0.80 0.36 -0.51 0.00 5.85 -0.08 -2.19 115.31 119.53 1zgw h LEU 105 Ca 0.08 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1zgw h LEU 105 Cb 0.90 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1zgw h LEU 105 CO 0.08 0.90 0.31 0.00 -0.34 0.00 0.00 178.44 179.40 1zgw h ALA 106 N 0.47 0.65 -0.68 1.25 0.00 0.50 -1.63 119.26 119.82 1zgw h ALA 106 Ca -0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1zgw h ALA 106 Cb 0.86 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1zgw h ALA 106 CO 0.05 0.13 0.16 -0.44 0.00 0.00 0.00 179.25 179.15 1zgw h ASP 107 N 0.69 1.04 -0.47 0.00 5.19 -1.29 0.57 116.42 122.14 1zgw h ASP 107 Ca 0.18 -0.24 -0.06 0.00 -0.62 0.00 0.00 57.03 56.30 1zgw h ASP 107 Cb -0.02 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.19 1zgw h ASP 107 CO -0.04 1.01 0.07 -0.61 -3.12 0.00 0.00 179.24 176.55 1zgw h GLN 108 N 1.02 0.79 0.00 3.56 -0.00 -1.07 -3.05 115.11 116.36 1zgw h GLN 108 Ca 0.21 -0.22 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1zgw h GLN 108 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.77 1zgw h GLN 108 CO 0.00 0.81 -0.59 0.28 0.00 0.00 0.00 178.83 179.33 1zgw h VAL 109 N 0.66 0.00 -0.05 2.39 2.07 -1.21 -3.48 116.25 116.63 1zgw h VAL 109 Ca 0.14 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1zgw h VAL 109 Cb 0.41 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1zgw h VAL 109 CO 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.59 1zgw n ALA 110 N -1.95 -0.01 -2.45 1.67 0.00 0.18 -5.06 120.51 112.90 1zgw n ALA 110 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 1zgw n ALA 110 Cb 0.48 -0.53 -0.11 0.00 0.00 0.00 0.00 19.45 19.30 1zgw n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zgw s MET 111 N -4.02 0.95 0.96 0.00 0.23 -0.31 -5.01 119.30 112.10 1zgw s MET 111 Ca 0.00 -1.24 -0.13 0.00 -1.03 0.00 0.00 55.69 53.29 1zgw s MET 111 Cb -0.00 -0.68 0.17 0.00 -1.53 0.00 0.00 34.83 32.79 1zgw s MET 111 CO 0.00 0.11 1.13 -1.54 -2.03 0.00 0.00 175.02 172.69 1zgw s SER 112 N -2.58 3.00 0.50 -1.18 1.04 -1.26 -4.29 113.70 108.93 1zgw s SER 112 Ca 0.09 0.98 0.18 0.00 0.48 0.00 0.00 55.95 57.68 1zgw s SER 112 Cb -0.03 -1.55 1.25 0.00 0.10 0.00 0.00 66.02 65.80 1zgw s SER 112 CO 0.01 -2.87 2.09 1.55 0.98 0.00 0.00 173.24 175.00 1zgw h PRO 113 N -1.72 0.00 -0.35 4.02 0.13 -1.96 -0.85 132.00 131.27 1zgw h PRO 113 Ca -0.51 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.48 1zgw h PRO 113 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1zgw h PRO 113 CO 0.58 0.09 -0.33 0.74 -0.23 0.00 0.00 178.00 178.85 1zgw h PHE 114 N 0.00 0.92 0.00 1.56 0.04 -2.00 -2.25 116.94 115.21 1zgw h PHE 114 Ca -0.00 -0.25 -0.10 0.00 2.80 0.00 0.00 57.97 60.41 1zgw h PHE 114 Cb 0.17 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1zgw h PHE 114 CO 0.00 1.01 -0.49 1.25 -0.60 0.00 0.00 178.31 179.48 1zgw h HIS 115 N 0.66 0.00 -0.61 -0.55 2.76 -1.52 -1.46 115.15 114.42 1zgw h HIS 115 Ca 0.07 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1zgw h HIS 115 Cb 0.88 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 1zgw h HIS 115 CO 0.05 0.49 0.32 1.25 -1.30 0.00 0.00 177.93 178.74 1zgw h LEU 116 N 0.00 0.77 -1.01 0.26 5.85 -1.02 0.12 115.31 120.28 1zgw h LEU 116 Ca -0.00 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.65 1zgw h LEU 116 Cb 0.93 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 1zgw h LEU 116 CO 0.06 0.65 0.66 0.45 -0.34 0.00 0.00 178.44 179.92 1zgw h HIS 117 N 0.83 1.23 -0.71 1.25 3.86 -0.97 0.13 115.15 120.77 1zgw h HIS 117 Ca 0.21 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.48 1zgw h HIS 117 Cb 0.06 -0.41 -0.04 0.00 1.06 0.00 0.00 27.41 28.08 1zgw h HIS 117 CO -0.01 0.70 0.47 -0.09 0.86 0.00 0.00 177.93 179.86 1zgw h ARG 118 N 1.26 0.87 -0.28 2.45 9.65 0.03 -1.51 114.38 126.86 1zgw h ARG 118 Ca 0.41 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 59.17 1zgw h ARG 118 Cb 0.03 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.40 1zgw h ARG 118 CO -0.13 0.58 -0.07 1.25 2.80 0.00 0.00 179.97 184.39 1zgw h LEU 119 N 0.90 0.55 -1.00 3.80 6.46 0.15 -1.44 115.31 124.72 1zgw h LEU 119 Ca 0.27 -0.37 0.22 0.00 -0.12 0.00 0.00 57.88 57.89 1zgw h LEU 119 Cb -0.00 -0.15 -0.12 0.00 -0.73 0.00 0.00 40.66 39.66 1zgw h LEU 119 CO -0.07 0.79 0.60 0.15 -0.62 0.00 0.00 178.44 179.29 1zgw h PHE 120 N 0.30 1.03 -0.18 1.25 3.04 0.13 0.31 116.94 122.81 1zgw h PHE 120 Ca 0.07 0.04 -0.19 0.00 3.98 0.00 0.00 57.97 61.86 1zgw h PHE 120 Cb 0.55 -0.30 0.01 0.00 2.56 0.00 0.00 35.95 38.77 1zgw h PHE 120 CO 0.05 0.13 -0.63 -0.22 -2.02 0.00 0.00 178.31 175.62 1zgw h LYS 121 N 0.65 0.75 0.25 1.11 3.64 -1.08 0.24 116.57 122.12 1zgw h LYS 121 Ca 0.62 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1zgw h LYS 121 Cb 1.10 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1zgw h LYS 121 CO -0.44 1.18 -0.22 0.00 -2.27 0.00 0.00 179.45 177.70 1zgw h ALA 122 N 0.57 -0.48 0.53 5.00 0.00 0.54 1.61 119.26 127.04 1zgw h ALA 122 Ca -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1zgw h ALA 122 Cb 1.26 0.32 0.01 0.00 0.00 0.00 0.00 17.79 19.37 1zgw h ALA 122 CO 0.13 -0.79 -0.26 1.15 0.00 0.00 0.00 179.25 179.49 1zgw h THR 123 N -0.50 0.00 -0.83 0.00 2.02 -0.75 -3.06 112.91 109.79 1zgw h THR 123 Ca -0.01 -0.43 0.21 0.00 0.77 0.00 0.00 66.41 66.95 1zgw h THR 123 Cb 0.45 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.81 1zgw h THR 123 CO -0.04 0.00 0.57 0.00 0.37 0.00 0.00 175.52 176.42 1zgw h THR 124 N -1.14 0.66 0.00 3.16 1.03 -0.99 -3.46 112.91 112.17 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 0.55 0.41 0.00 0.00 -1.07 0.00 0.00 68.15 68.03 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 2.90 2.70 2.99 0.00 0.55 -4.93 105.19 107.80 1zgw n GLY 125 Ca 0.17 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 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 1.21 -2.74 1.61 0.00 -1.02 -4.70 117.12 111.48 1zgw n MET 126 Ca 0.00 -1.86 -0.02 0.00 0.00 0.00 0.00 57.70 55.82 1zgw n MET 126 Cb 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 33.22 33.17 1zgw n MET 126 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1zgw s THR 127 N 0.00 -0.46 0.00 2.03 2.01 -1.26 -5.03 115.64 112.93 1zgw s THR 127 Ca 0.21 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1zgw s THR 127 Cb 0.41 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.92 1zgw s THR 127 CO -0.09 0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.03 1zgw n PRO 128 N 2.95 0.00 0.32 4.92 -0.04 -1.26 -2.92 135.00 138.98 1zgw n PRO 128 Ca 0.12 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.78 1zgw n PRO 128 Cb 0.62 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 -0.20 0.54 1.63 -1.87 -0.14 116.57 116.53 1zgw h LYS 129 Ca 0.00 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 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 -0.38 0.00 -3.45 0.00 0.00 179.45 175.62 1zgw h ALA 130 N 2.00 0.96 -0.62 5.00 0.00 -1.92 -1.38 119.26 123.30 1zgw h ALA 130 Ca -0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1zgw h ALA 130 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1zgw h ALA 130 CO 0.00 0.62 0.18 2.35 0.00 0.00 0.00 179.25 182.40 1zgw h TRP 131 N 0.38 1.01 -0.44 0.00 -0.00 -0.89 0.71 115.95 116.72 1zgw h TRP 131 Ca 0.04 -0.11 0.05 0.00 -0.00 0.00 0.00 58.89 58.87 1zgw h TRP 131 Cb 0.85 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 29.69 1zgw h TRP 131 CO 0.03 0.83 0.30 0.37 -0.00 0.00 0.00 178.44 179.97 1zgw h GLN 132 N 0.89 0.39 0.37 2.65 -0.00 -1.28 0.15 115.11 118.28 1zgw h GLN 132 Ca 0.20 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.81 1zgw h GLN 132 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.70 1zgw h GLN 132 CO -0.00 0.26 -0.18 0.37 0.00 0.00 0.00 178.83 179.27 1zgw h GLN 133 N 0.40 -0.48 -0.87 1.69 4.15 0.06 -1.91 115.11 118.15 1zgw h GLN 133 Ca 0.19 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.78 1zgw h GLN 133 Cb 0.25 0.11 -0.09 0.00 0.21 0.00 0.00 27.48 27.96 1zgw h GLN 133 CO -0.05 -0.16 0.47 0.00 -1.93 0.00 0.00 178.83 177.16 1zgw h ALA 134 N -0.59 1.31 -0.25 3.38 0.00 -0.44 0.84 119.26 123.51 1zgw h ALA 134 Ca -0.05 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1zgw h ALA 134 Cb 0.54 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1zgw h ALA 134 CO 0.08 -0.03 -0.23 -1.49 0.00 0.00 0.00 179.25 177.58 1zgw h TRP 135 N 0.69 -0.61 0.00 0.00 -0.00 -0.68 0.51 115.95 115.86 1zgw h TRP 135 Ca 0.46 0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 59.39 1zgw h TRP 135 Cb 0.61 0.31 -0.00 0.00 -0.00 0.00 0.00 29.16 30.08 1zgw h TRP 135 CO -0.07 -0.31 -0.00 -0.09 -0.00 0.00 0.00 178.44 177.97 1zgw h ARG 136 N -0.23 0.00 0.25 0.49 2.43 -0.08 0.98 114.38 118.22 1zgw h ARG 136 Ca 0.14 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.98 1zgw h ARG 136 Cb 0.45 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.03 1zgw h ARG 136 CO -0.39 0.00 -1.47 0.00 -1.51 0.00 0.00 179.97 176.61 1zgw h ALA 137 N 2.00 -0.14 0.00 2.80 0.00 0.16 -3.38 119.26 120.70 1zgw h ALA 137 Ca -0.00 -0.87 -0.38 0.00 0.00 0.00 0.00 54.91 53.66 1zgw h ALA 137 Cb 0.14 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1zgw h ALA 137 CO 0.00 0.69 -2.42 -2.13 0.00 0.00 0.00 179.25 175.39 1zgw n ARG 138 N -3.74 0.68 0.00 0.00 0.63 -0.24 -5.10 116.66 108.90 1zgw n ARG 138 Ca -0.17 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 1zgw n ARG 138 Cb 1.09 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 32.49 1zgw n ARG 138 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99