#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zgw n LYS 2 N 0.00 0.00 -1.32 2.12 4.81 -1.26 -5.02 118.16 117.50 1zgw n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1zgw n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1zgw n LYS 2 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1zgw n LYS 3 N 13.48 -3.49 -3.30 1.64 5.02 -1.26 -4.96 118.16 125.29 1zgw n LYS 3 Ca 0.00 2.70 -0.19 0.00 -2.02 0.00 0.00 58.31 58.79 1zgw n LYS 3 Cb 0.00 -3.34 0.00 0.00 -0.02 0.00 0.00 35.03 31.67 1zgw n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1zgw s ALA 4 N -4.99 4.19 -0.99 7.82 0.00 -1.26 -4.96 121.76 121.56 1zgw s ALA 4 Ca 0.00 -1.42 -0.25 0.00 0.00 0.00 0.00 51.96 50.30 1zgw s ALA 4 Cb 0.00 -1.76 -0.17 0.00 0.00 0.00 0.00 23.12 21.19 1zgw s ALA 4 CO 0.00 -0.15 1.95 0.25 0.00 0.00 0.00 175.76 177.82 1zgw n THR 5 N -1.76 1.17 -0.37 0.00 -2.24 -1.26 -4.57 114.28 105.26 1zgw n THR 5 Ca 0.01 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.61 1zgw n THR 5 Cb 0.58 -2.13 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 1zgw n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zgw n LEU 7 N 0.00 -1.25 -3.79 0.00 -0.00 -1.26 -4.84 117.00 105.86 1zgw n LEU 7 Ca 0.00 0.26 -0.42 0.00 -0.00 0.00 0.00 56.01 55.85 1zgw n LEU 7 Cb 0.00 -2.32 0.02 0.00 -0.00 0.00 0.00 43.42 41.12 1zgw n LEU 7 CO 0.00 -0.51 1.34 0.41 -0.00 0.00 0.00 177.39 178.63 1zgw n THR 8 N -2.74 5.77 -0.54 1.96 -1.04 -1.26 -4.78 114.28 111.64 1zgw n THR 8 Ca -0.17 -5.92 0.45 0.00 -2.04 0.00 0.00 64.05 56.37 1zgw n THR 8 Cb 0.56 -1.79 0.78 0.00 -1.82 0.00 0.00 70.33 68.07 1zgw n THR 8 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1zgw h ASP 9 N 4.74 0.02 -0.40 8.00 2.03 -1.98 1.62 116.42 130.46 1zgw h ASP 9 Ca 0.40 0.01 0.03 0.00 -0.73 0.00 0.00 57.03 56.74 1zgw h ASP 9 Cb 0.45 0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 38.92 1zgw h ASP 9 CO 1.26 -0.01 0.21 0.44 -1.03 0.00 0.00 179.24 180.11 1zgw h ASP 10 N 0.01 0.31 0.73 4.15 5.19 -1.99 0.40 116.42 125.22 1zgw h ASP 10 Ca 0.78 0.02 -0.25 0.00 -0.62 0.00 0.00 57.03 56.96 1zgw h ASP 10 Cb 3.08 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 42.54 1zgw h ASP 10 CO -0.04 0.23 -1.14 -0.61 -3.12 0.00 0.00 179.24 174.56 1zgw h GLN 11 N 0.42 0.19 -1.01 3.56 4.15 0.18 -1.84 115.11 120.77 1zgw h GLN 11 Ca 0.17 -0.31 0.17 0.00 0.77 0.00 0.00 58.65 59.45 1zgw h GLN 11 Cb 0.06 0.11 -0.10 0.00 0.21 0.00 0.00 27.48 27.76 1zgw h GLN 11 CO -0.11 1.13 0.62 0.00 -1.93 0.00 0.00 178.83 178.55 1zgw h ARG 12 N 0.06 0.81 -0.78 1.69 3.08 -0.08 2.25 114.38 121.41 1zgw h ARG 12 Ca -0.09 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1zgw h ARG 12 Cb 1.87 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.70 1zgw h ARG 12 CO 0.18 0.53 0.33 2.35 -1.07 0.00 0.00 179.97 182.29 1zgw h TRP 13 N 0.83 1.17 -0.39 3.04 -0.00 0.03 0.29 115.95 120.92 1zgw h TRP 13 Ca 0.56 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.89 59.36 1zgw h TRP 13 Cb 0.78 -0.35 -0.02 0.00 -0.00 0.00 0.00 29.16 29.57 1zgw h TRP 13 CO -0.00 0.88 0.21 0.37 -0.00 0.00 0.00 178.44 179.89 1zgw h GLN 14 N 1.12 0.53 0.00 2.65 -0.00 0.41 0.37 115.11 120.18 1zgw h GLN 14 Ca 0.26 -0.05 -0.10 0.00 -0.00 0.00 0.00 58.65 58.76 1zgw h GLN 14 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.54 1zgw h GLN 14 CO -0.02 0.40 -0.48 1.03 0.00 0.00 0.00 178.83 179.76 1zgw h SER 15 N 0.54 0.00 0.34 -0.69 0.87 0.31 0.82 113.55 115.75 1zgw h SER 15 Ca 0.14 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.49 1zgw h SER 15 Cb 0.03 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1zgw h SER 15 CO -0.02 0.48 -0.88 0.58 -0.53 0.00 0.00 176.83 176.45 1zgw h VAL 16 N 0.00 1.41 0.01 2.23 2.07 0.31 -0.45 116.25 121.82 1zgw h VAL 16 Ca -0.00 -2.39 -0.30 0.00 0.82 0.00 0.00 66.70 64.83 1zgw h VAL 16 Cb 0.88 2.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.95 1zgw h VAL 16 CO 0.06 0.71 -1.73 0.18 0.02 0.00 0.00 177.57 176.82 1zgw n LEU 17 N -3.76 0.99 0.18 2.57 4.77 0.57 -3.96 117.00 118.36 1zgw n LEU 17 Ca -0.06 0.40 0.06 0.00 -0.03 0.00 0.00 56.01 56.39 1zgw n LEU 17 Cb 0.80 0.08 0.20 0.00 -2.33 0.00 0.00 43.42 42.18 1zgw n LEU 17 CO 0.50 0.42 0.63 0.00 -1.33 0.00 0.00 177.39 177.60 1zgw h ALA 18 N 0.94 0.84 -0.53 -1.18 0.00 0.64 -3.47 119.26 116.50 1zgw h ALA 18 Ca -0.29 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1zgw h ALA 18 Cb 2.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1zgw h ALA 18 CO 0.08 0.45 0.00 2.89 0.00 0.00 0.00 179.25 182.67 1zgw n ARG 19 N -3.29 0.00 -2.07 0.00 -4.01 -0.55 -4.98 116.66 101.77 1zgw n ARG 19 Ca 0.01 0.00 -0.43 0.00 -1.04 0.00 0.00 57.85 56.39 1zgw n ARG 19 Cb 0.60 -2.44 -0.03 0.00 -3.04 0.00 0.00 32.46 27.56 1zgw n ARG 19 CO 0.00 0.00 0.00 0.34 -3.04 0.00 0.00 177.63 174.93 1zgw s ASP 20 N -2.85 5.99 0.00 2.89 2.15 -0.29 -4.73 116.67 119.83 1zgw s ASP 20 Ca 0.00 1.23 0.08 0.00 0.43 0.00 0.00 52.55 54.29 1zgw s ASP 20 Cb 0.00 -2.53 0.49 0.00 -0.30 0.00 0.00 42.92 40.59 1zgw s ASP 20 CO 0.00 -1.64 1.08 -0.81 -0.17 0.00 0.00 175.17 173.63 1zgw n PRO 21 N 8.35 0.71 -0.00 4.34 -0.04 -1.26 -2.32 135.00 144.77 1zgw n PRO 21 Ca 0.22 0.00 0.09 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 0.84 -0.19 3.54 5.15 -1.26 -4.05 115.26 118.60 1zgw n ASN 22 Ca 0.06 -0.81 0.05 0.00 -0.60 0.00 0.00 54.58 53.29 1zgw n ASN 22 Cb 0.03 1.14 -0.01 0.00 -0.53 0.00 0.00 39.78 40.41 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 -1.57 3.00 -2.57 5.20 0.00 -0.98 -4.75 120.51 118.83 1zgw n ALA 23 Ca 0.03 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1zgw n ALA 23 Cb 0.33 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.57 7.15 0.00 0.00 2.15 -1.17 -1.93 116.67 121.30 1zgw s ASP 24 Ca 0.08 1.69 0.00 0.00 0.43 0.00 0.00 52.55 54.75 1zgw s ASP 24 Cb 0.09 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1zgw s ASP 24 CO 0.31 -0.50 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 1zgw n GLY 25 N 3.21 2.97 0.14 2.66 0.00 -1.26 0.56 105.19 113.47 1zgw n GLY 25 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 0.48 0.34 -3.75 1.61 4.22 -1.64 -3.44 114.58 112.39 1zgw h GLU 26 Ca 0.00 -0.58 -0.08 0.00 0.08 0.00 0.00 59.36 58.78 1zgw h GLU 26 Cb 0.00 0.22 -0.10 0.00 0.50 0.00 0.00 28.75 29.37 1zgw h GLU 26 CO 0.00 1.28 -0.16 -0.59 -2.18 0.00 0.00 179.01 177.35 1zgw s PHE 27 N -2.53 0.46 0.38 0.92 -0.12 -0.81 -4.32 117.98 111.96 1zgw s PHE 27 Ca -0.17 -0.80 0.04 0.00 -0.05 0.00 0.00 56.93 55.94 1zgw s PHE 27 Cb 0.05 0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.52 1zgw s PHE 27 CO 0.82 -0.97 0.11 0.14 -0.05 0.00 0.00 175.22 175.27 1zgw s VAL 28 N -3.99 0.73 -0.05 -2.49 -7.23 -0.19 -4.31 120.40 102.87 1zgw s VAL 28 Ca 0.24 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1zgw s VAL 28 Cb 0.00 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.51 1zgw s VAL 28 CO 0.10 0.00 0.03 0.72 -0.31 0.00 0.00 175.10 175.63 1zgw s PHE 29 N -3.25 0.33 -0.36 2.82 -0.12 -1.25 -1.57 117.98 114.58 1zgw s PHE 29 Ca 0.27 0.05 -0.13 0.00 -0.05 0.00 0.00 56.93 57.07 1zgw s PHE 29 Cb 0.04 -0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 41.84 1zgw s PHE 29 CO 0.14 -0.23 0.25 0.00 -0.05 0.00 0.00 175.22 175.34 1zgw s ALA 30 N 1.86 3.50 -0.58 1.99 0.00 0.13 -3.87 121.76 124.80 1zgw s ALA 30 Ca 0.02 -1.47 -0.23 0.00 0.00 0.00 0.00 51.96 50.28 1zgw s ALA 30 Cb -0.12 -2.72 0.05 0.00 0.00 0.00 0.00 23.12 20.33 1zgw s ALA 30 CO -0.04 -1.09 0.91 0.08 0.00 0.00 0.00 175.76 175.63 1zgw s VAL 31 N 1.71 4.42 0.39 0.00 1.01 0.41 -0.89 120.40 127.45 1zgw s VAL 31 Ca 0.06 0.03 0.39 0.00 0.00 0.00 0.00 61.98 62.45 1zgw s VAL 31 Cb -0.18 -4.55 0.41 0.00 0.00 0.00 0.00 36.38 32.06 1zgw s VAL 31 CO 0.10 -1.18 2.18 0.03 0.00 0.00 0.00 175.10 176.24 1zgw h ARG 32 N 9.35 0.00 -0.00 2.72 3.08 0.14 0.50 114.38 130.16 1zgw h ARG 32 Ca -0.27 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 1zgw h ARG 32 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1zgw h ARG 32 CO 1.10 0.01 -0.17 0.00 -1.07 0.00 0.00 179.97 179.84 1zgw h THR 33 N 0.00 1.12 0.00 2.04 1.03 -1.90 -3.07 112.91 112.14 1zgw h THR 33 Ca -0.00 -0.58 0.00 0.00 -0.01 0.00 0.00 66.41 65.82 1zgw h THR 33 Cb 0.26 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 68.65 1zgw h THR 33 CO 0.00 0.17 0.00 1.07 -0.01 0.00 0.00 175.52 176.75 1zgw n THR 34 N -4.34 0.00 -2.05 0.00 5.66 -0.77 -5.00 114.28 107.78 1zgw n THR 34 Ca -0.02 -0.47 -0.09 0.00 -3.05 0.00 0.00 64.05 60.41 1zgw n THR 34 Cb 0.23 1.02 -0.01 0.00 -1.55 0.00 0.00 70.33 70.02 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 0.67 0.14 3.63 1.09 0.00 0.17 -4.86 105.19 106.02 1zgw n GLY 35 Ca 0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.45 2.69 0.03 -0.61 1.01 -0.86 0.17 121.20 121.17 1zgw s ILE 36 Ca 0.00 -1.99 -0.10 0.00 0.00 0.00 0.00 60.65 58.57 1zgw s ILE 36 Cb 0.00 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.70 1zgw s ILE 36 CO 0.00 -0.22 0.20 0.72 0.00 0.00 0.00 174.94 175.64 1zgw s PHE 37 N -2.50 0.03 0.32 3.97 -0.12 -1.25 0.16 117.98 118.59 1zgw s PHE 37 Ca 0.34 -0.20 0.07 0.00 -0.05 0.00 0.00 56.93 57.09 1zgw s PHE 37 Cb -0.01 -0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.35 1zgw s PHE 37 CO 0.19 -0.41 0.41 1.03 -0.05 0.00 0.00 175.22 176.39 1zgw s ARG 39 N -2.29 3.05 0.11 1.99 0.52 -1.26 -3.75 118.95 117.33 1zgw s ARG 39 Ca -0.07 -1.06 0.13 0.00 -0.52 0.00 0.00 55.73 54.21 1zgw s ARG 39 Cb -0.02 -2.74 0.58 0.00 0.52 0.00 0.00 34.95 33.29 1zgw s ARG 39 CO -0.02 0.12 1.39 -0.35 0.02 0.00 0.00 175.30 176.46 1zgw n PRO 40 N -1.54 0.06 -0.81 3.54 -0.04 -1.26 -2.45 135.00 132.50 1zgw n PRO 40 Ca -0.02 0.45 -0.02 0.00 -0.04 0.00 0.00 63.50 63.87 1zgw n PRO 40 Cb 0.58 -1.66 0.19 0.00 -0.04 0.00 0.00 33.50 32.58 1zgw n PRO 40 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1zgw n SER 41 N -1.79 2.39 -4.68 3.54 3.41 -1.26 -3.09 113.62 112.13 1zgw n SER 41 Ca 0.01 -3.84 -0.43 0.00 -0.26 0.00 0.00 58.87 54.35 1zgw n SER 41 Cb 0.09 -0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 63.44 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 0.95 2.20 -0.09 0.00 0.00 -1.26 -4.64 116.66 113.82 1zgw n ARG 43 Ca 0.07 -1.93 -0.17 0.00 -0.00 0.00 0.00 57.85 55.82 1zgw n ARG 43 Cb 0.35 -1.44 -0.11 0.00 -0.00 0.00 0.00 32.46 31.25 1zgw n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1zgw h ALA 44 N 4.40 0.13 0.00 2.89 0.00 -2.02 -3.50 119.26 121.16 1zgw h ALA 44 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1zgw h ALA 44 Cb 0.94 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1zgw h ALA 44 CO 0.00 0.37 0.00 -2.13 0.00 0.00 0.00 179.25 177.49 1zgw n ARG 45 N -4.53 -0.82 -4.05 0.00 0.63 -1.26 -5.19 116.66 101.43 1zgw n ARG 45 Ca -0.20 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.65 1zgw n ARG 45 Cb 0.55 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.36 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 -2.00 0.43 0.11 -0.14 3.76 -1.26 -4.99 115.29 111.21 1zgw s HIS 46 Ca 0.00 -0.90 0.11 0.00 -0.15 0.00 0.00 55.06 54.12 1zgw s HIS 46 Cb 0.00 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.33 1zgw s HIS 46 CO 0.00 -0.33 -0.27 0.00 -0.85 0.00 0.00 174.74 173.29 1zgw s ALA 47 N -3.21 2.34 0.98 -1.40 0.00 -1.26 -5.11 121.76 114.10 1zgw s ALA 47 Ca 0.00 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 50.40 1zgw s ALA 47 Cb 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1zgw s ALA 47 CO -0.07 0.54 0.03 1.28 0.00 0.00 0.00 175.76 177.53 1zgw n LEU 48 N 1.13 -1.85 0.24 0.00 4.77 -1.26 -4.80 117.00 115.23 1zgw n LEU 48 Ca -0.18 0.24 0.08 0.00 -0.03 0.00 0.00 56.01 56.12 1zgw n LEU 48 Cb 0.53 -1.06 0.63 0.00 -2.33 0.00 0.00 43.42 41.19 1zgw n LEU 48 CO 0.23 -4.09 1.08 -0.09 -1.33 0.00 0.00 177.39 173.18 1zgw h ARG 49 N -1.47 0.03 -0.66 3.23 2.43 -2.00 -3.10 114.38 112.84 1zgw h ARG 49 Ca -0.44 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.78 1zgw h ARG 49 Cb 1.30 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.76 1zgw h ARG 49 CO 0.32 0.02 -0.39 -1.91 -1.51 0.00 0.00 179.97 176.50 1zgw n GLU 50 N -4.53 -0.29 -0.55 0.20 0.00 -1.26 0.13 120.64 114.34 1zgw n GLU 50 Ca -0.02 1.21 0.06 0.00 0.00 0.00 0.00 57.16 58.41 1zgw n GLU 50 Cb 0.10 -1.79 0.28 0.00 0.00 0.00 0.00 31.44 30.03 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 -4.56 3.98 -4.33 4.31 3.02 -1.18 -4.87 115.26 111.64 1zgw n ASN 51 Ca 0.01 -2.49 -0.32 0.00 -0.03 0.00 0.00 54.58 51.75 1zgw n ASN 51 Cb 0.17 -0.56 -0.15 0.00 -0.61 0.00 0.00 39.78 38.63 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 -2.01 2.53 0.39 2.41 1.01 0.36 0.16 120.40 125.26 1zgw s VAL 52 Ca 0.38 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1zgw s VAL 52 Cb 0.27 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1zgw s VAL 52 CO 0.15 0.56 0.09 -0.94 0.00 0.00 0.00 175.10 174.96 1zgw s SER 53 N -0.03 2.80 0.12 3.32 1.04 -0.07 -4.80 113.70 116.09 1zgw s SER 53 Ca -0.06 -1.57 0.10 0.00 0.48 0.00 0.00 55.95 54.90 1zgw s SER 53 Cb -0.15 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 1zgw s SER 53 CO 0.05 -0.81 -0.24 -0.36 0.98 0.00 0.00 173.24 172.85 1zgw s PHE 54 N -3.20 2.09 0.10 5.02 0.08 -1.26 0.19 117.98 121.01 1zgw s PHE 54 Ca 0.26 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.96 1zgw s PHE 54 Cb 0.05 -1.13 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 1zgw s PHE 54 CO 0.14 0.29 -0.11 0.71 -0.10 0.00 0.00 175.22 176.14 1zgw s TYR 55 N -1.14 1.18 0.16 0.36 2.02 -0.61 -4.89 117.35 114.43 1zgw s TYR 55 Ca 0.11 -0.61 -0.10 0.00 -0.37 0.00 0.00 57.07 56.10 1zgw s TYR 55 Cb -0.10 -0.63 0.02 0.00 -0.40 0.00 0.00 41.96 40.84 1zgw s TYR 55 CO 0.05 0.05 1.55 0.00 -1.57 0.00 0.00 175.55 175.64 1zgw h ALA 56 N 3.57 0.70 -2.51 3.71 0.00 -1.90 -0.49 119.26 122.33 1zgw h ALA 56 Ca -0.38 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 53.95 1zgw h ALA 56 Cb 1.19 -0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.67 1zgw h ALA 56 CO 0.52 0.68 -0.59 0.54 0.00 0.00 0.00 179.25 180.40 1zgw s ASN 57 N -6.73 0.22 0.56 0.00 2.20 -1.26 -3.37 114.94 106.56 1zgw s ASN 57 Ca -0.11 -1.22 0.32 0.00 -0.94 0.00 0.00 52.86 50.91 1zgw s ASN 57 Cb 0.12 0.35 1.67 0.00 -2.00 0.00 0.00 41.25 41.39 1zgw s ASN 57 CO 0.87 -0.79 2.14 0.00 -2.94 0.00 0.00 177.10 176.37 1zgw h ALA 58 N 2.74 1.21 -0.17 3.54 0.00 -1.91 -2.08 119.26 122.58 1zgw h ALA 58 Ca -0.35 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 1zgw h ALA 58 Cb 1.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1zgw h ALA 58 CO 0.55 0.08 -0.59 1.03 0.00 0.00 0.00 179.25 180.33 1zgw h SER 59 N 0.00 0.64 -0.10 0.00 0.87 -1.96 0.75 113.55 113.75 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 0.26 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1zgw h SER 59 CO 0.01 1.09 0.05 -0.08 -0.53 0.00 0.00 176.83 177.37 1zgw h GLU 60 N 0.43 0.15 -0.61 2.24 4.57 -1.79 1.07 114.58 120.64 1zgw h GLU 60 Ca -0.00 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1zgw h GLU 60 Cb 1.15 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 1zgw h GLU 60 CO 0.11 0.20 0.40 0.00 -1.18 0.00 0.00 179.01 178.55 1zgw h ALA 61 N 0.94 0.77 0.00 2.92 0.00 -1.30 0.28 119.26 122.88 1zgw h ALA 61 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1zgw h ALA 61 Cb 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1zgw h ALA 61 CO -0.00 0.20 -0.04 -0.07 0.00 0.00 0.00 179.25 179.34 1zgw h LEU 62 N 0.82 0.00 -0.06 0.00 3.38 0.14 0.21 115.31 119.79 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 -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1zgw h LEU 62 CO -0.05 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.51 1zgw h ALA 63 N 1.96 1.00 0.00 1.53 0.00 0.47 -3.06 119.26 121.16 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 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 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 2.58 -1.96 0.00 0.00 0.72 -4.85 120.51 115.03 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 0.48 -1.47 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 0.81 0.82 3.76 0.00 0.00 -1.16 -5.07 105.19 104.36 1zgw n GLY 65 Ca 0.22 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.51 2.91 -0.35 1.61 0.40 -1.22 -5.00 117.98 113.81 1zgw s PHE 66 Ca 0.00 -0.20 -0.13 0.00 -0.60 0.00 0.00 56.93 56.00 1zgw s PHE 66 Cb 0.00 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 42.12 1zgw s PHE 66 CO 0.00 0.50 0.26 0.50 0.70 0.00 0.00 175.22 177.18 1zgw s ARG 67 N -3.80 3.41 0.31 0.44 3.52 0.13 -4.69 118.95 118.26 1zgw s ARG 67 Ca 0.34 -0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 54.95 1zgw s ARG 67 Cb -0.07 -3.84 -0.11 0.00 -1.56 0.00 0.00 34.95 29.38 1zgw s ARG 67 CO 0.23 -0.51 1.50 -1.25 -0.81 0.00 0.00 175.30 174.46 1zgw s PRO 68 N 1.74 4.18 -0.04 5.12 0.04 -1.26 -3.82 135.00 140.97 1zgw s PRO 68 Ca 0.06 2.47 -0.33 0.00 0.04 0.00 0.00 61.00 63.24 1zgw s PRO 68 Cb -0.18 -3.04 -0.11 0.00 0.04 0.00 0.00 34.50 31.22 1zgw s PRO 68 CO 0.11 -0.51 1.88 0.00 0.04 0.00 0.00 177.00 178.52 1zgw n LYS 70 N 6.57 0.00 -0.03 0.00 0.00 -1.26 0.25 118.16 123.69 1zgw n LYS 70 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.49 1zgw n LYS 70 Cb 0.32 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 33.81 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 -0.92 2.00 0.06 1.64 0.63 -1.26 -4.41 116.66 114.41 1zgw n ARG 71 Ca 0.00 0.01 0.05 0.00 -0.92 0.00 0.00 57.85 56.99 1zgw n ARG 71 Cb 0.00 -1.15 -0.05 0.00 0.45 0.00 0.00 32.46 31.71 1zgw n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1zgw h GLN 73 N 0.00 0.29 -0.19 0.00 4.15 -0.46 -3.36 115.11 115.54 1zgw h GLN 73 Ca -0.10 -0.50 -0.21 0.00 0.77 0.00 0.00 58.65 58.61 1zgw h GLN 73 Cb 1.35 0.19 0.01 0.00 0.21 0.00 0.00 27.48 29.23 1zgw h GLN 73 CO 0.03 1.24 -0.72 -1.00 -1.93 0.00 0.00 178.83 176.45 1zgw h PRO 74 N -0.39 0.83 -7.62 -2.39 0.13 -1.76 -3.45 132.00 117.35 1zgw h PRO 74 Ca -0.14 -0.63 -0.43 0.00 -0.87 0.00 0.00 66.00 63.93 1zgw h PRO 74 Cb 1.62 0.12 0.18 0.00 0.13 0.00 0.00 31.00 33.05 1zgw h PRO 74 CO 0.15 1.24 0.28 0.16 -0.23 0.00 0.00 178.00 179.60 1zgw s ASP 75 N -7.07 1.99 -0.08 1.44 1.47 -1.24 -5.05 116.67 108.13 1zgw s ASP 75 Ca -0.10 0.43 -0.02 0.00 1.18 0.00 0.00 52.55 54.03 1zgw s ASP 75 Cb 0.09 -0.56 -0.03 0.00 -0.34 0.00 0.00 42.92 42.08 1zgw s ASP 75 CO 0.90 -3.45 0.02 -0.54 0.68 0.00 0.00 175.17 172.79 1zgw s LYS 76 N -5.67 3.03 0.00 2.11 -0.14 -1.26 -4.94 119.74 112.87 1zgw s LYS 76 Ca 0.73 -0.39 0.00 0.00 -1.36 0.00 0.00 55.97 54.95 1zgw s LYS 76 Cb -0.06 -2.84 0.00 0.00 -1.68 0.00 0.00 37.83 33.25 1zgw s LYS 76 CO 0.54 0.71 0.00 0.00 -0.76 0.00 0.00 175.35 175.84 1zgw n ALA 77 N 2.03 0.00 0.21 5.17 0.00 -1.26 -3.57 120.51 123.08 1zgw n ALA 77 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.31 1zgw n ALA 77 Cb 0.54 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.51 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 0.06 0.16 0.00 -0.26 1.44 0.96 115.58 117.94 1zgw h ASN 78 Ca 0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1zgw h ASN 78 Cb 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1zgw h ASN 78 CO 0.00 0.16 0.00 1.55 -1.06 0.00 0.00 177.43 178.08 1zgw h PRO 79 N 0.06 0.00 0.46 0.81 0.13 -1.84 -2.72 132.00 128.91 1zgw h PRO 79 Ca 0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 1zgw h PRO 79 Cb 0.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.33 1zgw h PRO 79 CO 0.01 0.00 -0.27 -0.09 -0.23 0.00 0.00 178.00 177.42 1zgw h ARG 80 N 0.00 -0.66 -1.02 0.86 2.43 0.93 -1.25 114.38 115.67 1zgw h ARG 80 Ca 0.00 0.04 0.26 0.00 -0.81 0.00 0.00 59.98 59.48 1zgw h ARG 80 Cb 0.08 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.70 1zgw h ARG 80 CO 0.00 -0.44 0.68 1.96 -1.51 0.00 0.00 179.97 180.66 1zgw h GLN 81 N -0.68 0.29 -0.27 0.20 4.20 -1.57 -0.14 115.11 117.14 1zgw h GLN 81 Ca -0.06 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 1zgw h GLN 81 Cb 0.54 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1zgw h GLN 81 CO 0.07 0.19 -0.19 1.25 -0.67 0.00 0.00 178.83 179.49 1zgw h HIS 82 N 0.30 0.71 0.00 2.96 2.76 -1.47 -0.67 115.15 119.74 1zgw h HIS 82 Ca 0.55 -0.19 -0.03 0.00 -2.20 0.00 0.00 60.37 58.49 1zgw h HIS 82 Cb 1.57 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 30.36 1zgw h HIS 82 CO -0.00 0.88 -0.16 -0.09 -1.30 0.00 0.00 177.93 177.26 1zgw h ARG 83 N 0.33 0.00 0.02 5.26 2.43 0.12 -1.54 114.38 121.01 1zgw h ARG 83 Ca 0.05 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.02 1zgw h ARG 83 Cb 0.73 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1zgw h ARG 83 CO 0.05 0.16 -0.94 1.25 -1.51 0.00 0.00 179.97 178.98 1zgw h LEU 84 N 0.00 0.16 -1.11 3.80 5.85 -0.78 -2.84 115.31 120.39 1zgw h LEU 84 Ca -0.00 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1zgw h LEU 84 Cb 0.51 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1zgw h LEU 84 CO 0.02 1.01 0.33 0.44 -0.34 0.00 0.00 178.44 179.91 1zgw h ASP 85 N 0.05 0.86 -0.15 1.25 5.19 -0.12 -2.13 116.42 121.37 1zgw h ASP 85 Ca -0.04 -0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1zgw h ASP 85 Cb 1.62 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.89 1zgw h ASP 85 CO 0.14 0.72 0.06 0.50 -3.12 0.00 0.00 179.24 177.54 1zgw h LYS 86 N 0.96 0.13 -0.93 3.56 3.11 -1.23 -2.47 116.57 119.70 1zgw h LYS 86 Ca 0.24 -0.01 0.03 0.00 -2.81 0.00 0.00 60.65 58.10 1zgw h LYS 86 Cb 0.08 -0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.23 1zgw h LYS 86 CO -0.03 0.09 0.61 0.82 -2.81 0.00 0.00 179.45 178.12 1zgw h ILE 87 N 0.14 1.18 -0.84 2.00 2.04 -1.18 -0.66 117.51 120.18 1zgw h ILE 87 Ca 0.06 -0.41 0.14 0.00 1.00 0.00 0.00 64.86 65.65 1zgw h ILE 87 Cb 0.03 -0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 35.90 1zgw h ILE 87 CO -0.06 0.22 0.44 0.74 0.00 0.00 0.00 178.15 179.49 1zgw h THR 88 N 1.20 0.77 -0.98 -0.27 2.02 -0.98 1.12 112.91 115.79 1zgw h THR 88 Ca 0.36 -0.23 0.07 0.00 0.77 0.00 0.00 66.41 67.39 1zgw h THR 88 Cb -0.04 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 66.35 1zgw h THR 88 CO -0.11 0.12 0.63 -0.74 0.37 0.00 0.00 175.52 175.80 1zgw h HIS 89 N 0.66 1.15 -0.77 3.16 6.17 -0.73 0.59 115.15 125.39 1zgw h HIS 89 Ca 0.45 0.03 0.13 0.00 0.71 0.00 0.00 60.37 61.69 1zgw h HIS 89 Cb 0.59 -0.38 -0.05 0.00 2.52 0.00 0.00 27.41 30.09 1zgw h HIS 89 CO -0.09 0.59 0.51 0.00 0.71 0.00 0.00 177.93 179.65 1zgw h ALA 90 N 1.48 1.99 0.78 5.26 0.00 0.18 -1.04 119.26 127.91 1zgw h ALA 90 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 1zgw h ALA 90 Cb 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1zgw h ALA 90 CO -0.17 -0.18 -0.37 0.00 0.00 0.00 0.00 179.25 178.52 1zgw h ARG 92 N -1.17 -0.14 -0.77 0.00 9.65 -0.69 0.20 114.38 121.47 1zgw h ARG 92 Ca -0.11 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.88 1zgw h ARG 92 Cb 0.82 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.38 1zgw h ARG 92 CO 0.18 -0.09 0.50 -0.07 2.80 0.00 0.00 179.97 183.29 1zgw h LEU 93 N -0.14 0.60 -0.17 3.80 -0.00 -1.15 0.88 115.31 119.13 1zgw h LEU 93 Ca 0.24 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1zgw h LEU 93 Cb 0.52 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1zgw h LEU 93 CO -0.63 0.36 0.00 0.18 -0.00 0.00 0.00 178.44 178.35 1zgw n LEU 94 N -4.50 0.13 0.00 1.67 4.32 0.70 -2.17 117.00 117.14 1zgw n LEU 94 Ca 0.13 0.54 0.00 0.00 -0.02 0.00 0.00 56.01 56.66 1zgw n LEU 94 Cb 0.35 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1zgw n LEU 94 CO 0.32 -0.36 0.21 1.21 -1.22 0.00 0.00 177.39 177.55 1zgw n GLU 95 N -1.65 0.32 -0.07 3.23 4.07 -0.19 -4.43 120.64 121.91 1zgw n GLU 95 Ca 0.03 -0.51 -0.07 0.00 -0.06 0.00 0.00 57.16 56.54 1zgw n GLU 95 Cb 0.15 -0.70 -0.03 0.00 -0.06 0.00 0.00 31.44 30.80 1zgw n GLU 95 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1zgw h GLN 96 N 0.00 0.00 0.00 5.31 -0.00 0.12 -3.46 115.11 117.08 1zgw h GLN 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1zgw h GLN 96 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.01 1zgw h GLN 96 CO 0.00 0.19 0.00 -0.85 0.00 0.00 0.00 178.83 178.17 1zgw n GLU 97 N -4.60 2.44 -0.05 1.69 0.00 -1.14 -5.05 120.64 113.92 1zgw n GLU 97 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 56.98 1zgw n GLU 97 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.74 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 1.40 -2.09 3.84 -1.04 -1.26 -4.95 114.28 110.18 1zgw n THR 98 Ca 0.00 0.21 -0.40 0.00 -2.04 0.00 0.00 64.05 61.82 1zgw n THR 98 Cb 0.00 -2.14 -0.02 0.00 -1.82 0.00 0.00 70.33 66.36 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 -2.64 4.24 0.51 -2.82 0.04 -1.26 -4.99 135.00 128.09 1zgw s PRO 99 Ca -0.21 2.21 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 1zgw s PRO 99 Cb 0.03 -2.98 -0.08 0.00 0.04 0.00 0.00 34.50 31.51 1zgw s PRO 99 CO 0.31 -0.28 1.00 0.08 0.04 0.00 0.00 177.00 178.15 1zgw s VAL 100 N -1.18 4.24 -0.31 -0.36 1.01 -1.26 -4.94 120.40 117.61 1zgw s VAL 100 Ca 0.51 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.65 1zgw s VAL 100 Cb -0.39 -3.59 0.10 0.00 0.00 0.00 0.00 36.38 32.50 1zgw s VAL 100 CO 0.52 -0.52 0.11 0.42 0.00 0.00 0.00 175.10 175.63 1zgw s THR 101 N -2.42 0.64 0.00 3.92 -4.23 -1.26 -4.84 115.64 107.46 1zgw s THR 101 Ca 0.62 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1zgw s THR 101 Cb -0.12 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.22 1zgw s THR 101 CO 0.28 -0.69 0.03 -0.11 -0.54 0.00 0.00 174.62 173.58 1zgw n LEU 102 N 4.93 0.07 -0.33 4.79 7.94 -1.26 -4.81 117.00 128.33 1zgw n LEU 102 Ca -0.03 -0.27 0.17 0.00 -1.11 0.00 0.00 56.01 54.77 1zgw n LEU 102 Cb 0.42 0.00 0.33 0.00 0.53 0.00 0.00 43.42 44.70 1zgw n LEU 102 CO 0.10 0.02 0.85 -0.08 -1.11 0.00 0.00 177.39 177.17 1zgw h GLU 103 N 0.00 0.03 -0.46 1.96 4.57 -1.98 1.04 114.58 119.73 1zgw h GLU 103 Ca 0.00 -0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 1zgw h GLU 103 Cb 0.04 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1zgw h GLU 103 CO 0.00 0.02 -0.17 0.00 -1.18 0.00 0.00 179.01 177.68 1zgw h ALA 104 N 1.96 0.83 0.55 2.92 0.00 -1.99 0.43 119.26 123.97 1zgw h ALA 104 Ca 0.63 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1zgw h ALA 104 Cb 1.36 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1zgw h ALA 104 CO -0.87 0.65 -0.26 1.25 0.00 0.00 0.00 179.25 180.01 1zgw h LEU 105 N 0.79 -0.62 -1.33 0.00 7.12 0.49 -1.08 115.31 120.67 1zgw h LEU 105 Ca 0.12 -0.05 0.12 0.00 0.13 0.00 0.00 57.88 58.20 1zgw h LEU 105 Cb 0.71 0.16 -0.06 0.00 -0.53 0.00 0.00 40.66 40.94 1zgw h LEU 105 CO 0.05 -0.26 0.55 0.00 -0.13 0.00 0.00 178.44 178.65 1zgw h ALA 106 N -0.82 1.82 -0.53 1.25 0.00 -0.04 0.83 119.26 121.77 1zgw h ALA 106 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1zgw h ALA 106 Cb 0.63 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1zgw h ALA 106 CO 0.12 -0.02 0.01 -0.44 0.00 0.00 0.00 179.25 178.92 1zgw h ASP 107 N 0.69 0.87 -0.18 0.00 5.19 -0.80 0.37 116.42 122.56 1zgw h ASP 107 Ca 0.41 -0.22 -0.05 0.00 -0.62 0.00 0.00 57.03 56.55 1zgw h ASP 107 Cb 0.61 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 1zgw h ASP 107 CO -0.17 0.92 -0.09 -0.61 -3.12 0.00 0.00 179.24 176.18 1zgw h GLN 108 N 0.83 0.38 0.00 3.56 -0.00 0.45 -2.83 115.11 117.50 1zgw h GLN 108 Ca 0.16 -0.16 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 1zgw h GLN 108 Cb 0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.95 1zgw h GLN 108 CO 0.02 0.68 -0.12 0.28 0.00 0.00 0.00 178.83 179.69 1zgw h VAL 109 N 0.07 0.27 -0.05 2.39 2.07 -1.04 -3.47 116.25 116.49 1zgw h VAL 109 Ca 0.04 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1zgw h VAL 109 Cb 0.56 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1zgw h VAL 109 CO 0.03 0.12 -0.01 0.00 0.02 0.00 0.00 177.57 177.72 1zgw n ALA 110 N -2.15 -0.01 -3.50 1.67 0.00 0.12 -5.05 120.51 111.59 1zgw n ALA 110 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1zgw n ALA 110 Cb 0.42 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.36 0.17 -1.11 0.00 0.00 -0.78 -5.01 117.12 109.03 1zgw n MET 111 Ca -0.00 -1.33 -0.29 0.00 0.00 0.00 0.00 57.70 56.08 1zgw n MET 111 Cb 0.42 1.11 0.19 0.00 0.00 0.00 0.00 33.22 34.94 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 -1.94 2.25 0.43 3.17 0.15 -1.26 -4.57 113.70 111.92 1zgw s SER 112 Ca 0.16 1.14 0.14 0.00 0.70 0.00 0.00 55.95 58.09 1zgw s SER 112 Cb 0.01 -1.78 0.93 0.00 -1.71 0.00 0.00 66.02 63.46 1zgw s SER 112 CO 0.11 -3.36 1.94 1.55 1.20 0.00 0.00 173.24 174.68 1zgw h PRO 113 N -2.05 0.00 0.01 5.44 0.13 -1.97 -1.67 132.00 131.89 1zgw h PRO 113 Ca -0.55 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1zgw h PRO 113 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1zgw h PRO 113 CO 0.56 0.24 -0.00 0.74 -0.23 0.00 0.00 178.00 179.30 1zgw h PHE 114 N 0.00 -0.01 0.00 1.56 -1.00 -2.00 -2.16 116.94 113.33 1zgw h PHE 114 Ca -0.00 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1zgw h PHE 114 Cb 0.43 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.99 1zgw h PHE 114 CO 0.00 0.45 -0.03 1.25 -1.61 0.00 0.00 178.31 178.38 1zgw h HIS 115 N -0.47 0.00 -0.47 -0.55 2.76 -1.88 -1.88 115.15 112.66 1zgw h HIS 115 Ca -0.00 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 1zgw h HIS 115 Cb 0.46 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 1zgw h HIS 115 CO 0.09 0.03 -0.02 1.37 -1.30 0.00 0.00 177.93 178.09 1zgw h LEU 116 N 0.00 0.76 -0.61 0.26 8.10 -1.12 0.97 115.31 123.67 1zgw h LEU 116 Ca -0.00 -0.19 -0.04 0.00 0.11 0.00 0.00 57.88 57.76 1zgw h LEU 116 Cb 0.58 -0.20 -0.03 0.00 -0.44 0.00 0.00 40.66 40.57 1zgw h LEU 116 CO 0.00 0.85 0.24 0.45 -4.11 0.00 0.00 178.44 175.87 1zgw h HIS 117 N 0.73 0.94 -0.45 0.17 3.86 -0.70 -0.56 115.15 119.15 1zgw h HIS 117 Ca 0.14 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1zgw h HIS 117 Cb 0.48 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1zgw h HIS 117 CO 0.03 0.75 0.30 0.00 0.86 0.00 0.00 177.93 179.87 1zgw h ARG 118 N 0.86 0.51 -0.18 2.45 2.47 -0.59 -1.55 114.38 118.36 1zgw h ARG 118 Ca 0.20 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.82 1zgw h ARG 118 Cb 0.22 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1zgw h ARG 118 CO -0.02 0.34 -0.18 1.25 0.56 0.00 0.00 179.97 181.93 1zgw h LEU 119 N 0.53 0.47 -1.09 3.04 7.12 0.12 -1.32 115.31 124.18 1zgw h LEU 119 Ca 0.18 -0.48 0.22 0.00 0.13 0.00 0.00 57.88 57.93 1zgw h LEU 119 Cb 0.05 -0.13 -0.11 0.00 -0.53 0.00 0.00 40.66 39.94 1zgw h LEU 119 CO -0.04 0.85 0.61 0.15 -0.13 0.00 0.00 178.44 179.88 1zgw h PHE 120 N 0.09 0.96 -0.14 1.25 3.04 -0.16 0.25 116.94 122.23 1zgw h PHE 120 Ca 0.03 0.03 -0.22 0.00 3.98 0.00 0.00 57.97 61.79 1zgw h PHE 120 Cb 0.72 -0.28 0.01 0.00 2.56 0.00 0.00 35.95 38.96 1zgw h PHE 120 CO 0.08 0.15 -0.79 -0.22 -2.02 0.00 0.00 178.31 175.51 1zgw h LYS 121 N 0.63 0.74 0.23 1.11 3.11 -1.16 0.05 116.57 121.28 1zgw h LYS 121 Ca 0.60 -0.61 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1zgw h LYS 121 Cb 1.12 0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.48 1zgw h LYS 121 CO -0.39 1.22 -0.15 0.00 -2.81 0.00 0.00 179.45 177.32 1zgw h ALA 122 N 0.60 -0.36 0.52 5.00 0.00 0.54 1.64 119.26 127.20 1zgw h ALA 122 Ca -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1zgw h ALA 122 Cb 1.41 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.39 1zgw h ALA 122 CO 0.16 -0.71 -0.25 1.15 0.00 0.00 0.00 179.25 179.60 1zgw h THR 123 N -0.37 0.00 -0.76 0.00 2.02 -0.86 -3.09 112.91 109.84 1zgw h THR 123 Ca -0.02 -0.43 0.18 0.00 0.77 0.00 0.00 66.41 66.91 1zgw h THR 123 Cb 0.32 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.68 1zgw h THR 123 CO 0.02 0.00 0.52 0.00 0.37 0.00 0.00 175.52 176.43 1zgw h THR 124 N -1.14 0.72 0.00 3.16 1.03 -1.03 -3.46 112.91 112.19 1zgw h THR 124 Ca -0.07 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 1zgw h THR 124 Cb 0.54 0.43 0.00 0.00 -1.07 0.00 0.00 68.15 68.05 1zgw h THR 124 CO 0.12 0.05 0.00 0.61 -0.01 0.00 0.00 175.52 176.29 1zgw n GLY 125 N -1.58 2.88 2.69 2.99 0.00 0.56 -4.95 105.19 107.79 1zgw n GLY 125 Ca 0.15 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 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 1.20 -2.78 1.61 0.00 -1.05 -4.71 117.12 111.39 1zgw n MET 126 Ca 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 57.70 55.54 1zgw n MET 126 Cb 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 33.22 32.92 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 -0.59 -0.49 0.00 2.03 2.01 -1.26 -5.01 115.64 112.32 1zgw s THR 127 Ca 0.23 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.90 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 -0.06 0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.06 1zgw n PRO 128 N 3.12 0.00 0.31 4.92 -0.04 -1.26 -3.00 135.00 139.05 1zgw n PRO 128 Ca 0.12 0.00 0.21 0.00 -0.04 0.00 0.00 63.50 63.78 1zgw n PRO 128 Cb 0.61 0.00 1.09 0.00 -0.04 0.00 0.00 33.50 35.17 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 -0.39 0.54 3.64 -1.86 -0.67 116.57 117.83 1zgw h LYS 129 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1zgw h LYS 129 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1zgw h LYS 129 CO 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 179.45 176.89 1zgw h ALA 130 N 2.00 0.74 -0.68 5.00 0.00 -1.92 -1.71 119.26 122.70 1zgw h ALA 130 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1zgw h ALA 130 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1zgw h ALA 130 CO 0.00 0.66 0.16 2.35 0.00 0.00 0.00 179.25 182.42 1zgw h TRP 131 N 0.72 1.14 -0.96 0.00 -0.00 -1.02 -0.61 115.95 115.22 1zgw h TRP 131 Ca 0.08 -0.14 0.08 0.00 -0.00 0.00 0.00 58.89 58.91 1zgw h TRP 131 Cb 0.85 -0.32 -0.07 0.00 -0.00 0.00 0.00 29.16 29.62 1zgw h TRP 131 CO 0.05 0.93 0.61 0.37 -0.00 0.00 0.00 178.44 180.40 1zgw h GLN 132 N 1.01 1.04 0.11 2.65 -0.00 -1.30 0.46 115.11 119.07 1zgw h GLN 132 Ca 0.21 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.79 1zgw h GLN 132 Cb 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 27.61 1zgw h GLN 132 CO 0.00 0.69 -0.05 0.37 0.00 0.00 0.00 178.83 179.84 1zgw h GLN 133 N 1.07 -0.14 -0.82 1.69 4.15 -0.47 -1.69 115.11 118.90 1zgw h GLN 133 Ca 0.43 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.99 1zgw h GLN 133 Cb 0.24 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 27.88 1zgw h GLN 133 CO -0.20 0.20 0.42 0.00 -1.93 0.00 0.00 178.83 177.32 1zgw h ALA 134 N 0.35 1.20 0.03 3.38 0.00 -0.61 0.17 119.26 123.77 1zgw h ALA 134 Ca -0.01 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1zgw h ALA 134 Cb 0.40 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1zgw h ALA 134 CO 0.02 -0.06 -0.24 -1.49 0.00 0.00 0.00 179.25 177.48 1zgw h TRP 135 N 0.63 -0.64 0.00 0.00 -0.00 -0.79 0.26 115.95 115.41 1zgw h TRP 135 Ca 0.43 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.34 1zgw h TRP 135 Cb 0.56 0.28 0.00 0.00 -0.00 0.00 0.00 29.16 30.00 1zgw h TRP 135 CO -0.10 -0.33 0.00 -2.13 -0.00 0.00 0.00 178.44 175.88 1zgw n ARG 136 N -5.36 0.07 -0.08 0.49 0.63 0.09 0.81 116.66 113.30 1zgw n ARG 136 Ca -0.05 0.49 -0.12 0.00 -0.92 0.00 0.00 57.85 57.25 1zgw n ARG 136 Cb 0.28 -1.69 -0.08 0.00 0.45 0.00 0.00 32.46 31.42 1zgw n ARG 136 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1zgw h ALA 137 N 2.12 0.08 0.00 5.13 0.00 0.21 -3.44 119.26 123.37 1zgw h ALA 137 Ca 0.00 -0.61 -0.44 0.00 0.00 0.00 0.00 54.91 53.86 1zgw h ALA 137 Cb 0.10 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1zgw h ALA 137 CO 0.00 0.31 -2.48 -2.13 0.00 0.00 0.00 179.25 174.95 1zgw n ARG 138 N -4.59 0.57 0.00 0.00 0.63 -0.47 -5.10 116.66 107.70 1zgw n ARG 138 Ca -0.14 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1zgw n ARG 138 Cb 0.40 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.86 1zgw n ARG 138 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99