#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 -3.87 0.03 4.81 -1.26 -3.97 118.16 113.91 1zgw n LYS 2 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.09 1zgw n LYS 2 Cb 0.00 -3.50 0.02 0.00 0.02 0.00 0.00 35.03 31.57 1zgw n LYS 2 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1zgw n LYS 3 N -2.00 -1.29 -0.91 1.64 4.81 -1.26 -4.91 118.16 114.25 1zgw n LYS 3 Ca 0.00 0.32 -0.30 0.00 -0.87 0.00 0.00 58.31 57.46 1zgw n LYS 3 Cb 0.00 -3.72 0.17 0.00 0.02 0.00 0.00 35.03 31.49 1zgw n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1zgw s ALA 4 N -3.61 1.16 -1.09 3.14 0.00 -1.25 -4.92 121.76 115.19 1zgw s ALA 4 Ca 0.38 0.17 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 1zgw s ALA 4 Cb -0.16 -3.30 0.30 0.00 0.00 0.00 0.00 23.12 19.96 1zgw s ALA 4 CO 0.90 -2.74 1.42 0.25 0.00 0.00 0.00 175.76 175.59 1zgw n THR 5 N -4.18 5.19 -1.59 0.00 -2.24 -1.26 -4.48 114.28 105.72 1zgw n THR 5 Ca 0.08 -5.82 -0.00 0.00 -2.27 0.00 0.00 64.05 56.04 1zgw n THR 5 Cb 0.54 -2.18 -0.00 0.00 -2.10 0.00 0.00 70.33 66.58 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 -0.03 2.13 -3.48 0.00 4.77 -1.26 -4.64 117.00 114.48 1zgw n LEU 7 Ca -0.00 0.03 -0.40 0.00 -0.03 0.00 0.00 56.01 55.61 1zgw n LEU 7 Cb 0.30 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 1zgw n LEU 7 CO 0.00 0.53 3.02 0.41 -1.33 0.00 0.00 177.39 180.02 1zgw n THR 8 N -3.19 4.17 -0.04 -5.08 -1.04 -1.26 -4.60 114.28 103.23 1zgw n THR 8 Ca -0.25 -2.99 0.25 0.00 -2.04 0.00 0.00 64.05 59.01 1zgw n THR 8 Cb 0.72 -2.54 0.69 0.00 -1.82 0.00 0.00 70.33 67.38 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 5.29 0.00 -0.61 8.00 2.03 -1.98 0.73 116.42 129.88 1zgw h ASP 9 Ca 0.74 0.00 0.07 0.00 -0.73 0.00 0.00 57.03 57.11 1zgw h ASP 9 Cb 0.41 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.85 1zgw h ASP 9 CO 1.78 0.00 0.30 0.44 -1.03 0.00 0.00 179.24 180.73 1zgw h ASP 10 N 0.00 0.41 0.52 4.15 5.19 -1.99 0.40 116.42 125.10 1zgw h ASP 10 Ca 0.32 0.05 -0.29 0.00 -0.62 0.00 0.00 57.03 56.48 1zgw h ASP 10 Cb 1.63 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 41.09 1zgw h ASP 10 CO -0.00 0.26 -1.54 -0.61 -3.12 0.00 0.00 179.24 174.23 1zgw h GLN 11 N 0.55 0.14 -1.00 3.56 5.75 0.03 -1.87 115.11 122.27 1zgw h GLN 11 Ca 0.29 -0.24 0.19 0.00 -0.15 0.00 0.00 58.65 58.74 1zgw h GLN 11 Cb 0.25 0.09 -0.11 0.00 1.07 0.00 0.00 27.48 28.78 1zgw h GLN 11 CO -0.22 0.93 0.61 0.00 -2.65 0.00 0.00 178.83 177.50 1zgw h ARG 12 N 0.04 0.73 -0.56 1.69 -0.00 -0.72 1.55 114.38 117.11 1zgw h ARG 12 Ca -0.23 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.98 59.10 1zgw h ARG 12 Cb 1.98 -0.17 -0.02 0.00 0.00 0.00 0.00 29.97 31.76 1zgw h ARG 12 CO 0.13 0.48 -0.04 2.35 0.00 0.00 0.00 179.97 182.89 1zgw h TRP 13 N 0.75 1.11 -0.48 3.04 -0.00 -0.16 0.05 115.95 120.26 1zgw h TRP 13 Ca 0.58 -0.21 0.04 0.00 -0.00 0.00 0.00 58.89 59.31 1zgw h TRP 13 Cb 0.92 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 29.77 1zgw h TRP 13 CO -0.00 1.01 0.32 0.37 -0.00 0.00 0.00 178.44 180.13 1zgw h GLN 14 N 0.89 0.48 -0.07 2.65 4.15 0.28 0.27 115.11 123.75 1zgw h GLN 14 Ca 0.15 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.38 1zgw h GLN 14 Cb 0.59 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 1zgw h GLN 14 CO 0.04 0.32 -0.68 1.03 -1.93 0.00 0.00 178.83 177.60 1zgw h SER 15 N 0.49 0.39 0.67 -0.69 0.87 0.81 0.90 113.55 117.00 1zgw h SER 15 Ca 0.20 -0.24 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 1zgw h SER 15 Cb 0.17 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1zgw h SER 15 CO -0.05 0.96 -0.38 0.58 -0.53 0.00 0.00 176.83 177.41 1zgw h VAL 16 N 0.23 0.99 0.02 2.23 2.07 0.13 0.24 116.25 122.16 1zgw h VAL 16 Ca -0.02 -1.44 -0.34 0.00 0.82 0.00 0.00 66.70 65.72 1zgw h VAL 16 Cb 1.23 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 1zgw h VAL 16 CO 0.11 0.37 -2.07 0.18 0.02 0.00 0.00 177.57 176.18 1zgw n LEU 17 N -3.68 1.03 0.00 2.57 4.77 0.44 -3.75 117.00 118.38 1zgw n LEU 17 Ca -0.01 0.18 0.11 0.00 -0.03 0.00 0.00 56.01 56.26 1zgw n LEU 17 Cb 0.47 -0.00 0.47 0.00 -2.33 0.00 0.00 43.42 42.03 1zgw n LEU 17 CO 0.37 0.55 0.85 0.00 -1.33 0.00 0.00 177.39 177.83 1zgw n ALA 18 N -2.76 2.01 -3.89 -1.18 0.00 0.31 -4.87 120.51 110.13 1zgw n ALA 18 Ca -0.28 -0.08 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 1zgw n ALA 18 Cb 1.08 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 19.20 1zgw n ALA 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1zgw n ARG 19 N -1.50 -5.66 -2.10 0.00 0.00 0.78 -4.85 116.66 103.32 1zgw n ARG 19 Ca 0.05 0.61 -0.43 0.00 -0.00 0.00 0.00 57.85 58.09 1zgw n ARG 19 Cb 0.26 -5.50 -0.02 0.00 -0.00 0.00 0.00 32.46 27.20 1zgw n ARG 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1zgw s ASP 20 N -3.37 6.05 0.00 2.89 2.15 -0.78 -4.62 116.67 119.00 1zgw s ASP 20 Ca 0.63 1.19 0.05 0.00 0.43 0.00 0.00 52.55 54.85 1zgw s ASP 20 Cb -0.31 -2.53 0.31 0.00 -0.30 0.00 0.00 42.92 40.09 1zgw s ASP 20 CO 0.82 -1.60 0.75 -0.81 -0.17 0.00 0.00 175.17 174.16 1zgw n PRO 21 N 8.29 0.44 -0.00 4.34 -0.04 -1.26 -1.30 135.00 145.46 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 -1.19 -0.11 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 -0.69 0.84 -0.21 3.54 5.15 -1.26 -4.04 115.26 118.59 1zgw n ASN 22 Ca 0.04 -0.80 0.06 0.00 -0.60 0.00 0.00 54.58 53.28 1zgw n ASN 22 Cb 0.02 1.12 -0.01 0.00 -0.53 0.00 0.00 39.78 40.37 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 -1.53 3.04 -2.52 5.20 0.00 -0.42 -4.77 120.51 119.51 1zgw n ALA 23 Ca 0.02 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 1zgw n ALA 23 Cb 0.31 -0.41 -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 -1.62 7.14 0.00 0.00 2.15 -1.09 -1.93 116.67 121.32 1zgw s ASP 24 Ca 0.08 1.80 0.00 0.00 0.43 0.00 0.00 52.55 54.87 1zgw s ASP 24 Cb 0.09 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1zgw s ASP 24 CO 0.33 -0.48 0.00 0.61 -0.17 0.00 0.00 175.17 175.46 1zgw n GLY 25 N 3.21 2.92 0.16 2.66 0.00 -1.26 0.43 105.19 113.30 1zgw n GLY 25 Ca 0.09 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 0.54 -3.62 1.61 4.22 -1.63 -3.45 114.58 112.25 1zgw h GLU 26 Ca 0.00 -0.73 -0.06 0.00 0.08 0.00 0.00 59.36 58.66 1zgw h GLU 26 Cb 0.00 0.24 -0.09 0.00 0.50 0.00 0.00 28.75 29.41 1zgw h GLU 26 CO 0.00 1.32 -0.09 -0.59 -2.18 0.00 0.00 179.01 177.46 1zgw s PHE 27 N -2.91 0.35 0.40 0.92 -0.71 -0.99 -4.36 117.98 110.68 1zgw s PHE 27 Ca -0.11 -0.72 0.03 0.00 -1.04 0.00 0.00 56.93 55.10 1zgw s PHE 27 Cb 0.04 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 42.04 1zgw s PHE 27 CO 0.90 -1.02 0.09 0.14 -1.34 0.00 0.00 175.22 173.99 1zgw s VAL 28 N -3.94 0.83 -0.06 -2.49 -7.23 -0.24 -4.37 120.40 102.91 1zgw s VAL 28 Ca 0.22 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.37 1zgw s VAL 28 Cb -0.01 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.50 1zgw s VAL 28 CO 0.09 0.00 0.03 0.72 -0.31 0.00 0.00 175.10 175.63 1zgw s PHE 29 N -3.19 0.37 -0.34 2.82 -0.12 -1.25 -1.55 117.98 114.72 1zgw s PHE 29 Ca 0.25 0.04 -0.12 0.00 -0.05 0.00 0.00 56.93 57.05 1zgw s PHE 29 Cb 0.04 -0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 41.77 1zgw s PHE 29 CO 0.13 -0.26 0.23 0.00 -0.05 0.00 0.00 175.22 175.27 1zgw s ALA 30 N 2.07 3.47 -0.62 1.99 0.00 0.10 -3.84 121.76 124.93 1zgw s ALA 30 Ca 0.05 -1.39 -0.23 0.00 0.00 0.00 0.00 51.96 50.39 1zgw s ALA 30 Cb -0.12 -2.63 0.06 0.00 0.00 0.00 0.00 23.12 20.43 1zgw s ALA 30 CO -0.04 -0.97 0.95 0.08 0.00 0.00 0.00 175.76 175.77 1zgw s VAL 31 N 1.70 4.36 0.55 0.00 1.01 0.50 -0.84 120.40 127.68 1zgw s VAL 31 Ca 0.06 -0.13 0.42 0.00 0.00 0.00 0.00 61.98 62.33 1zgw s VAL 31 Cb -0.17 -4.62 0.43 0.00 0.00 0.00 0.00 36.38 32.02 1zgw s VAL 31 CO 0.10 -1.32 2.29 0.03 0.00 0.00 0.00 175.10 176.20 1zgw h ARG 32 N 9.46 0.00 -0.10 2.72 3.08 0.16 0.43 114.38 130.14 1zgw h ARG 32 Ca -0.28 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.71 1zgw h ARG 32 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1zgw h ARG 32 CO 1.14 0.00 -0.24 0.00 -1.07 0.00 0.00 179.97 179.80 1zgw h THR 33 N 0.00 1.22 -0.01 2.04 1.03 -1.90 -3.05 112.91 112.25 1zgw h THR 33 Ca -0.00 -1.02 0.00 0.00 -0.01 0.00 0.00 66.41 65.38 1zgw h THR 33 Cb 0.11 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 68.61 1zgw h THR 33 CO 0.00 0.31 0.00 1.07 -0.01 0.00 0.00 175.52 176.89 1zgw n THR 34 N -4.19 0.20 -2.93 0.00 5.66 -0.49 -4.99 114.28 107.54 1zgw n THR 34 Ca -0.01 -0.60 -0.21 0.00 -3.05 0.00 0.00 64.05 60.18 1zgw n THR 34 Cb 0.34 0.92 0.03 0.00 -1.55 0.00 0.00 70.33 70.07 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 -0.04 -0.45 3.50 1.09 0.00 0.14 -4.86 105.19 104.57 1zgw n GLY 35 Ca 0.01 0.06 -0.24 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 -3.13 1.95 -0.00 -0.61 1.01 -0.88 0.03 121.20 119.57 1zgw s ILE 36 Ca 0.26 -2.15 -0.13 0.00 0.00 0.00 0.00 60.65 58.63 1zgw s ILE 36 Cb -0.12 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.77 1zgw s ILE 36 CO 0.33 -0.22 0.28 0.72 0.00 0.00 0.00 174.94 176.05 1zgw s PHE 37 N -2.80 -0.13 0.38 3.97 -0.12 -1.25 0.19 117.98 118.21 1zgw s PHE 37 Ca 0.32 0.16 0.04 0.00 -0.05 0.00 0.00 56.93 57.40 1zgw s PHE 37 Cb 0.04 0.07 -0.01 0.00 -0.63 0.00 0.00 43.02 42.49 1zgw s PHE 37 CO 0.15 -0.39 0.54 1.03 -0.05 0.00 0.00 175.22 176.50 1zgw s ARG 39 N -1.50 3.08 0.30 1.99 0.52 -1.26 -3.75 118.95 118.33 1zgw s ARG 39 Ca -0.13 -0.84 0.24 0.00 -0.52 0.00 0.00 55.73 54.48 1zgw s ARG 39 Cb -0.05 -2.73 1.08 0.00 0.52 0.00 0.00 34.95 33.78 1zgw s ARG 39 CO 0.03 -0.07 1.72 -1.00 0.02 0.00 0.00 175.30 176.00 1zgw h PRO 40 N 0.71 0.00 -0.27 3.54 0.13 -1.85 -2.76 132.00 131.50 1zgw h PRO 40 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 1zgw h PRO 40 Cb 1.26 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 1zgw h PRO 40 CO 0.54 0.00 -0.24 -1.13 -0.23 0.00 0.00 178.00 176.94 1zgw n SER 41 N -2.30 2.42 -4.60 1.44 3.41 -1.26 -2.87 113.62 109.86 1zgw n SER 41 Ca 0.01 -3.83 -0.47 0.00 -0.26 0.00 0.00 58.87 54.31 1zgw n SER 41 Cb 0.17 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 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 1.54 2.64 -0.10 0.00 -4.01 -1.26 -4.59 116.66 110.88 1zgw n ARG 43 Ca 0.13 -2.48 -0.21 0.00 -1.04 0.00 0.00 57.85 54.25 1zgw n ARG 43 Cb 0.28 -1.53 -0.11 0.00 -3.04 0.00 0.00 32.46 28.06 1zgw n ARG 43 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1zgw n ALA 44 N 1.51 0.77 0.00 2.89 0.00 -1.26 -5.09 120.51 119.32 1zgw n ALA 44 Ca 0.22 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1zgw n ALA 44 Cb 0.60 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -4.44 -1.91 -4.06 0.00 3.00 -1.26 -5.19 116.66 102.80 1zgw n ARG 45 Ca -0.31 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.47 1zgw n ARG 45 Cb 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.01 1zgw n ARG 45 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1zgw s HIS 46 N -2.00 0.45 0.18 -0.14 3.76 -1.26 -4.97 115.29 111.30 1zgw s HIS 46 Ca 0.00 -0.92 0.11 0.00 -0.15 0.00 0.00 55.06 54.10 1zgw s HIS 46 Cb 0.00 -0.33 -0.04 0.00 1.11 0.00 0.00 32.58 33.32 1zgw s HIS 46 CO 0.00 -0.33 -0.25 0.00 -0.85 0.00 0.00 174.74 173.31 1zgw s ALA 47 N -3.28 2.49 0.85 -1.40 0.00 -1.26 -5.11 121.76 114.05 1zgw s ALA 47 Ca 0.01 -1.60 -0.15 0.00 0.00 0.00 0.00 51.96 50.23 1zgw s ALA 47 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1zgw s ALA 47 CO -0.08 0.45 0.36 1.28 0.00 0.00 0.00 175.76 177.77 1zgw n LEU 48 N 0.42 -0.28 0.24 0.00 4.77 -1.26 -4.82 117.00 116.08 1zgw n LEU 48 Ca -0.14 0.43 0.08 0.00 -0.03 0.00 0.00 56.01 56.35 1zgw n LEU 48 Cb 0.55 -1.17 0.62 0.00 -2.33 0.00 0.00 43.42 41.09 1zgw n LEU 48 CO 0.28 -3.62 1.06 -0.09 -1.33 0.00 0.00 177.39 173.69 1zgw h ARG 49 N -1.01 0.03 -0.54 3.23 2.43 -2.00 -3.10 114.38 113.42 1zgw h ARG 49 Ca -0.44 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.77 1zgw h ARG 49 Cb 1.31 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.79 1zgw h ARG 49 CO 0.37 0.03 -0.32 -1.91 -1.51 0.00 0.00 179.97 176.63 1zgw n GLU 50 N -4.52 -0.24 -0.38 0.20 2.13 -1.26 0.12 120.64 116.69 1zgw n GLU 50 Ca -0.03 1.21 0.04 0.00 0.66 0.00 0.00 57.16 59.05 1zgw n GLU 50 Cb 0.10 -1.79 0.19 0.00 0.27 0.00 0.00 31.44 30.21 1zgw n GLU 50 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1zgw n ASN 51 N -4.23 3.01 -4.35 4.31 3.02 -1.18 -4.83 115.26 111.01 1zgw n ASN 51 Ca 0.01 -2.34 -0.33 0.00 -0.03 0.00 0.00 54.58 51.89 1zgw n ASN 51 Cb 0.14 -0.50 -0.15 0.00 -0.61 0.00 0.00 39.78 38.66 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 -1.78 2.93 0.44 2.41 1.01 0.32 0.18 120.40 125.91 1zgw s VAL 52 Ca 0.27 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1zgw s VAL 52 Cb 0.19 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1zgw s VAL 52 CO 0.10 0.52 0.04 -0.94 0.00 0.00 0.00 175.10 174.83 1zgw s SER 53 N 0.42 3.49 0.12 3.32 1.04 -0.02 -4.83 113.70 117.24 1zgw s SER 53 Ca -0.11 -1.55 0.10 0.00 0.48 0.00 0.00 55.95 54.87 1zgw s SER 53 Cb -0.16 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 1zgw s SER 53 CO 0.05 -0.74 -0.24 -0.36 0.98 0.00 0.00 173.24 172.93 1zgw s PHE 54 N -2.98 2.04 0.12 5.02 0.08 -1.26 0.00 117.98 121.00 1zgw s PHE 54 Ca 0.21 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.92 1zgw s PHE 54 Cb 0.05 -1.11 -0.04 0.00 -0.57 0.00 0.00 43.02 41.36 1zgw s PHE 54 CO 0.11 0.28 -0.13 0.71 -0.10 0.00 0.00 175.22 176.09 1zgw s TYR 55 N -1.15 1.30 0.15 0.36 1.51 -0.59 -4.89 117.35 114.03 1zgw s TYR 55 Ca 0.10 -0.58 -0.11 0.00 -1.01 0.00 0.00 57.07 55.48 1zgw s TYR 55 Cb -0.10 -0.69 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 1zgw s TYR 55 CO 0.05 0.10 1.50 0.00 -1.11 0.00 0.00 175.55 176.09 1zgw h ALA 56 N 3.52 0.61 -2.44 3.71 0.00 -1.90 -0.61 119.26 122.15 1zgw h ALA 56 Ca -0.39 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 53.88 1zgw h ALA 56 Cb 1.19 -0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 1zgw h ALA 56 CO 0.51 0.68 -0.65 0.54 0.00 0.00 0.00 179.25 180.34 1zgw s ASN 57 N -6.81 0.34 0.55 0.00 2.20 -1.26 -3.47 114.94 106.48 1zgw s ASN 57 Ca -0.11 -1.23 0.30 0.00 -0.94 0.00 0.00 52.86 50.88 1zgw s ASN 57 Cb 0.11 0.30 1.59 0.00 -2.00 0.00 0.00 41.25 41.25 1zgw s ASN 57 CO 0.88 -0.73 2.12 0.00 -2.94 0.00 0.00 177.10 176.43 1zgw h ALA 58 N 2.83 1.28 -0.19 3.54 0.00 -1.91 -2.04 119.26 122.76 1zgw h ALA 58 Ca -0.35 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 1zgw h ALA 58 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1zgw h ALA 58 CO 0.59 0.10 -0.55 1.03 0.00 0.00 0.00 179.25 180.42 1zgw h SER 59 N 0.00 0.64 -0.07 0.00 0.87 -1.96 0.78 113.55 113.81 1zgw h SER 59 Ca -0.00 -0.34 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1zgw h SER 59 Cb 0.26 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1zgw h SER 59 CO 0.01 1.06 0.03 -0.08 -0.53 0.00 0.00 176.83 177.33 1zgw h GLU 60 N 0.44 0.10 -0.64 2.24 4.57 -1.79 1.27 114.58 120.76 1zgw h GLU 60 Ca 0.01 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1zgw h GLU 60 Cb 1.10 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 1zgw h GLU 60 CO 0.11 0.17 0.39 0.00 -1.18 0.00 0.00 179.01 178.50 1zgw h ALA 61 N 0.92 0.84 0.00 2.92 0.00 -1.25 0.24 119.26 122.93 1zgw h ALA 61 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1zgw h ALA 61 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1zgw h ALA 61 CO -0.00 0.14 -0.13 -0.07 0.00 0.00 0.00 179.25 179.19 1zgw h LEU 62 N 0.77 0.00 0.00 0.00 3.38 0.15 -0.26 115.31 119.35 1zgw h LEU 62 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1zgw h LEU 62 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1zgw h LEU 62 CO -0.11 0.13 -0.00 0.00 0.09 0.00 0.00 178.44 178.54 1zgw h ALA 63 N 1.87 1.00 0.00 1.53 0.00 0.48 -3.10 119.26 121.05 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 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1zgw h ALA 63 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1zgw n ALA 64 N -1.87 2.60 -1.76 0.00 0.00 -0.11 -4.84 120.51 114.53 1zgw n ALA 64 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1zgw n ALA 64 Cb 0.46 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.84 0.91 3.65 0.00 0.00 -1.17 -5.08 105.19 104.35 1zgw n GLY 65 Ca 0.21 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.52 2.74 -0.31 1.61 0.40 -1.22 -4.98 117.98 113.70 1zgw s PHE 66 Ca 0.00 -0.20 -0.12 0.00 -0.60 0.00 0.00 56.93 56.01 1zgw s PHE 66 Cb 0.00 -1.24 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 1zgw s PHE 66 CO 0.00 0.59 0.22 0.50 0.70 0.00 0.00 175.22 177.23 1zgw s ARG 67 N -3.51 3.73 0.29 0.44 3.52 0.10 -4.65 118.95 118.87 1zgw s ARG 67 Ca 0.30 -0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 55.14 1zgw s ARG 67 Cb -0.07 -3.73 -0.11 0.00 -1.56 0.00 0.00 34.95 29.48 1zgw s ARG 67 CO 0.20 -0.32 1.52 -1.25 -0.81 0.00 0.00 175.30 174.65 1zgw s PRO 68 N 1.76 4.17 -0.17 5.12 0.04 -1.26 -3.82 135.00 140.84 1zgw s PRO 68 Ca 0.07 2.48 -0.33 0.00 0.04 0.00 0.00 61.00 63.26 1zgw s PRO 68 Cb -0.17 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.23 1zgw s PRO 68 CO 0.11 -0.54 2.03 0.00 0.04 0.00 0.00 177.00 178.64 1zgw n LYS 70 N 7.47 0.00 -0.10 0.00 3.00 -1.26 0.13 118.16 127.41 1zgw n LYS 70 Ca 0.28 0.19 -0.12 0.00 -0.00 0.00 0.00 58.31 58.66 1zgw n LYS 70 Cb 0.32 -1.59 -0.11 0.00 0.00 0.00 0.00 35.03 33.65 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 -1.12 0.84 0.00 1.64 3.00 -1.26 -4.17 116.66 115.59 1zgw n ARG 71 Ca 0.00 0.07 0.12 0.00 -0.00 0.00 0.00 57.85 58.04 1zgw n ARG 71 Cb 0.09 -1.42 0.28 0.00 0.00 0.00 0.00 32.46 31.42 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 -0.66 0.65 -0.07 0.00 -0.06 0.36 -4.54 117.38 113.05 1zgw n GLN 73 Ca 0.11 0.12 -0.11 0.00 -2.00 0.00 0.00 57.00 55.12 1zgw n GLN 73 Cb 0.37 -1.70 -0.09 0.00 -4.06 0.00 0.00 30.24 24.76 1zgw n GLN 73 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1zgw h PRO 74 N 0.00 0.00 -7.62 3.69 0.13 -1.73 -3.47 132.00 123.00 1zgw h PRO 74 Ca -0.27 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.44 1zgw h PRO 74 Cb 1.76 0.00 0.18 0.00 0.13 0.00 0.00 31.00 33.07 1zgw h PRO 74 CO 0.04 0.68 0.28 0.16 -0.23 0.00 0.00 178.00 178.93 1zgw s ASP 75 N -6.12 1.94 -0.06 1.44 1.47 -1.26 -5.05 116.67 109.03 1zgw s ASP 75 Ca -0.16 0.41 0.00 0.00 1.18 0.00 0.00 52.55 53.99 1zgw s ASP 75 Cb -0.00 -0.53 -0.03 0.00 -0.34 0.00 0.00 42.92 42.02 1zgw s ASP 75 CO 0.47 -3.47 -0.04 -0.54 0.68 0.00 0.00 175.17 172.27 1zgw s LYS 76 N -5.68 2.81 0.00 2.11 -0.14 -1.26 -4.96 119.74 112.61 1zgw s LYS 76 Ca 0.73 -0.52 0.00 0.00 -1.36 0.00 0.00 55.97 54.82 1zgw s LYS 76 Cb -0.06 -2.65 0.00 0.00 -1.68 0.00 0.00 37.83 33.44 1zgw s LYS 76 CO 0.55 0.67 0.00 0.00 -0.76 0.00 0.00 175.35 175.80 1zgw n ALA 77 N 2.07 0.00 0.18 5.17 0.00 -1.26 -3.04 120.51 123.63 1zgw n ALA 77 Ca -0.18 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.36 1zgw n ALA 77 Cb 0.53 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.60 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 0.04 0.00 -0.26 0.86 1.38 115.58 117.65 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 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1zgw h ASN 78 CO 0.00 0.04 0.00 -0.81 -1.06 0.00 0.00 177.43 175.60 1zgw n PRO 79 N -4.51 0.12 0.05 0.81 -0.04 -1.26 -2.46 135.00 127.72 1zgw n PRO 79 Ca -0.00 0.61 -0.15 0.00 -0.04 0.00 0.00 63.50 63.92 1zgw n PRO 79 Cb 0.18 -1.89 -0.09 0.00 -0.04 0.00 0.00 33.50 31.65 1zgw n PRO 79 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1zgw h ARG 80 N 0.00 -0.61 -0.89 0.54 2.43 0.19 0.42 114.38 116.46 1zgw h ARG 80 Ca 0.00 0.04 0.21 0.00 -0.81 0.00 0.00 59.98 59.42 1zgw h ARG 80 Cb 0.02 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 1zgw h ARG 80 CO 0.00 -0.41 0.60 1.96 -1.51 0.00 0.00 179.97 180.61 1zgw h GLN 81 N -0.64 0.35 -0.36 0.20 1.08 -1.65 -0.28 115.11 113.82 1zgw h GLN 81 Ca 0.01 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.07 1zgw h GLN 81 Cb 0.68 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1zgw h GLN 81 CO -0.33 0.23 -0.26 0.45 -0.95 0.00 0.00 178.83 177.97 1zgw h HIS 82 N 0.36 0.95 0.00 2.96 3.86 -1.13 -0.81 115.15 121.34 1zgw h HIS 82 Ca 0.46 -0.26 -0.04 0.00 -1.16 0.00 0.00 60.37 59.37 1zgw h HIS 82 Cb 1.22 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 1zgw h HIS 82 CO -0.00 1.03 -0.21 -0.09 0.86 0.00 0.00 177.93 179.51 1zgw h ARG 83 N 0.59 0.00 0.00 2.45 2.43 0.55 -1.45 114.38 118.96 1zgw h ARG 83 Ca 0.07 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.05 1zgw h ARG 83 Cb 0.82 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1zgw h ARG 83 CO 0.07 0.21 -0.89 1.25 -1.51 0.00 0.00 179.97 179.10 1zgw h LEU 84 N 0.00 0.02 -1.08 3.80 7.12 -0.75 -2.75 115.31 121.67 1zgw h LEU 84 Ca -0.00 -0.02 -0.03 0.00 0.13 0.00 0.00 57.88 57.96 1zgw h LEU 84 Cb 0.56 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.65 1zgw h LEU 84 CO 0.03 0.90 0.32 0.44 -0.13 0.00 0.00 178.44 180.00 1zgw h ASP 85 N 0.01 0.87 0.28 1.25 3.32 -0.10 -2.09 116.42 119.96 1zgw h ASP 85 Ca -0.01 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1zgw h ASP 85 Cb 1.56 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 1zgw h ASP 85 CO 0.12 0.74 -0.22 0.50 -1.72 0.00 0.00 179.24 178.67 1zgw h LYS 86 N 0.96 -0.48 -0.74 3.56 3.11 -1.15 -2.43 116.57 119.39 1zgw h LYS 86 Ca 0.24 0.03 0.11 0.00 -2.81 0.00 0.00 60.65 58.22 1zgw h LYS 86 Cb 0.11 0.11 -0.08 0.00 -1.00 0.00 0.00 32.23 31.37 1zgw h LYS 86 CO -0.03 -0.32 0.36 0.82 -2.81 0.00 0.00 179.45 177.47 1zgw h ILE 87 N -0.50 0.79 -0.79 2.00 1.08 -1.22 0.71 117.51 119.59 1zgw h ILE 87 Ca -0.02 -0.20 0.13 0.00 -0.39 0.00 0.00 64.86 64.38 1zgw h ILE 87 Cb 0.44 0.16 -0.09 0.00 -3.07 0.00 0.00 36.82 34.27 1zgw h ILE 87 CO -0.01 0.11 0.38 0.74 -0.69 0.00 0.00 178.15 178.68 1zgw h THR 88 N 0.58 0.76 -0.85 -0.27 2.02 -1.04 1.10 112.91 115.20 1zgw h THR 88 Ca 0.38 -0.20 0.09 0.00 0.77 0.00 0.00 66.41 67.45 1zgw h THR 88 Cb 0.47 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 66.94 1zgw h THR 88 CO -0.31 0.11 0.55 -0.74 0.37 0.00 0.00 175.52 175.50 1zgw h HIS 89 N 0.59 0.91 -0.91 3.16 -0.00 -0.41 0.68 115.15 119.17 1zgw h HIS 89 Ca 0.42 0.02 0.13 0.00 -0.00 0.00 0.00 60.37 60.93 1zgw h HIS 89 Cb 0.55 -0.30 -0.07 0.00 -0.00 0.00 0.00 27.41 27.59 1zgw h HIS 89 CO -0.11 0.44 0.58 0.00 -0.00 0.00 0.00 177.93 178.84 1zgw h ALA 90 N 1.56 1.72 0.43 5.26 0.00 0.20 -0.74 119.26 127.69 1zgw h ALA 90 Ca 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1zgw h ALA 90 Cb 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1zgw h ALA 90 CO -0.15 0.05 -0.21 0.00 0.00 0.00 0.00 179.25 178.94 1zgw h ARG 92 N -0.69 -0.26 -0.76 0.00 2.43 -0.57 0.18 114.38 114.70 1zgw h ARG 92 Ca -0.06 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.22 1zgw h ARG 92 Cb 0.50 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 1zgw h ARG 92 CO 0.10 -0.18 0.50 -0.07 -1.51 0.00 0.00 179.97 178.81 1zgw h LEU 93 N -0.27 0.62 -0.07 3.80 3.38 -1.27 1.69 115.31 123.18 1zgw h LEU 93 Ca 0.16 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1zgw h LEU 93 Cb 0.57 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1zgw h LEU 93 CO -0.64 0.38 0.00 0.18 0.09 0.00 0.00 178.44 178.44 1zgw n LEU 94 N -4.50 0.06 0.00 1.67 4.32 0.58 -2.79 117.00 116.33 1zgw n LEU 94 Ca 0.13 0.52 0.00 0.00 -0.02 0.00 0.00 56.01 56.63 1zgw n LEU 94 Cb 0.32 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 1zgw n LEU 94 CO 0.33 -0.31 -0.05 1.21 -1.22 0.00 0.00 177.39 177.34 1zgw n GLU 95 N -1.57 3.47 -0.06 3.23 4.07 -0.10 -4.63 120.64 125.06 1zgw n GLU 95 Ca 0.03 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.03 1zgw n GLU 95 Cb 0.15 -0.35 -0.09 0.00 -0.06 0.00 0.00 31.44 31.09 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 -0.01 0.00 5.31 -0.00 0.26 -3.47 115.11 117.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1zgw h GLN 96 CO 0.00 0.69 0.00 -0.85 0.00 0.00 0.00 178.83 178.67 1zgw n GLU 97 N -4.68 2.46 -0.05 1.69 0.28 -1.14 -5.05 120.64 114.15 1zgw n GLU 97 Ca -0.07 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.87 1zgw n GLU 97 Cb 0.34 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.19 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 1.23 -1.78 3.84 -1.04 -1.26 -4.89 114.28 110.37 1zgw n THR 98 Ca 0.00 0.23 -0.41 0.00 -2.04 0.00 0.00 64.05 61.83 1zgw n THR 98 Cb 0.00 -2.04 -0.01 0.00 -1.82 0.00 0.00 70.33 66.46 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 -2.44 4.11 0.65 -2.82 0.04 -1.26 -4.90 135.00 128.38 1zgw s PRO 99 Ca -0.18 2.58 -0.12 0.00 0.04 0.00 0.00 61.00 63.32 1zgw s PRO 99 Cb 0.03 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.56 1zgw s PRO 99 CO 0.27 -0.59 1.05 0.08 0.04 0.00 0.00 177.00 177.85 1zgw s VAL 100 N -0.60 4.21 -0.54 -0.36 1.01 -1.26 -4.87 120.40 117.98 1zgw s VAL 100 Ca 0.58 0.78 -0.07 0.00 0.00 0.00 0.00 61.98 63.26 1zgw s VAL 100 Cb -0.47 -3.54 0.14 0.00 0.00 0.00 0.00 36.38 32.51 1zgw s VAL 100 CO 0.56 -0.87 0.40 0.42 0.00 0.00 0.00 175.10 175.61 1zgw s THR 101 N -2.97 4.15 0.09 3.92 -4.23 -1.26 -4.49 115.64 110.85 1zgw s THR 101 Ca 0.58 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1zgw s THR 101 Cb -0.13 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.00 1zgw s THR 101 CO 0.51 -0.82 0.00 0.18 -0.54 0.00 0.00 174.62 173.95 1zgw n LEU 102 N 4.42 0.11 -0.34 4.79 4.77 -1.26 -4.67 117.00 124.83 1zgw n LEU 102 Ca -0.01 0.15 0.16 0.00 -0.03 0.00 0.00 56.01 56.28 1zgw n LEU 102 Cb 0.41 0.06 0.31 0.00 -2.33 0.00 0.00 43.42 41.87 1zgw n LEU 102 CO 0.38 -0.50 0.83 -0.08 -1.33 0.00 0.00 177.39 176.69 1zgw h GLU 103 N 0.00 0.02 -0.30 3.23 4.57 -1.97 1.38 114.58 121.50 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 0.22 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1zgw h GLU 103 CO 0.00 0.01 -0.51 0.00 -1.18 0.00 0.00 179.01 177.33 1zgw h ALA 104 N 1.97 0.52 0.00 2.92 0.00 -1.90 -1.44 119.26 121.33 1zgw h ALA 104 Ca 0.61 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1zgw h ALA 104 Cb 1.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1zgw h ALA 104 CO -0.90 0.68 -0.32 1.25 0.00 0.00 0.00 179.25 179.97 1zgw h LEU 105 N 0.67 0.00 0.01 0.00 7.12 -0.54 -2.27 115.31 120.31 1zgw h LEU 105 Ca 0.02 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.00 1zgw h LEU 105 Cb 1.11 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 1zgw h LEU 105 CO 0.11 0.32 -0.14 0.00 -0.13 0.00 0.00 178.44 178.60 1zgw h ALA 106 N 1.68 0.00 -0.59 1.25 0.00 0.17 -2.23 119.26 119.56 1zgw h ALA 106 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1zgw h ALA 106 Cb 0.99 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1zgw h ALA 106 CO 0.04 0.02 0.36 -0.44 0.00 0.00 0.00 179.25 179.23 1zgw h ASP 107 N -0.72 0.69 -0.21 0.00 5.19 -1.29 0.59 116.42 120.67 1zgw h ASP 107 Ca -0.02 -0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 1zgw h ASP 107 Cb 0.97 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 1zgw h ASP 107 CO 0.03 0.52 -0.07 -0.61 -3.12 0.00 0.00 179.24 175.98 1zgw h GLN 108 N 0.80 0.43 0.00 3.56 4.15 -1.43 -3.11 115.11 119.51 1zgw h GLN 108 Ca 0.21 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1zgw h GLN 108 Cb -0.05 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1zgw h GLN 108 CO -0.04 0.69 -0.22 0.28 -1.93 0.00 0.00 178.83 177.61 1zgw n VAL 109 N -4.58 0.33 -1.72 2.39 0.31 -0.84 -4.93 118.33 109.30 1zgw n VAL 109 Ca -0.05 -0.19 -0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1zgw n VAL 109 Cb 0.31 -0.35 -0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1zgw n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1zgw n ALA 110 N -1.70 -0.01 -2.17 3.52 0.00 0.20 -5.05 120.51 115.29 1zgw n ALA 110 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 1zgw n ALA 110 Cb 0.40 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 19.23 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 -3.45 0.96 0.96 0.00 0.23 -0.47 -5.00 119.30 112.52 1zgw s MET 111 Ca 0.00 -1.45 -0.13 0.00 -1.03 0.00 0.00 55.69 53.08 1zgw s MET 111 Cb 0.00 0.06 0.17 0.00 -1.53 0.00 0.00 34.83 33.53 1zgw s MET 111 CO 0.00 -0.20 1.13 -1.12 -2.03 0.00 0.00 175.02 172.80 1zgw s SER 112 N -3.08 3.00 0.34 -1.18 0.01 -1.26 -4.26 113.70 107.27 1zgw s SER 112 Ca 0.22 0.97 0.04 0.00 1.31 0.00 0.00 55.95 58.49 1zgw s SER 112 Cb 0.07 -1.54 0.61 0.00 0.21 0.00 0.00 66.02 65.37 1zgw s SER 112 CO 0.01 -2.87 1.90 1.55 0.41 0.00 0.00 173.24 174.24 1zgw h PRO 113 N -1.72 0.59 -0.32 12.44 0.13 -1.96 -1.13 132.00 140.03 1zgw h PRO 113 Ca -0.51 -0.11 -0.15 0.00 -0.87 0.00 0.00 66.00 64.36 1zgw h PRO 113 Cb 1.33 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1zgw h PRO 113 CO 0.58 0.56 -0.39 0.74 -0.23 0.00 0.00 178.00 179.25 1zgw h PHE 114 N 0.57 0.93 0.00 1.56 -1.00 -2.00 -2.38 116.94 114.62 1zgw h PHE 114 Ca 0.13 -0.27 -0.07 0.00 2.81 0.00 0.00 57.97 60.57 1zgw h PHE 114 Cb 0.25 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1zgw h PHE 114 CO 0.01 1.05 -0.33 1.25 -1.61 0.00 0.00 178.31 178.68 1zgw h HIS 115 N 0.64 0.00 -0.34 -0.55 2.76 -1.75 -1.87 115.15 114.04 1zgw h HIS 115 Ca 0.05 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1zgw h HIS 115 Cb 0.95 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.89 1zgw h HIS 115 CO 0.05 0.33 0.19 1.25 -1.30 0.00 0.00 177.93 178.45 1zgw h LEU 116 N 0.00 0.42 -0.66 0.26 7.12 -0.82 0.65 115.31 122.27 1zgw h LEU 116 Ca -0.00 -0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.03 1zgw h LEU 116 Cb 0.78 -0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 40.73 1zgw h LEU 116 CO 0.04 0.37 0.29 0.45 -0.13 0.00 0.00 178.44 179.46 1zgw h HIS 117 N 0.43 0.50 -1.00 1.25 3.86 -0.94 0.19 115.15 119.45 1zgw h HIS 117 Ca 0.12 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.45 1zgw h HIS 117 Cb 0.04 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 28.31 1zgw h HIS 117 CO -0.03 0.15 0.64 -0.09 0.86 0.00 0.00 177.93 179.45 1zgw h ARG 118 N 0.49 1.05 0.08 2.45 9.65 -0.36 -1.14 114.38 126.60 1zgw h ARG 118 Ca 0.34 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 59.15 1zgw h ARG 118 Cb 0.40 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1zgw h ARG 118 CO -0.30 0.69 -0.04 1.25 2.80 0.00 0.00 179.97 184.37 1zgw h LEU 119 N 1.08 -0.10 -1.00 3.80 6.46 0.14 0.20 115.31 125.89 1zgw h LEU 119 Ca 0.46 -0.33 0.23 0.00 -0.12 0.00 0.00 57.88 58.12 1zgw h LEU 119 Cb 0.33 0.02 -0.12 0.00 -0.73 0.00 0.00 40.66 40.16 1zgw h LEU 119 CO -0.21 0.29 0.60 0.15 -0.62 0.00 0.00 178.44 178.64 1zgw h PHE 120 N -0.49 1.04 0.02 1.25 3.04 -0.20 0.15 116.94 121.73 1zgw h PHE 120 Ca -0.01 0.04 -0.26 0.00 3.98 0.00 0.00 57.97 61.71 1zgw h PHE 120 Cb 0.42 -0.30 0.02 0.00 2.56 0.00 0.00 35.95 38.64 1zgw h PHE 120 CO 0.05 0.13 -1.04 -0.22 -2.02 0.00 0.00 178.31 175.21 1zgw h LYS 121 N 0.65 0.67 0.40 1.11 3.64 -1.10 -1.35 116.57 120.58 1zgw h LYS 121 Ca 0.62 -0.75 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1zgw h LYS 121 Cb 1.11 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1zgw h LYS 121 CO -0.44 1.32 -0.22 0.00 -2.27 0.00 0.00 179.45 177.84 1zgw h ALA 122 N 0.37 -0.57 0.54 5.00 0.00 0.11 1.31 119.26 126.02 1zgw h ALA 122 Ca -0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1zgw h ALA 122 Cb 1.70 0.25 0.01 0.00 0.00 0.00 0.00 17.79 19.75 1zgw h ALA 122 CO 0.20 -0.83 -0.26 1.15 0.00 0.00 0.00 179.25 179.52 1zgw h THR 123 N -0.57 0.00 -0.95 0.00 2.02 -0.92 -2.98 112.91 109.52 1zgw h THR 123 Ca -0.05 -0.43 0.25 0.00 0.77 0.00 0.00 66.41 66.95 1zgw h THR 123 Cb 0.46 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.81 1zgw h THR 123 CO 0.07 0.00 0.65 0.00 0.37 0.00 0.00 175.52 176.61 1zgw h THR 124 N -1.16 0.57 0.00 3.16 1.03 -1.31 -3.46 112.91 111.74 1zgw h THR 124 Ca -0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1zgw h THR 124 Cb 0.56 0.37 0.00 0.00 -1.07 0.00 0.00 68.15 68.01 1zgw h THR 124 CO 0.12 0.03 0.00 0.61 -0.01 0.00 0.00 175.52 176.27 1zgw n GLY 125 N -1.62 2.88 2.70 2.99 0.00 0.44 -4.94 105.19 107.64 1zgw n GLY 125 Ca 0.20 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.95 1.61 0.00 -0.88 -4.68 117.12 111.44 1zgw n MET 126 Ca 0.00 -1.86 0.02 0.00 0.00 0.00 0.00 57.70 55.86 1zgw n MET 126 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 33.22 33.14 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 0.01 -0.46 0.00 2.03 2.01 -1.26 -4.99 115.64 112.97 1zgw s THR 127 Ca 0.21 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1zgw s THR 127 Cb 0.41 -0.07 0.00 0.00 0.01 0.00 0.00 72.50 72.84 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 4.13 0.00 0.30 4.92 -0.04 -1.26 -2.78 135.00 140.28 1zgw n PRO 128 Ca 0.07 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.70 1zgw n PRO 128 Cb 0.61 0.00 0.97 0.00 -0.04 0.00 0.00 33.50 35.04 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 -0.44 0.54 3.11 -1.92 -1.60 116.57 116.26 1zgw h LYS 129 Ca 0.00 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.71 1zgw h LYS 129 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 1zgw h LYS 129 CO 0.00 0.00 -0.25 0.00 -2.81 0.00 0.00 179.45 176.39 1zgw h ALA 130 N 2.00 0.72 -0.44 5.00 0.00 -1.95 -1.05 119.26 123.54 1zgw h ALA 130 Ca -0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1zgw h ALA 130 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1zgw h ALA 130 CO 0.00 0.67 0.01 2.35 0.00 0.00 0.00 179.25 182.28 1zgw h TRP 131 N 0.79 0.74 0.37 0.00 -0.00 -1.11 0.24 115.95 116.97 1zgw h TRP 131 Ca 0.10 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.89 58.88 1zgw h TRP 131 Cb 0.81 -0.21 0.00 0.00 -0.00 0.00 0.00 29.16 29.77 1zgw h TRP 131 CO 0.05 0.69 -0.18 0.37 -0.00 0.00 0.00 178.44 179.37 1zgw h GLN 132 N 0.66 -0.48 -0.20 2.65 5.75 -1.25 -1.89 115.11 120.35 1zgw h GLN 132 Ca 0.14 0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1zgw h GLN 132 Cb 0.40 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 1zgw h GLN 132 CO 0.01 -0.26 0.08 0.37 -2.65 0.00 0.00 178.83 176.39 1zgw h GLN 133 N -0.60 0.30 0.49 1.69 -0.00 -1.00 -1.99 115.11 114.00 1zgw h GLN 133 Ca -0.05 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.53 1zgw h GLN 133 Cb 0.44 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.85 1zgw h GLN 133 CO 0.08 0.36 -0.51 0.00 0.00 0.00 0.00 178.83 178.76 1zgw h ALA 134 N 0.93 -1.15 -0.69 3.38 0.00 -0.94 0.28 119.26 121.08 1zgw h ALA 134 Ca 0.07 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.94 1zgw h ALA 134 Cb 0.16 0.75 -0.12 0.00 0.00 0.00 0.00 17.79 18.58 1zgw h ALA 134 CO -0.01 -1.19 -0.03 -1.49 0.00 0.00 0.00 179.25 176.54 1zgw h TRP 135 N -1.00 -0.11 -1.00 0.00 -0.00 -1.35 0.43 115.95 112.91 1zgw h TRP 135 Ca -0.06 0.05 0.08 0.00 -0.00 0.00 0.00 58.89 58.96 1zgw h TRP 135 Cb 0.88 0.16 -0.07 0.00 -0.00 0.00 0.00 29.16 30.12 1zgw h TRP 135 CO -0.27 -0.22 0.64 -0.09 -0.00 0.00 0.00 178.44 178.50 1zgw h ARG 136 N 0.09 1.11 -0.38 0.49 2.43 -0.60 1.39 114.38 118.89 1zgw h ARG 136 Ca 0.36 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 1zgw h ARG 136 Cb 0.60 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1zgw h ARG 136 CO -0.62 0.73 -0.02 0.00 -1.51 0.00 0.00 179.97 178.55 1zgw h ALA 137 N 1.47 1.25 -0.02 2.80 0.00 0.35 -2.61 119.26 122.51 1zgw h ALA 137 Ca 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1zgw h ALA 137 Cb 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1zgw h ALA 137 CO -0.19 0.50 -0.36 -2.13 0.00 0.00 0.00 179.25 177.07 1zgw n ARG 138 N -4.24 1.50 0.00 0.00 0.63 -0.62 -5.10 116.66 108.82 1zgw n ARG 138 Ca 0.02 -1.23 0.00 0.00 -0.92 0.00 0.00 57.85 55.72 1zgw n ARG 138 Cb 0.28 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.72 1zgw n ARG 138 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99