#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 0.87 -0.82 0.03 3.00 -1.26 -5.03 118.16 114.95 1zgw n LYS 2 Ca 0.00 -0.04 -0.33 0.00 -0.00 0.00 0.00 58.31 57.94 1zgw n LYS 2 Cb 0.00 -1.14 0.13 0.00 0.00 0.00 0.00 35.03 34.02 1zgw n LYS 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1zgw n LYS 3 N -1.83 -0.26 0.00 1.64 4.01 -1.26 -5.02 118.16 115.44 1zgw n LYS 3 Ca -0.03 -0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.74 1zgw n LYS 3 Cb 0.28 -1.99 0.00 0.00 -0.51 0.00 0.00 35.03 32.81 1zgw n LYS 3 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1zgw n ALA 4 N -3.64 0.00 0.03 7.82 0.00 -1.26 -4.94 120.51 118.52 1zgw n ALA 4 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1zgw n ALA 4 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1zgw n ALA 4 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1zgw n THR 5 N 0.00 0.02 -0.49 0.00 -2.24 -1.26 -4.76 114.28 105.54 1zgw n THR 5 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1zgw n THR 5 Cb 0.00 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 -6.05 -3.68 0.00 7.99 -1.26 -4.86 117.00 109.14 1zgw n LEU 7 Ca 0.00 -0.47 -0.41 0.00 -0.01 0.00 0.00 56.01 55.11 1zgw n LEU 7 Cb 0.00 -3.24 -0.00 0.00 -0.11 0.00 0.00 43.42 40.07 1zgw n LEU 7 CO 0.00 -0.36 2.37 0.41 -1.51 0.00 0.00 177.39 178.30 1zgw n THR 8 N -2.69 4.42 -0.49 -5.08 -1.04 -1.26 -4.78 114.28 103.37 1zgw n THR 8 Ca -0.04 -3.93 0.41 0.00 -2.04 0.00 0.00 64.05 58.45 1zgw n THR 8 Cb 0.57 -2.36 0.63 0.00 -1.82 0.00 0.00 70.33 67.36 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 3.66 0.00 0.02 8.00 5.68 -1.26 0.19 116.55 132.83 1zgw n ASP 9 Ca 0.52 0.85 -0.11 0.00 -0.50 0.00 0.00 54.79 55.56 1zgw n ASP 9 Cb 0.32 -0.38 -0.05 0.00 -1.14 0.00 0.00 41.12 39.87 1zgw n ASP 9 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1zgw h ASP 10 N 0.00 -0.15 1.06 -1.12 5.19 -2.00 0.14 116.42 119.55 1zgw h ASP 10 Ca 0.72 0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 57.07 1zgw h ASP 10 Cb 3.27 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 42.85 1zgw h ASP 10 CO -0.01 -0.07 -0.47 -0.61 -3.12 0.00 0.00 179.24 174.97 1zgw h GLN 11 N -0.05 0.00 -1.00 3.56 5.75 0.16 -2.18 115.11 121.35 1zgw h GLN 11 Ca 0.04 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.66 1zgw h GLN 11 Cb 0.12 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.58 1zgw h GLN 11 CO -0.10 0.47 0.63 0.00 -2.65 0.00 0.00 178.83 177.18 1zgw h ARG 12 N 0.00 0.96 -0.77 1.69 3.08 0.23 1.78 114.38 121.35 1zgw h ARG 12 Ca -0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1zgw h ARG 12 Cb 1.12 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.92 1zgw h ARG 12 CO 0.06 0.64 0.36 2.35 -1.07 0.00 0.00 179.97 182.31 1zgw h TRP 13 N 0.99 1.12 0.00 3.04 -0.00 -0.17 1.30 115.95 122.22 1zgw h TRP 13 Ca 0.50 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.89 59.32 1zgw h TRP 13 Cb 0.49 -0.34 -0.00 0.00 -0.00 0.00 0.00 29.16 29.31 1zgw h TRP 13 CO -0.00 0.83 -0.05 0.37 -0.00 0.00 0.00 178.44 179.59 1zgw h GLN 14 N 1.09 0.00 -0.02 2.65 -0.00 0.23 0.36 115.11 119.41 1zgw h GLN 14 Ca 0.26 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.72 1zgw h GLN 14 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.61 1zgw h GLN 14 CO -0.03 0.05 -0.82 0.77 0.00 0.00 0.00 178.83 178.79 1zgw h SER 15 N 0.00 0.34 0.77 -0.69 0.02 0.62 0.46 113.55 115.07 1zgw h SER 15 Ca -0.00 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 60.58 1zgw h SER 15 Cb 0.08 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1zgw h SER 15 CO 0.01 1.02 -0.56 0.58 -1.14 0.00 0.00 176.83 176.74 1zgw h VAL 16 N 0.17 1.24 0.01 2.27 2.07 0.48 -0.05 116.25 122.44 1zgw h VAL 16 Ca -0.04 -2.02 -0.33 0.00 0.82 0.00 0.00 66.70 65.13 1zgw h VAL 16 Cb 1.42 2.14 -0.06 0.00 -1.52 0.00 0.00 31.29 33.27 1zgw h VAL 16 CO 0.13 0.55 -2.04 0.18 0.02 0.00 0.00 177.57 176.41 1zgw n LEU 17 N -3.65 0.71 0.10 2.57 4.77 0.90 -3.91 117.00 118.49 1zgw n LEU 17 Ca -0.01 0.21 0.13 0.00 -0.03 0.00 0.00 56.01 56.31 1zgw n LEU 17 Cb 0.61 0.18 0.44 0.00 -2.33 0.00 0.00 43.42 42.33 1zgw n LEU 17 CO 0.41 0.49 0.88 0.00 -1.33 0.00 0.00 177.39 177.83 1zgw n ALA 18 N -2.69 2.10 -3.18 -1.18 0.00 0.16 -4.90 120.51 110.81 1zgw n ALA 18 Ca -0.26 -0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.03 1zgw n ALA 18 Cb 1.09 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 19.16 1zgw n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1zgw n ARG 19 N -2.16 -5.08 -2.11 0.00 5.12 -0.14 -4.91 116.66 107.38 1zgw n ARG 19 Ca 0.05 0.54 -0.43 0.00 -1.93 0.00 0.00 57.85 56.07 1zgw n ARG 19 Cb 0.36 -4.68 -0.02 0.00 -1.16 0.00 0.00 32.46 26.95 1zgw n ARG 19 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1zgw s ASP 20 N -3.27 6.05 0.00 0.55 2.15 -0.53 -4.71 116.67 116.90 1zgw s ASP 20 Ca 0.34 1.18 0.07 0.00 0.43 0.00 0.00 52.55 54.57 1zgw s ASP 20 Cb -0.15 -2.53 0.43 0.00 -0.30 0.00 0.00 42.92 40.37 1zgw s ASP 20 CO 0.47 -1.61 0.94 -0.81 -0.17 0.00 0.00 175.17 174.00 1zgw n PRO 21 N 8.30 0.59 -0.00 4.34 -0.04 -1.26 -1.91 135.00 145.01 1zgw n PRO 21 Ca 0.21 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.74 1zgw n PRO 21 Cb 0.47 -1.19 -0.09 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 -0.69 0.84 -0.19 3.54 5.15 -1.26 -4.15 115.26 118.50 1zgw n ASN 22 Ca 0.05 -0.71 0.05 0.00 -0.60 0.00 0.00 54.58 53.38 1zgw n ASN 22 Cb 0.02 1.13 -0.01 0.00 -0.53 0.00 0.00 39.78 40.39 1zgw n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1zgw n ALA 23 N -1.49 3.00 -2.59 5.20 0.00 -0.80 -4.79 120.51 119.04 1zgw n ALA 23 Ca 0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1zgw n ALA 23 Cb 0.27 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 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 7.22 0.00 0.00 -1.08 -1.05 -2.31 116.67 117.87 1zgw s ASP 24 Ca 0.08 1.74 0.00 0.00 -0.52 0.00 0.00 52.55 53.85 1zgw s ASP 24 Cb 0.09 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.98 1zgw s ASP 24 CO 0.31 -0.41 0.00 0.61 0.52 0.00 0.00 175.17 176.21 1zgw n GLY 25 N 3.10 2.97 0.07 2.66 0.00 -1.26 0.50 105.19 113.23 1zgw n GLY 25 Ca 0.08 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 0.04 -4.57 1.61 4.57 -1.73 -3.46 114.58 111.04 1zgw h GLU 26 Ca 0.00 -0.04 -0.24 0.00 -1.18 0.00 0.00 59.36 57.90 1zgw h GLU 26 Cb 0.00 0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 28.45 1zgw h GLU 26 CO 0.00 0.82 -0.60 -0.59 -1.18 0.00 0.00 179.01 177.45 1zgw s PHE 27 N -3.08 1.15 0.41 0.92 -0.71 -1.06 -4.37 117.98 111.24 1zgw s PHE 27 Ca -0.17 -1.37 0.03 0.00 -1.04 0.00 0.00 56.93 54.38 1zgw s PHE 27 Cb -0.01 -0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 41.23 1zgw s PHE 27 CO 0.70 -0.65 0.07 0.14 -1.34 0.00 0.00 175.22 174.14 1zgw s VAL 28 N -4.15 0.97 -0.04 -2.49 -7.23 -0.23 -4.35 120.40 102.88 1zgw s VAL 28 Ca 0.39 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1zgw s VAL 28 Cb 0.07 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.58 1zgw s VAL 28 CO 0.12 0.00 0.05 0.72 -0.31 0.00 0.00 175.10 175.68 1zgw s PHE 29 N -3.11 0.13 -0.35 2.82 -0.12 -1.25 -1.56 117.98 114.54 1zgw s PHE 29 Ca 0.23 0.18 -0.14 0.00 -0.05 0.00 0.00 56.93 57.16 1zgw s PHE 29 Cb 0.04 -0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 41.95 1zgw s PHE 29 CO 0.12 -0.19 0.27 0.00 -0.05 0.00 0.00 175.22 175.37 1zgw s ALA 30 N 1.93 3.50 -0.39 1.99 0.00 0.96 -3.91 121.76 125.84 1zgw s ALA 30 Ca 0.02 -1.43 -0.23 0.00 0.00 0.00 0.00 51.96 50.32 1zgw s ALA 30 Cb -0.12 -2.73 0.01 0.00 0.00 0.00 0.00 23.12 20.28 1zgw s ALA 30 CO -0.03 -1.08 0.76 0.08 0.00 0.00 0.00 175.76 175.48 1zgw s VAL 31 N 1.75 4.73 0.11 0.00 1.01 0.36 -1.07 120.40 127.29 1zgw s VAL 31 Ca 0.07 0.67 0.34 0.00 0.00 0.00 0.00 61.98 63.05 1zgw s VAL 31 Cb -0.18 -4.23 0.39 0.00 0.00 0.00 0.00 36.38 32.37 1zgw s VAL 31 CO 0.11 -0.52 1.99 0.03 0.00 0.00 0.00 175.10 176.71 1zgw h ARG 32 N 8.66 0.00 -0.21 2.72 3.08 0.11 0.22 114.38 128.96 1zgw h ARG 32 Ca -0.25 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.71 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 0.00 -0.25 0.00 -1.07 0.00 0.00 179.97 179.57 1zgw h THR 33 N 0.00 1.25 -0.05 2.04 1.03 -1.91 -3.06 112.91 112.21 1zgw h THR 33 Ca -0.00 -1.20 0.00 0.00 -0.01 0.00 0.00 66.41 65.20 1zgw h THR 33 Cb 0.50 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 68.96 1zgw h THR 33 CO 0.00 0.37 0.00 1.07 -0.01 0.00 0.00 175.52 176.95 1zgw n THR 34 N -4.14 0.23 -3.02 0.00 5.66 -1.04 -4.98 114.28 107.00 1zgw n THR 34 Ca -0.01 -0.62 -0.22 0.00 -3.05 0.00 0.00 64.05 60.15 1zgw n THR 34 Cb 0.38 0.97 0.03 0.00 -1.55 0.00 0.00 70.33 70.16 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 0.25 -0.52 3.46 1.09 0.00 0.70 -4.83 105.19 105.34 1zgw n GLY 35 Ca 0.04 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.12 1.93 0.01 -0.61 1.01 -0.80 0.52 121.20 120.13 1zgw s ILE 36 Ca 0.29 -2.19 -0.05 0.00 0.00 0.00 0.00 60.65 58.70 1zgw s ILE 36 Cb -0.13 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 1zgw s ILE 36 CO 0.36 -0.32 0.08 0.72 0.00 0.00 0.00 174.94 175.78 1zgw s PHE 37 N -2.83 0.12 0.33 3.97 -0.12 -1.25 0.13 117.98 118.33 1zgw s PHE 37 Ca 0.30 -0.29 0.07 0.00 -0.05 0.00 0.00 56.93 56.96 1zgw s PHE 37 Cb 0.02 -0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.29 1zgw s PHE 37 CO 0.13 -0.26 0.39 1.03 -0.05 0.00 0.00 175.22 176.46 1zgw s ARG 39 N -1.47 3.00 0.41 1.99 3.00 -1.26 -3.83 118.95 120.78 1zgw s ARG 39 Ca -0.15 -1.09 0.29 0.00 0.00 0.00 0.00 55.73 54.78 1zgw s ARG 39 Cb -0.08 -2.70 1.37 0.00 0.00 0.00 0.00 34.95 33.54 1zgw s ARG 39 CO 0.00 0.11 1.87 -1.00 0.00 0.00 0.00 175.30 176.28 1zgw h PRO 40 N 1.05 0.00 -0.28 3.54 0.13 -1.84 -2.72 132.00 131.88 1zgw h PRO 40 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 1zgw h PRO 40 Cb 1.25 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.28 1zgw h PRO 40 CO 0.55 0.00 -0.24 -1.13 -0.23 0.00 0.00 178.00 176.95 1zgw n SER 41 N -2.57 2.47 -4.52 1.44 3.41 -1.26 -3.13 113.62 109.46 1zgw n SER 41 Ca -0.00 -3.83 -0.46 0.00 -0.26 0.00 0.00 58.87 54.32 1zgw n SER 41 Cb 0.17 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.50 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 0.87 2.26 -0.10 0.00 -4.01 -1.26 -4.59 116.66 109.82 1zgw n ARG 43 Ca 0.13 -1.96 -0.21 0.00 -1.04 0.00 0.00 57.85 54.77 1zgw n ARG 43 Cb 0.29 -1.46 -0.11 0.00 -3.04 0.00 0.00 32.46 28.15 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 1.33 0.77 0.00 2.89 0.00 -1.26 -5.09 120.51 119.14 1zgw n ALA 44 Ca 0.15 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1zgw n ALA 44 Cb 0.58 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.61 -4.07 0.00 3.00 -1.26 -5.19 116.66 102.09 1zgw n ARG 45 Ca -0.31 0.00 -0.07 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 0.47 0.27 -0.14 3.76 -1.26 -4.94 115.29 111.45 1zgw s HIS 46 Ca 0.00 -0.96 0.12 0.00 -0.15 0.00 0.00 55.06 54.07 1zgw s HIS 46 Cb 0.00 -0.35 -0.05 0.00 1.11 0.00 0.00 32.58 33.29 1zgw s HIS 46 CO 0.00 -0.34 -0.20 0.00 -0.85 0.00 0.00 174.74 173.35 1zgw s ALA 47 N -3.43 2.72 0.92 -1.40 0.00 -1.26 -5.12 121.76 114.19 1zgw s ALA 47 Ca 0.02 -1.86 -0.12 0.00 0.00 0.00 0.00 51.96 50.00 1zgw s ALA 47 Cb 0.04 -0.26 0.08 0.00 0.00 0.00 0.00 23.12 22.99 1zgw s ALA 47 CO -0.08 0.28 0.78 1.28 0.00 0.00 0.00 175.76 178.02 1zgw n LEU 48 N -0.57 1.64 0.22 0.00 4.77 -1.26 -4.85 117.00 116.95 1zgw n LEU 48 Ca -0.05 0.39 0.06 0.00 -0.03 0.00 0.00 56.01 56.38 1zgw n LEU 48 Cb 0.60 -1.34 0.53 0.00 -2.33 0.00 0.00 43.42 40.87 1zgw n LEU 48 CO 0.37 -2.86 0.95 -0.09 -1.33 0.00 0.00 177.39 174.43 1zgw h ARG 49 N -1.62 0.03 -0.57 3.23 2.43 -2.00 -3.14 114.38 112.73 1zgw h ARG 49 Ca -0.43 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.78 1zgw h ARG 49 Cb 1.28 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.76 1zgw h ARG 49 CO 0.38 0.15 -0.34 -1.91 -1.51 0.00 0.00 179.97 176.75 1zgw n GLU 50 N -4.38 -0.25 -0.46 0.20 0.00 -1.26 0.10 120.64 114.59 1zgw n GLU 50 Ca -0.02 1.21 0.05 0.00 0.00 0.00 0.00 57.16 58.40 1zgw n GLU 50 Cb 0.20 -1.79 0.24 0.00 0.00 0.00 0.00 31.44 30.09 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 -4.30 3.50 -4.41 4.31 3.02 -1.21 -4.85 115.26 111.33 1zgw n ASN 51 Ca 0.01 -2.41 -0.33 0.00 -0.03 0.00 0.00 54.58 51.82 1zgw n ASN 51 Cb 0.15 -0.53 -0.14 0.00 -0.61 0.00 0.00 39.78 38.65 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 -1.89 3.25 0.42 2.41 1.01 0.28 0.15 120.40 126.03 1zgw s VAL 52 Ca 0.33 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1zgw s VAL 52 Cb 0.23 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1zgw s VAL 52 CO 0.13 0.52 0.07 -0.94 0.00 0.00 0.00 175.10 174.88 1zgw s SER 53 N 0.27 3.17 0.13 3.32 1.04 -0.23 -4.83 113.70 116.56 1zgw s SER 53 Ca -0.08 -1.56 0.10 0.00 0.48 0.00 0.00 55.95 54.89 1zgw s SER 53 Cb -0.15 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1zgw s SER 53 CO 0.05 -0.78 -0.25 -0.36 0.98 0.00 0.00 173.24 172.88 1zgw s PHE 54 N -3.09 2.16 0.10 5.02 0.08 -1.26 -0.03 117.98 120.97 1zgw s PHE 54 Ca 0.23 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 56.93 1zgw s PHE 54 Cb 0.05 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 1zgw s PHE 54 CO 0.12 0.31 -0.11 0.71 -0.10 0.00 0.00 175.22 176.16 1zgw s TYR 55 N -1.13 1.09 0.12 0.36 2.02 -0.60 -4.90 117.35 114.30 1zgw s TYR 55 Ca 0.12 -0.63 -0.12 0.00 -0.37 0.00 0.00 57.07 56.08 1zgw s TYR 55 Cb -0.10 -0.59 -0.11 0.00 -0.40 0.00 0.00 41.96 40.76 1zgw s TYR 55 CO 0.06 0.01 1.37 0.00 -1.57 0.00 0.00 175.55 175.42 1zgw h ALA 56 N 3.64 0.41 -2.30 3.71 0.00 -1.90 -0.60 119.26 122.22 1zgw h ALA 56 Ca -0.38 -0.56 -0.20 0.00 0.00 0.00 0.00 54.91 53.78 1zgw h ALA 56 Cb 1.19 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 1zgw h ALA 56 CO 0.51 0.68 -0.67 0.54 0.00 0.00 0.00 179.25 180.32 1zgw s ASN 57 N -7.02 0.77 0.58 0.00 2.20 -1.26 -3.91 114.94 106.30 1zgw s ASN 57 Ca -0.10 -1.10 0.34 0.00 -0.94 0.00 0.00 52.86 51.06 1zgw s ASN 57 Cb 0.09 0.18 1.81 0.00 -2.00 0.00 0.00 41.25 41.34 1zgw s ASN 57 CO 0.90 -0.59 2.19 0.00 -2.94 0.00 0.00 177.10 176.65 1zgw h ALA 58 N 2.92 1.21 -0.15 3.54 0.00 -1.92 -1.95 119.26 122.92 1zgw h ALA 58 Ca -0.35 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 1zgw h ALA 58 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1zgw h ALA 58 CO 0.63 0.06 -0.64 1.03 0.00 0.00 0.00 179.25 180.33 1zgw h SER 59 N 0.00 0.62 -0.06 0.00 0.87 -1.96 0.76 113.55 113.79 1zgw h SER 59 Ca -0.00 -0.37 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1zgw h SER 59 Cb 0.19 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1zgw h SER 59 CO 0.01 1.10 0.03 -0.08 -0.53 0.00 0.00 176.83 177.36 1zgw h GLU 60 N 0.40 0.08 -0.59 2.24 4.57 -1.77 1.39 114.58 120.90 1zgw h GLU 60 Ca -0.01 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1zgw h GLU 60 Cb 1.21 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 1zgw h GLU 60 CO 0.12 0.15 0.38 0.00 -1.18 0.00 0.00 179.01 178.48 1zgw h ALA 61 N 0.92 0.75 0.00 2.92 0.00 -1.31 0.26 119.26 122.81 1zgw h ALA 61 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1zgw h ALA 61 Cb 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1zgw h ALA 61 CO -0.00 0.16 -0.08 -0.07 0.00 0.00 0.00 179.25 179.25 1zgw h LEU 62 N 0.78 0.00 0.00 0.00 3.38 0.14 0.40 115.31 120.00 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 40.68 1zgw h LEU 62 CO -0.06 0.08 -0.01 0.00 0.09 0.00 0.00 178.44 178.55 1zgw h ALA 63 N 1.92 0.99 0.00 1.53 0.00 0.52 -3.11 119.26 121.12 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 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1zgw h ALA 63 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1zgw n ALA 64 N -1.98 2.53 -1.69 0.00 0.00 0.13 -4.83 120.51 114.67 1zgw n ALA 64 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1zgw n ALA 64 Cb 0.49 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.73 0.83 3.81 0.00 0.00 -1.17 -5.07 105.19 104.32 1zgw n GLY 65 Ca 0.20 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.30 3.00 -0.33 1.61 0.40 -1.23 -5.01 117.98 114.13 1zgw s PHE 66 Ca 0.00 -0.18 -0.13 0.00 -0.60 0.00 0.00 56.93 56.02 1zgw s PHE 66 Cb 0.00 -1.50 -0.02 0.00 0.51 0.00 0.00 43.02 42.01 1zgw s PHE 66 CO 0.00 0.43 0.24 1.03 0.70 0.00 0.00 175.22 177.62 1zgw s ARG 67 N -3.87 3.61 0.64 0.44 0.52 0.19 -4.70 118.95 115.78 1zgw s ARG 67 Ca 0.35 -0.55 -0.18 0.00 -0.52 0.00 0.00 55.73 54.83 1zgw s ARG 67 Cb -0.07 -3.77 -0.01 0.00 0.52 0.00 0.00 34.95 31.61 1zgw s ARG 67 CO 0.25 -0.39 1.29 -1.25 0.02 0.00 0.00 175.30 175.22 1zgw s PRO 68 N 1.75 2.60 -0.29 3.54 0.04 -1.26 -3.82 135.00 137.55 1zgw s PRO 68 Ca 0.07 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1zgw s PRO 68 Cb -0.17 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1zgw s PRO 68 CO 0.11 -1.56 1.25 0.00 0.04 0.00 0.00 177.00 176.84 1zgw n LYS 70 N 7.14 0.00 -0.07 0.00 3.00 -1.26 0.41 118.16 127.37 1zgw n LYS 70 Ca 0.14 0.22 -0.09 0.00 -0.00 0.00 0.00 58.31 58.58 1zgw n LYS 70 Cb 0.46 -1.73 -0.07 0.00 0.00 0.00 0.00 35.03 33.69 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 -1.19 0.88 0.05 1.64 3.00 -1.26 -4.31 116.66 115.48 1zgw n ARG 71 Ca 0.00 0.06 0.12 0.00 -0.00 0.00 0.00 57.85 58.03 1zgw n ARG 71 Cb 0.23 -1.29 0.28 0.00 0.00 0.00 0.00 32.46 31.67 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 0.10 -0.86 0.00 5.75 -0.28 -3.28 115.11 116.54 1zgw h GLN 73 Ca 0.00 -0.17 -0.13 0.00 -0.15 0.00 0.00 58.65 58.20 1zgw h GLN 73 Cb 0.68 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.21 1zgw h GLN 73 CO 0.00 1.08 0.17 -0.35 -2.65 0.00 0.00 178.83 177.08 1zgw n PRO 74 N -4.32 2.63 -1.51 -2.39 -0.04 -1.25 -4.94 135.00 123.17 1zgw n PRO 74 Ca -0.21 -1.82 -0.30 0.00 -0.04 0.00 0.00 63.50 61.13 1zgw n PRO 74 Cb 0.69 -1.84 0.22 0.00 -0.04 0.00 0.00 33.50 32.53 1zgw n PRO 74 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1zgw s ASP 75 N -0.41 1.90 -0.78 3.54 -4.77 -0.93 -5.01 116.67 110.22 1zgw s ASP 75 Ca 0.33 0.41 0.03 0.00 -3.30 0.00 0.00 52.55 50.01 1zgw s ASP 75 Cb 0.26 -0.51 0.24 0.00 -1.09 0.00 0.00 42.92 41.82 1zgw s ASP 75 CO 0.08 -3.50 0.82 0.29 0.70 0.00 0.00 175.17 173.56 1zgw n LYS 76 N -4.30 2.72 0.00 2.11 4.01 -1.26 -4.82 118.16 116.61 1zgw n LYS 76 Ca 0.15 -4.58 0.00 0.00 -0.51 0.00 0.00 58.31 53.36 1zgw n LYS 76 Cb 0.59 -2.34 0.00 0.00 -0.51 0.00 0.00 35.03 32.78 1zgw n LYS 76 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1zgw n ALA 77 N 1.44 0.00 0.20 7.82 0.00 -1.26 -4.10 120.51 124.61 1zgw n ALA 77 Ca 0.26 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.76 1zgw n ALA 77 Cb 0.38 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.40 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 0.09 0.10 0.00 -0.26 1.17 1.54 115.58 118.22 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 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1zgw h ASN 78 CO 0.00 0.10 0.00 1.55 -1.06 0.00 0.00 177.43 178.02 1zgw h PRO 79 N 0.11 0.00 0.04 0.81 0.13 -1.87 -2.78 132.00 128.42 1zgw h PRO 79 Ca 0.03 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.17 1zgw h PRO 79 Cb 0.05 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.14 1zgw h PRO 79 CO -0.00 0.00 -0.39 -0.09 -0.23 0.00 0.00 178.00 177.29 1zgw h ARG 80 N 0.00 -0.49 -0.98 0.86 1.12 0.21 -0.01 114.38 115.08 1zgw h ARG 80 Ca 0.00 0.03 0.25 0.00 -1.11 0.00 0.00 59.98 59.15 1zgw h ARG 80 Cb 0.05 0.11 -0.07 0.00 -0.01 0.00 0.00 29.97 30.05 1zgw h ARG 80 CO 0.00 -0.33 0.65 1.96 -3.11 0.00 0.00 179.97 179.14 1zgw h GLN 81 N -0.51 0.33 -0.22 0.20 7.50 -1.62 -0.56 115.11 120.23 1zgw h GLN 81 Ca 0.00 -0.02 -0.08 0.00 0.50 0.00 0.00 58.65 59.05 1zgw h GLN 81 Cb 0.54 -0.07 -0.00 0.00 0.05 0.00 0.00 27.48 27.99 1zgw h GLN 81 CO -0.24 0.22 -0.18 1.25 -1.50 0.00 0.00 178.83 178.38 1zgw h HIS 82 N 0.34 0.60 0.00 2.96 -0.00 -1.22 -0.44 115.15 117.38 1zgw h HIS 82 Ca 0.53 -0.17 -0.06 0.00 -0.00 0.00 0.00 60.37 60.67 1zgw h HIS 82 Cb 1.45 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.72 1zgw h HIS 82 CO -0.00 0.83 -0.27 -0.09 -0.00 0.00 0.00 177.93 178.39 1zgw h ARG 83 N 0.19 0.00 0.00 5.26 9.65 0.31 -1.70 114.38 128.09 1zgw h ARG 83 Ca 0.04 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.73 1zgw h ARG 83 Cb 0.71 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.27 1zgw h ARG 83 CO 0.05 0.27 -0.89 1.25 2.80 0.00 0.00 179.97 183.45 1zgw h LEU 84 N 0.00 0.00 -1.08 3.80 5.85 -0.96 -2.83 115.31 120.09 1zgw h LEU 84 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1zgw h LEU 84 Cb 0.59 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1zgw h LEU 84 CO 0.04 0.89 0.32 0.44 -0.34 0.00 0.00 178.44 179.78 1zgw h ASP 85 N 0.00 0.87 -0.00 1.25 5.19 -0.17 -2.09 116.42 121.46 1zgw h ASP 85 Ca -0.01 -0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.32 1zgw h ASP 85 Cb 1.58 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.85 1zgw h ASP 85 CO 0.12 0.74 -0.09 0.50 -3.12 0.00 0.00 179.24 177.39 1zgw h LYS 86 N 0.96 -0.14 -0.67 3.56 3.11 -1.20 -2.40 116.57 119.78 1zgw h LYS 86 Ca 0.23 0.01 0.12 0.00 -2.81 0.00 0.00 60.65 58.20 1zgw h LYS 86 Cb 0.11 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.29 1zgw h LYS 86 CO -0.03 -0.10 0.24 0.82 -2.81 0.00 0.00 179.45 177.58 1zgw h ILE 87 N -0.15 0.70 -0.71 2.00 1.08 -1.19 0.72 117.51 119.96 1zgw h ILE 87 Ca 0.04 -0.14 0.14 0.00 -0.39 0.00 0.00 64.86 64.51 1zgw h ILE 87 Cb 0.19 0.26 -0.10 0.00 -3.07 0.00 0.00 36.82 34.11 1zgw h ILE 87 CO -0.09 0.07 0.22 0.74 -0.69 0.00 0.00 178.15 178.40 1zgw h THR 88 N 0.40 0.61 -0.98 -0.27 2.02 -0.94 1.25 112.91 115.01 1zgw h THR 88 Ca 0.36 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.52 1zgw h THR 88 Cb 0.50 0.24 -0.08 0.00 -1.74 0.00 0.00 68.15 67.07 1zgw h THR 88 CO -0.37 0.06 0.62 -0.74 0.37 0.00 0.00 175.52 175.47 1zgw h HIS 89 N 0.34 1.11 -0.90 3.16 -0.00 -0.56 0.57 115.15 118.87 1zgw h HIS 89 Ca 0.39 0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.91 1zgw h HIS 89 Cb 0.61 -0.36 -0.07 0.00 -0.00 0.00 0.00 27.41 27.59 1zgw h HIS 89 CO -0.21 0.49 0.58 0.00 -0.00 0.00 0.00 177.93 178.78 1zgw h ALA 90 N 1.52 1.71 -0.09 5.26 0.00 0.23 0.44 119.26 128.33 1zgw h ALA 90 Ca 0.46 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1zgw h ALA 90 Cb 0.40 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1zgw h ALA 90 CO -0.22 0.08 0.04 0.00 0.00 0.00 0.00 179.25 179.15 1zgw h ARG 92 N 0.02 -0.08 -0.93 0.00 9.65 -0.27 -0.10 114.38 122.68 1zgw h ARG 92 Ca 0.03 0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.00 1zgw h ARG 92 Cb 0.12 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.66 1zgw h ARG 92 CO -0.00 -0.05 0.60 -0.07 2.80 0.00 0.00 179.97 183.25 1zgw h LEU 93 N -0.08 0.90 -0.04 3.80 -0.00 -0.91 2.79 115.31 121.76 1zgw h LEU 93 Ca 0.18 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 1zgw h LEU 93 Cb 0.35 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1zgw h LEU 93 CO -0.41 0.54 0.00 0.18 -0.00 0.00 0.00 178.44 178.75 1zgw n LEU 94 N -4.52 0.04 0.00 1.67 4.32 -0.11 -2.42 117.00 115.98 1zgw n LEU 94 Ca 0.15 0.51 0.00 0.00 -0.02 0.00 0.00 56.01 56.65 1zgw n LEU 94 Cb 0.26 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.56 1zgw n LEU 94 CO 0.31 -0.29 0.08 1.21 -1.22 0.00 0.00 177.39 177.48 1zgw n GLU 95 N -1.54 1.14 -0.07 3.23 4.07 0.14 -4.78 120.64 122.82 1zgw n GLU 95 Ca 0.03 -0.15 -0.12 0.00 -0.06 0.00 0.00 57.16 56.86 1zgw n GLU 95 Cb 0.16 -0.56 -0.09 0.00 -0.06 0.00 0.00 31.44 30.89 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 4.15 0.52 -3.47 115.11 121.62 1zgw h GLN 96 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1zgw h GLN 96 Cb 0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.83 1zgw h GLN 96 CO 0.00 0.74 0.00 -0.85 -1.93 0.00 0.00 178.83 176.79 1zgw n GLU 97 N -4.61 2.39 0.00 1.69 0.00 -1.15 -5.05 120.64 113.90 1zgw n GLU 97 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.04 1zgw n GLU 97 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.85 1zgw n GLU 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1zgw n THR 98 N 0.00 0.00 -2.05 3.84 -1.04 -1.26 -4.94 114.28 108.83 1zgw n THR 98 Ca 0.00 0.41 -0.41 0.00 -2.04 0.00 0.00 64.05 62.02 1zgw n THR 98 Cb 0.00 -1.41 -0.02 0.00 -1.82 0.00 0.00 70.33 67.08 1zgw n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1zgw s PRO 99 N -1.00 4.30 0.15 -2.82 0.04 -1.26 -4.95 135.00 129.47 1zgw s PRO 99 Ca 0.00 2.29 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 1zgw s PRO 99 Cb 0.00 -3.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.42 1zgw s PRO 99 CO 0.00 -0.26 1.01 0.08 0.04 0.00 0.00 177.00 177.86 1zgw s VAL 100 N -1.13 4.23 -0.22 -0.36 1.01 -1.26 -4.97 120.40 117.69 1zgw s VAL 100 Ca 0.50 1.92 -0.04 0.00 0.00 0.00 0.00 61.98 64.35 1zgw s VAL 100 Cb -0.41 -4.22 0.11 0.00 0.00 0.00 0.00 36.38 31.86 1zgw s VAL 100 CO 0.55 0.33 0.39 0.42 0.00 0.00 0.00 175.10 176.79 1zgw s THR 101 N -0.24 -0.62 -0.40 3.92 -4.23 -1.26 -4.92 115.64 107.90 1zgw s THR 101 Ca 0.47 0.04 0.05 0.00 -1.18 0.00 0.00 61.69 61.06 1zgw s THR 101 Cb -0.26 -0.74 0.13 0.00 1.34 0.00 0.00 72.50 72.97 1zgw s THR 101 CO 0.32 -0.04 1.11 0.00 -0.54 0.00 0.00 174.62 175.47 1zgw n LEU 102 N 5.37 2.40 -0.34 4.79 -0.00 -1.26 -4.72 117.00 123.25 1zgw n LEU 102 Ca -0.05 -2.00 0.17 0.00 -0.00 0.00 0.00 56.01 54.12 1zgw n LEU 102 Cb 0.50 -0.10 0.33 0.00 -0.00 0.00 0.00 43.42 44.15 1zgw n LEU 102 CO 0.04 0.60 0.84 -0.08 -0.00 0.00 0.00 177.39 178.79 1zgw h GLU 103 N 0.87 0.02 -0.56 1.47 4.22 -1.98 1.54 114.58 120.16 1zgw h GLU 103 Ca 0.00 -0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 1zgw h GLU 103 Cb 0.60 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1zgw h GLU 103 CO 0.00 0.01 0.15 0.00 -2.18 0.00 0.00 179.01 177.00 1zgw h ALA 104 N 1.97 0.74 -0.02 2.92 0.00 -1.99 0.27 119.26 123.15 1zgw h ALA 104 Ca 0.63 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 1zgw h ALA 104 Cb 1.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1zgw h ALA 104 CO -0.89 0.43 -0.47 1.25 0.00 0.00 0.00 179.25 179.57 1zgw h LEU 105 N 0.80 0.05 -0.18 0.00 5.85 0.13 -1.30 115.31 120.66 1zgw h LEU 105 Ca 0.18 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 1zgw h LEU 105 Cb 0.32 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1zgw h LEU 105 CO -0.00 0.51 -0.39 0.00 -0.34 0.00 0.00 178.44 178.21 1zgw h ALA 106 N 1.50 0.29 -0.15 1.25 0.00 0.16 -1.82 119.26 120.49 1zgw h ALA 106 Ca -0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1zgw h ALA 106 Cb 0.84 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1zgw h ALA 106 CO 0.06 0.39 -0.12 -0.44 0.00 0.00 0.00 179.25 179.14 1zgw h ASP 107 N 0.25 0.22 0.15 0.00 5.19 -0.31 0.14 116.42 122.05 1zgw h ASP 107 Ca 0.00 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1zgw h ASP 107 Cb 0.99 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.45 1zgw h ASP 107 CO 0.09 0.37 -0.07 -0.61 -3.12 0.00 0.00 179.24 175.90 1zgw h GLN 108 N 0.23 -0.19 0.00 3.56 5.75 -1.06 -3.08 115.11 120.31 1zgw h GLN 108 Ca 0.05 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1zgw h GLN 108 Cb 0.35 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1zgw h GLN 108 CO 0.02 0.24 0.00 0.28 -2.65 0.00 0.00 178.83 176.72 1zgw h VAL 109 N -0.71 0.00 -0.04 2.39 2.07 -1.20 -3.46 116.25 115.30 1zgw h VAL 109 Ca -0.02 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1zgw h VAL 109 Cb 0.51 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1zgw h VAL 109 CO 0.03 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.62 1zgw n ALA 110 N -1.90 -0.01 -2.24 1.67 0.00 0.35 -5.05 120.51 113.32 1zgw n ALA 110 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1zgw n ALA 110 Cb 0.26 -0.52 -0.09 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.94 1.43 0.96 0.00 0.23 -0.45 -5.01 119.30 112.52 1zgw s MET 111 Ca 0.00 -1.79 -0.13 0.00 -1.03 0.00 0.00 55.69 52.74 1zgw s MET 111 Cb 0.00 0.29 0.17 0.00 -1.53 0.00 0.00 34.83 33.76 1zgw s MET 111 CO 0.00 -0.50 1.13 -1.12 -2.03 0.00 0.00 175.02 172.50 1zgw s SER 112 N -3.25 3.05 0.26 -1.18 0.01 -1.26 -4.27 113.70 107.07 1zgw s SER 112 Ca 0.40 0.99 -0.03 0.00 1.31 0.00 0.00 55.95 58.61 1zgw s SER 112 Cb 0.05 -1.56 0.34 0.00 0.21 0.00 0.00 66.02 65.06 1zgw s SER 112 CO 0.18 -2.84 1.83 1.55 0.41 0.00 0.00 173.24 174.37 1zgw h PRO 113 N -1.70 0.97 -0.35 12.44 0.13 -1.94 -0.54 132.00 141.01 1zgw h PRO 113 Ca -0.52 -0.17 -0.15 0.00 -0.87 0.00 0.00 66.00 64.30 1zgw h PRO 113 Cb 1.33 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1zgw h PRO 113 CO 0.59 0.81 -0.37 0.74 -0.23 0.00 0.00 178.00 179.54 1zgw h PHE 114 N 0.95 0.98 0.00 1.56 -1.00 -2.00 -2.33 116.94 115.09 1zgw h PHE 114 Ca 0.22 -0.28 -0.04 0.00 2.81 0.00 0.00 57.97 60.68 1zgw h PHE 114 Cb 0.21 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1zgw h PHE 114 CO 0.02 1.06 -0.20 1.25 -1.61 0.00 0.00 178.31 178.83 1zgw h HIS 115 N 0.68 0.00 -0.63 -0.55 2.76 -1.77 -1.59 115.15 114.05 1zgw h HIS 115 Ca 0.06 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 1zgw h HIS 115 Cb 0.93 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.86 1zgw h HIS 115 CO 0.05 0.20 0.10 1.25 -1.30 0.00 0.00 177.93 178.23 1zgw h LEU 116 N 0.00 1.01 -0.83 0.26 7.12 -0.68 0.30 115.31 122.49 1zgw h LEU 116 Ca -0.00 -0.26 -0.01 0.00 0.13 0.00 0.00 57.88 57.74 1zgw h LEU 116 Cb 0.69 -0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 40.51 1zgw h LEU 116 CO 0.03 1.01 0.48 0.45 -0.13 0.00 0.00 178.44 180.28 1zgw h HIS 117 N 0.96 1.11 -0.85 1.25 3.86 -0.88 0.25 115.15 120.85 1zgw h HIS 117 Ca 0.19 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.45 1zgw h HIS 117 Cb 0.44 -0.36 -0.05 0.00 1.06 0.00 0.00 27.41 28.49 1zgw h HIS 117 CO 0.03 0.75 0.56 0.00 0.86 0.00 0.00 177.93 180.13 1zgw h ARG 118 N 1.14 0.92 -0.12 2.45 2.47 -0.28 -1.42 114.38 119.55 1zgw h ARG 118 Ca 0.29 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.94 1zgw h ARG 118 Cb -0.01 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.09 1zgw h ARG 118 CO -0.05 0.61 -0.01 1.25 0.56 0.00 0.00 179.97 182.33 1zgw h LEU 119 N 0.95 0.22 -1.00 3.04 7.12 0.48 0.01 115.31 126.12 1zgw h LEU 119 Ca 0.37 -0.33 0.22 0.00 0.13 0.00 0.00 57.88 58.27 1zgw h LEU 119 Cb 0.21 -0.06 -0.12 0.00 -0.53 0.00 0.00 40.66 40.17 1zgw h LEU 119 CO -0.13 0.49 0.60 0.15 -0.13 0.00 0.00 178.44 179.42 1zgw h PHE 120 N -0.06 1.04 -0.10 1.25 3.04 -0.13 0.21 116.94 122.18 1zgw h PHE 120 Ca 0.03 0.04 -0.24 0.00 3.98 0.00 0.00 57.97 61.78 1zgw h PHE 120 Cb 0.39 -0.30 0.01 0.00 2.56 0.00 0.00 35.95 38.61 1zgw h PHE 120 CO 0.04 0.15 -0.86 -0.22 -2.02 0.00 0.00 178.31 175.39 1zgw h LYS 121 N 0.67 0.76 0.39 1.11 3.64 -1.01 -0.70 116.57 121.42 1zgw h LYS 121 Ca 0.61 -0.68 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1zgw h LYS 121 Cb 1.06 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1zgw h LYS 121 CO -0.43 1.27 -0.20 0.00 -2.27 0.00 0.00 179.45 177.82 1zgw h ALA 122 N 0.52 -0.54 0.56 5.00 0.00 0.12 1.45 119.26 126.37 1zgw h ALA 122 Ca -0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1zgw h ALA 122 Cb 1.50 0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.52 1zgw h ALA 122 CO 0.17 -0.81 -0.27 1.15 0.00 0.00 0.00 179.25 179.50 1zgw h THR 123 N -0.54 0.00 -0.93 0.00 2.02 -0.80 -2.96 112.91 109.71 1zgw h THR 123 Ca -0.05 -0.42 0.24 0.00 0.77 0.00 0.00 66.41 66.96 1zgw h THR 123 Cb 0.42 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.78 1zgw h THR 123 CO 0.08 0.00 0.64 0.00 0.37 0.00 0.00 175.52 176.60 1zgw h THR 124 N -1.16 0.59 0.00 3.16 1.03 -1.18 -3.46 112.91 111.89 1zgw h THR 124 Ca -0.08 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1zgw h THR 124 Cb 0.57 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 68.01 1zgw h THR 124 CO 0.13 0.04 0.00 0.61 -0.01 0.00 0.00 175.52 176.29 1zgw n GLY 125 N -1.60 3.09 2.69 2.99 0.00 0.49 -4.91 105.19 107.95 1zgw n GLY 125 Ca 0.20 -1.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 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 1.23 -2.98 1.61 0.00 -0.91 -4.65 117.12 111.42 1zgw n MET 126 Ca 0.00 -1.84 0.03 0.00 0.00 0.00 0.00 57.70 55.89 1zgw n MET 126 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 33.22 33.15 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 -0.09 -0.43 0.00 2.03 2.01 -1.26 -4.97 115.64 112.92 1zgw s THR 127 Ca 0.20 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1zgw s THR 127 Cb 0.41 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.78 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 4.31 0.00 0.32 4.92 -0.04 -1.26 -2.69 135.00 140.57 1zgw n PRO 128 Ca 0.07 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.73 1zgw n PRO 128 Cb 0.60 0.00 1.10 0.00 -0.04 0.00 0.00 33.50 35.16 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 -0.28 0.54 1.63 -1.94 -1.82 116.57 114.70 1zgw h LYS 129 Ca 0.00 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.71 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 -0.17 0.00 -3.45 0.00 0.00 179.45 175.83 1zgw h ALA 130 N 1.97 0.40 0.00 5.00 0.00 -1.95 -1.73 119.26 122.95 1zgw h ALA 130 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1zgw h ALA 130 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1zgw h ALA 130 CO -0.00 0.31 -0.19 2.35 0.00 0.00 0.00 179.25 181.72 1zgw h TRP 131 N 0.35 0.00 -0.49 0.00 2.91 -1.11 0.20 115.95 117.81 1zgw h TRP 131 Ca 0.06 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 1zgw h TRP 131 Cb 0.70 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.33 1zgw h TRP 131 CO 0.06 0.19 0.20 0.37 -1.03 0.00 0.00 178.44 178.24 1zgw h GLN 132 N 0.00 0.73 -0.24 2.65 -0.00 -1.24 -1.25 115.11 115.76 1zgw h GLN 132 Ca -0.00 -0.13 -0.03 0.00 -0.00 0.00 0.00 58.65 58.48 1zgw h GLN 132 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.74 1zgw h GLN 132 CO 0.03 0.65 0.02 0.37 0.00 0.00 0.00 178.83 179.89 1zgw h GLN 133 N 0.65 0.42 0.31 1.69 5.75 -0.35 -2.08 115.11 121.50 1zgw h GLN 133 Ca 0.16 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1zgw h GLN 133 Cb 0.18 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 1zgw h GLN 133 CO -0.01 0.58 -0.45 0.00 -2.65 0.00 0.00 178.83 176.29 1zgw h ALA 134 N 0.82 -0.92 -0.75 3.38 0.00 -0.76 0.31 119.26 121.35 1zgw h ALA 134 Ca 0.07 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.02 1zgw h ALA 134 Cb 0.38 0.69 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 1zgw h ALA 134 CO 0.01 -1.07 -0.05 -1.49 0.00 0.00 0.00 179.25 176.65 1zgw h TRP 135 N -0.81 -0.15 -0.14 0.00 -0.00 -1.23 0.59 115.95 114.21 1zgw h TRP 135 Ca -0.02 0.06 -0.02 0.00 -0.00 0.00 0.00 58.89 58.91 1zgw h TRP 135 Cb 0.76 0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 30.09 1zgw h TRP 135 CO -0.30 -0.26 -0.01 -0.09 -0.00 0.00 0.00 178.44 177.78 1zgw h ARG 136 N 0.07 0.19 0.00 0.49 2.43 -0.49 1.15 114.38 118.22 1zgw h ARG 136 Ca 0.39 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.35 1zgw h ARG 136 Cb 0.67 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1zgw h ARG 136 CO -0.69 0.22 -0.88 0.00 -1.51 0.00 0.00 179.97 177.11 1zgw h ALA 137 N 1.80 0.54 0.00 2.80 0.00 0.39 -3.29 119.26 121.49 1zgw h ALA 137 Ca 0.05 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1zgw h ALA 137 Cb 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1zgw h ALA 137 CO 0.00 1.10 -2.00 -2.13 0.00 0.00 0.00 179.25 176.22 1zgw n ARG 138 N -3.48 0.65 0.00 0.00 0.63 -0.29 -5.09 116.66 109.09 1zgw n ARG 138 Ca -0.00 -0.19 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 1zgw n ARG 138 Cb 0.84 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 32.24 1zgw n ARG 138 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99