#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 -3.93 2.12 4.81 -1.26 -5.14 118.16 114.76 1zgw n LYS 2 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 1zgw n LYS 2 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1zgw n LYS 2 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1zgw s LYS 3 N -0.91 3.39 0.00 1.64 3.01 -1.26 -4.96 119.74 120.65 1zgw s LYS 3 Ca 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 55.97 54.50 1zgw s LYS 3 Cb 0.00 -3.01 0.00 0.00 -1.01 0.00 0.00 37.83 33.81 1zgw s LYS 3 CO 0.00 0.61 0.00 0.00 0.51 0.00 0.00 175.35 176.47 1zgw n ALA 4 N 0.32 0.00 -0.28 5.17 0.00 -1.26 -4.83 120.51 119.63 1zgw n ALA 4 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1zgw n ALA 4 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 1.05 -2.02 0.00 -2.24 -1.26 -4.41 114.28 105.41 1zgw n THR 5 Ca 0.00 -0.32 -0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1zgw n THR 5 Cb 0.00 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 66.91 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 -1.10 -0.58 -3.48 0.00 -0.00 -1.26 -5.02 117.00 105.57 1zgw n LEU 7 Ca -0.01 -1.85 -0.40 0.00 -0.00 0.00 0.00 56.01 53.75 1zgw n LEU 7 Cb 0.50 0.63 -0.02 0.00 -0.00 0.00 0.00 43.42 44.53 1zgw n LEU 7 CO 0.02 1.28 3.10 0.41 -0.00 0.00 0.00 177.39 182.19 1zgw n THR 8 N -0.60 3.92 -0.50 1.96 -1.04 -1.26 -4.65 114.28 112.11 1zgw n THR 8 Ca -0.07 -2.72 0.42 0.00 -2.04 0.00 0.00 64.05 59.64 1zgw n THR 8 Cb 0.65 -2.60 0.75 0.00 -1.82 0.00 0.00 70.33 67.30 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 5.45 0.07 -0.01 8.00 3.04 -1.97 1.05 116.42 132.05 1zgw h ASP 9 Ca 0.75 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 54.56 1zgw h ASP 9 Cb 0.42 0.02 -0.00 0.00 -1.04 0.00 0.00 39.33 38.74 1zgw h ASP 9 CO 1.83 -0.03 0.01 0.44 -2.04 0.00 0.00 179.24 179.45 1zgw h ASP 10 N 0.04 0.01 1.24 4.15 3.32 -2.00 0.12 116.42 123.30 1zgw h ASP 10 Ca 0.76 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.66 1zgw h ASP 10 Cb 2.89 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 42.42 1zgw h ASP 10 CO -0.09 0.02 -0.67 -0.61 -1.72 0.00 0.00 179.24 176.17 1zgw h GLN 11 N 0.00 0.00 -0.83 3.56 5.75 0.50 -2.32 115.11 121.77 1zgw h GLN 11 Ca 0.00 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.62 1zgw h GLN 11 Cb 0.01 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.48 1zgw h GLN 11 CO -0.00 0.67 0.45 0.00 -2.65 0.00 0.00 178.83 177.30 1zgw h ARG 12 N 0.00 0.69 -0.80 1.69 2.47 0.40 1.61 114.38 120.44 1zgw h ARG 12 Ca -0.01 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 1zgw h ARG 12 Cb 1.47 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 29.60 1zgw h ARG 12 CO 0.09 0.45 0.39 2.35 0.56 0.00 0.00 179.97 183.81 1zgw h TRP 13 N 0.71 1.15 -0.00 3.04 -0.00 -0.49 0.88 115.95 121.23 1zgw h TRP 13 Ca 0.42 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.89 59.23 1zgw h TRP 13 Cb 0.48 -0.36 -0.00 0.00 -0.00 0.00 0.00 29.16 29.28 1zgw h TRP 13 CO -0.08 0.84 -0.13 0.37 -0.00 0.00 0.00 178.44 179.44 1zgw h GLN 14 N 1.13 0.01 -0.02 2.65 4.15 0.16 0.35 115.11 123.55 1zgw h GLN 14 Ca 0.27 -0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.53 1zgw h GLN 14 Cb 0.12 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1zgw h GLN 14 CO -0.03 0.13 -0.72 0.77 -1.93 0.00 0.00 178.83 177.05 1zgw h SER 15 N 0.01 0.13 0.35 -0.69 0.02 0.50 0.42 113.55 114.29 1zgw h SER 15 Ca 0.00 -0.09 -0.20 0.00 -0.84 0.00 0.00 61.79 60.67 1zgw h SER 15 Cb 0.23 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1zgw h SER 15 CO 0.02 0.80 -0.81 0.58 -1.14 0.00 0.00 176.83 176.28 1zgw h VAL 16 N 0.07 1.41 0.02 2.27 2.07 0.37 0.02 116.25 122.48 1zgw h VAL 16 Ca -0.02 -2.31 -0.30 0.00 0.82 0.00 0.00 66.70 64.89 1zgw h VAL 16 Cb 1.28 2.26 -0.04 0.00 -1.52 0.00 0.00 31.29 33.27 1zgw h VAL 16 CO 0.10 0.69 -1.69 -0.07 0.02 0.00 0.00 177.57 176.62 1zgw h LEU 17 N 0.22 0.07 0.00 2.57 3.38 -0.43 -3.32 115.31 117.80 1zgw h LEU 17 Ca -0.05 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1zgw h LEU 17 Cb 1.41 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1zgw h LEU 17 CO 0.14 1.12 -0.00 0.00 0.09 0.00 0.00 178.44 179.78 1zgw h ALA 18 N 0.87 1.00 -4.16 1.53 0.00 -0.17 -3.47 119.26 114.86 1zgw h ALA 18 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 1zgw h ALA 18 Cb 2.00 0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.88 1zgw h ALA 18 CO 0.09 0.00 -0.45 0.54 0.00 0.00 0.00 179.25 179.43 1zgw n ARG 19 N -2.41 -4.98 -2.10 0.00 1.74 -0.11 -4.91 116.66 103.88 1zgw n ARG 19 Ca 0.05 0.54 -0.43 0.00 -0.77 0.00 0.00 57.85 57.24 1zgw n ARG 19 Cb 0.45 -4.67 -0.03 0.00 -1.02 0.00 0.00 32.46 27.19 1zgw n ARG 19 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1zgw s ASP 20 N -3.33 6.00 0.00 0.55 2.15 -0.56 -4.71 116.67 116.77 1zgw s ASP 20 Ca 0.31 1.13 0.06 0.00 0.43 0.00 0.00 52.55 54.48 1zgw s ASP 20 Cb -0.14 -2.53 0.35 0.00 -0.30 0.00 0.00 42.92 40.30 1zgw s ASP 20 CO 0.47 -1.65 0.81 -0.81 -0.17 0.00 0.00 175.17 173.81 1zgw n PRO 21 N 8.36 0.48 -0.00 4.34 -0.04 -1.26 -1.51 135.00 145.37 1zgw n PRO 21 Ca 0.21 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 1zgw n PRO 21 Cb 0.47 -1.19 -0.10 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 0.82 -0.19 3.54 5.15 -1.26 -4.15 115.26 118.48 1zgw n ASN 22 Ca 0.04 -0.79 0.05 0.00 -0.60 0.00 0.00 54.58 53.29 1zgw n ASN 22 Cb 0.02 1.09 -0.02 0.00 -0.53 0.00 0.00 39.78 40.35 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 -1.48 3.01 -2.56 5.20 0.00 -0.57 -4.78 120.51 119.35 1zgw n ALA 23 Ca 0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1zgw n ALA 23 Cb 0.28 -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 -1.59 7.20 0.00 0.00 2.15 -1.11 -2.14 116.67 121.18 1zgw s ASP 24 Ca 0.08 1.82 0.00 0.00 0.43 0.00 0.00 52.55 54.88 1zgw s ASP 24 Cb 0.09 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1zgw s ASP 24 CO 0.32 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.52 1zgw n GLY 25 N 3.11 2.97 0.12 2.66 0.00 -1.26 0.61 105.19 113.39 1zgw n GLY 25 Ca 0.08 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 0.31 -3.75 1.61 4.81 -1.66 -3.45 114.58 112.45 1zgw h GLU 26 Ca 0.00 -0.33 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 1zgw h GLU 26 Cb 0.00 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.38 1zgw h GLU 26 CO 0.00 1.03 -0.16 -0.59 -0.73 0.00 0.00 179.01 178.55 1zgw s PHE 27 N -3.17 0.46 0.41 0.92 -0.71 -0.99 -4.33 117.98 110.57 1zgw s PHE 27 Ca -0.14 -0.81 0.03 0.00 -1.04 0.00 0.00 56.93 54.97 1zgw s PHE 27 Cb 0.02 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 1zgw s PHE 27 CO 0.79 -0.97 0.08 0.14 -1.34 0.00 0.00 175.22 173.91 1zgw s VAL 28 N -3.97 0.93 -0.05 -2.49 -7.23 -0.33 -4.18 120.40 103.08 1zgw s VAL 28 Ca 0.24 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.39 1zgw s VAL 28 Cb 0.00 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.52 1zgw s VAL 28 CO 0.10 0.00 0.04 0.72 -0.31 0.00 0.00 175.10 175.65 1zgw s PHE 29 N -3.13 0.29 -0.38 2.82 -0.12 -1.25 -1.51 117.98 114.71 1zgw s PHE 29 Ca 0.23 0.09 -0.16 0.00 -0.05 0.00 0.00 56.93 57.04 1zgw s PHE 29 Cb 0.04 -0.61 0.00 0.00 -0.63 0.00 0.00 43.02 41.83 1zgw s PHE 29 CO 0.12 -0.25 0.37 0.00 -0.05 0.00 0.00 175.22 175.42 1zgw s ALA 30 N 2.09 3.47 -0.62 1.99 0.00 0.79 -3.99 121.76 125.48 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 -2.90 0.06 0.00 0.00 0.00 0.00 23.12 20.16 1zgw s ALA 30 CO -0.04 -1.29 0.96 0.08 0.00 0.00 0.00 175.76 175.47 1zgw s VAL 31 N 2.00 4.33 0.47 0.00 1.01 0.42 -1.37 120.40 127.27 1zgw s VAL 31 Ca 0.11 -0.14 0.41 0.00 0.00 0.00 0.00 61.98 62.36 1zgw s VAL 31 Cb -0.17 -4.64 0.43 0.00 0.00 0.00 0.00 36.38 32.00 1zgw s VAL 31 CO 0.12 -1.35 2.24 0.03 0.00 0.00 0.00 175.10 176.14 1zgw h ARG 32 N 9.49 0.00 -0.16 2.72 3.08 0.11 0.12 114.38 129.74 1zgw h ARG 32 Ca -0.28 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 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 1.15 0.00 -0.22 0.00 -1.07 0.00 0.00 179.97 179.83 1zgw h THR 33 N 0.00 1.23 -0.06 2.04 1.03 -1.89 -3.03 112.91 112.23 1zgw h THR 33 Ca -0.00 -1.05 0.00 0.00 -0.01 0.00 0.00 66.41 65.35 1zgw h THR 33 Cb 0.18 1.35 0.00 0.00 -1.07 0.00 0.00 68.15 68.61 1zgw h THR 33 CO 0.00 0.32 0.00 1.07 -0.01 0.00 0.00 175.52 176.90 1zgw n THR 34 N -4.18 0.52 -2.85 0.00 5.66 -0.65 -4.98 114.28 107.79 1zgw n THR 34 Ca -0.01 -0.76 -0.22 0.00 -3.05 0.00 0.00 64.05 60.01 1zgw n THR 34 Cb 0.34 0.77 0.02 0.00 -1.55 0.00 0.00 70.33 69.92 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 -0.01 -0.52 3.45 1.09 0.00 0.32 -4.88 105.19 104.65 1zgw n GLY 35 Ca 0.03 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 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 1.85 0.02 -0.61 1.01 -0.88 -0.11 121.20 119.35 1zgw s ILE 36 Ca 0.22 -2.17 -0.10 0.00 0.00 0.00 0.00 60.65 58.60 1zgw s ILE 36 Cb -0.10 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.92 1zgw s ILE 36 CO 0.27 -0.30 0.21 0.72 0.00 0.00 0.00 174.94 175.84 1zgw s PHE 37 N -2.88 0.00 0.53 3.97 -0.12 -1.25 0.16 117.98 118.40 1zgw s PHE 37 Ca 0.30 -0.13 0.05 0.00 -0.05 0.00 0.00 56.93 57.09 1zgw s PHE 37 Cb 0.03 -0.00 0.03 0.00 -0.63 0.00 0.00 43.02 42.44 1zgw s PHE 37 CO 0.13 -0.39 0.33 1.03 -0.05 0.00 0.00 175.22 176.27 1zgw s ARG 39 N -2.07 2.25 0.26 1.99 0.52 -1.26 -3.79 118.95 116.84 1zgw s ARG 39 Ca -0.09 -2.06 0.22 0.00 -0.52 0.00 0.00 55.73 53.28 1zgw s ARG 39 Cb -0.03 -2.01 0.99 0.00 0.52 0.00 0.00 34.95 34.41 1zgw s ARG 39 CO -0.01 -0.55 1.68 -0.35 0.02 0.00 0.00 175.30 176.08 1zgw n PRO 40 N -1.67 0.17 -0.83 3.54 -0.04 -1.26 -3.05 135.00 131.86 1zgw n PRO 40 Ca -0.04 0.47 -0.03 0.00 -0.04 0.00 0.00 63.50 63.86 1zgw n PRO 40 Cb 0.65 -1.87 0.19 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.20 2.43 -4.69 3.54 3.41 -1.26 -2.65 113.62 112.20 1zgw n SER 41 Ca 0.01 -3.83 -0.44 0.00 -0.26 0.00 0.00 58.87 54.35 1zgw n SER 41 Cb 0.18 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.52 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 2.23 -0.08 0.00 1.85 -1.26 -4.62 116.66 116.32 1zgw n ARG 43 Ca 0.09 -1.95 -0.15 0.00 -1.00 0.00 0.00 57.85 54.83 1zgw n ARG 43 Cb 0.34 -1.45 -0.11 0.00 -1.05 0.00 0.00 32.46 30.18 1zgw n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1zgw h ALA 44 N 4.42 0.08 0.00 2.89 0.00 -2.01 -3.50 119.26 121.14 1zgw h ALA 44 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1zgw h ALA 44 Cb 0.95 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1zgw h ALA 44 CO 0.00 0.23 0.00 -2.13 0.00 0.00 0.00 179.25 177.35 1zgw n ARG 45 N -4.57 -2.78 -4.07 0.00 3.00 -1.26 -5.19 116.66 101.79 1zgw n ARG 45 Ca -0.16 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.62 1zgw n ARG 45 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.86 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 0.49 0.24 -0.14 3.76 -1.26 -4.98 115.29 111.41 1zgw s HIS 46 Ca 0.00 -1.01 0.12 0.00 -0.15 0.00 0.00 55.06 54.02 1zgw s HIS 46 Cb 0.00 -0.36 -0.05 0.00 1.11 0.00 0.00 32.58 33.28 1zgw s HIS 46 CO 0.00 -0.37 -0.21 0.00 -0.85 0.00 0.00 174.74 173.31 1zgw s ALA 47 N -3.69 2.65 0.79 -1.40 0.00 -1.26 -5.11 121.76 113.75 1zgw s ALA 47 Ca 0.05 -1.78 -0.15 0.00 0.00 0.00 0.00 51.96 50.07 1zgw s ALA 47 Cb 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1zgw s ALA 47 CO -0.09 0.33 0.41 1.28 0.00 0.00 0.00 175.76 177.69 1zgw n LEU 48 N -0.27 0.08 0.22 0.00 4.77 -1.26 -4.83 117.00 115.72 1zgw n LEU 48 Ca -0.08 0.50 0.06 0.00 -0.03 0.00 0.00 56.01 56.46 1zgw n LEU 48 Cb 0.58 -1.18 0.53 0.00 -2.33 0.00 0.00 43.42 41.03 1zgw n LEU 48 CO 0.35 -3.45 0.95 -0.09 -1.33 0.00 0.00 177.39 173.82 1zgw h ARG 49 N -0.71 0.02 -0.75 3.23 1.12 -2.00 -3.12 114.38 112.17 1zgw h ARG 49 Ca -0.45 -0.00 0.07 0.00 -1.11 0.00 0.00 59.98 58.49 1zgw h ARG 49 Cb 1.33 -0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 31.20 1zgw h ARG 49 CO 0.39 0.15 -0.45 1.49 -3.11 0.00 0.00 179.97 178.44 1zgw h GLU 50 N 0.02 -0.01 -0.67 0.20 4.22 -2.00 0.88 114.58 117.23 1zgw h GLU 50 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1zgw h GLU 50 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1zgw h GLU 50 CO 0.02 -0.00 0.00 0.09 -2.18 0.00 0.00 179.01 176.93 1zgw n ASN 51 N -4.72 3.11 -4.25 1.04 3.02 -1.19 -4.80 115.26 107.47 1zgw n ASN 51 Ca 0.01 -2.35 -0.34 0.00 -0.03 0.00 0.00 54.58 51.87 1zgw n ASN 51 Cb 0.20 -0.50 -0.15 0.00 -0.61 0.00 0.00 39.78 38.72 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 -1.80 2.82 0.47 2.41 1.01 0.31 0.15 120.40 125.76 1zgw s VAL 52 Ca 0.28 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1zgw s VAL 52 Cb 0.20 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1zgw s VAL 52 CO 0.11 0.49 0.04 -0.94 0.00 0.00 0.00 175.10 174.79 1zgw s SER 53 N 1.18 4.09 0.13 3.32 1.04 -0.47 -4.82 113.70 118.18 1zgw s SER 53 Ca 0.02 -1.51 0.11 0.00 0.48 0.00 0.00 55.95 55.04 1zgw s SER 53 Cb -0.14 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 1zgw s SER 53 CO -0.05 -0.72 -0.26 -0.36 0.98 0.00 0.00 173.24 172.84 1zgw s PHE 54 N -2.80 2.34 0.12 5.02 0.08 -1.26 -0.15 117.98 121.33 1zgw s PHE 54 Ca 0.18 -0.36 0.05 0.00 0.12 0.00 0.00 56.93 56.93 1zgw s PHE 54 Cb 0.04 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1zgw s PHE 54 CO 0.10 0.35 -0.13 0.71 -0.10 0.00 0.00 175.22 176.15 1zgw s TYR 55 N -1.10 1.31 0.14 0.36 1.51 -0.57 -4.90 117.35 114.10 1zgw s TYR 55 Ca 0.15 -0.58 -0.11 0.00 -1.01 0.00 0.00 57.07 55.52 1zgw s TYR 55 Cb -0.10 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 1zgw s TYR 55 CO 0.07 0.11 1.47 0.00 -1.11 0.00 0.00 175.55 176.09 1zgw h ALA 56 N 3.51 0.57 -2.42 3.71 0.00 -1.90 -0.85 119.26 121.88 1zgw h ALA 56 Ca -0.39 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 53.87 1zgw h ALA 56 Cb 1.19 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 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 -6.85 0.35 0.56 0.00 2.20 -1.26 -3.53 114.94 106.40 1zgw s ASN 57 Ca -0.11 -1.21 0.31 0.00 -0.94 0.00 0.00 52.86 50.91 1zgw s ASN 57 Cb 0.11 0.29 1.64 0.00 -2.00 0.00 0.00 41.25 41.30 1zgw s ASN 57 CO 0.88 -0.72 2.14 0.00 -2.94 0.00 0.00 177.10 176.46 1zgw h ALA 58 N 2.86 1.27 -0.23 3.54 0.00 -1.91 -2.04 119.26 122.75 1zgw h ALA 58 Ca -0.35 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1zgw h ALA 58 Cb 1.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1zgw h ALA 58 CO 0.59 0.09 -0.52 1.03 0.00 0.00 0.00 179.25 180.45 1zgw h SER 59 N 0.00 0.71 -0.14 0.00 0.87 -1.96 0.83 113.55 113.86 1zgw h SER 59 Ca -0.00 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1zgw h SER 59 Cb 0.24 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1zgw h SER 59 CO 0.01 1.09 0.07 -0.08 -0.53 0.00 0.00 176.83 177.39 1zgw h GLU 60 N 0.50 0.19 -0.59 2.24 4.57 -1.79 1.19 114.58 120.89 1zgw h GLU 60 Ca 0.02 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1zgw h GLU 60 Cb 1.07 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 1zgw h GLU 60 CO 0.10 0.22 0.39 0.00 -1.18 0.00 0.00 179.01 178.54 1zgw h ALA 61 N 0.96 0.76 0.00 2.92 0.00 -1.24 0.22 119.26 122.88 1zgw h ALA 61 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1zgw h ALA 61 Cb 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1zgw h ALA 61 CO -0.01 0.17 -0.05 -0.07 0.00 0.00 0.00 179.25 179.29 1zgw h LEU 62 N 0.78 0.00 0.00 0.00 3.38 0.16 0.12 115.31 119.75 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 0.05 -0.01 0.00 0.09 0.00 0.00 178.44 178.51 1zgw h ALA 63 N 1.95 0.99 0.00 1.53 0.00 0.45 -3.11 119.26 121.07 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 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 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 -1.92 2.57 -1.88 0.00 0.00 0.40 -4.84 120.51 114.84 1zgw n ALA 64 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1zgw n ALA 64 Cb 0.47 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1zgw n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zgw n GLY 65 N 0.79 0.91 3.65 0.00 0.00 -1.17 -5.08 105.19 104.29 1zgw n GLY 65 Ca 0.21 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.60 2.70 -0.32 1.61 0.08 -1.23 -4.99 117.98 113.24 1zgw s PHE 66 Ca 0.00 -0.23 -0.12 0.00 0.12 0.00 0.00 56.93 56.70 1zgw s PHE 66 Cb 0.00 -1.21 -0.03 0.00 -0.57 0.00 0.00 43.02 41.21 1zgw s PHE 66 CO 0.00 0.61 0.23 1.03 -0.10 0.00 0.00 175.22 176.99 1zgw s ARG 67 N -3.68 3.67 0.35 0.44 1.81 0.85 -4.68 118.95 117.71 1zgw s ARG 67 Ca 0.32 -0.51 -0.28 0.00 -1.72 0.00 0.00 55.73 53.53 1zgw s ARG 67 Cb -0.06 -3.75 -0.11 0.00 -0.45 0.00 0.00 34.95 30.58 1zgw s ARG 67 CO 0.20 -0.35 1.47 -1.25 -0.68 0.00 0.00 175.30 174.69 1zgw s PRO 68 N 1.75 4.16 0.15 3.54 0.04 -1.26 -3.78 135.00 139.59 1zgw s PRO 68 Ca 0.07 2.50 -0.31 0.00 0.04 0.00 0.00 61.00 63.30 1zgw s PRO 68 Cb -0.17 -3.00 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 1zgw s PRO 68 CO 0.11 -0.49 1.67 0.00 0.04 0.00 0.00 177.00 178.33 1zgw n LYS 70 N 4.64 0.00 -0.02 0.00 0.00 -1.26 -0.20 118.16 121.32 1zgw n LYS 70 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.45 1zgw n LYS 70 Cb 0.38 -1.23 -0.02 0.00 0.00 0.00 0.00 35.03 34.16 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 -0.72 1.79 0.02 1.64 0.63 -1.26 -4.51 116.66 114.24 1zgw n ARG 71 Ca 0.00 0.01 0.11 0.00 -0.92 0.00 0.00 57.85 57.05 1zgw n ARG 71 Cb 0.00 -1.07 0.02 0.00 0.45 0.00 0.00 32.46 31.86 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 0.19 0.00 0.00 5.75 -0.86 -3.38 115.11 116.82 1zgw h GLN 73 Ca 0.00 -0.33 -0.12 0.00 -0.15 0.00 0.00 58.65 58.05 1zgw h GLN 73 Cb 0.68 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 1zgw h GLN 73 CO 0.00 1.16 -0.57 -1.00 -2.65 0.00 0.00 178.83 175.77 1zgw h PRO 74 N -0.37 0.00 -7.78 -2.39 0.13 -1.76 -3.46 132.00 116.37 1zgw h PRO 74 Ca -0.34 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.35 1zgw h PRO 74 Cb 1.72 0.00 0.17 0.00 0.13 0.00 0.00 31.00 33.02 1zgw h PRO 74 CO 0.01 0.53 0.39 0.16 -0.23 0.00 0.00 178.00 178.85 1zgw s ASP 75 N -6.45 2.76 -0.07 1.44 -4.77 -1.23 -5.07 116.67 103.28 1zgw s ASP 75 Ca 0.04 0.29 0.01 0.00 -3.30 0.00 0.00 52.55 49.58 1zgw s ASP 75 Cb 0.08 -0.34 -0.03 0.00 -1.09 0.00 0.00 42.92 41.54 1zgw s ASP 75 CO 0.75 -2.96 -0.06 -0.54 0.70 0.00 0.00 175.17 173.07 1zgw s LYS 76 N -5.84 2.77 0.00 2.11 -0.14 -1.26 -4.96 119.74 112.41 1zgw s LYS 76 Ca 0.74 -0.54 0.00 0.00 -1.36 0.00 0.00 55.97 54.81 1zgw s LYS 76 Cb -0.04 -2.61 0.00 0.00 -1.68 0.00 0.00 37.83 33.50 1zgw s LYS 76 CO 0.54 0.67 0.00 0.00 -0.76 0.00 0.00 175.35 175.79 1zgw n ALA 77 N 2.20 0.00 0.20 5.17 0.00 -1.26 -4.19 120.51 122.63 1zgw n ALA 77 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.32 1zgw n ALA 77 Cb 0.53 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 0.07 0.23 0.00 -0.26 1.71 1.18 115.58 118.51 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 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.24 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 0.08 0.00 0.20 0.81 0.13 -1.88 -2.84 132.00 128.50 1zgw h PRO 79 Ca 0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1zgw h PRO 79 Cb 0.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 1zgw h PRO 79 CO 0.01 0.00 -0.22 -0.09 -0.23 0.00 0.00 178.00 177.47 1zgw h ARG 80 N 0.00 -0.41 -0.98 0.86 2.43 0.13 -0.66 114.38 115.75 1zgw h ARG 80 Ca -0.00 0.03 0.24 0.00 -0.81 0.00 0.00 59.98 59.44 1zgw h ARG 80 Cb 0.12 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.69 1zgw h ARG 80 CO 0.00 -0.28 0.65 1.96 -1.51 0.00 0.00 179.97 180.79 1zgw h GLN 81 N -0.43 0.33 -0.36 0.20 1.08 -1.59 -0.13 115.11 114.21 1zgw h GLN 81 Ca -0.03 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.04 1zgw h GLN 81 Cb 0.38 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1zgw h GLN 81 CO -0.04 0.22 -0.25 0.45 -0.95 0.00 0.00 178.83 178.26 1zgw h HIS 82 N 0.33 0.93 0.00 2.96 3.86 -1.47 -1.16 115.15 120.61 1zgw h HIS 82 Ca 0.52 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 59.47 1zgw h HIS 82 Cb 1.43 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.69 1zgw h HIS 82 CO -0.00 1.02 -0.05 -0.09 0.86 0.00 0.00 177.93 179.67 1zgw h ARG 83 N 0.58 0.00 0.05 2.45 2.43 0.48 -1.44 114.38 118.93 1zgw h ARG 83 Ca 0.07 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.00 1zgw h ARG 83 Cb 0.81 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1zgw h ARG 83 CO 0.07 0.05 -1.04 -0.07 -1.51 0.00 0.00 179.97 177.47 1zgw h LEU 84 N 0.00 0.41 -1.24 3.80 -0.00 -0.50 -2.81 115.31 114.98 1zgw h LEU 84 Ca -0.00 -0.37 0.01 0.00 -0.00 0.00 0.00 57.88 57.51 1zgw h LEU 84 Cb 0.42 -0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 40.91 1zgw h LEU 84 CO 0.01 1.21 0.51 0.44 -0.00 0.00 0.00 178.44 180.62 1zgw h ASP 85 N 0.14 0.89 0.01 -0.43 3.32 -0.15 -2.06 116.42 118.14 1zgw h ASP 85 Ca -0.09 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1zgw h ASP 85 Cb 1.71 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 41.03 1zgw h ASP 85 CO 0.17 0.65 -0.02 0.50 -1.72 0.00 0.00 179.24 178.82 1zgw h LYS 86 N 1.05 -0.04 -0.88 3.56 3.64 -1.28 -2.61 116.57 120.01 1zgw h LYS 86 Ca 0.28 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1zgw h LYS 86 Cb -0.12 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.66 1zgw h LYS 86 CO -0.06 -0.03 0.58 0.82 -2.27 0.00 0.00 179.45 178.49 1zgw h ILE 87 N -0.04 1.16 -0.58 2.00 2.04 -1.15 -0.69 117.51 120.24 1zgw h ILE 87 Ca 0.01 -0.38 0.10 0.00 1.00 0.00 0.00 64.86 65.58 1zgw h ILE 87 Cb 0.04 -0.05 -0.08 0.00 -0.74 0.00 0.00 36.82 35.99 1zgw h ILE 87 CO -0.01 0.20 0.17 0.74 0.00 0.00 0.00 178.15 179.25 1zgw h THR 88 N 1.11 0.72 -0.91 -0.27 2.02 -1.04 0.89 112.91 115.44 1zgw h THR 88 Ca 0.35 -0.11 0.12 0.00 0.77 0.00 0.00 66.41 67.53 1zgw h THR 88 Cb 0.01 0.37 -0.07 0.00 -1.74 0.00 0.00 68.15 66.71 1zgw h THR 88 CO -0.10 0.06 0.58 -0.74 0.37 0.00 0.00 175.52 175.69 1zgw h HIS 89 N 0.33 0.93 -0.91 3.16 6.17 -0.83 0.66 115.15 124.65 1zgw h HIS 89 Ca 0.30 0.03 0.12 0.00 0.71 0.00 0.00 60.37 61.53 1zgw h HIS 89 Cb 0.40 -0.30 -0.07 0.00 2.52 0.00 0.00 27.41 29.96 1zgw h HIS 89 CO -0.20 0.39 0.59 0.00 0.71 0.00 0.00 177.93 179.42 1zgw h ALA 90 N 1.57 1.71 -0.04 5.26 0.00 0.14 0.59 119.26 128.49 1zgw h ALA 90 Ca 0.44 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1zgw h ALA 90 Cb 0.53 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1zgw h ALA 90 CO -0.20 0.07 0.02 0.00 0.00 0.00 0.00 179.25 179.14 1zgw h ARG 92 N -0.04 -0.22 -0.81 0.00 2.43 -0.45 0.17 114.38 115.47 1zgw h ARG 92 Ca 0.01 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 1zgw h ARG 92 Cb 0.11 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 1zgw h ARG 92 CO -0.00 -0.14 0.53 -0.07 -1.51 0.00 0.00 179.97 178.77 1zgw h LEU 93 N -0.22 0.67 -0.06 3.80 4.07 -1.07 1.55 115.31 124.05 1zgw h LEU 93 Ca 0.19 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1zgw h LEU 93 Cb 0.53 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1zgw h LEU 93 CO -0.56 0.40 0.00 0.18 -1.08 0.00 0.00 178.44 177.38 1zgw n LEU 94 N -4.51 0.05 0.00 1.67 4.32 0.53 -2.67 117.00 116.40 1zgw n LEU 94 Ca 0.14 0.51 0.00 0.00 -0.02 0.00 0.00 56.01 56.64 1zgw n LEU 94 Cb 0.33 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1zgw n LEU 94 CO 0.32 -0.30 -0.00 1.21 -1.22 0.00 0.00 177.39 177.40 1zgw n GLU 95 N -1.56 3.50 -0.09 3.23 4.07 0.04 -4.86 120.64 124.97 1zgw n GLU 95 Ca 0.03 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.99 1zgw n GLU 95 Cb 0.16 -0.26 -0.07 0.00 -0.06 0.00 0.00 31.44 31.21 1zgw n GLU 95 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1zgw n GLN 96 N -0.51 0.51 0.00 5.31 7.27 0.51 -4.98 117.38 125.50 1zgw n GLN 96 Ca 0.00 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.62 1zgw n GLN 96 Cb 0.00 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 30.93 1zgw n GLN 96 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1zgw n GLU 97 N -4.51 2.42 -0.03 3.69 0.28 -1.09 -5.05 120.64 116.34 1zgw n GLU 97 Ca -0.21 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.75 1zgw n GLU 97 Cb 0.49 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.35 1zgw n GLU 97 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1zgw n THR 98 N 0.00 0.87 -2.05 3.84 -1.04 -1.26 -4.95 114.28 109.69 1zgw n THR 98 Ca 0.00 0.27 -0.41 0.00 -2.04 0.00 0.00 64.05 61.88 1zgw n THR 98 Cb 0.00 -1.84 -0.01 0.00 -1.82 0.00 0.00 70.33 66.65 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 -2.02 4.25 0.46 -2.82 0.04 -1.26 -4.98 135.00 128.67 1zgw s PRO 99 Ca -0.13 2.27 -0.20 0.00 0.04 0.00 0.00 61.00 62.97 1zgw s PRO 99 Cb 0.02 -3.00 -0.10 0.00 0.04 0.00 0.00 34.50 31.46 1zgw s PRO 99 CO 0.19 -0.30 0.98 0.08 0.04 0.00 0.00 177.00 178.00 1zgw s VAL 100 N -1.16 4.19 -0.38 -0.36 1.01 -1.26 -4.85 120.40 117.58 1zgw s VAL 100 Ca 0.51 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.85 1zgw s VAL 100 Cb -0.41 -3.55 0.11 0.00 0.00 0.00 0.00 36.38 32.53 1zgw s VAL 100 CO 0.54 -0.33 0.11 0.42 0.00 0.00 0.00 175.10 175.84 1zgw s THR 101 N -2.15 2.47 0.00 3.92 -4.23 -1.26 -4.68 115.64 109.70 1zgw s THR 101 Ca 0.64 -2.49 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1zgw s THR 101 Cb -0.12 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1zgw s THR 101 CO 0.17 -0.65 0.00 0.18 -0.54 0.00 0.00 174.62 173.78 1zgw n LEU 102 N 4.08 0.00 -0.33 4.79 4.32 -1.26 -4.85 117.00 123.76 1zgw n LEU 102 Ca 0.04 0.00 0.17 0.00 -0.02 0.00 0.00 56.01 56.20 1zgw n LEU 102 Cb 0.40 0.00 0.33 0.00 -1.62 0.00 0.00 43.42 42.54 1zgw n LEU 102 CO 0.25 0.00 0.81 1.21 -1.22 0.00 0.00 177.39 178.44 1zgw n GLU 103 N -0.68 -0.07 -0.12 3.23 4.07 -1.26 0.66 120.64 126.46 1zgw n GLU 103 Ca 0.00 1.41 -0.13 0.00 -0.06 0.00 0.00 57.16 58.38 1zgw n GLU 103 Cb 0.03 -2.29 -0.02 0.00 -0.06 0.00 0.00 31.44 29.10 1zgw n GLU 103 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1zgw h ALA 104 N 1.91 0.57 0.34 4.31 0.00 -1.98 -1.68 119.26 122.72 1zgw h ALA 104 Ca 0.62 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1zgw h ALA 104 Cb 1.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1zgw h ALA 104 CO -0.87 0.66 -0.16 1.25 0.00 0.00 0.00 179.25 180.13 1zgw h LEU 105 N 0.75 -0.38 -0.87 0.00 5.85 -0.12 -1.88 115.31 118.66 1zgw h LEU 105 Ca 0.06 -0.16 0.16 0.00 0.84 0.00 0.00 57.88 58.78 1zgw h LEU 105 Cb 0.96 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.99 1zgw h LEU 105 CO 0.09 0.05 0.44 0.00 -0.34 0.00 0.00 178.44 178.68 1zgw h ALA 106 N -0.56 1.33 -0.66 1.25 0.00 0.10 0.17 119.26 120.89 1zgw h ALA 106 Ca -0.05 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1zgw h ALA 106 Cb 0.52 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1zgw h ALA 106 CO 0.08 -0.13 0.08 -0.44 0.00 0.00 0.00 179.25 178.83 1zgw h ASP 107 N 0.59 1.07 -0.64 0.00 3.32 -1.31 0.75 116.42 120.21 1zgw h ASP 107 Ca 0.49 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 1zgw h ASP 107 Cb 0.74 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1zgw h ASP 107 CO -0.39 1.08 0.19 -0.61 -1.72 0.00 0.00 179.24 177.78 1zgw h GLN 108 N 1.03 1.00 0.00 3.56 4.15 -0.14 -3.05 115.11 121.65 1zgw h GLN 108 Ca 0.20 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1zgw h GLN 108 Cb 0.48 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1zgw h GLN 108 CO 0.02 0.88 -1.02 0.28 -1.93 0.00 0.00 178.83 177.06 1zgw n VAL 109 N -4.35 0.57 -2.43 2.39 0.31 -0.58 -4.98 118.33 109.25 1zgw n VAL 109 Ca 0.04 -0.52 -0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1zgw n VAL 109 Cb 0.22 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 -2.15 -0.02 -2.22 3.52 0.00 0.25 -5.08 120.51 114.81 1zgw n ALA 110 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1zgw n ALA 110 Cb 0.54 -0.56 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 1zgw n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zgw s MET 111 N -4.85 1.30 0.97 0.00 0.23 -0.64 -5.02 119.30 111.29 1zgw s MET 111 Ca 0.01 -1.70 -0.13 0.00 -1.03 0.00 0.00 55.69 52.84 1zgw s MET 111 Cb -0.00 0.28 0.17 0.00 -1.53 0.00 0.00 34.83 33.75 1zgw s MET 111 CO 0.01 -0.44 1.12 -1.54 -2.03 0.00 0.00 175.02 172.15 1zgw s SER 112 N -3.20 2.95 0.41 -1.18 1.04 -1.26 -4.58 113.70 107.88 1zgw s SER 112 Ca 0.39 0.99 0.10 0.00 0.48 0.00 0.00 55.95 57.92 1zgw s SER 112 Cb 0.06 -1.57 0.85 0.00 0.10 0.00 0.00 66.02 65.46 1zgw s SER 112 CO 0.15 -2.90 1.96 1.55 0.98 0.00 0.00 173.24 174.98 1zgw h PRO 113 N -1.74 0.25 -0.21 4.02 0.13 -1.97 -0.30 132.00 132.17 1zgw h PRO 113 Ca -0.52 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.49 1zgw h PRO 113 Cb 1.33 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1zgw h PRO 113 CO 0.58 0.33 -0.18 0.74 -0.23 0.00 0.00 178.00 179.24 1zgw h PHE 114 N 0.24 0.59 0.00 1.56 -1.00 -2.00 -2.18 116.94 114.15 1zgw h PHE 114 Ca 0.05 -0.17 -0.03 0.00 2.81 0.00 0.00 57.97 60.63 1zgw h PHE 114 Cb 0.27 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.70 1zgw h PHE 114 CO 0.00 0.83 -0.14 1.25 -1.61 0.00 0.00 178.31 178.64 1zgw h HIS 115 N 0.19 0.00 -0.47 -0.55 2.76 -1.79 -1.68 115.15 113.60 1zgw h HIS 115 Ca 0.04 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 1zgw h HIS 115 Cb 0.72 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 1zgw h HIS 115 CO 0.07 0.14 0.04 1.25 -1.30 0.00 0.00 177.93 178.14 1zgw h LEU 116 N 0.00 0.78 -0.89 0.26 7.12 -0.78 0.81 115.31 122.61 1zgw h LEU 116 Ca -0.00 -0.28 -0.03 0.00 0.13 0.00 0.00 57.88 57.70 1zgw h LEU 116 Cb 0.64 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 40.52 1zgw h LEU 116 CO 0.02 0.87 0.41 0.45 -0.13 0.00 0.00 178.44 180.06 1zgw h HIS 117 N 0.67 1.20 -0.69 1.25 3.86 -0.89 -0.25 115.15 120.30 1zgw h HIS 117 Ca 0.14 -0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1zgw h HIS 117 Cb 0.44 -0.37 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 1zgw h HIS 117 CO 0.03 0.87 0.46 -0.09 0.86 0.00 0.00 177.93 180.06 1zgw h ARG 118 N 1.19 0.82 -0.31 2.45 9.65 -0.46 -1.27 114.38 126.46 1zgw h ARG 118 Ca 0.29 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 59.05 1zgw h ARG 118 Cb 0.11 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 1zgw h ARG 118 CO -0.04 0.54 -0.08 1.25 2.80 0.00 0.00 179.97 184.45 1zgw h LEU 119 N 0.84 0.60 -1.00 3.80 7.12 0.42 -0.89 115.31 126.20 1zgw h LEU 119 Ca 0.27 -0.37 0.23 0.00 0.13 0.00 0.00 57.88 58.15 1zgw h LEU 119 Cb 0.05 -0.16 -0.12 0.00 -0.53 0.00 0.00 40.66 39.89 1zgw h LEU 119 CO -0.08 0.83 0.60 0.15 -0.13 0.00 0.00 178.44 179.81 1zgw h PHE 120 N 0.36 1.03 -0.04 1.25 3.04 0.05 0.27 116.94 122.91 1zgw h PHE 120 Ca 0.08 0.04 -0.26 0.00 3.98 0.00 0.00 57.97 61.81 1zgw h PHE 120 Cb 0.56 -0.30 0.02 0.00 2.56 0.00 0.00 35.95 38.79 1zgw h PHE 120 CO 0.05 0.11 -0.98 -0.22 -2.02 0.00 0.00 178.31 175.25 1zgw h LYS 121 N 0.63 0.73 0.28 1.11 3.11 -1.06 -1.31 116.57 120.05 1zgw h LYS 121 Ca 0.63 -0.73 -0.00 0.00 -2.81 0.00 0.00 60.65 57.73 1zgw h LYS 121 Cb 1.15 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 32.56 1zgw h LYS 121 CO -0.45 1.31 -0.22 0.00 -2.81 0.00 0.00 179.45 177.28 1zgw h ALA 122 N 0.43 -0.50 0.53 5.00 0.00 0.81 1.76 119.26 127.29 1zgw h ALA 122 Ca -0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1zgw h ALA 122 Cb 1.63 0.30 0.01 0.00 0.00 0.00 0.00 17.79 19.73 1zgw h ALA 122 CO 0.19 -0.80 -0.26 1.15 0.00 0.00 0.00 179.25 179.54 1zgw h THR 123 N -0.51 0.00 -0.97 0.00 2.02 -0.76 -2.96 112.91 109.73 1zgw h THR 123 Ca -0.02 -0.46 0.26 0.00 0.77 0.00 0.00 66.41 66.96 1zgw h THR 123 Cb 0.45 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.80 1zgw h THR 123 CO -0.02 0.00 0.67 0.00 0.37 0.00 0.00 175.52 176.54 1zgw h THR 124 N -1.18 0.56 0.00 3.16 1.03 -1.27 -3.46 112.91 111.75 1zgw h THR 124 Ca -0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1zgw h THR 124 Cb 0.55 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 67.98 1zgw h THR 124 CO 0.12 0.04 0.00 0.61 -0.01 0.00 0.00 175.52 176.28 1zgw n GLY 125 N -1.62 3.09 2.69 2.99 0.00 0.59 -4.92 105.19 108.02 1zgw n GLY 125 Ca 0.21 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 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 1.22 -2.78 1.61 0.00 -0.94 -4.66 117.12 111.57 1zgw n MET 126 Ca 0.00 -1.92 -0.01 0.00 0.00 0.00 0.00 57.70 55.77 1zgw n MET 126 Cb 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 33.22 33.10 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 -0.21 -0.45 0.00 2.03 2.01 -1.26 -5.01 115.64 112.75 1zgw s THR 127 Ca 0.21 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.95 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 -0.08 0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.04 1zgw n PRO 128 N 3.20 0.00 0.17 4.92 -0.04 -1.26 -3.09 135.00 138.90 1zgw n PRO 128 Ca 0.11 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.75 1zgw n PRO 128 Cb 0.62 0.00 0.80 0.00 -0.04 0.00 0.00 33.50 34.88 1zgw n PRO 128 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1zgw h LYS 129 N 0.00 0.00 -0.20 0.54 3.64 -1.90 0.69 116.57 119.34 1zgw h LYS 129 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 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 -0.35 0.00 -2.27 0.00 0.00 179.45 176.83 1zgw h ALA 130 N 1.69 1.03 -0.67 5.00 0.00 -1.92 0.10 119.26 124.48 1zgw h ALA 130 Ca 0.12 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1zgw h ALA 130 Cb 0.67 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1zgw h ALA 130 CO -0.00 0.59 0.18 2.35 0.00 0.00 0.00 179.25 182.38 1zgw h TRP 131 N 0.36 1.09 -0.42 0.00 -0.00 -0.79 0.10 115.95 116.30 1zgw h TRP 131 Ca 0.04 -0.11 -0.09 0.00 -0.00 0.00 0.00 58.89 58.73 1zgw h TRP 131 Cb 0.79 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.62 1zgw h TRP 131 CO 0.02 0.88 -0.08 0.37 -0.00 0.00 0.00 178.44 179.63 1zgw h GLN 132 N 1.01 0.79 -0.10 2.65 -0.00 -1.29 -1.93 115.11 116.23 1zgw h GLN 132 Ca 0.22 -0.29 -0.01 0.00 -0.00 0.00 0.00 58.65 58.57 1zgw h GLN 132 Cb 0.32 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.75 1zgw h GLN 132 CO -0.00 0.90 0.04 0.37 0.00 0.00 0.00 178.83 180.14 1zgw h GLN 133 N 0.61 0.15 0.79 1.69 4.15 -0.27 -1.97 115.11 120.26 1zgw h GLN 133 Ca 0.11 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 1zgw h GLN 133 Cb 0.60 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.28 1zgw h GLN 133 CO 0.04 0.27 -0.38 0.00 -1.93 0.00 0.00 178.83 176.83 1zgw h ALA 134 N 0.87 -1.06 -0.75 3.38 0.00 -0.80 -0.86 119.26 120.05 1zgw h ALA 134 Ca 0.03 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 54.88 1zgw h ALA 134 Cb 0.18 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 18.25 1zgw h ALA 134 CO -0.00 -1.03 0.01 -1.49 0.00 0.00 0.00 179.25 176.74 1zgw h TRP 135 N -1.18 -0.03 -0.73 0.00 -0.00 -1.40 0.63 115.95 113.23 1zgw h TRP 135 Ca -0.11 0.05 0.02 0.00 -0.00 0.00 0.00 58.89 58.86 1zgw h TRP 135 Cb 0.82 0.13 -0.04 0.00 -0.00 0.00 0.00 29.16 30.08 1zgw h TRP 135 CO -0.00 -0.23 0.48 -0.09 -0.00 0.00 0.00 178.44 178.60 1zgw h ARG 136 N 0.11 0.91 -0.01 0.49 2.43 -1.21 1.04 114.38 118.14 1zgw h ARG 136 Ca 0.41 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.45 1zgw h ARG 136 Cb 0.72 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1zgw h ARG 136 CO -0.65 0.60 -0.35 0.00 -1.51 0.00 0.00 179.97 178.06 1zgw h ALA 137 N 1.56 1.41 0.00 2.80 0.00 0.17 -2.63 119.26 122.57 1zgw h ALA 137 Ca 0.28 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1zgw h ALA 137 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1zgw h ALA 137 CO -0.07 0.44 -1.01 -2.13 0.00 0.00 0.00 179.25 176.48 1zgw n ARG 138 N -4.12 0.10 0.00 0.00 0.63 -0.54 -5.10 116.66 107.63 1zgw n ARG 138 Ca -0.02 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1zgw n ARG 138 Cb 0.39 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.81 1zgw n ARG 138 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99