#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gzf n LEU 1 N 0.00 1.05 -3.94 0.99 4.77 -1.26 -4.72 117.00 113.89 3gzf n LEU 1 Ca 0.00 -0.28 -0.19 0.00 -0.03 0.00 0.00 56.01 55.51 3gzf n LEU 1 Cb 0.00 -0.10 -0.16 0.00 -2.33 0.00 0.00 43.42 40.83 3gzf n LEU 1 CO 0.00 0.19 -0.41 -0.36 -1.33 0.00 0.00 177.39 175.48 3gzf s PHE 2 N -2.37 0.72 -0.27 -1.77 0.40 -1.26 -0.11 117.98 113.32 3gzf s PHE 2 Ca 0.28 -0.18 -0.25 0.00 -0.60 0.00 0.00 56.93 56.18 3gzf s PHE 2 Cb 0.20 -0.57 0.00 0.00 0.51 0.00 0.00 43.02 43.16 3gzf s PHE 2 CO 0.47 -0.11 0.88 -1.21 0.70 0.00 0.00 175.22 175.94 3gzf s GLU 3 N 0.43 4.12 5.95 0.44 0.41 -1.11 -4.87 118.70 124.07 3gzf s GLU 3 Ca -0.06 0.92 0.00 0.00 -0.41 0.00 0.00 54.97 55.42 3gzf s GLU 3 Cb -0.10 -3.68 0.00 0.00 -1.78 0.00 0.00 34.13 28.57 3gzf s GLU 3 CO 0.00 -0.63 0.00 0.41 -0.49 0.00 0.00 175.26 174.55 3gzf n GLY 4 N 3.83 1.29 0.01 -1.39 0.00 -1.26 -2.50 105.19 105.18 3gzf n GLY 4 Ca 0.07 0.38 0.04 0.00 0.00 0.00 0.00 46.02 46.51 3gzf n GLY 4 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gzf n ASP 5 N 11.79 0.43 -4.67 1.61 2.03 -1.26 -5.00 116.55 121.48 3gzf n ASP 5 Ca 0.00 -0.71 -0.31 0.00 0.52 0.00 0.00 54.79 54.29 3gzf n ASP 5 Cb 0.00 0.98 -0.09 0.00 -0.72 0.00 0.00 41.12 41.29 3gzf n ASP 5 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3gzf s LYS 6 N -1.76 2.57 0.35 -0.67 -2.85 -1.04 -5.09 119.74 111.26 3gzf s LYS 6 Ca 0.03 -0.79 -0.28 0.00 -1.00 0.00 0.00 55.97 53.94 3gzf s LYS 6 Cb 0.06 -2.55 -0.10 0.00 -2.06 0.00 0.00 37.83 33.19 3gzf s LYS 6 CO 0.34 0.56 1.27 0.12 0.10 0.00 0.00 175.35 177.74 3gzf s PHE 7 N -1.22 3.03 0.00 1.78 5.36 -1.26 -2.75 117.98 122.92 3gzf s PHE 7 Ca 0.23 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.66 3gzf s PHE 7 Cb -0.12 -3.61 0.00 0.00 -0.34 0.00 0.00 43.02 38.96 3gzf s PHE 7 CO 0.15 -1.74 0.00 0.28 -1.46 0.00 0.00 175.22 172.45 3gzf n VAL 8 N 0.57 0.00 -1.18 3.12 0.31 0.85 -4.86 118.33 117.13 3gzf n VAL 8 Ca 0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.01 3gzf n VAL 8 Cb 0.43 1.28 0.12 0.00 -0.91 0.00 0.00 33.84 34.76 3gzf n VAL 8 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3gzf s GLY 9 N 0.00 2.14 0.94 2.92 0.00 -1.07 -4.96 107.32 107.29 3gzf s GLY 9 Ca 0.00 0.80 -0.14 0.00 0.00 0.00 0.00 44.72 45.38 3gzf s GLY 9 CO 0.00 1.21 1.20 -1.35 0.00 0.00 0.00 173.10 174.17 3gzf s SER 10 N -2.23 3.32 0.30 1.64 1.04 -1.26 -4.85 113.70 111.65 3gzf s SER 10 Ca 0.72 0.66 0.02 0.00 0.48 0.00 0.00 55.95 57.83 3gzf s SER 10 Cb -0.28 -1.00 0.47 0.00 0.10 0.00 0.00 66.02 65.31 3gzf s SER 10 CO 0.50 -2.64 1.80 0.15 0.98 0.00 0.00 173.24 174.03 3gzf h PHE 11 N -1.56 0.62 0.20 5.02 3.04 -1.93 -1.80 116.94 120.54 3gzf h PHE 11 Ca -0.47 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 61.38 3gzf h PHE 11 Cb 1.30 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.64 3gzf h PHE 11 CO -0.46 0.65 -0.10 0.93 -2.02 0.00 0.00 178.31 177.32 3gzf h GLU 12 N 0.55 -0.26 0.25 1.11 3.07 -1.99 0.69 114.58 117.99 3gzf h GLU 12 Ca 0.10 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.99 3gzf h GLU 12 Cb 0.47 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 3gzf h GLU 12 CO 0.02 0.13 -0.32 0.77 -1.40 0.00 0.00 179.01 178.21 3gzf h SER 13 N -0.80 -0.89 -0.79 1.42 0.02 -1.95 -2.51 113.55 108.05 3gzf h SER 13 Ca -0.03 0.09 0.19 0.00 -0.84 0.00 0.00 61.79 61.20 3gzf h SER 13 Cb 0.51 0.32 -0.13 0.00 0.14 0.00 0.00 62.40 63.24 3gzf h SER 13 CO 0.05 -0.44 0.05 0.00 -1.14 0.00 0.00 176.83 175.35 3gzf h ALA 14 N -0.05 0.89 -0.45 3.77 0.00 -1.30 0.19 119.26 122.30 3gzf h ALA 14 Ca 0.00 0.24 0.13 0.00 0.00 0.00 0.00 54.91 55.28 3gzf h ALA 14 Cb 0.60 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3gzf h ALA 14 CO -0.11 -0.43 0.36 0.00 0.00 0.00 0.00 179.25 179.08 3gzf h ALA 15 N 1.73 2.31 -0.01 0.00 0.00 -0.39 0.15 119.26 123.06 3gzf h ALA 15 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3gzf h ALA 15 Cb 0.81 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3gzf h ALA 15 CO -0.67 -0.60 -0.53 -1.33 0.00 0.00 0.00 179.25 176.12 3gzf n MET 16 N -4.15 0.72 -1.40 0.00 2.81 0.62 -4.43 117.12 111.29 3gzf n MET 16 Ca 0.08 -0.54 -0.00 0.00 -1.81 0.00 0.00 57.70 55.43 3gzf n MET 16 Cb 0.56 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 3gzf n MET 16 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gzf n GLY 17 N 1.43 2.82 3.17 3.03 0.00 0.54 -4.62 105.19 111.55 3gzf n GLY 17 Ca 0.08 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 3gzf n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gzf s THR 18 N 0.21 2.09 0.02 2.61 2.01 -1.26 -3.66 115.64 117.66 3gzf s THR 18 Ca 0.00 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 60.76 3gzf s THR 18 Cb -0.00 -1.84 0.09 0.00 0.01 0.00 0.00 72.50 70.76 3gzf s THR 18 CO 0.00 0.55 0.80 0.72 -0.69 0.00 0.00 174.62 176.00 3gzf s PHE 19 N 0.89 -0.43 -0.10 4.92 -0.71 -0.72 -5.00 117.98 116.84 3gzf s PHE 19 Ca -0.05 0.37 -0.23 0.00 -1.04 0.00 0.00 56.93 55.97 3gzf s PHE 19 Cb -0.15 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.15 3gzf s PHE 19 CO -0.04 -0.61 0.71 0.08 -1.34 0.00 0.00 175.22 174.02 3gzf s VAL 20 N -2.91 5.02 -0.38 -2.49 1.01 -1.26 0.71 120.40 120.11 3gzf s VAL 20 Ca 0.02 1.43 -0.26 0.00 0.00 0.00 0.00 61.98 63.16 3gzf s VAL 20 Cb -0.01 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.35 3gzf s VAL 20 CO -0.07 0.20 0.96 -0.63 0.00 0.00 0.00 175.10 175.56 3gzf s ILE 21 N 1.14 4.54 0.12 2.22 1.01 0.19 -4.75 121.20 125.66 3gzf s ILE 21 Ca 0.36 1.24 0.02 0.00 0.00 0.00 0.00 60.65 62.27 3gzf s ILE 21 Cb -0.17 -4.37 -0.01 0.00 0.01 0.00 0.00 42.46 37.92 3gzf s ILE 21 CO 0.16 -0.59 0.08 -0.90 0.00 0.00 0.00 174.94 173.69 3gzf n ASP 22 N 6.90 0.18 0.27 3.58 5.68 -1.26 -1.07 116.55 130.82 3gzf n ASP 22 Ca 0.08 -1.73 0.14 0.00 -0.50 0.00 0.00 54.79 52.78 3gzf n ASP 22 Cb 0.48 0.49 0.74 0.00 -1.14 0.00 0.00 41.12 41.69 3gzf n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gzf h MET 23 N 0.00 0.00 0.15 0.11 -0.00 -1.94 -0.63 114.93 112.62 3gzf h MET 23 Ca -0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 59.70 59.28 3gzf h MET 23 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.00 3gzf h MET 23 CO 0.13 0.11 -1.64 0.00 -0.00 0.00 0.00 176.91 175.51 3gzf h ARG 24 N 0.00 0.32 0.01 -0.10 3.08 -1.95 -1.51 114.38 114.22 3gzf h ARG 24 Ca -0.00 -0.54 -0.25 0.00 0.07 0.00 0.00 59.98 59.25 3gzf h ARG 24 Cb 0.37 0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.63 3gzf h ARG 24 CO 0.01 1.20 -1.01 0.66 -1.07 0.00 0.00 179.97 179.76 3gzf h SER 25 N 0.09 0.73 -0.33 7.04 4.64 -1.82 -1.83 113.55 122.07 3gzf h SER 25 Ca -0.29 -0.60 0.01 0.00 -0.47 0.00 0.00 61.79 60.44 3gzf h SER 25 Cb 2.06 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.90 3gzf h SER 25 CO 0.17 1.40 0.20 0.22 -0.87 0.00 0.00 176.83 177.95 3gzf h TYR 26 N 0.31 0.37 -0.79 4.77 3.20 -1.20 -0.31 116.97 123.33 3gzf h TYR 26 Ca -0.11 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.86 3gzf h TYR 26 Cb 1.66 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 39.74 3gzf h TYR 26 CO 0.08 0.22 0.44 1.49 -1.64 0.00 0.00 178.16 178.76 3gzf h GLU 27 N 0.41 0.73 -0.15 1.82 4.81 -1.21 -0.50 114.58 120.49 3gzf h GLU 27 Ca 0.13 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3gzf h GLU 27 Cb -0.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3gzf h GLU 27 CO -0.05 0.48 0.03 1.15 -0.73 0.00 0.00 179.01 179.89 3gzf h THR 28 N 0.75 1.22 0.26 0.32 2.02 -0.39 -2.48 112.91 114.61 3gzf h THR 28 Ca 0.38 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3gzf h THR 28 Cb 0.34 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3gzf h THR 28 CO -0.24 0.21 -0.12 -0.07 0.37 0.00 0.00 175.52 175.66 3gzf h LEU 29 N 0.03 -0.30 -1.49 2.58 3.38 -0.85 -2.94 115.31 115.73 3gzf h LEU 29 Ca 0.05 -0.23 0.26 0.00 0.09 0.00 0.00 57.88 58.04 3gzf h LEU 29 Cb 0.30 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 3gzf h LEU 29 CO 0.00 0.14 0.67 0.58 0.09 0.00 0.00 178.44 179.93 3gzf h VAL 30 N -0.81 0.55 -0.21 1.22 2.07 -1.16 0.30 116.25 118.20 3gzf h VAL 30 Ca -0.04 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3gzf h VAL 30 Cb 0.51 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3gzf h VAL 30 CO 0.06 0.06 0.00 0.59 0.02 0.00 0.00 177.57 178.30 3gzf n ASN 31 N -4.54 1.45 -0.63 0.57 3.02 -0.93 -3.72 115.26 110.49 3gzf n ASN 31 Ca 0.24 -1.83 0.02 0.00 -0.03 0.00 0.00 54.58 52.98 3gzf n ASN 31 Cb 0.88 -0.14 0.03 0.00 -0.61 0.00 0.00 39.78 39.94 3gzf n ASN 31 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3gzf n SER 32 N 0.23 0.56 0.00 6.41 3.41 0.10 -4.90 113.62 119.42 3gzf n SER 32 Ca 0.13 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 3gzf n SER 32 Cb 0.26 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3gzf n SER 32 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3gzf n THR 33 N -0.14 0.00 -0.86 6.66 -1.04 -1.01 -4.86 114.28 113.03 3gzf n THR 33 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3gzf n THR 33 Cb 0.77 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.28 3gzf n THR 33 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3gzf n SER 34 N -0.25 0.00 -0.64 8.00 3.41 -1.26 -4.19 113.62 118.69 3gzf n SER 34 Ca 0.00 0.00 0.48 0.00 -0.26 0.00 0.00 58.87 59.09 3gzf n SER 34 Cb 0.00 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 64.69 3gzf n SER 34 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3gzf n LEU 35 N 0.00 0.00 -0.01 1.04 7.94 -1.24 -0.33 117.00 124.40 3gzf n LEU 35 Ca 0.00 0.90 -0.12 0.00 -1.11 0.00 0.00 56.01 55.68 3gzf n LEU 35 Cb 0.00 -0.45 -0.10 0.00 0.53 0.00 0.00 43.42 43.41 3gzf n LEU 35 CO 0.00 -0.90 0.46 0.44 -1.11 0.00 0.00 177.39 176.28 3gzf h ASP 36 N 0.00 -0.07 -0.44 1.96 3.32 -1.94 -1.46 116.42 117.79 3gzf h ASP 36 Ca 0.85 -0.57 0.06 0.00 0.02 0.00 0.00 57.03 57.39 3gzf h ASP 36 Cb 3.41 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 42.92 3gzf h ASP 36 CO -0.01 0.59 0.15 0.03 -1.72 0.00 0.00 179.24 178.28 3gzf h ARG 37 N -0.78 0.31 -0.27 3.56 3.08 -0.84 -1.71 114.38 117.72 3gzf h ARG 37 Ca -0.01 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.08 3gzf h ARG 37 Cb 0.63 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 3gzf h ARG 37 CO 0.01 0.21 -0.08 0.82 -1.07 0.00 0.00 179.97 179.86 3gzf h ILE 38 N 0.32 0.69 -0.27 2.04 2.04 -1.58 0.12 117.51 120.88 3gzf h ILE 38 Ca 0.21 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.13 3gzf h ILE 38 Cb 0.20 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 3gzf h ILE 38 CO -0.21 0.00 -0.13 0.11 0.00 0.00 0.00 178.15 177.92 3gzf h LYS 39 N -0.02 -0.09 0.38 2.37 1.57 -0.89 0.22 116.57 120.10 3gzf h LYS 39 Ca 0.14 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3gzf h LYS 39 Cb 0.23 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3gzf h LYS 39 CO -0.30 -0.06 -0.50 0.66 -0.57 0.00 0.00 179.45 178.68 3gzf h SER 40 N -0.10 -1.42 -0.72 0.86 4.64 -0.35 -0.40 113.55 116.07 3gzf h SER 40 Ca 0.14 0.12 0.15 0.00 -0.47 0.00 0.00 61.79 61.74 3gzf h SER 40 Cb 0.31 0.48 -0.13 0.00 -0.31 0.00 0.00 62.40 62.75 3gzf h SER 40 CO -0.33 -0.62 -0.12 1.88 -0.87 0.00 0.00 176.83 176.77 3gzf h TYR 41 N -0.91 -0.27 -0.88 4.77 0.05 -0.46 0.78 116.97 120.06 3gzf h TYR 41 Ca -0.05 0.06 0.20 0.00 0.05 0.00 0.00 58.73 59.00 3gzf h TYR 41 Cb 0.82 0.23 -0.12 0.00 1.01 0.00 0.00 36.73 38.68 3gzf h TYR 41 CO -0.31 -0.29 0.39 0.00 -1.05 0.00 0.00 178.16 176.90 3gzf h ALA 42 N 1.71 1.37 -0.03 3.88 0.00 0.18 -2.11 119.26 124.27 3gzf h ALA 42 Ca 0.36 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 3gzf h ALA 42 Cb 0.59 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3gzf h ALA 42 CO -0.71 -0.29 0.01 -0.91 0.00 0.00 0.00 179.25 177.35 3gzf h ASN 43 N 0.44 0.03 -0.01 0.00 2.35 0.23 0.04 115.58 118.65 3gzf h ASN 43 Ca 0.53 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 3gzf h ASN 43 Cb 0.95 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.32 3gzf h ASN 43 CO -0.49 0.03 0.00 -1.54 -1.65 0.00 0.00 177.43 173.77 3gzf n SER 44 N -4.53 0.12 0.44 5.81 3.41 -0.79 -4.39 113.62 113.69 3gzf n SER 44 Ca -0.03 -1.45 -0.20 0.00 -0.26 0.00 0.00 58.87 56.94 3gzf n SER 44 Cb 0.09 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 3gzf n SER 44 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3gzf h PHE 45 N 0.16 -1.24 -0.57 7.33 3.04 -1.07 -2.65 116.94 121.94 3gzf h PHE 45 Ca 0.00 -0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.04 3gzf h PHE 45 Cb 0.03 0.43 -0.11 0.00 2.56 0.00 0.00 35.95 38.87 3gzf h PHE 45 CO 0.01 -0.71 -0.26 -0.91 -2.02 0.00 0.00 178.31 174.41 3gzf h ASN 46 N -1.19 -0.92 -0.84 0.41 2.35 -1.80 0.33 115.58 113.92 3gzf h ASN 46 Ca -0.11 0.21 0.12 0.00 -0.55 0.00 0.00 56.30 55.97 3gzf h ASN 46 Cb 0.94 0.49 -0.13 0.00 0.05 0.00 0.00 38.32 39.67 3gzf h ASN 46 CO 0.13 -0.27 -0.43 0.50 -1.65 0.00 0.00 177.43 175.70 3gzf h LYS 47 N -0.12 -0.08 -0.93 0.81 3.64 -1.83 -1.50 116.57 116.57 3gzf h LYS 47 Ca 0.25 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3gzf h LYS 47 Cb 0.52 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3gzf h LYS 47 CO -0.64 -0.05 0.00 0.66 -2.27 0.00 0.00 179.45 177.14 3gzf n TYR 48 N -5.41 0.00 -3.02 1.91 4.02 0.11 -5.19 117.16 109.59 3gzf n TYR 48 Ca 0.06 -0.07 -0.31 0.00 -0.01 0.00 0.00 57.90 57.57 3gzf n TYR 48 Cb 0.36 -0.11 -0.04 0.00 -0.02 0.00 0.00 39.34 39.53 3gzf n TYR 48 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3gzf n LYS 49 N 0.13 3.55 -0.26 -0.72 4.81 -0.57 -4.98 118.16 120.12 3gzf n LYS 49 Ca 0.00 -4.76 -0.09 0.00 -0.87 0.00 0.00 58.31 52.59 3gzf n LYS 49 Cb 0.26 -2.31 -0.00 0.00 0.02 0.00 0.00 35.03 33.00 3gzf n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gzf n GLY 53 N 0.20 -0.46 3.55 3.14 0.00 -1.26 -5.03 105.19 105.34 3gzf n GLY 53 Ca 0.33 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 3gzf n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gzf s SER 54 N -0.19 4.56 0.00 1.61 1.04 -1.26 -4.89 113.70 114.56 3gzf s SER 54 Ca 0.12 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.19 3gzf s SER 54 Cb -0.14 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.46 3gzf s SER 54 CO 0.12 -2.94 0.00 0.80 0.98 0.00 0.00 173.24 172.20 3gzf n MET 55 N 9.01 -0.41 0.00 4.02 0.00 -1.26 -5.05 117.12 123.43 3gzf n MET 55 Ca 0.35 0.42 0.00 0.00 0.00 0.00 0.00 57.70 58.47 3gzf n MET 55 Cb 0.52 -0.30 0.00 0.00 0.00 0.00 0.00 33.22 33.44 3gzf n MET 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gzf n GLY 56 N 1.44 0.71 0.00 -5.12 0.00 -1.26 -4.79 105.19 96.17 3gzf n GLY 56 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3gzf n GLY 56 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gzf n GLU 57 N 0.00 0.00 0.00 1.61 2.13 -1.26 -2.62 120.64 120.50 3gzf n GLU 57 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3gzf n GLU 57 Cb 0.00 -0.41 0.00 0.00 0.27 0.00 0.00 31.44 31.30 3gzf n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gzf n ALA 58 N -1.11 0.00 -0.19 4.31 0.00 -1.26 -1.32 120.51 120.94 3gzf n ALA 58 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3gzf n ALA 58 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 3gzf n ALA 58 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gzf h ASP 59 N 0.00 0.57 -0.04 0.00 3.32 -1.90 -2.30 116.42 116.07 3gzf h ASP 59 Ca 0.00 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3gzf h ASP 59 Cb 0.00 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3gzf h ASP 59 CO 0.00 0.40 0.00 0.22 -1.72 0.00 0.00 179.24 178.15 3gzf h TYR 60 N 0.69 0.00 -0.56 4.55 5.03 -0.95 0.52 116.97 126.24 3gzf h TYR 60 Ca 0.21 0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.64 3gzf h TYR 60 Cb -0.02 0.01 -0.11 0.00 1.55 0.00 0.00 36.73 38.16 3gzf h TYR 60 CO -0.05 -0.00 -0.22 -0.09 -1.32 0.00 0.00 178.16 176.48 3gzf h ARG 61 N 0.02 -0.08 -0.60 1.82 2.43 -0.76 0.30 114.38 117.52 3gzf h ARG 61 Ca 0.02 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3gzf h ARG 61 Cb 0.02 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 3gzf h ARG 61 CO -0.03 -0.05 0.35 0.52 -1.51 0.00 0.00 179.97 179.25 3gzf h MET 62 N -0.08 0.66 -0.75 0.20 2.86 -0.87 -0.00 114.93 116.94 3gzf h MET 62 Ca 0.26 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.93 3gzf h MET 62 Cb 0.48 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 3gzf h MET 62 CO -0.62 0.44 0.49 0.00 1.06 0.00 0.00 176.91 178.29 3gzf h ALA 63 N 1.28 1.69 0.71 6.32 0.00 0.16 0.57 119.26 129.98 3gzf h ALA 63 Ca 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3gzf h ALA 63 Cb 0.07 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gzf h ALA 63 CO -0.13 0.19 -0.34 0.00 0.00 0.00 0.00 179.25 178.97 3gzf h TYR 65 N -1.13 0.55 -0.55 0.00 0.99 -0.43 0.17 116.97 116.57 3gzf h TYR 65 Ca -0.10 0.04 -0.06 0.00 2.00 0.00 0.00 58.73 60.61 3gzf h TYR 65 Cb 0.76 -0.12 -0.02 0.00 1.00 0.00 0.00 36.73 38.35 3gzf h TYR 65 CO -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 178.16 178.27 3gzf h ALA 66 N 1.63 0.72 0.84 3.88 0.00 0.40 0.57 119.26 127.30 3gzf h ALA 66 Ca 0.48 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3gzf h ALA 66 Cb 0.83 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3gzf h ALA 66 CO -0.48 0.44 -0.45 1.25 0.00 0.00 0.00 179.25 180.02 3gzf h HIS 67 N 0.78 -1.18 -0.57 0.00 6.17 0.28 -1.62 115.15 119.01 3gzf h HIS 67 Ca 0.17 -0.02 0.12 0.00 0.71 0.00 0.00 60.37 61.34 3gzf h HIS 67 Cb 0.38 0.40 -0.10 0.00 2.52 0.00 0.00 27.41 30.61 3gzf h HIS 67 CO 0.03 -0.70 -0.09 1.25 0.71 0.00 0.00 177.93 179.12 3gzf h LEU 68 N -1.18 -0.44 -0.66 0.26 7.12 -0.78 -1.78 115.31 117.84 3gzf h LEU 68 Ca -0.11 0.16 0.06 0.00 0.13 0.00 0.00 57.88 58.12 3gzf h LEU 68 Cb 0.93 0.32 -0.09 0.00 -0.53 0.00 0.00 40.66 41.29 3gzf h LEU 68 CO 0.16 -0.16 -0.47 1.23 -0.13 0.00 0.00 178.44 179.07 3gzf h GLY 69 N 0.04 -1.21 0.73 3.75 0.00 -0.66 -0.87 103.07 104.84 3gzf h GLY 69 Ca 0.28 0.83 0.03 0.00 0.00 0.00 0.00 47.33 48.48 3gzf h GLY 69 CO -0.55 -0.19 0.04 1.70 0.00 0.00 0.00 176.54 177.54 3gzf h LYS 70 N -0.10 0.12 -0.49 4.80 3.64 -0.48 -1.54 116.57 122.52 3gzf h LYS 70 Ca 0.11 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.58 3gzf h LYS 70 Cb 0.38 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.07 3gzf h LYS 70 CO -0.67 0.08 -0.17 0.00 -2.27 0.00 0.00 179.45 176.42 3gzf h ALA 71 N 1.17 0.24 -0.38 5.00 0.00 -0.72 0.34 119.26 124.91 3gzf h ALA 71 Ca 0.10 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.23 3gzf h ALA 71 Cb 0.11 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3gzf h ALA 71 CO -0.15 -0.49 0.16 -0.07 0.00 0.00 0.00 179.25 178.71 3gzf h LEU 72 N -0.05 0.21 -1.09 0.00 3.38 -0.67 -0.18 115.31 116.91 3gzf h LEU 72 Ca 0.23 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3gzf h LEU 72 Cb 0.41 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3gzf h LEU 72 CO -0.53 0.16 0.58 0.24 0.09 0.00 0.00 178.44 178.98 3gzf h MET 73 N 0.34 1.19 -0.20 1.13 2.86 -0.01 -0.81 114.93 119.43 3gzf h MET 73 Ca 0.17 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3gzf h MET 73 Cb 0.12 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 3gzf h MET 73 CO -0.15 0.80 0.09 -0.44 1.06 0.00 0.00 176.91 178.28 3gzf h ASP 74 N 1.22 0.27 -0.95 1.22 3.32 0.24 -2.48 116.42 119.27 3gzf h ASP 74 Ca 0.33 -0.14 0.08 0.00 0.02 0.00 0.00 57.03 57.32 3gzf h ASP 74 Cb -0.12 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.29 3gzf h ASP 74 CO -0.07 0.33 0.60 0.22 -1.72 0.00 0.00 179.24 178.60 3gzf h TYR 75 N 0.19 1.10 -0.77 4.55 5.03 -0.54 -0.30 116.97 126.22 3gzf h TYR 75 Ca 0.07 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.39 3gzf h TYR 75 Cb 0.14 -0.35 -0.04 0.00 1.55 0.00 0.00 36.73 38.03 3gzf h TYR 75 CO -0.02 0.51 0.42 0.66 -1.32 0.00 0.00 178.16 178.41 3gzf h SER 76 N 1.03 0.96 0.32 -2.11 4.64 -0.83 -2.96 113.55 114.60 3gzf h SER 76 Ca 0.44 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 3gzf h SER 76 Cb 0.29 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3gzf h SER 76 CO -0.21 0.78 -0.15 0.58 -0.87 0.00 0.00 176.83 176.95 3gzf h VAL 77 N 1.08 0.60 -3.83 0.95 2.07 -0.73 -3.41 116.25 112.98 3gzf h VAL 77 Ca 0.27 -0.69 -0.67 0.00 0.82 0.00 0.00 66.70 66.43 3gzf h VAL 77 Cb 0.03 0.91 -0.37 0.00 -1.52 0.00 0.00 31.29 30.34 3gzf h VAL 77 CO -0.04 0.12 -0.80 -0.94 0.02 0.00 0.00 177.57 175.92 3gzf s SER 78 N -5.10 4.36 -0.15 0.57 1.04 -0.27 -5.00 113.70 109.15 3gzf s SER 78 Ca -0.13 -1.36 -0.04 0.00 0.48 0.00 0.00 55.95 54.90 3gzf s SER 78 Cb 0.02 -1.52 -0.13 0.00 0.10 0.00 0.00 66.02 64.49 3gzf s SER 78 CO 0.49 -0.19 2.17 0.54 0.98 0.00 0.00 173.24 177.24 3gzf n ARG 79 N 4.45 1.24 -3.26 4.02 5.12 -1.19 -4.37 116.66 122.67 3gzf n ARG 79 Ca -0.14 -0.69 -0.41 0.00 -1.93 0.00 0.00 57.85 54.68 3gzf n ARG 79 Cb 0.42 -1.88 -0.08 0.00 -1.16 0.00 0.00 32.46 29.76 3gzf n ARG 79 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3gzf s ASN 80 N 2.63 6.29 0.16 0.55 0.02 -1.26 -5.00 114.94 118.32 3gzf s ASN 80 Ca 0.37 -0.11 -0.33 0.00 -1.02 0.00 0.00 52.86 51.77 3gzf s ASN 80 Cb 0.16 -2.26 -0.16 0.00 0.02 0.00 0.00 41.25 39.01 3gzf s ASN 80 CO -0.01 -0.48 1.09 0.47 0.02 0.00 0.00 177.10 178.19 3gzf n ASP 81 N 5.71 0.94 -3.68 -1.22 8.00 -1.26 -4.87 116.55 120.18 3gzf n ASP 81 Ca -0.05 1.14 -0.14 0.00 0.71 0.00 0.00 54.79 56.45 3gzf n ASP 81 Cb 0.49 -1.16 -0.09 0.00 -0.02 0.00 0.00 41.12 40.34 3gzf n ASP 81 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3gzf s LYS 82 N -0.42 0.66 0.11 -1.24 2.20 -0.23 -4.98 119.74 115.84 3gzf s LYS 82 Ca 0.74 0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 56.68 3gzf s LYS 82 Cb -0.90 0.32 -0.06 0.00 -1.51 0.00 0.00 37.83 35.68 3gzf s LYS 82 CO 0.53 -0.10 1.04 -1.17 -0.36 0.00 0.00 175.35 175.29 3gzf s LEU 83 N 0.05 4.46 -0.13 5.43 2.96 -1.26 0.57 118.68 130.76 3gzf s LEU 83 Ca -0.02 1.89 -0.05 0.00 -0.22 0.00 0.00 54.13 55.73 3gzf s LEU 83 Cb -0.04 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 3gzf s LEU 83 CO 0.02 -0.19 0.06 -0.47 -1.32 0.00 0.00 176.35 174.44 3gzf s TYR 84 N 0.22 3.31 0.03 5.38 5.04 0.22 -4.87 117.35 126.69 3gzf s TYR 84 Ca 0.50 0.24 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 3gzf s TYR 84 Cb -0.26 -1.92 -0.03 0.00 0.35 0.00 0.00 41.96 40.11 3gzf s TYR 84 CO 0.31 0.44 -0.04 0.95 -1.34 0.00 0.00 175.55 175.87 3gzf s THR 85 N -0.53 0.23 0.85 4.34 -4.23 -1.26 -1.76 115.64 113.29 3gzf s THR 85 Ca 0.10 -1.20 -0.11 0.00 -1.18 0.00 0.00 61.69 59.31 3gzf s THR 85 Cb -0.12 -0.68 0.11 0.00 1.34 0.00 0.00 72.50 73.15 3gzf s THR 85 CO 0.02 -0.62 1.10 -2.84 -0.54 0.00 0.00 174.62 171.75 3gzf s PRO 86 N -2.16 1.56 0.54 3.99 0.02 -1.24 -4.95 135.00 132.76 3gzf s PRO 86 Ca -0.08 1.21 -0.21 0.00 0.02 0.00 0.00 61.00 61.94 3gzf s PRO 86 Cb -0.05 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.60 3gzf s PRO 86 CO -0.03 -2.14 1.21 -1.25 -0.33 0.00 0.00 177.00 174.46 3gzf s PRO 87 N -4.81 3.30 0.29 5.54 0.04 -1.26 -4.99 135.00 133.11 3gzf s PRO 87 Ca 0.64 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 3gzf s PRO 87 Cb -0.19 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 3gzf s PRO 87 CO 0.57 -0.95 1.06 0.99 0.04 0.00 0.00 177.00 178.71 3gzf s THR 88 N -1.55 3.64 0.18 1.26 2.01 -1.26 -5.06 115.64 114.85 3gzf s THR 88 Ca 0.71 1.60 0.04 0.00 0.31 0.00 0.00 61.69 64.35 3gzf s THR 88 Cb -0.31 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 3gzf s THR 88 CO 0.35 0.34 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.87 3gzf s VAL 89 N -1.24 1.08 -0.03 3.82 1.01 -1.26 -5.15 120.40 118.63 3gzf s VAL 89 Ca 0.45 -2.04 0.05 0.00 0.00 0.00 0.00 61.98 60.44 3gzf s VAL 89 Cb -0.29 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 3gzf s VAL 89 CO 0.37 -0.56 -0.18 -0.44 0.00 0.00 0.00 175.10 174.30 3gzf s SER 90 N -3.22 2.16 -0.14 3.32 0.01 -1.26 -5.13 113.70 109.44 3gzf s SER 90 Ca 0.22 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.11 3gzf s SER 90 Cb 0.04 -0.47 -0.02 0.00 0.21 0.00 0.00 66.02 65.78 3gzf s SER 90 CO 0.04 0.18 -0.08 -0.69 0.41 0.00 0.00 173.24 173.10 3gzf s VAL 91 N -0.14 3.47 -0.00 3.43 1.01 -1.26 -5.11 120.40 121.81 3gzf s VAL 91 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3gzf s VAL 91 Cb -0.10 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 3gzf s VAL 91 CO 0.01 0.51 -0.05 0.20 0.00 0.00 0.00 175.10 175.77 3gzf s ASN 92 N 0.34 0.63 1.31 3.32 0.01 -1.26 -5.15 114.94 114.15 3gzf s ASN 92 Ca -0.08 -0.11 -0.17 0.00 -0.71 0.00 0.00 52.86 51.80 3gzf s ASN 92 Cb -0.15 -0.07 0.26 0.00 0.41 0.00 0.00 41.25 41.70 3gzf s ASN 92 CO 0.04 0.06 0.66 -0.24 -1.51 0.00 0.00 177.10 176.11 3gzf n SER 93 N 2.92 -3.18 -2.70 -1.22 2.88 -1.26 -5.04 113.62 106.02 3gzf n SER 93 Ca -0.13 -0.71 -0.05 0.00 -1.33 0.00 0.00 58.87 56.65 3gzf n SER 93 Cb 0.58 -0.71 0.10 0.00 -0.75 0.00 0.00 64.21 63.43 3gzf n SER 93 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3gzf n THR 94 N -4.85 0.31 -0.57 2.46 -2.24 -1.26 -5.29 114.28 102.84 3gzf n THR 94 Ca 0.10 -1.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 3gzf n THR 94 Cb 0.43 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 3gzf n THR 94 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68