#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gzf h LEU 1 N 0.00 0.00 -8.78 0.99 3.38 -1.96 -3.42 115.31 105.52 3gzf h LEU 1 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 3gzf h LEU 1 Cb 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.51 3gzf h LEU 1 CO 0.00 0.25 -0.86 -0.36 0.09 0.00 0.00 178.44 177.56 3gzf s PHE 2 N -3.12 2.15 -0.24 1.13 0.40 -1.26 -0.25 117.98 116.78 3gzf s PHE 2 Ca 0.03 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 3gzf s PHE 2 Cb 0.07 -1.21 0.06 0.00 0.51 0.00 0.00 43.02 42.45 3gzf s PHE 2 CO 0.75 0.23 -0.11 -2.00 0.70 0.00 0.00 175.22 174.79 3gzf s GLU 3 N -1.72 2.19 7.17 0.44 2.12 -1.13 -4.92 118.70 122.85 3gzf s GLU 3 Ca 0.11 -1.21 0.00 0.00 0.36 0.00 0.00 54.97 54.23 3gzf s GLU 3 Cb -0.10 -2.78 0.00 0.00 0.26 0.00 0.00 34.13 31.51 3gzf s GLU 3 CO 0.04 -0.53 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 3gzf n GLY 4 N 4.50 2.86 0.00 -1.50 0.00 -1.26 -3.37 105.19 106.42 3gzf n GLY 4 Ca -0.14 0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 10.05 0.94 -4.75 1.61 2.03 -1.26 -4.99 116.55 120.18 3gzf n ASP 5 Ca 0.00 -0.54 -0.32 0.00 0.52 0.00 0.00 54.79 54.45 3gzf n ASP 5 Cb 0.00 1.07 -0.07 0.00 -0.72 0.00 0.00 41.12 41.40 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 -1.85 2.93 0.38 -0.67 -2.85 -1.22 -5.08 119.74 111.38 3gzf s LYS 6 Ca 0.02 -0.58 -0.27 0.00 -1.00 0.00 0.00 55.97 54.13 3gzf s LYS 6 Cb 0.05 -2.77 -0.10 0.00 -2.06 0.00 0.00 37.83 32.96 3gzf s LYS 6 CO 0.30 0.62 1.34 0.12 0.10 0.00 0.00 175.35 177.83 3gzf s PHE 7 N -1.23 2.83 0.00 1.78 5.36 -1.26 -2.85 117.98 122.61 3gzf s PHE 7 Ca 0.24 1.36 0.00 0.00 -0.96 0.00 0.00 56.93 57.57 3gzf s PHE 7 Cb -0.12 -3.75 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 3gzf s PHE 7 CO 0.15 -2.21 0.00 0.28 -1.46 0.00 0.00 175.22 171.99 3gzf n VAL 8 N 0.38 0.00 -1.36 3.12 0.31 0.65 -4.89 118.33 116.55 3gzf n VAL 8 Ca 0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.01 3gzf n VAL 8 Cb 0.42 1.70 0.10 0.00 -0.91 0.00 0.00 33.84 35.15 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 2.24 0.93 2.92 0.00 -0.89 -4.97 107.32 107.55 3gzf s GLY 9 Ca 0.00 0.81 -0.14 0.00 0.00 0.00 0.00 44.72 45.39 3gzf s GLY 9 CO 0.00 1.21 1.17 -1.35 0.00 0.00 0.00 173.10 174.13 3gzf s SER 10 N -2.19 3.37 0.33 1.64 1.04 -1.26 -4.86 113.70 111.78 3gzf s SER 10 Ca 0.73 0.78 0.04 0.00 0.48 0.00 0.00 55.95 57.98 3gzf s SER 10 Cb -0.27 -1.22 0.59 0.00 0.10 0.00 0.00 66.02 65.21 3gzf s SER 10 CO 0.47 -2.62 1.86 0.15 0.98 0.00 0.00 173.24 174.08 3gzf h PHE 11 N -1.55 0.54 0.07 5.02 3.04 -1.93 -1.67 116.94 120.47 3gzf h PHE 11 Ca -0.48 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.41 3gzf h PHE 11 Cb 1.31 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.67 3gzf h PHE 11 CO -0.18 0.55 -0.04 0.93 -2.02 0.00 0.00 178.31 177.55 3gzf h GLU 12 N 0.49 -0.10 0.31 1.11 3.07 -1.99 0.53 114.58 118.01 3gzf h GLU 12 Ca 0.10 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.97 3gzf h GLU 12 Cb 0.36 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 3gzf h GLU 12 CO 0.01 0.45 -0.28 0.77 -1.40 0.00 0.00 179.01 178.57 3gzf h SER 13 N -0.75 -0.73 -0.71 1.42 0.02 -1.95 -2.73 113.55 108.12 3gzf h SER 13 Ca -0.01 0.06 0.14 0.00 -0.84 0.00 0.00 61.79 61.14 3gzf h SER 13 Cb 0.59 0.24 -0.13 0.00 0.14 0.00 0.00 62.40 63.24 3gzf h SER 13 CO 0.02 -0.41 -0.22 0.00 -1.14 0.00 0.00 176.83 175.08 3gzf h ALA 14 N -0.01 0.36 -0.66 3.77 0.00 -1.32 0.99 119.26 122.39 3gzf h ALA 14 Ca -0.02 0.26 0.19 0.00 0.00 0.00 0.00 54.91 55.34 3gzf h ALA 14 Cb 0.54 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3gzf h ALA 14 CO -0.04 -0.47 0.64 0.00 0.00 0.00 0.00 179.25 179.38 3gzf h ALA 15 N 1.57 2.46 -0.01 0.00 0.00 -0.56 0.23 119.26 122.95 3gzf h ALA 15 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3gzf h ALA 15 Cb 0.54 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3gzf h ALA 15 CO -0.75 -0.98 -0.59 -1.33 0.00 0.00 0.00 179.25 175.61 3gzf n MET 16 N -3.75 1.33 -1.01 0.00 2.81 0.31 -4.52 117.12 112.28 3gzf n MET 16 Ca 0.13 -0.50 0.00 0.00 -1.81 0.00 0.00 57.70 55.52 3gzf n MET 16 Cb 0.88 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 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 1.33 2.50 3.17 3.03 0.00 0.81 -4.63 105.19 111.41 3gzf n GLY 17 Ca 0.06 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 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 0.78 2.41 0.15 2.61 2.01 -1.26 -3.67 115.64 118.67 3gzf s THR 18 Ca 0.00 -0.82 -0.23 0.00 0.31 0.00 0.00 61.69 60.94 3gzf s THR 18 Cb 0.00 -2.03 0.07 0.00 0.01 0.00 0.00 72.50 70.55 3gzf s THR 18 CO 0.00 0.51 0.63 0.72 -0.69 0.00 0.00 174.62 175.79 3gzf s PHE 19 N 1.30 -0.51 -0.09 4.92 -0.71 -0.77 -4.99 117.98 117.12 3gzf s PHE 19 Ca 0.04 0.29 -0.22 0.00 -1.04 0.00 0.00 56.93 56.00 3gzf s PHE 19 Cb -0.13 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 3gzf s PHE 19 CO -0.10 -0.84 0.66 0.08 -1.34 0.00 0.00 175.22 173.69 3gzf s VAL 20 N -3.70 5.06 -0.41 -2.49 1.01 -1.26 0.46 120.40 119.07 3gzf s VAL 20 Ca 0.02 1.34 -0.27 0.00 0.00 0.00 0.00 61.98 63.07 3gzf s VAL 20 Cb -0.01 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.40 3gzf s VAL 20 CO -0.12 0.24 0.99 -0.63 0.00 0.00 0.00 175.10 175.58 3gzf s ILE 21 N 0.95 4.46 0.14 2.22 1.01 0.22 -4.75 121.20 125.44 3gzf s ILE 21 Ca 0.35 1.14 0.02 0.00 0.00 0.00 0.00 60.65 62.16 3gzf s ILE 21 Cb -0.17 -4.43 -0.01 0.00 0.01 0.00 0.00 42.46 37.86 3gzf s ILE 21 CO 0.16 -0.72 0.08 -0.90 0.00 0.00 0.00 174.94 173.56 3gzf n ASP 22 N 7.13 0.44 0.26 3.58 5.68 -1.26 -1.10 116.55 131.28 3gzf n ASP 22 Ca 0.09 -1.82 0.12 0.00 -0.50 0.00 0.00 54.79 52.68 3gzf n ASP 22 Cb 0.48 0.50 0.72 0.00 -1.14 0.00 0.00 41.12 41.68 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 -0.57 114.93 112.68 3gzf h MET 23 Ca -0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 59.70 59.27 3gzf h MET 23 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.06 3gzf h MET 23 CO 0.16 0.12 -1.58 0.00 -0.00 0.00 0.00 176.91 175.61 3gzf h ARG 24 N 0.00 0.31 -0.13 -0.10 3.08 -1.95 -1.63 114.38 113.96 3gzf h ARG 24 Ca -0.00 -0.54 -0.13 0.00 0.07 0.00 0.00 59.98 59.39 3gzf h ARG 24 Cb 0.32 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3gzf h ARG 24 CO 0.02 1.20 -0.41 0.66 -1.07 0.00 0.00 179.97 180.37 3gzf h SER 25 N 0.09 0.59 -0.39 7.04 4.64 -1.82 -1.99 113.55 121.70 3gzf h SER 25 Ca -0.27 -0.60 0.07 0.00 -0.47 0.00 0.00 61.79 60.52 3gzf h SER 25 Cb 2.05 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 63.91 3gzf h SER 25 CO 0.18 1.08 0.00 0.22 -0.87 0.00 0.00 176.83 177.44 3gzf h TYR 26 N 0.12 -0.02 -0.54 4.77 3.20 -1.21 0.01 116.97 123.31 3gzf h TYR 26 Ca -0.01 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.96 3gzf h TYR 26 Cb 1.03 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 39.30 3gzf h TYR 26 CO 0.11 -0.07 0.19 1.49 -1.64 0.00 0.00 178.16 178.24 3gzf h GLU 27 N 0.11 0.36 -0.08 1.82 4.81 -1.23 -1.43 114.58 118.94 3gzf h GLU 27 Ca 0.19 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3gzf h GLU 27 Cb 0.27 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 3gzf h GLU 27 CO -0.31 0.24 0.05 1.15 -0.73 0.00 0.00 179.01 179.41 3gzf h THR 28 N 0.37 1.03 0.38 0.32 2.02 -0.51 -2.48 112.91 114.04 3gzf h THR 28 Ca 0.26 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 3gzf h THR 28 Cb 0.30 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3gzf h THR 28 CO -0.27 0.03 -0.18 -0.07 0.37 0.00 0.00 175.52 175.39 3gzf h LEU 29 N 0.10 -0.43 -1.27 2.58 3.38 -0.78 -2.90 115.31 115.99 3gzf h LEU 29 Ca 0.03 -0.14 0.29 0.00 0.09 0.00 0.00 57.88 58.16 3gzf h LEU 29 Cb -0.00 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.75 3gzf h LEU 29 CO -0.01 -0.03 0.67 0.58 0.09 0.00 0.00 178.44 179.75 3gzf h VAL 30 N -0.91 0.44 -0.28 1.22 2.07 -1.33 0.49 116.25 117.95 3gzf h VAL 30 Ca -0.05 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3gzf h VAL 30 Cb 0.54 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3gzf h VAL 30 CO 0.09 0.07 0.00 0.59 0.02 0.00 0.00 177.57 178.33 3gzf n ASN 31 N -4.73 1.59 -0.97 0.57 3.02 -0.93 -3.61 115.26 110.20 3gzf n ASN 31 Ca 0.28 -1.94 0.03 0.00 -0.03 0.00 0.00 54.58 52.91 3gzf n ASN 31 Cb 0.95 -0.18 0.02 0.00 -0.61 0.00 0.00 39.78 39.96 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 0.35 0.65 0.00 6.41 3.41 0.17 -4.91 113.62 119.70 3gzf n SER 32 Ca 0.11 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 3gzf n SER 32 Cb 0.26 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.34 6.66 -1.04 -0.94 -4.85 114.28 113.92 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 0.91 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.42 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 -0.18 0.00 -0.58 8.00 3.41 -1.25 -4.22 113.62 118.80 3gzf n SER 34 Ca 0.00 0.00 0.44 0.00 -0.26 0.00 0.00 58.87 59.05 3gzf n SER 34 Cb 0.00 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 64.64 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 0.03 0.04 1.04 7.94 -1.24 -1.00 117.00 123.81 3gzf n LEU 35 Ca 0.00 0.92 -0.11 0.00 -1.11 0.00 0.00 56.01 55.71 3gzf n LEU 35 Cb 0.00 -0.46 -0.08 0.00 0.53 0.00 0.00 43.42 43.41 3gzf n LEU 35 CO 0.00 -0.94 0.43 0.44 -1.11 0.00 0.00 177.39 176.21 3gzf h ASP 36 N 0.00 -0.16 -0.63 1.96 3.32 -1.94 -1.09 116.42 117.89 3gzf h ASP 36 Ca 0.80 -0.40 0.09 0.00 0.02 0.00 0.00 57.03 57.55 3gzf h ASP 36 Cb 3.12 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 42.64 3gzf h ASP 36 CO -0.08 0.41 0.26 0.03 -1.72 0.00 0.00 179.24 178.14 3gzf h ARG 37 N -0.82 0.45 -0.33 3.56 3.08 -1.24 -1.53 114.38 117.54 3gzf h ARG 37 Ca -0.02 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.03 3gzf h ARG 37 Cb 0.54 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3gzf h ARG 37 CO 0.03 0.29 0.15 0.82 -1.07 0.00 0.00 179.97 180.19 3gzf h ILE 38 N 0.46 0.96 -0.30 2.04 2.04 -1.51 0.13 117.51 121.33 3gzf h ILE 38 Ca 0.32 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 66.13 3gzf h ILE 38 Cb 0.37 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3gzf h ILE 38 CO -0.29 0.06 -0.02 0.11 0.00 0.00 0.00 178.15 178.00 3gzf h LYS 39 N 0.31 0.06 0.40 2.37 1.57 -0.65 0.18 116.57 120.81 3gzf h LYS 39 Ca 0.14 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3gzf h LYS 39 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3gzf h LYS 39 CO -0.12 0.04 -0.41 0.66 -0.57 0.00 0.00 179.45 179.05 3gzf h SER 40 N 0.06 -1.14 -0.82 0.86 4.64 -0.28 0.18 113.55 117.05 3gzf h SER 40 Ca 0.14 0.09 0.16 0.00 -0.47 0.00 0.00 61.79 61.72 3gzf h SER 40 Cb 0.20 0.38 -0.16 0.00 -0.31 0.00 0.00 62.40 62.51 3gzf h SER 40 CO -0.26 -0.54 -0.21 1.88 -0.87 0.00 0.00 176.83 176.83 3gzf h TYR 41 N -0.82 -0.45 -0.64 4.77 0.05 -0.49 0.43 116.97 119.82 3gzf h TYR 41 Ca -0.05 0.07 0.13 0.00 0.05 0.00 0.00 58.73 58.93 3gzf h TYR 41 Cb 0.71 0.33 -0.10 0.00 1.01 0.00 0.00 36.73 38.68 3gzf h TYR 41 CO -0.23 -0.36 0.10 0.00 -1.05 0.00 0.00 178.16 176.63 3gzf h ALA 42 N 1.81 0.73 -0.70 3.88 0.00 0.21 -1.86 119.26 123.33 3gzf h ALA 42 Ca 0.39 0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.60 3gzf h ALA 42 Cb 0.60 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.50 3gzf h ALA 42 CO -0.85 -0.34 -0.23 -0.91 0.00 0.00 0.00 179.25 176.92 3gzf h ASN 43 N 0.21 -0.82 0.00 0.00 4.21 0.19 0.48 115.58 119.86 3gzf h ASN 43 Ca 0.34 0.22 0.00 0.00 1.21 0.00 0.00 56.30 58.07 3gzf h ASN 43 Cb 0.54 0.49 0.00 0.00 -1.12 0.00 0.00 38.32 38.23 3gzf h ASN 43 CO -0.47 -0.26 0.00 -1.54 -1.29 0.00 0.00 177.43 173.87 3gzf n SER 44 N -5.47 0.00 -0.27 5.81 3.41 -0.70 -3.92 113.62 112.48 3gzf n SER 44 Ca 0.08 -0.74 -0.02 0.00 -0.26 0.00 0.00 58.87 57.94 3gzf n SER 44 Cb 0.37 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.00 0.86 -0.53 7.33 3.04 -0.99 -2.37 116.94 124.28 3gzf h PHE 45 Ca 0.00 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.88 3gzf h PHE 45 Cb 0.00 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.21 3gzf h PHE 45 CO 0.00 0.47 -0.03 -0.91 -2.02 0.00 0.00 178.31 175.82 3gzf h ASN 46 N 0.88 0.95 -0.08 0.41 2.35 -1.83 1.85 115.58 120.11 3gzf h ASN 46 Ca 0.31 -0.32 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3gzf h ASN 46 Cb 0.08 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 3gzf h ASN 46 CO -0.14 1.04 0.64 0.50 -1.65 0.00 0.00 177.43 177.82 3gzf h LYS 47 N 0.83 0.00 0.00 0.81 3.64 -1.71 -3.02 116.57 117.11 3gzf h LYS 47 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3gzf h LYS 47 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3gzf h LYS 47 CO 0.03 0.00 -0.13 0.66 -2.27 0.00 0.00 179.45 177.74 3gzf n TYR 48 N -2.82 0.00 -0.32 1.91 4.02 0.18 -4.36 117.16 115.77 3gzf n TYR 48 Ca 0.01 0.00 0.20 0.00 -0.01 0.00 0.00 57.90 58.10 3gzf n TYR 48 Cb 0.69 0.00 0.41 0.00 -0.02 0.00 0.00 39.34 40.42 3gzf n TYR 48 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3gzf h LYS 49 N 0.00 0.29 0.00 -0.72 3.64 0.29 -2.50 116.57 117.56 3gzf h LYS 49 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3gzf h LYS 49 Cb 0.00 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 3gzf h LYS 49 CO 0.00 0.19 -0.44 0.66 -2.27 0.00 0.00 179.45 177.59 3gzf n TYR 50 N -5.10 0.00 -1.27 1.91 4.01 -1.26 -5.07 117.16 110.37 3gzf n TYR 50 Ca 0.28 -0.65 -0.49 0.00 -0.16 0.00 0.00 57.90 56.87 3gzf n TYR 50 Cb 0.87 -0.13 -0.07 0.00 -0.31 0.00 0.00 39.34 39.70 3gzf n TYR 50 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3gzf n TYR 51 N -0.55 1.16 -4.47 -0.72 9.36 -0.95 -4.89 117.16 116.11 3gzf n TYR 51 Ca 0.09 0.84 -0.21 0.00 3.32 0.00 0.00 57.90 61.94 3gzf n TYR 51 Cb 0.76 -1.64 -0.16 0.00 -0.63 0.00 0.00 39.34 37.67 3gzf n TYR 51 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 3gzf s THR 52 N 1.83 0.90 -1.88 2.97 -1.32 -1.26 -5.05 115.64 111.82 3gzf s THR 52 Ca 0.76 -0.42 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 3gzf s THR 52 Cb -1.09 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 69.11 3gzf s THR 52 CO 0.58 0.28 0.00 0.61 -2.21 0.00 0.00 174.62 173.87 3gzf n GLY 53 N 3.30 0.59 3.78 6.08 0.00 -1.26 -5.06 105.19 112.61 3gzf n GLY 53 Ca -0.18 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.30 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 -4.00 7.05 -0.12 1.61 1.04 -1.26 -5.05 113.70 112.97 3gzf s SER 54 Ca 0.00 1.25 -0.15 0.00 0.48 0.00 0.00 55.95 57.53 3gzf s SER 54 Cb 0.00 -2.38 -0.05 0.00 0.10 0.00 0.00 66.02 63.69 3gzf s SER 54 CO 0.00 0.15 0.35 -0.04 0.98 0.00 0.00 173.24 174.68 3gzf s MET 55 N -0.49 4.18 -0.36 4.02 1.00 -1.26 -5.06 119.30 121.33 3gzf s MET 55 Ca 0.31 0.22 -0.13 0.00 0.00 0.00 0.00 55.69 56.09 3gzf s MET 55 Cb -0.19 -3.38 -0.00 0.00 0.00 0.00 0.00 34.83 31.25 3gzf s MET 55 CO 0.19 0.32 0.25 0.20 0.00 0.00 0.00 175.02 175.97 3gzf s GLY 56 N 0.19 1.97 0.00 -0.03 0.00 -1.26 -4.89 107.32 103.30 3gzf s GLY 56 Ca 0.20 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.43 3gzf s GLY 56 CO 0.07 0.81 0.00 -2.21 0.00 0.00 0.00 173.10 171.77 3gzf n GLU 57 N 5.11 0.00 0.00 2.90 2.13 -1.26 -2.10 120.64 127.42 3gzf n GLU 57 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 3gzf n GLU 57 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.20 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 10.66 0.00 0.05 4.31 0.00 -1.26 -3.38 120.51 130.89 3gzf n ALA 58 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3gzf n ALA 58 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.10 0.00 3.32 -1.77 -2.74 116.42 115.91 3gzf h ASP 59 Ca 0.00 -0.42 0.01 0.00 0.02 0.00 0.00 57.03 56.64 3gzf h ASP 59 Cb 0.00 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 3gzf h ASP 59 CO 0.00 1.20 -0.46 0.22 -1.72 0.00 0.00 179.24 178.48 3gzf h TYR 60 N 0.28 -1.32 -0.97 4.55 3.20 -1.85 0.35 116.97 121.20 3gzf h TYR 60 Ca -0.06 0.04 0.11 0.00 3.14 0.00 0.00 58.73 61.95 3gzf h TYR 60 Cb 1.48 0.56 -0.13 0.00 1.54 0.00 0.00 36.73 40.18 3gzf h TYR 60 CO 0.06 -0.51 -0.53 -0.09 -1.64 0.00 0.00 178.16 175.44 3gzf h ARG 61 N -0.65 -0.02 -0.98 1.82 2.43 -1.82 -0.54 114.38 114.62 3gzf h ARG 61 Ca -0.01 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 3gzf h ARG 61 Cb 0.65 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.14 3gzf h ARG 61 CO -0.25 -0.01 0.63 0.52 -1.51 0.00 0.00 179.97 179.35 3gzf h MET 62 N -0.02 1.07 0.34 0.20 2.86 -1.09 0.18 114.93 118.48 3gzf h MET 62 Ca 0.21 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3gzf h MET 62 Cb 0.47 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3gzf h MET 62 CO -0.94 0.71 -0.41 0.00 1.06 0.00 0.00 176.91 177.33 3gzf h ALA 63 N 1.49 -0.85 0.08 6.32 0.00 0.13 0.34 119.26 126.77 3gzf h ALA 63 Ca 0.44 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.25 3gzf h ALA 63 Cb 0.25 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3gzf h ALA 63 CO -0.19 -1.02 -0.36 0.00 0.00 0.00 0.00 179.25 177.69 3gzf h TYR 65 N -0.56 0.51 -0.74 0.00 0.99 -0.51 0.49 116.97 117.15 3gzf h TYR 65 Ca 0.04 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 3gzf h TYR 65 Cb 0.61 -0.10 -0.04 0.00 1.00 0.00 0.00 36.73 38.20 3gzf h TYR 65 CO -0.33 0.00 0.44 0.00 -0.00 0.00 0.00 178.16 178.27 3gzf h ALA 66 N 1.61 0.94 -0.15 3.88 0.00 0.11 0.10 119.26 125.76 3gzf h ALA 66 Ca 0.46 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 3gzf h ALA 66 Cb 0.78 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3gzf h ALA 66 CO -0.46 0.42 -0.24 0.45 0.00 0.00 0.00 179.25 179.41 3gzf h HIS 67 N 1.01 0.52 -0.48 0.00 3.86 0.74 -1.84 115.15 118.96 3gzf h HIS 67 Ca 0.27 -0.18 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 3gzf h HIS 67 Cb -0.03 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.29 3gzf h HIS 67 CO -0.01 0.86 0.21 1.25 0.86 0.00 0.00 177.93 181.10 3gzf h LEU 68 N 0.03 0.27 -0.44 2.43 7.12 -0.93 -1.39 115.31 122.40 3gzf h LEU 68 Ca 0.01 0.04 0.05 0.00 0.13 0.00 0.00 57.88 58.12 3gzf h LEU 68 Cb 0.82 -0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.86 3gzf h LEU 68 CO 0.05 0.19 -0.55 1.23 -0.13 0.00 0.00 178.44 179.23 3gzf h GLY 69 N 0.42 -0.97 0.69 3.75 0.00 -0.79 -0.82 103.07 105.34 3gzf h GLY 69 Ca 0.22 0.71 0.04 0.00 0.00 0.00 0.00 47.33 48.31 3gzf h GLY 69 CO -0.19 -0.11 0.10 1.70 0.00 0.00 0.00 176.54 178.04 3gzf h LYS 70 N -0.37 0.22 -0.49 4.80 3.64 -0.79 -1.27 116.57 122.31 3gzf h LYS 70 Ca 0.08 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3gzf h LYS 70 Cb 0.59 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.28 3gzf h LYS 70 CO -0.62 0.15 0.00 0.00 -2.27 0.00 0.00 179.45 176.71 3gzf h ALA 71 N 1.22 0.46 -0.37 5.00 0.00 -0.26 0.32 119.26 125.62 3gzf h ALA 71 Ca 0.15 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3gzf h ALA 71 Cb 0.14 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3gzf h ALA 71 CO -0.17 -0.38 0.23 -0.07 0.00 0.00 0.00 179.25 178.86 3gzf h LEU 72 N 0.12 0.44 -0.99 0.00 3.38 -0.72 -0.38 115.31 117.16 3gzf h LEU 72 Ca 0.24 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.22 3gzf h LEU 72 Cb 0.36 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3gzf h LEU 72 CO -0.40 0.35 0.65 0.24 0.09 0.00 0.00 178.44 179.36 3gzf h MET 73 N 0.50 1.21 -0.39 1.13 2.86 0.11 -1.02 114.93 119.32 3gzf h MET 73 Ca 0.14 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3gzf h MET 73 Cb -0.02 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.35 3gzf h MET 73 CO -0.03 0.80 0.19 -0.44 1.06 0.00 0.00 176.91 178.49 3gzf h ASP 74 N 1.24 0.51 -0.79 1.22 3.32 0.09 -2.35 116.42 119.67 3gzf h ASP 74 Ca 0.40 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.36 3gzf h ASP 74 Cb 0.02 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 3gzf h ASP 74 CO -0.13 0.49 0.52 0.22 -1.72 0.00 0.00 179.24 178.61 3gzf h TYR 75 N 0.49 0.93 -0.57 4.55 5.03 -0.50 -0.43 116.97 126.48 3gzf h TYR 75 Ca 0.13 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.40 3gzf h TYR 75 Cb 0.11 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.05 3gzf h TYR 75 CO -0.02 0.54 0.09 0.66 -1.32 0.00 0.00 178.16 178.12 3gzf h SER 76 N 0.96 0.86 0.28 -2.11 4.64 -0.69 -3.00 113.55 114.49 3gzf h SER 76 Ca 0.31 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 3gzf h SER 76 Cb 0.05 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3gzf h SER 76 CO -0.09 0.87 -0.14 0.58 -0.87 0.00 0.00 176.83 177.18 3gzf h VAL 77 N 0.86 0.68 -3.78 0.95 2.07 -0.79 -3.41 116.25 112.83 3gzf h VAL 77 Ca 0.18 -0.75 -0.66 0.00 0.82 0.00 0.00 66.70 66.29 3gzf h VAL 77 Cb 0.38 1.04 -0.38 0.00 -1.52 0.00 0.00 31.29 30.80 3gzf h VAL 77 CO 0.01 0.14 -0.78 -0.94 0.02 0.00 0.00 177.57 176.01 3gzf s SER 78 N -5.17 4.40 -0.15 0.57 1.04 -0.30 -5.00 113.70 109.08 3gzf s SER 78 Ca -0.13 -1.51 -0.03 0.00 0.48 0.00 0.00 55.95 54.75 3gzf s SER 78 Cb 0.02 -1.49 -0.11 0.00 0.10 0.00 0.00 66.02 64.54 3gzf s SER 78 CO 0.50 -0.24 1.95 0.54 0.98 0.00 0.00 173.24 176.97 3gzf n ARG 79 N 4.45 1.09 -3.28 4.02 5.12 -1.19 -4.43 116.66 122.44 3gzf n ARG 79 Ca -0.10 -0.63 -0.41 0.00 -1.93 0.00 0.00 57.85 54.77 3gzf n ARG 79 Cb 0.42 -1.86 -0.08 0.00 -1.16 0.00 0.00 32.46 29.78 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 2.77 6.28 0.16 0.55 0.02 -1.26 -5.00 114.94 118.46 3gzf s ASN 80 Ca 0.31 -0.11 -0.33 0.00 -1.02 0.00 0.00 52.86 51.72 3gzf s ASN 80 Cb 0.14 -2.25 -0.16 0.00 0.02 0.00 0.00 41.25 38.99 3gzf s ASN 80 CO -0.01 -0.46 1.11 0.47 0.02 0.00 0.00 177.10 178.24 3gzf n ASP 81 N 5.66 1.04 -3.68 -1.22 8.00 -1.26 -4.87 116.55 120.22 3gzf n ASP 81 Ca -0.06 1.14 -0.14 0.00 0.71 0.00 0.00 54.79 56.44 3gzf n ASP 81 Cb 0.49 -1.17 -0.08 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 -0.38 0.71 0.03 -1.24 2.20 -0.26 -4.98 119.74 115.82 3gzf s LYS 82 Ca 0.74 0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 56.47 3gzf s LYS 82 Cb -0.90 0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 35.72 3gzf s LYS 82 CO 0.53 -0.15 1.02 -1.17 -0.36 0.00 0.00 175.35 175.22 3gzf s LEU 83 N -0.40 4.39 -0.16 5.43 2.96 -1.26 0.71 118.68 130.36 3gzf s LEU 83 Ca -0.05 1.76 -0.08 0.00 -0.22 0.00 0.00 54.13 55.54 3gzf s LEU 83 Cb -0.03 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 3gzf s LEU 83 CO 0.03 -0.27 0.12 -0.47 -1.32 0.00 0.00 176.35 174.44 3gzf s TYR 84 N 0.85 3.46 0.02 5.38 5.04 0.17 -4.87 117.35 127.40 3gzf s TYR 84 Ca 0.53 0.38 -0.00 0.00 -2.44 0.00 0.00 57.07 55.53 3gzf s TYR 84 Cb -0.23 -2.03 -0.02 0.00 0.35 0.00 0.00 41.96 40.03 3gzf s TYR 84 CO 0.29 0.48 -0.02 0.95 -1.34 0.00 0.00 175.55 175.90 3gzf s THR 85 N -0.32 0.11 0.76 4.34 -4.23 -1.26 -1.85 115.64 113.18 3gzf s THR 85 Ca 0.11 -0.92 -0.12 0.00 -1.18 0.00 0.00 61.69 59.58 3gzf s THR 85 Cb -0.12 -0.29 0.05 0.00 1.34 0.00 0.00 72.50 73.48 3gzf s THR 85 CO 0.01 -0.51 1.10 -2.84 -0.54 0.00 0.00 174.62 171.85 3gzf s PRO 86 N -1.51 2.27 0.90 3.99 0.02 -1.24 -4.98 135.00 134.45 3gzf s PRO 86 Ca -0.15 1.27 -0.11 0.00 0.02 0.00 0.00 61.00 62.03 3gzf s PRO 86 Cb -0.10 -1.89 0.13 0.00 0.02 0.00 0.00 34.50 32.66 3gzf s PRO 86 CO -0.01 -1.65 1.10 -1.25 -0.33 0.00 0.00 177.00 174.86 3gzf s PRO 87 N -4.66 1.22 -0.04 5.54 0.04 -1.26 -4.98 135.00 130.86 3gzf s PRO 87 Ca 0.63 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 3gzf s PRO 87 Cb -0.19 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 3gzf s PRO 87 CO 0.52 -2.36 0.94 0.99 0.04 0.00 0.00 177.00 177.14 3gzf s THR 88 N -2.78 4.87 -0.41 1.26 2.01 -1.26 -5.00 115.64 114.33 3gzf s THR 88 Ca 0.64 1.96 -0.01 0.00 0.31 0.00 0.00 61.69 64.59 3gzf s THR 88 Cb -0.20 -4.27 0.11 0.00 0.01 0.00 0.00 72.50 68.15 3gzf s THR 88 CO 0.58 0.13 0.18 -0.69 -0.69 0.00 0.00 174.62 174.12 3gzf s VAL 89 N 1.28 3.00 0.27 3.82 1.01 -1.26 -5.09 120.40 123.43 3gzf s VAL 89 Ca 0.49 -2.24 0.11 0.00 0.00 0.00 0.00 61.98 60.34 3gzf s VAL 89 Cb -0.20 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 3gzf s VAL 89 CO 0.24 -0.68 -0.18 -0.94 0.00 0.00 0.00 175.10 173.53 3gzf s SER 90 N 1.42 3.45 0.00 3.32 1.04 -1.26 -5.27 113.70 116.40 3gzf s SER 90 Ca 0.10 -1.04 0.18 0.00 0.48 0.00 0.00 55.95 55.67 3gzf s SER 90 Cb -0.22 -0.28 0.14 0.00 0.10 0.00 0.00 66.02 65.77 3gzf s SER 90 CO -0.05 -0.01 1.08 0.52 0.98 0.00 0.00 173.24 175.76