#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gzb n PHE 2 N 0.00 0.00 -4.49 1.61 3.72 -1.26 -5.30 117.46 111.75 3gzb n PHE 2 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 3gzb n PHE 2 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 3gzb n PHE 2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gzb s ALA 3 N -1.99 2.69 -0.08 4.37 0.00 -1.26 -5.15 121.76 120.34 3gzb s ALA 3 Ca 0.00 -1.98 0.03 0.00 0.00 0.00 0.00 51.96 50.00 3gzb s ALA 3 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3gzb s ALA 3 CO 0.00 0.05 -0.16 0.45 0.00 0.00 0.00 175.76 176.10 3gzb s SER 4 N -3.53 3.79 -0.17 0.00 0.15 -1.26 -5.11 113.70 107.57 3gzb s SER 4 Ca 0.31 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.63 3gzb s SER 4 Cb 0.02 -1.16 0.01 0.00 -1.71 0.00 0.00 66.02 63.17 3gzb s SER 4 CO 0.14 0.25 -0.16 -0.22 1.20 0.00 0.00 173.24 174.45 3gzb s LEU 5 N -0.15 2.37 -0.18 3.45 2.96 -1.26 -5.10 118.68 120.77 3gzb s LEU 5 Ca -0.02 -0.54 -0.24 0.00 -0.22 0.00 0.00 54.13 53.11 3gzb s LEU 5 Cb -0.14 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 3gzb s LEU 5 CO 0.03 0.03 0.77 -0.69 -1.32 0.00 0.00 176.35 175.18 3gzb s VAL 6 N 1.12 4.92 -0.03 1.68 1.01 -1.26 -5.05 120.40 122.79 3gzb s VAL 6 Ca 0.01 1.50 0.05 0.00 0.00 0.00 0.00 61.98 63.53 3gzb s VAL 6 Cb -0.14 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 3gzb s VAL 6 CO -0.06 0.04 -0.18 -0.51 0.00 0.00 0.00 175.10 174.40 3gzb s ILE 7 N 2.13 1.43 0.30 2.22 2.07 -1.26 -5.12 121.20 122.98 3gzb s ILE 7 Ca 0.35 -0.74 -0.29 0.00 -1.41 0.00 0.00 60.65 58.56 3gzb s ILE 7 Cb -0.16 -1.22 -0.10 0.00 0.13 0.00 0.00 42.46 41.11 3gzb s ILE 7 CO 0.11 0.41 1.36 -2.16 -1.91 0.00 0.00 174.94 172.75 3gzb s PRO 8 N -0.15 4.31 0.46 3.50 0.04 -1.26 -4.89 135.00 137.02 3gzb s PRO 8 Ca 0.01 2.25 0.20 0.00 0.04 0.00 0.00 61.00 63.50 3gzb s PRO 8 Cb -0.10 -3.09 1.12 0.00 0.04 0.00 0.00 34.50 32.48 3gzb s PRO 8 CO 0.01 -0.29 1.97 0.28 0.04 0.00 0.00 177.00 179.01 3gzb h VAL 9 N 3.24 0.87 -0.44 -0.36 2.07 -1.99 -0.30 116.25 119.33 3gzb h VAL 9 Ca -0.48 -0.79 0.11 0.00 0.82 0.00 0.00 66.70 66.36 3gzb h VAL 9 Cb 1.22 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 3gzb h VAL 9 CO 0.70 0.20 0.31 0.77 0.02 0.00 0.00 177.57 179.58 3gzb h SER 10 N 0.00 0.07 -0.52 0.57 4.64 -1.94 0.53 113.55 116.90 3gzb h SER 10 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3gzb h SER 10 Cb 0.45 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3gzb h SER 10 CO 0.03 0.04 -0.10 0.00 -0.87 0.00 0.00 176.83 175.93 3gzb h ALA 11 N 1.78 0.80 0.00 5.18 0.00 -1.42 -2.78 119.26 122.82 3gzb h ALA 11 Ca 0.21 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3gzb h ALA 11 Cb 0.73 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3gzb h ALA 11 CO -0.02 0.67 -0.23 1.96 0.00 0.00 0.00 179.25 181.63 3gzb h GLN 12 N 0.90 0.00 -0.02 0.00 4.20 -0.99 -3.26 115.11 115.94 3gzb h GLN 12 Ca 0.14 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.76 3gzb h GLN 12 Cb 0.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 3gzb h GLN 12 CO 0.05 0.23 -0.41 0.00 -0.67 0.00 0.00 178.83 178.03 3gzb h ALA 13 N 1.77 1.28 -0.61 3.87 0.00 -0.96 -2.87 119.26 121.73 3gzb h ALA 13 Ca -0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 3gzb h ALA 13 Cb 0.56 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3gzb h ALA 13 CO 0.03 0.53 0.10 0.09 0.00 0.00 0.00 179.25 180.00 3gzb n ASN 14 N -4.05 5.24 0.15 0.00 3.02 -1.23 -4.27 115.26 114.12 3gzb n ASN 14 Ca -0.02 -3.07 0.13 0.00 -0.03 0.00 0.00 54.58 51.59 3gzb n ASN 14 Cb 0.44 -0.70 0.36 0.00 -0.61 0.00 0.00 39.78 39.28 3gzb n ASN 14 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3gzb h SER 15 N 3.30 0.00 0.00 6.41 4.64 -1.66 -3.47 113.55 122.76 3gzb h SER 15 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3gzb h SER 15 Cb 2.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.18 3gzb h SER 15 CO 0.57 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 3gzb n GLY 16 N 1.04 1.44 2.75 -0.77 0.00 -1.26 -5.18 105.19 103.21 3gzb n GLY 16 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3gzb n GLY 16 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gzb n GLU 17 N -2.00 4.74 -4.19 1.61 -0.00 -1.26 -5.14 120.64 114.41 3gzb n GLU 17 Ca 0.00 -4.68 -0.33 0.00 -0.00 0.00 0.00 57.16 52.16 3gzb n GLU 17 Cb 0.00 -2.43 -0.08 0.00 -0.00 0.00 0.00 31.44 28.93 3gzb n GLU 17 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 3gzb s PRO 19 N -3.78 2.89 0.43 3.44 0.02 -1.26 -5.17 135.00 131.58 3gzb s PRO 19 Ca 0.39 -0.57 0.10 0.00 0.02 0.00 0.00 61.00 60.93 3gzb s PRO 19 Cb 0.17 -2.74 0.95 0.00 0.02 0.00 0.00 34.50 32.89 3gzb s PRO 19 CO -0.07 0.63 2.05 1.96 -0.33 0.00 0.00 177.00 181.23 3gzb h GLN 20 N 4.15 0.34 -0.39 5.54 1.08 -1.99 -1.50 115.11 122.34 3gzb h GLN 20 Ca -0.49 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 56.67 3gzb h GLN 20 Cb 1.18 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.52 3gzb h GLN 20 CO 0.60 0.27 0.19 0.93 -0.95 0.00 0.00 178.83 179.87 3gzb h GLU 21 N 0.34 0.56 -0.82 1.46 3.07 -1.99 -1.65 114.58 115.55 3gzb h GLU 21 Ca 0.09 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 3gzb h GLU 21 Cb 0.05 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.82 3gzb h GLU 21 CO -0.01 0.49 0.37 1.96 -1.40 0.00 0.00 179.01 180.42 3gzb h GLN 22 N 0.49 1.19 -0.75 2.33 4.20 -1.77 -2.14 115.11 118.66 3gzb h GLN 22 Ca 0.13 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.67 3gzb h GLN 22 Cb 0.12 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 3gzb h GLN 22 CO -0.02 0.93 0.49 1.96 -0.67 0.00 0.00 178.83 181.53 3gzb h GLN 23 N 1.17 0.97 -0.58 1.46 4.20 -0.92 -1.09 115.11 120.33 3gzb h GLN 23 Ca 0.28 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 3gzb h GLN 23 Cb 0.15 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3gzb h GLN 23 CO -0.03 0.64 0.07 1.25 -0.67 0.00 0.00 178.83 180.08 3gzb h LEU 24 N 1.00 0.94 -0.75 1.46 5.85 -1.15 -2.43 115.31 120.22 3gzb h LEU 24 Ca 0.28 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3gzb h LEU 24 Cb -0.09 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.62 3gzb h LEU 24 CO -0.07 0.98 0.41 0.00 -0.34 0.00 0.00 178.44 179.42 3gzb h ALA 25 N 0.99 1.05 -0.47 1.25 0.00 -0.83 -1.74 119.26 119.53 3gzb h ALA 25 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3gzb h ALA 25 Cb 0.46 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3gzb h ALA 25 CO 0.02 0.04 0.31 0.28 0.00 0.00 0.00 179.25 179.89 3gzb h VAL 26 N 0.70 1.12 -0.50 0.00 2.07 -0.89 -2.91 116.25 115.84 3gzb h VAL 26 Ca 0.36 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.67 3gzb h VAL 26 Cb 0.33 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3gzb h VAL 26 CO -0.24 0.12 0.33 0.11 0.02 0.00 0.00 177.57 177.90 3gzb h LYS 27 N 0.63 0.65 -0.23 1.57 1.57 -0.95 -0.68 116.57 119.14 3gzb h LYS 27 Ca 0.17 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3gzb h LYS 27 Cb -0.07 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.09 3gzb h LYS 27 CO -0.04 0.43 0.00 0.98 -0.57 0.00 0.00 179.45 180.25 3gzb n TYR 28 N -4.74 0.00 0.00 -1.35 9.36 -0.70 -1.74 117.16 117.98 3gzb n TYR 28 Ca 0.03 -0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 3gzb n TYR 28 Cb 0.03 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.72 3gzb n TYR 28 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3gzb n ASP 30 N 0.46 0.00 -0.15 2.98 8.00 -0.26 -0.88 116.55 126.69 3gzb n ASP 30 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 3gzb n ASP 30 Cb 0.04 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.15 3gzb n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gzb h ALA 31 N 0.00 0.59 0.05 2.24 0.00 -1.58 -2.04 119.26 118.51 3gzb h ALA 31 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gzb h ALA 31 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3gzb h ALA 31 CO 0.00 0.05 -0.03 1.25 0.00 0.00 0.00 179.25 180.52 3gzb h LEU 32 N 0.63 -0.08 -0.84 0.00 5.85 -1.28 -1.16 115.31 118.44 3gzb h LEU 32 Ca 0.17 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3gzb h LEU 32 Cb -0.05 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3gzb h LEU 32 CO -0.04 -0.05 0.00 0.71 -0.34 0.00 0.00 178.44 178.72 3gzb h THR 33 N -0.08 0.00 -0.09 1.05 1.35 -1.80 -1.98 112.91 111.35 3gzb h THR 33 Ca -0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3gzb h THR 33 Cb 0.07 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3gzb h THR 33 CO 0.00 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.65 3gzb n GLU 34 N -2.96 1.88 -2.93 4.72 1.02 -0.78 -2.22 120.64 119.38 3gzb n GLU 34 Ca 0.02 -1.30 -0.22 0.00 -0.02 0.00 0.00 57.16 55.64 3gzb n GLU 34 Cb 0.38 -1.46 0.03 0.00 -0.02 0.00 0.00 31.44 30.36 3gzb n GLU 34 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3gzb n HIS 35 N 0.55 -1.80 -2.91 -0.32 8.25 -0.75 -4.89 115.22 113.35 3gzb n HIS 35 Ca 0.17 0.43 -0.44 0.00 -0.26 0.00 0.00 57.72 57.62 3gzb n HIS 35 Cb 0.42 -4.31 -0.00 0.00 1.12 0.00 0.00 29.99 27.22 3gzb n HIS 35 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gzb s ASP 36 N -2.59 7.05 0.41 0.41 2.15 -0.49 -4.81 116.67 118.81 3gzb s ASP 36 Ca 0.26 -2.94 0.23 0.00 0.43 0.00 0.00 52.55 50.52 3gzb s ASP 36 Cb -0.11 -2.42 0.60 0.00 -0.30 0.00 0.00 42.92 40.69 3gzb s ASP 36 CO 0.32 -0.79 1.69 1.88 -0.17 0.00 0.00 175.17 178.10 3gzb h TYR 37 N 7.19 0.00 -0.69 -5.34 0.05 -1.91 0.10 116.97 116.38 3gzb h TYR 37 Ca 0.33 0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.12 3gzb h TYR 37 Cb 0.87 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.58 3gzb h TYR 37 CO 1.13 0.20 0.45 -0.22 -1.05 0.00 0.00 178.16 178.68 3gzb h LYS 38 N 0.00 0.90 0.01 4.88 3.64 -1.98 -1.40 116.57 122.61 3gzb h LYS 38 Ca -0.00 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.11 3gzb h LYS 38 Cb 0.95 -0.20 0.02 0.00 -0.41 0.00 0.00 32.23 32.59 3gzb h LYS 38 CO 0.03 0.59 -0.84 1.15 -2.27 0.00 0.00 179.45 178.11 3gzb h THR 39 N 0.93 1.35 -0.69 1.00 2.02 -1.88 -3.34 112.91 112.30 3gzb h THR 39 Ca 0.25 -2.18 0.04 0.00 0.77 0.00 0.00 66.41 65.30 3gzb h THR 39 Cb -0.10 2.51 -0.05 0.00 -1.74 0.00 0.00 68.15 68.77 3gzb h THR 39 CO -0.06 0.66 0.41 0.25 0.37 0.00 0.00 175.52 177.15 3gzb h LEU 40 N 0.15 0.65 -2.15 2.58 5.85 -0.77 -2.01 115.31 119.62 3gzb h LEU 40 Ca -0.11 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3gzb h LEU 40 Cb 1.53 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 3gzb h LEU 40 CO 0.17 0.44 -0.06 -0.29 -0.34 0.00 0.00 178.44 178.36 3gzb h ILE 41 N 0.79 0.68 0.00 4.05 2.10 -1.38 -1.03 117.51 122.72 3gzb h ILE 41 Ca 0.29 -0.23 -0.00 0.00 1.08 0.00 0.00 64.86 66.00 3gzb h ILE 41 Cb 0.10 1.14 -0.00 0.00 -1.09 0.00 0.00 36.82 36.97 3gzb h ILE 41 CO -0.14 0.06 -0.00 0.71 -1.08 0.00 0.00 178.15 177.69 3gzb h THR 42 N 0.00 0.02 -0.01 2.19 1.35 -1.49 -1.62 112.91 113.36 3gzb h THR 42 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3gzb h THR 42 Cb 0.14 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3gzb h THR 42 CO 0.01 0.00 -0.03 0.49 -0.25 0.00 0.00 175.52 175.74 3gzb n PHE 43 N -3.11 0.00 -4.42 4.73 3.01 -0.39 -4.83 117.46 112.45 3gzb n PHE 43 Ca -0.02 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.18 3gzb n PHE 43 Cb 0.14 -0.05 -0.11 0.00 -0.01 0.00 0.00 39.48 39.45 3gzb n PHE 43 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3gzb s TYR 44 N -2.13 2.26 0.04 1.38 2.02 -0.61 -0.15 117.35 120.16 3gzb s TYR 44 Ca 0.39 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 3gzb s TYR 44 Cb 0.21 -1.09 -0.00 0.00 -0.40 0.00 0.00 41.96 40.68 3gzb s TYR 44 CO 0.39 0.53 0.02 0.27 -1.57 0.00 0.00 175.55 175.18 3gzb n ASN 45 N 0.09 0.84 0.08 2.29 6.94 -1.26 -4.88 115.26 119.35 3gzb n ASN 45 Ca -0.11 -1.22 0.09 0.00 -0.02 0.00 0.00 54.58 53.31 3gzb n ASN 45 Cb 0.57 0.11 0.38 0.00 -2.36 0.00 0.00 39.78 38.49 3gzb n ASN 45 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3gzb n ARG 46 N -0.09 0.10 0.00 -3.83 1.85 -1.26 -1.34 116.66 112.09 3gzb n ARG 46 Ca -0.00 0.41 0.10 0.00 -1.00 0.00 0.00 57.85 57.35 3gzb n ARG 46 Cb 0.06 -1.72 0.01 0.00 -1.05 0.00 0.00 32.46 29.77 3gzb n ARG 46 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3gzb n ASP 47 N -1.91 2.00 -4.76 2.89 8.00 -1.26 -3.45 116.55 118.06 3gzb n ASP 47 Ca 0.02 -1.50 -0.39 0.00 0.71 0.00 0.00 54.79 53.63 3gzb n ASP 47 Cb 0.15 0.39 0.01 0.00 -0.02 0.00 0.00 41.12 41.65 3gzb n ASP 47 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gzb s SER 48 N -2.11 6.05 -0.11 -2.24 0.01 -0.96 -4.65 113.70 109.69 3gzb s SER 48 Ca 0.17 2.69 0.01 0.00 1.31 0.00 0.00 55.95 60.13 3gzb s SER 48 Cb 0.16 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 3gzb s SER 48 CO 0.45 -1.03 -0.16 -0.63 0.41 0.00 0.00 173.24 172.27 3gzb s ILE 49 N -1.29 2.82 -0.26 1.44 1.01 -0.57 -0.30 121.20 124.04 3gzb s ILE 49 Ca 0.61 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 3gzb s ILE 49 Cb -0.38 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 39.96 3gzb s ILE 49 CO 0.49 0.54 -0.02 0.12 0.00 0.00 0.00 174.94 176.07 3gzb s PHE 50 N 0.21 3.10 -0.26 3.97 5.36 -0.12 -0.73 117.98 129.51 3gzb s PHE 50 Ca -0.10 -1.42 0.01 0.00 -0.96 0.00 0.00 56.93 54.46 3gzb s PHE 50 Cb -0.16 -2.11 0.07 0.00 -0.34 0.00 0.00 43.02 40.48 3gzb s PHE 50 CO 0.06 -0.69 -0.02 0.12 -1.46 0.00 0.00 175.22 173.22 3gzb s PHE 51 N 1.37 2.60 -0.70 10.12 2.19 0.62 -0.47 117.98 133.70 3gzb s PHE 51 Ca 0.00 -2.00 -0.24 0.00 0.33 0.00 0.00 56.93 55.02 3gzb s PHE 51 Cb -0.17 -1.84 0.05 0.00 -1.31 0.00 0.00 43.02 39.75 3gzb s PHE 51 CO -0.02 -0.82 1.10 0.34 1.83 0.00 0.00 175.22 177.64 3gzb s ASP 52 N 1.32 6.18 0.22 6.13 -1.08 -0.25 -1.07 116.67 128.12 3gzb s ASP 52 Ca -0.01 -0.79 0.09 0.00 -0.52 0.00 0.00 52.55 51.31 3gzb s ASP 52 Cb -0.19 -2.48 0.18 0.00 -1.46 0.00 0.00 42.92 38.98 3gzb s ASP 52 CO -0.09 -1.60 1.51 0.11 0.52 0.00 0.00 175.17 175.62 3gzb h LYS 53 N 9.75 0.02 -0.05 4.34 1.57 -1.51 -0.60 116.57 130.08 3gzb h LYS 53 Ca -0.27 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.41 3gzb h LYS 53 Cb 1.06 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3gzb h LYS 53 CO 1.22 0.74 -0.31 1.79 -0.57 0.00 0.00 179.45 182.32 3gzb h THR 54 N 0.01 1.25 -0.01 -0.16 1.35 -1.90 -2.60 112.91 110.85 3gzb h THR 54 Ca -0.01 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3gzb h THR 54 Cb 1.30 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 3gzb h THR 54 CO 0.10 0.34 -0.41 0.00 -0.25 0.00 0.00 175.52 175.30 3gzb n ALA 55 N -2.48 3.40 -3.87 6.62 0.00 -1.02 -4.97 120.51 118.19 3gzb n ALA 55 Ca -0.02 -0.45 -0.28 0.00 0.00 0.00 0.00 53.44 52.69 3gzb n ALA 55 Cb 0.38 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3gzb n ALA 55 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gzb n ASN 56 N -0.78 -2.08 -3.85 0.00 5.15 -0.31 -5.00 115.26 108.39 3gzb n ASN 56 Ca 0.10 -1.02 -0.27 0.00 -0.60 0.00 0.00 54.58 52.79 3gzb n ASN 56 Cb 0.37 -3.11 -0.17 0.00 -0.53 0.00 0.00 39.78 36.34 3gzb n ASN 56 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3gzb s ARG 57 N -6.40 1.19 -0.23 1.20 0.52 -0.71 -5.04 118.95 109.48 3gzb s ARG 57 Ca 0.18 -0.33 -0.01 0.00 -0.52 0.00 0.00 55.73 55.05 3gzb s ARG 57 Cb -0.07 -1.73 0.02 0.00 0.52 0.00 0.00 34.95 33.70 3gzb s ARG 57 CO 0.88 -0.40 -0.10 0.21 0.02 0.00 0.00 175.30 175.91 3gzb s LYS 58 N 1.75 2.88 -0.14 3.54 2.20 -1.26 -1.09 119.74 127.61 3gzb s LYS 58 Ca 0.02 -0.94 -0.07 0.00 -0.36 0.00 0.00 55.97 54.63 3gzb s LYS 58 Cb -0.14 -2.87 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 3gzb s LYS 58 CO -0.07 -0.34 0.11 0.71 -0.36 0.00 0.00 175.35 175.39 3gzb s TYR 59 N 1.31 3.45 -0.12 4.03 1.51 0.38 -4.98 117.35 122.92 3gzb s TYR 59 Ca 0.01 0.37 0.02 0.00 -1.01 0.00 0.00 57.07 56.47 3gzb s TYR 59 Cb -0.16 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.71 3gzb s TYR 59 CO -0.07 0.51 -0.20 0.99 -1.11 0.00 0.00 175.55 175.68 3gzb s THR 60 N -0.48 1.85 0.00 -0.71 2.01 -1.26 -0.94 115.64 116.11 3gzb s THR 60 Ca 0.11 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.26 3gzb s THR 60 Cb -0.12 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.75 3gzb s THR 60 CO 0.02 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 3gzb n GLY 61 N 4.06 2.60 0.30 4.40 0.00 0.59 -4.74 105.19 112.39 3gzb n GLY 61 Ca -0.20 -1.22 0.08 0.00 0.00 0.00 0.00 46.02 44.69 3gzb n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gzb h GLY 62 N 0.00 1.30 1.42 -0.02 0.00 -1.42 -0.82 103.07 103.54 3gzb h GLY 62 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 3gzb h GLY 62 CO 0.00 -0.16 -0.14 3.21 0.00 0.00 0.00 176.54 179.45 3gzb h ARG 63 N 0.43 0.68 -0.33 4.80 3.08 -1.92 -0.44 114.38 120.68 3gzb h ARG 63 Ca 0.48 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 60.15 3gzb h ARG 63 Cb 0.80 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3gzb h ARG 63 CO -0.46 0.79 -0.40 0.74 -1.07 0.00 0.00 179.97 179.58 3gzb h PHE 64 N 0.62 0.96 -0.09 3.04 0.04 -1.58 -2.04 116.94 117.89 3gzb h PHE 64 Ca 0.10 -0.29 -0.01 0.00 2.80 0.00 0.00 57.97 60.58 3gzb h PHE 64 Cb 0.59 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 3gzb h PHE 64 CO 0.03 1.07 0.03 0.82 -0.60 0.00 0.00 178.31 179.66 3gzb h ILE 65 N 0.66 1.15 -0.48 -0.55 2.04 -0.82 -2.32 117.51 117.20 3gzb h ILE 65 Ca 0.05 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3gzb h ILE 65 Cb 0.96 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 3gzb h ILE 65 CO 0.09 0.13 0.31 0.40 0.00 0.00 0.00 178.15 179.08 3gzb h ILE 66 N -0.03 1.13 -0.59 -0.67 1.08 -1.05 -0.43 117.51 116.96 3gzb h ILE 66 Ca 0.03 -0.25 0.01 0.00 -0.39 0.00 0.00 64.86 64.26 3gzb h ILE 66 Cb 0.18 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.34 3gzb h ILE 66 CO -0.00 0.12 0.38 -0.78 -0.69 0.00 0.00 178.15 177.18 3gzb h ASP 67 N 0.64 0.65 -0.48 1.72 3.58 -1.34 -0.06 116.42 121.13 3gzb h ASP 67 Ca 0.17 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.62 3gzb h ASP 67 Cb -0.06 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 3gzb h ASP 67 CO -0.04 0.47 0.32 0.15 -2.88 0.00 0.00 179.24 177.26 3gzb h PHE 68 N 0.77 0.60 -0.22 0.28 3.57 -1.00 -1.66 116.94 119.28 3gzb h PHE 68 Ca 0.22 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 3gzb h PHE 68 Cb -0.06 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3gzb h PHE 68 CO -0.04 0.37 0.04 -0.07 -2.23 0.00 0.00 178.31 176.39 3gzb h LEU 69 N 0.64 0.35 -0.65 0.59 3.38 -0.85 0.17 115.31 118.94 3gzb h LEU 69 Ca 0.18 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3gzb h LEU 69 Cb -0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3gzb h LEU 69 CO -0.04 0.51 0.23 -0.08 0.09 0.00 0.00 178.44 179.14 3gzb h GLU 70 N 0.17 0.99 -0.41 1.13 4.81 -0.84 -1.43 114.58 119.00 3gzb h GLU 70 Ca 0.07 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 3gzb h GLU 70 Cb 0.30 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3gzb h GLU 70 CO 0.00 0.85 -0.15 0.00 -0.73 0.00 0.00 179.01 178.99 3gzb h ARG 71 N 0.92 0.82 -0.34 1.92 3.08 -1.20 -2.79 114.38 116.79 3gzb h ARG 71 Ca 0.21 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3gzb h ARG 71 Cb 0.26 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3gzb h ARG 71 CO -0.01 0.96 0.13 0.00 -1.07 0.00 0.00 179.97 179.98 3gzb h ALA 72 N 0.83 1.60 -0.66 0.04 0.00 -0.57 -2.94 119.26 117.56 3gzb h ALA 72 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gzb h ALA 72 Cb 0.69 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3gzb h ALA 72 CO 0.05 0.32 0.00 0.72 0.00 0.00 0.00 179.25 180.33 3gzb n HIS 73 N -4.40 1.30 -1.68 0.00 8.25 -0.57 -4.94 115.22 113.17 3gzb n HIS 73 Ca 0.02 -0.58 -0.52 0.00 -0.26 0.00 0.00 57.72 56.37 3gzb n HIS 73 Cb 0.14 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 3gzb n HIS 73 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3gzb n GLN 74 N 1.23 1.63 -0.40 -0.41 7.27 -1.06 -1.12 117.38 124.51 3gzb n GLN 74 Ca 0.25 0.60 0.00 0.00 0.07 0.00 0.00 57.00 57.91 3gzb n GLN 74 Cb 0.80 -2.34 0.00 0.00 2.41 0.00 0.00 30.24 31.11 3gzb n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gzb n GLY 75 N 4.01 1.67 3.70 1.69 0.00 -1.26 -4.79 105.19 110.20 3gzb n GLY 75 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3gzb n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gzb s VAL 76 N -3.21 4.93 0.86 1.61 1.01 -0.28 -4.62 120.40 120.70 3gzb s VAL 76 Ca 0.00 1.73 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 3gzb s VAL 76 Cb 0.00 -4.17 0.11 0.00 0.00 0.00 0.00 36.38 32.31 3gzb s VAL 76 CO 0.00 0.14 1.13 -0.76 0.00 0.00 0.00 175.10 175.61 3gzb s LEU 77 N 1.33 2.27 0.24 3.92 1.43 -1.26 -4.96 118.68 121.64 3gzb s LEU 77 Ca 0.43 1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 54.28 3gzb s LEU 77 Cb -0.18 -3.49 -0.15 0.00 0.03 0.00 0.00 46.19 42.39 3gzb s LEU 77 CO 0.19 -2.26 1.05 1.21 0.23 0.00 0.00 176.35 176.77 3gzb n GLU 78 N -3.59 1.24 -4.46 1.70 2.13 -1.26 -4.92 120.64 111.48 3gzb n GLU 78 Ca 0.07 0.44 -0.25 0.00 0.66 0.00 0.00 57.16 58.07 3gzb n GLU 78 Cb 0.58 -1.84 -0.10 0.00 0.27 0.00 0.00 31.44 30.36 3gzb n GLU 78 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 3gzb s TYR 79 N -0.71 2.46 0.04 4.31 1.13 -0.94 -4.71 117.35 118.93 3gzb s TYR 79 Ca 0.64 -0.47 0.07 0.00 -1.41 0.00 0.00 57.07 55.90 3gzb s TYR 79 Cb -0.76 -1.43 -0.03 0.00 -1.10 0.00 0.00 41.96 38.64 3gzb s TYR 79 CO 0.57 0.54 -0.18 -0.51 -2.51 0.00 0.00 175.55 173.46 3gzb s ASP 80 N -3.65 3.79 -0.38 -0.18 1.01 -0.39 -4.65 116.67 112.22 3gzb s ASP 80 Ca 0.33 -0.43 -0.07 0.00 0.71 0.00 0.00 52.55 53.09 3gzb s ASP 80 Cb 0.01 -0.60 0.06 0.00 1.01 0.00 0.00 42.92 43.40 3gzb s ASP 80 CO 0.18 0.25 0.17 0.12 0.21 0.00 0.00 175.17 176.10 3gzb s PHE 81 N -0.93 3.33 -0.56 4.23 5.36 -1.26 -0.53 117.98 127.61 3gzb s PHE 81 Ca 0.15 -1.61 -0.18 0.00 -0.96 0.00 0.00 56.93 54.32 3gzb s PHE 81 Cb -0.10 -2.65 0.10 0.00 -0.34 0.00 0.00 43.02 40.03 3gzb s PHE 81 CO 0.05 -0.81 0.63 -0.80 -1.46 0.00 0.00 175.22 172.83 3gzb s ASN 82 N 1.72 6.19 0.15 6.13 0.01 0.01 -4.95 114.94 124.18 3gzb s ASN 82 Ca 0.01 -1.46 -0.20 0.00 -0.71 0.00 0.00 52.86 50.50 3gzb s ASN 82 Cb -0.21 -2.27 -0.07 0.00 0.41 0.00 0.00 41.25 39.10 3gzb s ASN 82 CO 0.01 -1.01 0.66 0.27 -1.51 0.00 0.00 177.10 175.53 3gzb s ILE 83 N 2.36 4.61 -0.12 0.60 -4.36 -1.26 -1.32 121.20 121.70 3gzb s ILE 83 Ca 0.09 1.31 0.07 0.00 -0.26 0.00 0.00 60.65 61.87 3gzb s ILE 83 Cb -0.25 -3.93 -0.23 0.00 1.25 0.00 0.00 42.46 39.29 3gzb s ILE 83 CO 0.06 0.42 0.34 -0.62 0.24 0.00 0.00 174.94 175.38 3gzb n GLU 84 N 1.31 0.68 -4.01 0.37 -0.58 0.82 -4.96 120.64 114.27 3gzb n GLU 84 Ca -0.06 0.21 -0.14 0.00 -0.42 0.00 0.00 57.16 56.75 3gzb n GLU 84 Cb 0.50 -1.68 -0.02 0.00 -0.57 0.00 0.00 31.44 29.68 3gzb n GLU 84 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3gzb s HIS 85 N -2.55 0.86 0.00 -0.32 3.76 -0.97 -5.02 115.29 111.05 3gzb s HIS 85 Ca -0.15 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 53.55 3gzb s HIS 85 Cb 0.07 0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.93 3gzb s HIS 85 CO 0.78 -1.29 0.00 2.48 -0.85 0.00 0.00 174.74 175.86 3gzb n TYR 87 N -0.58 0.00 -3.85 1.40 4.11 -0.49 -0.93 117.16 116.82 3gzb n TYR 87 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.78 3gzb n TYR 87 Cb 0.61 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.86 3gzb n TYR 87 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3gzb s ASN 88 N 0.00 0.03 -0.35 9.48 4.22 -1.26 -0.54 114.94 126.51 3gzb s ASN 88 Ca 0.00 -0.33 0.02 0.00 -2.14 0.00 0.00 52.86 50.42 3gzb s ASN 88 Cb 0.00 0.27 0.10 0.00 1.28 0.00 0.00 41.25 42.91 3gzb s ASN 88 CO 0.00 -0.52 0.09 0.00 -2.04 0.00 0.00 177.10 174.62 3gzb s ALA 89 N -2.33 2.48 0.00 3.54 0.00 -0.07 -5.00 121.76 120.37 3gzb s ALA 89 Ca -0.07 -2.33 0.00 0.00 0.00 0.00 0.00 51.96 49.56 3gzb s ALA 89 Cb -0.02 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.22 3gzb s ALA 89 CO -0.03 -1.72 0.00 0.41 0.00 0.00 0.00 175.76 174.42 3gzb n GLY 90 N 4.32 3.33 0.39 0.00 0.00 -1.26 -1.55 105.19 110.42 3gzb n GLY 90 Ca 0.02 0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.11 3gzb n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gzb n SER 91 N 4.36 1.13 -4.49 1.61 3.41 -1.26 -4.68 113.62 113.70 3gzb n SER 91 Ca 0.00 -1.97 -0.41 0.00 -0.26 0.00 0.00 58.87 56.23 3gzb n SER 91 Cb 0.00 -0.14 -0.11 0.00 -0.26 0.00 0.00 64.21 63.71 3gzb n SER 91 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3gzb s LEU 92 N -1.05 4.65 -0.15 1.04 2.96 -0.59 -0.84 118.68 124.70 3gzb s LEU 92 Ca 0.16 -0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 53.39 3gzb s LEU 92 Cb 0.08 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3gzb s LEU 92 CO 0.11 -0.30 0.04 -0.69 -1.32 0.00 0.00 176.35 174.19 3gzb s VAL 93 N 1.68 4.63 0.47 1.68 1.01 0.23 -0.90 120.40 129.21 3gzb s VAL 93 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3gzb s VAL 93 Cb -0.18 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3gzb s VAL 93 CO 0.10 0.51 0.01 -0.69 0.00 0.00 0.00 175.10 175.03 3gzb s VAL 94 N -0.02 1.50 -0.30 2.92 1.01 0.29 -0.68 120.40 125.13 3gzb s VAL 94 Ca 0.05 -1.99 -0.16 0.00 0.00 0.00 0.00 61.98 59.88 3gzb s VAL 94 Cb -0.12 -2.49 0.19 0.00 0.00 0.00 0.00 36.38 33.96 3gzb s VAL 94 CO 0.01 0.00 1.19 -0.63 0.00 0.00 0.00 175.10 175.67 3gzb s ILE 96 N -2.81 -0.03 0.00 2.22 1.01 -0.11 -1.39 121.20 120.09 3gzb s ILE 96 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.83 3gzb s ILE 96 Cb 0.05 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.52 3gzb s ILE 96 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.64 3gzb n GLY 97 N 3.46 0.92 3.08 6.18 0.00 -0.63 -0.13 105.19 118.08 3gzb n GLY 97 Ca -0.16 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 3gzb n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gzb s ASN 98 N 2.00 1.79 -0.22 1.61 0.01 -0.43 -0.92 114.94 118.76 3gzb s ASN 98 Ca 0.00 -0.29 -0.18 0.00 -0.71 0.00 0.00 52.86 51.68 3gzb s ASN 98 Cb 0.00 -0.48 -0.03 0.00 0.41 0.00 0.00 41.25 41.15 3gzb s ASN 98 CO 0.00 0.12 0.52 -0.31 -1.51 0.00 0.00 177.10 175.92 3gzb s TYR 99 N 0.08 3.33 -0.30 2.20 2.02 0.28 -0.81 117.35 124.15 3gzb s TYR 99 Ca -0.03 0.73 -0.07 0.00 -0.37 0.00 0.00 57.07 57.32 3gzb s TYR 99 Cb -0.10 -2.70 0.01 0.00 -0.40 0.00 0.00 41.96 38.77 3gzb s TYR 99 CO 0.01 -0.18 0.10 -1.58 -1.57 0.00 0.00 175.55 172.34 3gzb s HIS 100 N 1.92 3.16 -0.12 2.71 5.65 0.31 -0.58 115.29 128.34 3gzb s HIS 100 Ca 0.23 -0.94 -0.00 0.00 0.25 0.00 0.00 55.06 54.60 3gzb s HIS 100 Cb -0.15 -2.28 -0.02 0.00 -1.18 0.00 0.00 32.58 28.95 3gzb s HIS 100 CO 0.09 -0.57 -0.10 -0.06 -0.65 0.00 0.00 174.74 173.45 3gzb s PHE 101 N 1.51 2.86 -0.03 3.88 0.40 -0.57 -1.26 117.98 124.77 3gzb s PHE 101 Ca 0.03 -0.42 -0.00 0.00 -0.60 0.00 0.00 56.93 55.93 3gzb s PHE 101 Cb -0.17 -1.82 0.03 0.00 0.51 0.00 0.00 43.02 41.56 3gzb s PHE 101 CO 0.03 -0.05 0.02 0.21 0.70 0.00 0.00 175.22 176.12 3gzb s LYS 102 N 0.07 0.19 0.00 0.44 2.20 -1.26 -0.99 119.74 120.39 3gzb s LYS 102 Ca -0.04 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 3gzb s LYS 102 Cb -0.14 -0.46 0.00 0.00 -1.51 0.00 0.00 37.83 35.71 3gzb s LYS 102 CO 0.04 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 3gzb n GLY 103 N 4.37 -0.17 3.64 5.54 0.00 -0.57 -4.66 105.19 113.35 3gzb n GLY 103 Ca -0.22 -1.52 -0.44 0.00 0.00 0.00 0.00 46.02 43.84 3gzb n GLY 103 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gzb n PRO 104 N 0.00 1.73 -0.23 1.61 -0.02 -1.26 -0.66 135.00 136.17 3gzb n PRO 104 Ca 0.00 0.61 0.11 0.00 -2.02 0.00 0.00 63.50 62.20 3gzb n PRO 104 Cb 0.00 -2.09 0.26 0.00 -0.02 0.00 0.00 33.50 31.65 3gzb n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gzb n GLY 105 N 1.09 1.64 0.25 -1.23 0.00 0.64 -4.59 105.19 102.98 3gzb n GLY 105 Ca 0.08 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.45 3gzb n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gzb h GLU 106 N 3.86 0.21 0.00 1.61 3.07 -1.82 0.41 114.58 121.93 3gzb h GLU 106 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3gzb h GLU 106 Cb 0.86 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 3gzb h GLU 106 CO 0.00 0.14 0.00 1.04 -1.40 0.00 0.00 179.01 178.79 3gzb n GLN 107 N -5.20 0.17 -0.43 2.33 1.13 -1.26 -2.54 117.38 111.58 3gzb n GLN 107 Ca 0.11 0.37 0.09 0.00 -1.94 0.00 0.00 57.00 55.63 3gzb n GLN 107 Cb 0.39 -1.80 0.29 0.00 0.11 0.00 0.00 30.24 29.24 3gzb n GLN 107 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3gzb n PHE 108 N -2.11 1.06 -1.30 1.08 3.72 -0.04 -4.94 117.46 114.92 3gzb n PHE 108 Ca 0.03 -0.57 -0.03 0.00 -0.05 0.00 0.00 57.45 56.83 3gzb n PHE 108 Cb 0.24 -0.12 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 3gzb n PHE 108 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gzb n GLY 109 N 1.04 0.53 2.52 1.37 0.00 -1.05 -4.96 105.19 104.63 3gzb n GLY 109 Ca 0.22 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 3gzb n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gzb n LYS 110 N -2.56 2.03 -1.84 1.61 4.76 -0.19 -5.01 118.16 116.96 3gzb n LYS 110 Ca -0.03 -4.10 -0.41 0.00 -2.87 0.00 0.00 58.31 50.90 3gzb n LYS 110 Cb 0.19 -1.93 -0.00 0.00 -1.84 0.00 0.00 35.03 31.45 3gzb n LYS 110 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3gzb s PRO 111 N -2.75 4.10 0.00 1.97 0.04 -1.26 -2.46 135.00 134.65 3gzb s PRO 111 Ca 0.43 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.00 3gzb s PRO 111 Cb 0.29 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.87 3gzb s PRO 111 CO -0.10 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.83 3gzb n GLY 112 N 0.50 0.72 3.54 0.56 0.00 -1.26 -4.93 105.19 104.33 3gzb n GLY 112 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3gzb n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gzb s LYS 113 N -0.17 1.87 -0.20 1.61 1.02 -1.03 -5.01 119.74 117.84 3gzb s LYS 113 Ca 0.00 -1.75 -0.10 0.00 0.02 0.00 0.00 55.97 54.14 3gzb s LYS 113 Cb 0.00 -1.84 -0.05 0.00 -0.52 0.00 0.00 37.83 35.42 3gzb s LYS 113 CO 0.00 0.26 0.13 0.42 -0.92 0.00 0.00 175.35 175.24 3gzb s ILE 114 N -2.51 5.36 0.25 2.17 -1.09 -1.26 -0.26 121.20 123.86 3gzb s ILE 114 Ca 0.32 0.17 0.09 0.00 -2.23 0.00 0.00 60.65 59.00 3gzb s ILE 114 Cb -0.03 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 3gzb s ILE 114 CO 0.17 0.43 0.04 0.27 -1.23 0.00 0.00 174.94 174.62 3gzb s ILE 115 N 0.45 3.70 -0.19 2.92 -5.25 0.16 -4.89 121.20 118.11 3gzb s ILE 115 Ca 0.08 -1.75 -0.04 0.00 -0.99 0.00 0.00 60.65 57.95 3gzb s ILE 115 Cb -0.11 -2.97 0.09 0.00 2.95 0.00 0.00 42.46 42.41 3gzb s ILE 115 CO -0.01 -0.34 0.21 -0.62 -1.79 0.00 0.00 174.94 172.39 3gzb s ASP 116 N -3.64 1.29 0.05 4.36 -1.08 -1.26 -1.51 116.67 114.89 3gzb s ASP 116 Ca 0.31 -0.14 0.04 0.00 -0.52 0.00 0.00 52.55 52.25 3gzb s ASP 116 Cb -0.07 0.37 -0.02 0.00 -1.46 0.00 0.00 42.92 41.74 3gzb s ASP 116 CO 0.21 -0.32 -0.12 0.68 0.52 0.00 0.00 175.17 176.14 3gzb s VAL 117 N 2.32 0.93 -0.23 1.11 -7.23 -0.16 -4.96 120.40 112.19 3gzb s VAL 117 Ca 0.06 -1.08 -0.01 0.00 -1.81 0.00 0.00 61.98 59.14 3gzb s VAL 117 Cb -0.15 -0.89 0.06 0.00 0.56 0.00 0.00 36.38 35.96 3gzb s VAL 117 CO -0.11 -0.16 0.00 0.00 -0.31 0.00 0.00 175.10 174.52 3gzb s ALA 118 N -1.08 1.49 -0.29 1.32 0.00 -1.26 -1.52 121.76 120.43 3gzb s ALA 118 Ca -0.02 -1.10 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 3gzb s ALA 118 Cb -0.09 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.70 3gzb s ALA 118 CO 0.01 -1.24 0.05 0.42 0.00 0.00 0.00 175.76 175.01 3gzb s ILE 119 N 1.62 3.76 0.48 0.00 1.01 0.26 -4.88 121.20 123.46 3gzb s ILE 119 Ca -0.02 -0.75 -0.24 0.00 0.00 0.00 0.00 60.65 59.64 3gzb s ILE 119 Cb -0.18 -2.94 -0.07 0.00 0.01 0.00 0.00 42.46 39.28 3gzb s ILE 119 CO -0.09 0.10 1.41 -2.84 0.00 0.00 0.00 174.94 173.52 3gzb s PRO 120 N 1.47 3.51 0.05 2.79 0.02 -1.26 -0.56 135.00 141.02 3gzb s PRO 120 Ca 0.02 2.37 -0.27 0.00 0.02 0.00 0.00 61.00 63.14 3gzb s PRO 120 Cb -0.17 -2.53 0.08 0.00 0.02 0.00 0.00 34.50 31.90 3gzb s PRO 120 CO 0.01 -0.94 0.70 0.00 -0.33 0.00 0.00 177.00 176.44 3gzb s ALA 121 N -1.23 -1.71 -0.07 -1.55 0.00 -0.10 -1.13 121.76 115.97 3gzb s ALA 121 Ca 0.64 0.88 0.04 0.00 0.00 0.00 0.00 51.96 53.52 3gzb s ALA 121 Cb -0.43 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3gzb s ALA 121 CO 0.54 -0.62 -0.20 0.08 0.00 0.00 0.00 175.76 175.56 3gzb s VAL 122 N -2.77 1.69 -0.09 0.00 1.01 -0.57 -1.60 120.40 118.08 3gzb s VAL 122 Ca -0.02 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3gzb s VAL 122 Cb -0.01 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.91 3gzb s VAL 122 CO -0.05 0.48 -0.14 -0.89 0.00 0.00 0.00 175.10 174.50 3gzb s THR 123 N 0.30 1.34 0.05 3.92 2.01 -1.26 -0.44 115.64 121.56 3gzb s THR 123 Ca -0.13 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 61.38 3gzb s THR 123 Cb -0.16 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 3gzb s THR 123 CO 0.06 0.41 -0.21 -0.94 -0.69 0.00 0.00 174.62 173.24 3gzb s SER 124 N 0.83 3.62 -0.09 3.53 1.04 -0.11 -4.46 113.70 118.06 3gzb s SER 124 Ca -0.11 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.85 3gzb s SER 124 Cb -0.15 -0.50 0.01 0.00 0.10 0.00 0.00 66.02 65.48 3gzb s SER 124 CO 0.01 0.25 -0.15 -0.76 0.98 0.00 0.00 173.24 173.57 3gzb s LEU 125 N -1.48 1.73 -0.26 2.42 1.43 0.14 -0.92 118.68 121.74 3gzb s LEU 125 Ca 0.14 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 3gzb s LEU 125 Cb -0.10 -1.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 3gzb s LEU 125 CO 0.05 0.04 0.18 -0.75 0.23 0.00 0.00 176.35 176.10 3gzb s LYS 126 N 0.76 4.01 0.01 1.70 2.47 0.32 -0.60 119.74 128.40 3gzb s LYS 126 Ca -0.12 -0.29 0.02 0.00 -1.56 0.00 0.00 55.97 54.03 3gzb s LYS 126 Cb -0.16 -3.61 -0.04 0.00 -1.46 0.00 0.00 37.83 32.57 3gzb s LYS 126 CO 0.02 -0.07 -0.00 -0.51 0.16 0.00 0.00 175.35 174.95 3gzb s LEU 127 N 1.45 3.50 0.37 5.43 1.43 -0.02 -0.64 118.68 130.20 3gzb s LEU 127 Ca 0.08 -0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 3gzb s LEU 127 Cb -0.15 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 3gzb s LEU 127 CO 0.08 0.26 0.41 -0.62 0.23 0.00 0.00 176.35 176.71 3gzb s ASP 128 N -1.69 5.46 0.00 2.29 -1.08 0.64 -4.82 116.67 117.47 3gzb s ASP 128 Ca 0.21 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 51.76 3gzb s ASP 128 Cb -0.12 -0.86 0.00 0.00 -1.46 0.00 0.00 42.92 40.48 3gzb s ASP 128 CO 0.12 -0.53 0.00 -0.11 0.52 0.00 0.00 175.17 175.16 3gzb n LEU 130 N -1.58 0.00 -0.89 -1.34 7.94 -1.26 -0.74 117.00 119.13 3gzb n LEU 130 Ca 0.02 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.04 3gzb n LEU 130 Cb 0.60 0.00 0.27 0.00 0.53 0.00 0.00 43.42 44.82 3gzb n LEU 130 CO 0.42 0.00 0.73 0.59 -1.11 0.00 0.00 177.39 178.01 3gzb n ASN 131 N 0.00 2.70 -3.68 1.96 3.02 -1.26 -4.96 115.26 113.05 3gzb n ASN 131 Ca 0.00 -1.88 -0.24 0.00 -0.03 0.00 0.00 54.58 52.44 3gzb n ASN 131 Cb 0.00 -0.15 0.06 0.00 -0.61 0.00 0.00 39.78 39.07 3gzb n ASN 131 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3gzb n ARG 132 N 1.02 -6.43 -4.28 3.52 0.63 0.08 -4.98 116.66 106.22 3gzb n ARG 132 Ca 0.18 0.73 -0.19 0.00 -0.92 0.00 0.00 57.85 57.64 3gzb n ARG 132 Cb 0.50 -5.63 -0.11 0.00 0.45 0.00 0.00 32.46 27.67 3gzb n ARG 132 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3gzb s ARG 133 N -6.15 1.12 -0.33 -0.14 0.52 -0.61 -4.55 118.95 108.81 3gzb s ARG 133 Ca 0.38 -1.31 -0.18 0.00 -0.52 0.00 0.00 55.73 54.10 3gzb s ARG 133 Cb -0.18 -1.07 -0.01 0.00 0.52 0.00 0.00 34.95 34.21 3gzb s ARG 133 CO 0.77 0.21 0.53 0.08 0.02 0.00 0.00 175.30 176.91 3gzb s VAL 134 N -2.13 5.01 0.03 3.52 1.01 0.79 -0.26 120.40 128.37 3gzb s VAL 134 Ca 0.12 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.64 3gzb s VAL 134 Cb -0.05 -3.95 -0.24 0.00 0.00 0.00 0.00 36.38 32.15 3gzb s VAL 134 CO 0.04 -0.16 0.93 0.71 0.00 0.00 0.00 175.10 176.62 3gzb h THR 135 N 5.57 1.24 -2.56 3.92 1.35 -1.16 -3.43 112.91 117.84 3gzb h THR 135 Ca -0.28 -2.98 -0.11 0.00 -0.55 0.00 0.00 66.41 62.49 3gzb h THR 135 Cb 1.13 2.67 -0.28 0.00 -1.73 0.00 0.00 68.15 69.94 3gzb h THR 135 CO 0.77 0.76 -0.39 -0.70 -0.25 0.00 0.00 175.52 175.71 3gzb s GLU 136 N -2.64 0.30 -0.27 4.72 2.12 -1.12 -1.51 118.70 120.30 3gzb s GLU 136 Ca -0.04 1.00 -0.08 0.00 0.36 0.00 0.00 54.97 56.21 3gzb s GLU 136 Cb 0.08 0.28 -0.01 0.00 0.26 0.00 0.00 34.13 34.74 3gzb s GLU 136 CO 0.83 -0.25 0.09 -1.58 -0.54 0.00 0.00 175.26 173.80 3gzb s HIS 137 N 2.56 3.12 -0.17 5.30 5.65 0.09 -0.52 115.29 131.32 3gzb s HIS 137 Ca -0.02 -0.63 -0.02 0.00 0.25 0.00 0.00 55.06 54.65 3gzb s HIS 137 Cb -0.12 -2.26 -0.01 0.00 -1.18 0.00 0.00 32.58 29.01 3gzb s HIS 137 CO -0.12 -0.45 -0.10 0.08 -0.65 0.00 0.00 174.74 173.51 3gzb s VAL 138 N 1.58 3.16 -0.10 0.89 1.01 -0.10 -0.28 120.40 126.56 3gzb s VAL 138 Ca 0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 3gzb s VAL 138 Cb -0.16 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3gzb s VAL 138 CO 0.04 0.49 -0.05 -1.81 0.00 0.00 0.00 175.10 173.76 3gzb s ASP 139 N 0.85 4.75 -0.42 3.32 1.01 -0.24 -0.94 116.67 125.00 3gzb s ASP 139 Ca -0.03 -0.05 0.03 0.00 0.71 0.00 0.00 52.55 53.22 3gzb s ASP 139 Cb -0.15 -1.43 0.12 0.00 1.01 0.00 0.00 42.92 42.47 3gzb s ASP 139 CO 0.01 0.29 0.17 -0.76 0.21 0.00 0.00 175.17 175.08 3gzb s LEU 140 N -0.38 4.06 -0.15 1.23 1.43 0.42 -1.44 118.68 123.85 3gzb s LEU 140 Ca 0.06 -2.53 -0.08 0.00 -1.03 0.00 0.00 54.13 50.55 3gzb s LEU 140 Cb -0.12 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 3gzb s LEU 140 CO 0.02 -0.31 0.11 -0.63 0.23 0.00 0.00 176.35 175.78 3gzb s ILE 141 N 0.40 5.28 -1.28 -0.59 -1.09 -1.26 -1.51 121.20 121.14 3gzb s ILE 141 Ca 0.14 0.13 -0.15 0.00 -2.23 0.00 0.00 60.65 58.54 3gzb s ILE 141 Cb -0.22 -3.34 0.11 0.00 -1.58 0.00 0.00 42.46 37.43 3gzb s ILE 141 CO -0.05 0.54 1.69 -0.67 -1.23 0.00 0.00 174.94 175.22 3gzb n ASP 142 N 2.69 4.95 0.10 3.58 2.03 -0.28 -4.81 116.55 124.81 3gzb n ASP 142 Ca -0.18 -2.95 0.01 0.00 0.52 0.00 0.00 54.79 52.19 3gzb n ASP 142 Cb 0.54 -1.66 0.34 0.00 -0.72 0.00 0.00 41.12 39.62 3gzb n ASP 142 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3gzb h TYR 143 N 7.12 0.28 -0.70 -0.67 0.05 -1.96 -2.89 116.97 118.20 3gzb h TYR 143 Ca 0.41 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 59.09 3gzb h TYR 143 Cb 0.83 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.46 3gzb h TYR 143 CO 1.30 0.45 0.20 0.37 -1.05 0.00 0.00 178.16 179.44 3gzb h GLN 144 N 0.25 1.10 -1.75 4.88 5.75 -2.00 0.41 115.11 123.74 3gzb h GLN 144 Ca 0.04 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.31 3gzb h GLN 144 Cb 0.49 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.88 3gzb h GLN 144 CO 0.03 0.95 0.00 2.41 -2.65 0.00 0.00 178.83 179.57 3gzb n THR 145 N -4.25 0.23 0.00 2.39 -1.04 -1.09 -0.84 114.28 109.68 3gzb n THR 145 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3gzb n THR 145 Cb 0.24 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 3gzb n THR 145 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3gzb n SER 147 N 0.88 0.00 -0.27 8.00 2.88 0.13 -1.93 113.62 123.31 3gzb n SER 147 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 3gzb n SER 147 Cb 0.11 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.63 3gzb n SER 147 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3gzb h ASP 148 N 0.00 1.01 -0.36 -3.46 3.32 -1.24 -0.50 116.42 115.19 3gzb h ASP 148 Ca 0.00 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.80 3gzb h ASP 148 Cb 0.00 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3gzb h ASP 148 CO 0.00 0.90 -0.13 1.56 -1.72 0.00 0.00 179.24 179.85 3gzb h GLN 149 N 1.06 0.72 -0.30 3.56 4.20 -1.66 -3.17 115.11 119.53 3gzb h GLN 149 Ca 0.25 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 3gzb h GLN 149 Cb 0.19 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3gzb h GLN 149 CO -0.02 0.89 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.91 3gzb h LEU 150 N 0.51 0.44 -4.03 1.46 3.38 -1.75 -3.29 115.31 112.03 3gzb h LEU 150 Ca 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gzb h LEU 150 Cb 0.65 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3gzb h LEU 150 CO 0.04 0.54 0.00 0.00 0.09 0.00 0.00 178.44 179.12 3gzb n ALA 151 N -2.48 1.42 0.00 1.53 0.00 -0.23 -5.10 120.51 115.66 3gzb n ALA 151 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3gzb n ALA 151 Cb 0.26 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3gzb n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54