#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 -4.47 1.61 3.72 -1.26 -5.30 117.46 111.77 3gzb n PHE 2 Ca 0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 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 -2.00 2.96 -0.12 4.37 0.00 -1.26 -5.15 121.76 120.57 3gzb s ALA 3 Ca 0.00 -1.98 0.01 0.00 0.00 0.00 0.00 51.96 49.99 3gzb s ALA 3 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 3gzb s ALA 3 CO 0.00 0.15 -0.15 0.45 0.00 0.00 0.00 175.76 176.21 3gzb s SER 4 N -3.61 3.87 -0.14 0.00 0.15 -1.26 -5.11 113.70 107.60 3gzb s SER 4 Ca 0.32 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.62 3gzb s SER 4 Cb -0.01 -1.49 -0.01 0.00 -1.71 0.00 0.00 66.02 62.80 3gzb s SER 4 CO 0.17 0.18 -0.12 -0.22 1.20 0.00 0.00 173.24 174.46 3gzb s LEU 5 N 0.23 2.75 -0.20 3.45 2.96 -1.26 -5.09 118.68 121.51 3gzb s LEU 5 Ca -0.10 -0.33 -0.22 0.00 -0.22 0.00 0.00 54.13 53.26 3gzb s LEU 5 Cb -0.16 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 3gzb s LEU 5 CO 0.06 0.14 0.69 -0.69 -1.32 0.00 0.00 176.35 175.22 3gzb s VAL 6 N 0.52 4.97 -0.03 1.68 1.01 -1.26 -5.05 120.40 122.23 3gzb s VAL 6 Ca -0.08 1.30 0.03 0.00 0.00 0.00 0.00 61.98 63.23 3gzb s VAL 6 Cb -0.16 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3gzb s VAL 6 CO 0.04 0.06 -0.11 -0.51 0.00 0.00 0.00 175.10 174.58 3gzb s ILE 7 N 2.13 0.96 0.31 2.22 2.07 -1.26 -5.12 121.20 122.52 3gzb s ILE 7 Ca 0.31 -0.45 -0.29 0.00 -1.41 0.00 0.00 60.65 58.81 3gzb s ILE 7 Cb -0.16 -0.85 -0.11 0.00 0.13 0.00 0.00 42.46 41.47 3gzb s ILE 7 CO 0.10 0.29 1.47 -2.16 -1.91 0.00 0.00 174.94 172.74 3gzb s PRO 8 N 0.22 4.19 0.46 3.50 0.04 -1.26 -4.88 135.00 137.27 3gzb s PRO 8 Ca -0.05 2.45 0.14 0.00 0.04 0.00 0.00 61.00 63.59 3gzb s PRO 8 Cb -0.10 -3.03 1.03 0.00 0.04 0.00 0.00 34.50 32.43 3gzb s PRO 8 CO 0.01 -0.48 2.01 0.28 0.04 0.00 0.00 177.00 178.87 3gzb h VAL 9 N 3.24 1.11 -0.54 -0.36 2.07 -1.99 -0.52 116.25 119.25 3gzb h VAL 9 Ca -0.48 -0.53 0.13 0.00 0.82 0.00 0.00 66.70 66.64 3gzb h VAL 9 Cb 1.23 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 3gzb h VAL 9 CO 0.72 0.15 0.38 0.77 0.02 0.00 0.00 177.57 179.61 3gzb h SER 10 N 0.02 0.14 1.32 0.57 4.64 -1.94 -0.13 113.55 118.17 3gzb h SER 10 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3gzb h SER 10 Cb 0.27 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3gzb h SER 10 CO 0.02 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 3gzb h ALA 11 N 1.73 1.00 0.00 5.18 0.00 -1.45 -3.12 119.26 122.60 3gzb h ALA 11 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3gzb h ALA 11 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3gzb h ALA 11 CO -0.04 0.00 -1.19 1.04 0.00 0.00 0.00 179.25 179.06 3gzb n GLN 12 N -2.50 0.52 0.26 0.00 6.02 -0.16 -4.58 117.38 116.94 3gzb n GLN 12 Ca 0.04 0.03 0.11 0.00 -0.01 0.00 0.00 57.00 57.17 3gzb n GLN 12 Cb 0.38 -1.70 0.71 0.00 1.02 0.00 0.00 30.24 30.65 3gzb n GLN 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gzb h ALA 13 N 2.16 1.41 -0.46 -1.58 0.00 -1.22 -2.56 119.26 117.00 3gzb h ALA 13 Ca 0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 3gzb h ALA 13 Cb 0.92 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 3gzb h ALA 13 CO 0.00 0.15 0.08 0.09 0.00 0.00 0.00 179.25 179.57 3gzb n ASN 14 N -3.82 3.44 0.29 0.00 3.02 -1.26 -4.58 115.26 112.34 3gzb n ASN 14 Ca -0.02 -3.44 0.16 0.00 -0.03 0.00 0.00 54.58 51.25 3gzb n ASN 14 Cb 0.22 -0.65 0.86 0.00 -0.61 0.00 0.00 39.78 39.60 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 1.52 0.00 0.00 6.41 4.64 -1.76 -3.45 113.55 120.91 3gzb h SER 15 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3gzb h SER 15 Cb 1.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 3gzb h SER 15 CO 0.48 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 3gzb n GLY 16 N -0.83 0.38 2.80 -0.77 0.00 -1.26 -5.20 105.19 100.31 3gzb n GLY 16 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3gzb n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gzb n GLU 17 N -2.00 3.13 -4.50 1.61 1.02 -1.26 -5.17 120.64 113.47 3gzb n GLU 17 Ca 0.00 -4.58 -0.30 0.00 -0.02 0.00 0.00 57.16 52.26 3gzb n GLU 17 Cb 0.00 -2.38 -0.12 0.00 -0.02 0.00 0.00 31.44 28.92 3gzb n GLU 17 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3gzb s PRO 19 N -2.26 1.81 0.43 3.49 0.02 -1.26 -5.17 135.00 132.05 3gzb s PRO 19 Ca 0.34 -1.14 0.12 0.00 0.02 0.00 0.00 61.00 60.34 3gzb s PRO 19 Cb 0.05 -2.08 0.98 0.00 0.02 0.00 0.00 34.50 33.48 3gzb s PRO 19 CO -0.01 0.50 1.99 1.96 -0.33 0.00 0.00 177.00 181.11 3gzb h GLN 20 N 4.13 0.44 -0.54 5.54 1.08 -1.99 -1.62 115.11 122.15 3gzb h GLN 20 Ca -0.49 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 56.64 3gzb h GLN 20 Cb 1.16 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.47 3gzb h GLN 20 CO 0.45 0.29 0.18 0.93 -0.95 0.00 0.00 178.83 179.73 3gzb h GLU 21 N 0.45 0.83 -0.77 1.46 3.07 -1.99 -1.42 114.58 116.21 3gzb h GLU 21 Ca 0.25 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 3gzb h GLU 21 Cb 0.41 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 3gzb h GLU 21 CO -0.07 0.75 0.31 1.96 -1.40 0.00 0.00 179.01 180.57 3gzb h GLN 22 N 0.74 1.15 -0.80 2.33 4.20 -1.72 -2.20 115.11 118.81 3gzb h GLN 22 Ca 0.17 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3gzb h GLN 22 Cb 0.26 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 3gzb h GLN 22 CO -0.01 0.93 0.36 1.96 -0.67 0.00 0.00 178.83 181.40 3gzb h GLN 23 N 1.12 1.17 -0.40 1.46 4.20 -0.92 -1.17 115.11 120.57 3gzb h GLN 23 Ca 0.26 -0.18 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 3gzb h GLN 23 Cb 0.20 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3gzb h GLN 23 CO -0.02 0.91 -0.29 1.25 -0.67 0.00 0.00 178.83 180.01 3gzb h LEU 24 N 1.15 0.90 -0.93 1.46 5.85 -1.12 -2.79 115.31 119.83 3gzb h LEU 24 Ca 0.27 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3gzb h LEU 24 Cb 0.15 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3gzb h LEU 24 CO -0.03 1.13 0.60 0.00 -0.34 0.00 0.00 178.44 179.80 3gzb h ALA 25 N 0.93 1.25 -0.47 1.25 0.00 -0.73 -1.88 119.26 119.61 3gzb h ALA 25 Ca 0.08 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3gzb h ALA 25 Cb 0.85 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3gzb h ALA 25 CO 0.07 0.44 0.27 0.28 0.00 0.00 0.00 179.25 180.31 3gzb h VAL 26 N 1.14 1.03 -0.78 0.00 2.07 -0.98 -2.79 116.25 115.94 3gzb h VAL 26 Ca 0.38 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.67 3gzb h VAL 26 Cb 0.05 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3gzb h VAL 26 CO -0.14 0.10 0.29 0.11 0.02 0.00 0.00 177.57 177.95 3gzb h LYS 27 N 0.53 1.18 0.00 1.57 1.57 -1.21 0.20 116.57 120.41 3gzb h LYS 27 Ca 0.19 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3gzb h LYS 27 Cb 0.04 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3gzb h LYS 27 CO -0.10 0.97 0.00 0.98 -0.57 0.00 0.00 179.45 180.73 3gzb n TYR 28 N -4.27 0.00 0.00 -1.35 9.36 -0.76 -1.80 117.16 118.33 3gzb n TYR 28 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 3gzb n TYR 28 Cb 0.20 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.91 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 0.38 0.00 -0.12 2.98 8.00 0.06 -0.99 116.55 126.86 3gzb n ASP 30 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 3gzb n ASP 30 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.50 0.07 2.24 0.00 -1.60 -1.95 119.26 118.51 3gzb h ALA 31 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gzb h ALA 31 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3gzb h ALA 31 CO 0.00 -0.08 -0.03 1.25 0.00 0.00 0.00 179.25 180.38 3gzb h LEU 32 N 0.49 -0.08 -0.84 0.00 5.85 -1.33 0.39 115.31 119.79 3gzb h LEU 32 Ca 0.15 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3gzb h LEU 32 Cb -0.02 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3gzb h LEU 32 CO -0.06 -0.04 0.00 0.71 -0.34 0.00 0.00 178.44 178.72 3gzb h THR 33 N -0.11 0.00 -0.68 1.05 1.35 -1.80 -1.84 112.91 110.88 3gzb h THR 33 Ca -0.01 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3gzb h THR 33 Cb 0.09 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3gzb h THR 33 CO 0.02 0.00 0.00 -1.84 -0.25 0.00 0.00 175.52 173.45 3gzb n GLU 34 N -2.94 3.21 -3.22 4.72 0.28 -0.74 -2.15 120.64 119.81 3gzb n GLU 34 Ca 0.02 -2.70 -0.23 0.00 -0.16 0.00 0.00 57.16 54.09 3gzb n GLU 34 Cb 0.37 -1.74 0.04 0.00 1.43 0.00 0.00 31.44 31.54 3gzb n GLU 34 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3gzb n HIS 35 N 1.34 -2.15 -2.74 -1.84 8.25 -0.69 -4.89 115.22 112.51 3gzb n HIS 35 Ca 0.25 0.63 -0.43 0.00 -0.26 0.00 0.00 57.72 57.90 3gzb n HIS 35 Cb 0.75 -4.40 0.00 0.00 1.12 0.00 0.00 29.99 27.46 3gzb n HIS 35 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3gzb n ASP 36 N -2.61 5.11 0.19 0.41 2.03 0.07 -4.81 116.55 116.95 3gzb n ASP 36 Ca -0.07 -2.99 0.04 0.00 0.52 0.00 0.00 54.79 52.29 3gzb n ASP 36 Cb 0.60 -1.58 0.39 0.00 -0.72 0.00 0.00 41.12 39.81 3gzb n ASP 36 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3gzb h TYR 37 N 6.87 0.00 -0.59 -0.67 0.05 -1.91 0.04 116.97 120.77 3gzb h TYR 37 Ca 0.36 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.16 3gzb h TYR 37 Cb 0.82 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.52 3gzb h TYR 37 CO 1.19 0.36 0.37 -0.22 -1.05 0.00 0.00 178.16 178.80 3gzb h LYS 38 N 0.00 0.71 -0.08 4.88 3.64 -1.98 -0.78 116.57 122.96 3gzb h LYS 38 Ca -0.00 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 3gzb h LYS 38 Cb 0.70 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3gzb h LYS 38 CO 0.05 0.47 -0.50 1.15 -2.27 0.00 0.00 179.45 178.34 3gzb h THR 39 N 0.73 1.38 -0.95 1.00 2.02 -1.89 -3.31 112.91 111.89 3gzb h THR 39 Ca 0.23 -1.87 0.04 0.00 0.77 0.00 0.00 66.41 65.59 3gzb h THR 39 Cb -0.01 2.29 -0.06 0.00 -1.74 0.00 0.00 68.15 68.63 3gzb h THR 39 CO -0.09 0.55 0.62 0.25 0.37 0.00 0.00 175.52 177.23 3gzb h LEU 40 N 0.05 1.01 -1.64 2.58 5.85 -0.71 -1.88 115.31 120.57 3gzb h LEU 40 Ca -0.04 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3gzb h LEU 40 Cb 1.16 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3gzb h LEU 40 CO 0.10 0.68 -0.10 -0.29 -0.34 0.00 0.00 178.44 178.49 3gzb h ILE 41 N 1.17 0.34 0.00 4.05 2.10 -1.23 -0.58 117.51 123.36 3gzb h ILE 41 Ca 0.39 -0.66 -0.00 0.00 1.08 0.00 0.00 64.86 65.67 3gzb h ILE 41 Cb 0.05 1.49 -0.00 0.00 -1.09 0.00 0.00 36.82 37.28 3gzb h ILE 41 CO -0.14 0.10 -0.00 0.71 -1.08 0.00 0.00 178.15 177.74 3gzb h THR 42 N 0.00 0.05 -0.01 2.19 1.35 -1.44 -1.88 112.91 113.16 3gzb h THR 42 Ca -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3gzb h THR 42 Cb 0.48 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3gzb h THR 42 CO 0.01 0.00 -0.04 0.49 -0.25 0.00 0.00 175.52 175.73 3gzb n PHE 43 N -3.15 0.00 -4.37 4.73 3.01 -0.23 -4.77 117.46 112.68 3gzb n PHE 43 Ca -0.03 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.15 3gzb n PHE 43 Cb 0.09 -0.02 -0.12 0.00 -0.01 0.00 0.00 39.48 39.43 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 -2.08 2.39 0.05 1.38 2.02 -0.71 -0.09 117.35 120.31 3gzb s TYR 44 Ca 0.35 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.72 3gzb s TYR 44 Cb 0.21 -1.24 -0.00 0.00 -0.40 0.00 0.00 41.96 40.53 3gzb s TYR 44 CO 0.36 0.42 0.01 0.27 -1.57 0.00 0.00 175.55 175.05 3gzb n ASN 45 N 0.58 1.14 0.16 2.29 6.94 -1.26 -4.87 115.26 120.23 3gzb n ASN 45 Ca -0.15 -1.25 0.12 0.00 -0.02 0.00 0.00 54.58 53.28 3gzb n ASN 45 Cb 0.54 0.11 0.57 0.00 -2.36 0.00 0.00 39.78 38.64 3gzb n ASN 45 CO 0.00 0.00 0.00 0.08 -1.03 0.00 0.00 177.26 176.31 3gzb h ARG 46 N 0.00 0.00 -0.01 -3.83 0.11 -1.98 -1.11 114.38 107.56 3gzb h ARG 46 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 3gzb h ARG 46 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 3gzb h ARG 46 CO 0.06 0.00 -0.63 -0.25 0.10 0.00 0.00 179.97 179.25 3gzb n ASP 47 N -2.30 1.56 -4.76 0.08 8.00 -1.26 -3.48 116.55 114.39 3gzb n ASP 47 Ca -0.00 -1.28 -0.38 0.00 0.71 0.00 0.00 54.79 53.84 3gzb n ASP 47 Cb 0.12 0.68 0.02 0.00 -0.02 0.00 0.00 41.12 41.91 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 -2.54 5.77 -0.08 -2.24 0.01 -0.86 -4.66 113.70 109.10 3gzb s SER 48 Ca 0.13 2.60 0.05 0.00 1.31 0.00 0.00 55.95 60.04 3gzb s SER 48 Cb 0.16 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.76 3gzb s SER 48 CO 0.64 -1.22 -0.23 -0.63 0.41 0.00 0.00 173.24 172.21 3gzb s ILE 49 N -1.38 2.17 -0.24 1.44 1.01 -0.48 -0.43 121.20 123.29 3gzb s ILE 49 Ca 0.66 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3gzb s ILE 49 Cb -0.36 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.33 3gzb s ILE 49 CO 0.44 0.56 -0.07 0.12 0.00 0.00 0.00 174.94 175.99 3gzb s PHE 50 N 0.01 3.04 -0.27 3.97 5.36 -0.28 -0.69 117.98 129.12 3gzb s PHE 50 Ca -0.09 -1.56 0.02 0.00 -0.96 0.00 0.00 56.93 54.34 3gzb s PHE 50 Cb -0.15 -2.04 0.07 0.00 -0.34 0.00 0.00 43.02 40.56 3gzb s PHE 50 CO 0.05 -0.73 -0.03 0.12 -1.46 0.00 0.00 175.22 173.17 3gzb s PHE 51 N 1.32 2.90 -0.74 10.12 5.36 0.83 -0.53 117.98 137.24 3gzb s PHE 51 Ca 0.01 -2.21 -0.24 0.00 -0.96 0.00 0.00 56.93 53.52 3gzb s PHE 51 Cb -0.16 -2.02 0.06 0.00 -0.34 0.00 0.00 43.02 40.56 3gzb s PHE 51 CO -0.05 -0.86 1.13 0.34 -1.46 0.00 0.00 175.22 174.32 3gzb s ASP 52 N 1.22 6.23 0.26 6.13 -1.08 -0.47 -1.09 116.67 127.86 3gzb s ASP 52 Ca -0.01 -0.91 0.01 0.00 -0.52 0.00 0.00 52.55 51.12 3gzb s ASP 52 Cb -0.19 -2.48 0.33 0.00 -1.46 0.00 0.00 42.92 39.12 3gzb s ASP 52 CO -0.08 -1.56 1.67 0.50 0.52 0.00 0.00 175.17 176.22 3gzb h LYS 53 N 9.70 0.51 0.00 4.34 3.64 -1.53 0.12 116.57 133.34 3gzb h LYS 53 Ca -0.21 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3gzb h LYS 53 Cb 1.05 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3gzb h LYS 53 CO 1.23 0.76 0.00 1.79 -2.27 0.00 0.00 179.45 180.96 3gzb h THR 54 N 0.43 0.00 -0.00 1.00 1.35 -1.90 -2.63 112.91 111.16 3gzb h THR 54 Ca 0.05 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3gzb h THR 54 Cb 0.77 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3gzb h THR 54 CO 0.06 0.00 -0.89 0.00 -0.25 0.00 0.00 175.52 174.44 3gzb n ALA 55 N -1.91 4.50 -3.64 6.62 0.00 -1.08 -4.99 120.51 120.00 3gzb n ALA 55 Ca 0.03 -0.59 -0.23 0.00 0.00 0.00 0.00 53.44 52.66 3gzb n ALA 55 Cb 0.37 -0.75 0.04 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.26 -2.81 -3.80 0.00 5.15 -0.06 -5.01 115.26 107.47 3gzb n ASN 56 Ca 0.05 -0.85 -0.28 0.00 -0.60 0.00 0.00 54.58 52.90 3gzb n ASN 56 Cb 0.34 -4.06 -0.16 0.00 -0.53 0.00 0.00 39.78 35.37 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 -5.76 0.97 -0.27 1.20 0.52 -0.65 -5.04 118.95 109.92 3gzb s ARG 57 Ca 0.17 -0.53 -0.04 0.00 -0.52 0.00 0.00 55.73 54.81 3gzb s ARG 57 Cb -0.05 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.31 3gzb s ARG 57 CO 0.81 -0.58 0.01 0.21 0.02 0.00 0.00 175.30 175.77 3gzb s LYS 58 N 1.73 2.94 -0.17 3.54 2.20 -1.26 -1.36 119.74 127.36 3gzb s LYS 58 Ca -0.01 -0.93 -0.09 0.00 -0.36 0.00 0.00 55.97 54.58 3gzb s LYS 58 Cb -0.17 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 3gzb s LYS 58 CO -0.07 -0.43 0.12 0.71 -0.36 0.00 0.00 175.35 175.31 3gzb s TYR 59 N 1.41 3.43 -0.14 4.03 1.51 0.31 -4.98 117.35 122.91 3gzb s TYR 59 Ca 0.01 0.34 0.03 0.00 -1.01 0.00 0.00 57.07 56.43 3gzb s TYR 59 Cb -0.17 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.60 3gzb s TYR 59 CO -0.01 0.39 -0.22 0.99 -1.11 0.00 0.00 175.55 175.59 3gzb s THR 60 N -0.01 2.08 0.00 -0.71 2.01 -1.26 -1.13 115.64 116.61 3gzb s THR 60 Ca 0.09 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.11 3gzb s THR 60 Cb -0.11 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.57 3gzb s THR 60 CO -0.00 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 3gzb n GLY 61 N 4.03 2.58 0.36 4.40 0.00 0.42 -4.73 105.19 112.25 3gzb n GLY 61 Ca -0.20 -1.29 0.09 0.00 0.00 0.00 0.00 46.02 44.62 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 1.60 1.13 -0.02 0.00 -1.44 -0.87 103.07 103.47 3gzb h GLY 62 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 3gzb h GLY 62 CO 0.00 0.12 0.10 3.21 0.00 0.00 0.00 176.54 179.97 3gzb h ARG 63 N 0.92 1.06 -0.24 4.80 3.08 -1.92 -0.70 114.38 121.39 3gzb h ARG 63 Ca 0.50 -0.28 -0.15 0.00 0.07 0.00 0.00 59.98 60.12 3gzb h ARG 63 Cb 0.58 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3gzb h ARG 63 CO -0.27 0.98 -0.47 0.74 -1.07 0.00 0.00 179.97 179.87 3gzb h PHE 64 N 1.00 0.76 -0.06 3.04 -1.00 -1.56 -2.27 116.94 116.84 3gzb h PHE 64 Ca 0.20 -0.24 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 3gzb h PHE 64 Cb 0.43 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 3gzb h PHE 64 CO 0.03 0.97 0.01 0.82 -1.61 0.00 0.00 178.31 178.54 3gzb h ILE 65 N 0.49 1.20 -0.60 -0.55 2.04 -0.98 -2.14 117.51 116.97 3gzb h ILE 65 Ca 0.03 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3gzb h ILE 65 Cb 1.01 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 3gzb h ILE 65 CO 0.09 0.17 0.34 0.40 0.00 0.00 0.00 178.15 179.15 3gzb h ILE 66 N -0.12 1.19 -0.53 -0.67 1.08 -1.12 -0.44 117.51 116.90 3gzb h ILE 66 Ca 0.02 -0.45 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 3gzb h ILE 66 Cb 0.25 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 3gzb h ILE 66 CO 0.00 0.20 0.28 -0.78 -0.69 0.00 0.00 178.15 177.16 3gzb h ASP 67 N 0.80 0.67 -0.44 1.72 3.58 -1.38 -0.11 116.42 121.26 3gzb h ASP 67 Ca 0.21 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.59 3gzb h ASP 67 Cb 0.02 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 40.86 3gzb h ASP 67 CO -0.04 0.58 0.23 0.15 -2.88 0.00 0.00 179.24 177.29 3gzb h PHE 68 N 0.71 0.42 -0.27 0.28 3.57 -1.00 -1.63 116.94 119.04 3gzb h PHE 68 Ca 0.19 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3gzb h PHE 68 Cb 0.06 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3gzb h PHE 68 CO -0.01 0.22 0.09 -0.07 -2.23 0.00 0.00 178.31 176.31 3gzb h LEU 69 N 0.46 0.38 -0.32 0.59 3.38 -0.84 -0.24 115.31 118.73 3gzb h LEU 69 Ca 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3gzb h LEU 69 Cb 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3gzb h LEU 69 CO -0.12 0.47 0.14 -0.08 0.09 0.00 0.00 178.44 178.94 3gzb h GLU 70 N 0.27 0.47 -0.37 1.13 4.81 -0.89 -1.66 114.58 118.33 3gzb h GLU 70 Ca 0.09 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3gzb h GLU 70 Cb 0.22 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3gzb h GLU 70 CO -0.00 0.45 0.17 0.00 -0.73 0.00 0.00 179.01 178.89 3gzb h ARG 71 N 0.37 0.55 -0.19 1.92 3.08 -1.23 -2.78 114.38 116.10 3gzb h ARG 71 Ca 0.11 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3gzb h ARG 71 Cb 0.15 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3gzb h ARG 71 CO -0.01 0.51 0.10 0.00 -1.07 0.00 0.00 179.97 179.50 3gzb h ALA 72 N 1.01 1.83 -0.65 0.04 0.00 -0.77 -2.89 119.26 117.83 3gzb h ALA 72 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gzb h ALA 72 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gzb h ALA 72 CO -0.01 0.15 0.00 0.72 0.00 0.00 0.00 179.25 180.11 3gzb n HIS 73 N -4.49 1.21 -1.70 0.00 8.25 -0.65 -4.94 115.22 112.91 3gzb n HIS 73 Ca -0.00 -0.57 -0.55 0.00 -0.26 0.00 0.00 57.72 56.34 3gzb n HIS 73 Cb 0.09 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.00 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 1.22 1.48 -0.41 -0.41 7.27 -1.06 -0.76 117.38 124.71 3gzb n GLN 74 Ca 0.24 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.85 3gzb n GLN 74 Cb 0.76 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 31.14 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 4.22 1.69 3.72 1.69 0.00 -1.26 -4.78 105.19 110.47 3gzb n GLY 75 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.23 4.86 0.81 1.61 1.01 0.06 -4.65 120.40 120.87 3gzb s VAL 76 Ca 0.00 1.77 -0.12 0.00 0.00 0.00 0.00 61.98 63.63 3gzb s VAL 76 Cb 0.00 -4.19 0.08 0.00 0.00 0.00 0.00 36.38 32.27 3gzb s VAL 76 CO 0.00 0.25 1.14 -0.76 0.00 0.00 0.00 175.10 175.73 3gzb s LEU 77 N 0.61 2.50 0.27 3.92 1.43 -1.26 -4.96 118.68 121.17 3gzb s LEU 77 Ca 0.44 0.95 -0.29 0.00 -1.03 0.00 0.00 54.13 54.20 3gzb s LEU 77 Cb -0.20 -3.48 -0.14 0.00 0.03 0.00 0.00 46.19 42.39 3gzb s LEU 77 CO 0.24 -1.93 1.09 1.21 0.23 0.00 0.00 176.35 177.19 3gzb n GLU 78 N -3.36 1.42 -4.56 1.70 2.13 -1.26 -4.93 120.64 111.78 3gzb n GLU 78 Ca 0.07 0.50 -0.27 0.00 0.66 0.00 0.00 57.16 58.13 3gzb n GLU 78 Cb 0.59 -1.93 -0.11 0.00 0.27 0.00 0.00 31.44 30.27 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 -0.81 2.45 0.07 4.31 1.13 -0.91 -4.73 117.35 118.85 3gzb s TYR 79 Ca 0.62 -0.55 0.09 0.00 -1.41 0.00 0.00 57.07 55.81 3gzb s TYR 79 Cb -0.72 -1.52 -0.03 0.00 -1.10 0.00 0.00 41.96 38.59 3gzb s TYR 79 CO 0.58 0.54 -0.22 -0.51 -2.51 0.00 0.00 175.55 173.42 3gzb s ASP 80 N -3.65 3.57 -0.38 -0.18 1.01 -0.43 -4.64 116.67 111.97 3gzb s ASP 80 Ca 0.33 -0.55 -0.07 0.00 0.71 0.00 0.00 52.55 52.97 3gzb s ASP 80 Cb 0.05 -0.44 0.06 0.00 1.01 0.00 0.00 42.92 43.60 3gzb s ASP 80 CO 0.17 0.23 0.17 0.12 0.21 0.00 0.00 175.17 176.07 3gzb s PHE 81 N -0.96 3.33 -0.51 4.23 5.36 -1.26 -0.61 117.98 127.56 3gzb s PHE 81 Ca 0.14 -1.62 -0.18 0.00 -0.96 0.00 0.00 56.93 54.31 3gzb s PHE 81 Cb -0.10 -2.66 0.07 0.00 -0.34 0.00 0.00 43.02 39.99 3gzb s PHE 81 CO 0.05 -0.81 0.56 -0.80 -1.46 0.00 0.00 175.22 172.76 3gzb s ASN 82 N 1.73 6.19 0.05 6.13 0.01 0.30 -4.95 114.94 124.41 3gzb s ASN 82 Ca 0.01 -1.15 -0.19 0.00 -0.71 0.00 0.00 52.86 50.81 3gzb s ASN 82 Cb -0.21 -2.26 -0.06 0.00 0.41 0.00 0.00 41.25 39.13 3gzb s ASN 82 CO 0.01 -0.85 0.57 0.27 -1.51 0.00 0.00 177.10 175.59 3gzb s ILE 83 N 2.29 4.79 -0.08 0.60 -4.36 -1.26 -1.31 121.20 121.87 3gzb s ILE 83 Ca 0.11 1.21 0.04 0.00 -0.26 0.00 0.00 60.65 61.75 3gzb s ILE 83 Cb -0.22 -3.90 -0.24 0.00 1.25 0.00 0.00 42.46 39.35 3gzb s ILE 83 CO 0.09 0.52 0.50 -0.62 0.24 0.00 0.00 174.94 175.68 3gzb n GLU 84 N 1.96 0.69 -3.06 0.37 -0.58 0.56 -4.96 120.64 115.61 3gzb n GLU 84 Ca -0.10 0.27 -0.07 0.00 -0.42 0.00 0.00 57.16 56.84 3gzb n GLU 84 Cb 0.51 -1.74 0.01 0.00 -0.57 0.00 0.00 31.44 29.65 3gzb n GLU 84 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 3gzb n HIS 85 N -3.23 -1.87 0.00 -0.32 -0.00 -1.00 -5.03 115.22 103.78 3gzb n HIS 85 Ca -0.24 -1.41 0.00 0.00 0.46 0.00 0.00 57.72 56.52 3gzb n HIS 85 Cb 1.05 0.63 0.00 0.00 -0.12 0.00 0.00 29.99 31.56 3gzb n HIS 85 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 3gzb n TYR 87 N -0.39 0.00 -3.83 1.57 4.11 -0.46 -1.00 117.16 117.16 3gzb n TYR 87 Ca -0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.73 3gzb n TYR 87 Cb 0.43 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.68 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 -0.05 -0.34 9.48 4.22 -1.26 -0.44 114.94 126.54 3gzb s ASN 88 Ca 0.00 -0.13 0.03 0.00 -2.14 0.00 0.00 52.86 50.63 3gzb s ASN 88 Cb 0.00 0.26 0.10 0.00 1.28 0.00 0.00 41.25 42.89 3gzb s ASN 88 CO 0.00 -0.43 0.06 0.00 -2.04 0.00 0.00 177.10 174.69 3gzb s ALA 89 N -1.55 2.71 0.00 3.54 0.00 -0.09 -5.01 121.76 121.36 3gzb s ALA 89 Ca -0.13 -2.43 0.00 0.00 0.00 0.00 0.00 51.96 49.40 3gzb s ALA 89 Cb -0.06 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.14 3gzb s ALA 89 CO 0.02 -1.70 0.00 0.41 0.00 0.00 0.00 175.76 174.49 3gzb n GLY 90 N 4.31 3.14 0.41 0.00 0.00 -1.26 -1.77 105.19 110.01 3gzb n GLY 90 Ca 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 2.91 1.13 -4.51 1.61 3.41 -1.26 -4.67 113.62 112.23 3gzb n SER 91 Ca 0.00 -2.04 -0.40 0.00 -0.26 0.00 0.00 58.87 56.17 3gzb n SER 91 Cb 0.00 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 63.64 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 -0.92 4.42 -0.15 1.04 2.96 -0.73 -1.19 118.68 124.10 3gzb s LEU 92 Ca 0.11 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 3gzb s LEU 92 Cb 0.06 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3gzb s LEU 92 CO 0.07 -0.22 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.17 3gzb s VAL 93 N 1.70 4.09 0.47 1.68 1.01 0.16 -0.91 120.40 128.60 3gzb s VAL 93 Ca 0.06 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.79 3gzb s VAL 93 Cb -0.17 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 3gzb s VAL 93 CO 0.10 0.50 0.03 -0.69 0.00 0.00 0.00 175.10 175.04 3gzb s VAL 94 N 0.24 1.55 -0.30 2.92 1.01 0.41 -0.75 120.40 125.49 3gzb s VAL 94 Ca -0.01 -1.96 -0.17 0.00 0.00 0.00 0.00 61.98 59.84 3gzb s VAL 94 Cb -0.14 -2.51 0.19 0.00 0.00 0.00 0.00 36.38 33.92 3gzb s VAL 94 CO 0.02 0.00 1.18 -0.63 0.00 0.00 0.00 175.10 175.67 3gzb s ILE 96 N -2.80 -0.05 0.00 2.22 1.01 -0.17 -1.36 121.20 120.06 3gzb s ILE 96 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.85 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 0.10 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.65 3gzb n GLY 97 N 3.64 0.96 3.03 6.18 0.00 -0.55 -0.32 105.19 118.13 3gzb n GLY 97 Ca -0.15 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 1.48 -0.25 1.61 0.01 -0.42 -1.06 114.94 118.31 3gzb s ASN 98 Ca 0.00 -0.23 -0.18 0.00 -0.71 0.00 0.00 52.86 51.73 3gzb s ASN 98 Cb 0.00 -0.45 -0.03 0.00 0.41 0.00 0.00 41.25 41.18 3gzb s ASN 98 CO 0.00 0.07 0.52 -0.31 -1.51 0.00 0.00 177.10 175.88 3gzb s TYR 99 N 0.26 3.29 -0.28 2.20 2.02 0.01 -0.54 117.35 124.31 3gzb s TYR 99 Ca -0.05 0.68 -0.08 0.00 -0.37 0.00 0.00 57.07 57.24 3gzb s TYR 99 Cb -0.10 -2.72 -0.01 0.00 -0.40 0.00 0.00 41.96 38.72 3gzb s TYR 99 CO 0.01 -0.25 0.11 -1.58 -1.57 0.00 0.00 175.55 172.28 3gzb s HIS 100 N 2.19 3.14 -0.12 2.71 5.65 0.22 -0.31 115.29 128.77 3gzb s HIS 100 Ca 0.22 -0.55 0.01 0.00 0.25 0.00 0.00 55.06 54.99 3gzb s HIS 100 Cb -0.16 -2.30 -0.02 0.00 -1.18 0.00 0.00 32.58 28.93 3gzb s HIS 100 CO 0.09 -0.43 -0.14 -0.06 -0.65 0.00 0.00 174.74 173.56 3gzb s PHE 101 N 1.60 2.79 -0.05 3.88 0.40 -0.38 -1.31 117.98 124.91 3gzb s PHE 101 Ca 0.05 -0.59 -0.00 0.00 -0.60 0.00 0.00 56.93 55.79 3gzb s PHE 101 Cb -0.16 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.58 3gzb s PHE 101 CO 0.05 -0.16 -0.00 0.21 0.70 0.00 0.00 175.22 176.01 3gzb s LYS 102 N 0.20 0.49 0.00 0.44 2.20 -1.26 -1.09 119.74 120.71 3gzb s LYS 102 Ca -0.08 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 3gzb s LYS 102 Cb -0.15 -0.71 0.00 0.00 -1.51 0.00 0.00 37.83 35.46 3gzb s LYS 102 CO 0.05 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 3gzb n GLY 103 N 4.51 -0.20 3.60 5.54 0.00 -0.63 -4.67 105.19 113.34 3gzb n GLY 103 Ca -0.18 -1.45 -0.47 0.00 0.00 0.00 0.00 46.02 43.91 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 1.40 -0.26 1.61 -0.02 -1.26 -0.67 135.00 135.79 3gzb n PRO 104 Ca 0.00 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 62.08 3gzb n PRO 104 Cb 0.00 -1.99 0.27 0.00 -0.02 0.00 0.00 33.50 31.75 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 1.83 1.67 0.22 -1.23 0.00 0.48 -4.59 105.19 103.57 3gzb n GLY 105 Ca 0.13 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 3.61 0.03 0.00 1.61 3.07 -1.81 0.13 114.58 121.21 3gzb h GLU 106 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gzb h GLU 106 Cb 0.82 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 3gzb h GLU 106 CO 0.00 0.02 0.00 1.04 -1.40 0.00 0.00 179.01 178.67 3gzb n GLN 107 N -5.36 0.06 -0.58 2.33 1.13 -1.26 -2.54 117.38 111.16 3gzb n GLN 107 Ca 0.06 0.24 0.09 0.00 -1.94 0.00 0.00 57.00 55.45 3gzb n GLN 107 Cb 0.30 -1.61 0.33 0.00 0.11 0.00 0.00 30.24 29.38 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 -1.72 1.39 -1.13 1.08 3.01 -0.14 -4.95 117.46 114.99 3gzb n PHE 108 Ca 0.04 -0.65 -0.05 0.00 1.01 0.00 0.00 57.45 57.80 3gzb n PHE 108 Cb 0.23 -0.26 -0.02 0.00 -0.01 0.00 0.00 39.48 39.42 3gzb n PHE 108 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gzb n GLY 109 N 0.79 0.74 2.60 1.37 0.00 -1.05 -4.97 105.19 104.66 3gzb n GLY 109 Ca 0.24 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.72 2.25 -1.86 1.61 4.76 -0.20 -5.01 118.16 116.98 3gzb n LYS 110 Ca -0.05 -4.24 -0.40 0.00 -2.87 0.00 0.00 58.31 50.76 3gzb n LYS 110 Cb 0.17 -2.00 0.01 0.00 -1.84 0.00 0.00 35.03 31.37 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 -2.92 3.91 0.00 1.97 0.04 -1.26 -2.48 135.00 134.26 3gzb s PRO 111 Ca 0.44 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.90 3gzb s PRO 111 Cb 0.29 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3gzb s PRO 111 CO -0.11 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.70 3gzb n GLY 112 N 0.57 0.43 3.55 0.56 0.00 -1.26 -4.94 105.19 104.10 3gzb n GLY 112 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.57 1.88 -0.19 1.61 1.02 -1.04 -5.02 119.74 117.43 3gzb s LYS 113 Ca 0.00 -1.78 -0.08 0.00 0.02 0.00 0.00 55.97 54.13 3gzb s LYS 113 Cb 0.00 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.44 3gzb s LYS 113 CO 0.00 0.23 0.08 0.42 -0.92 0.00 0.00 175.35 175.16 3gzb s ILE 114 N -2.52 4.93 0.26 2.17 -1.09 -1.26 -0.39 121.20 123.30 3gzb s ILE 114 Ca 0.32 0.02 0.09 0.00 -2.23 0.00 0.00 60.65 58.85 3gzb s ILE 114 Cb -0.02 -3.24 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 3gzb s ILE 114 CO 0.17 0.44 0.02 0.27 -1.23 0.00 0.00 174.94 174.62 3gzb s ILE 115 N 0.47 3.59 -0.21 2.92 -5.25 0.15 -4.90 121.20 117.97 3gzb s ILE 115 Ca 0.04 -1.83 -0.04 0.00 -0.99 0.00 0.00 60.65 57.84 3gzb s ILE 115 Cb -0.12 -2.92 0.10 0.00 2.95 0.00 0.00 42.46 42.47 3gzb s ILE 115 CO 0.00 -0.36 0.26 -0.62 -1.79 0.00 0.00 174.94 172.43 3gzb s ASP 116 N -3.67 1.03 0.07 4.36 -1.08 -1.26 -1.61 116.67 114.51 3gzb s ASP 116 Ca 0.31 -0.06 0.04 0.00 -0.52 0.00 0.00 52.55 52.32 3gzb s ASP 116 Cb -0.07 0.59 -0.03 0.00 -1.46 0.00 0.00 42.92 41.95 3gzb s ASP 116 CO 0.20 -0.31 -0.11 0.68 0.52 0.00 0.00 175.17 176.15 3gzb s VAL 117 N 2.39 0.92 -0.21 1.11 -7.23 -0.25 -4.96 120.40 112.17 3gzb s VAL 117 Ca 0.08 -1.32 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 3gzb s VAL 117 Cb -0.15 -1.01 0.06 0.00 0.56 0.00 0.00 36.38 35.83 3gzb s VAL 117 CO -0.13 -0.35 -0.02 0.00 -0.31 0.00 0.00 175.10 174.29 3gzb s ALA 118 N -1.58 1.52 -0.29 1.32 0.00 -1.26 -1.25 121.76 120.23 3gzb s ALA 118 Ca -0.02 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 3gzb s ALA 118 Cb -0.08 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.77 3gzb s ALA 118 CO 0.01 -1.11 0.05 0.42 0.00 0.00 0.00 175.76 175.13 3gzb s ILE 119 N 1.61 3.66 0.55 0.00 1.01 0.58 -4.88 121.20 123.72 3gzb s ILE 119 Ca -0.03 -0.85 -0.21 0.00 0.00 0.00 0.00 60.65 59.56 3gzb s ILE 119 Cb -0.18 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 3gzb s ILE 119 CO -0.07 0.06 1.32 -2.65 0.00 0.00 0.00 174.94 173.60 3gzb n PRO 120 N 4.81 1.59 -3.50 2.79 -0.02 -1.26 -0.81 135.00 138.59 3gzb n PRO 120 Ca -0.15 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 61.80 3gzb n PRO 120 Cb 0.47 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 3gzb n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gzb s ALA 121 N -1.31 -1.78 -0.10 3.55 0.00 -0.22 -1.02 121.76 120.87 3gzb s ALA 121 Ca 0.72 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.81 3gzb s ALA 121 Cb -0.42 0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3gzb s ALA 121 CO 0.49 -0.55 -0.23 0.08 0.00 0.00 0.00 175.76 175.55 3gzb s VAL 122 N -2.35 2.01 -0.08 0.00 1.01 -0.65 -1.49 120.40 118.85 3gzb s VAL 122 Ca -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.01 3gzb s VAL 122 Cb -0.01 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.63 3gzb s VAL 122 CO -0.03 0.55 -0.18 -0.89 0.00 0.00 0.00 175.10 174.55 3gzb s THR 123 N 0.41 1.61 0.09 3.92 2.01 -1.26 -0.47 115.64 121.94 3gzb s THR 123 Ca -0.17 -0.76 0.10 0.00 0.31 0.00 0.00 61.69 61.17 3gzb s THR 123 Cb -0.18 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 3gzb s THR 123 CO 0.08 0.46 -0.27 -0.94 -0.69 0.00 0.00 174.62 173.26 3gzb s SER 124 N 0.48 3.23 -0.09 3.53 1.04 -0.21 -4.46 113.70 117.22 3gzb s SER 124 Ca -0.16 -0.67 0.03 0.00 0.48 0.00 0.00 55.95 55.62 3gzb s SER 124 Cb -0.17 -0.25 0.01 0.00 0.10 0.00 0.00 66.02 65.71 3gzb s SER 124 CO 0.06 0.22 -0.16 -0.76 0.98 0.00 0.00 173.24 173.58 3gzb s LEU 125 N -1.64 1.79 -0.25 2.42 1.43 0.07 -1.07 118.68 121.43 3gzb s LEU 125 Ca 0.13 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 3gzb s LEU 125 Cb -0.10 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 3gzb s LEU 125 CO 0.04 0.06 0.16 -0.75 0.23 0.00 0.00 176.35 176.09 3gzb s LYS 126 N 0.67 3.99 0.02 1.70 2.47 0.18 -0.67 119.74 128.11 3gzb s LYS 126 Ca -0.13 -0.31 0.03 0.00 -1.56 0.00 0.00 55.97 54.00 3gzb s LYS 126 Cb -0.16 -3.55 -0.04 0.00 -1.46 0.00 0.00 37.83 32.62 3gzb s LYS 126 CO 0.04 -0.03 -0.02 -0.51 0.16 0.00 0.00 175.35 174.98 3gzb s LEU 127 N 1.31 3.39 0.35 5.43 1.43 -0.33 -0.54 118.68 129.72 3gzb s LEU 127 Ca 0.07 -0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 3gzb s LEU 127 Cb -0.14 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 3gzb s LEU 127 CO 0.07 0.26 0.35 -0.62 0.23 0.00 0.00 176.35 176.64 3gzb s ASP 128 N -1.67 5.38 0.00 2.29 -1.08 0.40 -4.81 116.67 117.18 3gzb s ASP 128 Ca 0.20 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.74 3gzb s ASP 128 Cb -0.11 -0.92 0.00 0.00 -1.46 0.00 0.00 42.92 40.42 3gzb s ASP 128 CO 0.11 -0.44 0.00 -0.11 0.52 0.00 0.00 175.17 175.25 3gzb n LEU 130 N -1.47 0.00 -1.01 -1.34 7.94 -1.26 -0.83 117.00 119.03 3gzb n LEU 130 Ca -0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 3gzb n LEU 130 Cb 0.60 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.75 3gzb n LEU 130 CO 0.42 0.00 0.69 0.59 -1.11 0.00 0.00 177.39 177.98 3gzb n ASN 131 N 0.00 3.06 -3.75 1.96 3.02 -1.26 -4.97 115.26 113.32 3gzb n ASN 131 Ca 0.00 -1.95 -0.26 0.00 -0.03 0.00 0.00 54.58 52.34 3gzb n ASN 131 Cb 0.00 -0.14 0.02 0.00 -0.61 0.00 0.00 39.78 39.05 3gzb n ASN 131 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3gzb n ARG 132 N 1.29 -3.06 -4.21 3.52 1.74 -0.01 -4.99 116.66 110.93 3gzb n ARG 132 Ca 0.17 0.51 -0.16 0.00 -0.77 0.00 0.00 57.85 57.61 3gzb n ARG 132 Cb 0.57 -4.66 -0.11 0.00 -1.02 0.00 0.00 32.46 27.25 3gzb n ARG 132 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3gzb s ARG 133 N -6.08 0.95 -0.33 5.56 0.52 -0.74 -4.45 118.95 114.40 3gzb s ARG 133 Ca 0.18 -1.23 -0.16 0.00 -0.52 0.00 0.00 55.73 53.99 3gzb s ARG 133 Cb -0.06 -0.70 -0.01 0.00 0.52 0.00 0.00 34.95 34.69 3gzb s ARG 133 CO 0.85 0.12 0.43 0.08 0.02 0.00 0.00 175.30 176.79 3gzb s VAL 134 N -2.44 5.11 0.01 3.52 1.01 0.87 -0.45 120.40 128.03 3gzb s VAL 134 Ca 0.08 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.38 3gzb s VAL 134 Cb -0.03 -3.85 -0.25 0.00 0.00 0.00 0.00 36.38 32.25 3gzb s VAL 134 CO 0.01 -0.08 0.86 0.71 0.00 0.00 0.00 175.10 176.61 3gzb h THR 135 N 5.53 1.16 -2.82 3.92 1.35 -1.10 -3.43 112.91 117.53 3gzb h THR 135 Ca -0.29 -2.87 -0.18 0.00 -0.55 0.00 0.00 66.41 62.52 3gzb h THR 135 Cb 1.14 2.68 -0.30 0.00 -1.73 0.00 0.00 68.15 69.94 3gzb h THR 135 CO 0.71 0.77 -0.46 -0.70 -0.25 0.00 0.00 175.52 175.59 3gzb s GLU 136 N -2.63 0.22 -0.26 4.72 2.12 -1.12 -1.38 118.70 120.37 3gzb s GLU 136 Ca -0.07 0.75 -0.05 0.00 0.36 0.00 0.00 54.97 55.96 3gzb s GLU 136 Cb 0.08 0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.48 3gzb s GLU 136 CO 0.84 -0.23 0.02 -1.58 -0.54 0.00 0.00 175.26 173.76 3gzb s HIS 137 N 2.02 3.08 -0.17 5.30 5.65 0.13 -0.65 115.29 130.65 3gzb s HIS 137 Ca -0.03 -1.05 -0.02 0.00 0.25 0.00 0.00 55.06 54.20 3gzb s HIS 137 Cb -0.11 -2.17 -0.01 0.00 -1.18 0.00 0.00 32.58 29.11 3gzb s HIS 137 CO -0.10 -0.59 -0.09 0.08 -0.65 0.00 0.00 174.74 173.39 3gzb s VAL 138 N 1.46 3.15 -0.11 0.89 1.01 -0.23 -0.12 120.40 126.45 3gzb s VAL 138 Ca 0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 3gzb s VAL 138 Cb -0.16 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3gzb s VAL 138 CO -0.00 0.48 -0.02 -1.81 0.00 0.00 0.00 175.10 173.74 3gzb s ASP 139 N 0.89 4.99 -0.40 3.32 1.01 -0.25 -1.04 116.67 125.18 3gzb s ASP 139 Ca -0.02 0.01 0.03 0.00 0.71 0.00 0.00 52.55 53.28 3gzb s ASP 139 Cb -0.15 -1.55 0.11 0.00 1.01 0.00 0.00 42.92 42.35 3gzb s ASP 139 CO 0.00 0.29 0.14 -0.76 0.21 0.00 0.00 175.17 175.05 3gzb s LEU 140 N -0.36 4.09 -0.13 1.23 1.43 0.38 -1.47 118.68 123.84 3gzb s LEU 140 Ca 0.06 -2.41 -0.06 0.00 -1.03 0.00 0.00 54.13 50.70 3gzb s LEU 140 Cb -0.12 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3gzb s LEU 140 CO 0.02 -0.33 0.08 -0.63 0.23 0.00 0.00 176.35 175.72 3gzb s ILE 141 N 0.57 4.93 -1.23 -0.59 -1.09 -1.26 -1.63 121.20 120.89 3gzb s ILE 141 Ca 0.13 0.00 -0.15 0.00 -2.23 0.00 0.00 60.65 58.40 3gzb s ILE 141 Cb -0.22 -3.16 0.14 0.00 -1.58 0.00 0.00 42.46 37.64 3gzb s ILE 141 CO -0.07 0.56 1.53 -0.62 -1.23 0.00 0.00 174.94 175.11 3gzb s ASP 142 N -0.47 6.98 0.33 3.58 2.15 -0.19 -4.83 116.67 124.23 3gzb s ASP 142 Ca 0.10 -2.79 0.08 0.00 0.43 0.00 0.00 52.55 50.38 3gzb s ASP 142 Cb -0.12 -2.46 0.58 0.00 -0.30 0.00 0.00 42.92 40.62 3gzb s ASP 142 CO 0.02 -0.90 1.78 1.88 -0.17 0.00 0.00 175.17 177.78 3gzb h TYR 143 N 7.34 0.25 -0.71 -5.34 0.05 -1.96 -2.81 116.97 113.79 3gzb h TYR 143 Ca 0.36 -0.05 -0.05 0.00 0.05 0.00 0.00 58.73 59.03 3gzb h TYR 143 Cb 0.88 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.52 3gzb h TYR 143 CO 1.21 0.52 0.24 0.37 -1.05 0.00 0.00 178.16 179.45 3gzb h GLN 144 N 0.19 1.07 -1.44 4.88 5.75 -2.00 0.69 115.11 124.26 3gzb h GLN 144 Ca 0.03 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 3gzb h GLN 144 Cb 0.66 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.04 3gzb h GLN 144 CO 0.05 0.90 0.00 2.41 -2.65 0.00 0.00 178.83 179.54 3gzb n THR 145 N -4.27 0.14 0.00 2.39 -1.04 -1.06 -0.83 114.28 109.61 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 0.21 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 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 0.79 0.00 -0.28 8.00 2.88 0.23 -2.03 113.62 123.21 3gzb n SER 147 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3gzb n SER 147 Cb 0.08 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.79 -0.38 -3.46 3.32 -1.24 -0.99 116.42 114.46 3gzb h ASP 148 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 3gzb h ASP 148 Cb 0.00 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3gzb h ASP 148 CO 0.00 0.54 -0.30 1.56 -1.72 0.00 0.00 179.24 179.32 3gzb h GLN 149 N 0.94 0.88 0.00 3.56 4.20 -1.68 -3.05 115.11 119.95 3gzb h GLN 149 Ca 0.32 -0.43 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 3gzb h GLN 149 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3gzb h GLN 149 CO -0.13 1.08 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.76 3gzb h LEU 150 N 0.68 0.00 -3.29 1.46 3.38 -1.76 -3.29 115.31 112.50 3gzb h LEU 150 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gzb h LEU 150 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3gzb h LEU 150 CO 0.08 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.88 3gzb n ALA 151 N -2.35 1.75 0.00 1.53 0.00 -0.40 -5.10 120.51 115.93 3gzb n ALA 151 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3gzb n ALA 151 Cb 0.37 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3gzb n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54