#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azf s VAL 2 N 0.00 4.85 0.64 3.15 1.01 -1.26 -1.70 120.40 127.09 1azf s VAL 2 Ca 0.00 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 1azf s VAL 2 Cb 0.00 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1azf s VAL 2 CO 0.00 -0.29 1.05 -0.36 0.00 0.00 0.00 175.10 175.50 1azf s PHE 3 N 1.60 3.10 0.45 5.22 0.40 -0.30 -5.01 117.98 123.45 1azf s PHE 3 Ca 0.03 1.46 -0.02 0.00 -0.60 0.00 0.00 56.93 57.80 1azf s PHE 3 Cb -0.19 -2.92 -0.01 0.00 0.51 0.00 0.00 43.02 40.40 1azf s PHE 3 CO 0.08 -1.10 0.70 0.20 0.70 0.00 0.00 175.22 175.79 1azf s GLY 4 N -3.33 1.51 0.05 4.36 0.00 -1.26 -4.88 107.32 103.77 1azf s GLY 4 Ca 0.60 -0.87 -0.26 0.00 0.00 0.00 0.00 44.72 44.19 1azf s GLY 4 CO 0.46 -0.71 1.40 -0.09 0.00 0.00 0.00 173.10 174.15 1azf h ARG 5 N 0.37 -0.79 -0.29 2.90 2.43 -1.97 -1.78 114.38 115.24 1azf h ARG 5 Ca -0.47 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1azf h ARG 5 Cb 1.24 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.95 1azf h ARG 5 CO 0.59 -0.53 0.19 0.00 -1.51 0.00 0.00 179.97 178.72 1azf h GLU 7 N 0.39 1.09 -0.20 0.00 4.81 -1.93 -2.09 114.58 116.65 1azf h GLU 7 Ca 0.11 -0.31 -0.21 0.00 -0.13 0.00 0.00 59.36 58.82 1azf h GLU 7 Cb -0.04 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.22 1azf h GLU 7 CO -0.02 1.02 -0.69 1.25 -0.73 0.00 0.00 179.01 179.84 1azf h LEU 8 N 1.00 0.91 -0.39 1.64 5.85 -0.80 -2.33 115.31 121.19 1azf h LEU 8 Ca 0.19 -0.55 0.05 0.00 0.84 0.00 0.00 57.88 58.41 1azf h LEU 8 Cb 0.48 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1azf h LEU 8 CO 0.02 1.35 0.11 0.00 -0.34 0.00 0.00 178.44 179.58 1azf h ALA 9 N 0.65 0.45 -0.39 1.25 0.00 -1.12 -0.19 119.26 119.91 1azf h ALA 9 Ca -0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1azf h ALA 9 Cb 1.30 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1azf h ALA 9 CO 0.14 -0.28 0.17 0.00 0.00 0.00 0.00 179.25 179.28 1azf h ALA 10 N 1.27 0.50 -0.71 0.00 0.00 -1.34 -0.29 119.26 118.69 1azf h ALA 10 Ca 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1azf h ALA 10 Cb 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1azf h ALA 10 CO -0.21 0.09 0.35 0.00 0.00 0.00 0.00 179.25 179.47 1azf h ALA 11 N 1.02 1.27 -0.21 0.00 0.00 -0.99 -0.41 119.26 119.94 1azf h ALA 11 Ca 0.13 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1azf h ALA 11 Cb 0.15 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1azf h ALA 11 CO -0.01 0.57 -0.55 0.52 0.00 0.00 0.00 179.25 179.78 1azf h MET 12 N 1.01 0.64 -0.32 0.00 2.86 -0.71 -1.38 114.93 117.02 1azf h MET 12 Ca 0.25 -0.40 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 1azf h MET 12 Cb 0.09 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1azf h MET 12 CO -0.03 1.02 0.01 -0.22 1.06 0.00 0.00 176.91 178.74 1azf h LYS 13 N 0.49 0.57 0.00 1.72 3.64 -0.78 -1.72 116.57 120.49 1azf h LYS 13 Ca 0.01 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 1azf h LYS 13 Cb 1.11 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1azf h LYS 13 CO 0.11 0.69 -0.09 -0.09 -2.27 0.00 0.00 179.45 177.79 1azf h ARG 14 N 0.37 0.00 -0.56 1.90 2.43 -0.94 -1.26 114.38 116.32 1azf h ARG 14 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1azf h ARG 14 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1azf h ARG 14 CO 0.01 0.09 0.00 0.72 -1.51 0.00 0.00 179.97 179.29 1azf n HIS 15 N -4.26 0.80 -1.07 2.20 8.25 -0.53 -4.93 115.22 115.68 1azf n HIS 15 Ca -0.03 -0.32 -0.02 0.00 -0.26 0.00 0.00 57.72 57.09 1azf n HIS 15 Cb 0.17 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 1azf n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1azf n GLY 16 N 0.80 0.58 0.16 -1.41 0.00 -0.47 -4.97 105.19 99.87 1azf n GLY 16 Ca 0.14 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.69 1azf n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1azf h LEU 17 N 0.00 0.00 -9.29 0.99 3.38 -1.51 -3.40 115.31 105.48 1azf h LEU 17 Ca -0.05 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.38 1azf h LEU 17 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1azf h LEU 17 CO 0.07 0.34 1.15 -0.62 0.09 0.00 0.00 178.44 179.48 1azf s ASP 18 N -6.29 6.56 -0.84 -0.43 2.15 -1.26 -1.79 116.67 114.76 1azf s ASP 18 Ca 0.04 2.40 0.00 0.00 0.43 0.00 0.00 52.55 55.42 1azf s ASP 18 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1azf s ASP 18 CO 0.73 -1.00 0.00 0.59 -0.17 0.00 0.00 175.17 175.32 1azf n ASN 19 N 7.38 -5.16 -4.70 -0.34 3.02 -0.21 -4.88 115.26 110.37 1azf n ASN 19 Ca 0.19 0.20 -0.42 0.00 -0.03 0.00 0.00 54.58 54.51 1azf n ASN 19 Cb 0.42 -3.36 -0.03 0.00 -0.61 0.00 0.00 39.78 36.20 1azf n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1azf s TYR 20 N -1.89 2.69 -1.75 3.10 5.04 -0.74 -0.93 117.35 122.88 1azf s TYR 20 Ca 0.00 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 1azf s TYR 20 Cb 0.00 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 38.32 1azf s TYR 20 CO 0.00 -3.84 0.00 0.54 -1.34 0.00 0.00 175.55 170.91 1azf n ARG 21 N 4.80 -1.48 -0.61 4.97 5.12 -1.26 -1.01 116.66 127.19 1azf n ARG 21 Ca 0.15 0.97 0.00 0.00 -1.93 0.00 0.00 57.85 57.05 1azf n ARG 21 Cb 0.39 -5.35 0.00 0.00 -1.16 0.00 0.00 32.46 26.34 1azf n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1azf n GLY 22 N -0.43 0.78 3.57 -0.13 0.00 -0.11 -5.04 105.19 103.84 1azf n GLY 22 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1azf n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1azf s TYR 23 N -2.93 3.19 0.74 1.61 2.02 -0.18 -4.85 117.35 116.95 1azf s TYR 23 Ca 0.00 0.32 -0.15 0.00 -0.37 0.00 0.00 57.07 56.87 1azf s TYR 23 Cb 0.00 -2.93 0.04 0.00 -0.40 0.00 0.00 41.96 38.68 1azf s TYR 23 CO 0.00 -0.50 1.19 -1.54 -1.57 0.00 0.00 175.55 173.13 1azf s SER 24 N 1.72 4.22 0.35 2.29 1.04 -1.26 -1.04 113.70 121.02 1azf s SER 24 Ca 0.20 2.29 0.12 0.00 0.48 0.00 0.00 55.95 59.04 1azf s SER 24 Cb -0.15 -2.58 0.92 0.00 0.10 0.00 0.00 66.02 64.31 1azf s SER 24 CO 0.13 -2.24 1.78 0.25 0.98 0.00 0.00 173.24 174.14 1azf h LEU 25 N -0.39 0.61 -1.32 2.42 6.46 -1.90 0.51 115.31 121.70 1azf h LEU 25 Ca -0.47 0.09 0.19 0.00 -0.12 0.00 0.00 57.88 57.56 1azf h LEU 25 Cb 1.29 -0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 41.12 1azf h LEU 25 CO 0.50 0.19 0.60 1.23 -0.62 0.00 0.00 178.44 180.33 1azf h GLY 26 N 0.58 1.19 0.86 3.75 0.00 -1.90 -1.70 103.07 105.85 1azf h GLY 26 Ca 0.57 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 1azf h GLY 26 CO -0.33 0.00 0.02 3.43 0.00 0.00 0.00 176.54 179.66 1azf h ASN 27 N 0.57 0.42 -0.42 0.19 4.21 -1.14 -1.68 115.58 117.73 1azf h ASN 27 Ca 0.50 -0.29 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 1azf h ASN 27 Cb 1.00 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 38.07 1azf h ASN 27 CO -0.24 0.60 0.22 -0.50 -1.29 0.00 0.00 177.43 176.23 1azf h TRP 28 N 0.22 0.59 -0.56 1.19 4.06 -1.36 -0.38 115.95 119.71 1azf h TRP 28 Ca 0.07 -0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.91 1azf h TRP 28 Cb 0.38 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 1azf h TRP 28 CO 0.03 0.46 -0.00 0.28 -3.56 0.00 0.00 178.44 175.65 1azf h VAL 29 N 0.55 1.26 -0.26 1.49 2.07 -1.40 -1.62 116.25 118.34 1azf h VAL 29 Ca 0.15 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1azf h VAL 29 Cb 0.08 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1azf h VAL 29 CO -0.02 0.40 0.11 0.00 0.02 0.00 0.00 177.57 178.09 1azf h ALA 31 N 0.97 -0.33 -0.52 0.00 0.00 -0.85 -2.33 119.26 116.19 1azf h ALA 31 Ca 0.09 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1azf h ALA 31 Cb 0.15 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1azf h ALA 31 CO -0.01 -0.77 0.25 0.00 0.00 0.00 0.00 179.25 178.72 1azf h ALA 32 N 0.47 0.66 -0.20 0.00 0.00 -1.22 0.14 119.26 119.11 1azf h ALA 32 Ca 0.09 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1azf h ALA 32 Cb 0.51 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1azf h ALA 32 CO -0.31 -0.10 -0.17 -0.22 0.00 0.00 0.00 179.25 178.45 1azf h LYS 33 N 0.49 -0.17 0.00 0.00 1.63 -1.08 -0.90 116.57 116.55 1azf h LYS 33 Ca 0.23 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1azf h LYS 33 Cb 0.16 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1azf h LYS 33 CO -0.17 -0.11 -0.18 1.19 -3.45 0.00 0.00 179.45 176.73 1azf n PHE 34 N -5.32 0.61 -0.01 1.91 3.72 -0.89 -0.24 117.46 117.24 1azf n PHE 34 Ca -0.01 0.18 -0.22 0.00 -0.05 0.00 0.00 57.45 57.35 1azf n PHE 34 Cb 0.23 -0.74 -0.14 0.00 -0.94 0.00 0.00 39.48 37.89 1azf n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1azf h GLU 35 N 0.00 0.23 0.00 -1.08 4.39 -0.54 -3.44 114.58 114.14 1azf h GLU 35 Ca 0.00 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1azf h GLU 35 Cb 0.68 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1azf h GLU 35 CO 0.00 1.19 0.00 -1.13 -1.16 0.00 0.00 179.01 177.91 1azf n SER 36 N -3.65 0.25 -2.30 1.42 3.41 -0.40 -4.86 113.62 107.48 1azf n SER 36 Ca -0.32 -0.81 -0.18 0.00 -0.26 0.00 0.00 58.87 57.30 1azf n SER 36 Cb 0.99 0.07 0.01 0.00 -0.26 0.00 0.00 64.21 65.02 1azf n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1azf n ASN 37 N -0.07 -5.32 -0.73 4.04 5.15 0.67 -2.30 115.26 116.70 1azf n ASN 37 Ca 0.00 -0.13 -0.09 0.00 -0.60 0.00 0.00 54.58 53.76 1azf n ASN 37 Cb 0.13 -4.28 -0.04 0.00 -0.53 0.00 0.00 39.78 35.06 1azf n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1azf n PHE 38 N -4.17 0.00 -3.58 1.20 3.72 -1.15 -4.85 117.46 108.62 1azf n PHE 38 Ca -0.16 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.84 1azf n PHE 38 Cb 0.63 -1.91 -0.11 0.00 -0.94 0.00 0.00 39.48 37.15 1azf n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1azf s ASN 39 N -2.80 5.80 0.51 4.37 2.47 -0.97 -1.15 114.94 123.17 1azf s ASN 39 Ca 0.00 -0.63 0.19 0.00 0.42 0.00 0.00 52.86 52.84 1azf s ASN 39 Cb 0.00 -2.06 1.31 0.00 -1.45 0.00 0.00 41.25 39.05 1azf s ASN 39 CO 0.00 -0.27 2.12 0.71 -3.72 0.00 0.00 177.10 175.93 1azf h THR 40 N 5.65 0.91 -0.33 -5.21 1.35 -1.62 -2.75 112.91 110.91 1azf h THR 40 Ca -0.30 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1azf h THR 40 Cb 1.14 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1azf h THR 40 CO 0.64 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.98 1azf n GLN 41 N -4.27 1.89 -2.27 4.72 6.02 -1.25 -3.86 117.38 118.36 1azf n GLN 41 Ca -0.03 -1.23 -0.41 0.00 -0.01 0.00 0.00 57.00 55.33 1azf n GLN 41 Cb 0.15 -1.33 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 1azf n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1azf s ALA 42 N -1.58 3.47 -0.01 -1.58 0.00 -1.04 -4.83 121.76 116.19 1azf s ALA 42 Ca 0.23 1.10 -0.03 0.00 0.00 0.00 0.00 51.96 53.26 1azf s ALA 42 Cb 0.12 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 1azf s ALA 42 CO 0.14 -0.44 0.06 0.95 0.00 0.00 0.00 175.76 176.46 1azf s THR 43 N -0.94 0.05 -0.11 0.00 -4.23 -1.26 -0.99 115.64 108.17 1azf s THR 43 Ca 0.48 -0.39 -0.07 0.00 -1.18 0.00 0.00 61.69 60.54 1azf s THR 43 Cb -0.36 -0.21 0.04 0.00 1.34 0.00 0.00 72.50 73.30 1azf s THR 43 CO 0.46 -0.22 0.26 0.20 -0.54 0.00 0.00 174.62 174.79 1azf s ASN 44 N -0.66 -0.28 0.01 3.99 0.01 -0.94 -4.98 114.94 112.09 1azf s ASN 44 Ca -0.07 0.55 -0.16 0.00 -0.71 0.00 0.00 52.86 52.47 1azf s ASN 44 Cb -0.05 0.47 -0.06 0.00 0.41 0.00 0.00 41.25 42.03 1azf s ASN 44 CO 0.00 -0.14 0.44 -0.60 -1.51 0.00 0.00 177.10 175.28 1azf s ARG 45 N 0.91 3.97 0.34 -0.60 3.52 -1.26 -0.69 118.95 125.14 1azf s ARG 45 Ca -0.06 0.47 0.06 0.00 -0.13 0.00 0.00 55.73 56.06 1azf s ARG 45 Cb -0.07 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1azf s ARG 45 CO -0.06 0.68 0.48 -0.80 -0.81 0.00 0.00 175.30 174.79 1azf s ASN 46 N -1.07 5.96 0.48 -2.12 -0.87 -0.11 -4.98 114.94 112.24 1azf s ASN 46 Ca 0.25 -0.15 0.24 0.00 -1.57 0.00 0.00 52.86 51.63 1azf s ASN 46 Cb -0.17 -1.26 1.23 0.00 -0.02 0.00 0.00 41.25 41.03 1azf s ASN 46 CO 0.14 -0.45 1.99 0.71 -2.57 0.00 0.00 177.10 176.92 1azf h THR 47 N 0.86 0.68 0.00 1.60 1.35 -1.99 -2.22 112.91 113.19 1azf h THR 47 Ca -0.46 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1azf h THR 47 Cb 1.26 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1azf h THR 47 CO 0.53 0.17 0.00 -0.90 -0.25 0.00 0.00 175.52 175.07 1azf n ASP 48 N -3.67 0.00 0.00 5.36 5.68 -1.26 -4.88 116.55 117.78 1azf n ASP 48 Ca -0.01 -0.94 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 1azf n ASP 48 Cb 0.30 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1azf n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1azf n GLY 49 N 0.93 1.71 3.80 6.12 0.00 -0.83 -5.05 105.19 111.87 1azf n GLY 49 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1azf n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1azf s SER 50 N -1.83 4.45 0.03 1.61 1.04 -1.26 -4.78 113.70 112.97 1azf s SER 50 Ca 0.00 1.29 0.04 0.00 0.48 0.00 0.00 55.95 57.76 1azf s SER 50 Cb 0.00 -2.02 -0.02 0.00 0.10 0.00 0.00 66.02 64.08 1azf s SER 50 CO 0.00 -1.99 -0.12 -0.89 0.98 0.00 0.00 173.24 171.22 1azf s THR 51 N -3.16 0.95 -0.12 2.02 2.01 -1.26 -0.94 115.64 115.13 1azf s THR 51 Ca 0.61 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.69 1azf s THR 51 Cb -0.14 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1azf s THR 51 CO 0.54 0.02 0.14 -1.81 -0.69 0.00 0.00 174.62 172.82 1azf s ASP 52 N -0.93 6.38 -0.02 3.53 1.01 0.14 -1.30 116.67 125.47 1azf s ASP 52 Ca 0.01 0.46 0.05 0.00 0.71 0.00 0.00 52.55 53.78 1azf s ASP 52 Cb -0.07 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.77 1azf s ASP 52 CO 0.01 0.39 -0.18 -0.31 0.21 0.00 0.00 175.17 175.29 1azf s TYR 53 N -0.93 1.61 0.00 4.23 1.51 -0.38 -2.20 117.35 121.20 1azf s TYR 53 Ca 0.15 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1azf s TYR 53 Cb -0.12 -1.05 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1azf s TYR 53 CO 0.04 -0.05 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 1azf n GLY 54 N 2.71 -1.72 0.30 0.71 0.00 -0.16 -1.47 105.19 105.56 1azf n GLY 54 Ca -0.15 -1.31 0.09 0.00 0.00 0.00 0.00 46.02 44.65 1azf n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1azf h ILE 55 N 0.00 0.60 -0.55 -0.61 6.09 -1.67 -1.08 117.51 120.29 1azf h ILE 55 Ca 0.00 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1azf h ILE 55 Cb 0.00 0.09 0.00 0.00 0.47 0.00 0.00 36.82 37.38 1azf h ILE 55 CO 0.00 0.09 0.00 0.18 -3.07 0.00 0.00 178.15 175.35 1azf n LEU 56 N -4.99 4.08 -3.85 2.19 4.77 -1.26 -4.01 117.00 113.93 1azf n LEU 56 Ca 0.18 -2.33 -0.33 0.00 -0.03 0.00 0.00 56.01 53.51 1azf n LEU 56 Cb 0.51 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1azf n LEU 56 CO 0.17 0.81 -0.15 0.00 -1.33 0.00 0.00 177.39 176.89 1azf n GLN 57 N 0.88 -1.62 -2.59 3.23 1.13 -0.41 -4.92 117.38 113.08 1azf n GLN 57 Ca 0.22 0.36 -0.42 0.00 -1.94 0.00 0.00 57.00 55.22 1azf n GLN 57 Cb 0.73 -3.93 -0.03 0.00 0.11 0.00 0.00 30.24 27.12 1azf n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1azf s ILE 58 N -3.65 4.54 0.18 5.09 1.01 -0.54 -4.37 121.20 123.47 1azf s ILE 58 Ca 0.33 1.83 -0.30 0.00 0.00 0.00 0.00 60.65 62.51 1azf s ILE 58 Cb -0.14 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.08 1azf s ILE 58 CO 0.89 0.06 1.05 0.21 0.00 0.00 0.00 174.94 177.15 1azf s ASN 59 N 1.17 7.37 0.43 3.58 3.84 -1.26 -1.25 114.94 128.83 1azf s ASN 59 Ca 0.53 2.03 0.30 0.00 0.21 0.00 0.00 52.86 55.93 1azf s ASN 59 Cb -0.22 -2.60 1.21 0.00 -0.55 0.00 0.00 41.25 39.08 1azf s ASN 59 CO 0.23 -0.13 1.88 0.77 -2.79 0.00 0.00 177.10 177.06 1azf h SER 60 N 4.92 0.00 -0.29 -4.21 4.64 -1.43 -1.67 113.55 115.50 1azf h SER 60 Ca -0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.79 1azf h SER 60 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1azf h SER 60 CO 0.71 0.00 -0.09 -0.09 -0.87 0.00 0.00 176.83 176.49 1azf h ARG 61 N 0.00 0.70 0.00 4.77 2.43 -1.84 -3.39 114.38 117.05 1azf h ARG 61 Ca 0.00 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1azf h ARG 61 Cb 0.46 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1azf h ARG 61 CO 0.00 0.77 -0.89 0.91 -1.51 0.00 0.00 179.97 179.26 1azf n TRP 62 N -4.19 0.00 -0.10 2.20 7.02 -1.21 -1.20 117.44 119.97 1azf n TRP 62 Ca 0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.39 1azf n TRP 62 Cb 0.34 0.00 -0.16 0.00 -2.42 0.00 0.00 31.31 29.07 1azf n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1azf n TRP 63 N -1.98 0.05 -4.05 -5.99 7.02 -0.63 -0.73 117.44 111.13 1azf n TRP 63 Ca 0.00 0.02 -0.08 0.00 -1.02 0.00 0.00 57.50 56.41 1azf n TRP 63 Cb 0.44 -1.01 -0.09 0.00 -2.42 0.00 0.00 31.31 28.23 1azf n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1azf s ASN 65 N -2.94 5.80 0.00 0.00 3.04 -0.47 -4.53 114.94 115.84 1azf s ASN 65 Ca 0.12 0.04 0.04 0.00 0.04 0.00 0.00 52.86 53.10 1azf s ASN 65 Cb 0.07 -2.03 0.09 0.00 -1.54 0.00 0.00 41.25 37.84 1azf s ASN 65 CO -0.06 0.07 0.95 -0.90 -3.04 0.00 0.00 177.10 174.12 1azf n ASP 66 N 4.23 2.04 0.00 -4.21 5.75 -1.26 -1.07 116.55 122.03 1azf n ASP 66 Ca -0.16 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 1azf n ASP 66 Cb 0.52 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1azf n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1azf n GLY 67 N 0.03 0.25 0.18 6.12 0.00 -1.26 -4.79 105.19 105.71 1azf n GLY 67 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1azf n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1azf n ARG 68 N -0.95 0.04 -3.91 1.61 1.85 -1.26 -4.96 116.66 109.08 1azf n ARG 68 Ca 0.00 -0.70 -0.32 0.00 -1.00 0.00 0.00 57.85 55.84 1azf n ARG 68 Cb 0.22 -0.51 -0.13 0.00 -1.05 0.00 0.00 32.46 30.99 1azf n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1azf s THR 69 N -0.03 2.78 0.36 8.89 2.01 -1.26 -4.94 115.64 123.45 1azf s THR 69 Ca 0.00 -3.09 -0.28 0.00 0.31 0.00 0.00 61.69 58.63 1azf s THR 69 Cb 0.00 -2.91 -0.12 0.00 0.01 0.00 0.00 72.50 69.48 1azf s THR 69 CO 0.00 -0.78 1.33 -0.81 -0.69 0.00 0.00 174.62 173.67 1azf n PRO 70 N 3.37 2.23 -1.14 4.92 -0.04 -1.26 -2.80 135.00 140.27 1azf n PRO 70 Ca 0.05 0.78 -0.05 0.00 -0.04 0.00 0.00 63.50 64.25 1azf n PRO 70 Cb 0.35 -2.41 -0.02 0.00 -0.04 0.00 0.00 33.50 31.37 1azf n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1azf n GLY 71 N 0.70 0.76 3.87 0.55 0.00 -1.26 -5.01 105.19 104.79 1azf n GLY 71 Ca 0.04 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 1azf n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1azf s SER 72 N -2.90 6.64 0.24 1.61 1.04 -1.12 -5.01 113.70 114.20 1azf s SER 72 Ca 0.00 1.08 0.05 0.00 0.48 0.00 0.00 55.95 57.56 1azf s SER 72 Cb 0.00 -2.29 -0.03 0.00 0.10 0.00 0.00 66.02 63.80 1azf s SER 72 CO 0.00 -0.21 0.35 -0.13 0.98 0.00 0.00 173.24 174.24 1azf s ARG 73 N -3.18 3.40 -0.51 4.02 1.81 -0.34 -4.99 118.95 119.17 1azf s ARG 73 Ca 0.50 -0.78 0.07 0.00 -1.72 0.00 0.00 55.73 53.80 1azf s ARG 73 Cb -0.11 -2.87 0.32 0.00 -0.45 0.00 0.00 34.95 31.84 1azf s ARG 73 CO 0.23 0.42 0.81 -1.71 -0.68 0.00 0.00 175.30 174.36 1azf n ASN 74 N -1.40 2.91 0.07 0.23 4.05 -1.23 -3.68 115.26 116.21 1azf n ASN 74 Ca -0.09 -3.35 0.19 0.00 0.45 0.00 0.00 54.58 51.78 1azf n ASN 74 Cb 0.57 -0.61 0.73 0.00 1.23 0.00 0.00 39.78 41.70 1azf n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1azf h LEU 75 N 3.33 0.00 -1.63 1.20 3.38 -0.92 0.23 115.31 120.90 1azf h LEU 75 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1azf h LEU 75 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1azf h LEU 75 CO 0.70 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.23 1azf n ASN 77 N 0.84 -4.93 -3.54 0.00 3.02 0.80 -4.99 115.26 106.47 1azf n ASN 77 Ca 0.17 -0.96 -0.16 0.00 -0.03 0.00 0.00 54.58 53.60 1azf n ASN 77 Cb 0.45 -1.88 -0.06 0.00 -0.61 0.00 0.00 39.78 37.69 1azf n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1azf s ILE 78 N -3.05 0.00 0.41 2.41 1.10 -1.26 -5.08 121.20 115.72 1azf s ILE 78 Ca 0.06 0.00 -0.23 0.00 -0.51 0.00 0.00 60.65 59.97 1azf s ILE 78 Cb -0.03 -1.00 -0.10 0.00 0.15 0.00 0.00 42.46 41.48 1azf s ILE 78 CO 0.90 0.00 0.99 -2.84 -2.11 0.00 0.00 174.94 171.88 1azf s PRO 79 N -1.04 4.19 0.53 3.50 0.02 -1.26 -1.36 135.00 139.57 1azf s PRO 79 Ca -0.08 1.31 0.25 0.00 0.02 0.00 0.00 61.00 62.50 1azf s PRO 79 Cb -0.01 -2.37 1.46 0.00 0.02 0.00 0.00 34.50 33.60 1azf s PRO 79 CO 0.07 -0.08 2.12 0.00 -0.33 0.00 0.00 177.00 178.77 1azf h SER 81 N 0.00 0.00 0.25 0.00 4.64 -1.92 -0.74 113.55 115.77 1azf h SER 81 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1azf h SER 81 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1azf h SER 81 CO 0.01 0.08 -0.14 0.00 -0.87 0.00 0.00 176.83 175.92 1azf h ALA 82 N 1.92 1.49 0.00 5.18 0.00 -1.74 -1.48 119.26 124.64 1azf h ALA 82 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1azf h ALA 82 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1azf h ALA 82 CO 0.01 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.71 1azf n LEU 83 N -3.97 0.15 -0.49 0.00 4.77 -0.28 -3.24 117.00 113.94 1azf n LEU 83 Ca -0.02 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.61 1azf n LEU 83 Cb 0.23 -0.49 0.35 0.00 -2.33 0.00 0.00 43.42 41.18 1azf n LEU 83 CO 0.33 -0.18 0.70 0.18 -1.33 0.00 0.00 177.39 177.09 1azf n LEU 84 N -1.65 1.65 -4.69 2.23 7.99 -0.56 -4.23 117.00 117.75 1azf n LEU 84 Ca 0.05 -0.54 -0.33 0.00 -0.01 0.00 0.00 56.01 55.18 1azf n LEU 84 Cb 0.27 -0.04 0.13 0.00 -0.11 0.00 0.00 43.42 43.67 1azf n LEU 84 CO 0.21 0.29 0.76 -0.55 -1.51 0.00 0.00 177.39 176.59 1azf s SER 85 N -2.21 3.51 0.38 -1.43 0.15 -1.20 -3.95 113.70 108.95 1azf s SER 85 Ca 0.30 2.34 0.19 0.00 0.70 0.00 0.00 55.95 59.49 1azf s SER 85 Cb 0.20 -2.59 0.66 0.00 -1.71 0.00 0.00 66.02 62.59 1azf s SER 85 CO 0.41 -2.72 1.72 0.77 1.20 0.00 0.00 173.24 174.63 1azf h SER 86 N -1.02 0.00 -3.52 5.45 4.64 -1.94 -3.40 113.55 113.77 1azf h SER 86 Ca -0.46 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.25 1azf h SER 86 Cb 1.29 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.26 1azf h SER 86 CO 0.46 0.36 0.15 -0.62 -0.87 0.00 0.00 176.83 176.31 1azf s ASP 87 N -6.41 6.52 0.00 4.97 -1.08 -1.26 -4.95 116.67 114.46 1azf s ASP 87 Ca 0.00 0.52 0.18 0.00 -0.52 0.00 0.00 52.55 52.74 1azf s ASP 87 Cb 0.11 -2.33 1.08 0.00 -1.46 0.00 0.00 42.92 40.32 1azf s ASP 87 CO 0.68 -0.43 1.70 2.30 0.52 0.00 0.00 175.17 179.94 1azf n ILE 88 N 5.32 0.00 -0.17 4.11 -5.35 -1.26 -4.40 119.36 117.61 1azf n ILE 88 Ca -0.01 -0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.44 1azf n ILE 88 Cb 0.49 -0.28 0.04 0.00 -1.74 0.00 0.00 39.64 38.15 1azf n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1azf h THR 89 N 0.02 0.44 -0.44 7.28 2.02 -1.94 -0.35 112.91 119.93 1azf h THR 89 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1azf h THR 89 Cb 0.00 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1azf h THR 89 CO 0.00 0.00 0.16 0.00 0.37 0.00 0.00 175.52 176.05 1azf h ALA 90 N 1.45 0.57 -0.48 6.16 0.00 -1.88 0.16 119.26 125.24 1azf h ALA 90 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1azf h ALA 90 Cb 0.41 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1azf h ALA 90 CO -0.55 0.20 0.30 0.77 0.00 0.00 0.00 179.25 179.97 1azf h SER 91 N 0.57 0.57 -0.52 0.00 0.02 -1.75 -1.22 113.55 111.21 1azf h SER 91 Ca 0.14 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1azf h SER 91 Cb 0.22 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1azf h SER 91 CO -0.01 0.43 0.25 0.58 -1.14 0.00 0.00 176.83 176.94 1azf h VAL 92 N 0.65 1.20 -0.77 2.27 2.07 -0.65 -0.63 116.25 120.37 1azf h VAL 92 Ca 0.17 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1azf h VAL 92 Cb -0.04 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1azf h VAL 92 CO -0.04 0.22 0.27 0.78 0.02 0.00 0.00 177.57 178.83 1azf h ASN 93 N 0.69 1.10 -0.23 0.57 -0.26 -0.72 -2.04 115.58 114.68 1azf h ASN 93 Ca 0.18 -0.19 -0.17 0.00 -0.56 0.00 0.00 56.30 55.55 1azf h ASN 93 Cb 0.12 -0.29 -0.00 0.00 -1.06 0.00 0.00 38.32 37.09 1azf h ASN 93 CO -0.02 1.00 -0.50 0.00 -1.06 0.00 0.00 177.43 176.84 1azf h ALA 95 N 0.79 0.72 -0.59 0.00 0.00 -0.70 -0.04 119.26 119.45 1azf h ALA 95 Ca 0.02 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1azf h ALA 95 Cb 1.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1azf h ALA 95 CO 0.11 0.16 0.40 0.87 0.00 0.00 0.00 179.25 180.79 1azf h LYS 96 N 0.77 0.31 -0.07 0.00 1.57 -1.41 0.50 116.57 118.23 1azf h LYS 96 Ca 0.21 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1azf h LYS 96 Cb -0.09 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1azf h LYS 96 CO -0.04 0.20 -0.31 0.87 -0.57 0.00 0.00 179.45 179.60 1azf h LYS 97 N 0.32 0.33 -0.02 3.15 1.57 -1.04 -3.06 116.57 117.83 1azf h LYS 97 Ca 0.28 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1azf h LYS 97 Cb 0.67 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1azf h LYS 97 CO -0.07 0.90 -0.07 0.82 -0.57 0.00 0.00 179.45 180.47 1azf h ILE 98 N -0.17 0.82 0.00 1.86 2.04 -0.10 -2.66 117.51 119.29 1azf h ILE 98 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1azf h ILE 98 Cb 0.96 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1azf h ILE 98 CO 0.06 0.00 0.00 1.62 0.00 0.00 0.00 178.15 179.83 1azf h VAL 99 N -0.11 0.00 -0.02 1.67 3.04 -1.05 -1.02 116.25 118.77 1azf h VAL 99 Ca 0.03 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1azf h VAL 99 Cb 0.16 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1azf h VAL 99 CO -0.09 0.00 -0.12 -1.20 -1.01 0.00 0.00 177.57 175.15 1azf n SER 100 N -3.07 1.85 0.03 3.17 7.64 -1.03 -3.65 113.62 118.57 1azf n SER 100 Ca -0.01 -1.50 0.08 0.00 1.01 0.00 0.00 58.87 58.45 1azf n SER 100 Cb 0.19 0.09 0.36 0.00 -1.01 0.00 0.00 64.21 63.85 1azf n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1azf n ASP 101 N 0.27 0.16 0.00 6.43 2.03 -0.39 -4.91 116.55 120.14 1azf n ASP 101 Ca 0.15 0.54 0.00 0.00 0.52 0.00 0.00 54.79 56.00 1azf n ASP 101 Cb 0.43 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 1azf n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1azf n GLY 102 N 0.06 3.80 0.76 0.27 0.00 -1.26 -4.94 105.19 103.88 1azf n GLY 102 Ca 0.03 -0.85 0.10 0.00 0.00 0.00 0.00 46.02 45.30 1azf n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1azf n ASN 103 N 0.00 2.26 0.00 1.61 4.13 -1.26 -5.04 115.26 116.96 1azf n ASN 103 Ca 0.00 -1.83 0.00 0.00 1.68 0.00 0.00 54.58 54.43 1azf n ASN 103 Cb 0.00 -0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.07 1azf n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1azf n GLY 104 N 1.24 2.50 0.00 7.41 0.00 -1.24 -2.41 105.19 112.70 1azf n GLY 104 Ca 0.17 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1azf n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1azf n MET 105 N 11.10 0.98 0.01 1.61 2.81 -1.26 -2.81 117.12 129.56 1azf n MET 105 Ca 0.00 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.97 1azf n MET 105 Cb 0.00 -1.40 0.37 0.00 -0.71 0.00 0.00 33.22 31.48 1azf n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1azf n ASN 106 N -0.90 0.04 0.27 7.83 3.02 -1.01 -1.72 115.26 122.79 1azf n ASN 106 Ca 0.19 0.51 0.14 0.00 -0.03 0.00 0.00 54.58 55.39 1azf n ASN 106 Cb 0.09 -0.52 0.79 0.00 -0.61 0.00 0.00 39.78 39.53 1azf n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1azf h ALA 107 N 2.57 1.26 -2.54 5.41 0.00 -1.69 -3.38 119.26 120.89 1azf h ALA 107 Ca 0.00 -0.08 -0.72 0.00 0.00 0.00 0.00 54.91 54.11 1azf h ALA 107 Cb 0.30 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 17.86 1azf h ALA 107 CO 0.00 0.11 -0.44 -1.58 0.00 0.00 0.00 179.25 177.34 1azf s TRP 108 N -4.19 3.24 0.24 0.00 0.51 -0.70 -4.97 118.94 113.08 1azf s TRP 108 Ca -0.03 -0.70 -0.04 0.00 -2.12 0.00 0.00 56.10 53.21 1azf s TRP 108 Cb 0.13 -2.62 0.45 0.00 -0.81 0.00 0.00 33.47 30.62 1azf s TRP 108 CO 0.56 -0.62 1.74 0.28 -0.51 0.00 0.00 176.95 178.40 1azf h VAL 109 N 5.69 0.69 -0.49 4.03 2.07 -1.85 -1.57 116.25 124.82 1azf h VAL 109 Ca -0.27 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1azf h VAL 109 Cb 1.12 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1azf h VAL 109 CO 0.73 0.09 -0.07 0.00 0.02 0.00 0.00 177.57 178.34 1azf h ALA 110 N 1.53 0.96 0.28 1.67 0.00 -1.93 -1.50 119.26 120.27 1azf h ALA 110 Ca 0.41 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1azf h ALA 110 Cb 0.59 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1azf h ALA 110 CO -0.38 0.62 -0.16 2.35 0.00 0.00 0.00 179.25 181.68 1azf h TRP 111 N 0.79 -0.43 -0.12 0.00 7.01 -1.62 0.28 115.95 121.87 1azf h TRP 111 Ca 0.14 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.18 1azf h TRP 111 Cb 0.57 0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.72 1azf h TRP 111 CO 0.03 -0.26 -0.23 -0.09 -2.79 0.00 0.00 178.44 175.10 1azf h ARG 112 N -0.43 -0.28 0.00 2.65 2.43 -1.20 0.20 114.38 117.74 1azf h ARG 112 Ca -0.03 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1azf h ARG 112 Cb 0.35 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1azf h ARG 112 CO 0.04 -0.19 -0.09 -0.91 -1.51 0.00 0.00 179.97 177.30 1azf h ASN 113 N -0.29 0.00 0.00 -3.80 2.35 -1.20 -3.35 115.58 109.28 1azf h ASN 113 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1azf h ASN 113 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1azf h ASN 113 CO -0.29 0.09 0.00 0.54 -1.65 0.00 0.00 177.43 176.12 1azf n ARG 114 N -3.14 2.99 -0.00 0.81 1.74 0.98 -4.89 116.66 115.14 1azf n ARG 114 Ca 0.03 -0.06 -0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1azf n ARG 114 Cb 0.52 -0.39 -0.00 0.00 -1.02 0.00 0.00 32.46 31.57 1azf n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1azf n LYS 116 N -2.89 1.01 -1.51 0.00 4.81 0.51 -1.94 118.16 118.14 1azf n LYS 116 Ca -0.01 0.37 -0.06 0.00 -0.87 0.00 0.00 58.31 57.74 1azf n LYS 116 Cb 0.50 -2.02 -0.02 0.00 0.02 0.00 0.00 35.03 33.52 1azf n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1azf n GLY 117 N 3.47 0.60 3.59 3.14 0.00 -1.26 -4.97 105.19 109.75 1azf n GLY 117 Ca 0.24 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 1azf n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1azf s THR 118 N -2.26 2.04 -1.22 2.61 -4.23 -0.82 -5.04 115.64 106.72 1azf s THR 118 Ca 0.00 -2.06 -0.20 0.00 -1.18 0.00 0.00 61.69 58.24 1azf s THR 118 Cb 0.00 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 1azf s THR 118 CO 0.00 -0.07 1.87 -0.67 -0.54 0.00 0.00 174.62 175.22 1azf n ASP 119 N -0.90 3.84 0.29 3.99 2.03 -1.26 -4.76 116.55 119.77 1azf n ASP 119 Ca -0.05 -2.80 0.19 0.00 0.52 0.00 0.00 54.79 52.66 1azf n ASP 119 Cb 0.66 -1.69 1.00 0.00 -0.72 0.00 0.00 41.12 40.37 1azf n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1azf h VAL 120 N 5.63 0.00 -0.36 5.18 -1.51 -1.90 -2.33 116.25 120.95 1azf h VAL 120 Ca 0.35 -0.08 0.05 0.00 -1.23 0.00 0.00 66.70 65.79 1azf h VAL 120 Cb 0.87 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 30.98 1azf h VAL 120 CO 1.43 0.00 0.25 1.56 -1.23 0.00 0.00 177.57 179.57 1azf h GLN 121 N 0.00 0.26 -0.37 5.19 4.20 -1.88 -1.10 115.11 121.40 1azf h GLN 121 Ca 0.00 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.80 1azf h GLN 121 Cb 0.09 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1azf h GLN 121 CO 0.00 0.17 0.30 0.00 -0.67 0.00 0.00 178.83 178.63 1azf h ALA 122 N 1.81 2.25 0.00 3.87 0.00 -1.82 -0.57 119.26 124.79 1azf h ALA 122 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1azf h ALA 122 Cb 0.30 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1azf h ALA 122 CO -0.03 -0.49 -0.18 -1.49 0.00 0.00 0.00 179.25 177.06 1azf h TRP 123 N 0.00 0.00 -0.06 0.00 4.06 -1.42 -2.88 115.95 115.66 1azf h TRP 123 Ca 0.18 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.13 1azf h TRP 123 Cb 0.77 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.93 1azf h TRP 123 CO 0.00 0.18 0.00 0.44 -3.56 0.00 0.00 178.44 175.50 1azf n ILE 124 N -3.51 0.09 -1.70 1.49 -5.35 -0.25 -4.80 119.36 105.33 1azf n ILE 124 Ca -0.01 -0.54 -0.44 0.00 -0.27 0.00 0.00 62.75 61.49 1azf n ILE 124 Cb 0.33 1.25 -0.03 0.00 -1.74 0.00 0.00 39.64 39.45 1azf n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1azf n ARG 125 N 0.86 2.39 -0.82 6.28 0.63 -1.05 -2.66 116.66 122.29 1azf n ARG 125 Ca 0.09 0.86 0.00 0.00 -0.92 0.00 0.00 57.85 57.88 1azf n ARG 125 Cb 0.39 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.68 1azf n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1azf n GLY 126 N 2.83 0.93 3.88 5.14 0.00 -1.26 -5.02 105.19 111.67 1azf n GLY 126 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1azf n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1azf s ARG 128 N -1.88 3.44 0.00 0.00 0.52 -1.26 -5.14 118.95 114.63 1azf s ARG 128 Ca 0.31 -1.39 0.23 0.00 -0.52 0.00 0.00 55.73 54.36 1azf s ARG 128 Cb -0.14 -4.75 1.40 0.00 0.52 0.00 0.00 34.95 31.98 1azf s ARG 128 CO 0.18 -1.84 1.76 1.28 0.02 0.00 0.00 175.30 176.70