#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kzw n PHE 2 N 0.00 1.61 -2.71 0.00 3.72 -1.26 -5.02 117.46 113.79 1kzw n PHE 2 Ca 0.00 -3.85 -0.43 0.00 -0.05 0.00 0.00 57.45 53.11 1kzw n PHE 2 Cb 0.00 -0.45 -0.01 0.00 -0.94 0.00 0.00 39.48 38.09 1kzw n PHE 2 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1kzw s ASP 3 N -2.20 6.83 0.27 4.37 -1.08 -1.26 -4.59 116.67 119.02 1kzw s ASP 3 Ca 0.40 -2.41 -0.14 0.00 -0.52 0.00 0.00 52.55 49.88 1kzw s ASP 3 Cb 0.22 -2.51 0.05 0.00 -1.46 0.00 0.00 42.92 39.22 1kzw s ASP 3 CO -0.08 -1.09 0.71 -0.24 0.52 0.00 0.00 175.17 174.99 1kzw n SER 4 N 7.52 -1.76 -4.62 -0.34 2.88 -1.03 -5.00 113.62 111.27 1kzw n SER 4 Ca 0.41 -2.14 -0.38 0.00 -1.33 0.00 0.00 58.87 55.42 1kzw n SER 4 Cb 0.46 2.91 -0.09 0.00 -0.75 0.00 0.00 64.21 66.74 1kzw n SER 4 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1kzw s THR 5 N -2.22 5.24 -0.25 2.46 2.01 -1.26 -1.45 115.64 120.16 1kzw s THR 5 Ca 0.15 0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.60 1kzw s THR 5 Cb -0.04 -3.63 0.05 0.00 0.01 0.00 0.00 72.50 68.89 1kzw s THR 5 CO 0.08 0.22 -0.10 0.26 -0.69 0.00 0.00 174.62 174.39 1kzw s TRP 6 N 1.73 3.18 -0.17 4.92 0.52 0.04 -0.53 118.94 128.61 1kzw s TRP 6 Ca 0.12 -2.08 -0.11 0.00 0.02 0.00 0.00 56.10 54.05 1kzw s TRP 6 Cb -0.15 -1.97 -0.05 0.00 -1.15 0.00 0.00 33.47 30.15 1kzw s TRP 6 CO 0.09 -0.84 0.20 0.21 0.02 0.00 0.00 176.95 176.63 1kzw s LYS 7 N 1.17 4.14 -0.04 4.98 2.47 -0.33 -0.74 119.74 131.40 1kzw s LYS 7 Ca -0.05 -0.07 -0.30 0.00 -1.56 0.00 0.00 55.97 53.98 1kzw s LYS 7 Cb -0.19 -3.40 -0.06 0.00 -1.46 0.00 0.00 37.83 32.73 1kzw s LYS 7 CO -0.06 0.33 1.64 0.54 0.16 0.00 0.00 175.35 177.96 1kzw s VAL 8 N 0.23 3.53 -0.21 4.02 0.11 -0.57 -0.82 120.40 126.69 1kzw s VAL 8 Ca 0.12 0.70 -0.16 0.00 -2.93 0.00 0.00 61.98 59.72 1kzw s VAL 8 Cb -0.12 -3.45 -0.08 0.00 -1.53 0.00 0.00 36.38 31.20 1kzw s VAL 8 CO 0.01 -0.05 -0.34 -0.67 -3.33 0.00 0.00 175.10 170.72 1kzw n ASP 9 N 6.84 1.90 -3.68 3.54 2.03 0.00 -4.89 116.55 122.29 1kzw n ASP 9 Ca 0.17 0.32 -0.16 0.00 0.52 0.00 0.00 54.79 55.64 1kzw n ASP 9 Cb 0.43 -0.75 -0.15 0.00 -0.72 0.00 0.00 41.12 39.92 1kzw n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kzw s ARG 10 N -2.72 0.05 -0.26 -0.67 1.70 -1.12 -5.01 118.95 110.92 1kzw s ARG 10 Ca -0.32 0.53 -0.11 0.00 -0.47 0.00 0.00 55.73 55.36 1kzw s ARG 10 Cb 0.08 -0.24 -0.05 0.00 -0.57 0.00 0.00 34.95 34.17 1kzw s ARG 10 CO 0.44 -0.28 0.18 -1.54 -1.08 0.00 0.00 175.30 173.02 1kzw s SER 11 N 2.05 6.08 0.09 -2.89 1.04 -1.26 -1.28 113.70 117.53 1kzw s SER 11 Ca 0.00 0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.40 1kzw s SER 11 Cb -0.12 -2.12 -0.19 0.00 0.10 0.00 0.00 66.02 63.69 1kzw s SER 11 CO -0.06 0.00 1.22 -0.33 0.98 0.00 0.00 173.24 175.05 1kzw h GLU 12 N 7.92 0.57 0.00 4.02 5.08 -0.87 -3.44 114.58 127.86 1kzw h GLU 12 Ca -0.36 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.35 1kzw h GLU 12 Cb 1.18 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1kzw h GLU 12 CO 0.61 1.25 0.00 -1.71 -1.00 0.00 0.00 179.01 178.16 1kzw n ASN 13 N -3.79 0.00 -3.35 1.42 2.85 -1.26 -4.96 115.26 106.17 1kzw n ASN 13 Ca -0.10 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.15 1kzw n ASN 13 Cb 0.89 -0.01 -0.01 0.00 1.24 0.00 0.00 39.78 41.88 1kzw n ASN 13 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1kzw n TYR 14 N -1.31 -1.72 0.07 1.20 9.36 -1.26 -4.72 117.16 118.78 1kzw n TYR 14 Ca 0.00 0.42 0.00 0.00 3.32 0.00 0.00 57.90 61.64 1kzw n TYR 14 Cb 0.00 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.12 1kzw n TYR 14 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1kzw n ASP 15 N -2.19 -0.82 -0.20 2.98 2.03 -1.26 -4.61 116.55 112.48 1kzw n ASP 15 Ca -0.01 0.26 -0.10 0.00 0.52 0.00 0.00 54.79 55.47 1kzw n ASP 15 Cb 0.53 0.96 0.02 0.00 -0.72 0.00 0.00 41.12 41.91 1kzw n ASP 15 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1kzw h LYS 16 N 0.00 1.00 -0.48 -0.67 1.57 -1.99 0.80 116.57 116.80 1kzw h LYS 16 Ca 0.00 -0.33 0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1kzw h LYS 16 Cb 0.00 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.13 1kzw h LYS 16 CO 0.00 1.00 -0.50 0.35 -0.57 0.00 0.00 179.45 179.73 1kzw h PHE 17 N 0.88 -1.51 -0.61 -1.35 3.57 -1.90 -1.21 116.94 114.81 1kzw h PHE 17 Ca 0.16 0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 1kzw h PHE 17 Cb 0.56 0.73 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 1kzw h PHE 17 CO 0.04 -0.46 0.14 0.52 -2.23 0.00 0.00 178.31 176.32 1kzw h MET 18 N -0.32 0.96 -0.72 1.11 2.86 -1.80 -1.08 114.93 115.93 1kzw h MET 18 Ca 0.12 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1kzw h MET 18 Cb 0.58 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 1kzw h MET 18 CO -0.63 0.85 0.45 1.49 1.06 0.00 0.00 176.91 180.14 1kzw h GLU 19 N 0.91 0.96 0.00 1.72 4.81 -0.84 -2.12 114.58 120.02 1kzw h GLU 19 Ca 0.20 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1kzw h GLU 19 Cb 0.33 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1kzw h GLU 19 CO 0.00 0.66 -0.28 -0.22 -0.73 0.00 0.00 179.01 178.44 1kzw h LYS 20 N 0.97 0.00 -0.48 1.92 3.64 -1.05 -2.29 116.57 119.28 1kzw h LYS 20 Ca 0.26 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1kzw h LYS 20 Cb -0.07 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1kzw h LYS 20 CO -0.05 0.28 0.32 0.52 -2.27 0.00 0.00 179.45 178.24 1kzw h MET 21 N 0.00 0.61 0.00 1.90 2.86 -1.08 -3.49 114.93 115.74 1kzw h MET 21 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1kzw h MET 21 Cb 0.53 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1kzw h MET 21 CO 0.04 0.41 0.00 0.41 1.06 0.00 0.00 176.91 178.82 1kzw n GLY 22 N -1.47 0.77 3.22 8.32 0.00 -0.82 -5.10 105.19 110.11 1kzw n GLY 22 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1kzw n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kzw s VAL 23 N -1.44 1.44 0.79 1.61 -7.23 -1.07 -5.04 120.40 109.46 1kzw s VAL 23 Ca 0.00 -1.28 -0.11 0.00 -1.81 0.00 0.00 61.98 58.78 1kzw s VAL 23 Cb 0.00 -1.31 0.07 0.00 0.56 0.00 0.00 36.38 35.70 1kzw s VAL 23 CO 0.00 -0.01 1.09 0.20 -0.31 0.00 0.00 175.10 176.07 1kzw s ASN 24 N -1.50 4.45 0.27 4.85 0.01 -1.26 -4.52 114.94 117.23 1kzw s ASN 24 Ca 0.04 1.57 -0.01 0.00 -0.71 0.00 0.00 52.86 53.74 1kzw s ASN 24 Cb -0.09 -2.31 0.58 0.00 0.41 0.00 0.00 41.25 39.84 1kzw s ASN 24 CO 0.03 -2.03 1.68 -0.29 -1.51 0.00 0.00 177.10 174.98 1kzw h ILE 25 N -1.13 0.47 -0.21 0.60 -0.00 -2.01 -0.37 117.51 114.87 1kzw h ILE 25 Ca -0.46 -0.10 0.05 0.00 -0.00 0.00 0.00 64.86 64.34 1kzw h ILE 25 Cb 1.25 0.14 -0.05 0.00 -0.00 0.00 0.00 36.82 38.16 1kzw h ILE 25 CO 0.55 0.06 -0.09 0.58 -0.00 0.00 0.00 178.15 179.24 1kzw h VAL 26 N 0.30 0.70 -0.73 2.19 2.07 -2.00 -1.19 116.25 117.59 1kzw h VAL 26 Ca 0.48 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.96 1kzw h VAL 26 Cb 0.88 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1kzw h VAL 26 CO -0.54 0.00 0.27 0.11 0.02 0.00 0.00 177.57 177.43 1kzw h LYS 27 N -0.07 1.10 -0.33 1.57 1.79 -1.83 -2.24 116.57 116.56 1kzw h LYS 27 Ca 0.11 -0.21 0.04 0.00 -2.18 0.00 0.00 60.65 58.41 1kzw h LYS 27 Cb 0.23 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 1kzw h LYS 27 CO -0.25 0.92 0.11 0.00 -1.08 0.00 0.00 179.45 179.14 1kzw h ARG 28 N 1.06 0.24 -0.67 3.15 3.08 -0.89 -0.01 114.38 120.33 1kzw h ARG 28 Ca 0.24 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 1kzw h ARG 28 Cb 0.24 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1kzw h ARG 28 CO -0.02 0.16 0.13 1.57 -1.07 0.00 0.00 179.97 180.74 1kzw h LYS 29 N 0.25 1.09 0.18 0.04 5.09 -1.27 -2.47 116.57 119.48 1kzw h LYS 29 Ca 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 60.65 60.60 1kzw h LYS 29 Cb 0.13 -0.14 0.00 0.00 0.10 0.00 0.00 32.23 32.32 1kzw h LYS 29 CO -0.16 0.99 -0.09 -0.07 -2.09 0.00 0.00 179.45 178.03 1kzw h LEU 30 N 1.03 -0.20 -0.27 7.07 3.38 -1.34 -2.28 115.31 122.70 1kzw h LEU 30 Ca 0.21 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1kzw h LEU 30 Cb 0.41 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1kzw h LEU 30 CO 0.01 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.83 1kzw n ALA 31 N -2.51 1.94 0.06 1.53 0.00 -0.03 -3.05 120.51 118.46 1kzw n ALA 31 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1kzw n ALA 31 Cb 0.26 -1.40 -0.08 0.00 0.00 0.00 0.00 19.45 18.24 1kzw n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kzw h ALA 32 N 2.49 -0.23 -0.42 0.00 0.00 -1.56 -3.40 119.26 116.14 1kzw h ALA 32 Ca 0.00 -0.22 -0.72 0.00 0.00 0.00 0.00 54.91 53.97 1kzw h ALA 32 Cb 0.48 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1kzw h ALA 32 CO 0.00 -0.31 2.88 0.72 0.00 0.00 0.00 179.25 182.54 1kzw n HIS 33 N -4.93 2.70 -0.07 0.00 8.25 -0.86 -4.57 115.22 115.74 1kzw n HIS 33 Ca -0.08 -2.92 0.00 0.00 -0.26 0.00 0.00 57.72 54.46 1kzw n HIS 33 Cb 0.26 -2.14 0.00 0.00 1.12 0.00 0.00 29.99 29.23 1kzw n HIS 33 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1kzw n ASP 34 N 3.13 1.78 -3.58 0.41 5.68 -1.23 -4.89 116.55 117.85 1kzw n ASP 34 Ca 0.63 -1.85 -0.27 0.00 -0.50 0.00 0.00 54.79 52.81 1kzw n ASP 34 Cb 0.28 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.30 1kzw n ASP 34 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1kzw n ASN 35 N -0.42 -5.17 -4.65 -1.12 6.94 -1.26 -0.51 115.26 109.05 1kzw n ASN 35 Ca 0.00 -0.93 -0.43 0.00 -0.02 0.00 0.00 54.58 53.21 1kzw n ASN 35 Cb 0.24 -3.88 -0.02 0.00 -2.36 0.00 0.00 39.78 33.76 1kzw n ASN 35 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1kzw s LEU 36 N -6.24 4.12 -0.25 -4.53 2.96 -1.26 -4.30 118.68 109.19 1kzw s LEU 36 Ca 0.42 1.59 -0.00 0.00 -0.22 0.00 0.00 54.13 55.91 1kzw s LEU 36 Cb -0.12 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.06 1kzw s LEU 36 CO 0.83 -0.83 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.20 1kzw s LYS 37 N 3.64 2.71 -0.43 1.98 2.20 0.25 -1.52 119.74 128.57 1kzw s LYS 37 Ca 0.55 -1.05 -0.18 0.00 -0.36 0.00 0.00 55.97 54.92 1kzw s LYS 37 Cb -0.20 -2.93 0.03 0.00 -1.51 0.00 0.00 37.83 33.21 1kzw s LYS 37 CO 0.16 -0.43 0.51 -0.51 -0.36 0.00 0.00 175.35 174.73 1kzw s LEU 38 N 1.27 4.77 -0.67 5.43 1.43 0.08 -1.45 118.68 129.54 1kzw s LEU 38 Ca -0.01 -0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 52.29 1kzw s LEU 38 Cb -0.17 -2.50 0.09 0.00 0.03 0.00 0.00 46.19 43.65 1kzw s LEU 38 CO -0.05 -0.66 0.89 -0.89 0.23 0.00 0.00 176.35 175.86 1kzw s THR 39 N 2.38 4.58 -0.24 5.49 2.01 -0.34 -0.78 115.64 128.73 1kzw s THR 39 Ca 0.15 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.28 1kzw s THR 39 Cb -0.16 -4.62 -0.05 0.00 0.01 0.00 0.00 72.50 67.68 1kzw s THR 39 CO 0.15 -1.34 0.13 -0.63 -0.69 0.00 0.00 174.62 172.25 1kzw s ILE 40 N 3.33 5.11 -0.10 1.82 1.01 -0.53 -1.49 121.20 130.35 1kzw s ILE 40 Ca 0.19 0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.87 1kzw s ILE 40 Cb -0.18 -3.38 0.04 0.00 0.01 0.00 0.00 42.46 38.95 1kzw s ILE 40 CO 0.06 0.35 0.25 0.28 0.00 0.00 0.00 174.94 175.88 1kzw s THR 41 N 1.10 -0.02 0.24 2.92 -1.32 -0.73 -2.45 115.64 115.37 1kzw s THR 41 Ca 0.06 0.07 -0.18 0.00 -1.21 0.00 0.00 61.69 60.43 1kzw s THR 41 Cb -0.14 -0.37 -0.08 0.00 -1.51 0.00 0.00 72.50 70.40 1kzw s THR 41 CO 0.04 0.03 0.71 0.00 -2.21 0.00 0.00 174.62 173.19 1kzw s GLN 42 N 0.69 4.18 -0.40 7.08 0.00 -1.26 -1.03 119.66 128.91 1kzw s GLN 42 Ca -0.05 0.80 0.05 0.00 -0.00 0.00 0.00 55.36 56.16 1kzw s GLN 42 Cb -0.06 -2.80 0.17 0.00 0.00 0.00 0.00 33.01 30.32 1kzw s GLN 42 CO -0.04 0.35 0.47 -1.83 0.00 0.00 0.00 175.29 174.24 1kzw s GLU 43 N -2.17 0.76 -0.57 9.60 4.04 0.83 -4.97 118.70 126.22 1kzw s GLU 43 Ca 0.45 -0.87 -0.03 0.00 0.04 0.00 0.00 54.97 54.56 1kzw s GLU 43 Cb -0.15 -0.52 -0.04 0.00 0.02 0.00 0.00 34.13 33.44 1kzw s GLU 43 CO 0.20 -1.23 0.50 0.41 -1.84 0.00 0.00 175.26 173.30 1kzw n GLY 44 N 4.00 -0.31 4.25 -3.83 0.00 -1.26 -3.26 105.19 104.78 1kzw n GLY 44 Ca 0.14 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1kzw n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kzw n ASN 45 N -2.36 0.00 -4.48 1.61 5.15 -1.26 -4.99 115.26 108.93 1kzw n ASN 45 Ca -0.04 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.61 1kzw n ASN 45 Cb 0.56 -1.76 -0.12 0.00 -0.53 0.00 0.00 39.78 37.93 1kzw n ASN 45 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1kzw s LYS 46 N -0.47 3.52 -0.30 1.20 1.02 -1.20 -1.62 119.74 121.89 1kzw s LYS 46 Ca 0.00 -0.56 -0.12 0.00 0.02 0.00 0.00 55.97 55.31 1kzw s LYS 46 Cb 0.00 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 1kzw s LYS 46 CO 0.00 0.28 0.22 -0.06 -0.92 0.00 0.00 175.35 174.87 1kzw s PHE 47 N 0.24 3.22 -0.37 3.18 0.08 0.42 -0.12 117.98 124.64 1kzw s PHE 47 Ca -0.04 0.03 -0.24 0.00 0.12 0.00 0.00 56.93 56.80 1kzw s PHE 47 Cb -0.14 -2.43 0.01 0.00 -0.57 0.00 0.00 43.02 39.88 1kzw s PHE 47 CO 0.03 -0.24 0.82 0.99 -0.10 0.00 0.00 175.22 176.73 1kzw s THR 48 N 1.78 4.69 -0.34 0.64 2.01 -0.20 -1.70 115.64 122.51 1kzw s THR 48 Ca 0.07 0.96 0.03 0.00 0.31 0.00 0.00 61.69 63.06 1kzw s THR 48 Cb -0.16 -4.25 0.10 0.00 0.01 0.00 0.00 72.50 68.20 1kzw s THR 48 CO 0.11 -0.47 0.07 -0.69 -0.69 0.00 0.00 174.62 172.95 1kzw s VAL 49 N 3.21 2.05 -0.37 3.82 1.01 -0.57 -1.78 120.40 127.78 1kzw s VAL 49 Ca 0.33 -2.24 -0.23 0.00 0.00 0.00 0.00 61.98 59.84 1kzw s VAL 49 Cb -0.13 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1kzw s VAL 49 CO 0.18 -0.63 0.80 -0.54 0.00 0.00 0.00 175.10 174.91 1kzw s LYS 50 N 0.96 3.74 -0.94 2.72 1.02 -0.56 -2.32 119.74 124.37 1kzw s LYS 50 Ca 0.11 0.32 -0.04 0.00 0.02 0.00 0.00 55.97 56.38 1kzw s LYS 50 Cb -0.19 -3.82 0.23 0.00 -0.52 0.00 0.00 37.83 33.54 1kzw s LYS 50 CO -0.10 -0.87 0.85 -1.21 -0.92 0.00 0.00 175.35 173.09 1kzw s GLU 51 N 3.15 3.49 -0.37 1.68 2.02 -0.22 -1.20 118.70 127.24 1kzw s GLU 51 Ca 0.32 -3.22 -0.21 0.00 0.02 0.00 0.00 54.97 51.88 1kzw s GLU 51 Cb -0.13 -4.11 0.01 0.00 0.10 0.00 0.00 34.13 30.00 1kzw s GLU 51 CO 0.17 -1.26 0.66 -1.12 0.02 0.00 0.00 175.26 173.74 1kzw s SER 52 N 0.30 6.43 0.16 -0.19 0.01 -0.53 -1.22 113.70 118.66 1kzw s SER 52 Ca 0.28 0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.63 1kzw s SER 52 Cb -0.08 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1kzw s SER 52 CO -0.11 -0.65 0.08 -0.94 0.41 0.00 0.00 173.24 172.03 1kzw s SER 53 N 1.84 0.37 -0.66 2.44 1.04 -1.26 -0.58 113.70 116.88 1kzw s SER 53 Ca 0.25 -1.28 -0.05 0.00 0.48 0.00 0.00 55.95 55.35 1kzw s SER 53 Cb -0.14 0.30 -0.08 0.00 0.10 0.00 0.00 66.02 66.20 1kzw s SER 53 CO 0.16 -0.75 2.16 0.00 0.98 0.00 0.00 173.24 175.78 1kzw n ALA 54 N -0.19 4.53 0.03 5.32 0.00 0.33 -3.67 120.51 126.87 1kzw n ALA 54 Ca -0.03 -1.73 0.00 0.00 0.00 0.00 0.00 53.44 51.69 1kzw n ALA 54 Cb 0.65 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 17.30 1kzw n ALA 54 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1kzw n PHE 55 N 3.78 -2.38 0.00 0.00 -0.00 -1.26 -4.89 117.46 112.71 1kzw n PHE 55 Ca 0.39 0.23 0.00 0.00 -0.00 0.00 0.00 57.45 58.07 1kzw n PHE 55 Cb 0.24 0.91 0.00 0.00 -0.00 0.00 0.00 39.48 40.63 1kzw n PHE 55 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1kzw n ARG 56 N -2.88 0.00 -3.41 -4.13 1.74 -1.24 -5.03 116.66 101.72 1kzw n ARG 56 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 1kzw n ARG 56 Cb 0.00 -0.08 0.03 0.00 -1.02 0.00 0.00 32.46 31.39 1kzw n ARG 56 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1kzw n ASN 57 N -1.14 -6.35 -4.08 0.55 3.02 -0.36 -4.89 115.26 102.00 1kzw n ASN 57 Ca 0.00 -0.63 -0.31 0.00 -0.03 0.00 0.00 54.58 53.61 1kzw n ASN 57 Cb 0.00 -4.09 -0.16 0.00 -0.61 0.00 0.00 39.78 34.92 1kzw n ASN 57 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1kzw s ILE 58 N -3.21 1.79 -0.75 2.41 -4.36 -1.14 -4.91 121.20 111.03 1kzw s ILE 58 Ca 0.23 -0.79 -0.17 0.00 -0.26 0.00 0.00 60.65 59.66 1kzw s ILE 58 Cb -0.06 -1.63 0.14 0.00 1.25 0.00 0.00 42.46 42.16 1kzw s ILE 58 CO 0.81 0.50 0.83 -1.83 0.24 0.00 0.00 174.94 175.48 1kzw s GLU 59 N 1.23 3.35 -0.36 0.37 -1.05 -1.26 -1.06 118.70 119.92 1kzw s GLU 59 Ca 0.01 -1.77 -0.15 0.00 -0.15 0.00 0.00 54.97 52.91 1kzw s GLU 59 Cb -0.14 -4.48 -0.01 0.00 -0.44 0.00 0.00 34.13 29.06 1kzw s GLU 59 CO -0.08 -1.53 0.32 0.08 0.95 0.00 0.00 175.26 175.00 1kzw s VAL 60 N 1.94 5.21 -0.61 1.83 1.01 -0.98 -4.89 120.40 123.91 1kzw s VAL 60 Ca 0.19 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 1kzw s VAL 60 Cb -0.15 -3.82 0.15 0.00 0.00 0.00 0.00 36.38 32.56 1kzw s VAL 60 CO -0.02 -0.12 0.58 -0.69 0.00 0.00 0.00 175.10 174.85 1kzw s VAL 61 N 1.88 5.26 -0.07 2.92 1.01 -1.26 -1.51 120.40 128.64 1kzw s VAL 61 Ca 0.09 -1.67 0.02 0.00 0.00 0.00 0.00 61.98 60.41 1kzw s VAL 61 Cb -0.17 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1kzw s VAL 61 CO 0.11 -0.93 -0.11 0.72 0.00 0.00 0.00 175.10 174.89 1kzw s PHE 62 N 1.39 2.82 0.37 5.22 -0.12 -0.69 -4.92 117.98 122.05 1kzw s PHE 62 Ca 0.07 -0.17 -0.23 0.00 -0.05 0.00 0.00 56.93 56.55 1kzw s PHE 62 Cb -0.25 -1.71 -0.10 0.00 -0.63 0.00 0.00 43.02 40.33 1kzw s PHE 62 CO 0.01 0.17 0.93 -2.00 -0.05 0.00 0.00 175.22 174.27 1kzw s GLU 63 N -0.53 4.38 -0.32 1.99 2.12 -1.26 -0.44 118.70 124.64 1kzw s GLU 63 Ca 0.07 1.18 -0.28 0.00 0.36 0.00 0.00 54.97 56.31 1kzw s GLU 63 Cb -0.12 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.75 1kzw s GLU 63 CO 0.02 0.13 1.91 -0.51 -0.54 0.00 0.00 175.26 176.27 1kzw s LEU 64 N -2.62 3.48 0.00 2.70 1.43 -0.64 -3.24 118.68 119.78 1kzw s LEU 64 Ca 0.56 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 1kzw s LEU 64 Cb -0.14 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1kzw s LEU 64 CO 0.18 -1.83 0.00 0.61 0.23 0.00 0.00 176.35 175.55 1kzw n GLY 65 N 5.53 0.59 3.04 -3.19 0.00 -0.94 -4.99 105.19 105.22 1kzw n GLY 65 Ca 0.25 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1kzw n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kzw s VAL 66 N -2.71 0.87 -0.63 1.61 0.11 -1.20 -5.06 120.40 113.39 1kzw s VAL 66 Ca 0.00 -0.45 -0.25 0.00 -2.93 0.00 0.00 61.98 58.35 1kzw s VAL 66 Cb 0.00 -0.75 0.05 0.00 -1.53 0.00 0.00 36.38 34.15 1kzw s VAL 66 CO 0.00 0.26 1.07 -0.89 -3.33 0.00 0.00 175.10 172.20 1kzw s THR 67 N -0.08 4.15 0.23 5.04 2.01 -1.26 -4.07 115.64 121.67 1kzw s THR 67 Ca 0.01 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.30 1kzw s THR 67 Cb -0.06 -4.70 -0.05 0.00 0.01 0.00 0.00 72.50 67.70 1kzw s THR 67 CO 0.00 -1.43 -0.09 0.72 -0.69 0.00 0.00 174.62 173.13 1kzw s PHE 68 N 4.56 1.75 -0.21 4.92 -0.71 -0.42 -4.76 117.98 123.12 1kzw s PHE 68 Ca 0.31 -0.68 -0.23 0.00 -1.04 0.00 0.00 56.93 55.29 1kzw s PHE 68 Cb -0.12 -0.92 -0.01 0.00 -1.21 0.00 0.00 43.02 40.76 1kzw s PHE 68 CO 0.17 0.26 0.75 -0.80 -1.34 0.00 0.00 175.22 174.26 1kzw s ASN 69 N -3.35 6.79 -0.14 1.98 -0.87 -1.26 -2.03 114.94 116.06 1kzw s ASN 69 Ca 0.25 0.98 -0.00 0.00 -1.57 0.00 0.00 52.86 52.52 1kzw s ASN 69 Cb 0.02 -2.41 0.03 0.00 -0.02 0.00 0.00 41.25 38.88 1kzw s ASN 69 CO 0.09 -0.40 -0.08 -0.47 -2.57 0.00 0.00 177.10 173.66 1kzw s TYR 70 N 2.38 1.73 -0.27 2.20 5.04 0.46 -4.97 117.35 123.93 1kzw s TYR 70 Ca 0.33 -1.00 -0.12 0.00 -2.44 0.00 0.00 57.07 53.85 1kzw s TYR 70 Cb -0.16 -1.35 -0.05 0.00 0.35 0.00 0.00 41.96 40.76 1kzw s TYR 70 CO 0.10 -0.59 0.23 -0.80 -1.34 0.00 0.00 175.55 173.14 1kzw s ASN 71 N 1.63 6.10 0.86 4.32 0.01 -1.26 -0.61 114.94 125.98 1kzw s ASN 71 Ca 0.03 0.10 -0.12 0.00 -0.71 0.00 0.00 52.86 52.16 1kzw s ASN 71 Cb -0.14 -2.14 0.11 0.00 0.41 0.00 0.00 41.25 39.49 1kzw s ASN 71 CO -0.08 -0.05 1.10 -0.76 -1.51 0.00 0.00 177.10 175.80 1kzw s LEU 72 N 1.66 2.31 -0.36 0.60 1.43 -0.44 -4.95 118.68 118.93 1kzw s LEU 72 Ca 0.09 1.25 -0.05 0.00 -1.03 0.00 0.00 54.13 54.39 1kzw s LEU 72 Cb -0.15 -3.73 -0.16 0.00 0.03 0.00 0.00 46.19 42.18 1kzw s LEU 72 CO 0.09 -2.34 2.74 0.00 0.23 0.00 0.00 176.35 177.07 1kzw n ALA 73 N -3.66 5.30 0.05 4.21 0.00 -1.26 -4.01 120.51 121.13 1kzw n ALA 73 Ca 0.07 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.76 1kzw n ALA 73 Cb 0.57 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1kzw n ALA 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1kzw n ASP 74 N 3.01 -0.83 0.00 0.00 2.03 -1.26 -4.87 116.55 114.63 1kzw n ASP 74 Ca 0.40 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.91 1kzw n ASP 74 Cb 0.54 1.10 0.00 0.00 -0.72 0.00 0.00 41.12 42.04 1kzw n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kzw n GLY 75 N -1.48 -2.01 3.44 0.27 0.00 -1.26 -5.17 105.19 98.99 1kzw n GLY 75 Ca 0.00 0.96 -0.06 0.00 0.00 0.00 0.00 46.02 46.93 1kzw n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kzw s THR 76 N 0.00 -0.70 -0.19 2.61 2.01 -1.26 -5.02 115.64 113.08 1kzw s THR 76 Ca 0.00 0.09 -0.16 0.00 0.31 0.00 0.00 61.69 61.93 1kzw s THR 76 Cb 0.00 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1kzw s THR 76 CO 0.00 0.04 0.39 -0.70 -0.69 0.00 0.00 174.62 173.66 1kzw s GLU 77 N 2.57 4.19 0.09 4.92 2.12 -1.26 -1.33 118.70 130.00 1kzw s GLU 77 Ca -0.04 0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.52 1kzw s GLU 77 Cb -0.11 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 1kzw s GLU 77 CO -0.16 -0.01 0.05 -0.51 -0.54 0.00 0.00 175.26 174.10 1kzw s LEU 78 N 1.21 3.69 -0.15 2.70 1.43 0.22 -2.66 118.68 125.11 1kzw s LEU 78 Ca 0.19 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1kzw s LEU 78 Cb -0.15 -2.39 0.04 0.00 0.03 0.00 0.00 46.19 43.72 1kzw s LEU 78 CO 0.08 0.17 -0.07 -0.13 0.23 0.00 0.00 176.35 176.63 1kzw s ARG 79 N -2.39 1.53 0.00 1.70 0.52 0.44 -0.41 118.95 120.35 1kzw s ARG 79 Ca 0.28 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 1kzw s ARG 79 Cb -0.12 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.46 1kzw s ARG 79 CO 0.21 -0.37 0.00 0.41 0.02 0.00 0.00 175.30 175.57 1kzw n GLY 80 N 4.88 -0.65 3.05 -3.53 0.00 -0.86 -1.59 105.19 106.49 1kzw n GLY 80 Ca -0.12 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1kzw n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kzw s THR 81 N -3.00 1.53 -0.34 2.61 -4.23 -0.53 -1.30 115.64 110.38 1kzw s THR 81 Ca 0.00 -0.65 -0.26 0.00 -1.18 0.00 0.00 61.69 59.60 1kzw s THR 81 Cb 0.00 -1.41 0.01 0.00 1.34 0.00 0.00 72.50 72.44 1kzw s THR 81 CO 0.00 0.45 0.94 0.26 -0.54 0.00 0.00 174.62 175.73 1kzw s TRP 82 N 1.14 3.12 -0.10 3.99 0.52 -1.26 -1.20 118.94 125.15 1kzw s TRP 82 Ca -0.03 0.89 0.02 0.00 0.02 0.00 0.00 56.10 57.00 1kzw s TRP 82 Cb -0.14 -3.58 -0.01 0.00 -1.15 0.00 0.00 33.47 28.58 1kzw s TRP 82 CO -0.04 -0.76 -0.16 -1.12 0.02 0.00 0.00 176.95 174.88 1kzw s SER 83 N 1.77 3.80 -0.47 2.95 0.01 -0.41 -2.22 113.70 119.14 1kzw s SER 83 Ca 0.39 -0.35 -0.24 0.00 1.31 0.00 0.00 55.95 57.07 1kzw s SER 83 Cb -0.12 -1.33 0.03 0.00 0.21 0.00 0.00 66.02 64.80 1kzw s SER 83 CO 0.17 0.21 0.84 -0.22 0.41 0.00 0.00 173.24 174.65 1kzw s LEU 84 N 0.05 4.19 -1.05 2.44 2.96 -1.26 -1.04 118.68 124.98 1kzw s LEU 84 Ca -0.06 -0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.65 1kzw s LEU 84 Cb -0.15 -2.99 0.26 0.00 0.50 0.00 0.00 46.19 43.81 1kzw s LEU 84 CO 0.05 -1.00 1.02 -1.61 -1.32 0.00 0.00 176.35 173.49 1kzw s GLU 85 N 3.49 3.99 2.83 1.98 8.01 0.22 -4.94 118.70 134.27 1kzw s GLU 85 Ca 0.31 -3.15 0.00 0.00 0.01 0.00 0.00 54.97 52.15 1kzw s GLU 85 Cb -0.12 -4.44 0.00 0.00 -4.31 0.00 0.00 34.13 25.26 1kzw s GLU 85 CO 0.23 -1.25 0.00 0.41 0.01 0.00 0.00 175.26 174.66 1kzw n GLY 86 N 2.78 1.75 2.60 -1.39 0.00 -1.26 -2.85 105.19 106.81 1kzw n GLY 86 Ca 0.22 0.10 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 1kzw n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kzw n ASN 87 N 6.11 4.36 -3.50 1.61 2.85 -1.26 -4.76 115.26 120.67 1kzw n ASN 87 Ca 0.00 -3.63 -0.15 0.00 -0.11 0.00 0.00 54.58 50.69 1kzw n ASN 87 Cb 0.00 -0.49 -0.12 0.00 1.24 0.00 0.00 39.78 40.41 1kzw n ASN 87 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1kzw s LYS 88 N -3.47 0.21 -0.56 1.20 1.02 -1.13 -4.27 119.74 112.73 1kzw s LYS 88 Ca 0.47 0.40 -0.22 0.00 0.02 0.00 0.00 55.97 56.64 1kzw s LYS 88 Cb 0.37 -0.78 0.06 0.00 -0.52 0.00 0.00 37.83 36.96 1kzw s LYS 88 CO -0.16 -0.56 0.83 -0.51 -0.92 0.00 0.00 175.35 174.03 1kzw s LEU 89 N 2.39 4.51 -0.30 3.17 1.43 -0.67 -0.61 118.68 128.60 1kzw s LEU 89 Ca 0.07 -0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 1kzw s LEU 89 Cb -0.15 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 1kzw s LEU 89 CO -0.12 -1.16 0.43 -0.51 0.23 0.00 0.00 176.35 175.22 1kzw s ILE 90 N 3.49 5.12 -0.67 -0.59 2.07 -0.20 -1.34 121.20 129.07 1kzw s ILE 90 Ca 0.23 0.50 -0.19 0.00 -1.41 0.00 0.00 60.65 59.78 1kzw s ILE 90 Cb -0.16 -3.80 0.11 0.00 0.13 0.00 0.00 42.46 38.74 1kzw s ILE 90 CO 0.14 0.02 0.83 -0.83 -1.91 0.00 0.00 174.94 173.20 1kzw s GLY 91 N 1.66 1.77 -0.65 1.50 0.00 0.51 -1.29 107.32 110.83 1kzw s GLY 91 Ca 0.17 -2.30 -0.20 0.00 0.00 0.00 0.00 44.72 42.39 1kzw s GLY 91 CO 0.11 1.73 0.82 0.54 0.00 0.00 0.00 173.10 176.29 1kzw s LYS 92 N 2.83 3.13 -0.06 2.90 -0.14 -0.34 -1.05 119.74 127.00 1kzw s LYS 92 Ca 0.17 -1.26 0.05 0.00 -1.36 0.00 0.00 55.97 53.58 1kzw s LYS 92 Cb -0.19 -4.31 -0.00 0.00 -1.68 0.00 0.00 37.83 31.64 1kzw s LYS 92 CO 0.04 -1.63 -0.21 -0.06 -0.76 0.00 0.00 175.35 172.73 1kzw s PHE 93 N 3.00 2.07 0.21 3.18 0.08 -0.83 -1.46 117.98 124.24 1kzw s PHE 93 Ca 0.16 -0.65 0.08 0.00 0.12 0.00 0.00 56.93 56.64 1kzw s PHE 93 Cb -0.20 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 1kzw s PHE 93 CO 0.06 -0.22 0.03 0.15 -0.10 0.00 0.00 175.22 175.13 1kzw s LYS 94 N 0.04 2.44 -0.24 0.44 1.02 -0.62 -0.46 119.74 122.37 1kzw s LYS 94 Ca -0.06 -1.20 -0.06 0.00 0.02 0.00 0.00 55.97 54.67 1kzw s LYS 94 Cb -0.13 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 1kzw s LYS 94 CO 0.04 0.42 0.04 0.50 -0.92 0.00 0.00 175.35 175.42 1kzw s ARG 95 N -3.30 3.58 0.11 1.68 3.52 -1.03 -0.42 118.95 123.09 1kzw s ARG 95 Ca 0.29 -0.52 0.16 0.00 -0.13 0.00 0.00 55.73 55.54 1kzw s ARG 95 Cb -0.08 -3.23 0.70 0.00 -1.56 0.00 0.00 34.95 30.78 1kzw s ARG 95 CO 0.20 -0.18 1.50 -2.37 -0.81 0.00 0.00 175.30 173.64 1kzw n THR 96 N 4.86 1.07 -0.09 4.11 5.66 -1.09 -1.18 114.28 127.62 1kzw n THR 96 Ca -0.17 0.31 -0.18 0.00 -3.05 0.00 0.00 64.05 60.96 1kzw n THR 96 Cb 0.51 -1.17 -0.11 0.00 -1.55 0.00 0.00 70.33 68.01 1kzw n THR 96 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1kzw h ASP 97 N 0.00 0.00 0.00 1.09 3.32 -1.95 -3.45 116.42 115.43 1kzw h ASP 97 Ca 0.00 -0.63 -0.14 0.00 0.02 0.00 0.00 57.03 56.28 1kzw h ASP 97 Cb 0.24 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.48 1kzw h ASP 97 CO 0.00 1.28 -0.93 -3.20 -1.72 0.00 0.00 179.24 174.67 1kzw n ASN 98 N -4.51 0.80 0.00 6.45 5.15 -1.24 -5.07 115.26 116.84 1kzw n ASN 98 Ca -0.23 -2.01 0.00 0.00 -0.60 0.00 0.00 54.58 51.74 1kzw n ASN 98 Cb 0.58 -0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 1kzw n ASN 98 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kzw n GLY 99 N 0.39 1.12 3.65 8.20 0.00 -0.33 -4.96 105.19 113.27 1kzw n GLY 99 Ca 0.05 -0.02 -0.54 0.00 0.00 0.00 0.00 46.02 45.51 1kzw n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kzw n ASN 100 N 2.74 2.09 -4.77 1.61 3.02 -1.26 -2.47 115.26 116.23 1kzw n ASN 100 Ca 0.00 1.09 -0.38 0.00 -0.03 0.00 0.00 54.58 55.26 1kzw n ASN 100 Cb 0.00 -1.18 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 1kzw n ASN 100 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1kzw s GLU 101 N 2.08 3.70 -0.32 3.52 1.03 -1.26 -4.20 118.70 123.25 1kzw s GLU 101 Ca 0.91 1.95 -0.09 0.00 0.03 0.00 0.00 54.97 57.76 1kzw s GLU 101 Cb -1.00 -2.47 -0.00 0.00 -0.80 0.00 0.00 34.13 29.87 1kzw s GLU 101 CO 0.56 -0.65 0.15 -1.17 -1.33 0.00 0.00 175.26 172.82 1kzw s LEU 102 N -2.97 4.15 -0.53 1.83 2.96 0.39 -1.85 118.68 122.66 1kzw s LEU 102 Ca 0.63 -0.59 -0.19 0.00 -0.22 0.00 0.00 54.13 53.77 1kzw s LEU 102 Cb -0.33 -1.99 0.07 0.00 0.50 0.00 0.00 46.19 44.44 1kzw s LEU 102 CO 0.40 -0.21 0.64 0.20 -1.32 0.00 0.00 176.35 176.06 1kzw s ASN 103 N 1.60 6.21 -0.49 3.68 0.01 -0.60 -1.96 114.94 123.39 1kzw s ASN 103 Ca 0.04 -1.06 -0.11 0.00 -0.71 0.00 0.00 52.86 51.01 1kzw s ASN 103 Cb -0.17 -2.29 0.12 0.00 0.41 0.00 0.00 41.25 39.32 1kzw s ASN 103 CO 0.06 -0.95 0.39 -0.89 -1.51 0.00 0.00 177.10 174.20 1kzw s THR 104 N 2.62 4.53 -0.54 1.60 2.01 -0.22 -1.55 115.64 124.10 1kzw s THR 104 Ca 0.14 -1.67 -0.21 0.00 0.31 0.00 0.00 61.69 60.27 1kzw s THR 104 Cb -0.21 -3.94 0.06 0.00 0.01 0.00 0.00 72.50 68.42 1kzw s THR 104 CO 0.10 -0.79 0.75 -0.69 -0.69 0.00 0.00 174.62 173.30 1kzw s VAL 105 N 1.44 4.69 -0.34 3.82 1.01 -0.75 -0.36 120.40 129.92 1kzw s VAL 105 Ca 0.05 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 1kzw s VAL 105 Cb -0.27 -4.41 0.01 0.00 0.00 0.00 0.00 36.38 31.71 1kzw s VAL 105 CO 0.01 -0.97 1.00 -0.13 0.00 0.00 0.00 175.10 175.00 1kzw s ARG 106 N 3.11 3.98 -0.01 2.72 0.52 -0.45 -1.16 118.95 127.66 1kzw s ARG 106 Ca 0.19 0.86 -0.02 0.00 -0.52 0.00 0.00 55.73 56.24 1kzw s ARG 106 Cb -0.18 -3.76 -0.00 0.00 0.52 0.00 0.00 34.95 31.53 1kzw s ARG 106 CO 0.13 -0.90 0.05 -1.83 0.02 0.00 0.00 175.30 172.77 1kzw s GLU 107 N 3.53 0.22 -0.16 3.54 -1.05 -0.88 -1.66 118.70 122.25 1kzw s GLU 107 Ca 0.42 -0.21 -0.24 0.00 -0.15 0.00 0.00 54.97 54.79 1kzw s GLU 107 Cb -0.12 0.09 -0.02 0.00 -0.44 0.00 0.00 34.13 33.64 1kzw s GLU 107 CO 0.16 -0.04 0.77 -1.50 0.95 0.00 0.00 175.26 175.60 1kzw s ILE 108 N -0.67 4.94 -1.13 1.83 1.10 -1.26 -1.08 121.20 124.93 1kzw s ILE 108 Ca -0.07 1.51 -0.09 0.00 -0.51 0.00 0.00 60.65 61.49 1kzw s ILE 108 Cb -0.05 -4.08 0.27 0.00 0.15 0.00 0.00 42.46 38.75 1kzw s ILE 108 CO 0.00 0.08 1.19 0.00 -2.11 0.00 0.00 174.94 174.10 1kzw n ILE 109 N 4.55 4.60 0.00 2.00 0.13 0.58 -4.95 119.36 126.28 1kzw n ILE 109 Ca 0.02 -5.35 0.00 0.00 -1.10 0.00 0.00 62.75 56.32 1kzw n ILE 109 Cb 0.49 -2.54 0.00 0.00 -0.84 0.00 0.00 39.64 36.76 1kzw n ILE 109 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1kzw n GLY 110 N 2.72 1.43 0.61 4.50 0.00 -1.26 -3.07 105.19 110.12 1kzw n GLY 110 Ca 0.26 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.52 1kzw n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kzw n ASP 111 N 8.98 1.88 -4.22 1.61 5.68 -1.26 -4.99 116.55 124.23 1kzw n ASP 111 Ca 0.00 -1.64 -0.29 0.00 -0.50 0.00 0.00 54.79 52.36 1kzw n ASP 111 Cb 0.00 -0.02 -0.16 0.00 -1.14 0.00 0.00 41.12 39.80 1kzw n ASP 111 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1kzw s GLU 112 N -1.96 2.20 -0.26 0.11 2.02 -1.17 -4.15 118.70 115.48 1kzw s GLU 112 Ca 0.35 -0.79 -0.20 0.00 0.02 0.00 0.00 54.97 54.36 1kzw s GLU 112 Cb 0.20 -1.90 -0.02 0.00 0.10 0.00 0.00 34.13 32.51 1kzw s GLU 112 CO 0.32 0.34 0.59 -1.17 0.02 0.00 0.00 175.26 175.36 1kzw s LEU 113 N -0.13 4.07 -0.26 1.80 2.96 -0.58 -0.31 118.68 126.23 1kzw s LEU 113 Ca -0.02 0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 54.41 1kzw s LEU 113 Cb -0.12 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 1kzw s LEU 113 CO 0.03 -0.36 0.14 0.54 -1.32 0.00 0.00 176.35 175.38 1kzw s VAL 114 N 2.45 4.89 -0.34 1.68 0.11 -0.24 -0.06 120.40 128.90 1kzw s VAL 114 Ca 0.24 0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 59.11 1kzw s VAL 114 Cb -0.15 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 1kzw s VAL 114 CO 0.09 0.29 0.66 -1.10 -3.33 0.00 0.00 175.10 171.72 1kzw s GLN 115 N 1.65 3.76 -0.57 1.54 -0.21 -0.75 -2.07 119.66 123.02 1kzw s GLN 115 Ca 0.07 0.18 -0.18 0.00 0.02 0.00 0.00 55.36 55.45 1kzw s GLN 115 Cb -0.15 -3.78 0.11 0.00 1.00 0.00 0.00 33.01 30.18 1kzw s GLN 115 CO 0.08 -0.71 0.62 0.99 -2.12 0.00 0.00 175.29 174.15 1kzw s THR 116 N 2.75 4.98 -0.40 -0.19 2.01 -0.31 -1.59 115.64 122.89 1kzw s THR 116 Ca 0.26 -1.18 -0.23 0.00 0.31 0.00 0.00 61.69 60.85 1kzw s THR 116 Cb -0.14 -4.42 0.02 0.00 0.01 0.00 0.00 72.50 67.96 1kzw s THR 116 CO 0.14 -1.01 0.78 -0.31 -0.69 0.00 0.00 174.62 173.53 1kzw s TYR 117 N 2.25 3.06 -0.40 4.92 1.51 -0.17 -1.80 117.35 126.71 1kzw s TYR 117 Ca 0.08 0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 56.48 1kzw s TYR 117 Cb -0.26 -3.51 0.11 0.00 -0.11 0.00 0.00 41.96 38.18 1kzw s TYR 117 CO 0.05 -0.85 0.19 0.08 -1.11 0.00 0.00 175.55 173.92 1kzw s VAL 118 N 3.17 3.24 -0.27 0.71 1.01 -0.60 -0.64 120.40 127.03 1kzw s VAL 118 Ca 0.30 -2.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.06 1kzw s VAL 118 Cb -0.13 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1kzw s VAL 118 CO 0.20 -0.67 0.50 -0.47 0.00 0.00 0.00 175.10 174.65 1kzw s TYR 119 N 1.14 3.25 0.00 5.22 6.14 -0.96 -1.56 117.35 130.58 1kzw s TYR 119 Ca 0.08 0.55 0.00 0.00 0.64 0.00 0.00 57.07 58.34 1kzw s TYR 119 Cb -0.23 -2.73 0.00 0.00 0.42 0.00 0.00 41.96 39.42 1kzw s TYR 119 CO -0.04 -0.31 0.00 -1.91 0.64 0.00 0.00 175.55 173.93 1kzw n GLU 120 N 5.55 0.00 -0.48 4.97 2.13 -0.77 -0.75 120.64 131.29 1kzw n GLU 120 Ca -0.05 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.80 1kzw n GLU 120 Cb 0.50 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.24 1kzw n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kzw n GLY 121 N 0.00 1.42 3.57 8.31 0.00 -1.26 -4.89 105.19 112.34 1kzw n GLY 121 Ca 0.00 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1kzw n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kzw s VAL 122 N -0.59 4.98 -0.15 1.61 0.11 0.07 -5.04 120.40 121.39 1kzw s VAL 122 Ca 0.08 0.54 -0.21 0.00 -2.93 0.00 0.00 61.98 59.47 1kzw s VAL 122 Cb 0.08 -3.98 -0.03 0.00 -1.53 0.00 0.00 36.38 30.92 1kzw s VAL 122 CO -0.01 -0.20 0.61 -0.70 -3.33 0.00 0.00 175.10 171.48 1kzw s GLU 123 N 2.50 4.29 -0.26 1.54 2.12 -1.26 -2.26 118.70 125.37 1kzw s GLU 123 Ca 0.21 0.63 0.00 0.00 0.36 0.00 0.00 54.97 56.18 1kzw s GLU 123 Cb -0.15 -3.52 0.08 0.00 0.26 0.00 0.00 34.13 30.79 1kzw s GLU 123 CO 0.13 -0.09 0.01 0.00 -0.54 0.00 0.00 175.26 174.77 1kzw s ALA 124 N 1.40 1.84 -0.11 6.30 0.00 0.19 -4.68 121.76 126.70 1kzw s ALA 124 Ca 0.30 -1.50 -0.18 0.00 0.00 0.00 0.00 51.96 50.58 1kzw s ALA 124 Cb -0.16 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1kzw s ALA 124 CO 0.12 -1.38 0.48 0.15 0.00 0.00 0.00 175.76 175.13 1kzw s LYS 125 N 1.45 4.33 -0.14 0.00 1.02 -1.26 -1.00 119.74 124.15 1kzw s LYS 125 Ca 0.01 0.46 0.01 0.00 0.02 0.00 0.00 55.97 56.47 1kzw s LYS 125 Cb -0.18 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1kzw s LYS 125 CO -0.12 0.17 -0.16 -0.98 -0.92 0.00 0.00 175.35 173.34 1kzw s ARG 126 N 0.57 2.44 -0.21 1.68 1.70 -0.62 -0.10 118.95 124.41 1kzw s ARG 126 Ca 0.26 -0.63 -0.16 0.00 -0.47 0.00 0.00 55.73 54.74 1kzw s ARG 126 Cb -0.15 -2.12 -0.04 0.00 -0.57 0.00 0.00 34.95 32.07 1kzw s ARG 126 CO 0.11 -0.14 0.41 0.42 -1.08 0.00 0.00 175.30 175.01 1kzw s ILE 127 N 1.21 5.19 -0.15 4.99 1.01 -0.41 -1.80 121.20 131.23 1kzw s ILE 127 Ca -0.01 0.72 -0.06 0.00 0.00 0.00 0.00 60.65 61.30 1kzw s ILE 127 Cb -0.14 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1kzw s ILE 127 CO -0.07 0.23 0.05 -0.36 0.00 0.00 0.00 174.94 174.79 1kzw s PHE 128 N 1.43 3.25 0.22 3.97 0.40 0.92 -0.82 117.98 127.36 1kzw s PHE 128 Ca 0.19 0.11 -0.13 0.00 -0.60 0.00 0.00 56.93 56.50 1kzw s PHE 128 Cb -0.15 -1.99 -0.08 0.00 0.51 0.00 0.00 43.02 41.32 1kzw s PHE 128 CO 0.08 0.27 0.61 0.15 0.70 0.00 0.00 175.22 177.03 1kzw s LYS 129 N -0.06 3.95 -0.21 0.44 1.02 -0.00 -1.52 119.74 123.36 1kzw s LYS 129 Ca 0.06 0.50 -0.29 0.00 0.02 0.00 0.00 55.97 56.25 1kzw s LYS 129 Cb -0.12 -2.72 -0.01 0.00 -0.52 0.00 0.00 37.83 34.46 1kzw s LYS 129 CO 0.01 0.34 1.29 0.21 -0.92 0.00 0.00 175.35 176.28 1kzw s LYS 130 N -2.48 4.12 0.00 1.68 2.20 -1.26 -1.18 119.74 122.82 1kzw s LYS 130 Ca 0.45 1.54 0.00 0.00 -0.36 0.00 0.00 55.97 57.60 1kzw s LYS 130 Cb -0.13 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 1kzw s LYS 130 CO 0.20 -0.85 0.00 -3.47 -0.36 0.00 0.00 175.35 170.87