#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 -2.43 -2.94 0.00 3.01 -1.26 -4.93 117.46 108.91 1kzw n PHE 2 Ca 0.00 1.00 -0.13 0.00 1.01 0.00 0.00 57.45 59.33 1kzw n PHE 2 Cb 0.00 -3.23 -0.01 0.00 -0.01 0.00 0.00 39.48 36.23 1kzw n PHE 2 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1kzw n ASP 3 N -0.18 -2.02 -2.64 4.37 5.68 -1.26 -4.34 116.55 116.16 1kzw n ASP 3 Ca 0.06 -2.94 -0.09 0.00 -0.50 0.00 0.00 54.79 51.33 1kzw n ASP 3 Cb 0.24 0.92 0.02 0.00 -1.14 0.00 0.00 41.12 41.16 1kzw n ASP 3 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1kzw n SER 4 N 2.10 -2.03 -4.63 -1.12 3.41 -0.83 -4.95 113.62 105.56 1kzw n SER 4 Ca 0.17 -2.48 -0.41 0.00 -0.26 0.00 0.00 58.87 55.89 1kzw n SER 4 Cb 0.57 3.41 -0.05 0.00 -0.26 0.00 0.00 64.21 67.88 1kzw n SER 4 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1kzw s THR 5 N -2.23 4.89 -0.37 6.66 2.01 -1.26 -1.33 115.64 124.00 1kzw s THR 5 Ca 0.15 1.36 0.04 0.00 0.31 0.00 0.00 61.69 63.55 1kzw s THR 5 Cb -0.04 -4.05 0.11 0.00 0.01 0.00 0.00 72.50 68.52 1kzw s THR 5 CO 0.11 -0.06 0.09 0.26 -0.69 0.00 0.00 174.62 174.34 1kzw s TRP 6 N 2.73 3.55 0.06 4.92 0.52 -0.47 -0.25 118.94 129.99 1kzw s TRP 6 Ca 0.31 -2.97 -0.20 0.00 0.02 0.00 0.00 56.10 53.26 1kzw s TRP 6 Cb -0.15 -2.84 -0.06 0.00 -1.15 0.00 0.00 33.47 29.27 1kzw s TRP 6 CO 0.08 -0.91 0.60 0.21 0.02 0.00 0.00 176.95 176.95 1kzw s LYS 7 N 0.73 4.28 0.12 4.98 2.47 -0.66 -0.94 119.74 130.72 1kzw s LYS 7 Ca 0.12 0.78 -0.31 0.00 -1.56 0.00 0.00 55.97 55.00 1kzw s LYS 7 Cb -0.20 -3.27 -0.11 0.00 -1.46 0.00 0.00 37.83 32.79 1kzw s LYS 7 CO -0.07 0.54 1.84 1.55 0.16 0.00 0.00 175.35 179.37 1kzw n VAL 8 N 2.04 0.37 -0.11 4.02 3.14 -0.55 -0.82 118.33 126.42 1kzw n VAL 8 Ca -0.09 -0.07 -0.21 0.00 -2.96 0.00 0.00 64.34 61.02 1kzw n VAL 8 Cb 0.51 -2.11 -0.08 0.00 -1.06 0.00 0.00 33.84 31.10 1kzw n VAL 8 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1kzw n ASP 9 N 5.64 1.90 -3.64 6.55 2.03 0.80 -4.84 116.55 125.00 1kzw n ASP 9 Ca 0.18 0.40 -0.06 0.00 0.52 0.00 0.00 54.79 55.83 1kzw n ASP 9 Cb 0.37 -0.86 -0.07 0.00 -0.72 0.00 0.00 41.12 39.84 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 -2.49 0.68 -0.54 -0.67 1.70 -1.10 -5.01 118.95 111.52 1kzw s ARG 10 Ca -0.31 1.24 -0.17 0.00 -0.47 0.00 0.00 55.73 56.02 1kzw s ARG 10 Cb 0.09 0.22 0.10 0.00 -0.57 0.00 0.00 34.95 34.79 1kzw s ARG 10 CO 0.48 -0.16 0.58 -1.54 -1.08 0.00 0.00 175.30 173.58 1kzw s SER 11 N 1.79 6.19 -0.39 -2.89 1.04 -1.26 -1.10 113.70 117.08 1kzw s SER 11 Ca -0.09 -1.43 -0.16 0.00 0.48 0.00 0.00 55.95 54.74 1kzw s SER 11 Cb -0.06 -2.25 0.01 0.00 0.10 0.00 0.00 66.02 63.81 1kzw s SER 11 CO -0.20 -0.92 0.39 -1.61 0.98 0.00 0.00 173.24 171.88 1kzw s GLU 12 N 2.18 3.29 -1.84 4.02 0.41 -0.24 -4.10 118.70 122.43 1kzw s GLU 12 Ca 0.08 -0.63 0.00 0.00 -0.41 0.00 0.00 54.97 54.02 1kzw s GLU 12 Cb -0.25 -3.90 0.00 0.00 -1.78 0.00 0.00 34.13 28.20 1kzw s GLU 12 CO 0.06 -0.70 0.00 -1.71 -0.49 0.00 0.00 175.26 172.42 1kzw n ASN 13 N 5.47 -5.36 0.08 -0.19 5.15 -1.26 -0.93 115.26 118.23 1kzw n ASN 13 Ca -0.08 0.25 -0.08 0.00 -0.60 0.00 0.00 54.58 54.07 1kzw n ASN 13 Cb 0.48 -4.47 0.03 0.00 -0.53 0.00 0.00 39.78 35.29 1kzw n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1kzw h TYR 14 N 0.00 0.32 -0.87 1.20 3.20 -1.91 -3.01 116.97 115.89 1kzw h TYR 14 Ca -0.41 -0.16 0.14 0.00 3.14 0.00 0.00 58.73 61.43 1kzw h TYR 14 Cb 1.28 -0.04 -0.09 0.00 1.54 0.00 0.00 36.73 39.41 1kzw h TYR 14 CO 0.52 0.93 0.48 0.22 -1.64 0.00 0.00 178.16 178.67 1kzw h ASP 15 N 0.14 0.63 -0.18 -2.11 1.82 -1.90 -2.07 116.42 112.75 1kzw h ASP 15 Ca -0.03 0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1kzw h ASP 15 Cb 1.39 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.36 1kzw h ASP 15 CO 0.12 0.29 0.05 0.50 -1.61 0.00 0.00 179.24 178.60 1kzw h LYS 16 N 0.71 0.28 -0.15 0.28 3.64 -1.95 0.15 116.57 119.53 1kzw h LYS 16 Ca 0.46 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.83 1kzw h LYS 16 Cb 0.59 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 1kzw h LYS 16 CO -0.33 0.40 -0.27 0.35 -2.27 0.00 0.00 179.45 177.32 1kzw h PHE 17 N 0.10 -0.74 -0.35 1.91 3.57 -1.49 -0.90 116.94 119.04 1kzw h PHE 17 Ca 0.06 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1kzw h PHE 17 Cb 0.24 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1kzw h PHE 17 CO 0.00 -0.35 0.04 0.52 -2.23 0.00 0.00 178.31 176.29 1kzw h MET 18 N -0.33 0.53 -0.20 1.11 2.86 -1.41 -1.99 114.93 115.50 1kzw h MET 18 Ca 0.10 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1kzw h MET 18 Cb 0.49 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1kzw h MET 18 CO -0.34 0.53 0.09 1.49 1.06 0.00 0.00 176.91 179.73 1kzw h GLU 19 N 0.52 0.18 -0.73 1.72 4.22 -0.85 -1.71 114.58 117.94 1kzw h GLU 19 Ca 0.12 -0.01 0.13 0.00 0.08 0.00 0.00 59.36 59.67 1kzw h GLU 19 Cb 0.27 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1kzw h GLU 19 CO 0.00 0.12 0.48 -0.22 -2.18 0.00 0.00 179.01 177.22 1kzw h LYS 20 N 0.19 0.47 -0.35 1.92 1.63 -1.06 -2.76 116.57 116.60 1kzw h LYS 20 Ca 0.08 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.73 1kzw h LYS 20 Cb 0.03 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 1kzw h LYS 20 CO -0.07 0.31 -0.28 0.52 -3.45 0.00 0.00 179.45 176.48 1kzw h MET 21 N 0.48 0.74 0.00 1.90 2.86 -1.17 -3.49 114.93 116.25 1kzw h MET 21 Ca 0.35 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1kzw h MET 21 Cb 0.69 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1kzw h MET 21 CO -0.12 0.93 0.00 0.41 1.06 0.00 0.00 176.91 179.19 1kzw n GLY 22 N -0.16 0.72 3.35 8.32 0.00 -0.66 -5.11 105.19 111.65 1kzw n GLY 22 Ca -0.01 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 1kzw n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kzw s VAL 23 N -1.20 1.86 0.77 1.61 0.11 -1.15 -5.06 120.40 117.35 1kzw s VAL 23 Ca 0.00 -2.00 -0.12 0.00 -2.93 0.00 0.00 61.98 56.93 1kzw s VAL 23 Cb 0.00 -1.92 0.06 0.00 -1.53 0.00 0.00 36.38 33.00 1kzw s VAL 23 CO 0.00 -0.36 1.13 0.54 -3.33 0.00 0.00 175.10 173.08 1kzw s ASN 24 N -2.83 4.19 0.29 3.54 2.20 -1.26 -4.69 114.94 116.37 1kzw s ASN 24 Ca 0.18 2.05 -0.02 0.00 -0.94 0.00 0.00 52.86 54.13 1kzw s ASN 24 Cb -0.05 -2.55 0.43 0.00 -2.00 0.00 0.00 41.25 37.08 1kzw s ASN 24 CO 0.07 -2.25 1.93 -0.29 -2.94 0.00 0.00 177.10 173.62 1kzw h ILE 25 N -0.90 1.15 0.43 0.54 2.10 -2.01 -1.07 117.51 117.76 1kzw h ILE 25 Ca -0.45 -0.39 -0.02 0.00 1.08 0.00 0.00 64.86 65.08 1kzw h ILE 25 Cb 1.26 -0.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.90 1kzw h ILE 25 CO 0.49 0.21 -0.21 0.58 -1.08 0.00 0.00 178.15 178.14 1kzw h VAL 26 N 1.15 0.54 -0.23 2.19 2.07 -2.00 -2.48 116.25 117.48 1kzw h VAL 26 Ca 0.37 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1kzw h VAL 26 Cb 0.02 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1kzw h VAL 26 CO -0.11 0.06 0.17 0.11 0.02 0.00 0.00 177.57 177.82 1kzw h LYS 27 N -0.79 0.01 0.58 1.57 1.79 -1.96 -2.19 116.57 115.59 1kzw h LYS 27 Ca -0.06 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1kzw h LYS 27 Cb 0.54 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1kzw h LYS 27 CO 0.10 0.01 -0.28 0.00 -1.08 0.00 0.00 179.45 178.20 1kzw h ARG 28 N 0.01 -0.75 -0.73 3.15 3.08 -1.11 0.12 114.38 118.15 1kzw h ARG 28 Ca 0.11 0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1kzw h ARG 28 Cb 0.42 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 1kzw h ARG 28 CO -0.00 -0.50 0.42 1.57 -1.07 0.00 0.00 179.97 180.39 1kzw h LYS 29 N -0.79 1.00 -0.14 0.04 2.10 -1.40 -1.64 116.57 115.74 1kzw h LYS 29 Ca -0.08 -0.10 -0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1kzw h LYS 29 Cb 0.60 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 1kzw h LYS 29 CO 0.13 0.72 0.08 -0.07 -2.00 0.00 0.00 179.45 178.31 1kzw h LEU 30 N 1.02 0.17 -0.93 7.07 3.38 -1.45 -2.72 115.31 121.85 1kzw h LEU 30 Ca 0.26 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.25 1kzw h LEU 30 Cb -0.01 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1kzw h LEU 30 CO -0.05 0.18 0.58 0.00 0.09 0.00 0.00 178.44 179.24 1kzw h ALA 31 N 1.00 1.31 -0.40 1.53 0.00 -0.61 -1.02 119.26 121.06 1kzw h ALA 31 Ca 0.05 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1kzw h ALA 31 Cb 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1kzw h ALA 31 CO -0.01 0.29 0.08 0.00 0.00 0.00 0.00 179.25 179.61 1kzw h ALA 32 N 1.45 0.44 -0.63 0.00 0.00 -1.34 -3.35 119.26 115.82 1kzw h ALA 32 Ca 0.42 0.08 -0.44 0.00 0.00 0.00 0.00 54.91 54.97 1kzw h ALA 32 Cb 0.26 0.10 -0.29 0.00 0.00 0.00 0.00 17.79 17.86 1kzw h ALA 32 CO -0.20 -0.32 -0.34 0.72 0.00 0.00 0.00 179.25 179.11 1kzw n HIS 33 N -5.10 2.21 -0.68 0.00 8.25 -1.02 -4.69 115.22 114.18 1kzw n HIS 33 Ca 0.03 -2.16 -0.05 0.00 -0.26 0.00 0.00 57.72 55.28 1kzw n HIS 33 Cb 0.18 -0.56 -0.06 0.00 1.12 0.00 0.00 29.99 30.67 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 -0.88 5.22 -3.53 0.41 5.75 -0.41 -4.84 116.55 118.28 1kzw n ASP 34 Ca 0.43 -2.42 -0.26 0.00 -0.01 0.00 0.00 54.79 52.53 1kzw n ASP 34 Cb 0.91 -1.22 -0.05 0.00 -1.03 0.00 0.00 41.12 39.73 1kzw n ASP 34 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1kzw n ASN 35 N 1.89 -1.34 -4.63 -1.12 0.23 -1.26 -1.12 115.26 107.91 1kzw n ASN 35 Ca 0.16 -0.63 -0.43 0.00 -0.53 0.00 0.00 54.58 53.15 1kzw n ASN 35 Cb 0.65 -1.20 -0.02 0.00 -2.08 0.00 0.00 39.78 37.13 1kzw n ASN 35 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1kzw s LEU 36 N -5.66 3.89 -0.36 -4.53 0.20 -1.26 -4.66 118.68 106.31 1kzw s LEU 36 Ca 0.51 1.25 -0.09 0.00 0.69 0.00 0.00 54.13 56.48 1kzw s LEU 36 Cb -0.29 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 41.95 1kzw s LEU 36 CO 0.62 -1.07 0.16 -0.75 -0.29 0.00 0.00 176.35 175.02 1kzw s LYS 37 N 4.16 2.80 -0.76 1.98 2.20 -0.24 -1.47 119.74 128.41 1kzw s LYS 37 Ca 0.57 -1.08 -0.22 0.00 -0.36 0.00 0.00 55.97 54.87 1kzw s LYS 37 Cb -0.17 -3.62 0.08 0.00 -1.51 0.00 0.00 37.83 32.61 1kzw s LYS 37 CO 0.23 -0.66 1.08 -0.51 -0.36 0.00 0.00 175.35 175.13 1kzw s LEU 38 N 1.50 4.29 -0.89 5.43 1.43 -0.11 -1.27 118.68 129.06 1kzw s LEU 38 Ca 0.01 -1.18 -0.21 0.00 -1.03 0.00 0.00 54.13 51.72 1kzw s LEU 38 Cb -0.19 -2.45 0.09 0.00 0.03 0.00 0.00 46.19 43.68 1kzw s LEU 38 CO 0.05 -1.42 1.18 -0.89 0.23 0.00 0.00 176.35 175.50 1kzw s THR 39 N 4.07 4.40 -0.23 5.49 2.01 -1.17 -1.36 115.64 128.85 1kzw s THR 39 Ca 0.28 -1.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.02 1kzw s THR 39 Cb -0.12 -4.84 -0.01 0.00 0.01 0.00 0.00 72.50 67.54 1kzw s THR 39 CO 0.05 -1.62 0.71 -0.63 -0.69 0.00 0.00 174.62 172.44 1kzw s ILE 40 N 3.67 4.93 -0.26 1.82 1.01 -0.44 -1.78 121.20 130.14 1kzw s ILE 40 Ca 0.34 1.33 0.02 0.00 0.00 0.00 0.00 60.65 62.34 1kzw s ILE 40 Cb -0.06 -4.01 0.07 0.00 0.01 0.00 0.00 42.46 38.46 1kzw s ILE 40 CO -0.04 0.01 -0.06 0.42 0.00 0.00 0.00 174.94 175.27 1kzw s THR 41 N 2.49 1.85 -0.04 2.92 -4.23 -0.59 -1.97 115.64 116.08 1kzw s THR 41 Ca 0.30 -1.55 -0.25 0.00 -1.18 0.00 0.00 61.69 59.02 1kzw s THR 41 Cb -0.16 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 1kzw s THR 41 CO 0.09 -0.17 0.77 -1.58 -0.54 0.00 0.00 174.62 173.19 1kzw s GLN 42 N 1.22 4.47 -0.44 3.99 -0.44 -1.26 -0.82 119.66 126.39 1kzw s GLN 42 Ca -0.04 1.02 0.08 0.00 -2.50 0.00 0.00 55.36 53.92 1kzw s GLN 42 Cb -0.19 -3.44 0.26 0.00 -1.64 0.00 0.00 33.01 28.00 1kzw s GLN 42 CO -0.07 0.07 0.60 -1.91 0.50 0.00 0.00 175.29 174.48 1kzw n GLU 43 N 3.69 1.14 -2.81 1.67 2.13 0.40 -5.00 120.64 121.85 1kzw n GLU 43 Ca 0.00 -3.54 -0.05 0.00 0.66 0.00 0.00 57.16 54.23 1kzw n GLU 43 Cb 0.51 -1.48 0.01 0.00 0.27 0.00 0.00 31.44 30.74 1kzw n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kzw n GLY 44 N 1.13 -1.23 4.35 8.31 0.00 -1.26 -3.60 105.19 112.89 1kzw n GLY 44 Ca 0.23 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.14 1kzw n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kzw n ASN 45 N -0.83 0.00 -4.74 1.61 4.13 -1.26 -4.97 115.26 109.19 1kzw n ASN 45 Ca 0.07 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.92 1kzw n ASN 45 Cb 0.45 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.67 1kzw n ASN 45 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1kzw s LYS 46 N 0.00 4.32 -0.21 3.52 1.02 -1.24 -2.66 119.74 124.49 1kzw s LYS 46 Ca 0.00 2.20 0.02 0.00 0.02 0.00 0.00 55.97 58.21 1kzw s LYS 46 Cb 0.00 -3.14 0.04 0.00 -0.52 0.00 0.00 37.83 34.21 1kzw s LYS 46 CO 0.00 -0.34 -0.14 -0.06 -0.92 0.00 0.00 175.35 173.89 1kzw s PHE 47 N -0.03 2.80 -0.54 3.18 0.40 0.30 -0.45 117.98 123.65 1kzw s PHE 47 Ca 0.58 -1.84 -0.19 0.00 -0.60 0.00 0.00 56.93 54.88 1kzw s PHE 47 Cb -0.40 -1.82 0.08 0.00 0.51 0.00 0.00 43.02 41.39 1kzw s PHE 47 CO 0.42 -0.81 0.63 0.99 0.70 0.00 0.00 175.22 177.16 1kzw s THR 48 N 1.27 4.89 -0.32 0.64 2.01 0.00 -1.51 115.64 122.62 1kzw s THR 48 Ca -0.01 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 1kzw s THR 48 Cb -0.16 -4.36 0.04 0.00 0.01 0.00 0.00 72.50 68.03 1kzw s THR 48 CO -0.09 -0.91 0.07 -0.69 -0.69 0.00 0.00 174.62 172.31 1kzw s VAL 49 N 2.56 3.58 -0.96 3.82 1.01 -0.24 -1.53 120.40 128.64 1kzw s VAL 49 Ca 0.13 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.78 1kzw s VAL 49 Cb -0.22 -3.00 0.10 0.00 0.00 0.00 0.00 36.38 33.27 1kzw s VAL 49 CO 0.09 -0.11 1.24 -0.54 0.00 0.00 0.00 175.10 175.78 1kzw s LYS 50 N 1.38 3.59 -0.78 2.72 1.02 -0.73 -0.56 119.74 126.37 1kzw s LYS 50 Ca -0.02 -1.52 -0.26 0.00 0.02 0.00 0.00 55.97 54.20 1kzw s LYS 50 Cb -0.19 -5.06 -0.01 0.00 -0.52 0.00 0.00 37.83 32.05 1kzw s LYS 50 CO 0.02 -1.93 1.72 -1.21 -0.92 0.00 0.00 175.35 173.03 1kzw s GLU 51 N 3.52 2.85 -0.52 1.68 2.02 0.12 -3.02 118.70 125.35 1kzw s GLU 51 Ca 0.37 -0.06 -0.06 0.00 0.02 0.00 0.00 54.97 55.24 1kzw s GLU 51 Cb -0.03 -4.69 0.13 0.00 0.10 0.00 0.00 34.13 29.64 1kzw s GLU 51 CO -0.09 -2.74 0.36 -1.12 0.02 0.00 0.00 175.26 171.69 1kzw s SER 52 N 6.83 5.56 0.24 -0.19 0.01 -0.40 -2.03 113.70 123.72 1kzw s SER 52 Ca 0.59 -2.22 0.06 0.00 1.31 0.00 0.00 55.95 55.69 1kzw s SER 52 Cb -0.08 -1.94 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 1kzw s SER 52 CO 0.09 -0.57 -0.07 -0.94 0.41 0.00 0.00 173.24 172.15 1kzw s SER 53 N 1.96 2.40 0.62 2.44 1.04 -0.65 -1.08 113.70 120.43 1kzw s SER 53 Ca 0.10 -1.14 0.36 0.00 0.48 0.00 0.00 55.95 55.75 1kzw s SER 53 Cb -0.23 -0.10 2.05 0.00 0.10 0.00 0.00 66.02 67.84 1kzw s SER 53 CO -0.03 -0.34 2.30 0.00 0.98 0.00 0.00 173.24 176.15 1kzw h ALA 54 N 2.45 1.32 0.05 5.32 0.00 -1.41 -3.04 119.26 123.94 1kzw h ALA 54 Ca -0.39 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1kzw h ALA 54 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1kzw h ALA 54 CO 0.65 0.00 -0.02 0.74 0.00 0.00 0.00 179.25 180.62 1kzw h PHE 55 N 0.00 -0.06 -2.54 0.00 0.04 -1.91 -3.50 116.94 108.97 1kzw h PHE 55 Ca -0.00 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1kzw h PHE 55 Cb 0.01 0.02 -0.18 0.00 2.20 0.00 0.00 35.95 38.00 1kzw h PHE 55 CO 0.00 0.50 0.02 -0.98 -0.60 0.00 0.00 178.31 177.25 1kzw s ARG 56 N -2.45 0.95 -0.35 1.51 1.70 -1.15 -5.07 118.95 114.09 1kzw s ARG 56 Ca -0.12 -0.03 -0.07 0.00 -0.47 0.00 0.00 55.73 55.04 1kzw s ARG 56 Cb -0.01 0.44 0.05 0.00 -0.57 0.00 0.00 34.95 34.86 1kzw s ARG 56 CO 0.45 -0.31 0.13 0.54 -1.08 0.00 0.00 175.30 175.03 1kzw s ASN 57 N -1.51 5.36 0.02 -2.89 2.20 -1.26 -1.64 114.94 115.23 1kzw s ASN 57 Ca -0.10 -1.24 0.02 0.00 -0.94 0.00 0.00 52.86 50.61 1kzw s ASN 57 Cb -0.02 -1.88 -0.01 0.00 -2.00 0.00 0.00 41.25 37.34 1kzw s ASN 57 CO 0.04 -0.37 -0.07 0.27 -2.94 0.00 0.00 177.10 174.04 1kzw s ILE 58 N 1.39 0.50 -0.34 0.54 -5.25 -0.86 -4.99 121.20 112.19 1kzw s ILE 58 Ca -0.01 -0.68 -0.15 0.00 -0.99 0.00 0.00 60.65 58.82 1kzw s ILE 58 Cb -0.20 -0.50 -0.01 0.00 2.95 0.00 0.00 42.46 44.70 1kzw s ILE 58 CO 0.02 -0.14 0.35 -0.70 -1.79 0.00 0.00 174.94 172.69 1kzw s GLU 59 N -0.89 3.57 -0.51 0.37 2.12 -1.26 -0.70 118.70 121.40 1kzw s GLU 59 Ca -0.04 -0.42 -0.16 0.00 0.36 0.00 0.00 54.97 54.71 1kzw s GLU 59 Cb -0.06 -3.80 0.09 0.00 0.26 0.00 0.00 34.13 30.62 1kzw s GLU 59 CO 0.00 -0.51 0.48 0.08 -0.54 0.00 0.00 175.26 174.77 1kzw s VAL 60 N 2.00 5.15 -0.60 3.70 1.01 0.27 -4.92 120.40 127.02 1kzw s VAL 60 Ca 0.11 -1.12 -0.21 0.00 0.00 0.00 0.00 61.98 60.77 1kzw s VAL 60 Cb -0.17 -4.24 0.08 0.00 0.00 0.00 0.00 36.38 32.05 1kzw s VAL 60 CO 0.12 -0.74 0.81 -0.69 0.00 0.00 0.00 175.10 174.60 1kzw s VAL 61 N 1.84 4.60 -0.05 2.92 1.01 -1.26 -1.07 120.40 128.39 1kzw s VAL 61 Ca 0.06 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.55 1kzw s VAL 61 Cb -0.25 -4.54 -0.01 0.00 0.00 0.00 0.00 36.38 31.58 1kzw s VAL 61 CO 0.06 -1.20 -0.25 0.72 0.00 0.00 0.00 175.10 174.44 1kzw s PHE 62 N 3.32 2.44 0.08 5.22 -0.12 -0.57 -4.97 117.98 123.38 1kzw s PHE 62 Ca 0.18 -0.65 -0.12 0.00 -0.05 0.00 0.00 56.93 56.29 1kzw s PHE 62 Cb -0.19 -1.59 -0.06 0.00 -0.63 0.00 0.00 43.02 40.55 1kzw s PHE 62 CO 0.10 -0.17 0.45 -1.21 -0.05 0.00 0.00 175.22 174.34 1kzw s GLU 63 N -0.26 3.86 -0.09 1.99 2.02 -1.26 -0.54 118.70 124.42 1kzw s GLU 63 Ca -0.01 0.32 -0.29 0.00 0.02 0.00 0.00 54.97 55.01 1kzw s GLU 63 Cb -0.13 -3.02 -0.07 0.00 0.10 0.00 0.00 34.13 31.01 1kzw s GLU 63 CO 0.03 0.56 2.04 -0.51 0.02 0.00 0.00 175.26 177.40 1kzw s LEU 64 N -1.75 3.99 0.00 1.80 1.43 -1.09 -2.31 118.68 120.75 1kzw s LEU 64 Ca 0.33 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 1kzw s LEU 64 Cb -0.15 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1kzw s LEU 64 CO 0.18 -1.44 0.00 0.61 0.23 0.00 0.00 176.35 175.92 1kzw n GLY 65 N 5.05 2.47 3.58 -3.19 0.00 -1.20 -5.04 105.19 106.85 1kzw n GLY 65 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1kzw n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kzw s VAL 66 N -2.24 4.54 -0.12 1.61 1.01 -0.98 -4.97 120.40 119.26 1kzw s VAL 66 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 62.54 1kzw s VAL 66 Cb 0.00 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 1kzw s VAL 66 CO 0.00 -0.71 1.07 0.28 0.00 0.00 0.00 175.10 175.74 1kzw s THR 67 N 3.59 4.63 0.17 3.92 -1.32 -1.26 -4.73 115.64 120.63 1kzw s THR 67 Ca 0.36 1.92 0.02 0.00 -1.21 0.00 0.00 61.69 62.78 1kzw s THR 67 Cb -0.11 -4.23 -0.05 0.00 -1.51 0.00 0.00 72.50 66.60 1kzw s THR 67 CO 0.23 -0.03 -0.01 0.72 -2.21 0.00 0.00 174.62 173.32 1kzw s PHE 68 N 2.30 1.21 -0.47 9.09 -0.71 -1.08 -4.91 117.98 123.41 1kzw s PHE 68 Ca 0.50 -0.98 -0.25 0.00 -1.04 0.00 0.00 56.93 55.15 1kzw s PHE 68 Cb -0.19 -0.69 0.03 0.00 -1.21 0.00 0.00 43.02 40.96 1kzw s PHE 68 CO 0.17 -0.17 0.92 -0.80 -1.34 0.00 0.00 175.22 174.00 1kzw s ASN 69 N -3.17 6.47 0.47 1.98 -0.87 -1.26 -2.53 114.94 116.03 1kzw s ASN 69 Ca 0.23 0.04 0.01 0.00 -1.57 0.00 0.00 52.86 51.56 1kzw s ASN 69 Cb 0.06 -2.45 0.01 0.00 -0.02 0.00 0.00 41.25 38.85 1kzw s ASN 69 CO 0.03 -1.07 0.69 -0.47 -2.57 0.00 0.00 177.10 173.71 1kzw s TYR 70 N 3.77 3.12 0.04 2.20 5.04 0.49 -4.85 117.35 127.16 1kzw s TYR 70 Ca 0.36 0.15 -0.00 0.00 -2.44 0.00 0.00 57.07 55.13 1kzw s TYR 70 Cb -0.10 -2.42 -0.03 0.00 0.35 0.00 0.00 41.96 39.75 1kzw s TYR 70 CO 0.25 -0.48 -0.04 0.54 -1.34 0.00 0.00 175.55 174.48 1kzw s ASN 71 N -4.27 0.50 -0.44 4.32 4.22 -1.26 -0.92 114.94 117.09 1kzw s ASN 71 Ca 0.51 -0.80 -0.05 0.00 -2.14 0.00 0.00 52.86 50.37 1kzw s ASN 71 Cb -0.10 0.14 -0.05 0.00 1.28 0.00 0.00 41.25 42.52 1kzw s ASN 71 CO 0.38 -0.46 3.04 0.18 -2.04 0.00 0.00 177.10 178.20 1kzw n LEU 72 N 0.69 6.31 0.00 3.54 4.77 -1.26 -4.88 117.00 126.17 1kzw n LEU 72 Ca -0.18 -3.86 0.00 0.00 -0.03 0.00 0.00 56.01 51.95 1kzw n LEU 72 Cb 0.59 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 1kzw n LEU 72 CO 0.25 1.77 0.00 0.00 -1.33 0.00 0.00 177.39 178.08 1kzw n ALA 73 N 1.62 0.00 -0.86 -1.18 0.00 -1.26 -4.65 120.51 114.18 1kzw n ALA 73 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1kzw n ALA 73 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1kzw n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1kzw n ASP 74 N 0.37 0.00 -2.68 0.00 5.68 -1.26 -4.56 116.55 114.10 1kzw n ASP 74 Ca 0.00 0.12 -0.05 0.00 -0.50 0.00 0.00 54.79 54.36 1kzw n ASP 74 Cb 0.00 -0.07 0.06 0.00 -1.14 0.00 0.00 41.12 39.97 1kzw n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kzw n GLY 75 N 2.14 -1.51 2.74 6.12 0.00 -1.26 -5.08 105.19 108.33 1kzw n GLY 75 Ca 0.00 0.96 -0.19 0.00 0.00 0.00 0.00 46.02 46.79 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 0.39 -0.33 -0.40 2.61 2.01 -1.26 -5.02 115.64 113.63 1kzw s THR 76 Ca 0.26 -0.29 -0.27 0.00 0.31 0.00 0.00 61.69 61.70 1kzw s THR 76 Cb 0.18 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.91 1kzw s THR 76 CO -0.10 -0.34 1.00 -1.61 -0.69 0.00 0.00 174.62 172.88 1kzw s GLU 77 N 2.32 3.80 -0.29 4.92 2.02 -1.26 -3.99 118.70 126.22 1kzw s GLU 77 Ca 0.08 0.59 0.02 0.00 0.02 0.00 0.00 54.97 55.67 1kzw s GLU 77 Cb -0.15 -3.84 0.07 0.00 0.10 0.00 0.00 34.13 30.31 1kzw s GLU 77 CO -0.21 -1.09 -0.04 -0.51 0.02 0.00 0.00 175.26 173.43 1kzw s LEU 78 N 3.78 3.89 -0.23 1.80 1.43 -0.10 -1.31 118.68 127.93 1kzw s LEU 78 Ca 0.41 -1.53 -0.21 0.00 -1.03 0.00 0.00 54.13 51.77 1kzw s LEU 78 Cb -0.11 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1kzw s LEU 78 CO 0.22 -0.26 0.66 -0.60 0.23 0.00 0.00 176.35 176.60 1kzw s ARG 79 N 1.11 4.15 0.00 1.70 3.52 0.22 -0.38 118.95 129.27 1kzw s ARG 79 Ca -0.04 0.63 0.00 0.00 -0.13 0.00 0.00 55.73 56.19 1kzw s ARG 79 Cb -0.20 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 1kzw s ARG 79 CO -0.04 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 174.49 1kzw n GLY 80 N 3.99 1.31 3.03 8.12 0.00 -1.05 -0.64 105.19 119.95 1kzw n GLY 80 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.55 -0.01 -0.25 2.61 -4.23 -0.90 -2.64 115.64 108.68 1kzw s THR 81 Ca 0.00 0.03 -0.22 0.00 -1.18 0.00 0.00 61.69 60.33 1kzw s THR 81 Cb 0.00 -0.24 -0.01 0.00 1.34 0.00 0.00 72.50 73.58 1kzw s THR 81 CO 0.00 0.01 0.70 0.26 -0.54 0.00 0.00 174.62 175.05 1kzw s TRP 82 N 0.30 3.29 -0.17 3.99 0.52 -1.26 -1.45 118.94 124.17 1kzw s TRP 82 Ca -0.02 0.93 -0.00 0.00 0.02 0.00 0.00 56.10 57.03 1kzw s TRP 82 Cb -0.03 -2.91 -0.00 0.00 -1.15 0.00 0.00 33.47 29.37 1kzw s TRP 82 CO -0.01 -0.35 -0.13 0.45 0.02 0.00 0.00 176.95 176.93 1kzw s SER 83 N 1.42 3.77 -0.58 2.95 0.15 -0.35 -3.26 113.70 117.80 1kzw s SER 83 Ca 0.29 -0.45 -0.25 0.00 0.70 0.00 0.00 55.95 56.24 1kzw s SER 83 Cb -0.15 -1.59 0.04 0.00 -1.71 0.00 0.00 66.02 62.60 1kzw s SER 83 CO 0.08 0.07 1.02 -0.22 1.20 0.00 0.00 173.24 175.39 1kzw s LEU 84 N 0.91 3.91 -1.01 3.45 2.96 -1.26 -0.89 118.68 126.75 1kzw s LEU 84 Ca -0.03 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 1kzw s LEU 84 Cb -0.15 -2.85 0.26 0.00 0.50 0.00 0.00 46.19 43.95 1kzw s LEU 84 CO -0.01 -1.35 1.00 -0.62 -1.32 0.00 0.00 176.35 174.05 1kzw n GLU 85 N 7.84 3.21 0.00 1.98 -0.58 0.44 -4.94 120.64 128.59 1kzw n GLU 85 Ca 0.03 -4.48 0.00 0.00 -0.42 0.00 0.00 57.16 52.28 1kzw n GLU 85 Cb 0.48 -2.48 0.00 0.00 -0.57 0.00 0.00 31.44 28.87 1kzw n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kzw n GLY 86 N 2.33 1.53 2.41 0.62 0.00 -1.26 -2.88 105.19 107.94 1kzw n GLY 86 Ca 0.23 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 1kzw n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kzw n ASN 87 N 7.99 5.86 -3.66 1.61 4.13 -1.26 -4.96 115.26 124.98 1kzw n ASN 87 Ca 0.00 -3.76 -0.23 0.00 1.68 0.00 0.00 54.58 52.26 1kzw n ASN 87 Cb 0.00 -0.64 -0.17 0.00 -1.54 0.00 0.00 39.78 37.43 1kzw n ASN 87 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1kzw s LYS 88 N -3.72 0.08 -0.58 3.52 1.02 -1.14 -4.44 119.74 114.49 1kzw s LYS 88 Ca 0.53 0.11 -0.24 0.00 0.02 0.00 0.00 55.97 56.39 1kzw s LYS 88 Cb 0.43 -1.21 0.05 0.00 -0.52 0.00 0.00 37.83 36.58 1kzw s LYS 88 CO -0.14 -0.49 0.97 -0.51 -0.92 0.00 0.00 175.35 174.25 1kzw s LEU 89 N 2.12 4.09 -0.40 3.17 1.43 -0.37 -0.42 118.68 128.31 1kzw s LEU 89 Ca 0.03 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.54 1kzw s LEU 89 Cb -0.14 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.33 1kzw s LEU 89 CO -0.06 -1.29 0.30 -0.63 0.23 0.00 0.00 176.35 174.90 1kzw s ILE 90 N 4.06 5.25 -0.80 -0.59 1.01 -0.07 -1.01 121.20 129.05 1kzw s ILE 90 Ca 0.30 -0.60 -0.20 0.00 0.00 0.00 0.00 60.65 60.14 1kzw s ILE 90 Cb -0.13 -3.91 0.10 0.00 0.01 0.00 0.00 42.46 38.53 1kzw s ILE 90 CO 0.18 -0.28 1.04 -0.83 0.00 0.00 0.00 174.94 175.04 1kzw s GLY 91 N 1.69 1.69 -0.70 6.18 0.00 0.57 -1.21 107.32 115.53 1kzw s GLY 91 Ca 0.05 -2.36 -0.23 0.00 0.00 0.00 0.00 44.72 42.19 1kzw s GLY 91 CO 0.10 2.01 1.03 0.54 0.00 0.00 0.00 173.10 176.79 1kzw s LYS 92 N 3.26 3.18 0.02 2.90 1.02 -0.53 -0.88 119.74 128.71 1kzw s LYS 92 Ca 0.27 -0.84 0.09 0.00 0.02 0.00 0.00 55.97 55.50 1kzw s LYS 92 Cb -0.11 -4.31 -0.03 0.00 -0.52 0.00 0.00 37.83 32.86 1kzw s LYS 92 CO -0.01 -1.87 -0.26 -0.06 -0.92 0.00 0.00 175.35 172.23 1kzw s PHE 93 N 4.19 2.34 -0.04 3.18 0.08 -0.08 -2.11 117.98 125.55 1kzw s PHE 93 Ca 0.25 -0.41 0.06 0.00 0.12 0.00 0.00 56.93 56.95 1kzw s PHE 93 Cb -0.14 -1.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1kzw s PHE 93 CO 0.09 0.07 -0.22 0.21 -0.10 0.00 0.00 175.22 175.27 1kzw s LYS 94 N -1.02 2.03 -0.08 0.44 2.20 0.19 0.13 119.74 123.63 1kzw s LYS 94 Ca 0.11 -0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 54.64 1kzw s LYS 94 Cb -0.10 -1.83 -0.06 0.00 -1.51 0.00 0.00 37.83 34.33 1kzw s LYS 94 CO 0.01 0.39 1.79 1.03 -0.36 0.00 0.00 175.35 178.22 1kzw s ARG 95 N -0.28 3.99 -1.26 4.03 1.81 -0.76 -0.61 118.95 125.87 1kzw s ARG 95 Ca 0.02 2.19 -0.15 0.00 -1.72 0.00 0.00 55.73 56.07 1kzw s ARG 95 Cb -0.11 -4.08 -0.04 0.00 -0.45 0.00 0.00 34.95 30.27 1kzw s ARG 95 CO 0.01 -1.09 2.24 0.25 -0.68 0.00 0.00 175.30 176.04 1kzw n THR 96 N 5.90 3.06 0.00 0.02 -2.24 -0.42 -1.95 114.28 118.66 1kzw n THR 96 Ca 0.20 -2.46 0.00 0.00 -2.27 0.00 0.00 64.05 59.52 1kzw n THR 96 Cb 0.43 -2.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.16 1kzw n THR 96 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1kzw n ASP 97 N 5.98 -0.07 -0.10 3.42 2.03 -1.26 -4.90 116.55 121.65 1kzw n ASP 97 Ca 0.54 0.10 -0.15 0.00 0.52 0.00 0.00 54.79 55.81 1kzw n ASP 97 Cb 0.35 0.19 -0.14 0.00 -0.72 0.00 0.00 41.12 40.80 1kzw n ASP 97 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1kzw n ASN 98 N -1.86 1.25 0.00 1.67 4.13 -1.18 -5.02 115.26 114.24 1kzw n ASN 98 Ca 0.00 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1kzw n ASN 98 Cb 0.00 0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 1kzw n ASN 98 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kzw n GLY 99 N 2.01 0.74 3.74 7.41 0.00 -0.82 -5.04 105.19 113.23 1kzw n GLY 99 Ca -0.38 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1kzw n GLY 99 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kzw s ASN 100 N -2.38 7.33 -0.04 1.61 0.01 -1.26 -4.74 114.94 115.47 1kzw s ASN 100 Ca 0.00 1.59 -0.19 0.00 -0.71 0.00 0.00 52.86 53.55 1kzw s ASN 100 Cb 0.00 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.09 1kzw s ASN 100 CO 0.00 -0.02 0.54 -1.83 -1.51 0.00 0.00 177.10 174.28 1kzw s GLU 101 N -0.00 4.28 -0.13 -0.60 1.03 -1.26 -1.84 118.70 120.18 1kzw s GLU 101 Ca 0.42 0.62 0.01 0.00 0.03 0.00 0.00 54.97 56.05 1kzw s GLU 101 Cb -0.22 -3.36 0.02 0.00 -0.80 0.00 0.00 34.13 29.77 1kzw s GLU 101 CO 0.26 0.33 -0.13 -1.17 -1.33 0.00 0.00 175.26 173.22 1kzw s LEU 102 N -0.01 1.61 -0.41 1.83 0.20 0.12 -3.61 118.68 118.40 1kzw s LEU 102 Ca 0.29 -0.43 -0.15 0.00 0.69 0.00 0.00 54.13 54.53 1kzw s LEU 102 Cb -0.17 -1.08 0.02 0.00 -0.43 0.00 0.00 46.19 44.54 1kzw s LEU 102 CO 0.15 -0.04 0.30 0.20 -0.29 0.00 0.00 176.35 176.67 1kzw s ASN 103 N 1.33 6.09 -0.54 3.68 0.01 0.07 -0.90 114.94 124.67 1kzw s ASN 103 Ca 0.00 -0.94 -0.16 0.00 -0.71 0.00 0.00 52.86 51.06 1kzw s ASN 103 Cb -0.14 -2.15 0.13 0.00 0.41 0.00 0.00 41.25 39.50 1kzw s ASN 103 CO -0.07 -0.46 0.51 -0.89 -1.51 0.00 0.00 177.10 174.68 1kzw s THR 104 N 1.67 5.21 -0.55 1.60 2.01 -0.06 -0.87 115.64 124.65 1kzw s THR 104 Ca 0.05 -1.50 -0.23 0.00 0.31 0.00 0.00 61.69 60.31 1kzw s THR 104 Cb -0.19 -4.34 0.05 0.00 0.01 0.00 0.00 72.50 68.02 1kzw s THR 104 CO 0.10 -0.88 0.87 -0.69 -0.69 0.00 0.00 174.62 173.33 1kzw s VAL 105 N 1.60 4.49 -0.40 3.82 1.01 -0.29 -0.32 120.40 130.31 1kzw s VAL 105 Ca 0.03 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 1kzw s VAL 105 Cb -0.30 -4.50 0.02 0.00 0.00 0.00 0.00 36.38 31.60 1kzw s VAL 105 CO 0.03 -1.08 1.14 -0.13 0.00 0.00 0.00 175.10 175.05 1kzw s ARG 106 N 3.66 3.86 0.03 2.72 0.52 -0.18 -1.27 118.95 128.29 1kzw s ARG 106 Ca 0.26 0.83 0.01 0.00 -0.52 0.00 0.00 55.73 56.31 1kzw s ARG 106 Cb -0.15 -3.84 -0.02 0.00 0.52 0.00 0.00 34.95 31.46 1kzw s ARG 106 CO 0.16 -1.19 -0.06 -2.00 0.02 0.00 0.00 175.30 172.24 1kzw s GLU 107 N 4.15 0.41 0.22 3.54 2.12 -0.80 -1.23 118.70 127.12 1kzw s GLU 107 Ca 0.48 -0.56 -0.30 0.00 0.36 0.00 0.00 54.97 54.95 1kzw s GLU 107 Cb -0.10 -0.19 -0.08 0.00 0.26 0.00 0.00 34.13 34.01 1kzw s GLU 107 CO 0.25 0.03 0.95 0.42 -0.54 0.00 0.00 175.26 176.37 1kzw s ILE 108 N -1.06 4.12 -0.53 -3.70 1.09 -1.26 -0.60 121.20 119.26 1kzw s ILE 108 Ca -0.08 2.06 0.03 0.00 -1.10 0.00 0.00 60.65 61.56 1kzw s ILE 108 Cb -0.08 -4.31 0.13 0.00 -1.06 0.00 0.00 42.46 37.14 1kzw s ILE 108 CO -0.00 0.46 0.28 -0.51 -0.10 0.00 0.00 174.94 175.07 1kzw s ILE 109 N -0.98 2.69 0.00 2.92 2.07 0.76 -4.93 121.20 123.73 1kzw s ILE 109 Ca 0.42 -3.31 0.00 0.00 -1.41 0.00 0.00 60.65 56.36 1kzw s ILE 109 Cb -0.26 -2.85 0.00 0.00 0.13 0.00 0.00 42.46 39.48 1kzw s ILE 109 CO 0.32 -0.81 0.00 0.61 -1.91 0.00 0.00 174.94 173.15 1kzw n GLY 110 N 3.12 1.08 0.50 1.50 0.00 -1.26 -2.46 105.19 107.67 1kzw n GLY 110 Ca 0.05 0.33 0.12 0.00 0.00 0.00 0.00 46.02 46.53 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 7.24 1.80 -4.14 1.61 5.75 -1.26 -5.02 116.55 122.53 1kzw n ASP 111 Ca 0.00 -1.41 -0.29 0.00 -0.01 0.00 0.00 54.79 53.08 1kzw n ASP 111 Cb 0.00 0.20 -0.17 0.00 -1.03 0.00 0.00 41.12 40.13 1kzw n ASP 111 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1kzw s GLU 112 N -2.32 2.52 -0.36 0.11 2.02 -1.03 -2.75 118.70 116.89 1kzw s GLU 112 Ca 0.25 -0.70 -0.27 0.00 0.02 0.00 0.00 54.97 54.28 1kzw s GLU 112 Cb 0.19 -1.96 0.02 0.00 0.10 0.00 0.00 34.13 32.48 1kzw s GLU 112 CO 0.47 0.11 0.97 -1.17 0.02 0.00 0.00 175.26 175.66 1kzw s LEU 113 N 0.50 3.96 -0.11 1.80 2.96 0.39 -0.17 118.68 128.00 1kzw s LEU 113 Ca -0.17 0.68 -0.27 0.00 -0.22 0.00 0.00 54.13 54.16 1kzw s LEU 113 Cb -0.17 -3.34 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 1kzw s LEU 113 CO 0.06 -0.88 0.90 0.68 -1.32 0.00 0.00 176.35 175.79 1kzw s VAL 114 N 3.57 4.87 -0.53 1.68 -7.23 0.24 -0.90 120.40 122.10 1kzw s VAL 114 Ca 0.40 1.82 -0.16 0.00 -1.81 0.00 0.00 61.98 62.23 1kzw s VAL 114 Cb -0.12 -4.21 0.12 0.00 0.56 0.00 0.00 36.38 32.72 1kzw s VAL 114 CO 0.19 0.07 0.51 -1.10 -0.31 0.00 0.00 175.10 174.46 1kzw s GLN 115 N 1.75 3.00 -0.48 4.82 -0.21 -0.78 -1.89 119.66 125.87 1kzw s GLN 115 Ca 0.44 -1.58 -0.22 0.00 0.02 0.00 0.00 55.36 54.02 1kzw s GLN 115 Cb -0.18 -4.26 0.03 0.00 1.00 0.00 0.00 33.01 29.60 1kzw s GLN 115 CO 0.17 -1.30 0.74 0.99 -2.12 0.00 0.00 175.29 173.77 1kzw s THR 116 N 1.78 4.69 -0.52 -0.19 2.01 -0.40 -2.54 115.64 120.47 1kzw s THR 116 Ca 0.05 0.13 -0.13 0.00 0.31 0.00 0.00 61.69 62.04 1kzw s THR 116 Cb -0.28 -4.33 0.13 0.00 0.01 0.00 0.00 72.50 68.03 1kzw s THR 116 CO 0.04 -0.78 0.45 -0.31 -0.69 0.00 0.00 174.62 173.33 1kzw s TYR 117 N 3.15 3.33 -0.36 4.92 2.02 0.35 -1.14 117.35 129.63 1kzw s TYR 117 Ca 0.25 -1.55 -0.14 0.00 -0.37 0.00 0.00 57.07 55.26 1kzw s TYR 117 Cb -0.14 -3.68 -0.01 0.00 -0.40 0.00 0.00 41.96 37.73 1kzw s TYR 117 CO 0.19 -1.01 0.28 0.08 -1.57 0.00 0.00 175.55 173.52 1kzw s VAL 118 N 1.45 5.26 -0.20 0.71 1.01 -0.05 -2.54 120.40 126.04 1kzw s VAL 118 Ca 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1kzw s VAL 118 Cb -0.28 -3.78 0.06 0.00 0.00 0.00 0.00 36.38 32.38 1kzw s VAL 118 CO 0.01 -0.09 0.04 -0.47 0.00 0.00 0.00 175.10 174.59 1kzw s TYR 119 N 1.78 1.02 0.00 5.22 5.04 -1.00 -0.75 117.35 128.66 1kzw s TYR 119 Ca 0.07 -0.87 0.00 0.00 -2.44 0.00 0.00 57.07 53.83 1kzw s TYR 119 Cb -0.18 -1.03 0.00 0.00 0.35 0.00 0.00 41.96 41.10 1kzw s TYR 119 CO 0.11 -0.62 0.00 0.39 -1.34 0.00 0.00 175.55 174.09 1kzw n GLU 120 N 5.05 0.00 -3.08 4.97 -0.58 -1.24 -2.86 120.64 122.90 1kzw n GLU 120 Ca -0.09 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.49 1kzw n GLU 120 Cb 0.47 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.33 1kzw n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kzw n GLY 121 N 0.00 3.04 3.39 0.62 0.00 -1.26 -5.13 105.19 105.85 1kzw n GLY 121 Ca 0.00 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.15 0.03 -0.07 1.61 0.11 -1.13 -5.12 120.40 113.68 1kzw s VAL 122 Ca 0.37 -0.26 -0.05 0.00 -2.93 0.00 0.00 61.98 59.11 1kzw s VAL 122 Cb 0.35 -0.97 0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1kzw s VAL 122 CO -0.07 -0.14 0.17 -1.83 -3.33 0.00 0.00 175.10 169.90 1kzw s GLU 123 N -2.46 0.17 0.03 1.54 1.03 -1.26 -2.37 118.70 115.38 1kzw s GLU 123 Ca -0.05 0.29 0.04 0.00 0.03 0.00 0.00 54.97 55.27 1kzw s GLU 123 Cb -0.01 0.01 -0.02 0.00 -0.80 0.00 0.00 34.13 33.32 1kzw s GLU 123 CO -0.02 -0.07 -0.12 0.00 -1.33 0.00 0.00 175.26 173.72 1kzw s ALA 124 N 0.43 1.00 -0.37 -0.84 0.00 -1.05 -4.84 121.76 116.08 1kzw s ALA 124 Ca -0.03 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1kzw s ALA 124 Cb -0.04 -0.15 0.11 0.00 0.00 0.00 0.00 23.12 23.04 1kzw s ALA 124 CO -0.02 0.18 0.09 0.15 0.00 0.00 0.00 175.76 176.15 1kzw s LYS 125 N -1.05 1.57 -0.19 0.00 1.02 -0.10 -0.49 119.74 120.48 1kzw s LYS 125 Ca 0.00 -2.01 -0.21 0.00 0.02 0.00 0.00 55.97 53.77 1kzw s LYS 125 Cb -0.07 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 33.99 1kzw s LYS 125 CO 0.01 -0.97 0.65 -0.98 -0.92 0.00 0.00 175.35 173.13 1kzw s ARG 126 N 0.69 4.22 -0.14 1.68 1.70 -1.05 -1.07 118.95 124.97 1kzw s ARG 126 Ca 0.12 0.65 -0.03 0.00 -0.47 0.00 0.00 55.73 56.01 1kzw s ARG 126 Cb -0.20 -3.58 -0.03 0.00 -0.57 0.00 0.00 34.95 30.58 1kzw s ARG 126 CO -0.07 -0.24 -0.05 0.42 -1.08 0.00 0.00 175.30 174.28 1kzw s ILE 127 N 1.92 3.77 -0.13 4.99 1.01 -0.26 -1.86 121.20 130.65 1kzw s ILE 127 Ca 0.30 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1kzw s ILE 127 Cb -0.16 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1kzw s ILE 127 CO 0.11 0.51 -0.22 -0.36 0.00 0.00 0.00 174.94 174.98 1kzw s PHE 128 N 0.20 2.65 0.25 3.97 0.40 -0.07 -0.14 117.98 125.24 1kzw s PHE 128 Ca -0.03 -1.17 -0.22 0.00 -0.60 0.00 0.00 56.93 54.90 1kzw s PHE 128 Cb -0.14 -1.79 -0.09 0.00 0.51 0.00 0.00 43.02 41.52 1kzw s PHE 128 CO 0.03 -0.51 0.81 0.15 0.70 0.00 0.00 175.22 176.40 1kzw s LYS 129 N 0.62 4.40 -0.04 0.44 1.02 0.00 -0.46 119.74 125.72 1kzw s LYS 129 Ca -0.11 1.06 -0.30 0.00 0.02 0.00 0.00 55.97 56.64 1kzw s LYS 129 Cb -0.16 -2.89 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 1kzw s LYS 129 CO 0.03 0.37 1.51 0.21 -0.92 0.00 0.00 175.35 176.54 1kzw s LYS 130 N -1.93 4.22 0.00 1.68 2.20 -1.11 -1.65 119.74 123.15 1kzw s LYS 130 Ca 0.45 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 58.11 1kzw s LYS 130 Cb -0.18 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 1kzw s LYS 130 CO 0.22 -0.73 0.25 -3.47 -0.36 0.00 0.00 175.35 171.26