#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 0.00 -2.53 0.00 3.72 -1.26 -4.91 117.46 112.48 1kzw n PHE 2 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 1kzw n PHE 2 Cb 0.00 -0.27 -0.01 0.00 -0.94 0.00 0.00 39.48 38.26 1kzw n PHE 2 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1kzw s ASP 3 N -0.84 6.61 0.15 4.37 1.11 -1.26 -4.61 116.67 122.20 1kzw s ASP 3 Ca 0.00 -2.21 -0.24 0.00 0.18 0.00 0.00 52.55 50.28 1kzw s ASP 3 Cb 0.00 -2.58 0.07 0.00 1.07 0.00 0.00 42.92 41.49 1kzw s ASP 3 CO 0.00 -1.40 1.02 -0.44 1.18 0.00 0.00 175.17 175.53 1kzw s SER 4 N 4.58 -0.08 -0.04 0.27 0.01 -1.12 -4.96 113.70 112.36 1kzw s SER 4 Ca 0.54 -0.51 -0.23 0.00 1.31 0.00 0.00 55.95 57.07 1kzw s SER 4 Cb 0.03 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.68 1kzw s SER 4 CO 0.06 -0.89 0.68 -0.89 0.41 0.00 0.00 173.24 172.61 1kzw s THR 5 N -2.71 4.98 -0.21 1.44 2.01 -1.26 -1.60 115.64 118.29 1kzw s THR 5 Ca 0.17 1.42 -0.02 0.00 0.31 0.00 0.00 61.69 63.56 1kzw s THR 5 Cb -0.01 -4.02 0.06 0.00 0.01 0.00 0.00 72.50 68.54 1kzw s THR 5 CO 0.03 0.30 0.02 0.26 -0.69 0.00 0.00 174.62 174.55 1kzw s TRP 6 N 0.48 1.34 -0.14 4.92 0.52 -0.39 -0.57 118.94 125.10 1kzw s TRP 6 Ca 0.36 -1.09 -0.05 0.00 0.02 0.00 0.00 56.10 55.34 1kzw s TRP 6 Cb -0.18 -1.18 -0.04 0.00 -1.15 0.00 0.00 33.47 30.92 1kzw s TRP 6 CO 0.18 -0.66 0.03 0.21 0.02 0.00 0.00 176.95 176.74 1kzw s LYS 7 N 1.75 3.54 -0.05 4.98 2.36 -0.48 -0.57 119.74 131.27 1kzw s LYS 7 Ca -0.01 -0.37 -0.32 0.00 -2.55 0.00 0.00 55.97 52.72 1kzw s LYS 7 Cb -0.17 -3.02 -0.10 0.00 -1.05 0.00 0.00 37.83 33.49 1kzw s LYS 7 CO -0.09 0.47 1.97 1.55 1.55 0.00 0.00 175.35 180.80 1kzw n VAL 8 N 2.89 0.65 -0.03 4.02 3.14 -0.79 -0.83 118.33 127.38 1kzw n VAL 8 Ca -0.18 -0.15 -0.07 0.00 -2.96 0.00 0.00 64.34 60.98 1kzw n VAL 8 Cb 0.53 -2.14 -0.02 0.00 -1.06 0.00 0.00 33.84 31.14 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 7.58 0.78 -3.15 6.55 2.03 -0.23 -4.87 116.55 125.24 1kzw n ASP 9 Ca 0.22 0.12 -0.21 0.00 0.52 0.00 0.00 54.79 55.45 1kzw n ASP 9 Cb 0.36 -0.30 -0.05 0.00 -0.72 0.00 0.00 41.12 40.41 1kzw n ASP 9 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1kzw n ARG 10 N -3.48 0.53 -2.45 -0.67 1.85 -0.96 -5.05 116.66 106.44 1kzw n ARG 10 Ca -0.13 -2.88 -0.42 0.00 -1.00 0.00 0.00 57.85 53.42 1kzw n ARG 10 Cb 0.48 -1.42 -0.03 0.00 -1.05 0.00 0.00 32.46 30.45 1kzw n ARG 10 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1kzw s SER 11 N -0.65 7.07 0.00 2.89 1.04 -1.26 -3.88 113.70 118.90 1kzw s SER 11 Ca 0.33 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.67 1kzw s SER 11 Cb 0.12 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1kzw s SER 11 CO -0.15 -0.52 0.03 -0.62 0.98 0.00 0.00 173.24 172.96 1kzw n GLU 12 N 4.61 0.00 -3.20 4.02 1.02 -0.18 -4.54 120.64 122.37 1kzw n GLU 12 Ca 0.10 0.35 -0.40 0.00 -0.02 0.00 0.00 57.16 57.18 1kzw n GLU 12 Cb 0.46 -0.87 -0.07 0.00 -0.02 0.00 0.00 31.44 30.94 1kzw n GLU 12 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1kzw s ASN 13 N -2.38 6.44 -0.32 1.62 2.47 -1.26 -4.96 114.94 116.55 1kzw s ASN 13 Ca 0.00 0.44 0.17 0.00 0.42 0.00 0.00 52.86 53.88 1kzw s ASN 13 Cb 0.00 -2.29 0.47 0.00 -1.45 0.00 0.00 41.25 37.98 1kzw s ASN 13 CO 0.00 -0.36 1.04 0.00 -3.72 0.00 0.00 177.10 174.07 1kzw n TYR 14 N 5.65 1.65 0.13 0.43 9.36 -1.26 -3.91 117.16 129.21 1kzw n TYR 14 Ca -0.03 -2.58 0.00 0.00 3.32 0.00 0.00 57.90 58.60 1kzw n TYR 14 Cb 0.49 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 1kzw n TYR 14 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1kzw n ASP 15 N -0.34 -1.11 0.05 2.98 8.00 -1.26 -4.58 116.55 120.29 1kzw n ASP 15 Ca 0.16 0.48 0.03 0.00 0.71 0.00 0.00 54.79 56.16 1kzw n ASP 15 Cb 0.81 1.19 0.39 0.00 -0.02 0.00 0.00 41.12 43.49 1kzw n ASP 15 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1kzw h LYS 16 N 0.00 0.41 0.46 -1.24 1.79 -1.97 -0.87 116.57 115.15 1kzw h LYS 16 Ca 0.00 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1kzw h LYS 16 Cb 0.00 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 1kzw h LYS 16 CO 0.00 0.39 -0.51 0.35 -1.08 0.00 0.00 179.45 178.61 1kzw h PHE 17 N 0.40 -1.41 -0.58 -1.35 3.57 -1.89 -0.45 116.94 115.24 1kzw h PHE 17 Ca 0.10 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.72 1kzw h PHE 17 Cb 0.18 0.55 -0.09 0.00 2.79 0.00 0.00 35.95 39.39 1kzw h PHE 17 CO 0.01 -0.66 0.08 0.52 -2.23 0.00 0.00 178.31 176.02 1kzw h MET 18 N -0.98 0.20 -0.71 1.11 2.86 -1.84 -1.95 114.93 113.61 1kzw h MET 18 Ca -0.06 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1kzw h MET 18 Cb 0.86 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.44 1kzw h MET 18 CO -0.09 0.13 0.47 1.49 1.06 0.00 0.00 176.91 179.98 1kzw h GLU 19 N 0.21 0.93 -0.96 1.72 4.81 -1.17 -2.76 114.58 117.36 1kzw h GLU 19 Ca 0.30 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.55 1kzw h GLU 19 Cb 0.45 -0.21 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 1kzw h GLU 19 CO -0.42 0.62 0.62 -0.22 -0.73 0.00 0.00 179.01 178.88 1kzw h LYS 20 N 0.96 1.04 0.00 1.92 1.63 -0.88 -2.97 116.57 118.27 1kzw h LYS 20 Ca 0.27 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.99 1kzw h LYS 20 Cb -0.10 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 31.30 1kzw h LYS 20 CO -0.06 0.69 -0.06 0.52 -3.45 0.00 0.00 179.45 177.08 1kzw h MET 21 N 1.07 0.00 -0.31 1.90 2.86 -1.08 -3.48 114.93 115.89 1kzw h MET 21 Ca 0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 1kzw h MET 21 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1kzw h MET 21 CO -0.18 0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.26 1kzw n GLY 22 N -0.69 1.00 3.69 8.32 0.00 -1.10 -5.11 105.19 111.29 1kzw n GLY 22 Ca -0.02 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.31 4.50 0.89 1.61 -7.23 -1.21 -5.08 120.40 111.57 1kzw s VAL 23 Ca 0.00 -0.17 -0.10 0.00 -1.81 0.00 0.00 61.98 59.90 1kzw s VAL 23 Cb 0.00 -2.93 0.13 0.00 0.56 0.00 0.00 36.38 34.15 1kzw s VAL 23 CO 0.00 0.58 1.12 0.54 -0.31 0.00 0.00 175.10 177.04 1kzw s ASN 24 N -0.66 3.20 0.30 4.85 2.20 -1.26 -4.63 114.94 118.94 1kzw s ASN 24 Ca 0.11 2.04 0.04 0.00 -0.94 0.00 0.00 52.86 54.10 1kzw s ASN 24 Cb -0.12 -2.53 0.64 0.00 -2.00 0.00 0.00 41.25 37.25 1kzw s ASN 24 CO 0.02 -2.90 1.82 -0.29 -2.94 0.00 0.00 177.10 172.82 1kzw h ILE 25 N -1.73 0.85 0.29 0.54 6.09 -2.00 0.88 117.51 122.43 1kzw h ILE 25 Ca -0.44 -0.31 -0.01 0.00 -1.37 0.00 0.00 64.86 62.73 1kzw h ILE 25 Cb 1.26 -0.12 0.00 0.00 0.47 0.00 0.00 36.82 38.43 1kzw h ILE 25 CO 0.45 0.16 -0.14 0.58 -3.07 0.00 0.00 178.15 176.13 1kzw h VAL 26 N 0.89 0.72 -0.52 2.19 2.07 -1.99 -1.17 116.25 118.44 1kzw h VAL 26 Ca 0.52 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 68.03 1kzw h VAL 26 Cb 0.64 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1kzw h VAL 26 CO -0.29 0.01 0.35 0.11 0.02 0.00 0.00 177.57 177.76 1kzw h LYS 27 N -0.40 0.61 -0.15 1.57 6.56 -1.82 -0.40 116.57 122.53 1kzw h LYS 27 Ca -0.04 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.50 1kzw h LYS 27 Cb 0.31 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.82 1kzw h LYS 27 CO 0.06 0.41 0.04 0.00 -2.06 0.00 0.00 179.45 177.90 1kzw h ARG 28 N 0.63 0.24 -0.16 3.15 3.08 -0.75 0.84 114.38 121.42 1kzw h ARG 28 Ca 0.20 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.21 1kzw h ARG 28 Cb 0.04 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1kzw h ARG 28 CO -0.05 0.38 0.06 0.87 -1.07 0.00 0.00 179.97 180.15 1kzw h LYS 29 N 0.06 0.13 0.22 0.04 1.57 -1.14 -1.44 116.57 116.01 1kzw h LYS 29 Ca 0.05 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1kzw h LYS 29 Cb 0.24 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1kzw h LYS 29 CO -0.00 0.09 -0.18 -0.07 -0.57 0.00 0.00 179.45 178.71 1kzw h LEU 30 N 0.13 -0.48 -0.38 2.94 3.38 -1.12 -2.40 115.31 117.39 1kzw h LEU 30 Ca 0.07 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1kzw h LEU 30 Cb 0.03 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1kzw h LEU 30 CO -0.06 -0.28 0.12 0.00 0.09 0.00 0.00 178.44 178.31 1kzw h ALA 31 N 0.32 0.44 -0.51 1.53 0.00 -0.87 -2.20 119.26 117.98 1kzw h ALA 31 Ca -0.01 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1kzw h ALA 31 Cb 0.38 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1kzw h ALA 31 CO -0.02 -0.27 0.08 0.00 0.00 0.00 0.00 179.25 179.04 1kzw h ALA 32 N 1.25 0.55 -0.93 0.00 0.00 -1.31 -3.16 119.26 115.66 1kzw h ALA 32 Ca 0.18 0.12 -0.53 0.00 0.00 0.00 0.00 54.91 54.67 1kzw h ALA 32 Cb 0.17 0.17 -0.28 0.00 0.00 0.00 0.00 17.79 17.84 1kzw h ALA 32 CO -0.19 -0.33 0.68 0.72 0.00 0.00 0.00 179.25 180.13 1kzw n HIS 33 N -5.14 2.92 0.18 0.00 8.25 -0.90 -4.78 115.22 115.75 1kzw n HIS 33 Ca 0.06 -2.10 0.12 0.00 -0.26 0.00 0.00 57.72 55.53 1kzw n HIS 33 Cb 0.26 -1.05 0.08 0.00 1.12 0.00 0.00 29.99 30.40 1kzw n HIS 33 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1kzw h ASP 34 N 1.23 0.00 -4.76 0.41 3.58 -1.36 -3.48 116.42 112.04 1kzw h ASP 34 Ca 0.59 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.91 1kzw h ASP 34 Cb 2.18 0.00 0.09 0.00 1.72 0.00 0.00 39.33 43.32 1kzw h ASP 34 CO 1.17 0.01 -0.41 0.59 -2.88 0.00 0.00 179.24 177.72 1kzw n ASN 35 N -2.81 -5.67 -4.64 2.28 3.02 -1.26 -0.66 115.26 105.53 1kzw n ASN 35 Ca 0.02 -0.35 -0.43 0.00 -0.03 0.00 0.00 54.58 53.79 1kzw n ASN 35 Cb 0.53 -3.99 -0.03 0.00 -0.61 0.00 0.00 39.78 35.68 1kzw n ASN 35 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1kzw s LEU 36 N -4.29 4.00 -0.38 3.41 2.96 -1.26 -4.24 118.68 118.89 1kzw s LEU 36 Ca 0.22 1.01 -0.12 0.00 -0.22 0.00 0.00 54.13 55.02 1kzw s LEU 36 Cb -0.03 -3.42 0.02 0.00 0.50 0.00 0.00 46.19 43.26 1kzw s LEU 36 CO 0.54 -0.77 0.23 -0.75 -1.32 0.00 0.00 176.35 174.27 1kzw s LYS 37 N 3.39 2.93 -0.57 1.98 2.20 0.18 -1.88 119.74 127.96 1kzw s LYS 37 Ca 0.42 -1.02 -0.19 0.00 -0.36 0.00 0.00 55.97 54.82 1kzw s LYS 37 Cb -0.13 -3.78 0.09 0.00 -1.51 0.00 0.00 37.83 32.50 1kzw s LYS 37 CO 0.13 -0.68 0.69 -0.51 -0.36 0.00 0.00 175.35 174.62 1kzw s LEU 38 N 1.59 5.26 -0.40 5.43 1.43 0.26 -2.18 118.68 130.08 1kzw s LEU 38 Ca 0.03 -1.29 -0.18 0.00 -1.03 0.00 0.00 54.13 51.66 1kzw s LEU 38 Cb -0.19 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.70 1kzw s LEU 38 CO 0.08 -1.06 0.49 -0.89 0.23 0.00 0.00 176.35 175.19 1kzw s THR 39 N 2.70 5.02 -0.11 5.49 2.01 -1.13 -1.26 115.64 128.37 1kzw s THR 39 Ca 0.13 -0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 1kzw s THR 39 Cb -0.23 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 1kzw s THR 39 CO 0.08 -0.37 -0.03 -0.63 -0.69 0.00 0.00 174.62 172.99 1kzw s ILE 40 N 2.33 4.05 -0.15 1.82 1.01 -0.63 -1.38 121.20 128.25 1kzw s ILE 40 Ca 0.16 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 1kzw s ILE 40 Cb -0.16 -2.71 0.07 0.00 0.01 0.00 0.00 42.46 39.66 1kzw s ILE 40 CO 0.14 0.57 0.33 -0.89 0.00 0.00 0.00 174.94 175.09 1kzw s THR 41 N -0.45 -0.31 0.09 2.92 2.01 -0.31 -2.79 115.64 116.80 1kzw s THR 41 Ca 0.07 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 1kzw s THR 41 Cb -0.12 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 71.81 1kzw s THR 41 CO 0.02 0.08 1.06 -1.58 -0.69 0.00 0.00 174.62 173.51 1kzw s GLN 42 N 2.01 4.57 -0.54 4.92 2.00 -1.26 -0.74 119.66 130.61 1kzw s GLN 42 Ca -0.04 1.59 0.04 0.00 -2.00 0.00 0.00 55.36 54.96 1kzw s GLN 42 Cb -0.11 -3.36 0.17 0.00 0.80 0.00 0.00 33.01 30.50 1kzw s GLN 42 CO -0.10 -0.01 0.40 -2.00 -0.50 0.00 0.00 175.29 173.07 1kzw s GLU 43 N 0.44 1.62 -0.73 1.67 2.12 0.76 -4.97 118.70 119.60 1kzw s GLU 43 Ca 0.52 -2.65 -0.01 0.00 0.36 0.00 0.00 54.97 53.19 1kzw s GLU 43 Cb -0.26 -2.38 0.00 0.00 0.26 0.00 0.00 34.13 31.76 1kzw s GLU 43 CO 0.30 -1.32 0.68 0.41 -0.54 0.00 0.00 175.26 174.79 1kzw n GLY 44 N 2.52 -1.24 4.51 -1.50 0.00 -1.26 -2.92 105.19 105.29 1kzw n GLY 44 Ca 0.24 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 -1.79 0.00 -4.87 1.61 4.13 -1.26 -5.00 115.26 108.08 1kzw n ASN 45 Ca -0.03 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.92 1kzw n ASN 45 Cb 0.52 -0.16 -0.04 0.00 -1.54 0.00 0.00 39.78 38.56 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 3.84 -0.07 3.52 1.02 -1.15 -2.78 119.74 124.12 1kzw s LYS 46 Ca 0.00 0.47 0.05 0.00 0.02 0.00 0.00 55.97 56.51 1kzw s LYS 46 Cb 0.00 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.86 1kzw s LYS 46 CO 0.00 0.07 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.22 1kzw s PHE 47 N -2.18 2.26 -0.31 3.18 0.08 0.19 -0.17 117.98 121.03 1kzw s PHE 47 Ca 0.51 -0.75 -0.14 0.00 0.12 0.00 0.00 56.93 56.68 1kzw s PHE 47 Cb -0.10 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1kzw s PHE 47 CO 0.26 -0.26 0.31 0.99 -0.10 0.00 0.00 175.22 176.42 1kzw s THR 48 N 0.05 5.22 -0.24 0.64 2.01 0.08 -1.72 115.64 121.68 1kzw s THR 48 Ca -0.08 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.14 1kzw s THR 48 Cb -0.14 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.71 1kzw s THR 48 CO 0.05 0.07 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.23 1kzw s VAL 49 N 1.94 2.10 -0.30 3.82 1.01 -0.33 -1.16 120.40 127.48 1kzw s VAL 49 Ca 0.11 -1.43 -0.26 0.00 0.00 0.00 0.00 61.98 60.39 1kzw s VAL 49 Cb -0.16 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.09 1kzw s VAL 49 CO 0.11 0.11 0.93 -0.54 0.00 0.00 0.00 175.10 175.71 1kzw s LYS 50 N 1.17 4.04 -1.16 2.72 1.02 -0.48 -0.66 119.74 126.39 1kzw s LYS 50 Ca -0.05 0.87 -0.11 0.00 0.02 0.00 0.00 55.97 56.70 1kzw s LYS 50 Cb -0.18 -3.72 0.23 0.00 -0.52 0.00 0.00 37.83 33.64 1kzw s LYS 50 CO -0.07 -0.76 1.26 -1.21 -0.92 0.00 0.00 175.35 173.65 1kzw s GLU 51 N 3.26 4.16 -0.40 1.68 2.02 -0.01 -2.81 118.70 126.60 1kzw s GLU 51 Ca 0.39 -2.94 -0.16 0.00 0.02 0.00 0.00 54.97 52.27 1kzw s GLU 51 Cb -0.13 -4.79 0.01 0.00 0.10 0.00 0.00 34.13 29.32 1kzw s GLU 51 CO 0.13 -1.48 0.39 0.45 0.02 0.00 0.00 175.26 174.77 1kzw s SER 52 N 1.99 6.17 0.33 -0.19 0.15 -0.92 -3.14 113.70 118.10 1kzw s SER 52 Ca 0.36 -0.60 -0.06 0.00 0.70 0.00 0.00 55.95 56.35 1kzw s SER 52 Cb -0.07 -2.21 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1kzw s SER 52 CO -0.04 -0.50 0.51 -0.94 1.20 0.00 0.00 173.24 173.47 1kzw s SER 53 N 1.77 0.63 -0.80 5.45 1.04 -1.26 -0.65 113.70 119.89 1kzw s SER 53 Ca 0.11 -1.36 -0.05 0.00 0.48 0.00 0.00 55.95 55.13 1kzw s SER 53 Cb -0.17 0.67 -0.06 0.00 0.10 0.00 0.00 66.02 66.56 1kzw s SER 53 CO 0.13 -1.31 2.07 0.00 0.98 0.00 0.00 173.24 175.10 1kzw n ALA 54 N -0.53 4.49 0.07 5.32 0.00 0.17 -3.49 120.51 126.53 1kzw n ALA 54 Ca -0.01 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.62 1kzw n ALA 54 Cb 0.61 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1kzw n ALA 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1kzw n PHE 55 N 4.10 -1.65 0.01 0.00 3.72 -1.26 -4.95 117.46 117.43 1kzw n PHE 55 Ca 0.41 0.31 0.00 0.00 -0.05 0.00 0.00 57.45 58.11 1kzw n PHE 55 Cb 0.16 0.91 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 1kzw n PHE 55 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1kzw n ARG 56 N -2.88 0.00 -1.41 -1.08 1.85 -1.23 -5.09 116.66 106.82 1kzw n ARG 56 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1kzw n ARG 56 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1kzw n ARG 56 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1kzw n ASN 57 N -2.56 -2.68 -3.98 2.89 5.15 -1.24 -4.92 115.26 107.92 1kzw n ASN 57 Ca 0.00 0.29 -0.17 0.00 -0.60 0.00 0.00 54.58 54.09 1kzw n ASN 57 Cb 0.00 -1.73 -0.15 0.00 -0.53 0.00 0.00 39.78 37.38 1kzw n ASN 57 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1kzw s ILE 58 N -0.11 0.54 -0.15 -1.44 -4.36 -1.19 -4.98 121.20 109.52 1kzw s ILE 58 Ca -0.02 -0.28 -0.26 0.00 -0.26 0.00 0.00 60.65 59.83 1kzw s ILE 58 Cb 0.00 -0.46 -0.02 0.00 1.25 0.00 0.00 42.46 43.23 1kzw s ILE 58 CO 0.05 0.16 0.85 -1.83 0.24 0.00 0.00 174.94 174.42 1kzw s GLU 59 N -0.09 4.33 -0.42 0.37 4.04 -1.26 -0.83 118.70 124.85 1kzw s GLU 59 Ca 0.02 1.08 -0.06 0.00 0.04 0.00 0.00 54.97 56.05 1kzw s GLU 59 Cb -0.03 -3.56 0.10 0.00 0.02 0.00 0.00 34.13 30.66 1kzw s GLU 59 CO -0.00 -0.30 0.24 0.08 -1.84 0.00 0.00 175.26 173.44 1kzw s VAL 60 N 2.02 3.68 -0.34 1.83 1.01 0.16 -4.95 120.40 123.82 1kzw s VAL 60 Ca 0.40 -1.82 -0.12 0.00 0.00 0.00 0.00 61.98 60.44 1kzw s VAL 60 Cb -0.17 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1kzw s VAL 60 CO 0.14 -0.64 0.22 -0.69 0.00 0.00 0.00 175.10 174.13 1kzw s VAL 61 N 1.26 5.12 0.02 2.92 1.01 -1.26 -1.19 120.40 128.28 1kzw s VAL 61 Ca 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1kzw s VAL 61 Cb -0.24 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1kzw s VAL 61 CO -0.02 -0.01 0.00 0.72 0.00 0.00 0.00 175.10 175.79 1kzw s PHE 62 N 1.69 0.26 0.04 5.22 -0.12 -0.70 -5.00 117.98 119.38 1kzw s PHE 62 Ca 0.06 -0.56 -0.18 0.00 -0.05 0.00 0.00 56.93 56.20 1kzw s PHE 62 Cb -0.17 -0.20 -0.06 0.00 -0.63 0.00 0.00 43.02 41.96 1kzw s PHE 62 CO 0.09 -0.25 0.52 -2.00 -0.05 0.00 0.00 175.22 173.54 1kzw s GLU 63 N -1.91 4.13 0.21 1.99 2.12 -1.26 -0.63 118.70 123.34 1kzw s GLU 63 Ca -0.12 0.63 -0.31 0.00 0.36 0.00 0.00 54.97 55.53 1kzw s GLU 63 Cb -0.06 -3.25 -0.11 0.00 0.26 0.00 0.00 34.13 30.97 1kzw s GLU 63 CO -0.02 0.63 1.62 -0.51 -0.54 0.00 0.00 175.26 176.43 1kzw s LEU 64 N -0.99 4.37 0.00 2.70 1.43 -1.12 -2.97 118.68 122.10 1kzw s LEU 64 Ca 0.27 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 56.16 1kzw s LEU 64 Cb -0.18 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1kzw s LEU 64 CO 0.17 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.47 1kzw n GLY 65 N 3.39 2.50 3.78 -3.19 0.00 -0.51 -4.99 105.19 106.17 1kzw n GLY 65 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.99 4.84 -0.75 1.61 1.01 -1.16 -4.90 120.40 118.06 1kzw s VAL 66 Ca 0.00 1.22 -0.26 0.00 0.00 0.00 0.00 61.98 62.94 1kzw s VAL 66 Cb 0.00 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1kzw s VAL 66 CO 0.00 0.48 1.53 0.42 0.00 0.00 0.00 175.10 177.53 1kzw s THR 67 N -0.57 3.61 0.34 3.92 -4.23 -1.26 -4.13 115.64 113.32 1kzw s THR 67 Ca 0.30 0.13 0.09 0.00 -1.18 0.00 0.00 61.69 61.03 1kzw s THR 67 Cb -0.19 -4.57 -0.06 0.00 1.34 0.00 0.00 72.50 69.02 1kzw s THR 67 CO 0.18 -1.51 -0.06 0.72 -0.54 0.00 0.00 174.62 173.41 1kzw s PHE 68 N 7.00 2.46 -0.72 3.99 -0.71 -0.11 -4.70 117.98 125.19 1kzw s PHE 68 Ca 0.49 -0.46 -0.23 0.00 -1.04 0.00 0.00 56.93 55.69 1kzw s PHE 68 Cb -0.08 -1.40 0.07 0.00 -1.21 0.00 0.00 43.02 40.40 1kzw s PHE 68 CO 0.12 0.55 1.06 -0.80 -1.34 0.00 0.00 175.22 174.82 1kzw s ASN 69 N -3.64 6.23 -0.37 1.98 -0.87 -1.26 -1.25 114.94 115.76 1kzw s ASN 69 Ca 0.33 -1.01 -0.27 0.00 -1.57 0.00 0.00 52.86 50.34 1kzw s ASN 69 Cb 0.01 -2.45 0.02 0.00 -0.02 0.00 0.00 41.25 38.81 1kzw s ASN 69 CO 0.18 -1.48 0.98 -0.47 -2.57 0.00 0.00 177.10 173.74 1kzw s TYR 70 N 4.29 3.06 -0.57 2.20 5.04 0.55 -4.81 117.35 127.10 1kzw s TYR 70 Ca 0.27 0.85 -0.18 0.00 -2.44 0.00 0.00 57.07 55.56 1kzw s TYR 70 Cb -0.13 -3.76 0.11 0.00 0.35 0.00 0.00 41.96 38.52 1kzw s TYR 70 CO 0.08 -0.88 0.64 1.21 -1.34 0.00 0.00 175.55 175.26 1kzw s ASN 71 N 1.91 6.18 0.62 4.32 3.84 -1.26 -0.65 114.94 129.91 1kzw s ASN 71 Ca 0.41 -1.55 -0.18 0.00 0.21 0.00 0.00 52.86 51.75 1kzw s ASN 71 Cb -0.11 -2.27 -0.02 0.00 -0.55 0.00 0.00 41.25 38.29 1kzw s ASN 71 CO 0.20 -1.03 1.25 -0.76 -2.79 0.00 0.00 177.10 173.97 1kzw s LEU 72 N 2.33 3.62 0.25 3.21 1.43 -0.29 -4.79 118.68 124.43 1kzw s LEU 72 Ca 0.09 2.50 -0.04 0.00 -1.03 0.00 0.00 54.13 55.65 1kzw s LEU 72 Cb -0.26 -4.61 0.48 0.00 0.03 0.00 0.00 46.19 41.83 1kzw s LEU 72 CO 0.05 -1.80 1.33 0.00 0.23 0.00 0.00 176.35 176.16 1kzw n ALA 73 N -1.76 0.28 0.27 4.21 0.00 -1.26 -0.50 120.51 121.74 1kzw n ALA 73 Ca 0.15 0.93 0.14 0.00 0.00 0.00 0.00 53.44 54.66 1kzw n ALA 73 Cb 0.49 -0.60 0.74 0.00 0.00 0.00 0.00 19.45 20.08 1kzw n ALA 73 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1kzw h ASP 74 N 0.00 0.00 0.00 0.00 1.82 -1.99 -3.42 116.42 112.83 1kzw h ASP 74 Ca 0.44 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.08 1kzw h ASP 74 Cb 0.76 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.77 1kzw h ASP 74 CO -0.85 0.10 0.00 0.61 -1.61 0.00 0.00 179.24 177.49 1kzw n GLY 75 N -0.47 0.46 3.45 -0.78 0.00 0.34 -5.12 105.19 103.07 1kzw n GLY 75 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.63 3.84 -0.47 2.61 2.01 -1.22 -4.86 115.64 116.93 1kzw s THR 76 Ca 0.00 -0.36 -0.17 0.00 0.31 0.00 0.00 61.69 61.47 1kzw s THR 76 Cb 0.00 -2.71 0.05 0.00 0.01 0.00 0.00 72.50 69.85 1kzw s THR 76 CO 0.00 0.46 0.50 -1.61 -0.69 0.00 0.00 174.62 173.27 1kzw s GLU 77 N 0.77 3.07 -0.30 4.92 8.01 -1.26 -1.14 118.70 132.77 1kzw s GLU 77 Ca -0.01 -0.99 -0.09 0.00 0.01 0.00 0.00 54.97 53.89 1kzw s GLU 77 Cb -0.14 -4.07 -0.01 0.00 -4.31 0.00 0.00 34.13 25.60 1kzw s GLU 77 CO 0.02 -1.04 0.13 -0.51 0.01 0.00 0.00 175.26 173.87 1kzw s LEU 78 N 2.17 3.95 -0.30 1.80 1.43 0.18 -2.22 118.68 125.70 1kzw s LEU 78 Ca 0.11 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 1kzw s LEU 78 Cb -0.20 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 1kzw s LEU 78 CO 0.11 -0.16 0.77 -0.60 0.23 0.00 0.00 176.35 176.70 1kzw s ARG 79 N 1.61 3.98 0.00 1.70 3.52 -0.11 -0.33 118.95 129.32 1kzw s ARG 79 Ca 0.05 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 1kzw s ARG 79 Cb -0.17 -3.72 0.00 0.00 -1.56 0.00 0.00 34.95 29.51 1kzw s ARG 79 CO 0.06 -0.64 0.00 0.41 -0.81 0.00 0.00 175.30 174.31 1kzw n GLY 80 N 4.18 -1.00 3.67 8.12 0.00 -0.38 -1.10 105.19 118.69 1kzw n GLY 80 Ca 0.03 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 4.38 -0.52 2.61 -4.23 -0.73 -0.93 115.64 113.22 1kzw s THR 81 Ca 0.00 -0.22 -0.23 0.00 -1.18 0.00 0.00 61.69 60.07 1kzw s THR 81 Cb 0.00 -2.86 0.04 0.00 1.34 0.00 0.00 72.50 71.02 1kzw s THR 81 CO 0.00 0.59 0.82 0.26 -0.54 0.00 0.00 174.62 175.75 1kzw s TRP 82 N -0.69 2.90 -0.12 3.99 0.23 -1.26 -1.01 118.94 122.98 1kzw s TRP 82 Ca 0.11 -0.11 -0.04 0.00 -2.03 0.00 0.00 56.10 54.03 1kzw s TRP 82 Cb -0.12 -3.84 -0.03 0.00 0.03 0.00 0.00 33.47 29.51 1kzw s TRP 82 CO 0.02 -1.19 0.01 -1.12 0.96 0.00 0.00 176.95 175.64 1kzw s SER 83 N 2.64 5.28 -0.72 2.95 0.01 -0.39 -1.42 113.70 122.05 1kzw s SER 83 Ca 0.26 0.09 -0.24 0.00 1.31 0.00 0.00 55.95 57.37 1kzw s SER 83 Cb -0.14 -1.66 0.06 0.00 0.21 0.00 0.00 66.02 64.49 1kzw s SER 83 CO 0.18 0.30 1.11 -0.22 0.41 0.00 0.00 173.24 175.01 1kzw s LEU 84 N -0.38 3.96 -1.20 2.44 2.96 -1.26 -0.86 118.68 124.34 1kzw s LEU 84 Ca 0.08 -0.90 -0.13 0.00 -0.22 0.00 0.00 54.13 52.96 1kzw s LEU 84 Cb -0.12 -2.47 0.19 0.00 0.50 0.00 0.00 46.19 44.28 1kzw s LEU 84 CO 0.02 -1.56 1.42 1.21 -1.32 0.00 0.00 176.35 176.12 1kzw n GLU 85 N 8.27 3.42 0.00 1.98 0.00 0.19 -4.93 120.64 129.56 1kzw n GLU 85 Ca 0.02 -3.93 0.00 0.00 0.00 0.00 0.00 57.16 53.25 1kzw n GLU 85 Cb 0.47 -2.96 0.00 0.00 0.00 0.00 0.00 31.44 28.95 1kzw n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kzw n GLY 86 N 3.80 0.67 0.01 8.31 0.00 -1.26 -1.85 105.19 114.86 1kzw n GLY 86 Ca 0.35 0.50 0.12 0.00 0.00 0.00 0.00 46.02 46.99 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 7.55 0.50 -4.82 1.61 4.13 -1.26 -4.97 115.26 118.00 1kzw n ASN 87 Ca 0.00 -0.20 -0.36 0.00 1.68 0.00 0.00 54.58 55.70 1kzw n ASN 87 Cb 0.00 0.23 -0.07 0.00 -1.54 0.00 0.00 39.78 38.41 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 -3.02 3.30 -0.67 3.52 1.02 -0.77 -4.70 119.74 118.42 1kzw s LYS 88 Ca 0.11 -0.22 -0.18 0.00 0.02 0.00 0.00 55.97 55.70 1kzw s LYS 88 Cb 0.17 -3.07 0.12 0.00 -0.52 0.00 0.00 37.83 34.54 1kzw s LYS 88 CO 0.70 0.76 0.77 -0.51 -0.92 0.00 0.00 175.35 176.14 1kzw s LEU 89 N -1.01 5.55 -0.30 3.17 1.43 -0.50 -0.64 118.68 126.37 1kzw s LEU 89 Ca 0.15 -1.70 -0.20 0.00 -1.03 0.00 0.00 54.13 51.34 1kzw s LEU 89 Cb -0.12 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1kzw s LEU 89 CO 0.04 -1.03 0.64 -0.51 0.23 0.00 0.00 176.35 175.72 1kzw s ILE 90 N 2.32 4.93 -0.83 -0.59 2.07 -0.04 -1.35 121.20 127.72 1kzw s ILE 90 Ca 0.15 0.88 -0.20 0.00 -1.41 0.00 0.00 60.65 60.07 1kzw s ILE 90 Cb -0.20 -4.01 0.11 0.00 0.13 0.00 0.00 42.46 38.50 1kzw s ILE 90 CO 0.02 -0.15 1.04 -0.83 -1.91 0.00 0.00 174.94 173.12 1kzw s GLY 91 N 1.64 1.78 -0.98 1.50 0.00 0.81 -1.26 107.32 110.80 1kzw s GLY 91 Ca 0.26 -2.48 -0.17 0.00 0.00 0.00 0.00 44.72 42.32 1kzw s GLY 91 CO 0.12 1.98 1.17 0.54 0.00 0.00 0.00 173.10 176.91 1kzw s LYS 92 N 3.02 3.71 0.06 2.90 1.02 -0.18 -1.12 119.74 129.15 1kzw s LYS 92 Ca 0.28 -1.98 0.08 0.00 0.02 0.00 0.00 55.97 54.36 1kzw s LYS 92 Cb -0.10 -4.92 -0.03 0.00 -0.52 0.00 0.00 37.83 32.26 1kzw s LYS 92 CO -0.03 -1.74 -0.20 -0.06 -0.92 0.00 0.00 175.35 172.40 1kzw s PHE 93 N 2.28 2.49 -0.07 3.18 0.08 -1.19 -1.77 117.98 122.98 1kzw s PHE 93 Ca 0.34 -0.30 0.03 0.00 0.12 0.00 0.00 56.93 57.13 1kzw s PHE 93 Cb -0.05 -1.42 0.00 0.00 -0.57 0.00 0.00 43.02 40.99 1kzw s PHE 93 CO -0.07 0.25 -0.18 0.21 -0.10 0.00 0.00 175.22 175.33 1kzw s LYS 94 N -1.54 2.26 -0.12 0.44 2.36 -0.26 -0.33 119.74 122.55 1kzw s LYS 94 Ca 0.14 -0.64 -0.30 0.00 -2.55 0.00 0.00 55.97 52.63 1kzw s LYS 94 Cb -0.10 -1.80 -0.02 0.00 -1.05 0.00 0.00 37.83 34.86 1kzw s LYS 94 CO 0.05 0.13 1.19 0.50 1.55 0.00 0.00 175.35 178.77 1kzw s ARG 95 N 0.41 4.30 0.12 4.03 3.52 -0.07 -0.93 118.95 130.34 1kzw s ARG 95 Ca -0.14 1.61 -0.24 0.00 -0.13 0.00 0.00 55.73 56.83 1kzw s ARG 95 Cb -0.16 -3.64 -0.05 0.00 -1.56 0.00 0.00 34.95 29.54 1kzw s ARG 95 CO 0.05 -0.55 1.67 1.79 -0.81 0.00 0.00 175.30 177.45 1kzw h THR 96 N 5.24 0.58 -1.26 4.11 1.35 -1.80 -1.51 112.91 119.63 1kzw h THR 96 Ca -0.29 0.00 -0.75 0.00 -0.55 0.00 0.00 66.41 64.82 1kzw h THR 96 Cb 1.13 0.58 -0.14 0.00 -1.73 0.00 0.00 68.15 67.99 1kzw h THR 96 CO 0.92 0.00 2.24 -0.67 -0.25 0.00 0.00 175.52 177.76 1kzw n ASP 97 N -5.30 6.51 0.00 5.36 -0.08 -1.26 -4.42 116.55 117.35 1kzw n ASP 97 Ca -0.04 -3.12 0.00 0.00 -1.51 0.00 0.00 54.79 50.12 1kzw n ASP 97 Cb 0.22 -1.43 0.00 0.00 2.34 0.00 0.00 41.12 42.25 1kzw n ASP 97 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1kzw n ASN 98 N 2.87 0.00 0.00 1.67 4.05 -1.07 -4.99 115.26 117.79 1kzw n ASN 98 Ca 0.51 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.54 1kzw n ASN 98 Cb 0.31 0.10 0.00 0.00 1.23 0.00 0.00 39.78 41.42 1kzw n ASN 98 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1kzw n GLY 99 N -1.05 3.36 3.80 8.20 0.00 -0.59 -5.05 105.19 113.86 1kzw n GLY 99 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.82 6.88 0.06 1.61 0.01 -1.26 -4.71 114.94 116.71 1kzw s ASN 100 Ca 0.00 1.85 -0.29 0.00 -0.71 0.00 0.00 52.86 53.71 1kzw s ASN 100 Cb 0.00 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.05 1kzw s ASN 100 CO 0.00 -0.40 0.92 -1.83 -1.51 0.00 0.00 177.10 174.27 1kzw s GLU 101 N -2.78 4.62 -0.37 -0.60 -1.05 -1.26 -0.89 118.70 116.36 1kzw s GLU 101 Ca 0.59 1.34 0.01 0.00 -0.15 0.00 0.00 54.97 56.77 1kzw s GLU 101 Cb -0.15 -3.40 0.10 0.00 -0.44 0.00 0.00 34.13 30.24 1kzw s GLU 101 CO 0.20 0.16 0.11 -1.17 0.95 0.00 0.00 175.26 175.51 1kzw s LEU 102 N 0.26 4.97 -0.44 1.83 0.20 0.55 -3.43 118.68 122.62 1kzw s LEU 102 Ca 0.46 -2.10 -0.22 0.00 0.69 0.00 0.00 54.13 52.97 1kzw s LEU 102 Cb -0.22 -1.71 0.02 0.00 -0.43 0.00 0.00 46.19 43.85 1kzw s LEU 102 CO 0.28 -0.45 0.69 0.20 -0.29 0.00 0.00 176.35 176.78 1kzw s ASN 103 N 1.30 6.36 -0.48 3.68 0.01 -0.39 -3.17 114.94 122.24 1kzw s ASN 103 Ca 0.10 -0.24 -0.06 0.00 -0.71 0.00 0.00 52.86 51.94 1kzw s ASN 103 Cb -0.21 -2.34 0.13 0.00 0.41 0.00 0.00 41.25 39.24 1kzw s ASN 103 CO -0.06 -0.82 0.32 -0.89 -1.51 0.00 0.00 177.10 174.14 1kzw s THR 104 N 2.97 3.82 -0.75 1.60 2.01 -0.27 -0.80 115.64 124.22 1kzw s THR 104 Ca 0.25 -2.11 -0.18 0.00 0.31 0.00 0.00 61.69 59.96 1kzw s THR 104 Cb -0.13 -3.54 0.13 0.00 0.01 0.00 0.00 72.50 68.97 1kzw s THR 104 CO 0.20 -0.77 0.87 -0.69 -0.69 0.00 0.00 174.62 173.54 1kzw s VAL 105 N 1.00 4.92 -0.08 3.82 1.01 -0.33 -0.13 120.40 130.61 1kzw s VAL 105 Ca 0.09 -1.43 -0.27 0.00 0.00 0.00 0.00 61.98 60.38 1kzw s VAL 105 Cb -0.23 -4.59 -0.03 0.00 0.00 0.00 0.00 36.38 31.53 1kzw s VAL 105 CO -0.03 -1.25 0.86 -0.13 0.00 0.00 0.00 175.10 174.55 1kzw s ARG 106 N 2.28 4.44 -0.03 2.72 0.52 -0.45 -1.89 118.95 126.53 1kzw s ARG 106 Ca 0.20 1.14 -0.03 0.00 -0.52 0.00 0.00 55.73 56.52 1kzw s ARG 106 Cb -0.15 -3.49 0.01 0.00 0.52 0.00 0.00 34.95 31.83 1kzw s ARG 106 CO -0.01 -0.12 0.08 -2.00 0.02 0.00 0.00 175.30 173.27 1kzw s GLU 107 N 1.36 0.13 -0.26 3.54 2.56 -0.78 -1.42 118.70 123.83 1kzw s GLU 107 Ca 0.44 0.07 -0.23 0.00 0.00 0.00 0.00 54.97 55.25 1kzw s GLU 107 Cb -0.18 0.06 -0.01 0.00 2.00 0.00 0.00 34.13 35.99 1kzw s GLU 107 CO 0.20 -0.02 0.74 0.42 -0.56 0.00 0.00 175.26 176.04 1kzw s ILE 108 N -0.08 4.89 -0.65 -3.70 -1.09 -1.26 -0.76 121.20 118.55 1kzw s ILE 108 Ca -0.01 1.33 -0.02 0.00 -2.23 0.00 0.00 60.65 59.72 1kzw s ILE 108 Cb -0.01 -4.05 0.17 0.00 -1.58 0.00 0.00 42.46 36.99 1kzw s ILE 108 CO 0.00 -0.06 0.46 -0.63 -1.23 0.00 0.00 174.94 173.48 1kzw s ILE 109 N 2.72 3.63 0.00 2.92 1.01 0.34 -4.98 121.20 126.83 1kzw s ILE 109 Ca 0.31 -3.17 0.00 0.00 0.00 0.00 0.00 60.65 57.79 1kzw s ILE 109 Cb -0.15 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.95 1kzw s ILE 109 CO 0.08 -0.90 0.00 0.61 0.00 0.00 0.00 174.94 174.74 1kzw n GLY 110 N 3.24 1.32 0.92 6.18 0.00 -1.26 -2.59 105.19 113.00 1kzw n GLY 110 Ca 0.10 0.22 0.05 0.00 0.00 0.00 0.00 46.02 46.39 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 10.55 2.62 -3.77 1.61 5.68 -1.26 -4.94 116.55 127.05 1kzw n ASP 111 Ca 0.00 -2.19 -0.17 0.00 -0.50 0.00 0.00 54.79 51.93 1kzw n ASP 111 Cb 0.00 -0.39 -0.16 0.00 -1.14 0.00 0.00 41.12 39.43 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 -1.65 0.11 -0.57 0.11 2.02 -1.07 -1.44 118.70 116.21 1kzw s GLU 112 Ca 0.27 0.18 -0.28 0.00 0.02 0.00 0.00 54.97 55.16 1kzw s GLU 112 Cb 0.17 -0.42 0.03 0.00 0.10 0.00 0.00 34.13 34.01 1kzw s GLU 112 CO 0.14 -0.19 1.26 -1.17 0.02 0.00 0.00 175.26 175.32 1kzw s LEU 113 N 1.30 3.44 -0.42 1.80 2.96 0.54 -0.51 118.68 127.79 1kzw s LEU 113 Ca -0.06 0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 53.83 1kzw s LEU 113 Cb -0.13 -3.14 0.02 0.00 0.50 0.00 0.00 46.19 43.44 1kzw s LEU 113 CO -0.03 -1.54 0.46 -0.69 -1.32 0.00 0.00 176.35 173.23 1kzw s VAL 114 N 5.26 5.05 -0.19 1.68 1.01 0.06 -0.68 120.40 132.59 1kzw s VAL 114 Ca 0.46 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1kzw s VAL 114 Cb -0.08 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1kzw s VAL 114 CO 0.25 -0.44 -0.09 0.00 0.00 0.00 0.00 175.10 174.82 1kzw s GLN 115 N 2.23 3.34 -0.40 2.72 -2.07 -0.42 -1.86 119.66 123.20 1kzw s GLN 115 Ca 0.13 -0.67 -0.17 0.00 -1.82 0.00 0.00 55.36 52.84 1kzw s GLN 115 Cb -0.17 -2.84 0.01 0.00 -1.09 0.00 0.00 33.01 28.93 1kzw s GLN 115 CO 0.14 -0.06 0.42 0.99 -1.32 0.00 0.00 175.29 175.46 1kzw s THR 116 N 1.08 5.11 -0.18 3.63 2.01 -0.80 -0.98 115.64 125.52 1kzw s THR 116 Ca 0.00 -0.24 -0.26 0.00 0.31 0.00 0.00 61.69 61.50 1kzw s THR 116 Cb -0.15 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 1kzw s THR 116 CO -0.02 -0.34 0.86 -0.31 -0.69 0.00 0.00 174.62 174.13 1kzw s TYR 117 N 2.11 3.41 -0.31 4.92 2.02 0.12 -1.18 117.35 128.44 1kzw s TYR 117 Ca 0.12 1.29 0.01 0.00 -0.37 0.00 0.00 57.07 58.12 1kzw s TYR 117 Cb -0.17 -3.05 0.07 0.00 -0.40 0.00 0.00 41.96 38.41 1kzw s TYR 117 CO 0.13 -0.27 0.01 0.08 -1.57 0.00 0.00 175.55 173.92 1kzw s VAL 118 N 2.29 2.60 -0.43 0.71 1.01 0.02 -0.59 120.40 126.01 1kzw s VAL 118 Ca 0.39 -1.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.51 1kzw s VAL 118 Cb -0.16 -2.65 0.10 0.00 0.00 0.00 0.00 36.38 33.67 1kzw s VAL 118 CO 0.12 -0.29 0.26 -0.47 0.00 0.00 0.00 175.10 174.72 1kzw s TYR 119 N 1.10 3.44 -1.26 5.22 5.04 -0.81 -1.26 117.35 128.83 1kzw s TYR 119 Ca -0.01 -1.94 -0.06 0.00 -2.44 0.00 0.00 57.07 52.62 1kzw s TYR 119 Cb -0.20 -3.18 -0.01 0.00 0.35 0.00 0.00 41.96 38.92 1kzw s TYR 119 CO -0.04 -0.94 0.69 0.39 -1.34 0.00 0.00 175.55 174.31 1kzw n GLU 120 N 4.80 -3.38 0.00 4.97 -0.58 -1.22 -1.96 120.64 123.26 1kzw n GLU 120 Ca -0.07 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1kzw n GLU 120 Cb 0.42 -4.82 0.00 0.00 -0.57 0.00 0.00 31.44 26.47 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 -1.65 2.43 3.60 0.62 0.00 -1.26 -5.02 105.19 103.91 1kzw n GLY 121 Ca -0.23 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1kzw n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kzw s VAL 122 N -0.56 4.07 -0.12 1.61 1.01 -0.83 -5.00 120.40 120.57 1kzw s VAL 122 Ca 0.00 1.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.90 1kzw s VAL 122 Cb 0.00 -4.47 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 1kzw s VAL 122 CO 0.00 -0.96 0.36 -0.70 0.00 0.00 0.00 175.10 173.80 1kzw s GLU 123 N 4.71 4.20 -0.14 2.72 -6.30 -1.26 -1.92 118.70 120.71 1kzw s GLU 123 Ca 0.52 0.25 -0.04 0.00 -2.50 0.00 0.00 54.97 53.21 1kzw s GLU 123 Cb -0.09 -3.39 0.05 0.00 0.00 0.00 0.00 34.13 30.70 1kzw s GLU 123 CO 0.32 0.31 0.07 0.00 0.02 0.00 0.00 175.26 175.97 1kzw s ALA 124 N 0.21 0.52 -0.42 6.30 0.00 0.24 -4.69 121.76 123.92 1kzw s ALA 124 Ca 0.21 -0.28 -0.18 0.00 0.00 0.00 0.00 51.96 51.70 1kzw s ALA 124 Cb -0.14 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.03 1kzw s ALA 124 CO 0.07 -1.00 0.50 0.15 0.00 0.00 0.00 175.76 175.48 1kzw s LYS 125 N 2.08 3.18 -0.31 0.00 1.02 -1.25 -0.70 119.74 123.75 1kzw s LYS 125 Ca 0.02 -0.62 -0.20 0.00 0.02 0.00 0.00 55.97 55.20 1kzw s LYS 125 Cb -0.15 -3.95 -0.01 0.00 -0.52 0.00 0.00 37.83 33.20 1kzw s LYS 125 CO -0.07 -0.88 0.60 1.03 -0.92 0.00 0.00 175.35 175.10 1kzw s ARG 126 N 2.34 3.85 -0.42 1.68 1.81 -0.15 -1.01 118.95 127.05 1kzw s ARG 126 Ca 0.15 0.21 -0.11 0.00 -1.72 0.00 0.00 55.73 54.26 1kzw s ARG 126 Cb -0.16 -3.74 0.06 0.00 -0.45 0.00 0.00 34.95 30.66 1kzw s ARG 126 CO 0.15 -0.58 0.27 0.42 -0.68 0.00 0.00 175.30 174.88 1kzw s ILE 127 N 2.56 4.50 -0.26 1.52 1.01 -1.25 -1.29 121.20 127.99 1kzw s ILE 127 Ca 0.24 -1.19 -0.10 0.00 0.00 0.00 0.00 60.65 59.60 1kzw s ILE 127 Cb -0.15 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1kzw s ILE 127 CO 0.12 -0.44 0.15 -0.36 0.00 0.00 0.00 174.94 174.41 1kzw s PHE 128 N 1.50 3.21 0.44 3.97 0.40 0.14 -1.07 117.98 126.58 1kzw s PHE 128 Ca 0.03 0.02 -0.15 0.00 -0.60 0.00 0.00 56.93 56.23 1kzw s PHE 128 Cb -0.22 -2.31 -0.08 0.00 0.51 0.00 0.00 43.02 40.92 1kzw s PHE 128 CO 0.04 -0.14 0.88 0.21 0.70 0.00 0.00 175.22 176.91 1kzw s LYS 129 N 1.52 3.94 -0.35 0.44 2.20 -0.01 -0.34 119.74 127.14 1kzw s LYS 129 Ca 0.07 0.79 -0.28 0.00 -0.36 0.00 0.00 55.97 56.19 1kzw s LYS 129 Cb -0.15 -2.26 -0.06 0.00 -1.51 0.00 0.00 37.83 33.84 1kzw s LYS 129 CO 0.08 -0.11 2.31 1.17 -0.36 0.00 0.00 175.35 178.44 1kzw n LYS 130 N -1.20 1.51 -0.35 4.03 3.00 -0.52 -1.38 118.16 123.25 1kzw n LYS 130 Ca 0.05 0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 1kzw n LYS 130 Cb 0.54 -3.28 0.00 0.00 0.00 0.00 0.00 35.03 32.29 1kzw n LYS 130 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93