#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 -1.86 -2.74 0.00 3.72 -1.26 -4.92 117.46 110.40 1kzw n PHE 2 Ca 0.00 0.47 -0.10 0.00 -0.05 0.00 0.00 57.45 57.78 1kzw n PHE 2 Cb 0.00 -3.76 0.05 0.00 -0.94 0.00 0.00 39.48 34.84 1kzw n PHE 2 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1kzw n ASP 3 N -2.39 0.22 -3.18 4.37 5.75 -1.26 -4.41 116.55 115.66 1kzw n ASP 3 Ca -0.07 -2.74 -0.08 0.00 -0.01 0.00 0.00 54.79 51.89 1kzw n ASP 3 Cb 0.59 0.04 0.01 0.00 -1.03 0.00 0.00 41.12 40.73 1kzw n ASP 3 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1kzw s SER 4 N -2.40 -0.05 -0.29 -1.12 1.04 -1.14 -4.98 113.70 104.75 1kzw s SER 4 Ca 0.27 -0.98 -0.29 0.00 0.48 0.00 0.00 55.95 55.43 1kzw s SER 4 Cb 0.42 0.79 0.01 0.00 0.10 0.00 0.00 66.02 67.34 1kzw s SER 4 CO -0.02 -1.54 1.15 -0.89 0.98 0.00 0.00 173.24 172.92 1kzw s THR 5 N -2.65 4.39 -0.32 2.02 2.01 -1.26 -1.17 115.64 118.65 1kzw s THR 5 Ca 0.15 1.61 -0.06 0.00 0.31 0.00 0.00 61.69 63.70 1kzw s THR 5 Cb -0.05 -4.30 0.03 0.00 0.01 0.00 0.00 72.50 68.19 1kzw s THR 5 CO 0.10 -0.43 0.09 0.26 -0.69 0.00 0.00 174.62 173.94 1kzw s TRP 6 N 3.81 3.22 -0.05 4.92 0.52 -0.75 -0.59 118.94 130.02 1kzw s TRP 6 Ca 0.49 -1.34 -0.13 0.00 0.02 0.00 0.00 56.10 55.14 1kzw s TRP 6 Cb -0.14 -2.25 -0.05 0.00 -1.15 0.00 0.00 33.47 29.87 1kzw s TRP 6 CO 0.17 -0.70 0.34 0.21 0.02 0.00 0.00 176.95 176.99 1kzw s LYS 7 N 1.42 3.86 0.08 4.98 2.47 -0.19 -0.60 119.74 131.75 1kzw s LYS 7 Ca -0.01 0.26 -0.31 0.00 -1.56 0.00 0.00 55.97 54.36 1kzw s LYS 7 Cb -0.19 -3.24 -0.10 0.00 -1.46 0.00 0.00 37.83 32.84 1kzw s LYS 7 CO 0.02 0.65 1.92 0.54 0.16 0.00 0.00 175.35 178.64 1kzw s VAL 8 N -0.85 2.75 -0.08 4.02 0.11 -0.63 -0.73 120.40 124.99 1kzw s VAL 8 Ca 0.21 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.18 1kzw s VAL 8 Cb -0.15 -3.00 -0.04 0.00 -1.53 0.00 0.00 36.38 31.66 1kzw s VAL 8 CO 0.10 -0.00 -0.17 -0.67 -3.33 0.00 0.00 175.10 171.03 1kzw n ASP 9 N 6.66 1.27 -3.64 3.54 2.03 -0.46 -4.85 116.55 121.10 1kzw n ASP 9 Ca 0.19 0.20 -0.02 0.00 0.52 0.00 0.00 54.79 55.68 1kzw n ASP 9 Cb 0.39 -0.47 -0.05 0.00 -0.72 0.00 0.00 41.12 40.27 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 -2.36 0.53 -0.19 -0.67 1.70 -0.89 -5.03 118.95 112.05 1kzw s ARG 10 Ca -0.16 1.37 -0.04 0.00 -0.47 0.00 0.00 55.73 56.43 1kzw s ARG 10 Cb 0.04 0.77 -0.02 0.00 -0.57 0.00 0.00 34.95 35.18 1kzw s ARG 10 CO 0.22 -0.22 -0.03 -1.54 -1.08 0.00 0.00 175.30 172.65 1kzw s SER 11 N 2.85 4.57 -0.09 -2.89 1.04 -1.26 -1.21 113.70 116.70 1kzw s SER 11 Ca -0.05 -0.26 -0.26 0.00 0.48 0.00 0.00 55.95 55.86 1kzw s SER 11 Cb -0.12 -1.77 -0.26 0.00 0.10 0.00 0.00 66.02 63.97 1kzw s SER 11 CO -0.18 0.07 0.88 -0.33 0.98 0.00 0.00 173.24 174.66 1kzw h GLU 12 N 7.46 0.10 -1.58 4.02 5.08 -1.36 -3.40 114.58 124.90 1kzw h GLU 12 Ca -0.35 -0.14 -0.46 0.00 -1.00 0.00 0.00 59.36 57.40 1kzw h GLU 12 Cb 1.18 0.05 -0.41 0.00 0.50 0.00 0.00 28.75 30.07 1kzw h GLU 12 CO 0.60 1.00 -1.07 -1.71 -1.00 0.00 0.00 179.01 176.83 1kzw n ASN 13 N -4.51 2.04 -3.24 1.42 5.15 -1.26 -4.93 115.26 109.93 1kzw n ASN 13 Ca -0.11 -3.07 -0.37 0.00 -0.60 0.00 0.00 54.58 50.43 1kzw n ASN 13 Cb 0.54 -0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 39.20 1kzw n ASN 13 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kzw n TYR 14 N -0.02 2.27 0.18 1.20 9.36 -1.26 -3.89 117.16 125.00 1kzw n TYR 14 Ca 0.21 -2.82 0.00 0.00 3.32 0.00 0.00 57.90 58.61 1kzw n TYR 14 Cb 0.69 -2.12 0.00 0.00 -0.63 0.00 0.00 39.34 37.27 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 2.65 -2.37 -0.01 2.98 8.00 -1.26 -4.72 116.55 121.83 1kzw n ASP 15 Ca 0.69 0.68 -0.11 0.00 0.71 0.00 0.00 54.79 56.75 1kzw n ASP 15 Cb 0.30 2.31 -0.06 0.00 -0.02 0.00 0.00 41.12 43.65 1kzw n ASP 15 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1kzw h LYS 16 N 0.00 0.13 -0.51 -1.24 3.11 -2.00 -0.79 116.57 115.28 1kzw h LYS 16 Ca 0.00 -0.02 0.10 0.00 -2.81 0.00 0.00 60.65 57.92 1kzw h LYS 16 Cb 0.00 -0.02 -0.10 0.00 -1.00 0.00 0.00 32.23 31.10 1kzw h LYS 16 CO 0.00 0.19 -0.27 0.35 -2.81 0.00 0.00 179.45 176.91 1kzw h PHE 17 N 0.04 -0.70 -0.31 1.91 3.57 -1.91 0.39 116.94 119.93 1kzw h PHE 17 Ca 0.03 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1kzw h PHE 17 Cb 0.10 0.38 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 1kzw h PHE 17 CO -0.04 -0.34 0.00 0.52 -2.23 0.00 0.00 178.31 176.22 1kzw h MET 18 N -0.15 0.09 -0.59 1.11 2.86 -1.81 -0.96 114.93 115.47 1kzw h MET 18 Ca 0.23 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.96 1kzw h MET 18 Cb 0.51 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.07 1kzw h MET 18 CO -0.60 0.06 0.17 1.49 1.06 0.00 0.00 176.91 179.09 1kzw h GLU 19 N 0.09 0.31 -0.62 1.72 4.22 -1.00 -1.84 114.58 117.46 1kzw h GLU 19 Ca 0.15 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.57 1kzw h GLU 19 Cb 0.20 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1kzw h GLU 19 CO -0.25 0.20 0.41 -0.22 -2.18 0.00 0.00 179.01 176.97 1kzw h LYS 20 N 0.32 0.82 0.36 1.92 1.63 -0.61 -3.31 116.57 117.70 1kzw h LYS 20 Ca 0.31 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.04 1kzw h LYS 20 Cb 0.42 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1kzw h LYS 20 CO -0.35 0.55 -0.17 0.52 -3.45 0.00 0.00 179.45 176.55 1kzw h MET 21 N 0.85 -0.46 0.00 1.90 2.86 -0.98 -3.50 114.93 115.60 1kzw h MET 21 Ca 0.23 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1kzw h MET 21 Cb -0.09 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1kzw h MET 21 CO -0.05 -0.25 0.00 0.41 1.06 0.00 0.00 176.91 178.08 1kzw n GLY 22 N 0.47 -0.54 3.48 8.32 0.00 -0.71 -5.09 105.19 111.12 1kzw n GLY 22 Ca -0.07 0.15 -0.26 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 0.00 2.62 0.50 1.61 -7.23 -1.17 -4.91 120.40 111.82 1kzw s VAL 23 Ca 0.00 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.00 1kzw s VAL 23 Cb 0.00 -2.29 -0.08 0.00 0.56 0.00 0.00 36.38 34.56 1kzw s VAL 23 CO 0.00 -0.17 0.99 0.20 -0.31 0.00 0.00 175.10 175.81 1kzw s ASN 24 N -2.89 6.60 0.33 4.85 0.01 -1.26 -4.86 114.94 117.72 1kzw s ASN 24 Ca 0.24 1.64 0.04 0.00 -0.71 0.00 0.00 52.86 54.06 1kzw s ASN 24 Cb -0.08 -2.52 0.65 0.00 0.41 0.00 0.00 41.25 39.72 1kzw s ASN 24 CO 0.12 -0.60 1.92 -0.29 -1.51 0.00 0.00 177.10 176.74 1kzw h ILE 25 N 1.12 1.01 0.29 0.60 2.10 -2.01 0.67 117.51 121.29 1kzw h ILE 25 Ca -0.47 -0.30 -0.01 0.00 1.08 0.00 0.00 64.86 65.16 1kzw h ILE 25 Cb 1.19 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.97 1kzw h ILE 25 CO 0.61 0.16 -0.19 0.58 -1.08 0.00 0.00 178.15 178.22 1kzw h VAL 26 N 0.87 0.59 -0.80 2.19 2.07 -2.01 -2.89 116.25 116.28 1kzw h VAL 26 Ca 0.38 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.01 1kzw h VAL 26 Cb 0.32 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 1kzw h VAL 26 CO -0.15 0.00 0.52 0.11 0.02 0.00 0.00 177.57 178.08 1kzw h LYS 27 N -0.48 0.63 0.05 1.57 1.79 -1.88 -1.75 116.57 116.51 1kzw h LYS 27 Ca -0.03 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1kzw h LYS 27 Cb 0.41 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1kzw h LYS 27 CO 0.02 0.42 -0.13 -0.09 -1.08 0.00 0.00 179.45 178.58 1kzw h ARG 28 N 0.65 -0.24 -0.38 3.15 2.43 -0.77 -0.69 114.38 118.53 1kzw h ARG 28 Ca 0.38 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.53 1kzw h ARG 28 Cb 0.59 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1kzw h ARG 28 CO -0.15 -0.16 0.09 1.57 -1.51 0.00 0.00 179.97 179.81 1kzw h LYS 29 N -0.25 0.60 0.78 0.20 2.10 -1.49 -3.00 116.57 115.52 1kzw h LYS 29 Ca 0.03 -0.15 -0.04 0.00 -2.00 0.00 0.00 60.65 58.49 1kzw h LYS 29 Cb 0.28 -0.08 0.01 0.00 -0.90 0.00 0.00 32.23 31.54 1kzw h LYS 29 CO -0.09 0.64 -0.38 -0.07 -2.00 0.00 0.00 179.45 177.55 1kzw h LEU 30 N 0.46 -0.89 -1.18 7.07 3.38 -1.26 -1.54 115.31 121.35 1kzw h LEU 30 Ca 0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1kzw h LEU 30 Cb 0.31 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1kzw h LEU 30 CO 0.00 -0.61 0.00 0.00 0.09 0.00 0.00 178.44 177.92 1kzw h ALA 31 N -0.91 1.00 0.16 1.53 0.00 -1.29 0.16 119.26 119.92 1kzw h ALA 31 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1kzw h ALA 31 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1kzw h ALA 31 CO 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.35 1kzw h ALA 32 N 2.14 -0.22 0.00 0.00 0.00 -1.47 -3.41 119.26 116.29 1kzw h ALA 32 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1kzw h ALA 32 Cb 0.26 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1kzw h ALA 32 CO 0.00 -0.45 -1.05 0.72 0.00 0.00 0.00 179.25 178.47 1kzw n HIS 33 N -5.03 0.69 -0.97 0.00 8.25 -0.59 -4.80 115.22 112.77 1kzw n HIS 33 Ca -0.09 0.20 -0.30 0.00 -0.26 0.00 0.00 57.72 57.28 1kzw n HIS 33 Cb 0.23 -0.78 -0.02 0.00 1.12 0.00 0.00 29.99 30.53 1kzw n HIS 33 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1kzw n ASP 34 N -2.43 5.22 -3.84 0.41 8.00 -0.00 -4.75 116.55 119.16 1kzw n ASP 34 Ca 0.00 -2.45 -0.25 0.00 0.71 0.00 0.00 54.79 52.80 1kzw n ASP 34 Cb 0.52 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 1kzw n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1kzw n ASN 35 N 4.71 -1.32 -4.52 -2.24 3.02 -1.26 -3.04 115.26 110.61 1kzw n ASN 35 Ca 0.52 -0.96 -0.43 0.00 -0.03 0.00 0.00 54.58 53.68 1kzw n ASN 35 Cb 0.21 -3.39 -0.06 0.00 -0.61 0.00 0.00 39.78 35.93 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 -6.80 4.47 -0.10 3.41 0.20 -1.26 -4.17 118.68 114.43 1kzw s LEU 36 Ca 0.08 -0.33 -0.10 0.00 0.69 0.00 0.00 54.13 54.46 1kzw s LEU 36 Cb -0.03 -2.76 -0.05 0.00 -0.43 0.00 0.00 46.19 42.93 1kzw s LEU 36 CO 0.86 -0.83 0.23 -1.59 -0.29 0.00 0.00 176.35 174.73 1kzw s LYS 37 N 2.95 3.72 -0.57 1.98 -2.85 -0.51 -1.60 119.74 122.86 1kzw s LYS 37 Ca 0.24 0.04 -0.12 0.00 -1.00 0.00 0.00 55.97 55.13 1kzw s LYS 37 Cb -0.14 -3.24 0.14 0.00 -2.06 0.00 0.00 37.83 32.53 1kzw s LYS 37 CO 0.19 0.66 0.48 -0.51 0.10 0.00 0.00 175.35 176.27 1kzw s LEU 38 N -0.77 6.01 -0.59 2.77 1.43 0.23 -1.84 118.68 125.92 1kzw s LEU 38 Ca 0.17 -2.10 -0.23 0.00 -1.03 0.00 0.00 54.13 50.95 1kzw s LEU 38 Cb -0.13 -2.10 0.06 0.00 0.03 0.00 0.00 46.19 44.05 1kzw s LEU 38 CO 0.06 -0.70 0.90 -0.89 0.23 0.00 0.00 176.35 175.95 1kzw s THR 39 N 1.10 4.44 -0.45 5.49 2.01 -0.97 -1.81 115.64 125.45 1kzw s THR 39 Ca 0.08 -0.10 -0.19 0.00 0.31 0.00 0.00 61.69 61.79 1kzw s THR 39 Cb -0.24 -4.56 0.03 0.00 0.01 0.00 0.00 72.50 67.74 1kzw s THR 39 CO -0.01 -1.20 0.58 -0.63 -0.69 0.00 0.00 174.62 172.66 1kzw s ILE 40 N 3.79 4.92 -0.36 1.82 1.01 -0.32 -1.43 121.20 130.63 1kzw s ILE 40 Ca 0.25 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 1kzw s ILE 40 Cb -0.15 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.15 1kzw s ILE 40 CO 0.14 -0.61 0.18 -0.89 0.00 0.00 0.00 174.94 173.76 1kzw s THR 41 N 2.56 4.45 0.07 2.92 2.01 -0.25 -2.90 115.64 124.50 1kzw s THR 41 Ca 0.17 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 61.13 1kzw s THR 41 Cb -0.17 -3.45 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 1kzw s THR 41 CO 0.15 -0.17 0.65 -1.58 -0.69 0.00 0.00 174.62 172.98 1kzw s GLN 42 N 1.54 4.36 -0.47 4.92 2.00 -1.26 -0.99 119.66 129.75 1kzw s GLN 42 Ca 0.02 0.88 0.04 0.00 -2.00 0.00 0.00 55.36 54.30 1kzw s GLN 42 Cb -0.19 -3.29 0.17 0.00 0.80 0.00 0.00 33.01 30.50 1kzw s GLN 42 CO 0.06 0.50 0.37 -2.00 -0.50 0.00 0.00 175.29 173.72 1kzw s GLU 43 N -0.73 1.22 1.92 1.67 2.12 -0.09 -5.01 118.70 119.79 1kzw s GLU 43 Ca 0.32 -2.34 0.00 0.00 0.36 0.00 0.00 54.97 53.31 1kzw s GLU 43 Cb -0.20 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.36 1kzw s GLU 43 CO 0.21 -1.36 0.00 0.41 -0.54 0.00 0.00 175.26 173.97 1kzw n GLY 44 N 2.70 1.45 0.60 -1.50 0.00 -1.26 -1.95 105.19 105.22 1kzw n GLY 44 Ca 0.27 0.26 0.07 0.00 0.00 0.00 0.00 46.02 46.62 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 4.76 3.14 -3.78 1.61 4.13 -1.26 -5.04 115.26 118.82 1kzw n ASN 45 Ca 0.00 -2.55 -0.25 0.00 1.68 0.00 0.00 54.58 53.45 1kzw n ASN 45 Cb 0.00 -0.36 -0.17 0.00 -1.54 0.00 0.00 39.78 37.71 1kzw n ASN 45 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1kzw s LYS 46 N -1.98 0.75 -0.18 3.52 2.20 -0.82 -1.57 119.74 121.66 1kzw s LYS 46 Ca 0.29 -0.15 -0.07 0.00 -0.36 0.00 0.00 55.97 55.69 1kzw s LYS 46 Cb 0.22 -1.50 -0.04 0.00 -1.51 0.00 0.00 37.83 35.00 1kzw s LYS 46 CO 0.09 -0.43 0.04 -0.06 -0.36 0.00 0.00 175.35 174.64 1kzw s PHE 47 N 1.89 3.20 -0.48 4.03 0.08 0.09 -0.91 117.98 125.88 1kzw s PHE 47 Ca 0.03 -0.02 -0.15 0.00 0.12 0.00 0.00 56.93 56.91 1kzw s PHE 47 Cb -0.14 -2.06 0.08 0.00 -0.57 0.00 0.00 43.02 40.33 1kzw s PHE 47 CO -0.07 0.10 0.39 0.99 -0.10 0.00 0.00 175.22 176.54 1kzw s THR 48 N 0.42 5.12 -0.42 0.64 2.01 -0.16 -1.08 115.64 122.16 1kzw s THR 48 Ca 0.02 -1.16 -0.14 0.00 0.31 0.00 0.00 61.69 60.72 1kzw s THR 48 Cb -0.13 -4.09 0.04 0.00 0.01 0.00 0.00 72.50 68.33 1kzw s THR 48 CO 0.01 -0.61 0.30 -0.69 -0.69 0.00 0.00 174.62 172.94 1kzw s VAL 49 N 1.61 5.03 -0.47 3.82 1.01 -0.18 -1.09 120.40 130.12 1kzw s VAL 49 Ca 0.04 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 1kzw s VAL 49 Cb -0.25 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.29 1kzw s VAL 49 CO 0.06 -0.38 1.13 -0.54 0.00 0.00 0.00 175.10 175.36 1kzw s LYS 50 N 1.62 3.73 -0.84 2.72 1.02 -0.51 -0.64 119.74 126.84 1kzw s LYS 50 Ca 0.04 0.57 -0.23 0.00 0.02 0.00 0.00 55.97 56.37 1kzw s LYS 50 Cb -0.21 -3.90 0.06 0.00 -0.52 0.00 0.00 37.83 33.27 1kzw s LYS 50 CO 0.08 -1.36 1.23 -2.00 -0.92 0.00 0.00 175.35 172.38 1kzw s GLU 51 N 4.40 3.37 -0.24 1.68 2.12 -0.36 -2.29 118.70 127.38 1kzw s GLU 51 Ca 0.47 -0.94 -0.01 0.00 0.36 0.00 0.00 54.97 54.86 1kzw s GLU 51 Cb -0.07 -4.69 0.03 0.00 0.26 0.00 0.00 34.13 29.66 1kzw s GLU 51 CO 0.31 -2.02 -0.08 0.45 -0.54 0.00 0.00 175.26 173.38 1kzw s SER 52 N 4.08 4.21 0.33 -1.70 0.15 -0.76 -2.69 113.70 117.31 1kzw s SER 52 Ca 0.35 -0.95 -0.12 0.00 0.70 0.00 0.00 55.95 55.93 1kzw s SER 52 Cb -0.07 -1.62 0.02 0.00 -1.71 0.00 0.00 66.02 62.64 1kzw s SER 52 CO 0.02 -0.13 0.61 -0.55 1.20 0.00 0.00 173.24 174.39 1kzw s SER 53 N 1.28 0.21 0.57 5.45 0.15 0.10 -1.42 113.70 120.05 1kzw s SER 53 Ca -0.01 -1.12 0.25 0.00 0.70 0.00 0.00 55.95 55.77 1kzw s SER 53 Cb -0.17 0.72 1.58 0.00 -1.71 0.00 0.00 66.02 66.44 1kzw s SER 53 CO -0.05 -1.40 2.14 0.00 1.20 0.00 0.00 173.24 175.13 1kzw h ALA 54 N 2.09 1.86 0.05 5.45 0.00 -1.80 -3.26 119.26 123.65 1kzw h ALA 54 Ca -0.28 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.35 1kzw h ALA 54 Cb 1.25 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1kzw h ALA 54 CO 0.36 -0.18 -1.48 0.74 0.00 0.00 0.00 179.25 178.70 1kzw h PHE 55 N 0.00 0.19 -3.85 0.00 -1.00 -1.90 -3.48 116.94 106.90 1kzw h PHE 55 Ca 0.06 -0.14 -0.29 0.00 2.81 0.00 0.00 57.97 60.41 1kzw h PHE 55 Cb 0.30 -0.01 -0.28 0.00 3.61 0.00 0.00 35.95 39.57 1kzw h PHE 55 CO 0.00 1.18 -0.74 1.03 -1.61 0.00 0.00 178.31 178.17 1kzw s ARG 56 N -2.63 0.28 -0.47 1.51 1.81 -1.23 -5.02 118.95 113.20 1kzw s ARG 56 Ca -0.06 -0.14 0.06 0.00 -1.72 0.00 0.00 55.73 53.87 1kzw s ARG 56 Cb 0.08 -0.26 0.20 0.00 -0.45 0.00 0.00 34.95 34.52 1kzw s ARG 56 CO 0.83 0.07 0.45 0.09 -0.68 0.00 0.00 175.30 176.07 1kzw n ASN 57 N 2.94 0.60 -3.96 0.23 3.02 -1.21 0.03 115.26 116.90 1kzw n ASN 57 Ca -0.13 -2.69 -0.14 0.00 -0.03 0.00 0.00 54.58 51.60 1kzw n ASN 57 Cb 0.59 -0.62 -0.13 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.77 0.31 -0.37 2.41 -5.25 -1.10 -5.01 121.20 111.42 1kzw s ILE 58 Ca 0.33 -0.38 -0.19 0.00 -0.99 0.00 0.00 60.65 59.42 1kzw s ILE 58 Cb 0.08 -0.30 0.01 0.00 2.95 0.00 0.00 42.46 45.19 1kzw s ILE 58 CO -0.15 -0.05 0.58 -1.83 -1.79 0.00 0.00 174.94 171.70 1kzw s GLU 59 N -0.46 3.55 -0.68 0.37 1.03 -1.26 -1.22 118.70 120.03 1kzw s GLU 59 Ca -0.02 -0.15 -0.21 0.00 0.03 0.00 0.00 54.97 54.62 1kzw s GLU 59 Cb -0.04 -3.84 0.09 0.00 -0.80 0.00 0.00 34.13 29.55 1kzw s GLU 59 CO -0.00 -0.76 0.89 0.08 -1.33 0.00 0.00 175.26 174.14 1kzw s VAL 60 N 2.58 4.59 -0.27 1.83 1.01 0.19 -4.89 120.40 125.43 1kzw s VAL 60 Ca 0.21 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1kzw s VAL 60 Cb -0.15 -4.63 -0.02 0.00 0.00 0.00 0.00 36.38 31.58 1kzw s VAL 60 CO 0.15 -1.34 0.55 -0.69 0.00 0.00 0.00 175.10 173.77 1kzw s VAL 61 N 3.29 5.03 -0.03 2.92 1.01 -1.26 -1.01 120.40 130.34 1kzw s VAL 61 Ca 0.20 0.90 0.01 0.00 0.00 0.00 0.00 61.98 63.08 1kzw s VAL 61 Cb -0.18 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1kzw s VAL 61 CO 0.05 0.03 -0.02 0.72 0.00 0.00 0.00 175.10 175.89 1kzw s PHE 62 N 2.39 0.46 -0.02 5.22 -0.12 -0.24 -5.01 117.98 120.66 1kzw s PHE 62 Ca 0.23 -0.07 -0.18 0.00 -0.05 0.00 0.00 56.93 56.86 1kzw s PHE 62 Cb -0.15 -0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 41.69 1kzw s PHE 62 CO 0.10 -0.15 0.50 -2.00 -0.05 0.00 0.00 175.22 173.62 1kzw s GLU 63 N 0.98 4.19 0.12 1.99 2.12 -1.26 -0.73 118.70 126.11 1kzw s GLU 63 Ca -0.10 0.56 -0.31 0.00 0.36 0.00 0.00 54.97 55.47 1kzw s GLU 63 Cb -0.14 -3.32 -0.10 0.00 0.26 0.00 0.00 34.13 30.83 1kzw s GLU 63 CO -0.01 0.45 1.83 -0.51 -0.54 0.00 0.00 175.26 176.48 1kzw s LEU 64 N -0.37 4.40 0.00 2.70 1.43 -0.61 -1.54 118.68 124.69 1kzw s LEU 64 Ca 0.27 2.76 0.00 0.00 -1.03 0.00 0.00 54.13 56.13 1kzw s LEU 64 Cb -0.17 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1kzw s LEU 64 CO 0.14 -1.01 0.00 0.61 0.23 0.00 0.00 176.35 176.33 1kzw n GLY 65 N 4.24 2.79 3.72 -3.19 0.00 -0.94 -5.02 105.19 106.78 1kzw n GLY 65 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 5.02 -0.13 1.61 1.01 -0.59 -4.93 120.40 120.40 1kzw s VAL 66 Ca 0.00 1.48 -0.29 0.00 0.00 0.00 0.00 61.98 63.17 1kzw s VAL 66 Cb 0.00 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1kzw s VAL 66 CO 0.00 0.26 1.29 0.28 0.00 0.00 0.00 175.10 176.92 1kzw s THR 67 N 0.75 4.19 0.13 3.92 -1.32 -1.26 -4.52 115.64 117.54 1kzw s THR 67 Ca 0.38 1.47 -0.04 0.00 -1.21 0.00 0.00 61.69 62.29 1kzw s THR 67 Cb -0.18 -3.95 -0.03 0.00 -1.51 0.00 0.00 72.50 66.83 1kzw s THR 67 CO 0.19 -0.10 0.12 0.72 -2.21 0.00 0.00 174.62 173.35 1kzw s PHE 68 N 3.22 0.67 -0.32 9.09 -0.71 -0.67 -4.89 117.98 124.37 1kzw s PHE 68 Ca 0.57 -1.05 -0.23 0.00 -1.04 0.00 0.00 56.93 55.18 1kzw s PHE 68 Cb -0.24 -0.33 0.00 0.00 -1.21 0.00 0.00 43.02 41.25 1kzw s PHE 68 CO 0.18 -0.57 0.76 -0.80 -1.34 0.00 0.00 175.22 173.45 1kzw s ASN 69 N -3.01 6.60 -0.04 1.98 -0.87 -1.26 -1.63 114.94 116.72 1kzw s ASN 69 Ca 0.20 0.53 -0.06 0.00 -1.57 0.00 0.00 52.86 51.96 1kzw s ASN 69 Cb 0.06 -2.39 -0.04 0.00 -0.02 0.00 0.00 41.25 38.86 1kzw s ASN 69 CO -0.00 -0.63 0.20 -0.47 -2.57 0.00 0.00 177.10 173.63 1kzw s TYR 70 N 2.94 3.58 -0.08 2.20 5.04 0.32 -4.91 117.35 126.45 1kzw s TYR 70 Ca 0.31 0.50 0.05 0.00 -2.44 0.00 0.00 57.07 55.49 1kzw s TYR 70 Cb -0.14 -1.93 -0.00 0.00 0.35 0.00 0.00 41.96 40.23 1kzw s TYR 70 CO 0.14 0.67 -0.24 -0.80 -1.34 0.00 0.00 175.55 173.98 1kzw s ASN 71 N -1.53 2.99 0.69 4.32 -0.87 -1.26 -0.42 114.94 118.85 1kzw s ASN 71 Ca 0.23 -0.52 -0.07 0.00 -1.57 0.00 0.00 52.86 50.93 1kzw s ASN 71 Cb -0.13 -1.10 0.05 0.00 -0.02 0.00 0.00 41.25 40.05 1kzw s ASN 71 CO 0.13 0.19 1.01 -0.76 -2.57 0.00 0.00 177.10 175.10 1kzw s LEU 72 N 0.11 2.89 0.32 0.60 1.43 -1.08 -5.00 118.68 117.97 1kzw s LEU 72 Ca -0.11 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1kzw s LEU 72 Cb -0.16 -3.31 0.55 0.00 0.03 0.00 0.00 46.19 43.30 1kzw s LEU 72 CO 0.06 -1.48 1.95 0.00 0.23 0.00 0.00 176.35 177.12 1kzw h ALA 73 N -0.55 1.44 -1.94 4.21 0.00 -1.94 -3.32 119.26 117.15 1kzw h ALA 73 Ca -0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1kzw h ALA 73 Cb 1.30 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1kzw h ALA 73 CO 0.61 0.47 0.00 -3.47 0.00 0.00 0.00 179.25 176.86 1kzw n ASP 74 N -4.39 0.00 0.00 0.00 2.03 -1.26 -4.81 116.55 108.12 1kzw n ASP 74 Ca 0.06 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.79 1kzw n ASP 74 Cb 0.09 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 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 0.88 -1.83 2.99 0.27 0.00 -1.25 -5.14 105.19 101.10 1kzw n GLY 75 Ca 0.00 0.82 -0.31 0.00 0.00 0.00 0.00 46.02 46.53 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 1.85 -0.17 2.61 2.01 -1.26 -5.01 115.64 115.67 1kzw s THR 76 Ca 0.00 -1.61 -0.15 0.00 0.31 0.00 0.00 61.69 60.24 1kzw s THR 76 Cb 0.00 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1kzw s THR 76 CO 0.00 -0.22 0.34 -0.70 -0.69 0.00 0.00 174.62 173.34 1kzw s GLU 77 N 1.21 4.25 -0.13 4.92 2.12 -1.26 -2.62 118.70 127.19 1kzw s GLU 77 Ca -0.02 0.16 -0.01 0.00 0.36 0.00 0.00 54.97 55.45 1kzw s GLU 77 Cb -0.19 -3.45 0.04 0.00 0.26 0.00 0.00 34.13 30.78 1kzw s GLU 77 CO -0.08 0.16 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.28 1kzw s LEU 78 N 0.69 1.10 -0.28 2.70 1.43 0.44 -1.81 118.68 122.94 1kzw s LEU 78 Ca 0.18 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 1kzw s LEU 78 Cb -0.14 -0.66 -0.02 0.00 0.03 0.00 0.00 46.19 45.40 1kzw s LEU 78 CO 0.06 -0.21 0.52 -0.13 0.23 0.00 0.00 176.35 176.82 1kzw s ARG 79 N 1.82 3.96 0.06 1.70 0.52 0.06 -0.52 118.95 126.55 1kzw s ARG 79 Ca 0.02 0.22 -0.20 0.00 -0.52 0.00 0.00 55.73 55.25 1kzw s ARG 79 Cb -0.14 -3.69 0.07 0.00 0.52 0.00 0.00 34.95 31.70 1kzw s ARG 79 CO -0.07 -0.43 0.93 0.41 0.02 0.00 0.00 175.30 176.15 1kzw n GLY 80 N 4.49 0.52 3.10 -3.53 0.00 -0.64 -0.97 105.19 108.15 1kzw n GLY 80 Ca -0.04 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.10 1.40 -0.23 2.61 -4.23 -1.05 -1.67 115.64 110.37 1kzw s THR 81 Ca 0.21 -0.66 -0.18 0.00 -1.18 0.00 0.00 61.69 59.89 1kzw s THR 81 Cb -0.01 -1.23 -0.03 0.00 1.34 0.00 0.00 72.50 72.56 1kzw s THR 81 CO 0.02 0.41 0.49 0.26 -0.54 0.00 0.00 174.62 175.26 1kzw s TRP 82 N 0.36 3.33 -0.24 3.99 0.52 -1.26 -1.19 118.94 124.45 1kzw s TRP 82 Ca -0.11 0.68 -0.05 0.00 0.02 0.00 0.00 56.10 56.63 1kzw s TRP 82 Cb -0.14 -2.66 -0.01 0.00 -1.15 0.00 0.00 33.47 29.51 1kzw s TRP 82 CO 0.04 -0.16 0.01 -1.12 0.02 0.00 0.00 176.95 175.75 1kzw s SER 83 N 1.30 4.71 -0.62 2.95 0.01 -0.36 -2.21 113.70 119.48 1kzw s SER 83 Ca 0.22 -0.42 -0.26 0.00 1.31 0.00 0.00 55.95 56.80 1kzw s SER 83 Cb -0.15 -1.82 0.04 0.00 0.21 0.00 0.00 66.02 64.30 1kzw s SER 83 CO 0.09 -0.06 1.11 -0.22 0.41 0.00 0.00 173.24 174.57 1kzw s LEU 84 N 1.52 3.69 -0.75 2.44 2.96 -1.26 -0.85 118.68 126.42 1kzw s LEU 84 Ca 0.05 -0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 53.59 1kzw s LEU 84 Cb -0.15 -2.84 0.20 0.00 0.50 0.00 0.00 46.19 43.89 1kzw s LEU 84 CO -0.00 -1.48 0.64 -1.61 -1.32 0.00 0.00 176.35 172.58 1kzw s GLU 85 N 4.73 3.19 2.90 1.98 0.41 0.39 -4.91 118.70 127.40 1kzw s GLU 85 Ca 0.35 -2.53 0.00 0.00 -0.41 0.00 0.00 54.97 52.38 1kzw s GLU 85 Cb -0.10 -4.14 0.00 0.00 -1.78 0.00 0.00 34.13 28.11 1kzw s GLU 85 CO 0.19 -1.24 0.00 0.41 -0.49 0.00 0.00 175.26 174.13 1kzw n GLY 86 N 3.71 1.57 2.51 -1.39 0.00 -1.26 -2.08 105.19 108.25 1kzw n GLY 86 Ca 0.12 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 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 6.07 3.54 -3.85 1.61 3.02 -1.26 -5.03 115.26 119.35 1kzw n ASN 87 Ca 0.00 -3.31 -0.29 0.00 -0.03 0.00 0.00 54.58 50.95 1kzw n ASN 87 Cb 0.00 -0.47 -0.16 0.00 -0.61 0.00 0.00 39.78 38.54 1kzw n ASN 87 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1kzw s LYS 88 N -3.43 1.23 -0.50 3.52 1.02 -0.88 -3.98 119.74 116.71 1kzw s LYS 88 Ca 0.41 -0.64 -0.26 0.00 0.02 0.00 0.00 55.97 55.50 1kzw s LYS 88 Cb 0.41 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 35.54 1kzw s LYS 88 CO -0.09 -0.55 0.97 -0.51 -0.92 0.00 0.00 175.35 174.25 1kzw s LEU 89 N 1.63 3.95 -0.47 3.17 1.43 0.53 -0.46 118.68 128.47 1kzw s LEU 89 Ca -0.02 0.00 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 1kzw s LEU 89 Cb -0.17 -3.11 0.08 0.00 0.03 0.00 0.00 46.19 43.02 1kzw s LEU 89 CO -0.07 -1.16 0.37 -0.63 0.23 0.00 0.00 176.35 175.08 1kzw s ILE 90 N 3.99 4.90 -0.59 -0.59 1.01 -0.03 -0.85 121.20 129.04 1kzw s ILE 90 Ca 0.37 -1.25 -0.20 0.00 0.00 0.00 0.00 60.65 59.57 1kzw s ILE 90 Cb -0.10 -3.98 0.09 0.00 0.01 0.00 0.00 42.46 38.48 1kzw s ILE 90 CO 0.25 -0.60 0.74 -0.83 0.00 0.00 0.00 174.94 174.49 1kzw s GLY 91 N 2.59 1.70 -0.73 6.18 0.00 0.77 -1.22 107.32 116.61 1kzw s GLY 91 Ca 0.04 -2.10 -0.19 0.00 0.00 0.00 0.00 44.72 42.47 1kzw s GLY 91 CO 0.05 1.65 0.89 0.54 0.00 0.00 0.00 173.10 176.22 1kzw s LYS 92 N 2.92 3.28 0.06 2.90 1.02 -0.33 -1.02 119.74 128.57 1kzw s LYS 92 Ca 0.14 -1.49 0.05 0.00 0.02 0.00 0.00 55.97 54.69 1kzw s LYS 92 Cb -0.22 -4.47 -0.04 0.00 -0.52 0.00 0.00 37.83 32.58 1kzw s LYS 92 CO 0.08 -1.64 -0.05 -0.06 -0.92 0.00 0.00 175.35 172.76 1kzw s PHE 93 N 2.66 2.88 -0.03 3.18 0.08 -0.69 -2.53 117.98 123.54 1kzw s PHE 93 Ca 0.20 -0.07 0.07 0.00 0.12 0.00 0.00 56.93 57.26 1kzw s PHE 93 Cb -0.15 -1.53 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 1kzw s PHE 93 CO 0.01 0.43 -0.24 0.15 -0.10 0.00 0.00 175.22 175.46 1kzw s LYS 94 N -1.94 2.23 -0.21 0.44 1.02 -0.14 -0.47 119.74 120.66 1kzw s LYS 94 Ca 0.21 -0.89 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 1kzw s LYS 94 Cb -0.11 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1kzw s LYS 94 CO 0.13 0.55 1.64 1.03 -0.92 0.00 0.00 175.35 177.78 1kzw s ARG 95 N -0.57 3.78 0.41 1.68 0.52 -0.92 -0.76 118.95 123.08 1kzw s ARG 95 Ca 0.09 1.70 0.29 0.00 -0.52 0.00 0.00 55.73 57.28 1kzw s ARG 95 Cb -0.11 -4.05 1.35 0.00 0.52 0.00 0.00 34.95 32.66 1kzw s ARG 95 CO -0.00 -1.31 1.87 0.00 0.02 0.00 0.00 175.30 175.88 1kzw h THR 96 N 6.16 0.00 0.00 0.02 1.03 -1.73 0.18 112.91 118.58 1kzw h THR 96 Ca -0.34 -0.21 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 1kzw h THR 96 Cb 1.16 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 1kzw h THR 96 CO 1.00 0.00 -0.67 0.47 -0.01 0.00 0.00 175.52 176.31 1kzw n ASP 97 N -2.57 0.63 0.00 0.00 8.00 -1.26 -4.81 116.55 116.53 1kzw n ASP 97 Ca 0.00 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1kzw n ASP 97 Cb 0.18 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1kzw n ASP 97 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1kzw n ASN 98 N -1.57 0.00 0.00 -2.24 2.85 -0.90 -5.08 115.26 108.32 1kzw n ASN 98 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 1kzw n ASN 98 Cb 0.35 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.37 1kzw n ASN 98 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1kzw n GLY 99 N 0.00 2.28 3.77 8.20 0.00 0.60 -4.96 105.19 115.09 1kzw n GLY 99 Ca 0.00 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 6.04 0.08 1.61 0.01 -1.26 -4.10 114.94 117.31 1kzw s ASN 100 Ca 0.00 2.23 -0.30 0.00 -0.71 0.00 0.00 52.86 54.07 1kzw s ASN 100 Cb 0.00 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.02 1kzw s ASN 100 CO 0.00 -1.00 1.06 -1.83 -1.51 0.00 0.00 177.10 173.82 1kzw s GLU 101 N -2.94 4.56 -0.23 -0.60 -1.05 -1.26 -2.17 118.70 115.01 1kzw s GLU 101 Ca 0.67 1.59 0.01 0.00 -0.15 0.00 0.00 54.97 57.09 1kzw s GLU 101 Cb -0.26 -3.37 0.05 0.00 -0.44 0.00 0.00 34.13 30.11 1kzw s GLU 101 CO 0.31 -0.03 -0.09 -1.17 0.95 0.00 0.00 175.26 175.23 1kzw s LEU 102 N 0.52 2.73 -0.35 1.83 0.20 0.38 -3.16 118.68 120.82 1kzw s LEU 102 Ca 0.52 -1.15 -0.12 0.00 0.69 0.00 0.00 54.13 54.07 1kzw s LEU 102 Cb -0.26 -1.30 -0.00 0.00 -0.43 0.00 0.00 46.19 44.20 1kzw s LEU 102 CO 0.30 -0.19 0.23 0.20 -0.29 0.00 0.00 176.35 176.60 1kzw s ASN 103 N 1.31 5.91 -0.37 3.68 0.01 -0.31 -1.70 114.94 123.46 1kzw s ASN 103 Ca -0.05 -0.62 -0.09 0.00 -0.71 0.00 0.00 52.86 51.39 1kzw s ASN 103 Cb -0.18 -2.10 0.05 0.00 0.41 0.00 0.00 41.25 39.43 1kzw s ASN 103 CO -0.07 -0.29 0.18 -0.89 -1.51 0.00 0.00 177.10 174.52 1kzw s THR 104 N 1.67 4.15 -0.63 1.60 2.01 -0.19 -0.62 115.64 123.63 1kzw s THR 104 Ca 0.05 -1.12 -0.17 0.00 0.31 0.00 0.00 61.69 60.76 1kzw s THR 104 Cb -0.18 -3.39 0.13 0.00 0.01 0.00 0.00 72.50 69.07 1kzw s THR 104 CO 0.09 -0.28 0.66 -0.69 -0.69 0.00 0.00 174.62 173.71 1kzw s VAL 105 N 1.46 5.08 -0.29 3.82 1.01 -0.38 -0.16 120.40 130.94 1kzw s VAL 105 Ca 0.01 -1.45 -0.23 0.00 0.00 0.00 0.00 61.98 60.31 1kzw s VAL 105 Cb -0.20 -4.45 -0.00 0.00 0.00 0.00 0.00 36.38 31.73 1kzw s VAL 105 CO 0.04 -1.04 0.77 -0.13 0.00 0.00 0.00 175.10 174.74 1kzw s ARG 106 N 1.89 4.01 -0.07 2.72 0.52 -0.03 -1.48 118.95 126.51 1kzw s ARG 106 Ca 0.11 0.62 -0.09 0.00 -0.52 0.00 0.00 55.73 55.84 1kzw s ARG 106 Cb -0.23 -3.71 0.02 0.00 0.52 0.00 0.00 34.95 31.55 1kzw s ARG 106 CO 0.02 -0.62 0.24 -1.83 0.02 0.00 0.00 175.30 173.13 1kzw s GLU 107 N 2.87 0.37 -0.44 3.54 -1.05 -0.62 -0.34 118.70 123.02 1kzw s GLU 107 Ca 0.32 0.16 -0.21 0.00 -0.15 0.00 0.00 54.97 55.09 1kzw s GLU 107 Cb -0.14 0.17 0.02 0.00 -0.44 0.00 0.00 34.13 33.74 1kzw s GLU 107 CO 0.11 -0.07 0.68 0.42 0.95 0.00 0.00 175.26 177.36 1kzw s ILE 108 N -0.29 4.77 -1.20 1.83 1.09 -1.26 -0.77 121.20 125.38 1kzw s ILE 108 Ca -0.04 0.20 -0.14 0.00 -1.10 0.00 0.00 60.65 59.57 1kzw s ILE 108 Cb -0.03 -4.24 0.17 0.00 -1.06 0.00 0.00 42.46 37.30 1kzw s ILE 108 CO 0.01 -0.63 1.41 -0.51 -0.10 0.00 0.00 174.94 175.12 1kzw s ILE 109 N 2.96 5.06 0.00 2.92 1.10 0.04 -4.89 121.20 128.39 1kzw s ILE 109 Ca 0.25 -2.65 0.00 0.00 -0.51 0.00 0.00 60.65 57.74 1kzw s ILE 109 Cb -0.14 -4.90 0.00 0.00 0.15 0.00 0.00 42.46 37.58 1kzw s ILE 109 CO 0.20 -1.60 0.00 0.61 -2.11 0.00 0.00 174.94 172.04 1kzw n GLY 110 N 4.08 1.73 0.37 1.50 0.00 -1.26 -3.32 105.19 108.29 1kzw n GLY 110 Ca 0.36 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.62 1kzw n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1kzw n ASP 111 N 5.06 2.56 -3.75 1.61 2.03 -1.26 -4.86 116.55 117.94 1kzw n ASP 111 Ca 0.00 -3.24 -0.20 0.00 0.52 0.00 0.00 54.79 51.87 1kzw n ASP 111 Cb 0.00 -0.48 -0.17 0.00 -0.72 0.00 0.00 41.12 39.75 1kzw n ASP 111 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1kzw s GLU 112 N -2.95 0.24 -0.46 -0.67 2.02 -1.21 -2.71 118.70 112.96 1kzw s GLU 112 Ca 0.36 0.19 -0.29 0.00 0.02 0.00 0.00 54.97 55.25 1kzw s GLU 112 Cb 0.31 -0.62 0.02 0.00 0.10 0.00 0.00 34.13 33.94 1kzw s GLU 112 CO 0.02 -0.25 1.22 -1.17 0.02 0.00 0.00 175.26 175.10 1kzw s LEU 113 N 1.69 3.62 -0.30 1.80 2.96 0.46 -0.78 118.68 128.13 1kzw s LEU 113 Ca -0.00 0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 54.32 1kzw s LEU 113 Cb -0.13 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1kzw s LEU 113 CO -0.03 -1.31 0.39 0.68 -1.32 0.00 0.00 176.35 174.75 1kzw s VAL 114 N 4.76 5.15 -0.45 1.68 -7.23 0.05 -0.42 120.40 123.95 1kzw s VAL 114 Ca 0.52 0.40 -0.12 0.00 -1.81 0.00 0.00 61.98 60.97 1kzw s VAL 114 Cb -0.09 -3.76 0.08 0.00 0.56 0.00 0.00 36.38 33.17 1kzw s VAL 114 CO 0.32 0.05 0.34 0.00 -0.31 0.00 0.00 175.10 175.49 1kzw s GLN 115 N 2.09 2.78 -0.47 4.82 -2.07 -0.53 -1.59 119.66 124.69 1kzw s GLN 115 Ca 0.14 -1.45 -0.21 0.00 -1.82 0.00 0.00 55.36 52.03 1kzw s GLN 115 Cb -0.16 -3.97 0.03 0.00 -1.09 0.00 0.00 33.01 27.83 1kzw s GLN 115 CO 0.11 -1.02 0.68 0.99 -1.32 0.00 0.00 175.29 174.73 1kzw s THR 116 N 1.52 4.78 -0.40 3.63 2.01 -0.55 -1.90 115.64 124.73 1kzw s THR 116 Ca 0.04 -0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.85 1kzw s THR 116 Cb -0.24 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.00 1kzw s THR 116 CO 0.04 -0.72 0.52 -0.31 -0.69 0.00 0.00 174.62 173.46 1kzw s TYR 117 N 2.94 3.14 -0.56 4.92 2.02 0.13 -1.25 117.35 128.69 1kzw s TYR 117 Ca 0.22 -0.05 -0.11 0.00 -0.37 0.00 0.00 57.07 56.76 1kzw s TYR 117 Cb -0.15 -3.03 0.14 0.00 -0.40 0.00 0.00 41.96 38.52 1kzw s TYR 117 CO 0.17 -0.68 0.45 0.08 -1.57 0.00 0.00 175.55 174.01 1kzw s VAL 118 N 2.43 4.58 -0.30 0.71 1.01 0.21 -0.77 120.40 128.27 1kzw s VAL 118 Ca 0.18 -1.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.13 1kzw s VAL 118 Cb -0.16 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1kzw s VAL 118 CO 0.15 -0.85 0.07 -0.47 0.00 0.00 0.00 175.10 174.00 1kzw s TYR 119 N 1.06 3.18 -1.37 5.22 5.04 -0.94 -1.17 117.35 128.37 1kzw s TYR 119 Ca 0.08 -1.20 -0.05 0.00 -2.44 0.00 0.00 57.07 53.46 1kzw s TYR 119 Cb -0.24 -2.24 0.03 0.00 0.35 0.00 0.00 41.96 39.86 1kzw s TYR 119 CO -0.02 -0.65 0.85 0.39 -1.34 0.00 0.00 175.55 174.79 1kzw n GLU 120 N 4.82 -5.52 0.00 4.97 1.02 -1.19 -1.63 120.64 123.12 1kzw n GLU 120 Ca -0.14 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 1kzw n GLU 120 Cb 0.47 -5.39 0.00 0.00 -0.02 0.00 0.00 31.44 26.49 1kzw n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kzw n GLY 121 N -1.61 2.81 3.57 0.62 0.00 -1.26 -5.03 105.19 104.29 1kzw n GLY 121 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.86 4.33 -0.26 1.61 1.01 -0.64 -5.02 120.40 120.57 1kzw s VAL 122 Ca 0.00 0.77 -0.23 0.00 0.00 0.00 0.00 61.98 62.52 1kzw s VAL 122 Cb 0.00 -4.53 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 1kzw s VAL 122 CO 0.00 -1.00 0.77 -0.70 0.00 0.00 0.00 175.10 174.17 1kzw s GLU 123 N 4.11 4.12 -0.17 2.72 2.12 -1.26 -2.21 118.70 128.13 1kzw s GLU 123 Ca 0.39 0.78 0.00 0.00 0.36 0.00 0.00 54.97 56.50 1kzw s GLU 123 Cb -0.10 -3.66 0.03 0.00 0.26 0.00 0.00 34.13 30.67 1kzw s GLU 123 CO 0.26 -0.52 -0.11 0.00 -0.54 0.00 0.00 175.26 174.34 1kzw s ALA 124 N 2.78 1.88 -0.38 6.30 0.00 0.05 -4.65 121.76 127.74 1kzw s ALA 124 Ca 0.32 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 1kzw s ALA 124 Cb -0.15 -1.16 0.04 0.00 0.00 0.00 0.00 23.12 21.85 1kzw s ALA 124 CO 0.09 -0.63 0.19 0.15 0.00 0.00 0.00 175.76 175.56 1kzw s LYS 125 N 1.46 2.70 -0.33 0.00 1.02 -1.26 -0.69 119.74 122.64 1kzw s LYS 125 Ca 0.02 -1.21 -0.15 0.00 0.02 0.00 0.00 55.97 54.65 1kzw s LYS 125 Cb -0.15 -3.67 -0.02 0.00 -0.52 0.00 0.00 37.83 33.48 1kzw s LYS 125 CO -0.09 -0.76 0.34 1.03 -0.92 0.00 0.00 175.35 174.95 1kzw s ARG 126 N 1.48 3.62 -0.28 1.68 0.52 -0.80 -0.83 118.95 124.34 1kzw s ARG 126 Ca 0.01 -0.39 -0.20 0.00 -0.52 0.00 0.00 55.73 54.63 1kzw s ARG 126 Cb -0.20 -3.78 -0.02 0.00 0.52 0.00 0.00 34.95 31.47 1kzw s ARG 126 CO 0.04 -0.47 0.61 0.42 0.02 0.00 0.00 175.30 175.92 1kzw s ILE 127 N 1.98 4.98 -0.19 1.52 1.01 -0.35 -1.45 121.20 128.71 1kzw s ILE 127 Ca 0.11 0.96 -0.03 0.00 0.00 0.00 0.00 60.65 61.69 1kzw s ILE 127 Cb -0.17 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 1kzw s ILE 127 CO 0.11 -0.04 -0.06 -0.36 0.00 0.00 0.00 174.94 174.60 1kzw s PHE 128 N 2.51 2.95 0.33 3.97 0.40 0.44 -1.35 117.98 127.23 1kzw s PHE 128 Ca 0.25 -0.74 -0.18 0.00 -0.60 0.00 0.00 56.93 55.65 1kzw s PHE 128 Cb -0.15 -2.03 -0.09 0.00 0.51 0.00 0.00 43.02 41.25 1kzw s PHE 128 CO 0.10 -0.38 0.80 0.21 0.70 0.00 0.00 175.22 176.65 1kzw s LYS 129 N 1.05 4.16 -0.15 0.44 2.47 0.09 -0.40 119.74 127.41 1kzw s LYS 129 Ca 0.01 0.87 -0.29 0.00 -1.56 0.00 0.00 55.97 55.00 1kzw s LYS 129 Cb -0.15 -2.50 -0.07 0.00 -1.46 0.00 0.00 37.83 33.66 1kzw s LYS 129 CO -0.00 0.17 2.14 1.17 0.16 0.00 0.00 175.35 178.99 1kzw n LYS 130 N -0.12 2.19 -0.52 4.03 3.00 -1.10 -1.02 118.16 124.62 1kzw n LYS 130 Ca 0.03 0.68 0.00 0.00 -0.00 0.00 0.00 58.31 59.02 1kzw n LYS 130 Cb 0.53 -3.11 0.00 0.00 0.00 0.00 0.00 35.03 32.45 1kzw n LYS 130 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93