#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 -1.56 0.00 3.72 -1.26 -4.91 117.46 113.44 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 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 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 1.58 3.17 -2.27 4.37 5.68 -1.26 -4.68 116.55 123.14 1kzw n ASP 3 Ca 0.00 -2.75 -0.08 0.00 -0.50 0.00 0.00 54.79 51.46 1kzw n ASP 3 Cb 0.00 -1.40 -0.01 0.00 -1.14 0.00 0.00 41.12 38.57 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 8.20 -1.08 -4.70 -1.12 3.41 -1.21 -4.88 113.62 112.24 1kzw n SER 4 Ca 0.50 -2.18 -0.39 0.00 -0.26 0.00 0.00 58.87 56.53 1kzw n SER 4 Cb 0.41 1.93 -0.06 0.00 -0.26 0.00 0.00 64.21 66.24 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 -2.60 5.09 -0.15 6.66 2.01 -1.26 -1.31 115.64 124.08 1kzw s THR 5 Ca 0.16 1.18 -0.01 0.00 0.31 0.00 0.00 61.69 63.34 1kzw s THR 5 Cb -0.01 -3.93 0.04 0.00 0.01 0.00 0.00 72.50 68.61 1kzw s THR 5 CO 0.12 0.23 -0.05 0.26 -0.69 0.00 0.00 174.62 174.49 1kzw s TRP 6 N 1.13 1.54 -0.15 4.92 0.52 -0.33 -0.66 118.94 125.91 1kzw s TRP 6 Ca 0.30 -0.93 -0.09 0.00 0.02 0.00 0.00 56.10 55.40 1kzw s TRP 6 Cb -0.16 -1.24 -0.04 0.00 -1.15 0.00 0.00 33.47 30.87 1kzw s TRP 6 CO 0.13 -0.57 0.15 0.21 0.02 0.00 0.00 176.95 176.88 1kzw s LYS 7 N 1.69 3.77 -0.13 4.98 2.47 -0.38 -0.48 119.74 131.66 1kzw s LYS 7 Ca 0.02 -0.14 -0.29 0.00 -1.56 0.00 0.00 55.97 54.00 1kzw s LYS 7 Cb -0.15 -3.29 -0.05 0.00 -1.46 0.00 0.00 37.83 32.89 1kzw s LYS 7 CO -0.08 0.57 1.77 0.54 0.16 0.00 0.00 175.35 178.31 1kzw s VAL 8 N -0.44 3.46 -0.25 4.02 0.11 -0.66 -0.53 120.40 126.11 1kzw s VAL 8 Ca 0.13 0.53 -0.17 0.00 -2.93 0.00 0.00 61.98 59.53 1kzw s VAL 8 Cb -0.12 -3.43 -0.14 0.00 -1.53 0.00 0.00 36.38 31.16 1kzw s VAL 8 CO 0.02 -0.14 -0.14 -0.67 -3.33 0.00 0.00 175.10 170.83 1kzw n ASP 9 N 8.40 1.92 -3.53 3.54 2.03 -0.58 -4.89 116.55 123.44 1kzw n ASP 9 Ca 0.20 0.38 -0.19 0.00 0.52 0.00 0.00 54.79 55.70 1kzw n ASP 9 Cb 0.44 -0.87 -0.14 0.00 -0.72 0.00 0.00 41.12 39.83 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 -2.47 0.15 -0.56 -0.67 1.70 -0.79 -5.02 118.95 111.30 1kzw s ARG 10 Ca -0.34 0.21 -0.18 0.00 -0.47 0.00 0.00 55.73 54.94 1kzw s ARG 10 Cb 0.11 -1.19 0.10 0.00 -0.57 0.00 0.00 34.95 33.40 1kzw s ARG 10 CO 0.52 -0.61 0.62 -1.12 -1.08 0.00 0.00 175.30 173.63 1kzw s SER 11 N 2.30 6.19 -0.26 -2.89 0.01 -1.26 -1.49 113.70 116.30 1kzw s SER 11 Ca 0.06 -1.41 -0.17 0.00 1.31 0.00 0.00 55.95 55.73 1kzw s SER 11 Cb -0.15 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 1kzw s SER 11 CO -0.11 -0.99 0.46 -1.61 0.41 0.00 0.00 173.24 171.41 1kzw s GLU 12 N 2.37 4.06 -1.60 12.44 0.41 0.07 -4.33 118.70 132.13 1kzw s GLU 12 Ca 0.10 0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.89 1kzw s GLU 12 Cb -0.25 -3.64 0.00 0.00 -1.78 0.00 0.00 34.13 28.46 1kzw s GLU 12 CO 0.06 -0.30 0.00 -1.71 -0.49 0.00 0.00 175.26 172.83 1kzw n ASN 13 N 5.38 -4.82 -0.05 -0.19 5.15 -1.26 -1.02 115.26 118.45 1kzw n ASN 13 Ca -0.06 0.36 -0.16 0.00 -0.60 0.00 0.00 54.58 54.11 1kzw n ASN 13 Cb 0.50 -3.68 -0.06 0.00 -0.53 0.00 0.00 39.78 36.01 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 1.08 -0.86 1.20 3.20 -1.90 -2.86 116.97 116.83 1kzw h TYR 14 Ca -0.31 -0.44 0.06 0.00 3.14 0.00 0.00 58.73 61.18 1kzw h TYR 14 Cb 1.01 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 1kzw h TYR 14 CO 0.43 1.27 0.56 -0.44 -1.64 0.00 0.00 178.16 178.34 1kzw h ASP 15 N 0.59 0.86 -0.17 -2.11 5.19 -1.92 -0.71 116.42 118.14 1kzw h ASP 15 Ca -0.02 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 1kzw h ASP 15 Cb 1.29 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 1kzw h ASP 15 CO 0.14 0.56 -0.05 0.11 -3.12 0.00 0.00 179.24 176.88 1kzw h LYS 16 N 0.97 0.34 -0.46 3.56 6.56 -1.98 -0.53 116.57 125.02 1kzw h LYS 16 Ca 0.37 -0.13 0.08 0.00 -1.06 0.00 0.00 60.65 59.90 1kzw h LYS 16 Cb 0.19 -0.02 -0.10 0.00 -0.57 0.00 0.00 32.23 31.73 1kzw h LYS 16 CO -0.13 0.61 -0.41 0.35 -2.06 0.00 0.00 179.45 177.81 1kzw h PHE 17 N 0.04 -1.20 0.00 -1.35 3.57 -1.47 -2.46 116.94 114.07 1kzw h PHE 17 Ca 0.04 0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 1kzw h PHE 17 Cb 0.49 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1kzw h PHE 17 CO 0.05 -0.43 -0.29 0.52 -2.23 0.00 0.00 178.31 175.94 1kzw h MET 18 N -0.28 0.00 -0.03 1.11 2.86 -1.13 -1.71 114.93 115.74 1kzw h MET 18 Ca 0.16 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1kzw h MET 18 Cb 0.57 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1kzw h MET 18 CO -0.61 0.29 -0.07 1.49 1.06 0.00 0.00 176.91 179.06 1kzw h GLU 19 N 0.00 -0.11 -0.42 1.72 4.22 -1.00 -2.51 114.58 116.49 1kzw h GLU 19 Ca -0.00 0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.52 1kzw h GLU 19 Cb 0.51 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1kzw h GLU 19 CO 0.04 -0.07 0.29 -0.22 -2.18 0.00 0.00 179.01 176.86 1kzw h LYS 20 N -0.12 0.24 -0.34 1.92 1.63 -1.24 -2.83 116.57 115.83 1kzw h LYS 20 Ca 0.04 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.77 1kzw h LYS 20 Cb 0.17 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1kzw h LYS 20 CO -0.10 0.16 -0.03 0.52 -3.45 0.00 0.00 179.45 176.55 1kzw h MET 21 N 0.25 0.55 -0.53 1.90 2.86 -1.15 -3.49 114.93 115.31 1kzw h MET 21 Ca 0.19 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1kzw h MET 21 Cb 0.42 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1kzw h MET 21 CO -0.04 0.59 0.00 0.41 1.06 0.00 0.00 176.91 178.94 1kzw n GLY 22 N -0.80 0.54 3.60 8.32 0.00 -0.96 -5.10 105.19 110.79 1kzw n GLY 22 Ca 0.01 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.60 3.17 0.51 1.61 0.11 -1.19 -5.08 120.40 117.92 1kzw s VAL 23 Ca 0.00 -2.04 -0.22 0.00 -2.93 0.00 0.00 61.98 56.79 1kzw s VAL 23 Cb 0.00 -2.71 -0.07 0.00 -1.53 0.00 0.00 36.38 32.08 1kzw s VAL 23 CO 0.00 -0.37 1.18 0.59 -3.33 0.00 0.00 175.10 173.16 1kzw n ASN 24 N -0.83 1.91 -0.15 3.54 3.02 -1.26 -4.83 115.26 116.66 1kzw n ASN 24 Ca -0.06 0.97 -0.04 0.00 -0.03 0.00 0.00 54.58 55.42 1kzw n ASN 24 Cb 0.59 -1.47 0.05 0.00 -0.61 0.00 0.00 39.78 38.34 1kzw n ASN 24 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1kzw h ILE 25 N 1.33 0.80 -0.05 2.41 -0.00 -2.00 -0.45 117.51 119.57 1kzw h ILE 25 Ca -0.48 -0.10 0.00 0.00 -0.00 0.00 0.00 64.86 64.28 1kzw h ILE 25 Cb 1.32 0.49 -0.00 0.00 -0.00 0.00 0.00 36.82 38.63 1kzw h ILE 25 CO 0.56 0.05 0.03 0.58 -0.00 0.00 0.00 178.15 179.37 1kzw h VAL 26 N 0.29 1.02 -0.48 2.19 2.07 -2.00 -1.98 116.25 117.35 1kzw h VAL 26 Ca 0.22 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.72 1kzw h VAL 26 Cb 0.26 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1kzw h VAL 26 CO -0.26 0.02 0.27 0.11 0.02 0.00 0.00 177.57 177.74 1kzw h LYS 27 N 0.05 0.53 -0.68 1.57 1.79 -1.93 -1.64 116.57 116.26 1kzw h LYS 27 Ca 0.02 -0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.56 1kzw h LYS 27 Cb 0.01 -0.12 -0.12 0.00 -1.58 0.00 0.00 32.23 30.42 1kzw h LYS 27 CO -0.00 0.35 -0.39 0.00 -1.08 0.00 0.00 179.45 178.33 1kzw h ARG 28 N 0.55 -0.14 -0.22 3.15 3.08 -1.01 0.77 114.38 120.55 1kzw h ARG 28 Ca 0.20 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 1kzw h ARG 28 Cb 0.05 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1kzw h ARG 28 CO -0.11 -0.10 0.02 0.87 -1.07 0.00 0.00 179.97 179.58 1kzw h LYS 29 N -0.15 0.37 -0.31 0.04 1.79 -1.24 -3.12 116.57 113.96 1kzw h LYS 29 Ca 0.23 -0.11 0.02 0.00 -2.18 0.00 0.00 60.65 58.62 1kzw h LYS 29 Cb 0.56 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 1kzw h LYS 29 CO -0.75 0.54 0.15 -0.07 -1.08 0.00 0.00 179.45 178.24 1kzw h LEU 30 N 0.15 0.22 -2.38 2.94 3.38 -1.28 -3.26 115.31 115.07 1kzw h LEU 30 Ca 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1kzw h LEU 30 Cb 0.36 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1kzw h LEU 30 CO 0.01 0.16 -0.03 0.00 0.09 0.00 0.00 178.44 178.68 1kzw h ALA 31 N 1.16 1.12 -0.50 1.53 0.00 -0.88 -2.15 119.26 119.54 1kzw h ALA 31 Ca 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1kzw h ALA 31 Cb 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1kzw h ALA 31 CO -0.09 0.03 0.33 0.00 0.00 0.00 0.00 179.25 179.52 1kzw h ALA 32 N 1.97 0.63 -2.10 0.00 0.00 -1.58 -3.36 119.26 114.83 1kzw h ALA 32 Ca -0.00 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.31 1kzw h ALA 32 Cb 0.18 -0.20 -0.41 0.00 0.00 0.00 0.00 17.79 17.37 1kzw h ALA 32 CO 0.00 0.07 -0.88 0.72 0.00 0.00 0.00 179.25 179.17 1kzw n HIS 33 N -4.74 1.64 -0.93 0.00 8.25 -1.12 -4.64 115.22 113.68 1kzw n HIS 33 Ca 0.02 -3.86 -0.13 0.00 -0.26 0.00 0.00 57.72 53.50 1kzw n HIS 33 Cb 0.02 -0.45 -0.05 0.00 1.12 0.00 0.00 29.99 30.64 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 0.93 5.81 -4.41 0.41 5.75 -0.82 -4.84 116.55 119.38 1kzw n ASP 34 Ca 0.26 -2.74 -0.40 0.00 -0.01 0.00 0.00 54.79 51.90 1kzw n ASP 34 Cb 0.48 -1.21 -0.06 0.00 -1.03 0.00 0.00 41.12 39.30 1kzw n ASP 34 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1kzw n ASN 35 N 1.37 -2.28 -4.61 -1.12 3.02 -1.26 -0.76 115.26 109.62 1kzw n ASN 35 Ca 0.29 -1.16 -0.42 0.00 -0.03 0.00 0.00 54.58 53.26 1kzw n ASN 35 Cb 0.64 -2.06 -0.05 0.00 -0.61 0.00 0.00 39.78 37.70 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 -7.26 4.09 -0.24 3.41 0.20 -1.26 -4.32 118.68 113.29 1kzw s LEU 36 Ca 0.76 0.62 -0.04 0.00 0.69 0.00 0.00 54.13 56.16 1kzw s LEU 36 Cb -0.43 -3.07 -0.00 0.00 -0.43 0.00 0.00 46.19 42.25 1kzw s LEU 36 CO 0.99 -0.63 -0.01 -0.75 -0.29 0.00 0.00 176.35 175.66 1kzw s LYS 37 N 2.98 3.24 -0.57 1.98 2.20 0.29 -1.66 119.74 128.20 1kzw s LYS 37 Ca 0.32 -0.72 -0.19 0.00 -0.36 0.00 0.00 55.97 55.02 1kzw s LYS 37 Cb -0.14 -3.11 0.09 0.00 -1.51 0.00 0.00 37.83 33.16 1kzw s LYS 37 CO 0.13 -0.29 0.70 -0.51 -0.36 0.00 0.00 175.35 175.02 1kzw s LEU 38 N 1.47 5.23 -0.50 5.43 1.43 0.36 -1.14 118.68 130.97 1kzw s LEU 38 Ca 0.04 -1.27 -0.19 0.00 -1.03 0.00 0.00 54.13 51.69 1kzw s LEU 38 Cb -0.15 -2.35 0.06 0.00 0.03 0.00 0.00 46.19 43.78 1kzw s LEU 38 CO -0.02 -1.07 0.58 -0.89 0.23 0.00 0.00 176.35 175.19 1kzw s THR 39 N 2.74 4.94 -0.61 5.49 2.01 -0.82 -1.18 115.64 128.20 1kzw s THR 39 Ca 0.13 -0.56 -0.21 0.00 0.31 0.00 0.00 61.69 61.35 1kzw s THR 39 Cb -0.22 -4.26 0.07 0.00 0.01 0.00 0.00 72.50 68.10 1kzw s THR 39 CO 0.08 -0.76 0.84 -0.63 -0.69 0.00 0.00 174.62 173.47 1kzw s ILE 40 N 2.47 4.54 -0.53 1.82 1.01 -0.42 -1.22 121.20 128.87 1kzw s ILE 40 Ca 0.13 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 60.14 1kzw s ILE 40 Cb -0.20 -4.56 0.11 0.00 0.01 0.00 0.00 42.46 37.82 1kzw s ILE 40 CO 0.11 -1.24 0.51 -0.89 0.00 0.00 0.00 174.94 173.43 1kzw s THR 41 N 3.47 5.15 -0.21 2.92 2.01 -0.04 -3.32 115.64 125.62 1kzw s THR 41 Ca 0.19 -1.29 -0.09 0.00 0.31 0.00 0.00 61.69 60.82 1kzw s THR 41 Cb -0.19 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 1kzw s THR 41 CO 0.10 -0.83 0.10 -1.58 -0.69 0.00 0.00 174.62 171.72 1kzw s GLN 42 N 1.79 4.00 -0.14 4.92 0.74 -1.26 -0.76 119.66 128.95 1kzw s GLN 42 Ca 0.05 -0.32 -0.29 0.00 0.05 0.00 0.00 55.36 54.85 1kzw s GLN 42 Cb -0.27 -3.34 -0.26 0.00 1.10 0.00 0.00 33.01 30.23 1kzw s GLN 42 CO 0.05 0.17 0.78 1.49 -0.55 0.00 0.00 175.29 177.22 1kzw h GLU 43 N 7.09 0.01 0.00 1.67 4.57 -1.56 -3.50 114.58 122.85 1kzw h GLU 43 Ca -0.38 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1kzw h GLU 43 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1kzw h GLU 43 CO 0.68 1.00 0.00 0.41 -1.18 0.00 0.00 179.01 179.93 1kzw n GLY 44 N 1.60 -2.09 0.17 1.92 0.00 -1.26 -4.89 105.19 100.64 1kzw n GLY 44 Ca -0.10 0.80 0.02 0.00 0.00 0.00 0.00 46.02 46.74 1kzw n GLY 44 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kzw h ASN 45 N 0.00 0.00 -3.35 1.61 4.21 -1.98 -3.44 115.58 112.64 1kzw h ASN 45 Ca 0.00 0.00 -0.57 0.00 1.21 0.00 0.00 56.30 56.94 1kzw h ASN 45 Cb 0.00 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.14 1kzw h ASN 45 CO 0.00 0.47 0.24 -0.54 -1.29 0.00 0.00 177.43 176.30 1kzw s LYS 46 N -3.86 4.37 -0.15 0.81 1.02 -1.26 -1.75 119.74 118.92 1kzw s LYS 46 Ca -0.02 0.95 0.01 0.00 0.02 0.00 0.00 55.97 56.93 1kzw s LYS 46 Cb 0.13 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1kzw s LYS 46 CO 0.73 -0.14 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.78 1kzw s PHE 47 N 1.48 2.73 -0.67 3.18 0.40 -0.05 -1.22 117.98 123.85 1kzw s PHE 47 Ca 0.38 -1.16 -0.15 0.00 -0.60 0.00 0.00 56.93 55.40 1kzw s PHE 47 Cb -0.17 -1.86 0.16 0.00 0.51 0.00 0.00 43.02 41.67 1kzw s PHE 47 CO 0.16 -0.53 0.63 0.99 0.70 0.00 0.00 175.22 177.17 1kzw s THR 48 N 0.80 5.34 -0.53 0.64 2.01 0.06 -1.46 115.64 122.50 1kzw s THR 48 Ca -0.06 -1.86 -0.22 0.00 0.31 0.00 0.00 61.69 59.85 1kzw s THR 48 Cb -0.15 -4.41 0.05 0.00 0.01 0.00 0.00 72.50 67.99 1kzw s THR 48 CO -0.01 -0.96 0.83 -0.69 -0.69 0.00 0.00 174.62 173.11 1kzw s VAL 49 N 1.10 4.56 -0.60 3.82 1.01 -0.27 -0.86 120.40 129.16 1kzw s VAL 49 Ca 0.10 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 1kzw s VAL 49 Cb -0.21 -4.45 0.07 0.00 0.00 0.00 0.00 36.38 31.78 1kzw s VAL 49 CO -0.02 -1.00 0.86 -0.54 0.00 0.00 0.00 175.10 174.40 1kzw s LYS 50 N 3.49 3.14 -0.95 2.72 1.02 -0.35 -1.17 119.74 127.64 1kzw s LYS 50 Ca 0.25 -0.81 -0.16 0.00 0.02 0.00 0.00 55.97 55.27 1kzw s LYS 50 Cb -0.15 -4.18 0.17 0.00 -0.52 0.00 0.00 37.83 33.16 1kzw s LYS 50 CO 0.17 -1.60 1.06 -1.21 -0.92 0.00 0.00 175.35 172.84 1kzw s GLU 51 N 3.56 3.71 -0.43 1.68 2.02 0.10 -1.95 118.70 127.39 1kzw s GLU 51 Ca 0.21 -2.18 -0.16 0.00 0.02 0.00 0.00 54.97 52.86 1kzw s GLU 51 Cb -0.18 -4.76 0.03 0.00 0.10 0.00 0.00 34.13 29.32 1kzw s GLU 51 CO 0.12 -1.59 0.38 0.45 0.02 0.00 0.00 175.26 174.63 1kzw s SER 52 N 2.93 6.15 0.21 -0.19 0.15 -0.29 -2.30 113.70 120.36 1kzw s SER 52 Ca 0.29 -0.86 0.02 0.00 0.70 0.00 0.00 55.95 56.10 1kzw s SER 52 Cb -0.06 -2.19 -0.05 0.00 -1.71 0.00 0.00 66.02 62.00 1kzw s SER 52 CO -0.08 -0.54 0.03 -0.94 1.20 0.00 0.00 173.24 172.90 1kzw s SER 53 N 1.88 1.31 0.58 5.45 1.04 -0.59 -0.55 113.70 122.82 1kzw s SER 53 Ca 0.08 -1.24 0.27 0.00 0.48 0.00 0.00 55.95 55.54 1kzw s SER 53 Cb -0.19 0.11 1.63 0.00 0.10 0.00 0.00 66.02 67.67 1kzw s SER 53 CO 0.11 -0.60 2.13 0.00 0.98 0.00 0.00 173.24 175.85 1kzw h ALA 54 N 2.57 1.82 0.00 5.32 0.00 -1.14 -3.16 119.26 124.68 1kzw h ALA 54 Ca -0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1kzw h ALA 54 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1kzw h ALA 54 CO 0.62 -0.24 -0.00 0.74 0.00 0.00 0.00 179.25 180.38 1kzw h PHE 55 N 0.00 -0.00 -2.91 0.00 0.04 -1.92 -3.51 116.94 108.64 1kzw h PHE 55 Ca 0.07 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.87 1kzw h PHE 55 Cb 0.39 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.43 1kzw h PHE 55 CO 0.00 0.76 0.25 -0.98 -0.60 0.00 0.00 178.31 177.74 1kzw s ARG 56 N -2.10 1.38 -0.24 1.51 1.70 -1.19 -5.15 118.95 114.85 1kzw s ARG 56 Ca -0.15 -0.61 -0.05 0.00 -0.47 0.00 0.00 55.73 54.46 1kzw s ARG 56 Cb -0.02 0.57 -0.01 0.00 -0.57 0.00 0.00 34.95 34.92 1kzw s ARG 56 CO 0.53 -0.61 -0.00 -0.80 -1.08 0.00 0.00 175.30 173.33 1kzw s ASN 57 N -2.78 4.60 -0.04 -2.89 -0.87 -1.26 -1.54 114.94 110.16 1kzw s ASN 57 Ca 0.05 -0.44 0.02 0.00 -1.57 0.00 0.00 52.86 50.92 1kzw s ASN 57 Cb -0.02 -1.79 0.01 0.00 -0.02 0.00 0.00 41.25 39.42 1kzw s ASN 57 CO -0.06 -0.06 -0.09 0.27 -2.57 0.00 0.00 177.10 174.58 1kzw s ILE 58 N 1.50 0.86 -0.57 0.60 -4.36 -0.97 -4.98 121.20 113.27 1kzw s ILE 58 Ca 0.05 -0.36 -0.17 0.00 -0.26 0.00 0.00 60.65 59.91 1kzw s ILE 58 Cb -0.15 -0.79 0.13 0.00 1.25 0.00 0.00 42.46 42.90 1kzw s ILE 58 CO -0.01 0.28 0.57 -1.61 0.24 0.00 0.00 174.94 174.41 1kzw s GLU 59 N 0.45 3.05 -0.63 0.37 8.01 -1.26 -0.73 118.70 127.96 1kzw s GLU 59 Ca -0.08 -1.68 -0.20 0.00 0.01 0.00 0.00 54.97 53.02 1kzw s GLU 59 Cb -0.12 -4.31 0.09 0.00 -4.31 0.00 0.00 34.13 25.49 1kzw s GLU 59 CO 0.01 -1.38 0.81 0.08 0.01 0.00 0.00 175.26 174.79 1kzw s VAL 60 N 1.75 4.65 -0.33 2.63 1.01 -0.32 -4.86 120.40 124.92 1kzw s VAL 60 Ca 0.06 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 1kzw s VAL 60 Cb -0.27 -4.57 0.01 0.00 0.00 0.00 0.00 36.38 31.55 1kzw s VAL 60 CO 0.03 -1.25 0.84 -0.69 0.00 0.00 0.00 175.10 174.03 1kzw s VAL 61 N 3.14 4.71 -0.00 2.92 1.01 -1.26 -1.11 120.40 129.81 1kzw s VAL 61 Ca 0.16 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.32 1kzw s VAL 61 Cb -0.21 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 1kzw s VAL 61 CO 0.07 -0.38 -0.08 0.72 0.00 0.00 0.00 175.10 175.44 1kzw s PHE 62 N 3.16 0.67 0.01 5.22 -0.12 -0.53 -5.00 117.98 121.39 1kzw s PHE 62 Ca 0.34 -0.15 -0.15 0.00 -0.05 0.00 0.00 56.93 56.92 1kzw s PHE 62 Cb -0.13 -0.43 -0.06 0.00 -0.63 0.00 0.00 43.02 41.77 1kzw s PHE 62 CO 0.15 -0.01 0.42 -2.00 -0.05 0.00 0.00 175.22 173.73 1kzw s GLU 63 N -0.27 3.94 0.21 1.99 2.12 -1.26 -0.87 118.70 124.56 1kzw s GLU 63 Ca 0.02 0.44 -0.32 0.00 0.36 0.00 0.00 54.97 55.47 1kzw s GLU 63 Cb -0.03 -3.22 -0.13 0.00 0.26 0.00 0.00 34.13 31.01 1kzw s GLU 63 CO -0.00 0.69 1.58 1.28 -0.54 0.00 0.00 175.26 178.26 1kzw n LEU 64 N 1.80 3.50 0.00 2.70 4.77 -0.72 -2.45 117.00 126.60 1kzw n LEU 64 Ca -0.14 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1kzw n LEU 64 Cb 0.52 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 1kzw n LEU 64 CO 0.38 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1kzw n GLY 65 N 3.08 2.82 3.72 -0.72 0.00 -0.22 -5.02 105.19 108.86 1kzw n GLY 65 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.93 4.75 -0.62 1.61 1.01 -1.02 -4.90 120.40 119.30 1kzw s VAL 66 Ca 0.00 1.89 -0.28 0.00 0.00 0.00 0.00 61.98 63.60 1kzw s VAL 66 Cb 0.00 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1kzw s VAL 66 CO 0.00 0.26 1.22 -0.89 0.00 0.00 0.00 175.10 175.69 1kzw s THR 67 N 0.45 3.94 0.32 3.92 2.01 -1.26 -4.25 115.64 120.77 1kzw s THR 67 Ca 0.46 0.79 0.06 0.00 0.31 0.00 0.00 61.69 63.31 1kzw s THR 67 Cb -0.21 -4.76 -0.06 0.00 0.01 0.00 0.00 72.50 67.47 1kzw s THR 67 CO 0.26 -1.45 -0.02 0.72 -0.69 0.00 0.00 174.62 173.44 1kzw s PHE 68 N 5.17 2.10 -0.66 4.92 -0.71 -0.71 -4.81 117.98 123.28 1kzw s PHE 68 Ca 0.42 -0.73 -0.21 0.00 -1.04 0.00 0.00 56.93 55.37 1kzw s PHE 68 Cb -0.08 -1.29 0.09 0.00 -1.21 0.00 0.00 43.02 40.54 1kzw s PHE 68 CO 0.23 0.28 0.86 -0.80 -1.34 0.00 0.00 175.22 174.45 1kzw s ASN 69 N -3.51 6.22 -0.53 1.98 0.01 -1.26 -2.18 114.94 115.67 1kzw s ASN 69 Ca 0.32 -1.30 -0.20 0.00 -0.71 0.00 0.00 52.86 50.98 1kzw s ASN 69 Cb 0.06 -2.36 0.06 0.00 0.41 0.00 0.00 41.25 39.41 1kzw s ASN 69 CO 0.14 -1.26 0.70 -0.47 -1.51 0.00 0.00 177.10 174.71 1kzw s TYR 70 N 3.30 2.98 -0.20 2.20 5.04 0.47 -4.90 117.35 126.25 1kzw s TYR 70 Ca 0.18 -0.48 -0.15 0.00 -2.44 0.00 0.00 57.07 54.19 1kzw s TYR 70 Cb -0.19 -3.70 -0.04 0.00 0.35 0.00 0.00 41.96 38.38 1kzw s TYR 70 CO 0.07 -1.14 0.34 0.54 -1.34 0.00 0.00 175.55 174.02 1kzw s ASN 71 N 2.83 6.38 0.43 4.32 2.20 -1.26 -1.07 114.94 128.76 1kzw s ASN 71 Ca 0.18 0.44 -0.21 0.00 -0.94 0.00 0.00 52.86 52.33 1kzw s ASN 71 Cb -0.18 -2.20 -0.11 0.00 -2.00 0.00 0.00 41.25 36.76 1kzw s ASN 71 CO 0.13 -0.03 0.94 -0.76 -2.94 0.00 0.00 177.10 174.44 1kzw s LEU 72 N 1.15 3.93 0.00 3.54 1.43 -0.40 -4.97 118.68 123.36 1kzw s LEU 72 Ca 0.17 1.67 -0.02 0.00 -1.03 0.00 0.00 54.13 54.91 1kzw s LEU 72 Cb -0.14 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.47 1kzw s LEU 72 CO 0.07 -0.37 1.96 0.00 0.23 0.00 0.00 176.35 178.24 1kzw n ALA 73 N -0.68 3.88 0.19 4.21 0.00 -1.26 -3.81 120.51 123.04 1kzw n ALA 73 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1kzw n ALA 73 Cb 0.54 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1kzw n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1kzw n ASP 74 N 2.16 -2.18 0.00 0.00 8.00 -1.26 -4.91 116.55 118.36 1kzw n ASP 74 Ca 0.14 0.70 0.00 0.00 0.71 0.00 0.00 54.79 56.34 1kzw n ASP 74 Cb 0.47 2.15 0.00 0.00 -0.02 0.00 0.00 41.12 43.72 1kzw n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kzw n GLY 75 N 0.04 -1.88 3.55 0.44 0.00 -1.25 -5.17 105.19 100.92 1kzw n GLY 75 Ca 0.00 0.85 -0.01 0.00 0.00 0.00 0.00 46.02 46.86 1kzw n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kzw s THR 76 N 0.00 -0.32 -0.22 2.61 2.01 -1.26 -5.03 115.64 113.43 1kzw s THR 76 Ca 0.00 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.91 1kzw s THR 76 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1kzw s THR 76 CO 0.00 0.00 0.11 -0.70 -0.69 0.00 0.00 174.62 173.34 1kzw s GLU 77 N 2.00 3.98 -0.16 4.92 2.56 -1.26 -1.27 118.70 129.46 1kzw s GLU 77 Ca -0.06 -0.32 0.01 0.00 0.00 0.00 0.00 54.97 54.59 1kzw s GLU 77 Cb -0.06 -3.40 0.01 0.00 2.00 0.00 0.00 34.13 32.68 1kzw s GLU 77 CO -0.17 0.10 -0.17 -0.51 -0.56 0.00 0.00 175.26 173.95 1kzw s LEU 78 N 0.90 2.33 -0.28 2.70 1.43 -0.23 -2.46 118.68 123.07 1kzw s LEU 78 Ca 0.06 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 52.52 1kzw s LEU 78 Cb -0.13 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1kzw s LEU 78 CO 0.03 0.05 0.15 -0.13 0.23 0.00 0.00 176.35 176.68 1kzw s ARG 79 N 1.01 3.70 0.00 1.70 0.52 0.13 -0.39 118.95 125.61 1kzw s ARG 79 Ca -0.02 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 1kzw s ARG 79 Cb -0.15 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.78 1kzw s ARG 79 CO -0.04 -0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.44 1kzw n GLY 80 N 5.01 -1.38 3.18 -3.53 0.00 -0.93 -1.18 105.19 106.35 1kzw n GLY 80 Ca -0.15 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.23 2.14 -0.12 2.61 -4.23 -0.99 -1.74 115.64 111.08 1kzw s THR 81 Ca 0.00 -0.95 -0.26 0.00 -1.18 0.00 0.00 61.69 59.29 1kzw s THR 81 Cb 0.00 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 1kzw s THR 81 CO 0.00 0.55 0.86 0.26 -0.54 0.00 0.00 174.62 175.74 1kzw s TRP 82 N 0.83 3.50 -0.06 3.99 0.52 -1.26 -1.58 118.94 124.88 1kzw s TRP 82 Ca -0.06 1.37 0.06 0.00 0.02 0.00 0.00 56.10 57.49 1kzw s TRP 82 Cb -0.15 -3.02 -0.01 0.00 -1.15 0.00 0.00 33.47 29.14 1kzw s TRP 82 CO -0.02 -0.14 -0.24 -1.12 0.02 0.00 0.00 176.95 175.44 1kzw s SER 83 N 1.06 3.01 -0.51 2.95 0.01 -0.17 -1.05 113.70 118.99 1kzw s SER 83 Ca 0.42 -0.50 -0.22 0.00 1.31 0.00 0.00 55.95 56.95 1kzw s SER 83 Cb -0.18 -0.85 0.04 0.00 0.21 0.00 0.00 66.02 65.24 1kzw s SER 83 CO 0.16 0.23 0.81 -0.22 0.41 0.00 0.00 173.24 174.64 1kzw s LEU 84 N -0.13 4.38 0.00 2.44 2.96 -1.26 -0.92 118.68 126.16 1kzw s LEU 84 Ca -0.04 -0.45 0.07 0.00 -0.22 0.00 0.00 54.13 53.49 1kzw s LEU 84 Cb -0.14 -2.75 0.10 0.00 0.50 0.00 0.00 46.19 43.90 1kzw s LEU 84 CO 0.04 -1.05 0.79 -0.62 -1.32 0.00 0.00 176.35 174.19 1kzw n GLU 85 N 6.90 0.49 -1.56 1.98 1.02 0.61 -4.99 120.64 125.09 1kzw n GLU 85 Ca -0.01 -2.86 -0.42 0.00 -0.02 0.00 0.00 57.16 53.86 1kzw n GLU 85 Cb 0.47 -0.30 -0.04 0.00 -0.02 0.00 0.00 31.44 31.55 1kzw n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kzw n GLY 86 N -1.74 0.65 2.83 0.62 0.00 -1.26 -1.97 105.19 104.32 1kzw n GLY 86 Ca 0.15 0.78 -0.07 0.00 0.00 0.00 0.00 46.02 46.88 1kzw n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kzw n ASN 87 N 12.62 -5.66 -3.79 1.61 0.23 -1.26 -5.01 115.26 114.00 1kzw n ASN 87 Ca 0.35 0.18 -0.19 0.00 -0.53 0.00 0.00 54.58 54.38 1kzw n ASN 87 Cb 0.43 -3.88 -0.17 0.00 -2.08 0.00 0.00 39.78 34.08 1kzw n ASN 87 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1kzw s LYS 88 N -2.57 0.37 -0.47 -3.83 1.02 -0.83 -1.68 119.74 111.75 1kzw s LYS 88 Ca 0.00 0.12 -0.22 0.00 0.02 0.00 0.00 55.97 55.88 1kzw s LYS 88 Cb 0.00 -0.65 0.03 0.00 -0.52 0.00 0.00 37.83 36.69 1kzw s LYS 88 CO 0.00 -0.21 0.77 -0.51 -0.92 0.00 0.00 175.35 174.48 1kzw s LEU 89 N 1.46 4.34 -0.34 3.17 1.43 0.36 -0.29 118.68 128.82 1kzw s LEU 89 Ca -0.03 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.65 1kzw s LEU 89 Cb -0.13 -2.86 -0.01 0.00 0.03 0.00 0.00 46.19 43.22 1kzw s LEU 89 CO -0.03 -0.94 0.37 -0.51 0.23 0.00 0.00 176.35 175.48 1kzw s ILE 90 N 3.24 5.16 -0.46 -0.59 2.07 -0.10 -0.99 121.20 129.53 1kzw s ILE 90 Ca 0.27 0.10 -0.13 0.00 -1.41 0.00 0.00 60.65 59.48 1kzw s ILE 90 Cb -0.13 -3.83 0.08 0.00 0.13 0.00 0.00 42.46 38.71 1kzw s ILE 90 CO 0.21 -0.09 0.36 -0.83 -1.91 0.00 0.00 174.94 172.67 1kzw s GLY 91 N 1.73 2.02 -0.75 1.50 0.00 0.74 -1.00 107.32 111.57 1kzw s GLY 91 Ca 0.12 -2.19 -0.19 0.00 0.00 0.00 0.00 44.72 42.47 1kzw s GLY 91 CO 0.12 1.04 0.91 0.54 0.00 0.00 0.00 173.10 175.71 1kzw s LYS 92 N 1.55 3.31 0.10 2.90 1.02 -0.62 -0.92 119.74 127.08 1kzw s LYS 92 Ca 0.04 -1.50 0.08 0.00 0.02 0.00 0.00 55.97 54.60 1kzw s LYS 92 Cb -0.24 -4.50 -0.04 0.00 -0.52 0.00 0.00 37.83 32.53 1kzw s LYS 92 CO 0.04 -1.65 -0.15 -0.06 -0.92 0.00 0.00 175.35 172.61 1kzw s PHE 93 N 2.69 2.62 -0.05 3.18 0.08 -0.56 -2.35 117.98 123.59 1kzw s PHE 93 Ca 0.22 -0.22 0.06 0.00 0.12 0.00 0.00 56.93 57.10 1kzw s PHE 93 Cb -0.14 -1.40 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 1kzw s PHE 93 CO -0.00 0.38 -0.23 0.21 -0.10 0.00 0.00 175.22 175.48 1kzw s LYS 94 N -2.02 2.30 -0.56 0.44 2.36 -0.33 -0.24 119.74 121.69 1kzw s LYS 94 Ca 0.18 -0.81 -0.28 0.00 -2.55 0.00 0.00 55.97 52.51 1kzw s LYS 94 Cb -0.11 -1.97 0.01 0.00 -1.05 0.00 0.00 37.83 34.72 1kzw s LYS 94 CO 0.10 0.34 1.46 0.50 1.55 0.00 0.00 175.35 179.31 1kzw s ARG 95 N -0.12 3.25 0.42 4.03 3.52 0.13 -0.70 118.95 129.49 1kzw s ARG 95 Ca -0.03 0.50 0.29 0.00 -0.13 0.00 0.00 55.73 56.35 1kzw s ARG 95 Cb -0.13 -4.15 1.49 0.00 -1.56 0.00 0.00 34.95 30.60 1kzw s ARG 95 CO 0.03 -2.00 1.87 0.00 -0.81 0.00 0.00 175.30 174.40 1kzw h THR 96 N 6.43 0.00 0.00 4.11 1.03 -1.82 -1.94 112.91 120.72 1kzw h THR 96 Ca -0.27 -0.06 -0.10 0.00 -0.01 0.00 0.00 66.41 65.97 1kzw h THR 96 Cb 1.10 0.74 -0.01 0.00 -1.07 0.00 0.00 68.15 68.91 1kzw h THR 96 CO 1.17 0.00 -0.46 -0.78 -0.01 0.00 0.00 175.52 175.45 1kzw h ASP 97 N 0.00 0.00 0.00 0.00 1.82 -1.92 -3.42 116.42 112.90 1kzw h ASP 97 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1kzw h ASP 97 Cb 0.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.09 1kzw h ASP 97 CO 0.00 0.46 0.00 -0.46 -1.61 0.00 0.00 179.24 177.63 1kzw n ASN 98 N -3.85 0.00 0.00 2.28 6.94 -0.98 -5.07 115.26 114.58 1kzw n ASN 98 Ca -0.01 -1.00 0.00 0.00 -0.02 0.00 0.00 54.58 53.55 1kzw n ASN 98 Cb 0.50 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 1kzw n ASN 98 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kzw n GLY 99 N 0.00 3.24 3.76 4.83 0.00 -0.77 -5.07 105.19 111.19 1kzw n GLY 99 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.05 7.23 0.30 1.61 0.01 -1.26 -4.70 114.94 117.09 1kzw s ASN 100 Ca 0.00 2.30 -0.28 0.00 -0.71 0.00 0.00 52.86 54.17 1kzw s ASN 100 Cb 0.00 -2.63 -0.09 0.00 0.41 0.00 0.00 41.25 38.94 1kzw s ASN 100 CO 0.00 -0.17 1.10 -1.83 -1.51 0.00 0.00 177.10 174.69 1kzw s GLU 101 N -1.47 4.53 -0.13 -0.60 -1.05 -1.26 -0.69 118.70 118.04 1kzw s GLU 101 Ca 0.45 1.77 0.00 0.00 -0.15 0.00 0.00 54.97 57.04 1kzw s GLU 101 Cb -0.32 -3.06 0.02 0.00 -0.44 0.00 0.00 34.13 30.32 1kzw s GLU 101 CO 0.42 0.13 -0.12 -1.17 0.95 0.00 0.00 175.26 175.47 1kzw s LEU 102 N -1.68 1.49 -0.41 1.83 0.20 0.66 -3.26 118.68 117.50 1kzw s LEU 102 Ca 0.47 -0.40 -0.15 0.00 0.69 0.00 0.00 54.13 54.75 1kzw s LEU 102 Cb -0.31 -1.02 0.02 0.00 -0.43 0.00 0.00 46.19 44.45 1kzw s LEU 102 CO 0.39 -0.07 0.30 0.20 -0.29 0.00 0.00 176.35 176.88 1kzw s ASN 103 N 1.48 6.10 -0.16 3.68 0.01 0.07 -1.49 114.94 124.63 1kzw s ASN 103 Ca 0.03 -0.89 -0.13 0.00 -0.71 0.00 0.00 52.86 51.16 1kzw s ASN 103 Cb -0.13 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.33 1kzw s ASN 103 CO -0.08 -0.44 0.26 -0.89 -1.51 0.00 0.00 177.10 174.44 1kzw s THR 104 N 1.68 5.32 -0.32 1.60 2.01 -0.10 -0.93 115.64 124.90 1kzw s THR 104 Ca 0.05 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.53 1kzw s THR 104 Cb -0.19 -3.59 0.10 0.00 0.01 0.00 0.00 72.50 68.83 1kzw s THR 104 CO 0.10 0.42 0.09 -0.69 -0.69 0.00 0.00 174.62 173.85 1kzw s VAL 105 N 0.27 1.18 -0.43 3.82 1.01 -0.11 -0.18 120.40 125.97 1kzw s VAL 105 Ca 0.15 -1.63 -0.11 0.00 0.00 0.00 0.00 61.98 60.39 1kzw s VAL 105 Cb -0.13 -1.89 0.07 0.00 0.00 0.00 0.00 36.38 34.44 1kzw s VAL 105 CO 0.03 -0.67 0.29 -0.60 0.00 0.00 0.00 175.10 174.16 1kzw s ARG 106 N 1.43 2.75 -0.03 2.72 3.52 -0.16 -0.90 118.95 128.29 1kzw s ARG 106 Ca 0.10 -1.37 0.05 0.00 -0.13 0.00 0.00 55.73 54.38 1kzw s ARG 106 Cb -0.18 -3.88 -0.01 0.00 -1.56 0.00 0.00 34.95 29.32 1kzw s ARG 106 CO -0.21 -0.94 -0.17 -2.00 -0.81 0.00 0.00 175.30 171.17 1kzw s GLU 107 N 1.51 1.56 -0.14 5.12 2.12 -0.09 -0.48 118.70 128.31 1kzw s GLU 107 Ca 0.03 -0.61 -0.21 0.00 0.36 0.00 0.00 54.97 54.54 1kzw s GLU 107 Cb -0.23 -1.44 -0.03 0.00 0.26 0.00 0.00 34.13 32.69 1kzw s GLU 107 CO 0.04 0.32 0.61 0.42 -0.54 0.00 0.00 175.26 176.11 1kzw s ILE 108 N -0.21 5.07 0.00 -3.70 -1.09 -0.68 -0.74 121.20 119.85 1kzw s ILE 108 Ca 0.02 1.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 1kzw s ILE 108 Cb -0.09 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 1kzw s ILE 108 CO 0.01 0.21 0.00 -0.38 -1.23 0.00 0.00 174.94 173.54 1kzw n ILE 109 N 4.14 0.00 -3.27 2.92 2.08 -1.11 -4.90 119.36 119.23 1kzw n ILE 109 Ca -0.03 0.00 0.03 0.00 0.56 0.00 0.00 62.75 63.31 1kzw n ILE 109 Cb 0.51 -0.87 -0.02 0.00 -0.75 0.00 0.00 39.64 38.50 1kzw n ILE 109 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1kzw s GLY 110 N -1.16 -0.64 0.00 7.39 0.00 -1.26 -4.92 107.32 106.72 1kzw s GLY 110 Ca 0.00 2.38 0.00 0.00 0.00 0.00 0.00 44.72 47.10 1kzw s GLY 110 CO 0.00 3.43 0.00 1.22 0.00 0.00 0.00 173.10 177.75 1kzw n ASP 111 N 5.37 -0.77 -3.93 1.64 8.00 -1.26 -4.98 116.55 120.62 1kzw n ASP 111 Ca -0.06 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.29 1kzw n ASP 111 Cb 0.52 -2.57 -0.15 0.00 -0.02 0.00 0.00 41.12 38.90 1kzw n ASP 111 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1kzw s GLU 112 N -1.10 0.38 -0.43 -1.24 2.02 -1.26 -2.48 118.70 114.58 1kzw s GLU 112 Ca 0.00 -0.14 -0.19 0.00 0.02 0.00 0.00 54.97 54.66 1kzw s GLU 112 Cb 0.00 -0.38 0.02 0.00 0.10 0.00 0.00 34.13 33.87 1kzw s GLU 112 CO 0.00 0.07 0.55 -1.17 0.02 0.00 0.00 175.26 174.73 1kzw s LEU 113 N 0.03 4.68 -0.37 1.80 2.96 -1.11 -2.75 118.68 123.93 1kzw s LEU 113 Ca 0.00 -0.52 -0.17 0.00 -0.22 0.00 0.00 54.13 53.22 1kzw s LEU 113 Cb -0.03 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.09 1kzw s LEU 113 CO -0.00 -0.70 0.47 0.68 -1.32 0.00 0.00 176.35 175.48 1kzw s VAL 114 N 2.52 5.05 -0.15 1.68 -7.23 0.08 -0.97 120.40 121.37 1kzw s VAL 114 Ca 0.18 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1kzw s VAL 114 Cb -0.16 -3.97 0.02 0.00 0.56 0.00 0.00 36.38 32.84 1kzw s VAL 114 CO 0.16 -0.27 -0.13 0.00 -0.31 0.00 0.00 175.10 174.55 1kzw s GLN 115 N 2.28 2.24 -0.21 4.82 1.03 -0.67 -0.91 119.66 128.24 1kzw s GLN 115 Ca 0.16 -0.57 -0.06 0.00 0.04 0.00 0.00 55.36 54.93 1kzw s GLN 115 Cb -0.16 -2.12 -0.03 0.00 0.03 0.00 0.00 33.01 30.74 1kzw s GLN 115 CO 0.14 -0.26 0.02 0.99 -2.54 0.00 0.00 175.29 173.64 1kzw s THR 116 N 1.49 4.09 -0.35 3.63 2.01 -0.07 -1.32 115.64 125.12 1kzw s THR 116 Ca 0.04 -0.26 -0.09 0.00 0.31 0.00 0.00 61.69 61.69 1kzw s THR 116 Cb -0.13 -2.87 0.02 0.00 0.01 0.00 0.00 72.50 69.53 1kzw s THR 116 CO -0.10 0.41 0.16 -0.31 -0.69 0.00 0.00 174.62 174.09 1kzw s TYR 117 N 1.10 3.22 -0.43 4.92 1.51 0.11 -0.93 117.35 126.85 1kzw s TYR 117 Ca 0.03 -0.97 -0.08 0.00 -1.01 0.00 0.00 57.07 55.04 1kzw s TYR 117 Cb -0.14 -2.37 0.10 0.00 -0.11 0.00 0.00 41.96 39.43 1kzw s TYR 117 CO 0.02 -0.62 0.27 0.08 -1.11 0.00 0.00 175.55 174.19 1kzw s VAL 118 N 1.53 3.97 -1.00 0.71 1.01 -0.11 -1.33 120.40 125.19 1kzw s VAL 118 Ca 0.02 -1.67 -0.06 0.00 0.00 0.00 0.00 61.98 60.27 1kzw s VAL 118 Cb -0.19 -3.54 0.25 0.00 0.00 0.00 0.00 36.38 32.90 1kzw s VAL 118 CO 0.05 -0.62 0.94 -0.47 0.00 0.00 0.00 175.10 175.01 1kzw s TYR 119 N 1.34 4.08 -0.51 5.22 5.04 -1.13 -0.75 117.35 130.63 1kzw s TYR 119 Ca 0.05 -2.79 -0.05 0.00 -2.44 0.00 0.00 57.07 51.84 1kzw s TYR 119 Cb -0.24 -3.58 0.01 0.00 0.35 0.00 0.00 41.96 38.50 1kzw s TYR 119 CO -0.00 -0.86 0.54 0.39 -1.34 0.00 0.00 175.55 174.28 1kzw n GLU 120 N 2.64 -1.39 0.00 4.97 1.02 -1.20 -3.96 120.64 122.71 1kzw n GLU 120 Ca 0.22 1.50 0.00 0.00 -0.02 0.00 0.00 57.16 58.86 1kzw n GLU 120 Cb 0.39 -4.97 0.00 0.00 -0.02 0.00 0.00 31.44 26.84 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 -1.17 1.54 3.55 0.62 0.00 -1.26 -4.99 105.19 103.49 1kzw n GLY 121 Ca 0.04 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1kzw n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kzw s VAL 122 N -0.08 3.73 -0.40 1.61 0.11 -1.25 -4.99 120.40 119.12 1kzw s VAL 122 Ca 0.00 0.32 -0.21 0.00 -2.93 0.00 0.00 61.98 59.16 1kzw s VAL 122 Cb 0.00 -4.91 0.01 0.00 -1.53 0.00 0.00 36.38 29.95 1kzw s VAL 122 CO 0.00 -1.85 0.68 -0.70 -3.33 0.00 0.00 175.10 169.90 1kzw s GLU 123 N 5.71 3.50 -0.21 1.54 2.12 -1.26 -2.83 118.70 127.27 1kzw s GLU 123 Ca 0.36 -0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.57 1kzw s GLU 123 Cb -0.07 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.44 1kzw s GLU 123 CO 0.13 -0.91 -0.09 0.00 -0.54 0.00 0.00 175.26 173.86 1kzw s ALA 124 N 2.89 2.67 -0.40 6.30 0.00 -0.44 -4.75 121.76 128.03 1kzw s ALA 124 Ca 0.25 -1.20 -0.09 0.00 0.00 0.00 0.00 51.96 50.93 1kzw s ALA 124 Cb -0.14 -1.56 0.07 0.00 0.00 0.00 0.00 23.12 21.49 1kzw s ALA 124 CO 0.18 -0.44 0.23 0.15 0.00 0.00 0.00 175.76 175.88 1kzw s LYS 125 N 1.42 2.59 -0.35 0.00 1.02 -0.19 -0.72 119.74 123.51 1kzw s LYS 125 Ca 0.05 -1.42 -0.20 0.00 0.02 0.00 0.00 55.97 54.42 1kzw s LYS 125 Cb -0.14 -3.72 0.00 0.00 -0.52 0.00 0.00 37.83 33.45 1kzw s LYS 125 CO -0.06 -0.90 0.62 1.03 -0.92 0.00 0.00 175.35 175.12 1kzw s ARG 126 N 1.41 3.71 -0.27 1.68 0.52 -0.43 -0.75 118.95 124.83 1kzw s ARG 126 Ca 0.03 0.07 -0.08 0.00 -0.52 0.00 0.00 55.73 55.23 1kzw s ARG 126 Cb -0.22 -3.80 -0.03 0.00 0.52 0.00 0.00 34.95 31.43 1kzw s ARG 126 CO 0.02 -0.70 0.10 0.42 0.02 0.00 0.00 175.30 175.16 1kzw s ILE 127 N 2.66 4.49 0.11 1.52 1.01 -0.55 -1.67 121.20 128.77 1kzw s ILE 127 Ca 0.24 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1kzw s ILE 127 Cb -0.15 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1kzw s ILE 127 CO 0.14 0.26 0.17 -0.36 0.00 0.00 0.00 174.94 175.15 1kzw s PHE 128 N 1.63 3.32 0.11 3.97 0.40 -0.15 -1.53 117.98 125.75 1kzw s PHE 128 Ca 0.06 0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.52 1kzw s PHE 128 Cb -0.16 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1kzw s PHE 128 CO 0.05 0.54 0.21 0.15 0.70 0.00 0.00 175.22 176.87 1kzw s LYS 129 N -2.74 3.27 -0.42 0.44 1.02 0.31 -2.75 119.74 118.86 1kzw s LYS 129 Ca 0.32 -0.61 -0.27 0.00 0.02 0.00 0.00 55.97 55.43 1kzw s LYS 129 Cb -0.12 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.26 1kzw s LYS 129 CO 0.25 0.55 1.97 0.21 -0.92 0.00 0.00 175.35 177.41 1kzw s LYS 130 N -2.86 2.90 0.00 1.68 2.47 -1.04 -1.25 119.74 121.65 1kzw s LYS 130 Ca 0.33 1.27 0.00 0.00 -1.56 0.00 0.00 55.97 56.01 1kzw s LYS 130 Cb -0.12 -4.34 0.00 0.00 -1.46 0.00 0.00 37.83 31.92 1kzw s LYS 130 CO 0.27 -2.38 0.00 -3.47 0.16 0.00 0.00 175.35 169.93