#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 -4.12 0.00 3.72 -1.26 -4.93 117.46 110.87 1kzw n PHE 2 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 1kzw n PHE 2 Cb 0.00 0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.53 1kzw n PHE 2 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1kzw n ASP 3 N 1.49 -1.00 -3.63 4.37 9.92 -1.26 -4.86 116.55 121.57 1kzw n ASP 3 Ca 0.00 -1.18 0.02 0.00 -0.53 0.00 0.00 54.79 53.10 1kzw n ASP 3 Cb 0.00 -1.44 -0.00 0.00 -0.64 0.00 0.00 41.12 39.04 1kzw n ASP 3 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1kzw s SER 4 N -4.02 -0.05 -0.14 -2.24 0.01 -1.14 -4.94 113.70 101.18 1kzw s SER 4 Ca 0.19 -0.14 -0.29 0.00 1.31 0.00 0.00 55.95 57.01 1kzw s SER 4 Cb -0.10 0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.28 1kzw s SER 4 CO 0.90 -0.30 1.05 -0.89 0.41 0.00 0.00 173.24 174.41 1kzw s THR 5 N -2.40 4.68 -0.18 1.44 2.01 -1.26 -1.29 115.64 118.65 1kzw s THR 5 Ca 0.15 1.98 0.01 0.00 0.31 0.00 0.00 61.69 64.13 1kzw s THR 5 Cb 0.05 -4.27 0.03 0.00 0.01 0.00 0.00 72.50 68.31 1kzw s THR 5 CO -0.04 -0.06 -0.16 0.26 -0.69 0.00 0.00 174.62 173.93 1kzw s TRP 6 N 2.48 2.58 -0.12 4.92 0.52 -0.23 -0.43 118.94 128.65 1kzw s TRP 6 Ca 0.48 -1.56 -0.04 0.00 0.02 0.00 0.00 56.10 55.00 1kzw s TRP 6 Cb -0.18 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 1kzw s TRP 6 CO 0.14 -0.76 0.05 0.21 0.02 0.00 0.00 176.95 176.61 1kzw s LYS 7 N 1.35 3.36 -0.09 4.98 2.36 -0.48 -0.48 119.74 130.74 1kzw s LYS 7 Ca 0.03 -0.33 -0.29 0.00 -2.55 0.00 0.00 55.97 52.82 1kzw s LYS 7 Cb -0.14 -2.99 -0.05 0.00 -1.05 0.00 0.00 37.83 33.60 1kzw s LYS 7 CO -0.11 0.59 1.73 0.54 1.55 0.00 0.00 175.35 179.66 1kzw s VAL 8 N -0.55 3.48 -0.17 4.02 0.11 -0.66 -0.91 120.40 125.72 1kzw s VAL 8 Ca 0.10 0.57 -0.14 0.00 -2.93 0.00 0.00 61.98 59.58 1kzw s VAL 8 Cb -0.12 -3.42 -0.10 0.00 -1.53 0.00 0.00 36.38 31.21 1kzw s VAL 8 CO 0.02 -0.11 -0.04 -0.67 -3.33 0.00 0.00 175.10 170.97 1kzw n ASP 9 N 7.87 1.84 -3.70 3.54 2.03 0.51 -4.89 116.55 123.75 1kzw n ASP 9 Ca 0.19 0.53 -0.14 0.00 0.52 0.00 0.00 54.79 55.89 1kzw n ASP 9 Cb 0.43 -0.90 -0.07 0.00 -0.72 0.00 0.00 41.12 39.86 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 -2.33 1.60 -0.13 -0.67 1.70 -1.04 -5.03 118.95 113.05 1kzw s ARG 10 Ca -0.22 -1.68 -0.24 0.00 -0.47 0.00 0.00 55.73 53.13 1kzw s ARG 10 Cb 0.04 0.37 0.06 0.00 -0.57 0.00 0.00 34.95 34.85 1kzw s ARG 10 CO 0.38 -0.61 0.59 -1.12 -1.08 0.00 0.00 175.30 173.46 1kzw s SER 11 N -3.20 -0.58 0.00 -2.89 0.01 -1.26 -1.19 113.70 104.59 1kzw s SER 11 Ca 0.34 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.46 1kzw s SER 11 Cb 0.02 0.84 0.00 0.00 0.21 0.00 0.00 66.02 67.09 1kzw s SER 11 CO 0.17 -0.40 0.00 -0.62 0.41 0.00 0.00 173.24 172.80 1kzw n GLU 12 N 1.83 0.00 -1.47 12.44 1.02 -0.63 -4.84 120.64 128.99 1kzw n GLU 12 Ca -0.17 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.58 1kzw n GLU 12 Cb 0.56 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.96 1kzw n GLU 12 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1kzw n ASN 13 N 0.00 8.44 -3.77 1.62 5.15 -1.26 -4.80 115.26 120.64 1kzw n ASN 13 Ca 0.00 -2.70 -0.39 0.00 -0.60 0.00 0.00 54.58 50.89 1kzw n ASN 13 Cb 0.00 -1.52 -0.01 0.00 -0.53 0.00 0.00 39.78 37.72 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 3.30 2.68 0.00 1.20 9.36 -1.26 -3.96 117.16 128.48 1kzw n TYR 14 Ca 0.74 -2.94 0.00 0.00 3.32 0.00 0.00 57.90 59.03 1kzw n TYR 14 Cb 0.24 -1.07 0.00 0.00 -0.63 0.00 0.00 39.34 37.88 1kzw n TYR 14 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1kzw n ASP 15 N 0.89 0.00 -0.22 2.98 -0.08 -1.26 -4.74 116.55 114.11 1kzw n ASP 15 Ca 0.31 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.65 1kzw n ASP 15 Cb 0.34 0.38 0.33 0.00 2.34 0.00 0.00 41.12 44.51 1kzw n ASP 15 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1kzw h LYS 16 N 0.00 0.80 -0.48 -0.67 1.79 -1.99 -0.79 116.57 115.23 1kzw h LYS 16 Ca 0.00 -0.05 0.10 0.00 -2.18 0.00 0.00 60.65 58.52 1kzw h LYS 16 Cb 0.00 -0.18 -0.10 0.00 -1.58 0.00 0.00 32.23 30.37 1kzw h LYS 16 CO 0.00 0.53 -0.22 0.35 -1.08 0.00 0.00 179.45 179.03 1kzw h PHE 17 N 0.82 -0.56 -0.77 -1.35 3.57 -1.92 0.58 116.94 117.31 1kzw h PHE 17 Ca 0.34 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.85 1kzw h PHE 17 Cb 0.29 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1kzw h PHE 17 CO -0.00 -0.30 0.28 0.52 -2.23 0.00 0.00 178.31 176.57 1kzw h MET 18 N -0.12 1.16 -0.48 1.11 2.86 -1.81 -1.89 114.93 115.77 1kzw h MET 18 Ca 0.22 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1kzw h MET 18 Cb 0.47 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1kzw h MET 18 CO -0.55 0.96 0.29 1.49 1.06 0.00 0.00 176.91 180.16 1kzw h GLU 19 N 1.13 0.64 -0.89 1.72 4.22 -1.00 -2.55 114.58 117.85 1kzw h GLU 19 Ca 0.25 -0.06 0.11 0.00 0.08 0.00 0.00 59.36 59.75 1kzw h GLU 19 Cb 0.25 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 1kzw h GLU 19 CO -0.02 0.47 0.58 -0.22 -2.18 0.00 0.00 179.01 177.64 1kzw h LYS 20 N 0.63 0.81 0.00 1.92 1.63 -0.85 -1.66 116.57 119.06 1kzw h LYS 20 Ca 0.17 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1kzw h LYS 20 Cb -0.01 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.44 1kzw h LYS 20 CO -0.03 0.54 0.00 0.52 -3.45 0.00 0.00 179.45 177.02 1kzw h MET 21 N 0.83 0.00 -0.56 1.90 2.86 -1.16 -3.48 114.93 115.32 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 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1kzw h MET 21 CO -0.19 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.19 1kzw n GLY 22 N -0.44 0.98 3.56 8.32 0.00 -0.62 -5.09 105.19 111.90 1kzw n GLY 22 Ca 0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.56 3.47 0.80 1.61 -7.23 -1.13 -5.05 120.40 110.32 1kzw s VAL 23 Ca 0.00 -0.79 -0.12 0.00 -1.81 0.00 0.00 61.98 59.26 1kzw s VAL 23 Cb 0.00 -2.47 0.08 0.00 0.56 0.00 0.00 36.38 34.55 1kzw s VAL 23 CO 0.00 0.43 1.14 0.21 -0.31 0.00 0.00 175.10 176.58 1kzw s ASN 24 N -1.27 3.88 0.17 4.85 2.47 -1.26 -4.62 114.94 119.15 1kzw s ASN 24 Ca 0.16 2.12 -0.17 0.00 0.42 0.00 0.00 52.86 55.39 1kzw s ASN 24 Cb -0.11 -2.56 0.10 0.00 -1.45 0.00 0.00 41.25 37.23 1kzw s ASN 24 CO 0.06 -2.46 1.68 -0.29 -3.72 0.00 0.00 177.10 172.36 1kzw h ILE 25 N -1.08 0.63 -0.39 -5.21 -0.00 -2.00 0.80 117.51 110.26 1kzw h ILE 25 Ca -0.45 -0.01 -0.01 0.00 -0.00 0.00 0.00 64.86 64.39 1kzw h ILE 25 Cb 1.26 0.60 -0.02 0.00 -0.00 0.00 0.00 36.82 38.66 1kzw h ILE 25 CO 0.47 0.01 0.19 0.58 -0.00 0.00 0.00 178.15 179.40 1kzw h VAL 26 N 0.03 1.17 -0.76 2.19 2.07 -1.99 -1.34 116.25 117.62 1kzw h VAL 26 Ca 0.19 -0.49 0.12 0.00 0.82 0.00 0.00 66.70 67.34 1kzw h VAL 26 Cb 0.29 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 1kzw h VAL 26 CO -0.38 0.19 0.36 0.11 0.02 0.00 0.00 177.57 177.86 1kzw h LYS 27 N 0.49 0.55 -0.74 1.57 1.79 -1.86 -1.00 116.57 117.37 1kzw h LYS 27 Ca 0.13 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 1kzw h LYS 27 Cb 0.12 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1kzw h LYS 27 CO -0.02 0.36 0.35 0.00 -1.08 0.00 0.00 179.45 179.06 1kzw h ARG 28 N 0.56 1.07 -0.46 3.15 3.08 -0.68 0.36 114.38 121.47 1kzw h ARG 28 Ca 0.39 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 1kzw h ARG 28 Cb 0.51 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1kzw h ARG 28 CO -0.33 0.84 0.28 0.87 -1.07 0.00 0.00 179.97 180.56 1kzw h LYS 29 N 1.04 0.62 -0.45 0.04 1.79 -1.03 0.56 116.57 119.13 1kzw h LYS 29 Ca 0.25 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.64 1kzw h LYS 29 Cb 0.13 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1kzw h LYS 29 CO -0.03 0.45 0.18 -0.07 -1.08 0.00 0.00 179.45 178.90 1kzw h LEU 30 N 0.61 0.62 -1.15 2.94 3.38 -1.17 -0.85 115.31 119.68 1kzw h LEU 30 Ca 0.16 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1kzw h LEU 30 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1kzw h LEU 30 CO -0.03 0.61 -0.05 0.00 0.09 0.00 0.00 178.44 179.06 1kzw h ALA 31 N 1.03 1.30 0.56 1.53 0.00 -0.93 -3.11 119.26 119.64 1kzw h ALA 31 Ca 0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1kzw h ALA 31 Cb 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1kzw h ALA 31 CO -0.01 0.47 -0.30 0.00 0.00 0.00 0.00 179.25 179.41 1kzw h ALA 32 N 1.45 -0.80 -0.06 0.00 0.00 -0.89 -3.32 119.26 115.64 1kzw h ALA 32 Ca 0.10 -0.17 -0.59 0.00 0.00 0.00 0.00 54.91 54.25 1kzw h ALA 32 Cb 0.41 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1kzw h ALA 32 CO 0.02 -0.95 2.99 0.72 0.00 0.00 0.00 179.25 182.03 1kzw n HIS 33 N -5.44 2.02 0.06 0.00 -0.00 -0.33 -4.69 115.22 106.83 1kzw n HIS 33 Ca -0.12 -2.79 -0.01 0.00 -0.00 0.00 0.00 57.72 54.79 1kzw n HIS 33 Cb 0.34 -2.28 -0.06 0.00 -0.00 0.00 0.00 29.99 27.98 1kzw n HIS 33 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1kzw h ASP 34 N 4.60 0.00 -6.67 0.41 3.04 -1.66 -3.45 116.42 112.70 1kzw h ASP 34 Ca 0.74 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 54.00 1kzw h ASP 34 Cb 0.49 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 38.67 1kzw h ASP 34 CO 1.49 0.65 -0.89 -0.46 -2.04 0.00 0.00 179.24 177.99 1kzw n ASN 35 N -3.04 -0.67 -4.68 4.15 0.23 -1.26 -0.58 115.26 109.40 1kzw n ASN 35 Ca -0.06 -1.06 -0.42 0.00 -0.53 0.00 0.00 54.58 52.50 1kzw n ASN 35 Cb 0.84 -2.70 -0.03 0.00 -2.08 0.00 0.00 39.78 35.82 1kzw n ASN 35 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1kzw s LEU 36 N -7.11 4.28 -0.14 -4.53 2.96 -1.26 -4.46 118.68 108.43 1kzw s LEU 36 Ca 0.16 1.93 0.02 0.00 -0.22 0.00 0.00 54.13 56.02 1kzw s LEU 36 Cb -0.09 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.05 1kzw s LEU 36 CO 0.92 -0.66 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.34 1kzw s LYS 37 N 2.46 3.08 -0.46 1.98 2.20 -0.16 -1.65 119.74 127.19 1kzw s LYS 37 Ca 0.59 -0.82 -0.09 0.00 -0.36 0.00 0.00 55.97 55.29 1kzw s LYS 37 Cb -0.27 -2.48 0.11 0.00 -1.51 0.00 0.00 37.83 33.68 1kzw s LYS 37 CO 0.23 0.01 0.33 -0.51 -0.36 0.00 0.00 175.35 175.05 1kzw s LEU 38 N 0.78 5.59 -0.43 5.43 1.43 0.37 -1.47 118.68 130.38 1kzw s LEU 38 Ca -0.07 -1.84 -0.20 0.00 -1.03 0.00 0.00 54.13 50.99 1kzw s LEU 38 Cb -0.16 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.08 1kzw s LEU 38 CO -0.01 -0.66 0.58 -0.89 0.23 0.00 0.00 176.35 175.60 1kzw s THR 39 N 1.37 4.91 -0.38 5.49 2.01 -1.00 -1.07 115.64 126.96 1kzw s THR 39 Ca 0.05 -0.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.89 1kzw s THR 39 Cb -0.26 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.10 1kzw s THR 39 CO -0.00 -0.54 0.32 -0.63 -0.69 0.00 0.00 174.62 173.07 1kzw s ILE 40 N 2.62 5.22 -0.38 1.82 1.01 -0.41 -1.14 121.20 129.94 1kzw s ILE 40 Ca 0.20 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 1kzw s ILE 40 Cb -0.15 -3.87 0.08 0.00 0.01 0.00 0.00 42.46 38.53 1kzw s ILE 40 CO 0.17 -0.20 0.17 -0.89 0.00 0.00 0.00 174.94 174.18 1kzw s THR 41 N 1.83 3.58 -0.41 2.92 2.01 -0.35 -2.89 115.64 122.34 1kzw s THR 41 Ca 0.08 -1.59 -0.22 0.00 0.31 0.00 0.00 61.69 60.26 1kzw s THR 41 Cb -0.18 -3.23 0.02 0.00 0.01 0.00 0.00 72.50 69.12 1kzw s THR 41 CO 0.11 -0.45 0.74 -1.58 -0.69 0.00 0.00 174.62 172.76 1kzw s GLN 42 N 1.29 3.53 -1.14 4.92 0.74 -1.26 -0.88 119.66 126.86 1kzw s GLN 42 Ca 0.02 0.01 -0.09 0.00 0.05 0.00 0.00 55.36 55.35 1kzw s GLN 42 Cb -0.22 -3.88 0.26 0.00 1.10 0.00 0.00 33.01 30.27 1kzw s GLN 42 CO -0.01 -0.97 1.23 -1.91 -0.55 0.00 0.00 175.29 173.08 1kzw n GLU 43 N 6.47 3.60 0.00 1.67 4.07 0.37 -4.99 120.64 131.83 1kzw n GLU 43 Ca 0.01 -4.33 0.00 0.00 -0.06 0.00 0.00 57.16 52.78 1kzw n GLU 43 Cb 0.48 -2.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.21 1kzw n GLU 43 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1kzw n GLY 44 N 2.82 1.12 0.09 8.31 0.00 -1.26 -1.72 105.19 114.55 1kzw n GLY 44 Ca 0.27 0.31 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 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 -3.28 1.61 4.21 -1.95 -3.46 115.58 112.72 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 -0.05 0.00 -1.12 0.00 0.00 38.32 37.15 1kzw h ASN 45 CO 0.00 0.79 1.07 -0.54 -1.29 0.00 0.00 177.43 177.46 1kzw s LYS 46 N -2.81 3.56 -0.50 0.81 1.02 -0.70 -2.55 119.74 118.56 1kzw s LYS 46 Ca 0.02 0.88 -0.21 0.00 0.02 0.00 0.00 55.97 56.67 1kzw s LYS 46 Cb 0.09 -4.03 0.04 0.00 -0.52 0.00 0.00 37.83 33.41 1kzw s LYS 46 CO 0.79 -1.59 0.74 -0.06 -0.92 0.00 0.00 175.35 174.31 1kzw s PHE 47 N 5.45 2.97 -0.75 3.18 0.40 0.04 -0.48 117.98 128.79 1kzw s PHE 47 Ca 0.60 -0.22 -0.20 0.00 -0.60 0.00 0.00 56.93 56.51 1kzw s PHE 47 Cb -0.13 -3.67 0.10 0.00 0.51 0.00 0.00 43.02 39.84 1kzw s PHE 47 CO 0.32 -1.09 0.97 0.99 0.70 0.00 0.00 175.22 177.12 1kzw s THR 48 N 3.12 4.60 -0.42 0.64 2.01 -0.06 -2.11 115.64 123.42 1kzw s THR 48 Ca 0.23 -1.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.08 1kzw s THR 48 Cb -0.15 -4.68 0.03 0.00 0.01 0.00 0.00 72.50 67.71 1kzw s THR 48 CO 0.17 -1.41 0.33 -0.69 -0.69 0.00 0.00 174.62 172.33 1kzw s VAL 49 N 3.19 5.25 -0.65 3.82 1.01 -0.58 -1.20 120.40 131.23 1kzw s VAL 49 Ca 0.24 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 1kzw s VAL 49 Cb -0.13 -3.98 0.07 0.00 0.00 0.00 0.00 36.38 32.34 1kzw s VAL 49 CO 0.01 -0.37 0.97 -0.54 0.00 0.00 0.00 175.10 175.17 1kzw s LYS 50 N 1.70 3.13 -1.00 2.72 1.02 -0.29 -0.82 119.74 126.20 1kzw s LYS 50 Ca 0.05 -0.77 -0.16 0.00 0.02 0.00 0.00 55.97 55.11 1kzw s LYS 50 Cb -0.20 -4.21 0.17 0.00 -0.52 0.00 0.00 37.83 33.07 1kzw s LYS 50 CO 0.09 -1.80 1.13 -1.21 -0.92 0.00 0.00 175.35 172.64 1kzw s GLU 51 N 4.11 3.79 -0.22 1.68 2.02 -0.03 -2.38 118.70 127.67 1kzw s GLU 51 Ca 0.23 -2.26 -0.20 0.00 0.02 0.00 0.00 54.97 52.76 1kzw s GLU 51 Cb -0.16 -4.82 -0.03 0.00 0.10 0.00 0.00 34.13 29.22 1kzw s GLU 51 CO 0.11 -1.62 0.58 0.45 0.02 0.00 0.00 175.26 174.80 1kzw s SER 52 N 2.89 6.58 0.22 -0.19 0.15 -0.54 -3.00 113.70 119.81 1kzw s SER 52 Ca 0.32 0.70 -0.09 0.00 0.70 0.00 0.00 55.95 57.58 1kzw s SER 52 Cb -0.06 -2.32 -0.01 0.00 -1.71 0.00 0.00 66.02 61.92 1kzw s SER 52 CO -0.07 -0.27 0.35 -0.94 1.20 0.00 0.00 173.24 173.50 1kzw s SER 53 N 1.31 -0.00 0.00 5.45 1.04 -0.79 -0.99 113.70 119.72 1kzw s SER 53 Ca 0.25 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1kzw s SER 53 Cb -0.16 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1kzw s SER 53 CO 0.09 -1.01 0.81 0.00 0.98 0.00 0.00 173.24 174.11 1kzw n ALA 54 N -0.31 2.49 0.14 5.32 0.00 0.25 -3.42 120.51 124.99 1kzw n ALA 54 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1kzw n ALA 54 Cb 0.63 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.62 -3.11 -3.59 0.00 3.72 -1.26 -5.03 117.46 109.80 1kzw n PHE 55 Ca 0.00 0.81 -0.12 0.00 -0.05 0.00 0.00 57.45 58.08 1kzw n PHE 55 Cb 0.22 1.95 -0.05 0.00 -0.94 0.00 0.00 39.48 40.66 1kzw n PHE 55 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1kzw s ARG 56 N -2.00 1.05 -0.33 -1.08 1.70 -1.22 -5.11 118.95 111.95 1kzw s ARG 56 Ca 0.00 -0.43 -0.02 0.00 -0.47 0.00 0.00 55.73 54.82 1kzw s ARG 56 Cb 0.00 0.47 0.07 0.00 -0.57 0.00 0.00 34.95 34.92 1kzw s ARG 56 CO 0.00 -0.39 0.05 0.54 -1.08 0.00 0.00 175.30 174.42 1kzw s ASN 57 N -2.31 4.98 -0.08 -2.89 2.20 -1.26 -1.89 114.94 113.69 1kzw s ASN 57 Ca -0.02 -1.51 0.02 0.00 -0.94 0.00 0.00 52.86 50.42 1kzw s ASN 57 Cb 0.00 -1.74 0.01 0.00 -2.00 0.00 0.00 41.25 37.53 1kzw s ASN 57 CO -0.06 -0.34 -0.15 0.27 -2.94 0.00 0.00 177.10 173.88 1kzw s ILE 58 N 1.21 1.41 -0.72 0.54 -4.36 -1.16 -4.93 121.20 113.18 1kzw s ILE 58 Ca -0.01 -0.62 -0.26 0.00 -0.26 0.00 0.00 60.65 59.50 1kzw s ILE 58 Cb -0.20 -1.27 0.04 0.00 1.25 0.00 0.00 42.46 42.28 1kzw s ILE 58 CO -0.02 0.42 1.19 -1.83 0.24 0.00 0.00 174.94 174.93 1kzw s GLU 59 N 0.70 3.17 -0.68 0.37 -1.05 -1.26 -0.85 118.70 119.11 1kzw s GLU 59 Ca -0.13 -0.44 -0.24 0.00 -0.15 0.00 0.00 54.97 54.01 1kzw s GLU 59 Cb -0.16 -4.22 0.06 0.00 -0.44 0.00 0.00 34.13 29.37 1kzw s GLU 59 CO 0.03 -2.05 1.07 0.08 0.95 0.00 0.00 175.26 175.34 1kzw s VAL 60 N 5.21 4.13 -0.44 1.83 1.01 0.00 -4.80 120.40 127.34 1kzw s VAL 60 Ca 0.31 -0.06 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 1kzw s VAL 60 Cb -0.11 -4.75 0.02 0.00 0.00 0.00 0.00 36.38 31.54 1kzw s VAL 60 CO 0.13 -1.57 0.74 -0.69 0.00 0.00 0.00 175.10 173.71 1kzw s VAL 61 N 4.61 4.72 -0.07 2.92 1.01 -1.26 -1.52 120.40 130.81 1kzw s VAL 61 Ca 0.27 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.63 1kzw s VAL 61 Cb -0.14 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 31.99 1kzw s VAL 61 CO 0.12 -0.65 -0.10 0.72 0.00 0.00 0.00 175.10 175.20 1kzw s PHE 62 N 3.12 1.33 0.33 5.22 -0.12 -0.90 -4.97 117.98 121.99 1kzw s PHE 62 Ca 0.28 -0.51 -0.28 0.00 -0.05 0.00 0.00 56.93 56.37 1kzw s PHE 62 Cb -0.13 -1.03 -0.09 0.00 -0.63 0.00 0.00 43.02 41.14 1kzw s PHE 62 CO 0.21 -0.31 1.16 -1.21 -0.05 0.00 0.00 175.22 175.02 1kzw s GLU 63 N 0.91 4.37 -0.29 1.99 8.01 -1.26 -0.78 118.70 131.66 1kzw s GLU 63 Ca -0.10 1.88 -0.28 0.00 0.01 0.00 0.00 54.97 56.48 1kzw s GLU 63 Cb -0.15 -2.97 -0.04 0.00 -4.31 0.00 0.00 34.13 26.67 1kzw s GLU 63 CO 0.01 -0.05 2.07 -0.51 0.01 0.00 0.00 175.26 176.78 1kzw s LEU 64 N -1.92 3.45 0.00 1.80 1.43 -1.06 -1.61 118.68 120.78 1kzw s LEU 64 Ca 0.50 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 1kzw s LEU 64 Cb -0.33 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1kzw s LEU 64 CO 0.42 -1.94 0.00 0.61 0.23 0.00 0.00 176.35 175.67 1kzw n GLY 65 N 5.66 0.54 3.75 -3.19 0.00 -0.57 -4.97 105.19 106.42 1kzw n GLY 65 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 1kzw n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kzw s VAL 66 N -2.00 4.22 -0.46 1.61 0.11 -0.63 -4.90 120.40 118.35 1kzw s VAL 66 Ca 0.00 1.97 -0.23 0.00 -2.93 0.00 0.00 61.98 60.79 1kzw s VAL 66 Cb 0.00 -4.27 0.03 0.00 -1.53 0.00 0.00 36.38 30.61 1kzw s VAL 66 CO 0.00 0.48 0.77 -0.89 -3.33 0.00 0.00 175.10 172.13 1kzw s THR 67 N -0.99 4.66 0.09 5.04 2.01 -1.26 -4.03 115.64 121.17 1kzw s THR 67 Ca 0.40 0.33 -0.00 0.00 0.31 0.00 0.00 61.69 62.73 1kzw s THR 67 Cb -0.25 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 1kzw s THR 67 CO 0.30 -0.73 -0.01 0.72 -0.69 0.00 0.00 174.62 174.21 1kzw s PHE 68 N 3.24 0.75 -0.59 4.92 -0.71 -0.69 -4.85 117.98 120.05 1kzw s PHE 68 Ca 0.28 -1.09 -0.23 0.00 -1.04 0.00 0.00 56.93 54.85 1kzw s PHE 68 Cb -0.13 -0.47 0.05 0.00 -1.21 0.00 0.00 43.02 41.27 1kzw s PHE 68 CO 0.21 -0.37 0.93 1.21 -1.34 0.00 0.00 175.22 175.86 1kzw s ASN 69 N -3.00 6.27 0.09 1.98 3.84 -1.26 -1.63 114.94 121.22 1kzw s ASN 69 Ca 0.15 -0.63 -0.18 0.00 0.21 0.00 0.00 52.86 52.41 1kzw s ASN 69 Cb 0.07 -2.42 -0.07 0.00 -0.55 0.00 0.00 41.25 38.29 1kzw s ASN 69 CO -0.04 -1.28 0.55 -0.47 -2.79 0.00 0.00 177.10 173.07 1kzw s TYR 70 N 3.90 3.75 -0.21 0.43 5.04 0.29 -4.77 117.35 125.78 1kzw s TYR 70 Ca 0.26 1.21 -0.03 0.00 -2.44 0.00 0.00 57.07 56.06 1kzw s TYR 70 Cb -0.15 -2.45 0.07 0.00 0.35 0.00 0.00 41.96 39.78 1kzw s TYR 70 CO 0.15 0.55 0.07 -0.80 -1.34 0.00 0.00 175.55 174.19 1kzw s ASN 71 N -1.26 2.95 -1.04 4.32 0.01 -1.26 -1.23 114.94 117.43 1kzw s ASN 71 Ca 0.31 -0.91 -0.23 0.00 -0.71 0.00 0.00 52.86 51.32 1kzw s ASN 71 Cb -0.18 -0.48 0.03 0.00 0.41 0.00 0.00 41.25 41.03 1kzw s ASN 71 CO 0.19 -0.35 1.61 -0.76 -1.51 0.00 0.00 177.10 176.27 1kzw s LEU 72 N 1.95 3.46 0.00 0.60 1.43 -1.26 -4.74 118.68 120.12 1kzw s LEU 72 Ca 0.02 -1.44 0.00 0.00 -1.03 0.00 0.00 54.13 51.68 1kzw s LEU 72 Cb -0.17 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.48 1kzw s LEU 72 CO -0.14 -1.77 0.00 0.00 0.23 0.00 0.00 176.35 174.67 1kzw n ALA 73 N 10.04 0.00 -0.66 4.21 0.00 -1.26 -4.11 120.51 128.73 1kzw n ALA 73 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1kzw n ALA 73 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1kzw n ALA 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1kzw n ASP 74 N 0.57 0.00 -2.66 0.00 2.03 -1.26 -4.61 116.55 110.61 1kzw n ASP 74 Ca 0.00 0.07 -0.03 0.00 0.52 0.00 0.00 54.79 55.35 1kzw n ASP 74 Cb 0.00 -0.17 0.07 0.00 -0.72 0.00 0.00 41.12 40.30 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 2.23 -1.34 0.23 0.27 0.00 -1.26 -5.08 105.19 100.25 1kzw n GLY 75 Ca 0.00 0.61 -0.08 0.00 0.00 0.00 0.00 46.02 46.55 1kzw n GLY 75 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1kzw h THR 76 N 0.30 1.30 -3.31 2.61 2.02 -1.84 -3.48 112.91 110.52 1kzw h THR 76 Ca -0.42 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.16 1kzw h THR 76 Cb 1.23 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1kzw h THR 76 CO -0.08 0.51 -0.06 -0.62 0.37 0.00 0.00 175.52 175.64 1kzw n GLU 77 N -4.02 -0.30 -3.85 6.66 1.02 -1.17 -4.76 120.64 114.22 1kzw n GLU 77 Ca -0.02 0.71 -0.30 0.00 -0.02 0.00 0.00 57.16 57.53 1kzw n GLU 77 Cb 0.53 -2.06 -0.15 0.00 -0.02 0.00 0.00 31.44 29.73 1kzw n GLU 77 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1kzw s LEU 78 N -1.37 2.78 -0.18 -4.62 1.43 -0.36 -0.81 118.68 115.56 1kzw s LEU 78 Ca 0.03 -1.56 -0.29 0.00 -1.03 0.00 0.00 54.13 51.27 1kzw s LEU 78 Cb -0.01 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 1kzw s LEU 78 CO 0.10 -0.35 1.20 0.00 0.23 0.00 0.00 176.35 177.53 1kzw s ARG 79 N 1.42 4.25 0.00 1.70 1.70 -0.02 -0.55 118.95 127.45 1kzw s ARG 79 Ca 0.05 1.58 0.00 0.00 -0.47 0.00 0.00 55.73 56.89 1kzw s ARG 79 Cb -0.18 -3.72 0.00 0.00 -0.57 0.00 0.00 34.95 30.48 1kzw s ARG 79 CO -0.15 -0.67 0.00 0.41 -1.08 0.00 0.00 175.30 173.81 1kzw n GLY 80 N 3.52 -1.28 3.14 3.88 0.00 -0.65 -0.92 105.19 112.89 1kzw n GLY 80 Ca 0.13 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 1kzw n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kzw s THR 81 N -3.00 1.45 -0.33 2.61 -4.23 -0.92 -1.71 115.64 109.52 1kzw s THR 81 Ca 0.00 -0.73 -0.17 0.00 -1.18 0.00 0.00 61.69 59.61 1kzw s THR 81 Cb 0.00 -1.25 -0.01 0.00 1.34 0.00 0.00 72.50 72.58 1kzw s THR 81 CO 0.00 0.42 0.44 0.26 -0.54 0.00 0.00 174.62 175.20 1kzw s TRP 82 N 0.01 3.21 -0.13 3.99 0.52 -1.26 -1.80 118.94 123.46 1kzw s TRP 82 Ca -0.03 0.17 -0.02 0.00 0.02 0.00 0.00 56.10 56.24 1kzw s TRP 82 Cb -0.11 -2.77 -0.03 0.00 -1.15 0.00 0.00 33.47 29.41 1kzw s TRP 82 CO 0.02 -0.44 -0.05 0.45 0.02 0.00 0.00 176.95 176.95 1kzw s SER 83 N 1.72 4.70 -0.54 2.95 0.15 -0.40 -1.51 113.70 120.77 1kzw s SER 83 Ca 0.16 -0.12 -0.24 0.00 0.70 0.00 0.00 55.95 56.45 1kzw s SER 83 Cb -0.16 -1.63 0.04 0.00 -1.71 0.00 0.00 66.02 62.56 1kzw s SER 83 CO 0.12 0.22 0.92 -0.22 1.20 0.00 0.00 173.24 175.47 1kzw s LEU 84 N 0.08 4.15 0.69 3.45 2.96 -1.26 -0.88 118.68 127.87 1kzw s LEU 84 Ca -0.01 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1kzw s LEU 84 Cb -0.14 -2.83 0.05 0.00 0.50 0.00 0.00 46.19 43.77 1kzw s LEU 84 CO 0.03 -1.19 1.01 -1.61 -1.32 0.00 0.00 176.35 173.27 1kzw s GLU 85 N 3.85 2.34 0.07 1.98 2.02 0.59 -4.98 118.70 124.56 1kzw s GLU 85 Ca 0.30 -0.16 -0.14 0.00 0.02 0.00 0.00 54.97 54.99 1kzw s GLU 85 Cb -0.13 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.90 1kzw s GLU 85 CO 0.19 -1.16 0.91 0.41 0.02 0.00 0.00 175.26 175.63 1kzw n GLY 86 N -2.89 -1.85 1.08 -1.39 0.00 -1.26 -1.68 105.19 97.20 1kzw n GLY 86 Ca 0.07 0.66 0.08 0.00 0.00 0.00 0.00 46.02 46.83 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 -4.12 4.10 -3.73 1.61 6.94 -1.26 -5.06 115.26 113.74 1kzw n ASN 87 Ca 0.01 -2.76 -0.18 0.00 -0.02 0.00 0.00 54.58 51.62 1kzw n ASN 87 Cb 0.12 -0.52 -0.17 0.00 -2.36 0.00 0.00 39.78 36.85 1kzw n ASN 87 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1kzw s LYS 88 N -2.39 0.03 -0.51 -3.83 1.02 -0.68 -2.62 119.74 110.76 1kzw s LYS 88 Ca 0.42 0.26 -0.22 0.00 0.02 0.00 0.00 55.97 56.45 1kzw s LYS 88 Cb 0.31 -0.47 0.04 0.00 -0.52 0.00 0.00 37.83 37.20 1kzw s LYS 88 CO 0.13 -0.26 0.80 -0.51 -0.92 0.00 0.00 175.35 174.60 1kzw s LEU 89 N 1.69 4.40 -0.38 3.17 1.43 0.54 -0.30 118.68 129.23 1kzw s LEU 89 Ca -0.01 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.42 1kzw s LEU 89 Cb -0.13 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.36 1kzw s LEU 89 CO -0.03 -1.05 0.63 -0.51 0.23 0.00 0.00 176.35 175.63 1kzw s ILE 90 N 3.38 4.87 -0.76 -0.59 -1.16 -0.06 -1.29 121.20 125.60 1kzw s ILE 90 Ca 0.25 0.44 -0.16 0.00 -0.51 0.00 0.00 60.65 60.68 1kzw s ILE 90 Cb -0.14 -4.11 0.18 0.00 0.61 0.00 0.00 42.46 38.99 1kzw s ILE 90 CO 0.18 -0.39 0.76 -0.83 -2.81 0.00 0.00 174.94 171.85 1kzw s GLY 91 N 1.85 2.36 -0.56 1.50 0.00 0.61 -1.27 107.32 111.81 1kzw s GLY 91 Ca 0.24 -2.98 -0.22 0.00 0.00 0.00 0.00 44.72 41.76 1kzw s GLY 91 CO 0.16 1.39 0.84 -1.59 0.00 0.00 0.00 173.10 173.90 1kzw s LYS 92 N 1.05 3.21 0.10 2.90 -2.85 -0.75 -1.04 119.74 122.38 1kzw s LYS 92 Ca 0.16 -0.60 0.08 0.00 -1.00 0.00 0.00 55.97 54.61 1kzw s LYS 92 Cb -0.15 -4.11 -0.03 0.00 -2.06 0.00 0.00 37.83 31.48 1kzw s LYS 92 CO -0.05 -1.48 -0.21 -0.06 0.10 0.00 0.00 175.35 173.65 1kzw s PHE 93 N 3.53 1.84 -0.02 1.78 0.08 -0.03 -2.15 117.98 123.01 1kzw s PHE 93 Ca 0.23 -0.41 0.06 0.00 0.12 0.00 0.00 56.93 56.93 1kzw s PHE 93 Cb -0.16 -1.01 -0.01 0.00 -0.57 0.00 0.00 43.02 41.27 1kzw s PHE 93 CO 0.15 0.21 -0.19 0.15 -0.10 0.00 0.00 175.22 175.43 1kzw s LYS 94 N -1.87 1.60 -0.05 0.44 1.02 -0.09 -0.49 119.74 120.29 1kzw s LYS 94 Ca 0.07 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 55.07 1kzw s LYS 94 Cb -0.10 -1.53 -0.06 0.00 -0.52 0.00 0.00 37.83 35.62 1kzw s LYS 94 CO 0.04 0.41 1.67 1.03 -0.92 0.00 0.00 175.35 177.58 1kzw s ARG 95 N -0.43 4.17 -1.38 1.68 1.81 -0.47 -0.84 118.95 123.49 1kzw s ARG 95 Ca 0.07 2.20 -0.13 0.00 -1.72 0.00 0.00 55.73 56.14 1kzw s ARG 95 Cb -0.08 -4.00 0.08 0.00 -0.45 0.00 0.00 34.95 30.51 1kzw s ARG 95 CO -0.01 -0.86 2.02 0.25 -0.68 0.00 0.00 175.30 176.02 1kzw n THR 96 N 5.51 3.79 0.00 0.02 -2.24 0.01 -1.22 114.28 120.15 1kzw n THR 96 Ca 0.17 -3.62 0.00 0.00 -2.27 0.00 0.00 64.05 58.34 1kzw n THR 96 Cb 0.43 -2.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.16 1kzw n THR 96 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1kzw n ASP 97 N 5.88 0.00 -0.05 3.42 9.92 -1.26 -4.94 116.55 129.52 1kzw n ASP 97 Ca 0.48 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.61 1kzw n ASP 97 Cb 0.40 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.73 1kzw n ASP 97 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1kzw n ASN 98 N 0.00 1.07 0.00 -2.24 4.13 -1.23 -5.02 115.26 111.97 1kzw n ASN 98 Ca 0.00 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.47 1kzw n ASN 98 Cb 0.00 -0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 1kzw n ASN 98 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kzw n GLY 99 N 1.78 2.58 3.59 7.41 0.00 -0.36 -5.02 105.19 115.17 1kzw n GLY 99 Ca -0.27 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 1kzw n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kzw n ASN 100 N 0.87 0.71 -4.71 1.61 3.02 -1.26 -4.13 115.26 111.36 1kzw n ASN 100 Ca 0.00 0.88 -0.40 0.00 -0.03 0.00 0.00 54.58 55.03 1kzw n ASN 100 Cb 0.00 -1.35 -0.05 0.00 -0.61 0.00 0.00 39.78 37.78 1kzw n ASN 100 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1kzw s GLU 101 N -2.41 4.44 -0.18 3.52 -1.05 -1.26 -1.37 118.70 120.39 1kzw s GLU 101 Ca 0.70 0.91 -0.02 0.00 -0.15 0.00 0.00 54.97 56.41 1kzw s GLU 101 Cb -0.47 -3.45 -0.01 0.00 -0.44 0.00 0.00 34.13 29.76 1kzw s GLU 101 CO 0.52 0.04 -0.10 -1.17 0.95 0.00 0.00 175.26 175.50 1kzw s LEU 102 N 0.87 2.73 -0.29 1.83 0.20 0.35 -3.61 118.68 120.77 1kzw s LEU 102 Ca 0.38 -0.39 -0.03 0.00 0.69 0.00 0.00 54.13 54.78 1kzw s LEU 102 Cb -0.18 -1.66 0.04 0.00 -0.43 0.00 0.00 46.19 43.96 1kzw s LEU 102 CO 0.18 0.06 0.00 0.20 -0.29 0.00 0.00 176.35 176.50 1kzw s ASN 103 N 0.99 4.79 -0.36 3.68 0.01 -0.41 -0.85 114.94 122.79 1kzw s ASN 103 Ca -0.01 -1.09 -0.12 0.00 -0.71 0.00 0.00 52.86 50.94 1kzw s ASN 103 Cb -0.15 -1.73 0.01 0.00 0.41 0.00 0.00 41.25 39.79 1kzw s ASN 103 CO -0.01 -0.22 0.22 -0.89 -1.51 0.00 0.00 177.10 174.69 1kzw s THR 104 N 1.31 4.88 -0.89 1.60 2.01 -0.20 -0.64 115.64 123.71 1kzw s THR 104 Ca -0.03 -0.55 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 1kzw s THR 104 Cb -0.19 -3.61 0.21 0.00 0.01 0.00 0.00 72.50 68.93 1kzw s THR 104 CO -0.01 -0.11 0.89 -0.69 -0.69 0.00 0.00 174.62 174.01 1kzw s VAL 105 N 1.63 5.50 -0.56 3.82 1.01 -0.69 -0.28 120.40 130.83 1kzw s VAL 105 Ca 0.04 -2.45 -0.28 0.00 0.00 0.00 0.00 61.98 59.29 1kzw s VAL 105 Cb -0.18 -4.55 0.03 0.00 0.00 0.00 0.00 36.38 31.67 1kzw s VAL 105 CO 0.08 -1.15 1.24 -0.13 0.00 0.00 0.00 175.10 175.14 1kzw s ARG 106 N 0.45 3.50 -0.00 2.72 0.52 -0.41 -2.67 118.95 123.05 1kzw s ARG 106 Ca 0.23 0.34 0.01 0.00 -0.52 0.00 0.00 55.73 55.79 1kzw s ARG 106 Cb -0.09 -4.03 -0.00 0.00 0.52 0.00 0.00 34.95 31.35 1kzw s ARG 106 CO -0.09 -1.70 -0.03 -1.83 0.02 0.00 0.00 175.30 171.67 1kzw s GLU 107 N 5.02 0.27 -0.38 3.54 -1.05 -0.39 -0.34 118.70 125.38 1kzw s GLU 107 Ca 0.46 -0.15 -0.24 0.00 -0.15 0.00 0.00 54.97 54.89 1kzw s GLU 107 Cb -0.08 -0.24 0.01 0.00 -0.44 0.00 0.00 34.13 33.38 1kzw s GLU 107 CO 0.26 0.06 0.82 0.42 0.95 0.00 0.00 175.26 177.78 1kzw s ILE 108 N -0.16 4.68 -0.83 1.83 1.09 -1.08 -0.66 121.20 126.08 1kzw s ILE 108 Ca 0.00 0.90 -0.16 0.00 -1.10 0.00 0.00 60.65 60.30 1kzw s ILE 108 Cb -0.02 -4.26 0.18 0.00 -1.06 0.00 0.00 42.46 37.30 1kzw s ILE 108 CO -0.00 -0.50 0.87 -0.51 -0.10 0.00 0.00 174.94 174.69 1kzw s ILE 109 N 3.23 5.25 0.00 2.92 -1.16 -0.05 -4.90 121.20 126.49 1kzw s ILE 109 Ca 0.33 -2.02 0.00 0.00 -0.51 0.00 0.00 60.65 58.45 1kzw s ILE 109 Cb -0.13 -4.57 0.00 0.00 0.61 0.00 0.00 42.46 38.38 1kzw s ILE 109 CO 0.18 -1.19 0.00 0.61 -2.81 0.00 0.00 174.94 171.74 1kzw n GLY 110 N 4.62 1.66 2.61 1.50 0.00 -1.26 -2.74 105.19 111.59 1kzw n GLY 110 Ca 0.14 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 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 5.10 2.47 -3.80 1.61 2.03 -1.26 -4.84 116.55 117.86 1kzw n ASP 111 Ca 0.00 -2.62 -0.20 0.00 0.52 0.00 0.00 54.79 52.49 1kzw n ASP 111 Cb 0.00 -0.46 -0.17 0.00 -0.72 0.00 0.00 41.12 39.77 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 -3.63 0.46 -0.57 -0.67 2.02 -1.11 -3.92 118.70 111.29 1kzw s GLU 112 Ca 0.34 0.08 -0.25 0.00 0.02 0.00 0.00 54.97 55.15 1kzw s GLU 112 Cb 0.37 -0.70 0.04 0.00 0.10 0.00 0.00 34.13 33.94 1kzw s GLU 112 CO -0.02 -0.19 1.03 -1.17 0.02 0.00 0.00 175.26 174.93 1kzw s LEU 113 N 1.39 3.88 -0.25 1.80 2.96 -0.10 -0.87 118.68 127.50 1kzw s LEU 113 Ca -0.04 -0.23 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 1kzw s LEU 113 Cb -0.13 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 1kzw s LEU 113 CO -0.02 -1.33 0.14 0.68 -1.32 0.00 0.00 176.35 174.49 1kzw s VAL 114 N 4.31 5.03 -0.34 1.68 -7.23 0.17 -0.66 120.40 123.36 1kzw s VAL 114 Ca 0.34 0.07 0.01 0.00 -1.81 0.00 0.00 61.98 60.59 1kzw s VAL 114 Cb -0.11 -3.35 0.08 0.00 0.56 0.00 0.00 36.38 33.56 1kzw s VAL 114 CO 0.21 0.33 0.05 0.00 -0.31 0.00 0.00 175.10 175.38 1kzw s GLN 115 N 1.30 1.98 -0.46 4.82 -2.07 -0.14 -1.26 119.66 123.83 1kzw s GLN 115 Ca 0.06 -1.63 -0.24 0.00 -1.82 0.00 0.00 55.36 51.74 1kzw s GLN 115 Cb -0.14 -3.25 0.03 0.00 -1.09 0.00 0.00 33.01 28.55 1kzw s GLN 115 CO 0.06 -0.84 0.84 0.99 -1.32 0.00 0.00 175.29 175.02 1kzw s THR 116 N 1.08 4.57 -0.38 3.63 2.01 -1.09 -1.75 115.64 123.72 1kzw s THR 116 Ca 0.03 0.53 -0.23 0.00 0.31 0.00 0.00 61.69 62.33 1kzw s THR 116 Cb -0.20 -4.38 0.01 0.00 0.01 0.00 0.00 72.50 67.94 1kzw s THR 116 CO -0.05 -0.79 0.79 -0.31 -0.69 0.00 0.00 174.62 173.58 1kzw s TYR 117 N 3.50 3.09 -0.57 4.92 2.02 -0.20 -1.71 117.35 128.40 1kzw s TYR 117 Ca 0.32 0.49 -0.14 0.00 -0.37 0.00 0.00 57.07 57.38 1kzw s TYR 117 Cb -0.11 -3.46 0.14 0.00 -0.40 0.00 0.00 41.96 38.12 1kzw s TYR 117 CO 0.24 -0.79 0.50 0.08 -1.57 0.00 0.00 175.55 174.02 1kzw s VAL 118 N 3.16 5.04 -0.35 0.71 1.01 0.19 -1.22 120.40 128.93 1kzw s VAL 118 Ca 0.31 -1.71 -0.01 0.00 0.00 0.00 0.00 61.98 60.58 1kzw s VAL 118 Cb -0.13 -4.23 0.08 0.00 0.00 0.00 0.00 36.38 32.11 1kzw s VAL 118 CO 0.18 -0.87 0.08 -0.47 0.00 0.00 0.00 175.10 174.02 1kzw s TYR 119 N 1.34 3.49 -1.19 5.22 5.04 -0.79 -1.28 117.35 129.17 1kzw s TYR 119 Ca 0.06 -2.34 -0.07 0.00 -2.44 0.00 0.00 57.07 52.27 1kzw s TYR 119 Cb -0.27 -2.69 -0.02 0.00 0.35 0.00 0.00 41.96 39.33 1kzw s TYR 119 CO 0.01 -0.90 0.79 0.39 -1.34 0.00 0.00 175.55 174.50 1kzw n GLU 120 N 4.52 -3.39 0.00 4.97 -0.58 -1.24 -1.93 120.64 122.99 1kzw n GLU 120 Ca -0.06 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 1kzw n GLU 120 Cb 0.42 -5.09 0.00 0.00 -0.57 0.00 0.00 31.44 26.20 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 -1.49 2.91 3.54 0.62 0.00 -1.26 -5.03 105.19 104.47 1kzw n GLY 121 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.02 4.76 -0.36 1.61 1.01 -0.81 -5.04 120.40 120.55 1kzw s VAL 122 Ca 0.00 0.36 -0.20 0.00 0.00 0.00 0.00 61.98 62.15 1kzw s VAL 122 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1kzw s VAL 122 CO 0.00 -0.59 0.59 -1.61 0.00 0.00 0.00 175.10 173.49 1kzw s GLU 123 N 3.01 3.65 -0.27 2.72 8.01 -1.26 -1.88 118.70 132.68 1kzw s GLU 123 Ca 0.26 -0.04 0.03 0.00 0.01 0.00 0.00 54.97 55.23 1kzw s GLU 123 Cb -0.13 -3.81 0.07 0.00 -4.31 0.00 0.00 34.13 25.94 1kzw s GLU 123 CO 0.20 -0.71 -0.07 0.00 0.01 0.00 0.00 175.26 174.69 1kzw s ALA 124 N 2.59 2.50 -0.19 5.21 0.00 -0.36 -4.31 121.76 127.21 1kzw s ALA 124 Ca 0.22 -1.82 -0.15 0.00 0.00 0.00 0.00 51.96 50.22 1kzw s ALA 124 Cb -0.15 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1kzw s ALA 124 CO 0.14 -1.28 0.35 0.15 0.00 0.00 0.00 175.76 175.13 1kzw s LYS 125 N 1.13 4.20 -0.20 0.00 1.02 -1.26 -1.04 119.74 123.59 1kzw s LYS 125 Ca -0.05 0.14 -0.08 0.00 0.02 0.00 0.00 55.97 56.00 1kzw s LYS 125 Cb -0.20 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 1kzw s LYS 125 CO -0.06 0.05 0.07 1.03 -0.92 0.00 0.00 175.35 175.53 1kzw s ARG 126 N 1.02 3.94 -0.22 1.68 1.81 -0.72 -1.61 118.95 124.85 1kzw s ARG 126 Ca 0.18 -0.36 -0.05 0.00 -1.72 0.00 0.00 55.73 53.78 1kzw s ARG 126 Cb -0.14 -3.27 -0.02 0.00 -0.45 0.00 0.00 34.95 31.08 1kzw s ARG 126 CO 0.07 0.18 -0.01 0.42 -0.68 0.00 0.00 175.30 175.28 1kzw s ILE 127 N 0.63 3.72 -0.10 1.52 1.09 -0.33 -0.96 121.20 126.76 1kzw s ILE 127 Ca 0.04 -0.38 0.01 0.00 -1.10 0.00 0.00 60.65 59.22 1kzw s ILE 127 Cb -0.13 -2.70 -0.02 0.00 -1.06 0.00 0.00 42.46 38.55 1kzw s ILE 127 CO 0.01 0.40 -0.14 -0.36 -0.10 0.00 0.00 174.94 174.76 1kzw s PHE 128 N 1.42 2.77 0.21 3.97 0.40 0.16 -0.36 117.98 126.55 1kzw s PHE 128 Ca 0.05 -0.50 -0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1kzw s PHE 128 Cb -0.15 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 1kzw s PHE 128 CO -0.00 -0.09 0.43 0.21 0.70 0.00 0.00 175.22 176.46 1kzw s LYS 129 N 0.02 3.57 -0.31 0.44 2.20 -0.08 -0.92 119.74 124.65 1kzw s LYS 129 Ca -0.04 -0.21 -0.28 0.00 -0.36 0.00 0.00 55.97 55.07 1kzw s LYS 129 Cb -0.14 -2.80 -0.03 0.00 -1.51 0.00 0.00 37.83 33.35 1kzw s LYS 129 CO 0.04 0.37 1.95 0.21 -0.36 0.00 0.00 175.35 177.56 1kzw s LYS 130 N -3.25 3.20 0.00 4.03 2.47 -1.25 -1.38 119.74 123.56 1kzw s LYS 130 Ca 0.40 1.58 0.00 0.00 -1.56 0.00 0.00 55.97 56.39 1kzw s LYS 130 Cb -0.11 -4.27 0.00 0.00 -1.46 0.00 0.00 37.83 31.99 1kzw s LYS 130 CO 0.28 -2.02 0.00 -3.47 0.16 0.00 0.00 175.35 170.31