#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 0.20 -2.85 0.00 3.01 -1.26 -4.93 117.46 111.62 1kzw n PHE 2 Ca 0.00 -0.93 -0.43 0.00 1.01 0.00 0.00 57.45 57.10 1kzw n PHE 2 Cb 0.00 -0.46 -0.03 0.00 -0.01 0.00 0.00 39.48 38.98 1kzw n PHE 2 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1kzw s ASP 3 N 1.44 6.60 0.21 4.37 1.47 -1.26 -4.73 116.67 124.76 1kzw s ASP 3 Ca 0.04 -1.92 -0.07 0.00 1.18 0.00 0.00 52.55 51.78 1kzw s ASP 3 Cb 0.03 -2.43 0.03 0.00 -0.34 0.00 0.00 42.92 40.20 1kzw s ASP 3 CO 0.00 -1.15 0.39 -1.20 0.68 0.00 0.00 175.17 173.89 1kzw n SER 4 N 7.02 -1.14 -4.50 2.11 7.64 -1.14 -4.95 113.62 118.66 1kzw n SER 4 Ca 0.26 -1.87 -0.41 0.00 1.01 0.00 0.00 58.87 57.85 1kzw n SER 4 Cb 0.49 1.92 -0.10 0.00 -1.01 0.00 0.00 64.21 65.51 1kzw n SER 4 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1kzw s THR 5 N -2.54 5.26 -0.29 0.44 2.01 -1.26 -1.47 115.64 117.79 1kzw s THR 5 Ca 0.10 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1kzw s THR 5 Cb -0.02 -3.82 0.06 0.00 0.01 0.00 0.00 72.50 68.73 1kzw s THR 5 CO 0.07 -0.15 -0.03 0.26 -0.69 0.00 0.00 174.62 174.08 1kzw s TRP 6 N 1.74 3.35 0.01 4.92 0.52 -0.21 -0.82 118.94 128.44 1kzw s TRP 6 Ca 0.06 -2.26 -0.14 0.00 0.02 0.00 0.00 56.10 53.77 1kzw s TRP 6 Cb -0.18 -2.19 -0.06 0.00 -1.15 0.00 0.00 33.47 29.89 1kzw s TRP 6 CO 0.11 -0.87 0.41 0.21 0.02 0.00 0.00 176.95 176.83 1kzw s LYS 7 N 1.13 3.91 -0.10 4.98 2.47 -0.20 -0.45 119.74 131.47 1kzw s LYS 7 Ca -0.04 0.40 -0.29 0.00 -1.56 0.00 0.00 55.97 54.47 1kzw s LYS 7 Cb -0.20 -3.20 -0.06 0.00 -1.46 0.00 0.00 37.83 32.92 1kzw s LYS 7 CO -0.04 0.68 1.88 0.54 0.16 0.00 0.00 175.35 178.57 1kzw s VAL 8 N -1.11 3.28 -0.18 4.02 0.11 -0.44 -0.83 120.40 125.25 1kzw s VAL 8 Ca 0.25 0.33 -0.17 0.00 -2.93 0.00 0.00 61.98 59.46 1kzw s VAL 8 Cb -0.16 -3.27 -0.06 0.00 -1.53 0.00 0.00 36.38 31.36 1kzw s VAL 8 CO 0.14 -0.09 -0.32 -0.67 -3.33 0.00 0.00 175.10 170.83 1kzw n ASP 9 N 8.62 1.92 -4.13 3.54 -0.08 -0.56 -4.89 116.55 120.98 1kzw n ASP 9 Ca 0.21 0.37 -0.10 0.00 -1.51 0.00 0.00 54.79 53.76 1kzw n ASP 9 Cb 0.43 -0.76 -0.09 0.00 2.34 0.00 0.00 41.12 43.03 1kzw n ASP 9 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kzw s ARG 10 N -2.80 1.01 -0.21 -0.67 1.70 -0.95 -5.05 118.95 111.99 1kzw s ARG 10 Ca -0.28 -1.43 -0.10 0.00 -0.47 0.00 0.00 55.73 53.46 1kzw s ARG 10 Cb 0.04 0.27 0.08 0.00 -0.57 0.00 0.00 34.95 34.77 1kzw s ARG 10 CO 0.41 -0.31 0.48 -1.12 -1.08 0.00 0.00 175.30 173.68 1kzw s SER 11 N -3.05 -0.56 -0.26 -2.89 0.01 -1.26 -0.92 113.70 104.76 1kzw s SER 11 Ca 0.25 1.07 -0.10 0.00 1.31 0.00 0.00 55.95 58.48 1kzw s SER 11 Cb 0.07 1.15 -0.05 0.00 0.21 0.00 0.00 66.02 67.40 1kzw s SER 11 CO 0.03 -0.21 0.16 -1.61 0.41 0.00 0.00 173.24 172.02 1kzw s GLU 12 N 1.90 3.95 -0.59 12.44 2.02 -0.01 -4.69 118.70 133.73 1kzw s GLU 12 Ca -0.07 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1kzw s GLU 12 Cb -0.09 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.57 1kzw s GLU 12 CO -0.14 -0.09 0.00 -1.71 0.02 0.00 0.00 175.26 173.33 1kzw n ASN 13 N 4.77 -5.08 -0.28 -0.19 5.15 -1.26 -1.63 115.26 116.73 1kzw n ASN 13 Ca -0.15 0.14 -0.06 0.00 -0.60 0.00 0.00 54.58 53.91 1kzw n ASN 13 Cb 0.52 -3.07 0.06 0.00 -0.53 0.00 0.00 39.78 36.76 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 1.18 0.00 1.20 3.20 -1.88 -2.36 116.97 118.31 1kzw h TYR 14 Ca -0.11 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.64 1kzw h TYR 14 Cb 0.83 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 1kzw h TYR 14 CO 0.45 0.91 -0.08 -0.44 -1.64 0.00 0.00 178.16 177.37 1kzw h ASP 15 N 1.11 0.00 -0.01 -2.11 5.19 -1.92 -0.83 116.42 117.85 1kzw h ASP 15 Ca 0.25 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.65 1kzw h ASP 15 Cb 0.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1kzw h ASP 15 CO -0.01 0.08 -0.05 0.50 -3.12 0.00 0.00 179.24 176.64 1kzw h LYS 16 N 0.00 0.04 -0.61 3.56 3.11 -1.91 -2.91 116.57 117.85 1kzw h LYS 16 Ca -0.00 -0.04 0.12 0.00 -2.81 0.00 0.00 60.65 57.92 1kzw h LYS 16 Cb 0.17 0.01 -0.12 0.00 -1.00 0.00 0.00 32.23 31.29 1kzw h LYS 16 CO 0.01 0.73 -0.22 0.35 -2.81 0.00 0.00 179.45 177.51 1kzw h PHE 17 N -0.63 -0.54 -0.95 1.91 3.57 -1.34 -0.79 116.94 118.17 1kzw h PHE 17 Ca -0.00 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1kzw h PHE 17 Cb 0.74 0.33 -0.07 0.00 2.79 0.00 0.00 35.95 39.74 1kzw h PHE 17 CO 0.17 -0.32 0.60 0.52 -2.23 0.00 0.00 178.31 177.05 1kzw h MET 18 N -0.07 1.03 -0.42 1.11 2.86 -1.30 -2.35 114.93 115.80 1kzw h MET 18 Ca 0.28 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1kzw h MET 18 Cb 0.50 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1kzw h MET 18 CO -0.66 0.68 0.27 1.49 1.06 0.00 0.00 176.91 179.75 1kzw h GLU 19 N 1.06 0.54 -0.93 1.72 4.22 -1.20 -2.39 114.58 117.60 1kzw h GLU 19 Ca 0.42 -0.03 0.13 0.00 0.08 0.00 0.00 59.36 59.96 1kzw h GLU 19 Cb 0.23 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 1kzw h GLU 19 CO -0.19 0.36 0.60 -0.22 -2.18 0.00 0.00 179.01 177.37 1kzw h LYS 20 N 0.56 0.82 0.00 1.92 1.63 -1.03 -2.19 116.57 118.28 1kzw h LYS 20 Ca 0.15 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1kzw h LYS 20 Cb -0.06 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.39 1kzw h LYS 20 CO -0.04 0.54 -0.07 0.52 -3.45 0.00 0.00 179.45 176.95 1kzw h MET 21 N 0.84 0.00 -0.18 1.90 2.86 -1.29 -3.49 114.93 115.58 1kzw h MET 21 Ca 0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 1kzw h MET 21 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1kzw h MET 21 CO -0.23 0.07 0.00 0.41 1.06 0.00 0.00 176.91 178.23 1kzw n GLY 22 N -0.17 0.53 3.31 8.32 0.00 -0.82 -5.11 105.19 111.26 1kzw n GLY 22 Ca -0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.26 1.80 0.48 1.61 -7.23 -1.12 -5.04 120.40 109.63 1kzw s VAL 23 Ca 0.00 -1.70 -0.24 0.00 -1.81 0.00 0.00 61.98 58.24 1kzw s VAL 23 Cb 0.00 -1.69 -0.07 0.00 0.56 0.00 0.00 36.38 35.18 1kzw s VAL 23 CO 0.00 -0.14 1.34 0.20 -0.31 0.00 0.00 175.10 176.19 1kzw s ASN 24 N -2.20 5.79 0.23 4.85 0.01 -1.26 -4.60 114.94 117.75 1kzw s ASN 24 Ca 0.10 2.72 -0.07 0.00 -0.71 0.00 0.00 52.86 54.90 1kzw s ASN 24 Cb -0.08 -2.64 0.36 0.00 0.41 0.00 0.00 41.25 39.30 1kzw s ASN 24 CO 0.05 -1.21 1.74 -0.29 -1.51 0.00 0.00 177.10 175.88 1kzw h ILE 25 N 1.96 0.71 -0.04 0.60 2.10 -1.99 -0.91 117.51 119.94 1kzw h ILE 25 Ca -0.50 -0.15 0.03 0.00 1.08 0.00 0.00 64.86 65.32 1kzw h ILE 25 Cb 1.27 0.25 -0.04 0.00 -1.09 0.00 0.00 36.82 37.22 1kzw h ILE 25 CO 0.60 0.08 -0.16 0.58 -1.08 0.00 0.00 178.15 178.16 1kzw h VAL 26 N 0.42 0.60 -0.35 2.19 2.07 -1.99 -1.41 116.25 117.77 1kzw h VAL 26 Ca 0.36 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.87 1kzw h VAL 26 Cb 0.49 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1kzw h VAL 26 CO -0.36 0.00 0.19 0.11 0.02 0.00 0.00 177.57 177.54 1kzw h LYS 27 N -0.25 0.49 0.00 1.57 1.79 -1.83 -1.60 116.57 116.74 1kzw h LYS 27 Ca 0.07 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 1kzw h LYS 27 Cb 0.34 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1kzw h LYS 27 CO -0.19 0.41 -0.43 0.07 -1.08 0.00 0.00 179.45 178.23 1kzw h ARG 28 N 0.45 0.00 -0.08 3.15 0.11 -1.22 0.12 114.38 116.90 1kzw h ARG 28 Ca 0.12 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.20 1kzw h ARG 28 Cb 0.06 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.13 1kzw h ARG 28 CO -0.02 0.43 0.04 -0.22 0.10 0.00 0.00 179.97 180.29 1kzw h LYS 29 N 0.00 0.11 0.99 0.08 3.64 -1.23 -2.43 116.57 117.74 1kzw h LYS 29 Ca -0.00 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1kzw h LYS 29 Cb 0.81 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1kzw h LYS 29 CO 0.06 0.20 -0.48 -0.07 -2.27 0.00 0.00 179.45 176.89 1kzw h LEU 30 N -0.00 -1.13 -1.94 5.20 3.38 -1.23 -3.24 115.31 116.34 1kzw h LEU 30 Ca 0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1kzw h LEU 30 Cb 0.13 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1kzw h LEU 30 CO -0.00 -0.80 0.04 0.00 0.09 0.00 0.00 178.44 177.76 1kzw h ALA 31 N -1.34 1.03 -3.00 1.53 0.00 -0.90 -2.40 119.26 114.19 1kzw h ALA 31 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1kzw h ALA 31 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1kzw h ALA 31 CO 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1kzw n ALA 32 N -1.87 0.00 -2.04 0.00 0.00 -0.91 -4.67 120.51 111.02 1kzw n ALA 32 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 1kzw n ALA 32 Cb 0.08 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.56 1kzw n ALA 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1kzw n HIS 33 N -0.18 3.12 -1.30 0.00 8.25 -1.20 -4.81 115.22 119.11 1kzw n HIS 33 Ca 0.00 -2.60 -0.26 0.00 -0.26 0.00 0.00 57.72 54.60 1kzw n HIS 33 Cb 0.00 -0.86 -0.09 0.00 1.12 0.00 0.00 29.99 30.16 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 -0.56 6.86 -3.83 0.41 9.92 -0.91 -4.85 116.55 123.60 1kzw n ASP 34 Ca 0.50 -2.71 -0.24 0.00 -0.53 0.00 0.00 54.79 51.81 1kzw n ASP 34 Cb 0.41 -1.42 0.01 0.00 -0.64 0.00 0.00 41.12 39.47 1kzw n ASP 34 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1kzw n ASN 35 N 2.47 -1.03 -4.67 -2.24 3.02 -1.26 -1.13 115.26 110.41 1kzw n ASN 35 Ca 0.57 -0.93 -0.41 0.00 -0.03 0.00 0.00 54.58 53.78 1kzw n ASN 35 Cb 0.57 -3.49 -0.05 0.00 -0.61 0.00 0.00 39.78 36.20 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 4.17 -0.17 3.41 0.20 -1.26 -4.24 118.68 113.98 1kzw s LEU 36 Ca 0.04 1.00 0.01 0.00 0.69 0.00 0.00 54.13 55.87 1kzw s LEU 36 Cb -0.01 -3.05 0.02 0.00 -0.43 0.00 0.00 46.19 42.72 1kzw s LEU 36 CO 0.86 -0.31 -0.20 -0.75 -0.29 0.00 0.00 176.35 175.65 1kzw s LYS 37 N 1.93 3.01 -0.59 1.98 2.20 0.42 -1.32 119.74 127.37 1kzw s LYS 37 Ca 0.33 -0.83 -0.21 0.00 -0.36 0.00 0.00 55.97 54.90 1kzw s LYS 37 Cb -0.16 -2.55 0.07 0.00 -1.51 0.00 0.00 37.83 33.69 1kzw s LYS 37 CO 0.12 -0.15 0.80 -0.51 -0.36 0.00 0.00 175.35 175.24 1kzw s LEU 38 N 1.16 4.80 -0.53 5.43 1.43 0.40 -0.97 118.68 130.40 1kzw s LEU 38 Ca 0.02 -1.02 -0.19 0.00 -1.03 0.00 0.00 54.13 51.91 1kzw s LEU 38 Cb -0.14 -2.45 0.08 0.00 0.03 0.00 0.00 46.19 43.71 1kzw s LEU 38 CO -0.10 -1.17 0.62 -0.89 0.23 0.00 0.00 176.35 175.04 1kzw s THR 39 N 3.26 4.91 -0.20 5.49 2.01 -0.36 -1.05 115.64 129.70 1kzw s THR 39 Ca 0.18 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.34 1kzw s THR 39 Cb -0.19 -4.34 -0.05 0.00 0.01 0.00 0.00 72.50 67.93 1kzw s THR 39 CO 0.11 -0.89 0.11 -0.63 -0.69 0.00 0.00 174.62 172.63 1kzw s ILE 40 N 2.51 5.12 -0.10 1.82 1.01 -0.54 -1.12 121.20 129.88 1kzw s ILE 40 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.86 1kzw s ILE 40 Cb -0.22 -3.34 0.02 0.00 0.01 0.00 0.00 42.46 38.94 1kzw s ILE 40 CO 0.09 0.42 -0.09 0.42 0.00 0.00 0.00 174.94 175.78 1kzw s THR 41 N 0.58 1.09 -0.12 2.92 -4.23 -0.68 -2.90 115.64 112.30 1kzw s THR 41 Ca 0.06 -0.36 -0.15 0.00 -1.18 0.00 0.00 61.69 60.06 1kzw s THR 41 Cb -0.12 -1.07 -0.05 0.00 1.34 0.00 0.00 72.50 72.60 1kzw s THR 41 CO 0.01 0.37 0.37 -1.58 -0.54 0.00 0.00 174.62 173.25 1kzw s GLN 42 N 1.45 4.21 -0.53 3.99 0.74 -1.26 -0.99 119.66 127.27 1kzw s GLN 42 Ca 0.00 0.26 -0.00 0.00 0.05 0.00 0.00 55.36 55.67 1kzw s GLN 42 Cb -0.13 -3.39 0.46 0.00 1.10 0.00 0.00 33.01 31.05 1kzw s GLN 42 CO -0.06 0.30 1.97 0.39 -0.55 0.00 0.00 175.29 177.34 1kzw n GLU 43 N 3.28 2.37 -1.69 1.67 4.71 0.12 -4.94 120.64 126.17 1kzw n GLU 43 Ca -0.11 -2.84 -0.00 0.00 -0.01 0.00 0.00 57.16 54.20 1kzw n GLU 43 Cb 0.52 -2.11 -0.00 0.00 -1.01 0.00 0.00 31.44 28.84 1kzw n GLU 43 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1kzw n GLY 44 N -0.74 -3.12 5.00 0.62 0.00 -1.26 -4.54 105.19 101.15 1kzw n GLY 44 Ca 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1kzw n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kzw n ASN 45 N 0.15 0.00 -4.73 1.61 2.85 -1.26 -4.96 115.26 108.92 1kzw n ASN 45 Ca -0.01 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.04 1kzw n ASN 45 Cb 0.02 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.01 1kzw n ASN 45 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1kzw s LYS 46 N 0.00 4.52 -0.11 1.20 2.20 -1.26 -4.31 119.74 121.98 1kzw s LYS 46 Ca 0.00 1.75 -0.01 0.00 -0.36 0.00 0.00 55.97 57.36 1kzw s LYS 46 Cb 0.00 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1kzw s LYS 46 CO 0.00 -0.06 -0.08 -0.06 -0.36 0.00 0.00 175.35 174.79 1kzw s PHE 47 N 0.25 2.91 -0.32 4.03 0.08 0.27 0.14 117.98 125.34 1kzw s PHE 47 Ca 0.53 -0.26 -0.08 0.00 0.12 0.00 0.00 56.93 57.24 1kzw s PHE 47 Cb -0.30 -1.82 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1kzw s PHE 47 CO 0.33 0.06 0.12 0.99 -0.10 0.00 0.00 175.22 176.62 1kzw s THR 48 N -0.14 4.15 -0.38 0.64 2.01 -0.16 -1.45 115.64 120.31 1kzw s THR 48 Ca 0.01 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.22 1kzw s THR 48 Cb -0.13 -3.20 0.08 0.00 0.01 0.00 0.00 72.50 69.26 1kzw s THR 48 CO 0.03 -0.01 0.18 -0.69 -0.69 0.00 0.00 174.62 173.43 1kzw s VAL 49 N 1.51 3.65 -0.63 3.82 1.01 -0.38 -1.69 120.40 127.70 1kzw s VAL 49 Ca 0.02 -1.57 -0.27 0.00 0.00 0.00 0.00 61.98 60.16 1kzw s VAL 49 Cb -0.18 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1kzw s VAL 49 CO 0.04 -0.45 1.16 -0.54 0.00 0.00 0.00 175.10 175.30 1kzw s LYS 50 N 1.30 3.36 -0.74 2.72 1.02 -0.28 -0.41 119.74 126.71 1kzw s LYS 50 Ca 0.03 -0.05 -0.20 0.00 0.02 0.00 0.00 55.97 55.76 1kzw s LYS 50 Cb -0.22 -4.08 0.10 0.00 -0.52 0.00 0.00 37.83 33.11 1kzw s LYS 50 CO -0.00 -1.79 0.96 -1.21 -0.92 0.00 0.00 175.35 172.38 1kzw s GLU 51 N 4.94 3.28 -0.31 1.68 2.02 -0.45 -1.22 118.70 128.65 1kzw s GLU 51 Ca 0.37 -1.31 -0.11 0.00 0.02 0.00 0.00 54.97 53.94 1kzw s GLU 51 Cb -0.09 -4.48 -0.02 0.00 0.10 0.00 0.00 34.13 29.64 1kzw s GLU 51 CO 0.20 -1.73 0.18 0.45 0.02 0.00 0.00 175.26 174.38 1kzw s SER 52 N 3.61 5.76 0.14 -0.19 0.15 -0.15 -2.81 113.70 120.21 1kzw s SER 52 Ca 0.23 -0.34 -0.04 0.00 0.70 0.00 0.00 55.95 56.50 1kzw s SER 52 Cb -0.14 -2.06 -0.03 0.00 -1.71 0.00 0.00 66.02 62.08 1kzw s SER 52 CO 0.02 -0.16 0.15 -0.94 1.20 0.00 0.00 173.24 173.51 1kzw s SER 53 N 1.68 0.20 0.59 5.45 1.04 -0.39 -0.43 113.70 121.84 1kzw s SER 53 Ca 0.06 -1.04 0.29 0.00 0.48 0.00 0.00 55.95 55.74 1kzw s SER 53 Cb -0.17 0.35 1.79 0.00 0.10 0.00 0.00 66.02 68.09 1kzw s SER 53 CO 0.08 -0.79 2.25 0.00 0.98 0.00 0.00 173.24 175.77 1kzw h ALA 54 N 2.75 1.55 0.01 5.32 0.00 -1.30 -3.19 119.26 124.39 1kzw h ALA 54 Ca -0.34 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1kzw h ALA 54 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1kzw h ALA 54 CO 0.55 0.00 -0.00 0.35 0.00 0.00 0.00 179.25 180.15 1kzw h PHE 55 N 0.00 -0.01 -2.19 0.00 3.04 -1.94 -3.50 116.94 112.34 1kzw h PHE 55 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1kzw h PHE 55 Cb 0.01 0.00 -0.18 0.00 2.56 0.00 0.00 35.95 38.34 1kzw h PHE 55 CO 0.00 0.63 0.31 -0.98 -2.02 0.00 0.00 178.31 176.25 1kzw s ARG 56 N -3.59 0.98 -0.27 1.11 1.70 -1.20 -5.13 118.95 112.54 1kzw s ARG 56 Ca -0.17 -0.02 -0.00 0.00 -0.47 0.00 0.00 55.73 55.07 1kzw s ARG 56 Cb 0.00 0.46 0.08 0.00 -0.57 0.00 0.00 34.95 34.92 1kzw s ARG 56 CO 0.67 -0.36 0.05 -0.80 -1.08 0.00 0.00 175.30 173.78 1kzw s ASN 57 N -1.73 3.85 -0.01 -2.89 0.01 -1.26 -1.26 114.94 111.65 1kzw s ASN 57 Ca -0.04 -1.43 -0.02 0.00 -0.71 0.00 0.00 52.86 50.66 1kzw s ASN 57 Cb -0.00 -0.96 0.00 0.00 0.41 0.00 0.00 41.25 40.70 1kzw s ASN 57 CO 0.00 -0.35 0.04 0.27 -1.51 0.00 0.00 177.10 175.55 1kzw s ILE 58 N 1.54 0.02 -0.36 0.60 -0.00 -1.12 -5.01 121.20 116.87 1kzw s ILE 58 Ca 0.04 -0.18 -0.22 0.00 -0.00 0.00 0.00 60.65 60.30 1kzw s ILE 58 Cb -0.18 -0.12 0.01 0.00 -0.00 0.00 0.00 42.46 42.16 1kzw s ILE 58 CO -0.16 -0.10 0.70 -1.83 -0.00 0.00 0.00 174.94 173.56 1kzw s GLU 59 N -0.29 3.72 -0.53 0.37 -1.05 -1.26 -1.34 118.70 118.32 1kzw s GLU 59 Ca -0.03 0.18 -0.18 0.00 -0.15 0.00 0.00 54.97 54.79 1kzw s GLU 59 Cb -0.02 -3.81 0.09 0.00 -0.44 0.00 0.00 34.13 29.95 1kzw s GLU 59 CO -0.00 -0.78 0.58 0.08 0.95 0.00 0.00 175.26 176.08 1kzw s VAL 60 N 2.88 5.00 -0.22 1.83 1.01 0.45 -4.88 120.40 126.48 1kzw s VAL 60 Ca 0.28 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1kzw s VAL 60 Cb -0.14 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1kzw s VAL 60 CO 0.16 -0.87 0.32 -0.69 0.00 0.00 0.00 175.10 174.01 1kzw s VAL 61 N 2.22 5.25 -0.09 2.92 1.01 -1.26 -1.25 120.40 129.21 1kzw s VAL 61 Ca 0.09 0.52 -0.08 0.00 0.00 0.00 0.00 61.98 62.51 1kzw s VAL 61 Cb -0.24 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1kzw s VAL 61 CO 0.07 0.27 0.23 0.72 0.00 0.00 0.00 175.10 176.39 1kzw s PHE 62 N 1.33 -0.26 -0.03 5.22 -0.71 -0.53 -5.00 117.98 118.00 1kzw s PHE 62 Ca 0.15 0.62 -0.08 0.00 -1.04 0.00 0.00 56.93 56.58 1kzw s PHE 62 Cb -0.14 0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.70 1kzw s PHE 62 CO 0.07 -0.13 0.25 -2.00 -1.34 0.00 0.00 175.22 172.07 1kzw s GLU 63 N 0.22 3.59 -0.23 1.99 2.12 -1.26 -0.57 118.70 124.56 1kzw s GLU 63 Ca -0.01 -0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.02 1kzw s GLU 63 Cb -0.02 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 1kzw s GLU 63 CO -0.00 0.70 1.87 -0.51 -0.54 0.00 0.00 175.26 176.77 1kzw s LEU 64 N -1.41 3.69 0.00 2.70 1.43 -1.26 -1.11 118.68 122.71 1kzw s LEU 64 Ca 0.23 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1kzw s LEU 64 Cb -0.13 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1kzw s LEU 64 CO 0.12 -1.58 0.00 0.61 0.23 0.00 0.00 176.35 175.73 1kzw n GLY 65 N 5.21 2.86 3.53 -3.19 0.00 -1.26 -5.01 105.19 107.32 1kzw n GLY 65 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1kzw n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kzw s VAL 66 N -2.49 5.03 0.28 1.61 1.01 -0.27 -5.06 120.40 120.51 1kzw s VAL 66 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1kzw s VAL 66 Cb 0.00 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 1kzw s VAL 66 CO 0.00 -0.33 1.14 0.28 0.00 0.00 0.00 175.10 176.19 1kzw s THR 67 N 2.34 3.38 0.24 3.92 -1.32 -1.26 -4.40 115.64 118.53 1kzw s THR 67 Ca 0.16 1.36 0.03 0.00 -1.21 0.00 0.00 61.69 62.04 1kzw s THR 67 Cb -0.16 -3.87 -0.05 0.00 -1.51 0.00 0.00 72.50 66.91 1kzw s THR 67 CO 0.14 0.32 0.02 0.72 -2.21 0.00 0.00 174.62 173.61 1kzw s PHE 68 N -1.04 1.59 -0.25 9.09 -0.71 0.65 -4.93 117.98 122.37 1kzw s PHE 68 Ca 0.46 -0.98 -0.17 0.00 -1.04 0.00 0.00 56.93 55.20 1kzw s PHE 68 Cb -0.33 -0.94 -0.03 0.00 -1.21 0.00 0.00 43.02 40.51 1kzw s PHE 68 CO 0.42 -0.09 0.48 -0.80 -1.34 0.00 0.00 175.22 173.89 1kzw s ASN 69 N -3.32 6.41 -0.15 1.98 0.01 -1.26 -1.68 114.94 116.92 1kzw s ASN 69 Ca 0.31 0.49 0.02 0.00 -0.71 0.00 0.00 52.86 52.96 1kzw s ASN 69 Cb 0.06 -2.26 0.01 0.00 0.41 0.00 0.00 41.25 39.47 1kzw s ASN 69 CO 0.10 -0.24 -0.21 -0.47 -1.51 0.00 0.00 177.10 174.77 1kzw s TYR 70 N 2.14 2.71 -0.08 2.20 5.04 0.28 -4.96 117.35 124.68 1kzw s TYR 70 Ca 0.20 -1.45 -0.28 0.00 -2.44 0.00 0.00 57.07 53.10 1kzw s TYR 70 Cb -0.16 -1.85 -0.02 0.00 0.35 0.00 0.00 41.96 40.28 1kzw s TYR 70 CO 0.09 -0.68 0.93 1.21 -1.34 0.00 0.00 175.55 175.77 1kzw s ASN 71 N 0.98 7.21 1.35 4.32 2.47 -1.26 -0.40 114.94 129.61 1kzw s ASN 71 Ca -0.03 1.48 -0.21 0.00 0.42 0.00 0.00 52.86 54.52 1kzw s ASN 71 Cb -0.15 -2.53 0.34 0.00 -1.45 0.00 0.00 41.25 37.47 1kzw s ASN 71 CO -0.06 -0.34 0.98 -0.76 -3.72 0.00 0.00 177.10 173.20 1kzw s LEU 72 N 1.56 -0.52 0.00 3.21 1.43 -0.89 -4.89 118.68 118.59 1kzw s LEU 72 Ca 0.47 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 1kzw s LEU 72 Cb -0.19 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1kzw s LEU 72 CO 0.20 -4.98 0.68 0.00 0.23 0.00 0.00 176.35 172.48 1kzw n ALA 73 N -5.38 2.30 -1.00 4.21 0.00 -1.26 -4.25 120.51 115.13 1kzw n ALA 73 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1kzw n ALA 73 Cb 0.59 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.31 0.00 -2.68 0.00 2.03 -1.26 -4.59 116.55 111.36 1kzw n ASP 74 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 1kzw n ASP 74 Cb 0.22 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.68 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 -0.34 -1.49 2.96 0.27 0.00 -1.26 -5.14 105.19 100.19 1kzw n GLY 75 Ca 0.00 0.99 -0.07 0.00 0.00 0.00 0.00 46.02 46.94 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 0.52 -0.66 -0.35 2.61 2.01 -1.26 -5.00 115.64 113.51 1kzw s THR 76 Ca 0.26 -0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.96 1kzw s THR 76 Cb 0.17 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.85 1kzw s THR 76 CO -0.11 -0.10 0.88 -1.61 -0.69 0.00 0.00 174.62 173.00 1kzw s GLU 77 N 2.60 3.87 0.12 4.92 8.01 -1.26 -2.10 118.70 134.86 1kzw s GLU 77 Ca 0.13 0.57 0.05 0.00 0.01 0.00 0.00 54.97 55.74 1kzw s GLU 77 Cb -0.15 -3.78 -0.04 0.00 -4.31 0.00 0.00 34.13 25.85 1kzw s GLU 77 CO -0.16 -0.87 0.05 -0.51 0.01 0.00 0.00 175.26 173.78 1kzw s LEU 78 N 3.31 3.59 -0.28 1.80 1.43 0.46 -1.50 118.68 127.49 1kzw s LEU 78 Ca 0.36 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1kzw s LEU 78 Cb -0.13 -2.27 0.05 0.00 0.03 0.00 0.00 46.19 43.87 1kzw s LEU 78 CO 0.17 0.13 -0.05 -0.13 0.23 0.00 0.00 176.35 176.70 1kzw s ARG 79 N -2.66 2.49 0.07 1.70 0.52 0.43 -0.55 118.95 120.94 1kzw s ARG 79 Ca 0.28 -1.21 -0.12 0.00 -0.52 0.00 0.00 55.73 54.16 1kzw s ARG 79 Cb -0.11 -3.05 0.04 0.00 0.52 0.00 0.00 34.95 32.35 1kzw s ARG 79 CO 0.20 -0.55 0.55 0.41 0.02 0.00 0.00 175.30 175.93 1kzw n GLY 80 N 4.59 0.84 0.91 -3.53 0.00 -0.68 -0.87 105.19 106.45 1kzw n GLY 80 Ca -0.14 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 44.84 1kzw n GLY 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1kzw n THR 81 N -0.39 1.12 -1.71 2.61 -1.04 -1.25 -0.25 114.28 113.36 1kzw n THR 81 Ca -0.00 0.31 -0.00 0.00 -2.04 0.00 0.00 64.05 62.31 1kzw n THR 81 Cb 0.29 -1.67 -0.00 0.00 -1.82 0.00 0.00 70.33 67.13 1kzw n THR 81 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1kzw n TRP 82 N -3.56 -0.73 -4.05 -1.42 7.02 -1.23 -4.85 117.44 108.62 1kzw n TRP 82 Ca -0.03 0.34 -0.35 0.00 -1.02 0.00 0.00 57.50 56.44 1kzw n TRP 82 Cb 0.14 -1.95 -0.11 0.00 -2.42 0.00 0.00 31.31 26.98 1kzw n TRP 82 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1kzw s SER 83 N -0.27 5.35 -0.65 -0.99 0.01 -0.58 -4.29 113.70 112.27 1kzw s SER 83 Ca -0.01 -0.02 -0.27 0.00 1.31 0.00 0.00 55.95 56.95 1kzw s SER 83 Cb 0.00 -1.92 0.02 0.00 0.21 0.00 0.00 66.02 64.34 1kzw s SER 83 CO 0.14 0.13 1.33 -0.22 0.41 0.00 0.00 173.24 175.03 1kzw s LEU 84 N 0.63 3.29 -0.11 2.44 2.96 -1.26 -0.96 118.68 125.66 1kzw s LEU 84 Ca 0.02 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 1kzw s LEU 84 Cb -0.13 -2.82 -0.05 0.00 0.50 0.00 0.00 46.19 43.69 1kzw s LEU 84 CO 0.02 -1.76 0.11 -0.08 -1.32 0.00 0.00 176.35 173.32 1kzw h GLU 85 N 10.46 0.00 0.00 1.98 4.57 -1.45 -3.48 114.58 126.67 1kzw h GLU 85 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1kzw h GLU 85 Cb 1.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1kzw h GLU 85 CO 1.23 0.19 0.00 0.41 -1.18 0.00 0.00 179.01 179.66 1kzw n GLY 86 N 1.72 1.00 2.73 1.92 0.00 -1.26 -4.91 105.19 106.39 1kzw n GLY 86 Ca -0.03 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1kzw n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kzw n ASN 87 N 0.00 7.08 -3.48 1.61 5.15 -1.26 -4.97 115.26 119.39 1kzw n ASN 87 Ca 0.00 -3.73 -0.14 0.00 -0.60 0.00 0.00 54.58 50.11 1kzw n ASN 87 Cb 0.00 -1.07 -0.11 0.00 -0.53 0.00 0.00 39.78 38.07 1kzw n ASN 87 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1kzw s LYS 88 N -4.18 0.24 -0.64 1.20 1.02 -1.26 -4.31 119.74 111.81 1kzw s LYS 88 Ca 0.43 0.42 -0.24 0.00 0.02 0.00 0.00 55.97 56.60 1kzw s LYS 88 Cb 0.27 -0.75 0.06 0.00 -0.52 0.00 0.00 37.83 36.88 1kzw s LYS 88 CO -0.20 -0.58 1.00 -0.51 -0.92 0.00 0.00 175.35 174.14 1kzw s LEU 89 N 2.42 4.12 -0.50 3.17 1.43 0.09 -0.94 118.68 128.47 1kzw s LEU 89 Ca 0.08 -0.71 -0.23 0.00 -1.03 0.00 0.00 54.13 52.24 1kzw s LEU 89 Cb -0.15 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.54 1kzw s LEU 89 CO -0.13 -1.43 0.82 -0.51 0.23 0.00 0.00 176.35 175.33 1kzw s ILE 90 N 4.26 4.59 -0.90 -0.59 2.07 -0.14 -0.93 121.20 129.56 1kzw s ILE 90 Ca 0.27 0.17 -0.22 0.00 -1.41 0.00 0.00 60.65 59.45 1kzw s ILE 90 Cb -0.14 -4.41 0.07 0.00 0.13 0.00 0.00 42.46 38.11 1kzw s ILE 90 CO 0.14 -0.90 1.26 -0.83 -1.91 0.00 0.00 174.94 172.70 1kzw s GLY 91 N 2.55 1.39 -0.89 1.50 0.00 0.76 -1.53 107.32 111.10 1kzw s GLY 91 Ca 0.27 -2.19 -0.21 0.00 0.00 0.00 0.00 44.72 42.60 1kzw s GLY 91 CO 0.19 2.41 1.17 0.54 0.00 0.00 0.00 173.10 177.41 1kzw s LYS 92 N 4.36 3.48 -0.34 2.90 1.02 -1.26 -1.09 119.74 128.81 1kzw s LYS 92 Ca 0.37 -1.37 -0.04 0.00 0.02 0.00 0.00 55.97 54.95 1kzw s LYS 92 Cb -0.05 -4.84 0.06 0.00 -0.52 0.00 0.00 37.83 32.47 1kzw s LYS 92 CO -0.03 -1.89 0.08 -0.06 -0.92 0.00 0.00 175.35 172.53 1kzw s PHE 93 N 3.59 3.31 -0.10 3.18 0.08 -0.17 -3.96 117.98 123.91 1kzw s PHE 93 Ca 0.34 -1.76 -0.20 0.00 0.12 0.00 0.00 56.93 55.43 1kzw s PHE 93 Cb -0.06 -2.38 -0.04 0.00 -0.57 0.00 0.00 43.02 39.97 1kzw s PHE 93 CO -0.05 -0.80 0.56 0.15 -0.10 0.00 0.00 175.22 174.98 1kzw s LYS 94 N 1.30 4.37 0.30 0.44 1.02 -0.05 -0.53 119.74 126.59 1kzw s LYS 94 Ca -0.02 0.60 -0.30 0.00 0.02 0.00 0.00 55.97 56.28 1kzw s LYS 94 Cb -0.20 -3.45 -0.11 0.00 -0.52 0.00 0.00 37.83 33.55 1kzw s LYS 94 CO 0.00 0.11 1.56 1.03 -0.92 0.00 0.00 175.35 177.14 1kzw s ARG 95 N 0.73 4.14 0.02 1.68 1.81 -0.51 -0.43 118.95 126.39 1kzw s ARG 95 Ca 0.30 2.54 -0.18 0.00 -1.72 0.00 0.00 55.73 56.67 1kzw s ARG 95 Cb -0.16 -3.03 -0.10 0.00 -0.45 0.00 0.00 34.95 31.21 1kzw s ARG 95 CO 0.13 -0.59 1.05 1.79 -0.68 0.00 0.00 175.30 177.00 1kzw h THR 96 N 3.36 0.00 -1.22 0.02 1.35 -1.62 -2.27 112.91 112.53 1kzw h THR 96 Ca -0.47 -0.13 -0.74 0.00 -0.55 0.00 0.00 66.41 64.52 1kzw h THR 96 Cb 1.22 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 67.51 1kzw h THR 96 CO 0.77 0.00 2.13 -0.67 -0.25 0.00 0.00 175.52 177.51 1kzw n ASP 97 N -4.09 4.87 0.00 5.36 2.03 -1.26 -4.06 116.55 119.39 1kzw n ASP 97 Ca -0.08 -3.02 0.00 0.00 0.52 0.00 0.00 54.79 52.21 1kzw n ASP 97 Cb 0.25 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.10 1kzw n ASP 97 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1kzw n ASN 98 N 4.96 0.00 -0.88 1.67 4.13 -1.26 -4.99 115.26 118.89 1kzw n ASN 98 Ca 0.42 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.58 1kzw n ASN 98 Cb 0.39 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.59 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 0.00 0.83 3.42 7.41 0.00 -0.85 -4.99 105.19 111.00 1kzw n GLY 99 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1kzw n GLY 99 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kzw s ASN 100 N -2.80 3.25 -0.15 1.61 0.01 -1.26 -4.80 114.94 110.80 1kzw s ASN 100 Ca 0.00 -0.96 -0.25 0.00 -0.71 0.00 0.00 52.86 50.94 1kzw s ASN 100 Cb 0.00 -0.24 -0.02 0.00 0.41 0.00 0.00 41.25 41.40 1kzw s ASN 100 CO 0.00 0.01 0.80 -1.83 -1.51 0.00 0.00 177.10 174.57 1kzw s GLU 101 N -3.22 4.32 -0.27 -0.60 -1.05 -1.26 -1.42 118.70 115.20 1kzw s GLU 101 Ca 0.24 0.98 -0.01 0.00 -0.15 0.00 0.00 54.97 56.04 1kzw s GLU 101 Cb -0.05 -3.55 0.04 0.00 -0.44 0.00 0.00 34.13 30.13 1kzw s GLU 101 CO 0.11 -0.24 -0.05 -1.17 0.95 0.00 0.00 175.26 174.86 1kzw s LEU 102 N 1.85 3.54 -0.36 1.83 0.20 0.31 -3.39 118.68 122.67 1kzw s LEU 102 Ca 0.38 -1.17 -0.11 0.00 0.69 0.00 0.00 54.13 53.92 1kzw s LEU 102 Cb -0.17 -1.66 0.01 0.00 -0.43 0.00 0.00 46.19 43.95 1kzw s LEU 102 CO 0.14 -0.20 0.20 0.20 -0.29 0.00 0.00 176.35 176.40 1kzw s ASN 103 N 1.24 5.74 -0.39 3.68 0.01 0.07 -1.00 114.94 124.30 1kzw s ASN 103 Ca -0.04 -0.82 -0.05 0.00 -0.71 0.00 0.00 52.86 51.24 1kzw s ASN 103 Cb -0.19 -2.04 0.08 0.00 0.41 0.00 0.00 41.25 39.52 1kzw s ASN 103 CO -0.03 -0.33 0.18 -0.89 -1.51 0.00 0.00 177.10 174.52 1kzw s THR 104 N 1.59 3.58 -0.56 1.60 2.01 -0.25 -0.46 115.64 123.16 1kzw s THR 104 Ca 0.03 -1.66 -0.22 0.00 0.31 0.00 0.00 61.69 60.16 1kzw s THR 104 Cb -0.18 -3.26 0.06 0.00 0.01 0.00 0.00 72.50 69.12 1kzw s THR 104 CO 0.07 -0.49 0.81 -0.69 -0.69 0.00 0.00 174.62 173.63 1kzw s VAL 105 N 1.27 4.59 -0.27 3.82 1.01 -0.64 -0.17 120.40 130.02 1kzw s VAL 105 Ca 0.03 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 1kzw s VAL 105 Cb -0.22 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.68 1kzw s VAL 105 CO -0.01 -1.07 0.86 -0.13 0.00 0.00 0.00 175.10 174.75 1kzw s ARG 106 N 3.38 4.12 -0.04 2.72 0.52 -0.11 -1.40 118.95 128.14 1kzw s ARG 106 Ca 0.22 0.89 -0.14 0.00 -0.52 0.00 0.00 55.73 56.18 1kzw s ARG 106 Cb -0.17 -3.68 0.02 0.00 0.52 0.00 0.00 34.95 31.65 1kzw s ARG 106 CO 0.14 -0.61 0.31 -1.83 0.02 0.00 0.00 175.30 173.33 1kzw s GLU 107 N 2.99 0.60 -0.22 3.54 -1.05 -0.60 -0.73 118.70 123.23 1kzw s GLU 107 Ca 0.36 -0.04 -0.17 0.00 -0.15 0.00 0.00 54.97 54.97 1kzw s GLU 107 Cb -0.15 0.27 -0.04 0.00 -0.44 0.00 0.00 34.13 33.78 1kzw s GLU 107 CO 0.09 -0.15 0.44 0.42 0.95 0.00 0.00 175.26 177.01 1kzw s ILE 108 N -0.98 5.15 -0.72 1.83 1.09 -1.26 -0.42 121.20 125.90 1kzw s ILE 108 Ca -0.10 0.77 -0.11 0.00 -1.10 0.00 0.00 60.65 60.10 1kzw s ILE 108 Cb -0.05 -3.77 0.19 0.00 -1.06 0.00 0.00 42.46 37.78 1kzw s ILE 108 CO 0.03 0.20 0.63 -0.63 -0.10 0.00 0.00 174.94 175.07 1kzw s ILE 109 N 1.64 5.01 0.00 2.92 -1.09 0.20 -4.91 121.20 124.97 1kzw s ILE 109 Ca 0.20 -2.42 0.00 0.00 -2.23 0.00 0.00 60.65 56.20 1kzw s ILE 109 Cb -0.15 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1kzw s ILE 109 CO 0.09 -0.95 0.00 0.61 -1.23 0.00 0.00 174.94 173.45 1kzw n GLY 110 N 4.08 1.78 2.56 6.18 0.00 -1.26 -2.85 105.19 115.68 1kzw n GLY 110 Ca 0.08 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 1kzw n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kzw n ASP 111 N 6.76 3.02 -3.61 1.61 8.00 -1.26 -5.06 116.55 126.01 1kzw n ASP 111 Ca 0.00 -3.17 -0.17 0.00 0.71 0.00 0.00 54.79 52.16 1kzw n ASP 111 Cb 0.00 -0.49 -0.15 0.00 -0.02 0.00 0.00 41.12 40.46 1kzw n ASP 111 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1kzw s GLU 112 N -3.35 0.10 -0.35 -1.24 2.12 -1.13 -3.00 118.70 111.84 1kzw s GLU 112 Ca 0.37 0.46 -0.22 0.00 0.36 0.00 0.00 54.97 55.94 1kzw s GLU 112 Cb 0.43 -0.58 0.00 0.00 0.26 0.00 0.00 34.13 34.24 1kzw s GLU 112 CO -0.07 -0.42 0.71 -1.17 -0.54 0.00 0.00 175.26 173.77 1kzw s LEU 113 N 2.31 4.18 -0.24 2.70 2.96 0.32 -0.63 118.68 130.27 1kzw s LEU 113 Ca 0.04 0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 54.19 1kzw s LEU 113 Cb -0.13 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 1kzw s LEU 113 CO -0.08 -0.63 0.08 0.68 -1.32 0.00 0.00 176.35 175.07 1kzw s VAL 114 N 2.87 4.42 -0.44 1.68 -7.23 0.44 -0.66 120.40 121.48 1kzw s VAL 114 Ca 0.28 -0.14 -0.16 0.00 -1.81 0.00 0.00 61.98 60.15 1kzw s VAL 114 Cb -0.14 -3.06 0.04 0.00 0.56 0.00 0.00 36.38 33.78 1kzw s VAL 114 CO 0.15 0.35 0.40 -1.10 -0.31 0.00 0.00 175.10 174.59 1kzw s GLN 115 N 1.49 3.03 -0.67 4.82 -0.21 0.21 -1.56 119.66 126.78 1kzw s GLN 115 Ca 0.06 -0.98 -0.21 0.00 0.02 0.00 0.00 55.36 54.25 1kzw s GLN 115 Cb -0.15 -4.02 0.09 0.00 1.00 0.00 0.00 33.01 29.94 1kzw s GLN 115 CO 0.04 -0.89 0.88 0.99 -2.12 0.00 0.00 175.29 174.19 1kzw s THR 116 N 1.93 4.59 -0.37 -0.19 2.01 -0.49 -1.14 115.64 121.98 1kzw s THR 116 Ca 0.08 -0.80 -0.21 0.00 0.31 0.00 0.00 61.69 61.08 1kzw s THR 116 Cb -0.19 -4.62 0.01 0.00 0.01 0.00 0.00 72.50 67.70 1kzw s THR 116 CO 0.11 -1.33 0.66 -0.31 -0.69 0.00 0.00 174.62 173.05 1kzw s TYR 117 N 3.29 3.13 -0.32 4.92 2.02 0.29 -1.62 117.35 129.07 1kzw s TYR 117 Ca 0.19 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 1kzw s TYR 117 Cb -0.18 -3.20 0.07 0.00 -0.40 0.00 0.00 41.96 38.26 1kzw s TYR 117 CO 0.06 -0.67 0.03 0.08 -1.57 0.00 0.00 175.55 173.48 1kzw s VAL 118 N 2.78 2.74 -0.30 0.71 1.01 0.40 -0.47 120.40 127.26 1kzw s VAL 118 Ca 0.25 -1.77 -0.07 0.00 0.00 0.00 0.00 61.98 60.39 1kzw s VAL 118 Cb -0.14 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1kzw s VAL 118 CO 0.16 -0.31 0.08 -0.47 0.00 0.00 0.00 175.10 174.55 1kzw s TYR 119 N 1.13 3.15 -1.31 5.22 5.04 -1.05 -0.75 117.35 128.78 1kzw s TYR 119 Ca 0.00 -1.04 -0.00 0.00 -2.44 0.00 0.00 57.07 53.59 1kzw s TYR 119 Cb -0.20 -2.25 -0.00 0.00 0.35 0.00 0.00 41.96 39.86 1kzw s TYR 119 CO -0.04 -0.59 0.69 0.39 -1.34 0.00 0.00 175.55 174.65 1kzw n GLU 120 N 4.86 -4.76 0.00 4.97 -0.58 -1.22 -1.90 120.64 122.01 1kzw n GLU 120 Ca -0.14 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1kzw n GLU 120 Cb 0.48 -5.14 0.00 0.00 -0.57 0.00 0.00 31.44 26.21 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 -1.59 2.76 3.54 0.62 0.00 -1.26 -5.02 105.19 104.23 1kzw n GLY 121 Ca -0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.78 4.16 -0.03 1.61 1.01 -0.80 -5.02 120.40 120.55 1kzw s VAL 122 Ca 0.00 0.42 -0.22 0.00 0.00 0.00 0.00 61.98 62.18 1kzw s VAL 122 Cb 0.00 -4.67 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 1kzw s VAL 122 CO 0.00 -1.34 0.66 -0.70 0.00 0.00 0.00 175.10 173.73 1kzw s GLU 123 N 4.55 4.40 -0.09 2.72 2.12 -1.26 -2.54 118.70 128.60 1kzw s GLU 123 Ca 0.34 0.83 -0.00 0.00 0.36 0.00 0.00 54.97 56.50 1kzw s GLU 123 Cb -0.11 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 30.91 1kzw s GLU 123 CO 0.20 0.20 -0.07 0.00 -0.54 0.00 0.00 175.26 175.05 1kzw s ALA 124 N 0.34 1.16 -0.45 6.30 0.00 0.38 -4.77 121.76 124.71 1kzw s ALA 124 Ca 0.35 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.75 1kzw s ALA 124 Cb -0.18 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 22.20 1kzw s ALA 124 CO 0.18 -0.33 0.36 0.15 0.00 0.00 0.00 175.76 176.12 1kzw s LYS 125 N 1.57 2.93 -0.20 0.00 1.02 -0.65 -0.55 119.74 123.87 1kzw s LYS 125 Ca 0.01 -1.30 -0.16 0.00 0.02 0.00 0.00 55.97 54.54 1kzw s LYS 125 Cb -0.13 -4.05 -0.04 0.00 -0.52 0.00 0.00 37.83 33.09 1kzw s LYS 125 CO -0.06 -0.96 0.41 1.03 -0.92 0.00 0.00 175.35 174.85 1kzw s ARG 126 N 1.62 4.19 -0.22 1.68 0.52 -0.29 -0.83 118.95 125.61 1kzw s ARG 126 Ca 0.04 0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 55.48 1kzw s ARG 126 Cb -0.23 -3.53 0.02 0.00 0.52 0.00 0.00 34.95 31.73 1kzw s ARG 126 CO 0.07 -0.03 -0.11 0.42 0.02 0.00 0.00 175.30 175.66 1kzw s ILE 127 N 1.29 2.60 -0.13 1.52 1.01 -0.10 -0.62 121.20 126.78 1kzw s ILE 127 Ca 0.20 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.85 1kzw s ILE 127 Cb -0.15 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 1kzw s ILE 127 CO 0.08 0.31 -0.12 -0.36 0.00 0.00 0.00 174.94 174.86 1kzw s PHE 128 N 1.31 2.84 0.20 3.97 0.40 0.17 -1.50 117.98 125.36 1kzw s PHE 128 Ca 0.01 -0.59 -0.26 0.00 -0.60 0.00 0.00 56.93 55.49 1kzw s PHE 128 Cb -0.15 -1.85 -0.08 0.00 0.51 0.00 0.00 43.02 41.44 1kzw s PHE 128 CO -0.07 -0.18 0.83 0.21 0.70 0.00 0.00 175.22 176.71 1kzw s LYS 129 N 0.32 4.63 -0.33 0.44 2.20 -0.01 -0.53 119.74 126.46 1kzw s LYS 129 Ca -0.10 1.24 -0.28 0.00 -0.36 0.00 0.00 55.97 56.48 1kzw s LYS 129 Cb -0.16 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1kzw s LYS 129 CO 0.05 0.52 2.13 0.21 -0.36 0.00 0.00 175.35 177.90 1kzw s LYS 130 N -1.29 2.92 0.00 4.03 2.47 -1.16 -1.03 119.74 125.68 1kzw s LYS 130 Ca 0.39 1.65 0.00 0.00 -1.56 0.00 0.00 55.97 56.45 1kzw s LYS 130 Cb -0.23 -4.38 0.00 0.00 -1.46 0.00 0.00 37.83 31.76 1kzw s LYS 130 CO 0.27 -2.34 0.00 -3.47 0.16 0.00 0.00 175.35 169.97