#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kzk s GLN 2 N 0.00 2.25 -0.21 0.54 -0.21 -1.26 -5.11 119.66 115.67 1kzk s GLN 2 Ca 0.00 -1.36 -0.11 0.00 0.02 0.00 0.00 55.36 53.90 1kzk s GLN 2 Cb 0.00 -3.02 -0.05 0.00 1.00 0.00 0.00 33.01 30.94 1kzk s GLN 2 CO 0.00 -0.62 0.20 0.42 -2.12 0.00 0.00 175.29 173.17 1kzk s ILE 3 N 1.14 5.35 0.55 1.08 1.01 -1.26 -5.09 121.20 123.97 1kzk s ILE 3 Ca -0.06 0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.74 1kzk s ILE 3 Cb -0.20 -3.54 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 1kzk s ILE 3 CO -0.04 0.37 1.00 0.42 0.00 0.00 0.00 174.94 176.69 1kzk s THR 4 N 0.76 4.59 -0.24 2.92 -4.23 -1.26 -5.05 115.64 113.14 1kzk s THR 4 Ca 0.10 1.11 0.12 0.00 -1.18 0.00 0.00 61.69 61.84 1kzk s THR 4 Cb -0.13 -3.77 0.49 0.00 1.34 0.00 0.00 72.50 70.43 1kzk s THR 4 CO 0.03 -0.84 1.41 0.18 -0.54 0.00 0.00 174.62 174.85 1kzk n LEU 5 N -1.96 3.79 0.17 4.79 4.77 -1.26 -4.58 117.00 122.73 1kzk n LEU 5 Ca 0.06 -3.49 0.02 0.00 -0.03 0.00 0.00 56.01 52.57 1kzk n LEU 5 Cb 0.54 -0.58 0.30 0.00 -2.33 0.00 0.00 43.42 41.34 1kzk n LEU 5 CO 0.50 1.04 0.64 -0.50 -1.33 0.00 0.00 177.39 177.74 1kzk h TRP 6 N 1.13 0.00 -2.03 -1.77 4.06 -2.06 -3.44 115.95 111.83 1kzk h TRP 6 Ca 0.12 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.47 1kzk h TRP 6 Cb 1.49 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.51 1kzk h TRP 6 CO 0.75 0.46 -0.68 0.15 -3.56 0.00 0.00 178.44 175.56 1kzk s LYS 7 N -3.91 1.78 0.19 0.49 1.02 -1.26 -5.11 119.74 112.93 1kzk s LYS 7 Ca -0.02 -1.92 -0.33 0.00 0.02 0.00 0.00 55.97 53.72 1kzk s LYS 7 Cb 0.13 -1.63 -0.14 0.00 -0.52 0.00 0.00 37.83 35.67 1kzk s LYS 7 CO 0.73 0.13 1.47 0.54 -0.92 0.00 0.00 175.35 177.31 1kzk n ARG 8 N -0.76 1.99 -2.22 1.68 1.74 -1.26 -4.87 116.66 112.96 1kzk n ARG 8 Ca -0.05 0.72 -0.41 0.00 -0.77 0.00 0.00 57.85 57.33 1kzk n ARG 8 Cb 0.63 -2.42 -0.01 0.00 -1.02 0.00 0.00 32.46 29.65 1kzk n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1kzk n PRO 9 N 2.70 2.87 -3.34 5.56 -0.04 -1.26 -4.96 135.00 136.53 1kzk n PRO 9 Ca 0.15 -2.94 -0.38 0.00 -0.04 0.00 0.00 63.50 60.28 1kzk n PRO 9 Cb 0.29 -3.43 -0.06 0.00 -0.04 0.00 0.00 33.50 30.26 1kzk n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1kzk s LEU 10 N 4.13 4.45 0.11 1.53 1.43 -1.26 -1.52 118.68 127.55 1kzk s LEU 10 Ca 0.53 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 1kzk s LEU 10 Cb 0.07 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1kzk s LEU 10 CO 0.04 0.22 -0.01 0.68 0.23 0.00 0.00 176.35 177.51 1kzk s VAL 11 N -0.65 0.40 0.05 -1.59 -7.23 -0.16 -4.95 120.40 106.27 1kzk s VAL 11 Ca 0.27 -1.91 -0.27 0.00 -1.81 0.00 0.00 61.98 58.27 1kzk s VAL 11 Cb -0.18 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 1kzk s VAL 11 CO 0.16 -0.70 0.84 -0.89 -0.31 0.00 0.00 175.10 174.19 1kzk s THR 12 N -3.83 4.71 0.27 5.32 2.01 -1.26 -0.75 115.64 122.10 1kzk s THR 12 Ca 0.17 1.79 0.12 0.00 0.31 0.00 0.00 61.69 64.08 1kzk s THR 12 Cb 0.07 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 1kzk s THR 12 CO -0.02 0.32 -0.20 0.27 -0.69 0.00 0.00 174.62 174.29 1kzk s ILE 13 N 0.15 2.48 -0.10 1.82 -4.36 0.19 -2.29 121.20 119.10 1kzk s ILE 13 Ca 0.42 -2.35 0.04 0.00 -0.26 0.00 0.00 60.65 58.50 1kzk s ILE 13 Cb -0.21 -2.29 0.00 0.00 1.25 0.00 0.00 42.46 41.21 1kzk s ILE 13 CO 0.25 -0.36 -0.23 -0.60 0.24 0.00 0.00 174.94 174.24 1kzk s ARG 14 N -3.40 3.00 -0.07 0.37 3.52 -0.42 -1.32 118.95 120.63 1kzk s ARG 14 Ca 0.29 -0.86 -0.03 0.00 -0.13 0.00 0.00 55.73 55.00 1kzk s ARG 14 Cb -0.05 -2.28 0.04 0.00 -1.56 0.00 0.00 34.95 31.09 1kzk s ARG 14 CO 0.14 0.15 0.16 -1.50 -0.81 0.00 0.00 175.30 173.44 1kzk s ILE 15 N 0.41 -0.05 -1.99 4.11 2.07 -0.56 -1.31 121.20 123.89 1kzk s ILE 15 Ca -0.17 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1kzk s ILE 15 Cb -0.18 -0.25 0.00 0.00 0.13 0.00 0.00 42.46 42.16 1kzk s ILE 15 CO 0.07 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.78 1kzk n GLY 16 N 4.16 0.64 2.23 1.50 0.00 -1.26 -1.17 105.19 111.29 1kzk n GLY 16 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1kzk n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kzk n GLY 17 N -0.73 2.28 3.82 -0.02 0.00 -1.26 -5.05 105.19 104.23 1kzk n GLY 17 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1kzk n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kzk s GLN 18 N -0.30 3.26 -0.02 1.61 -1.52 -0.32 -5.07 119.66 117.30 1kzk s GLN 18 Ca 0.00 -0.32 -0.17 0.00 -1.95 0.00 0.00 55.36 52.92 1kzk s GLN 18 Cb 0.00 -3.01 -0.05 0.00 -0.22 0.00 0.00 33.01 29.72 1kzk s GLN 18 CO 0.00 0.71 0.48 -0.51 -0.25 0.00 0.00 175.29 175.72 1kzk s LEU 19 N -1.39 4.43 0.05 2.90 1.43 -1.26 -1.50 118.68 123.34 1kzk s LEU 19 Ca 0.19 1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 54.29 1kzk s LEU 19 Cb -0.12 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1kzk s LEU 19 CO 0.10 0.21 -0.03 -0.54 0.23 0.00 0.00 176.35 176.31 1kzk s LYS 20 N -0.56 0.61 0.00 1.70 1.02 -0.44 -5.00 119.74 117.07 1kzk s LYS 20 Ca 0.26 -1.21 -0.16 0.00 0.02 0.00 0.00 55.97 54.87 1kzk s LYS 20 Cb -0.17 0.21 -0.06 0.00 -0.52 0.00 0.00 37.83 37.29 1kzk s LYS 20 CO 0.14 -0.11 0.46 -1.21 -0.92 0.00 0.00 175.35 173.71 1kzk s GLU 21 N -3.88 4.06 0.03 1.68 0.41 -1.26 -0.63 118.70 119.10 1kzk s GLU 21 Ca 0.07 0.51 -0.10 0.00 -0.41 0.00 0.00 54.97 55.03 1kzk s GLU 21 Cb 0.08 -3.26 0.01 0.00 -1.78 0.00 0.00 34.13 29.18 1kzk s GLU 21 CO -0.10 0.60 0.21 0.00 -0.49 0.00 0.00 175.26 175.48 1kzk s ALA 22 N -0.83 -0.43 -0.20 5.21 0.00 0.07 -4.61 121.76 120.97 1kzk s ALA 22 Ca 0.25 -0.17 -0.17 0.00 0.00 0.00 0.00 51.96 51.87 1kzk s ALA 22 Cb -0.17 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1kzk s ALA 22 CO 0.14 -0.34 0.45 -1.17 0.00 0.00 0.00 175.76 174.85 1kzk s LEU 23 N -1.91 4.15 -0.56 0.00 2.96 -0.02 -0.99 118.68 122.31 1kzk s LEU 23 Ca -0.07 0.59 -0.27 0.00 -0.22 0.00 0.00 54.13 54.16 1kzk s LEU 23 Cb -0.02 -2.60 0.03 0.00 0.50 0.00 0.00 46.19 44.10 1kzk s LEU 23 CO -0.02 -0.12 1.12 -0.76 -1.32 0.00 0.00 176.35 175.24 1kzk s LEU 24 N 1.44 3.65 -0.36 -0.68 1.43 -0.58 -0.76 118.68 122.82 1kzk s LEU 24 Ca 0.21 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 1kzk s LEU 24 Cb -0.15 -3.10 0.10 0.00 0.03 0.00 0.00 46.19 43.07 1kzk s LEU 24 CO 0.09 -1.39 0.07 -0.62 0.23 0.00 0.00 176.35 174.73 1kzk s ASP 25 N 2.88 4.68 0.35 2.29 -1.08 -0.54 -4.79 116.67 120.45 1kzk s ASP 25 Ca 0.40 -2.22 0.27 0.00 -0.52 0.00 0.00 52.55 50.48 1kzk s ASP 25 Cb -0.09 -1.58 1.05 0.00 -1.46 0.00 0.00 42.92 40.84 1kzk s ASP 25 CO 0.24 -0.37 1.80 0.71 0.52 0.00 0.00 175.17 178.07 1kzk h THR 26 N 6.49 0.00 -0.01 1.71 1.35 -1.94 -2.71 112.91 117.80 1kzk h THR 26 Ca -0.05 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1kzk h THR 26 Cb 1.01 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1kzk h THR 26 CO 0.53 0.00 -0.10 0.61 -0.25 0.00 0.00 175.52 176.31 1kzk n GLY 27 N 0.21 -0.61 3.66 5.82 0.00 -1.26 -4.84 105.19 108.17 1kzk n GLY 27 Ca 0.02 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 1kzk n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kzk s ALA 28 N -2.30 3.61 0.24 4.61 0.00 -1.02 -4.99 121.76 121.91 1kzk s ALA 28 Ca 0.32 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1kzk s ALA 28 Cb 0.20 -2.32 0.26 0.00 0.00 0.00 0.00 23.12 21.26 1kzk s ALA 28 CO 0.44 -0.18 1.68 -0.44 0.00 0.00 0.00 175.76 177.25 1kzk h ASP 29 N 7.47 0.72 -2.12 0.00 3.32 -1.88 -0.77 116.42 123.16 1kzk h ASP 29 Ca -0.38 -0.24 -0.59 0.00 0.02 0.00 0.00 57.03 55.84 1kzk h ASP 29 Cb 1.17 -0.20 -0.12 0.00 0.22 0.00 0.00 39.33 40.40 1kzk h ASP 29 CO 0.66 0.90 -0.70 -1.81 -1.72 0.00 0.00 179.24 176.58 1kzk s ASP 30 N -6.74 3.93 -0.17 6.45 1.01 -1.26 -2.93 116.67 116.96 1kzk s ASP 30 Ca -0.09 -0.96 -0.20 0.00 0.71 0.00 0.00 52.55 52.01 1kzk s ASP 30 Cb 0.13 -0.47 -0.03 0.00 1.01 0.00 0.00 42.92 43.56 1kzk s ASP 30 CO 0.82 -0.06 0.58 -0.89 0.21 0.00 0.00 175.17 175.84 1kzk s THR 31 N -2.48 5.07 -0.08 -1.27 2.01 -1.26 -3.31 115.64 114.32 1kzk s THR 31 Ca 0.32 1.12 -0.01 0.00 0.31 0.00 0.00 61.69 63.42 1kzk s THR 31 Cb -0.03 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.60 1kzk s THR 31 CO 0.17 0.18 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.57 1kzk s VAL 32 N 1.49 0.52 0.12 3.82 1.01 -0.52 -1.23 120.40 125.62 1kzk s VAL 32 Ca 0.28 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.36 1kzk s VAL 32 Cb -0.16 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1kzk s VAL 32 CO 0.11 0.28 -0.10 -0.76 0.00 0.00 0.00 175.10 174.63 1kzk s LEU 33 N 1.84 3.01 0.87 3.92 1.43 0.06 -0.71 118.68 129.10 1kzk s LEU 33 Ca 0.04 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 1kzk s LEU 33 Cb -0.12 -1.79 0.10 0.00 0.03 0.00 0.00 46.19 44.41 1kzk s LEU 33 CO -0.05 0.16 1.09 -0.62 0.23 0.00 0.00 176.35 177.16 1kzk n GLU 34 N 0.59 -0.14 -1.59 1.70 1.02 -1.26 -1.85 120.64 119.11 1kzk n GLU 34 Ca -0.13 0.03 -0.58 0.00 -0.02 0.00 0.00 57.16 56.47 1kzk n GLU 34 Cb 0.53 -2.34 -0.07 0.00 -0.02 0.00 0.00 31.44 29.53 1kzk n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1kzk n GLU 35 N -3.50 0.55 -3.65 3.49 4.07 -1.25 -4.70 120.64 115.65 1kzk n GLU 35 Ca 0.12 0.20 -0.08 0.00 -0.06 0.00 0.00 57.16 57.35 1kzk n GLU 35 Cb 0.51 -1.77 -0.02 0.00 -0.06 0.00 0.00 31.44 30.10 1kzk n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1kzk s MET 36 N 1.01 1.31 -0.05 5.31 0.23 -1.26 -5.07 119.30 120.78 1kzk s MET 36 Ca 0.91 -0.64 -0.21 0.00 -1.03 0.00 0.00 55.69 54.72 1kzk s MET 36 Cb -1.16 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 32.60 1kzk s MET 36 CO 0.58 -0.59 0.62 -0.80 -2.03 0.00 0.00 175.02 172.80 1kzk s ASN 37 N -2.80 6.93 0.05 -1.18 0.02 -1.26 -5.07 114.94 111.63 1kzk s ASN 37 Ca 0.08 1.11 0.05 0.00 -1.02 0.00 0.00 52.86 53.07 1kzk s ASN 37 Cb -0.03 -2.37 -0.02 0.00 0.02 0.00 0.00 41.25 38.85 1kzk s ASN 37 CO -0.02 -0.01 -0.13 -0.76 0.02 0.00 0.00 177.10 176.19 1kzk s LEU 38 N 0.40 2.22 0.56 0.60 1.43 -1.26 -5.03 118.68 117.60 1kzk s LEU 38 Ca 0.33 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 1kzk s LEU 38 Cb -0.17 -0.52 -0.06 0.00 0.03 0.00 0.00 46.19 45.46 1kzk s LEU 38 CO 0.16 -0.03 1.01 -2.16 0.23 0.00 0.00 176.35 175.55 1kzk s PRO 39 N -1.42 3.79 0.53 1.29 0.04 -1.26 -4.96 135.00 133.02 1kzk s PRO 39 Ca -0.01 0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1kzk s PRO 39 Cb -0.09 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1kzk s PRO 39 CO 0.02 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1kzk n GLY 40 N -2.06 -1.82 3.82 0.56 0.00 -1.26 -4.99 105.19 99.45 1kzk n GLY 40 Ca 0.06 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 1kzk n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kzk s LYS 41 N 0.00 3.89 0.09 1.61 1.02 -1.26 -5.09 119.74 120.00 1kzk s LYS 41 Ca 0.00 1.10 -0.10 0.00 0.02 0.00 0.00 55.97 56.99 1kzk s LYS 41 Cb 0.00 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1kzk s LYS 41 CO 0.00 -0.33 0.22 1.67 -0.92 0.00 0.00 175.35 175.99 1kzk s TRP 42 N -2.39 0.09 0.05 3.18 1.48 -1.26 -4.46 118.94 115.63 1kzk s TRP 42 Ca 0.62 -0.48 0.01 0.00 -1.06 0.00 0.00 56.10 55.18 1kzk s TRP 42 Cb -0.12 -0.01 -0.03 0.00 -1.16 0.00 0.00 33.47 32.15 1kzk s TRP 42 CO 0.26 -0.56 -0.05 0.15 -4.06 0.00 0.00 176.95 172.69 1kzk s LYS 43 N -3.74 0.54 0.54 3.25 1.02 -1.00 -4.95 119.74 115.40 1kzk s LYS 43 Ca 0.04 -0.91 -0.20 0.00 0.02 0.00 0.00 55.97 54.91 1kzk s LYS 43 Cb 0.04 -0.07 -0.05 0.00 -0.52 0.00 0.00 37.83 37.22 1kzk s LYS 43 CO -0.11 -0.02 1.18 -2.14 -0.92 0.00 0.00 175.35 173.35 1kzk s PRO 44 N -2.40 3.30 0.06 -1.68 0.02 -1.26 -1.16 135.00 131.88 1kzk s PRO 44 Ca -0.04 1.78 -0.14 0.00 0.02 0.00 0.00 61.00 62.61 1kzk s PRO 44 Cb -0.04 -2.09 0.02 0.00 0.02 0.00 0.00 34.50 32.41 1kzk s PRO 44 CO -0.03 -0.93 0.32 0.21 -0.33 0.00 0.00 177.00 176.24 1kzk s LYS 45 N -3.13 0.88 -0.03 5.54 2.20 -0.85 -4.85 119.74 119.50 1kzk s LYS 45 Ca 0.72 -0.59 0.06 0.00 -0.36 0.00 0.00 55.97 55.80 1kzk s LYS 45 Cb -0.29 0.38 -0.01 0.00 -1.51 0.00 0.00 37.83 36.40 1kzk s LYS 45 CO 0.33 -0.30 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.17 1kzk s MET 46 N -2.96 1.84 0.10 4.03 -1.94 -1.26 -0.94 119.30 118.17 1kzk s MET 46 Ca -0.02 -0.74 0.04 0.00 -1.71 0.00 0.00 55.69 53.26 1kzk s MET 46 Cb 0.00 -1.70 -0.04 0.00 2.01 0.00 0.00 34.83 35.11 1kzk s MET 46 CO -0.06 0.40 -0.11 0.96 -0.01 0.00 0.00 175.02 176.20 1kzk s ILE 47 N -0.33 1.04 -0.01 2.53 -4.36 -0.89 -4.99 121.20 114.19 1kzk s ILE 47 Ca 0.04 -1.64 0.05 0.00 -0.26 0.00 0.00 60.65 58.83 1kzk s ILE 47 Cb -0.10 -1.38 -0.01 0.00 1.25 0.00 0.00 42.46 42.22 1kzk s ILE 47 CO 0.00 -0.51 -0.16 -0.83 0.24 0.00 0.00 174.94 173.68 1kzk s GLY 48 N -2.42 0.78 0.00 6.27 0.00 -1.26 -1.30 107.32 109.39 1kzk s GLY 48 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1kzk s GLY 48 CO 0.01 -0.54 0.00 0.61 0.00 0.00 0.00 173.10 173.17 1kzk n GLY 49 N 2.73 5.31 0.24 0.20 0.00 -0.55 -4.99 105.19 108.14 1kzk n GLY 49 Ca -0.15 -1.48 0.04 0.00 0.00 0.00 0.00 46.02 44.43 1kzk n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1kzk h ILE 50 N 0.00 1.14 -0.01 -0.61 6.09 -2.01 -2.87 117.51 119.23 1kzk h ILE 50 Ca 0.00 -0.61 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 1kzk h ILE 50 Cb 0.00 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.46 1kzk h ILE 50 CO 0.00 0.19 -0.63 0.61 -3.07 0.00 0.00 178.15 175.25 1kzk n GLY 51 N -1.03 -0.29 0.00 8.18 0.00 -1.26 -5.10 105.19 105.69 1kzk n GLY 51 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1kzk n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kzk n GLY 52 N 1.42 0.60 3.88 -0.02 0.00 -1.09 -5.11 105.19 104.88 1kzk n GLY 52 Ca 0.07 -2.15 -0.34 0.00 0.00 0.00 0.00 46.02 43.60 1kzk n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kzk s PHE 53 N -0.90 3.56 0.16 1.61 0.40 -1.26 -1.48 117.98 120.08 1kzk s PHE 53 Ca 0.00 0.63 0.05 0.00 -0.60 0.00 0.00 56.93 57.01 1kzk s PHE 53 Cb 0.00 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 1kzk s PHE 53 CO 0.00 0.55 -0.11 0.96 0.70 0.00 0.00 175.22 177.33 1kzk s ILE 54 N -1.39 1.29 -0.07 0.64 -4.36 -0.42 -5.00 121.20 111.89 1kzk s ILE 54 Ca 0.32 -2.09 -0.19 0.00 -0.26 0.00 0.00 60.65 58.42 1kzk s ILE 54 Cb -0.13 -1.92 -0.05 0.00 1.25 0.00 0.00 42.46 41.61 1kzk s ILE 54 CO 0.18 -0.69 0.52 -0.54 0.24 0.00 0.00 174.94 174.66 1kzk s LYS 55 N -3.73 4.30 0.14 0.37 1.02 -1.26 -2.09 119.74 118.49 1kzk s LYS 55 Ca 0.19 0.57 0.01 0.00 0.02 0.00 0.00 55.97 56.75 1kzk s LYS 55 Cb 0.02 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1kzk s LYS 55 CO 0.02 0.27 0.00 0.14 -0.92 0.00 0.00 175.35 174.86 1kzk s VAL 56 N 0.22 0.53 -0.19 3.17 -7.23 -0.12 -4.48 120.40 112.30 1kzk s VAL 56 Ca 0.28 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.41 1kzk s VAL 56 Cb -0.16 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 1kzk s VAL 56 CO 0.13 -0.57 0.11 -0.13 -0.31 0.00 0.00 175.10 174.33 1kzk s ARG 57 N -3.93 4.10 -0.31 4.82 0.52 -0.20 -2.01 118.95 121.95 1kzk s ARG 57 Ca 0.21 -0.25 -0.11 0.00 -0.52 0.00 0.00 55.73 55.06 1kzk s ARG 57 Cb 0.06 -3.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 1kzk s ARG 57 CO 0.01 0.31 0.18 -1.14 0.02 0.00 0.00 175.30 174.68 1kzk s GLN 58 N 0.30 3.51 -0.19 3.54 0.74 -0.31 -1.18 119.66 126.08 1kzk s GLN 58 Ca 0.07 -0.61 -0.04 0.00 0.05 0.00 0.00 55.36 54.83 1kzk s GLN 58 Cb -0.11 -3.63 -0.02 0.00 1.10 0.00 0.00 33.01 30.35 1kzk s GLN 58 CO -0.01 -0.36 -0.04 0.71 -0.55 0.00 0.00 175.29 175.03 1kzk s TYR 59 N 1.67 2.97 0.13 1.67 1.51 -0.47 -2.37 117.35 122.46 1kzk s TYR 59 Ca 0.06 -0.69 -0.01 0.00 -1.01 0.00 0.00 57.07 55.42 1kzk s TYR 59 Cb -0.17 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 1kzk s TYR 59 CO 0.08 -0.36 0.30 -0.51 -1.11 0.00 0.00 175.55 173.96 1kzk s ASP 60 N 1.07 6.39 -1.18 2.29 1.01 -1.26 -0.81 116.67 124.17 1kzk s ASP 60 Ca 0.01 0.35 -0.02 0.00 0.71 0.00 0.00 52.55 53.60 1kzk s ASP 60 Cb -0.15 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.80 1kzk s ASP 60 CO 0.00 0.07 1.00 1.67 0.21 0.00 0.00 175.17 178.12 1kzk n GLN 61 N -0.16 -6.65 -3.60 8.23 7.27 -1.17 -4.90 117.38 116.41 1kzk n GLN 61 Ca -0.05 0.81 -0.38 0.00 0.07 0.00 0.00 57.00 57.45 1kzk n GLN 61 Cb 0.52 -5.72 -0.11 0.00 2.41 0.00 0.00 30.24 27.35 1kzk n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1kzk s ILE 62 N -3.33 5.32 0.28 1.69 -1.09 -0.27 -4.73 121.20 119.06 1kzk s ILE 62 Ca 0.14 0.19 -0.30 0.00 -2.23 0.00 0.00 60.65 58.45 1kzk s ILE 62 Cb -0.06 -3.53 -0.10 0.00 -1.58 0.00 0.00 42.46 37.19 1kzk s ILE 62 CO 0.70 0.27 1.40 -2.84 -1.23 0.00 0.00 174.94 173.24 1kzk s PRO 63 N 1.61 4.29 -0.03 2.79 0.02 -1.26 -1.70 135.00 140.72 1kzk s PRO 63 Ca 0.07 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 1kzk s PRO 63 Cb -0.15 -3.09 0.03 0.00 0.02 0.00 0.00 34.50 31.30 1kzk s PRO 63 CO 0.10 -0.36 0.06 0.08 -0.33 0.00 0.00 177.00 176.54 1kzk s VAL 64 N -0.38 -0.09 -0.23 3.83 1.01 -0.06 -4.38 120.40 120.10 1kzk s VAL 64 Ca 0.56 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.71 1kzk s VAL 64 Cb -0.41 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1kzk s VAL 64 CO 0.47 0.12 0.22 -0.70 0.00 0.00 0.00 175.10 175.21 1kzk s GLU 65 N 1.50 4.10 -0.26 2.72 2.12 -0.42 -1.32 118.70 127.15 1kzk s GLU 65 Ca -0.04 -0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.16 1kzk s GLU 65 Cb -0.13 -3.54 0.06 0.00 0.26 0.00 0.00 34.13 30.79 1kzk s GLU 65 CO -0.03 0.04 -0.06 0.42 -0.54 0.00 0.00 175.26 175.08 1kzk s ILE 66 N 1.12 1.83 -1.57 -3.70 1.01 0.10 -1.30 121.20 118.69 1kzk s ILE 66 Ca 0.11 -1.49 -0.15 0.00 0.00 0.00 0.00 60.65 59.12 1kzk s ILE 66 Cb -0.14 -2.06 0.10 0.00 0.01 0.00 0.00 42.46 40.37 1kzk s ILE 66 CO 0.05 -0.13 0.94 0.00 0.00 0.00 0.00 174.94 175.80 1kzk n GLY 68 N -1.63 1.22 3.52 0.00 0.00 -1.26 -5.04 105.19 102.00 1kzk n GLY 68 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1kzk n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kzk s HIS 69 N -2.81 2.96 0.06 1.61 4.02 -0.52 -5.10 115.29 115.52 1kzk s HIS 69 Ca 0.00 -0.18 -0.26 0.00 1.02 0.00 0.00 55.06 55.64 1kzk s HIS 69 Cb 0.00 -1.82 -0.06 0.00 -1.02 0.00 0.00 32.58 29.68 1kzk s HIS 69 CO 0.00 0.13 0.81 -1.59 1.02 0.00 0.00 174.74 175.11 1kzk s LYS 70 N -0.22 4.55 0.11 1.40 0.00 -1.26 -0.72 119.74 123.59 1kzk s LYS 70 Ca 0.03 1.16 0.03 0.00 0.00 0.00 0.00 55.97 57.19 1kzk s LYS 70 Cb -0.13 -3.36 -0.04 0.00 0.00 0.00 0.00 37.83 34.30 1kzk s LYS 70 CO 0.03 0.27 -0.09 0.00 0.00 0.00 0.00 175.35 175.56 1kzk s ALA 71 N -0.07 1.16 -0.15 0.59 0.00 -0.43 -4.68 121.76 118.18 1kzk s ALA 71 Ca 0.40 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 1kzk s ALA 71 Cb -0.21 0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.06 1kzk s ALA 71 CO 0.25 -0.13 0.18 0.42 0.00 0.00 0.00 175.76 176.48 1kzk s ILE 72 N -3.12 -0.26 0.00 0.00 1.01 -1.26 -0.88 121.20 116.68 1kzk s ILE 72 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1kzk s ILE 72 Cb 0.02 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.97 1kzk s ILE 72 CO -0.01 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.45 1kzk n GLY 73 N 5.32 1.42 3.72 6.18 0.00 -0.69 -4.79 105.19 116.35 1kzk n GLY 73 Ca -0.05 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1kzk n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kzk s THR 74 N -2.38 4.41 -0.11 2.61 2.01 -1.26 -1.11 115.64 119.81 1kzk s THR 74 Ca 0.00 1.89 0.02 0.00 0.31 0.00 0.00 61.69 63.90 1kzk s THR 74 Cb 0.00 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1kzk s THR 74 CO 0.00 0.23 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.31 1kzk s VAL 75 N 0.40 1.60 -0.01 3.82 1.01 0.01 -4.53 120.40 122.70 1kzk s VAL 75 Ca 0.51 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 1kzk s VAL 75 Cb -0.25 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1kzk s VAL 75 CO 0.30 0.46 0.31 -0.76 0.00 0.00 0.00 175.10 175.41 1kzk s LEU 76 N 0.93 4.40 -0.09 3.92 1.43 -0.36 -1.37 118.68 127.54 1kzk s LEU 76 Ca -0.07 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 1kzk s LEU 76 Cb -0.15 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.50 1kzk s LEU 76 CO -0.01 0.29 -0.18 -0.69 0.23 0.00 0.00 176.35 175.99 1kzk s VAL 77 N -1.20 1.65 -2.03 -1.59 1.01 -0.32 -0.76 120.40 117.16 1kzk s VAL 77 Ca 0.25 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1kzk s VAL 77 Cb -0.14 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1kzk s VAL 77 CO 0.13 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1kzk n GLY 78 N 3.73 -0.67 2.18 4.51 0.00 -0.77 -1.03 105.19 113.14 1kzk n GLY 78 Ca -0.20 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 1kzk n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kzk n PRO 79 N 0.00 2.68 -2.55 1.61 -0.04 -1.26 -3.95 135.00 131.49 1kzk n PRO 79 Ca 0.00 -1.51 -0.37 0.00 -0.04 0.00 0.00 63.50 61.57 1kzk n PRO 79 Cb 0.00 -2.36 -0.04 0.00 -0.04 0.00 0.00 33.50 31.06 1kzk n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1kzk s THR 80 N 1.70 3.72 0.43 0.52 -1.32 -1.26 -4.97 115.64 114.46 1kzk s THR 80 Ca 0.65 1.38 0.22 0.00 -1.21 0.00 0.00 61.69 62.73 1kzk s THR 80 Cb 0.24 -3.75 0.24 0.00 -1.51 0.00 0.00 72.50 67.72 1kzk s THR 80 CO -0.03 0.07 2.03 1.55 -2.21 0.00 0.00 174.62 176.03 1kzk h PRO 81 N 2.74 0.00 -3.50 7.08 0.13 -1.97 -3.45 132.00 133.03 1kzk h PRO 81 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1kzk h PRO 81 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1kzk h PRO 81 CO 0.63 0.16 -0.21 0.14 -0.23 0.00 0.00 178.00 178.48 1kzk s VAL 82 N -4.37 0.10 0.04 1.56 -7.23 -1.26 -5.10 120.40 104.15 1kzk s VAL 82 Ca -0.03 -0.80 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 1kzk s VAL 82 Cb 0.14 -1.17 -0.08 0.00 0.56 0.00 0.00 36.38 35.83 1kzk s VAL 82 CO 0.63 -0.44 1.70 0.20 -0.31 0.00 0.00 175.10 176.88 1kzk s ASN 83 N -2.64 6.59 -0.16 4.85 0.01 -1.26 -4.65 114.94 117.69 1kzk s ASN 83 Ca 0.02 2.47 0.01 0.00 -0.71 0.00 0.00 52.86 54.65 1kzk s ASN 83 Cb 0.02 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.14 1kzk s ASN 83 CO -0.09 -0.92 -0.18 -0.63 -1.51 0.00 0.00 177.10 173.76 1kzk s ILE 84 N 3.14 2.35 -0.38 0.60 1.01 0.11 -0.84 121.20 127.18 1kzk s ILE 84 Ca 0.76 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 60.37 1kzk s ILE 84 Cb -0.39 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.11 1kzk s ILE 84 CO 0.33 0.53 0.46 -0.63 0.00 0.00 0.00 174.94 175.63 1kzk s ILE 85 N 0.95 5.06 0.37 2.92 -1.09 0.06 -1.43 121.20 128.04 1kzk s ILE 85 Ca -0.03 -0.02 0.06 0.00 -2.23 0.00 0.00 60.65 58.43 1kzk s ILE 85 Cb -0.15 -3.98 0.06 0.00 -1.58 0.00 0.00 42.46 36.81 1kzk s ILE 85 CO -0.04 -0.30 0.51 0.61 -1.23 0.00 0.00 174.94 174.49 1kzk n GLY 86 N 4.98 1.94 0.29 6.18 0.00 -1.21 -1.47 105.19 115.91 1kzk n GLY 86 Ca -0.07 -2.19 0.09 0.00 0.00 0.00 0.00 46.02 43.85 1kzk n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1kzk h ARG 87 N 0.00 0.19 -0.84 1.61 3.08 -1.18 -0.91 114.38 116.32 1kzk h ARG 87 Ca -0.17 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 59.95 1kzk h ARG 87 Cb 0.79 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.74 1kzk h ARG 87 CO 0.25 0.12 0.55 -2.95 -1.07 0.00 0.00 179.97 176.87 1kzk h ASN 88 N 0.19 0.76 0.15 7.04 -1.07 -1.80 -1.93 115.58 118.92 1kzk h ASN 88 Ca 0.09 0.02 -0.33 0.00 0.07 0.00 0.00 56.30 56.15 1kzk h ASN 88 Cb 0.14 -0.15 -0.06 0.00 -2.07 0.00 0.00 38.32 36.18 1kzk h ASN 88 CO -0.02 0.47 -2.17 0.18 0.07 0.00 0.00 177.43 175.96 1kzk n LEU 89 N -4.51 0.25 -0.29 6.14 4.77 -0.83 -4.15 117.00 118.38 1kzk n LEU 89 Ca 0.14 0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 56.23 1kzk n LEU 89 Cb 0.28 0.38 0.19 0.00 -2.33 0.00 0.00 43.42 41.94 1kzk n LEU 89 CO 0.32 0.44 1.26 -0.07 -1.33 0.00 0.00 177.39 178.01 1kzk h LEU 90 N 0.00 0.99 -0.99 2.23 3.38 -1.05 -2.01 115.31 117.87 1kzk h LEU 90 Ca -0.45 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1kzk h LEU 90 Cb 2.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.59 1kzk h LEU 90 CO 0.04 0.72 0.12 0.74 0.09 0.00 0.00 178.44 180.16 1kzk h THR 91 N 1.17 1.23 -0.21 0.22 2.02 -1.55 -1.65 112.91 114.14 1kzk h THR 91 Ca 0.31 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 1kzk h THR 91 Cb -0.13 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1kzk h THR 91 CO -0.07 0.32 -0.10 1.56 0.37 0.00 0.00 175.52 177.60 1kzk h GLN 92 N 0.82 0.34 -0.09 6.66 4.20 -1.52 -2.44 115.11 123.07 1kzk h GLN 92 Ca 0.18 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1kzk h GLN 92 Cb 0.32 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1kzk h GLN 92 CO 0.00 0.45 0.00 0.44 -0.67 0.00 0.00 178.83 179.05 1kzk n ILE 93 N -4.26 0.10 -0.92 2.54 -5.35 -1.11 -4.94 119.36 105.41 1kzk n ILE 93 Ca -0.00 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 1kzk n ILE 93 Cb 0.27 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 1kzk n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kzk n GLY 94 N 1.21 0.70 3.73 3.28 0.00 -0.92 -5.03 105.19 108.16 1kzk n GLY 94 Ca 0.17 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1kzk n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kzk s THR 96 N 0.37 1.21 0.08 0.00 -4.23 -1.26 -4.71 115.64 107.10 1kzk s THR 96 Ca 0.53 -1.94 -0.16 0.00 -1.18 0.00 0.00 61.69 58.95 1kzk s THR 96 Cb -0.29 -1.72 -0.06 0.00 1.34 0.00 0.00 72.50 71.76 1kzk s THR 96 CO 0.32 -0.64 0.51 -0.76 -0.54 0.00 0.00 174.62 173.51 1kzk s LEU 97 N -2.92 4.44 -0.04 4.79 1.43 -1.26 -5.10 118.68 120.02 1kzk s LEU 97 Ca 0.14 1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 54.32 1kzk s LEU 97 Cb -0.00 -2.93 0.03 0.00 0.03 0.00 0.00 46.19 43.31 1kzk s LEU 97 CO 0.01 0.23 0.08 0.20 0.23 0.00 0.00 176.35 177.10 1kzk s ASN 98 N -1.34 -0.02 0.00 2.29 0.01 -1.26 -5.29 114.94 109.33 1kzk s ASN 98 Ca 0.31 0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.61 1kzk s ASN 98 Cb -0.17 0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.55 1kzk s ASN 98 CO 0.17 -0.12 0.00 2.22 -1.51 0.00 0.00 177.10 177.87