#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zhk s GLN 2 N 0.00 1.34 -0.08 6.28 -0.21 -1.26 -4.87 119.66 120.85 1zhk s GLN 2 Ca 0.00 -1.31 0.05 0.00 0.02 0.00 0.00 55.36 54.11 1zhk s GLN 2 Cb 0.00 -1.77 -0.00 0.00 1.00 0.00 0.00 33.01 32.24 1zhk s GLN 2 CO 0.00 0.42 -0.24 1.03 -2.12 0.00 0.00 175.29 174.37 1zhk s ARG 3 N -2.06 2.82 0.36 2.91 0.52 -0.82 -4.91 118.95 117.77 1zhk s ARG 3 Ca 0.13 -0.88 -0.25 0.00 -0.52 0.00 0.00 55.73 54.20 1zhk s ARG 3 Cb -0.10 -2.23 -0.10 0.00 0.52 0.00 0.00 34.95 33.05 1zhk s ARG 3 CO 0.06 0.26 0.98 -0.08 0.02 0.00 0.00 175.30 176.54 1zhk s THR 4 N 0.14 4.05 0.42 0.02 -1.32 -1.26 -1.44 115.64 116.24 1zhk s THR 4 Ca -0.13 1.61 -0.23 0.00 -1.21 0.00 0.00 61.69 61.73 1zhk s THR 4 Cb -0.16 -3.85 -0.09 0.00 -1.51 0.00 0.00 72.50 66.89 1zhk s THR 4 CO 0.07 0.05 1.08 -2.16 -2.21 0.00 0.00 174.62 171.44 1zhk s PRO 5 N -2.32 4.05 0.13 7.08 0.04 -1.26 -4.29 135.00 138.43 1zhk s PRO 5 Ca 0.54 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 1zhk s PRO 5 Cb -0.19 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.81 1zhk s PRO 5 CO 0.24 -0.25 0.47 0.15 0.04 0.00 0.00 177.00 177.65 1zhk s LYS 6 N -2.59 3.83 -0.04 4.56 1.02 0.92 -4.90 119.74 122.53 1zhk s LYS 6 Ca 0.60 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.88 1zhk s LYS 6 Cb -0.23 -2.91 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 1zhk s LYS 6 CO 0.29 0.49 -0.06 0.42 -0.92 0.00 0.00 175.35 175.57 1zhk s ILE 7 N -1.50 0.63 -0.05 2.17 1.01 -1.26 -1.62 121.20 120.58 1zhk s ILE 7 Ca 0.37 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.86 1zhk s ILE 7 Cb -0.14 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.72 1zhk s ILE 7 CO 0.19 0.24 -0.10 -1.10 0.00 0.00 0.00 174.94 174.18 1zhk s GLN 8 N 0.80 1.30 -0.16 2.79 -0.21 -0.67 -4.99 119.66 118.51 1zhk s GLN 8 Ca -0.12 -0.32 0.01 0.00 0.02 0.00 0.00 55.36 54.95 1zhk s GLN 8 Cb -0.14 -1.14 0.01 0.00 1.00 0.00 0.00 33.01 32.73 1zhk s GLN 8 CO 0.01 0.04 -0.18 0.08 -2.12 0.00 0.00 175.29 173.11 1zhk s VAL 9 N 0.56 2.29 0.29 1.09 1.01 -1.26 -0.51 120.40 123.88 1zhk s VAL 9 Ca -0.10 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 1zhk s VAL 9 Cb -0.13 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.32 1zhk s VAL 9 CO 0.02 0.53 0.76 -0.72 0.00 0.00 0.00 175.10 175.69 1zhk s TYR 10 N 1.05 -0.11 0.15 5.22 1.13 -0.39 -4.46 117.35 119.93 1zhk s TYR 10 Ca -0.01 -0.38 0.04 0.00 -1.41 0.00 0.00 57.07 55.30 1zhk s TYR 10 Cb -0.14 0.73 -0.04 0.00 -1.10 0.00 0.00 41.96 41.41 1zhk s TYR 10 CO -0.06 -1.28 0.19 -1.54 -2.51 0.00 0.00 175.55 170.35 1zhk s SER 11 N -2.96 5.86 0.13 -0.18 1.04 -1.26 0.35 113.70 116.67 1zhk s SER 11 Ca 0.12 0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.42 1zhk s SER 11 Cb -0.05 -1.64 -0.01 0.00 0.10 0.00 0.00 66.02 64.41 1zhk s SER 11 CO 0.08 0.08 1.59 -0.09 0.98 0.00 0.00 173.24 175.87 1zhk h ARG 12 N 2.43 0.71 -6.24 4.02 2.43 -1.46 -3.45 114.38 112.83 1zhk h ARG 12 Ca -0.48 -0.21 -0.58 0.00 -0.81 0.00 0.00 59.98 57.90 1zhk h ARG 12 Cb 1.19 -0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 30.56 1zhk h ARG 12 CO 0.66 0.78 -0.69 -1.01 -1.51 0.00 0.00 179.97 178.20 1zhk s HIS 13 N -5.08 2.56 0.28 2.20 3.76 -1.26 -5.03 115.29 112.72 1zhk s HIS 13 Ca -0.13 -0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.22 1zhk s HIS 13 Cb 0.10 -1.14 -0.13 0.00 1.11 0.00 0.00 32.58 32.52 1zhk s HIS 13 CO 0.79 0.64 1.37 -2.30 -0.85 0.00 0.00 174.74 174.39 1zhk n PRO 14 N -0.70 2.09 -2.05 8.40 -0.02 -1.26 -4.85 135.00 136.61 1zhk n PRO 14 Ca -0.06 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 1zhk n PRO 14 Cb 0.59 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1zhk n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1zhk s ALA 15 N -0.42 3.64 -0.18 3.55 0.00 -1.26 -4.99 121.76 122.10 1zhk s ALA 15 Ca 0.63 1.08 -0.02 0.00 0.00 0.00 0.00 51.96 53.65 1zhk s ALA 15 Cb -0.61 -3.65 0.05 0.00 0.00 0.00 0.00 23.12 18.91 1zhk s ALA 15 CO 0.54 -1.02 0.02 -1.21 0.00 0.00 0.00 175.76 174.08 1zhk s GLU 16 N 2.52 0.76 0.26 0.00 2.02 -1.26 -5.12 118.70 117.89 1zhk s GLU 16 Ca 0.70 -0.40 -0.31 0.00 0.02 0.00 0.00 54.97 54.99 1zhk s GLU 16 Cb -0.36 -1.99 -0.13 0.00 0.10 0.00 0.00 34.13 31.74 1zhk s GLU 16 CO 0.30 -0.58 1.39 0.09 0.02 0.00 0.00 175.26 176.48 1zhk n ASN 17 N 5.03 2.77 0.00 -0.19 5.03 -1.26 -1.36 115.26 125.27 1zhk n ASN 17 Ca -0.09 1.15 0.00 0.00 0.87 0.00 0.00 54.58 56.51 1zhk n ASN 17 Cb 0.47 -1.44 0.00 0.00 -1.02 0.00 0.00 39.78 37.79 1zhk n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1zhk n GLY 18 N 1.91 0.97 3.28 7.41 0.00 0.62 -4.97 105.19 114.41 1zhk n GLY 18 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1zhk n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zhk s LYS 19 N -0.21 3.27 0.49 1.61 2.20 -0.47 -4.99 119.74 121.65 1zhk s LYS 19 Ca 0.00 -0.72 -0.21 0.00 -0.36 0.00 0.00 55.97 54.68 1zhk s LYS 19 Cb 0.00 -2.70 -0.09 0.00 -1.51 0.00 0.00 37.83 33.53 1zhk s LYS 19 CO 0.00 -0.00 0.85 0.45 -0.36 0.00 0.00 175.35 176.29 1zhk n SER 20 N 4.14 0.44 -0.72 1.43 2.88 -1.26 -4.11 113.62 116.42 1zhk n SER 20 Ca -0.19 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1zhk n SER 20 Cb 0.52 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 1zhk n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1zhk n ASN 21 N 0.28 0.00 -4.04 -3.46 2.85 -0.11 -4.99 115.26 105.79 1zhk n ASN 21 Ca 0.11 -0.72 -0.24 0.00 -0.11 0.00 0.00 54.58 53.62 1zhk n ASN 21 Cb 0.43 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.29 1zhk n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1zhk s PHE 22 N -7.17 1.42 -0.23 1.20 0.40 -1.26 -1.54 117.98 110.80 1zhk s PHE 22 Ca 0.00 -0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 55.73 1zhk s PHE 22 Cb 0.00 -1.02 -0.05 0.00 0.51 0.00 0.00 43.02 42.46 1zhk s PHE 22 CO 0.00 -0.22 0.24 -1.17 0.70 0.00 0.00 175.22 174.77 1zhk s LEU 23 N 0.46 4.13 0.04 -0.37 2.96 -0.35 -1.02 118.68 124.52 1zhk s LEU 23 Ca -0.10 0.24 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 1zhk s LEU 23 Cb -0.14 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1zhk s LEU 23 CO 0.03 0.02 -0.19 0.20 -1.32 0.00 0.00 176.35 175.09 1zhk s ASN 24 N 1.06 3.73 -0.21 3.68 0.01 0.15 -2.19 114.94 121.17 1zhk s ASN 24 Ca 0.11 -0.43 -0.02 0.00 -0.71 0.00 0.00 52.86 51.82 1zhk s ASN 24 Cb -0.14 -0.58 0.06 0.00 0.41 0.00 0.00 41.25 41.00 1zhk s ASN 24 CO 0.06 0.26 0.00 0.00 -1.51 0.00 0.00 177.10 175.91 1zhk s TYR 26 N 1.69 3.19 -0.11 0.00 5.04 0.34 -0.93 117.35 126.57 1zhk s TYR 26 Ca -0.03 -0.29 -0.02 0.00 -2.44 0.00 0.00 57.07 54.30 1zhk s TYR 26 Cb -0.18 -2.38 -0.03 0.00 0.35 0.00 0.00 41.96 39.72 1zhk s TYR 26 CO -0.07 -0.35 -0.05 0.14 -1.34 0.00 0.00 175.55 173.88 1zhk s VAL 27 N 1.68 3.80 0.27 3.14 -7.23 -0.22 -1.67 120.40 120.17 1zhk s VAL 27 Ca 0.06 -0.41 -0.14 0.00 -1.81 0.00 0.00 61.98 59.67 1zhk s VAL 27 Cb -0.17 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1zhk s VAL 27 CO 0.08 0.54 0.55 -0.94 -0.31 0.00 0.00 175.10 175.02 1zhk s SER 28 N -0.19 -0.07 -1.57 4.85 1.04 -0.64 -0.74 113.70 116.38 1zhk s SER 28 Ca 0.03 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1zhk s SER 28 Cb -0.13 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1zhk s SER 28 CO 0.03 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.63 1zhk n GLY 29 N -0.42 1.43 3.78 7.32 0.00 -0.52 -0.06 105.19 116.73 1zhk n GLY 29 Ca -0.02 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1zhk n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1zhk s PHE 30 N -2.57 3.21 0.00 1.61 -0.12 -1.21 -4.40 117.98 114.51 1zhk s PHE 30 Ca 0.00 0.10 0.00 0.00 -0.05 0.00 0.00 56.93 56.98 1zhk s PHE 30 Cb 0.00 -1.64 -0.00 0.00 -0.63 0.00 0.00 43.02 40.75 1zhk s PHE 30 CO 0.00 0.53 -0.01 -1.58 -0.05 0.00 0.00 175.22 174.11 1zhk s HIS 31 N -1.37 0.06 0.73 3.49 2.46 -0.52 -1.27 115.29 118.87 1zhk s HIS 31 Ca 0.29 -0.03 -0.13 0.00 0.47 0.00 0.00 55.06 55.65 1zhk s HIS 31 Cb -0.12 -0.04 0.04 0.00 -0.13 0.00 0.00 32.58 32.32 1zhk s HIS 31 CO 0.21 -0.01 1.12 -2.14 -2.47 0.00 0.00 174.74 171.46 1zhk s PRO 32 N -0.08 2.36 0.45 2.88 0.01 -1.26 -1.95 135.00 137.40 1zhk s PRO 32 Ca -0.01 1.39 0.27 0.00 0.01 0.00 0.00 61.00 62.66 1zhk s PRO 32 Cb -0.01 -1.89 0.72 0.00 0.01 0.00 0.00 34.50 33.33 1zhk s PRO 32 CO -0.00 -1.60 1.74 0.66 0.01 0.00 0.00 177.00 177.82 1zhk h SER 33 N -0.56 0.00 -2.58 2.53 4.64 -1.99 -3.45 113.55 112.13 1zhk h SER 33 Ca -0.46 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.33 1zhk h SER 33 Cb 1.25 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.40 1zhk h SER 33 CO 0.51 0.00 1.00 0.47 -0.87 0.00 0.00 176.83 177.94 1zhk n ASP 34 N -2.99 3.90 -3.56 4.97 8.00 -1.26 -4.96 116.55 120.65 1zhk n ASP 34 Ca 0.03 1.05 -0.17 0.00 0.71 0.00 0.00 54.79 56.41 1zhk n ASP 34 Cb 0.44 -1.55 -0.06 0.00 -0.02 0.00 0.00 41.12 39.92 1zhk n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1zhk s ILE 35 N 1.32 0.00 -0.14 0.53 2.07 -1.26 -4.65 121.20 119.08 1zhk s ILE 35 Ca 0.76 -0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.97 1zhk s ILE 35 Cb -0.52 -0.96 -0.01 0.00 0.13 0.00 0.00 42.46 41.09 1zhk s ILE 35 CO 0.33 -0.02 -0.15 -1.61 -1.91 0.00 0.00 174.94 171.59 1zhk s GLU 36 N -0.96 3.29 -0.05 3.50 2.02 -0.58 -5.00 118.70 120.92 1zhk s GLU 36 Ca -0.09 -0.73 -0.00 0.00 0.02 0.00 0.00 54.97 54.16 1zhk s GLU 36 Cb -0.01 -2.60 0.03 0.00 0.10 0.00 0.00 34.13 31.65 1zhk s GLU 36 CO 0.08 0.13 0.00 0.08 0.02 0.00 0.00 175.26 175.57 1zhk s VAL 37 N 0.54 0.25 0.05 2.63 1.01 -1.26 -1.56 120.40 122.06 1zhk s VAL 37 Ca -0.10 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1zhk s VAL 37 Cb -0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 1zhk s VAL 37 CO 0.04 0.19 -0.16 -1.81 0.00 0.00 0.00 175.10 173.37 1zhk s ASP 38 N 1.43 1.87 -0.15 3.32 1.01 -0.58 -4.99 116.67 118.58 1zhk s ASP 38 Ca -0.04 -0.51 -0.06 0.00 0.71 0.00 0.00 52.55 52.65 1zhk s ASP 38 Cb -0.13 -0.12 -0.04 0.00 1.01 0.00 0.00 42.92 43.64 1zhk s ASP 38 CO -0.03 0.04 0.08 -0.76 0.21 0.00 0.00 175.17 174.72 1zhk s LEU 39 N -1.30 3.99 0.01 1.23 1.43 -1.26 -0.89 118.68 121.89 1zhk s LEU 39 Ca 0.02 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.43 1zhk s LEU 39 Cb -0.09 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1zhk s LEU 39 CO 0.02 0.29 -0.22 -0.76 0.23 0.00 0.00 176.35 175.91 1zhk s LEU 40 N -0.32 2.37 -0.28 1.79 1.43 0.21 -0.36 118.68 123.52 1zhk s LEU 40 Ca 0.09 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 1zhk s LEU 40 Cb -0.12 -1.42 0.07 0.00 0.03 0.00 0.00 46.19 44.76 1zhk s LEU 40 CO 0.01 0.29 -0.06 -0.75 0.23 0.00 0.00 176.35 176.07 1zhk s LYS 41 N -1.04 2.00 -1.41 1.70 2.20 0.34 -1.77 119.74 121.75 1zhk s LYS 41 Ca 0.12 -1.50 -0.09 0.00 -0.36 0.00 0.00 55.97 54.14 1zhk s LYS 41 Cb -0.10 -2.97 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1zhk s LYS 41 CO 0.02 -0.68 1.06 0.09 -0.36 0.00 0.00 175.35 175.48 1zhk n ASN 42 N 4.38 -6.12 0.00 1.43 3.02 0.19 -2.11 115.26 116.05 1zhk n ASN 42 Ca -0.09 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 1zhk n ASN 42 Cb 0.42 -4.84 0.00 0.00 -0.61 0.00 0.00 39.78 34.75 1zhk n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zhk n GLY 43 N -1.89 2.01 3.81 7.41 0.00 -1.26 -5.04 105.19 110.24 1zhk n GLY 43 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1zhk n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zhk s GLU 44 N -0.36 3.50 0.08 1.61 2.02 -0.90 -5.00 118.70 119.66 1zhk s GLU 44 Ca 0.00 -0.21 -0.31 0.00 0.02 0.00 0.00 54.97 54.48 1zhk s GLU 44 Cb 0.00 -3.15 -0.09 0.00 0.10 0.00 0.00 34.13 30.99 1zhk s GLU 44 CO 0.00 0.67 1.74 0.50 0.02 0.00 0.00 175.26 178.19 1zhk s ARG 45 N -0.72 4.17 0.29 1.61 3.52 -1.26 -0.50 118.95 126.06 1zhk s ARG 45 Ca 0.13 2.45 -0.29 0.00 -0.13 0.00 0.00 55.73 57.89 1zhk s ARG 45 Cb -0.12 -3.64 -0.09 0.00 -1.56 0.00 0.00 34.95 29.54 1zhk s ARG 45 CO 0.03 -0.79 1.03 0.42 -0.81 0.00 0.00 175.30 175.17 1zhk s ILE 46 N 2.83 3.75 -0.09 4.11 1.01 0.51 -4.91 121.20 128.42 1zhk s ILE 46 Ca 0.78 1.68 -0.07 0.00 0.00 0.00 0.00 60.65 63.03 1zhk s ILE 46 Cb -0.42 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 1zhk s ILE 46 CO 0.34 0.33 0.26 -0.33 0.00 0.00 0.00 174.94 175.54 1zhk h GLU 47 N 3.68 -0.11 -2.11 2.79 5.08 -1.93 -3.40 114.58 118.56 1zhk h GLU 47 Ca -0.46 0.01 -0.47 0.00 -1.00 0.00 0.00 59.36 57.43 1zhk h GLU 47 Cb 1.21 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.34 1zhk h GLU 47 CO 0.66 0.05 0.60 1.63 -1.00 0.00 0.00 179.01 180.95 1zhk n LYS 48 N -4.84 2.64 -2.77 2.33 5.02 -1.26 -4.94 118.16 114.34 1zhk n LYS 48 Ca -0.03 -2.22 -0.41 0.00 -2.02 0.00 0.00 58.31 53.63 1zhk n LYS 48 Cb 0.11 -2.20 -0.03 0.00 -0.02 0.00 0.00 35.03 32.89 1zhk n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1zhk s VAL 49 N -1.35 4.83 0.43 -0.18 1.01 -1.26 -4.85 120.40 119.03 1zhk s VAL 49 Ca 0.60 1.97 0.07 0.00 0.00 0.00 0.00 61.98 64.63 1zhk s VAL 49 Cb 0.34 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1zhk s VAL 49 CO -0.16 0.20 0.34 -1.61 0.00 0.00 0.00 175.10 173.87 1zhk s GLU 50 N 0.79 2.44 0.10 2.72 2.02 -0.60 -4.93 118.70 121.24 1zhk s GLU 50 Ca 0.49 -1.64 -0.12 0.00 0.02 0.00 0.00 54.97 53.72 1zhk s GLU 50 Cb -0.21 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.76 1zhk s GLU 50 CO 0.27 -0.22 0.28 -3.38 0.02 0.00 0.00 175.26 172.23 1zhk s HIS 51 N -2.53 -0.01 0.89 1.61 -3.43 -1.26 -1.07 115.29 109.49 1zhk s HIS 51 Ca 0.46 -0.35 -0.12 0.00 -0.80 0.00 0.00 55.06 54.25 1zhk s HIS 51 Cb -0.02 0.08 0.12 0.00 -1.43 0.00 0.00 32.58 31.33 1zhk s HIS 51 CO 0.26 -0.60 1.12 -1.54 -2.00 0.00 0.00 174.74 171.98 1zhk s SER 52 N -2.75 3.67 0.28 7.38 1.04 -0.10 -4.98 113.70 118.24 1zhk s SER 52 Ca 0.03 1.13 -0.29 0.00 0.48 0.00 0.00 55.95 57.31 1zhk s SER 52 Cb 0.03 -1.78 -0.09 0.00 0.10 0.00 0.00 66.02 64.28 1zhk s SER 52 CO -0.11 -2.47 1.01 -1.81 0.98 0.00 0.00 173.24 170.84 1zhk s ASP 53 N -3.87 7.40 0.05 7.02 1.01 -1.26 -4.77 116.67 122.25 1zhk s ASP 53 Ca 0.63 2.06 -0.34 0.00 0.71 0.00 0.00 52.55 55.61 1zhk s ASP 53 Cb -0.15 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 41.04 1zhk s ASP 53 CO 0.54 -0.03 1.74 -0.11 0.21 0.00 0.00 175.17 177.52 1zhk n LEU 54 N 1.12 3.38 -4.19 1.23 7.94 -1.26 -4.93 117.00 120.29 1zhk n LEU 54 Ca -0.01 1.02 -0.16 0.00 -1.11 0.00 0.00 56.01 55.76 1zhk n LEU 54 Cb 0.47 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 42.93 1zhk n LEU 54 CO 0.50 -0.12 -0.04 -0.55 -1.11 0.00 0.00 177.39 176.07 1zhk s SER 55 N 2.52 1.06 0.14 1.96 0.15 -1.25 -5.06 113.70 113.22 1zhk s SER 55 Ca 0.85 -1.56 -0.10 0.00 0.70 0.00 0.00 55.95 55.85 1zhk s SER 55 Cb -0.65 0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1zhk s SER 55 CO 0.44 -1.11 0.27 0.72 1.20 0.00 0.00 173.24 174.76 1zhk s PHE 56 N -3.47 0.26 0.74 3.44 -0.71 -1.26 -2.20 117.98 114.77 1zhk s PHE 56 Ca 0.36 -0.64 -0.04 0.00 -1.04 0.00 0.00 56.93 55.57 1zhk s PHE 56 Cb 0.02 -0.02 0.11 0.00 -1.21 0.00 0.00 43.02 41.93 1zhk s PHE 56 CO 0.21 -0.67 1.03 -1.12 -1.34 0.00 0.00 175.22 173.33 1zhk s SER 57 N -2.92 4.36 0.58 1.98 0.01 0.53 -4.93 113.70 113.31 1zhk s SER 57 Ca 0.12 -0.02 0.27 0.00 1.31 0.00 0.00 55.95 57.63 1zhk s SER 57 Cb 0.04 -0.43 1.67 0.00 0.21 0.00 0.00 66.02 67.51 1zhk s SER 57 CO -0.05 -1.86 2.17 0.11 0.41 0.00 0.00 173.24 174.02 1zhk h LYS 58 N -0.66 0.00 -0.54 12.44 1.57 -2.03 0.56 116.57 127.92 1zhk h LYS 58 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1zhk h LYS 58 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1zhk h LYS 58 CO 0.46 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.94 1zhk n ASP 59 N -3.93 2.58 0.00 0.86 5.68 -1.26 -4.90 116.55 115.57 1zhk n ASP 59 Ca -0.01 -2.18 0.00 0.00 -0.50 0.00 0.00 54.79 52.10 1zhk n ASP 59 Cb 0.21 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 1zhk n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1zhk n TRP 60 N 0.50 0.00 -2.52 2.11 7.02 0.19 -5.01 117.44 119.73 1zhk n TRP 60 Ca 0.13 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.25 1zhk n TRP 60 Cb 0.48 -0.28 -0.04 0.00 -2.42 0.00 0.00 31.31 29.05 1zhk n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1zhk s SER 61 N -3.15 6.68 0.52 -0.99 1.04 -1.26 -4.67 113.70 111.86 1zhk s SER 61 Ca 0.00 2.06 -0.06 0.00 0.48 0.00 0.00 55.95 58.42 1zhk s SER 61 Cb 0.00 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 1zhk s SER 61 CO 0.00 -0.55 0.85 -0.36 0.98 0.00 0.00 173.24 174.16 1zhk s PHE 62 N -1.67 3.55 -0.05 5.02 0.08 -0.39 -0.35 117.98 124.17 1zhk s PHE 62 Ca 0.59 0.90 -0.12 0.00 0.12 0.00 0.00 56.93 58.42 1zhk s PHE 62 Cb -0.22 -2.42 0.02 0.00 -0.57 0.00 0.00 43.02 39.83 1zhk s PHE 62 CO 0.28 -0.41 0.28 1.52 -0.10 0.00 0.00 175.22 176.79 1zhk s TYR 63 N -2.85 -0.21 -0.04 0.36 -0.85 -0.93 -1.43 117.35 111.39 1zhk s TYR 63 Ca 0.49 0.44 -0.12 0.00 -0.52 0.00 0.00 57.07 57.37 1zhk s TYR 63 Cb -0.10 0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.34 1zhk s TYR 63 CO 0.47 -0.27 0.26 -0.51 -1.52 0.00 0.00 175.55 173.98 1zhk s LEU 64 N -0.68 1.04 -0.17 -3.49 1.43 0.08 -3.74 118.68 113.14 1zhk s LEU 64 Ca -0.08 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1zhk s LEU 64 Cb -0.04 1.05 -0.00 0.00 0.03 0.00 0.00 46.19 47.22 1zhk s LEU 64 CO 0.02 -0.33 -0.13 -0.22 0.23 0.00 0.00 176.35 175.92 1zhk s LEU 65 N -0.93 2.57 -0.10 1.79 2.96 -1.26 -1.05 118.68 122.65 1zhk s LEU 65 Ca -0.10 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.35 1zhk s LEU 65 Cb -0.05 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1zhk s LEU 65 CO 0.03 0.07 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.78 1zhk s TYR 66 N 0.93 3.03 0.09 5.38 1.51 -0.11 -0.92 117.35 127.27 1zhk s TYR 66 Ca -0.03 -0.02 -0.14 0.00 -1.01 0.00 0.00 57.07 55.88 1zhk s TYR 66 Cb -0.15 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1zhk s TYR 66 CO -0.01 0.26 0.33 1.52 -1.11 0.00 0.00 175.55 176.54 1zhk s TYR 67 N -0.48 -0.10 0.08 2.71 1.13 -0.24 -0.48 117.35 119.98 1zhk s TYR 67 Ca 0.08 -0.19 -0.22 0.00 -1.41 0.00 0.00 57.07 55.33 1zhk s TYR 67 Cb -0.12 0.14 0.05 0.00 -1.10 0.00 0.00 41.96 40.94 1zhk s TYR 67 CO 0.02 -0.61 0.52 -0.08 -2.51 0.00 0.00 175.55 172.89 1zhk s THR 68 N -3.48 0.03 0.80 -3.49 -1.32 -0.93 -1.55 115.64 105.69 1zhk s THR 68 Ca 0.01 -0.24 -0.11 0.00 -1.21 0.00 0.00 61.69 60.15 1zhk s THR 68 Cb 0.02 -1.01 0.07 0.00 -1.51 0.00 0.00 72.50 70.07 1zhk s THR 68 CO -0.09 -0.13 1.09 -1.61 -2.21 0.00 0.00 174.62 171.66 1zhk s GLU 69 N -2.84 2.03 -0.30 7.08 2.02 -1.26 -1.21 118.70 124.22 1zhk s GLU 69 Ca -0.03 0.87 -0.26 0.00 0.02 0.00 0.00 54.97 55.57 1zhk s GLU 69 Cb -0.00 -1.89 0.19 0.00 0.10 0.00 0.00 34.13 32.53 1zhk s GLU 69 CO -0.05 -1.72 1.45 -0.59 0.02 0.00 0.00 175.26 174.38 1zhk s PHE 70 N -3.01 -0.03 -0.38 1.61 -0.12 -0.59 -4.70 117.98 110.75 1zhk s PHE 70 Ca 0.61 0.07 -0.06 0.00 -0.05 0.00 0.00 56.93 57.51 1zhk s PHE 70 Cb -0.16 0.49 0.07 0.00 -0.63 0.00 0.00 43.02 42.80 1zhk s PHE 70 CO 0.56 -0.02 0.17 0.99 -0.05 0.00 0.00 175.22 176.87 1zhk s THR 71 N -0.14 3.67 0.48 -4.49 2.01 -1.26 -0.93 115.64 114.97 1zhk s THR 71 Ca 0.08 -1.52 -0.24 0.00 0.31 0.00 0.00 61.69 60.32 1zhk s THR 71 Cb -0.04 -3.26 -0.08 0.00 0.01 0.00 0.00 72.50 69.13 1zhk s THR 71 CO -0.15 -0.42 1.32 -2.65 -0.69 0.00 0.00 174.62 172.04 1zhk n PRO 72 N 4.76 1.90 -3.98 4.92 -0.02 -1.26 -4.77 135.00 136.54 1zhk n PRO 72 Ca -0.09 0.68 -0.17 0.00 -2.02 0.00 0.00 63.50 61.90 1zhk n PRO 72 Cb 0.43 -2.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 1zhk n PRO 72 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1zhk n THR 73 N -0.53 0.00 0.02 3.45 -2.24 -1.26 -0.28 114.28 113.44 1zhk n THR 73 Ca 0.08 -2.14 -0.13 0.00 -2.27 0.00 0.00 64.05 59.59 1zhk n THR 73 Cb 0.42 1.09 -0.01 0.00 -2.10 0.00 0.00 70.33 69.72 1zhk n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1zhk h GLU 74 N 0.00 0.56 0.00 -0.78 4.57 -1.98 -3.39 114.58 113.56 1zhk h GLU 74 Ca -0.21 -0.46 -0.04 0.00 -1.18 0.00 0.00 59.36 57.47 1zhk h GLU 74 Cb 1.08 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1zhk h GLU 74 CO 0.31 1.09 -1.32 1.63 -1.18 0.00 0.00 179.01 179.54 1zhk n LYS 75 N -3.87 1.14 -1.67 1.92 4.01 -1.26 -5.01 118.16 113.42 1zhk n LYS 75 Ca -0.06 -0.04 -0.46 0.00 -0.51 0.00 0.00 58.31 57.24 1zhk n LYS 75 Cb 0.73 -1.15 -0.04 0.00 -0.51 0.00 0.00 35.03 34.06 1zhk n LYS 75 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1zhk n ASP 76 N -1.88 3.24 -4.76 4.39 8.00 -1.26 -4.95 116.55 119.32 1zhk n ASP 76 Ca -0.04 1.05 -0.36 0.00 0.71 0.00 0.00 54.79 56.16 1zhk n ASP 76 Cb 0.34 -1.42 -0.08 0.00 -0.02 0.00 0.00 41.12 39.94 1zhk n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1zhk s GLU 77 N 1.75 3.69 0.09 -1.24 2.02 -1.26 -4.75 118.70 119.00 1zhk s GLU 77 Ca 0.82 -0.24 0.08 0.00 0.02 0.00 0.00 54.97 55.66 1zhk s GLU 77 Cb -0.67 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 30.33 1zhk s GLU 77 CO 0.41 0.53 -0.22 0.71 0.02 0.00 0.00 175.26 176.71 1zhk s TYR 78 N -0.34 1.89 0.29 1.61 2.02 -1.26 0.56 117.35 122.11 1zhk s TYR 78 Ca 0.10 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 56.22 1zhk s TYR 78 Cb -0.12 -1.05 0.02 0.00 -0.40 0.00 0.00 41.96 40.41 1zhk s TYR 78 CO 0.01 0.20 0.69 0.00 -1.57 0.00 0.00 175.55 174.88 1zhk s ALA 79 N -1.05 -0.93 -0.11 3.71 0.00 -0.73 -0.17 121.76 122.48 1zhk s ALA 79 Ca 0.08 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1zhk s ALA 79 Cb -0.10 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1zhk s ALA 79 CO 0.04 -0.99 -0.18 0.00 0.00 0.00 0.00 175.76 174.62 1zhk s ARG 81 N 0.78 3.48 -0.05 0.00 3.52 -0.07 -1.22 118.95 125.39 1zhk s ARG 81 Ca -0.10 -0.58 0.05 0.00 -0.13 0.00 0.00 55.73 54.97 1zhk s ARG 81 Cb -0.16 -3.22 -0.01 0.00 -1.56 0.00 0.00 34.95 30.00 1zhk s ARG 81 CO 0.01 -0.23 -0.20 0.08 -0.81 0.00 0.00 175.30 174.15 1zhk s VAL 82 N 1.55 1.68 0.01 7.11 1.01 -0.13 -1.53 120.40 130.10 1zhk s VAL 82 Ca 0.06 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1zhk s VAL 82 Cb -0.15 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1zhk s VAL 82 CO 0.01 0.48 -0.16 0.21 0.00 0.00 0.00 175.10 175.63 1zhk s ASN 83 N -0.03 1.90 0.10 3.32 3.04 -0.60 0.26 114.94 122.93 1zhk s ASN 83 Ca -0.04 -0.36 -0.11 0.00 0.04 0.00 0.00 52.86 52.39 1zhk s ASN 83 Cb -0.12 -0.18 0.01 0.00 -1.54 0.00 0.00 41.25 39.41 1zhk s ASN 83 CO 0.03 0.15 0.26 -2.28 -3.04 0.00 0.00 177.10 172.22 1zhk s HIS 84 N -0.55 0.03 0.57 0.43 2.46 -1.26 -1.53 115.29 115.43 1zhk s HIS 84 Ca 0.05 -0.42 0.27 0.00 0.47 0.00 0.00 55.06 55.42 1zhk s HIS 84 Cb -0.07 0.05 1.57 0.00 -0.13 0.00 0.00 32.58 34.00 1zhk s HIS 84 CO 0.00 -0.59 2.10 -0.24 -2.47 0.00 0.00 174.74 173.53 1zhk h VAL 85 N 2.63 0.59 0.00 0.89 3.04 -1.95 0.69 116.25 122.14 1zhk h VAL 85 Ca -0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1zhk h VAL 85 Cb 1.22 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 1zhk h VAL 85 CO 0.53 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.44 1zhk n THR 86 N -4.00 0.15 -4.10 3.17 -2.24 -1.26 -4.79 114.28 101.21 1zhk n THR 86 Ca 0.02 0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.49 1zhk n THR 86 Cb 0.33 -0.57 -0.09 0.00 -2.10 0.00 0.00 70.33 67.89 1zhk n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1zhk s LEU 87 N -2.99 3.78 0.25 3.22 1.43 0.23 -4.99 118.68 119.62 1zhk s LEU 87 Ca 0.13 0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1zhk s LEU 87 Cb 0.18 -1.93 0.28 0.00 0.03 0.00 0.00 46.19 44.75 1zhk s LEU 87 CO 0.49 0.24 1.78 0.28 0.23 0.00 0.00 176.35 179.38 1zhk h SER 88 N 6.17 0.91 -5.12 2.29 0.02 -1.86 -3.43 113.55 112.53 1zhk h SER 88 Ca -0.41 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.30 1zhk h SER 88 Cb 1.18 -0.24 -0.13 0.00 0.14 0.00 0.00 62.40 63.35 1zhk h SER 88 CO 0.65 0.88 -0.19 0.00 -1.14 0.00 0.00 176.83 177.03 1zhk s GLN 89 N -5.27 1.01 0.13 3.45 -2.07 -1.26 -5.12 119.66 110.53 1zhk s GLN 89 Ca -0.11 -0.84 -0.35 0.00 -1.82 0.00 0.00 55.36 52.25 1zhk s GLN 89 Cb 0.15 0.42 -0.16 0.00 -1.09 0.00 0.00 33.01 32.33 1zhk s GLN 89 CO 0.82 -0.37 1.20 -2.30 -1.32 0.00 0.00 175.29 173.31 1zhk n PRO 90 N -0.17 1.03 -3.60 9.60 -0.02 -1.26 -4.91 135.00 135.66 1zhk n PRO 90 Ca -0.15 0.37 -0.36 0.00 -2.02 0.00 0.00 63.50 61.34 1zhk n PRO 90 Cb 0.63 -1.90 -0.08 0.00 -0.02 0.00 0.00 33.50 32.13 1zhk n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1zhk s LYS 91 N -0.07 4.20 -0.19 -0.52 2.20 0.14 -4.89 119.74 120.61 1zhk s LYS 91 Ca 0.78 -0.05 -0.07 0.00 -0.36 0.00 0.00 55.97 56.27 1zhk s LYS 91 Cb -0.92 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 31.90 1zhk s LYS 91 CO 0.51 0.19 0.05 0.42 -0.36 0.00 0.00 175.35 176.16 1zhk s ILE 92 N 0.64 4.60 -0.22 5.43 -1.09 -1.26 -0.96 121.20 128.34 1zhk s ILE 92 Ca 0.13 -0.10 0.01 0.00 -2.23 0.00 0.00 60.65 58.45 1zhk s ILE 92 Cb -0.13 -3.07 0.05 0.00 -1.58 0.00 0.00 42.46 37.73 1zhk s ILE 92 CO 0.03 0.45 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.43 1zhk s VAL 93 N 0.52 1.50 0.47 2.92 1.01 -0.36 -4.97 120.40 121.49 1zhk s VAL 93 Ca 0.02 -1.08 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 1zhk s VAL 93 Cb -0.13 -1.70 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 1zhk s VAL 93 CO 0.01 0.01 1.02 -0.54 0.00 0.00 0.00 175.10 175.60 1zhk s LYS 94 N 1.43 3.91 -0.02 2.72 1.02 -1.26 -0.49 119.74 127.04 1zhk s LYS 94 Ca -0.04 1.32 -0.30 0.00 0.02 0.00 0.00 55.97 56.98 1zhk s LYS 94 Cb -0.18 -2.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1zhk s LYS 94 CO -0.07 -0.33 0.98 -0.46 -0.92 0.00 0.00 175.35 174.55 1zhk s TRP 95 N -2.00 3.63 -0.25 3.18 -0.00 0.76 -4.86 118.94 119.39 1zhk s TRP 95 Ca 0.66 1.67 0.02 0.00 -0.00 0.00 0.00 56.10 58.45 1zhk s TRP 95 Cb -0.15 -3.13 0.06 0.00 -0.00 0.00 0.00 33.47 30.25 1zhk s TRP 95 CO 0.19 -0.06 -0.09 0.34 -0.00 0.00 0.00 176.95 177.33 1zhk s ASP 96 N 1.03 4.19 0.00 5.86 -1.08 -1.26 -4.80 116.67 120.60 1zhk s ASP 96 Ca 0.51 -1.29 0.00 0.00 -0.52 0.00 0.00 52.55 51.25 1zhk s ASP 96 Cb -0.20 -1.42 0.00 0.00 -1.46 0.00 0.00 42.92 39.84 1zhk s ASP 96 CO 0.26 -0.20 0.81 -2.11 0.52 0.00 0.00 175.17 174.45 1zhk n ARG 97 N 4.52 0.00 -0.57 4.34 1.85 -1.26 -0.40 116.66 125.15 1zhk n ARG 97 Ca -0.14 0.32 0.08 0.00 -1.00 0.00 0.00 57.85 57.11 1zhk n ARG 97 Cb 0.43 -1.52 0.30 0.00 -1.05 0.00 0.00 32.46 30.62 1zhk n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1zhk n ASP 98 N -1.31 4.39 0.00 2.89 8.00 -1.26 -4.85 116.55 124.41 1zhk n ASP 98 Ca 0.00 -2.93 0.00 0.00 0.71 0.00 0.00 54.79 52.57 1zhk n ASP 98 Cb 0.02 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 1zhk n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04