#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zhl s GLN 2 N 0.00 2.32 -0.08 6.28 -0.21 -1.26 -4.91 119.66 121.80 1zhl s GLN 2 Ca 0.00 -1.40 0.03 0.00 0.02 0.00 0.00 55.36 54.01 1zhl s GLN 2 Cb 0.00 -2.18 0.01 0.00 1.00 0.00 0.00 33.01 31.84 1zhl s GLN 2 CO 0.00 0.37 -0.16 1.03 -2.12 0.00 0.00 175.29 174.40 1zhl s ARG 3 N -3.67 2.19 0.41 2.91 0.52 0.07 -4.95 118.95 116.42 1zhl s ARG 3 Ca 0.31 -0.58 -0.22 0.00 -0.52 0.00 0.00 55.73 54.72 1zhl s ARG 3 Cb -0.06 -1.74 -0.10 0.00 0.52 0.00 0.00 34.95 33.56 1zhl s ARG 3 CO 0.20 0.07 0.96 -0.08 0.02 0.00 0.00 175.30 176.47 1zhl s THR 4 N 0.59 4.28 0.38 0.02 -1.32 -1.26 -1.48 115.64 116.85 1zhl s THR 4 Ca -0.15 1.54 -0.25 0.00 -1.21 0.00 0.00 61.69 61.61 1zhl s THR 4 Cb -0.16 -3.69 -0.09 0.00 -1.51 0.00 0.00 72.50 67.05 1zhl s THR 4 CO 0.05 -0.19 1.09 -2.16 -2.21 0.00 0.00 174.62 171.20 1zhl s PRO 5 N -2.89 4.21 0.20 7.08 0.04 -1.26 -4.24 135.00 138.14 1zhl s PRO 5 Ca 0.59 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 63.16 1zhl s PRO 5 Cb -0.12 -2.69 -0.07 0.00 0.04 0.00 0.00 34.50 31.66 1zhl s PRO 5 CO 0.17 -0.13 0.57 0.15 0.04 0.00 0.00 177.00 177.79 1zhl s LYS 6 N -2.26 3.91 -0.04 4.56 -0.14 0.11 -4.90 119.74 120.97 1zhl s LYS 6 Ca 0.55 0.42 0.01 0.00 -1.36 0.00 0.00 55.97 55.60 1zhl s LYS 6 Cb -0.26 -2.76 0.02 0.00 -1.68 0.00 0.00 37.83 33.15 1zhl s LYS 6 CO 0.33 0.38 -0.03 0.42 -0.76 0.00 0.00 175.35 175.68 1zhl s ILE 7 N -1.66 0.46 -0.05 2.17 1.01 -1.26 -1.93 121.20 119.94 1zhl s ILE 7 Ca 0.43 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 61.03 1zhl s ILE 7 Cb -0.13 -0.50 0.01 0.00 0.01 0.00 0.00 42.46 41.85 1zhl s ILE 7 CO 0.20 0.21 -0.09 -1.10 0.00 0.00 0.00 174.94 174.16 1zhl s GLN 8 N 0.94 1.20 -0.14 2.79 -0.21 -0.64 -4.99 119.66 118.60 1zhl s GLN 8 Ca -0.11 -0.29 0.01 0.00 0.02 0.00 0.00 55.36 55.00 1zhl s GLN 8 Cb -0.14 -1.07 0.00 0.00 1.00 0.00 0.00 33.01 32.80 1zhl s GLN 8 CO -0.00 0.03 -0.18 0.08 -2.12 0.00 0.00 175.29 173.09 1zhl s VAL 9 N 0.58 2.42 0.24 1.09 1.01 -1.26 -0.60 120.40 123.88 1zhl s VAL 9 Ca -0.10 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 1zhl s VAL 9 Cb -0.13 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 34.30 1zhl s VAL 9 CO 0.02 0.53 0.85 -0.72 0.00 0.00 0.00 175.10 175.78 1zhl s TYR 10 N 0.77 -0.09 0.11 5.22 1.13 -0.37 -4.51 117.35 119.60 1zhl s TYR 10 Ca -0.07 -0.35 0.03 0.00 -1.41 0.00 0.00 57.07 55.27 1zhl s TYR 10 Cb -0.16 0.71 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 1zhl s TYR 10 CO 0.00 -1.11 0.17 -1.54 -2.51 0.00 0.00 175.55 170.56 1zhl s SER 11 N -3.01 5.88 0.08 -0.18 1.04 -1.26 0.50 113.70 116.74 1zhl s SER 11 Ca 0.13 0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.42 1zhl s SER 11 Cb -0.04 -1.67 -0.10 0.00 0.10 0.00 0.00 66.02 64.32 1zhl s SER 11 CO 0.06 0.12 1.53 -0.09 0.98 0.00 0.00 173.24 175.84 1zhl h ARG 12 N 2.76 0.35 -6.20 4.02 2.43 -1.53 -3.45 114.38 112.76 1zhl h ARG 12 Ca -0.47 -0.10 -0.56 0.00 -0.81 0.00 0.00 59.98 58.04 1zhl h ARG 12 Cb 1.18 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.60 1zhl h ARG 12 CO 0.68 0.52 -0.64 -1.01 -1.51 0.00 0.00 179.97 178.01 1zhl s HIS 13 N -5.09 2.71 0.24 2.20 3.76 -1.26 -5.04 115.29 112.81 1zhl s HIS 13 Ca -0.14 -0.22 -0.31 0.00 -0.15 0.00 0.00 55.06 54.24 1zhl s HIS 13 Cb 0.07 -1.20 -0.14 0.00 1.11 0.00 0.00 32.58 32.42 1zhl s HIS 13 CO 0.73 0.62 1.35 -2.30 -0.85 0.00 0.00 174.74 174.28 1zhl n PRO 14 N -0.91 1.88 -2.10 8.40 -0.02 -1.26 -4.86 135.00 136.13 1zhl n PRO 14 Ca -0.06 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 1zhl n PRO 14 Cb 0.59 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1zhl n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1zhl s ALA 15 N -0.18 3.63 -0.18 3.55 0.00 -1.26 -5.00 121.76 122.31 1zhl s ALA 15 Ca 0.68 1.07 -0.03 0.00 0.00 0.00 0.00 51.96 53.69 1zhl s ALA 15 Cb -0.68 -3.61 0.06 0.00 0.00 0.00 0.00 23.12 18.89 1zhl s ALA 15 CO 0.51 -0.88 0.03 -1.21 0.00 0.00 0.00 175.76 174.21 1zhl s GLU 16 N 2.03 0.70 0.07 0.00 2.02 -1.26 -5.11 118.70 117.15 1zhl s GLU 16 Ca 0.67 -0.38 -0.36 0.00 0.02 0.00 0.00 54.97 54.93 1zhl s GLU 16 Cb -0.36 -1.99 -0.15 0.00 0.10 0.00 0.00 34.13 31.72 1zhl s GLU 16 CO 0.29 -0.59 1.48 0.09 0.02 0.00 0.00 175.26 176.55 1zhl n ASN 17 N 5.05 2.29 0.00 -0.19 3.02 -1.26 -1.01 115.26 123.16 1zhl n ASN 17 Ca -0.09 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1zhl n ASN 17 Cb 0.47 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1zhl n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zhl n GLY 18 N 3.05 1.40 3.56 7.41 0.00 0.58 -4.98 105.19 116.21 1zhl n GLY 18 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1zhl n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zhl s LYS 19 N -0.50 3.81 0.46 1.61 2.20 -0.18 -4.98 119.74 122.16 1zhl s LYS 19 Ca 0.00 -0.44 -0.24 0.00 -0.36 0.00 0.00 55.97 54.94 1zhl s LYS 19 Cb 0.00 -3.05 -0.09 0.00 -1.51 0.00 0.00 37.83 33.18 1zhl s LYS 19 CO 0.00 0.25 1.16 0.45 -0.36 0.00 0.00 175.35 176.85 1zhl n SER 20 N 3.54 1.91 -0.61 1.43 2.88 -1.26 -4.09 113.62 117.41 1zhl n SER 20 Ca -0.17 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1zhl n SER 20 Cb 0.52 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1zhl n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1zhl n ASN 21 N -0.01 0.00 -3.95 -3.46 2.85 0.73 -4.97 115.26 106.44 1zhl n ASN 21 Ca 0.09 -0.61 -0.22 0.00 -0.11 0.00 0.00 54.58 53.73 1zhl n ASN 21 Cb 0.41 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.27 1zhl n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1zhl s PHE 22 N -5.11 1.03 -0.21 1.20 0.40 -1.26 -1.59 117.98 112.44 1zhl s PHE 22 Ca 0.00 -0.33 -0.14 0.00 -0.60 0.00 0.00 56.93 55.85 1zhl s PHE 22 Cb 0.00 -0.82 -0.04 0.00 0.51 0.00 0.00 43.02 42.67 1zhl s PHE 22 CO 0.00 -0.22 0.32 -1.17 0.70 0.00 0.00 175.22 174.85 1zhl s LEU 23 N 0.76 4.15 0.04 -0.37 2.96 0.58 -1.18 118.68 125.62 1zhl s LEU 23 Ca -0.13 0.39 0.07 0.00 -0.22 0.00 0.00 54.13 54.25 1zhl s LEU 23 Cb -0.15 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 1zhl s LEU 23 CO 0.02 -0.03 -0.18 0.20 -1.32 0.00 0.00 176.35 175.04 1zhl s ASN 24 N 1.03 3.79 -0.19 3.68 0.01 0.18 -1.96 114.94 121.47 1zhl s ASN 24 Ca 0.15 -0.44 -0.01 0.00 -0.71 0.00 0.00 52.86 51.85 1zhl s ASN 24 Cb -0.14 -0.60 0.05 0.00 0.41 0.00 0.00 41.25 40.97 1zhl s ASN 24 CO 0.07 0.25 -0.01 0.00 -1.51 0.00 0.00 177.10 175.90 1zhl s TYR 26 N 1.70 3.18 -0.13 0.00 5.04 0.23 -0.79 117.35 126.58 1zhl s TYR 26 Ca -0.01 -0.49 -0.02 0.00 -2.44 0.00 0.00 57.07 54.10 1zhl s TYR 26 Cb -0.17 -2.35 -0.03 0.00 0.35 0.00 0.00 41.96 39.76 1zhl s TYR 26 CO -0.07 -0.42 -0.04 0.14 -1.34 0.00 0.00 175.55 173.81 1zhl s VAL 27 N 1.63 3.89 0.28 3.14 -7.23 -0.50 -1.63 120.40 119.99 1zhl s VAL 27 Ca 0.05 -0.37 -0.09 0.00 -1.81 0.00 0.00 61.98 59.76 1zhl s VAL 27 Cb -0.17 -2.67 -0.00 0.00 0.56 0.00 0.00 36.38 34.10 1zhl s VAL 27 CO 0.07 0.53 0.47 -0.94 -0.31 0.00 0.00 175.10 174.91 1zhl s SER 28 N -0.04 0.26 -1.03 4.85 1.04 -0.81 -0.70 113.70 117.28 1zhl s SER 28 Ca 0.01 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1zhl s SER 28 Cb -0.13 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1zhl s SER 28 CO 0.03 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.66 1zhl n GLY 29 N -0.44 1.04 3.88 7.32 0.00 -0.62 0.05 105.19 116.42 1zhl n GLY 29 Ca -0.01 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1zhl n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1zhl s PHE 30 N -2.09 3.28 -0.28 1.61 -0.12 -1.20 -4.40 117.98 114.77 1zhl s PHE 30 Ca 0.00 -0.03 -0.18 0.00 -0.05 0.00 0.00 56.93 56.67 1zhl s PHE 30 Cb 0.00 -1.51 0.11 0.00 -0.63 0.00 0.00 43.02 40.99 1zhl s PHE 30 CO 0.00 0.49 0.83 -1.58 -0.05 0.00 0.00 175.22 174.92 1zhl s HIS 31 N -1.96 -0.80 1.29 3.49 2.46 -0.55 -0.71 115.29 118.52 1zhl s HIS 31 Ca 0.33 1.65 -0.22 0.00 0.47 0.00 0.00 55.06 57.29 1zhl s HIS 31 Cb -0.09 0.47 0.32 0.00 -0.13 0.00 0.00 32.58 33.15 1zhl s HIS 31 CO 0.26 -0.39 1.08 -1.25 -2.47 0.00 0.00 174.74 171.97 1zhl s PRO 32 N 1.27 -1.96 0.34 2.88 0.04 -1.26 -0.76 135.00 135.56 1zhl s PRO 32 Ca -0.07 -0.17 0.17 0.00 0.04 0.00 0.00 61.00 60.96 1zhl s PRO 32 Cb -0.04 -1.52 0.54 0.00 0.04 0.00 0.00 34.50 33.52 1zhl s PRO 32 CO -0.15 -4.17 1.67 0.66 0.04 0.00 0.00 177.00 175.05 1zhl h SER 33 N -2.91 0.00 -2.62 6.66 4.64 -1.99 -3.45 113.55 113.89 1zhl h SER 33 Ca -0.42 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.38 1zhl h SER 33 Cb 1.29 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.43 1zhl h SER 33 CO 0.27 0.45 1.05 -1.81 -0.87 0.00 0.00 176.83 175.92 1zhl s ASP 34 N -6.52 6.41 -0.10 4.97 1.01 -1.26 -4.96 116.67 116.22 1zhl s ASP 34 Ca 0.00 2.80 -0.26 0.00 0.71 0.00 0.00 52.55 55.81 1zhl s ASP 34 Cb 0.11 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.52 1zhl s ASP 34 CO 0.71 -0.98 0.61 -0.51 0.21 0.00 0.00 175.17 175.21 1zhl s ILE 35 N 1.90 0.01 -0.14 0.77 2.07 -1.26 -4.64 121.20 119.91 1zhl s ILE 35 Ca 0.77 -0.08 0.01 0.00 -1.41 0.00 0.00 60.65 59.95 1zhl s ILE 35 Cb -0.48 -0.90 -0.00 0.00 0.13 0.00 0.00 42.46 41.21 1zhl s ILE 35 CO 0.34 -0.04 -0.18 -1.61 -1.91 0.00 0.00 174.94 171.54 1zhl s GLU 36 N -0.74 3.18 -0.05 3.50 0.41 -0.50 -5.00 118.70 119.49 1zhl s GLU 36 Ca -0.08 -0.78 0.02 0.00 -0.41 0.00 0.00 54.97 53.71 1zhl s GLU 36 Cb -0.02 -2.53 0.02 0.00 -1.78 0.00 0.00 34.13 29.82 1zhl s GLU 36 CO 0.06 0.08 -0.08 0.08 -0.49 0.00 0.00 175.26 174.92 1zhl s VAL 37 N 0.63 0.79 0.05 2.63 1.01 -1.26 -1.03 120.40 123.21 1zhl s VAL 37 Ca -0.09 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1zhl s VAL 37 Cb -0.16 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1zhl s VAL 37 CO 0.03 0.28 -0.20 -1.81 0.00 0.00 0.00 175.10 173.40 1zhl s ASP 38 N 0.81 2.37 -0.14 3.32 1.01 -0.05 -4.97 116.67 119.01 1zhl s ASP 38 Ca -0.13 -0.53 -0.04 0.00 0.71 0.00 0.00 52.55 52.56 1zhl s ASP 38 Cb -0.15 -0.18 -0.03 0.00 1.01 0.00 0.00 42.92 43.57 1zhl s ASP 38 CO 0.02 0.13 -0.00 -0.76 0.21 0.00 0.00 175.17 174.76 1zhl s LEU 39 N -1.27 3.47 0.03 1.23 1.43 -1.26 -0.33 118.68 121.99 1zhl s LEU 39 Ca 0.06 0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.23 1zhl s LEU 39 Cb -0.09 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1zhl s LEU 39 CO 0.02 0.24 -0.14 -0.76 0.23 0.00 0.00 176.35 175.93 1zhl s LEU 40 N -0.04 2.79 -0.23 1.79 1.43 0.13 -0.77 118.68 123.78 1zhl s LEU 40 Ca 0.03 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1zhl s LEU 40 Cb -0.13 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.53 1zhl s LEU 40 CO 0.02 0.26 -0.08 -0.75 0.23 0.00 0.00 176.35 176.03 1zhl s LYS 41 N -1.47 1.84 -1.46 1.70 2.20 0.40 -1.90 119.74 121.06 1zhl s LYS 41 Ca 0.16 -1.00 -0.10 0.00 -0.36 0.00 0.00 55.97 54.67 1zhl s LYS 41 Cb -0.11 -2.58 0.06 0.00 -1.51 0.00 0.00 37.83 33.69 1zhl s LYS 41 CO 0.06 -0.54 0.94 0.09 -0.36 0.00 0.00 175.35 175.54 1zhl n ASN 42 N 4.64 -4.08 0.00 1.43 3.02 0.18 -1.61 115.26 118.84 1zhl n ASN 42 Ca -0.13 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1zhl n ASN 42 Cb 0.44 -4.06 0.00 0.00 -0.61 0.00 0.00 39.78 35.55 1zhl n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zhl n GLY 43 N -1.69 2.92 3.86 7.41 0.00 -1.26 -5.02 105.19 111.40 1zhl n GLY 43 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1zhl n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zhl s GLU 44 N -0.19 3.84 0.17 1.61 2.02 -0.64 -4.99 118.70 120.51 1zhl s GLU 44 Ca 0.00 0.29 -0.30 0.00 0.02 0.00 0.00 54.97 54.97 1zhl s GLU 44 Cb 0.00 -3.03 -0.08 0.00 0.10 0.00 0.00 34.13 31.11 1zhl s GLU 44 CO 0.00 0.57 1.32 0.50 0.02 0.00 0.00 175.26 177.68 1zhl s ARG 45 N -1.74 4.37 0.03 1.61 3.52 -1.26 -0.46 118.95 125.03 1zhl s ARG 45 Ca 0.32 2.04 -0.25 0.00 -0.13 0.00 0.00 55.73 57.71 1zhl s ARG 45 Cb -0.15 -3.22 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 1zhl s ARG 45 CO 0.17 -0.30 0.76 0.42 -0.81 0.00 0.00 175.30 175.55 1zhl s ILE 46 N 0.45 4.78 0.52 4.11 1.01 0.05 -4.88 121.20 127.23 1zhl s ILE 46 Ca 0.59 1.62 -0.05 0.00 0.00 0.00 0.00 60.65 62.81 1zhl s ILE 46 Cb -0.36 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 37.98 1zhl s ILE 46 CO 0.35 0.34 0.82 -1.61 0.00 0.00 0.00 174.94 174.85 1zhl s GLU 47 N 0.09 3.33 -1.50 2.79 2.02 -1.26 -4.36 118.70 119.81 1zhl s GLU 47 Ca 0.39 0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.50 1zhl s GLU 47 Cb -0.20 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.69 1zhl s GLU 47 CO 0.22 -0.37 0.00 1.63 0.02 0.00 0.00 175.26 176.77 1zhl n LYS 48 N -2.37 -1.04 -2.12 1.61 5.02 -1.26 -4.97 118.16 113.03 1zhl n LYS 48 Ca 0.02 0.97 -0.41 0.00 -2.02 0.00 0.00 58.31 56.86 1zhl n LYS 48 Cb 0.56 -5.11 -0.03 0.00 -0.02 0.00 0.00 35.03 30.43 1zhl n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1zhl s VAL 49 N -2.57 2.99 0.31 -0.18 1.01 -1.26 -4.97 120.40 115.73 1zhl s VAL 49 Ca 0.00 0.80 0.06 0.00 0.00 0.00 0.00 61.98 62.84 1zhl s VAL 49 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1zhl s VAL 49 CO 0.00 0.11 0.42 -1.61 0.00 0.00 0.00 175.10 174.02 1zhl s GLU 50 N 0.04 3.16 0.08 2.72 2.02 -0.57 -4.92 118.70 121.22 1zhl s GLU 50 Ca 0.59 -0.97 -0.10 0.00 0.02 0.00 0.00 54.97 54.51 1zhl s GLU 50 Cb -0.39 -2.80 0.01 0.00 0.10 0.00 0.00 34.13 31.04 1zhl s GLU 50 CO 0.38 0.17 0.22 -3.38 0.02 0.00 0.00 175.26 172.68 1zhl s HIS 51 N -2.14 0.06 0.83 1.61 -3.43 -1.26 -0.53 115.29 110.43 1zhl s HIS 51 Ca 0.42 -0.40 -0.12 0.00 -0.80 0.00 0.00 55.06 54.16 1zhl s HIS 51 Cb -0.09 -0.00 0.09 0.00 -1.43 0.00 0.00 32.58 31.14 1zhl s HIS 51 CO 0.30 -0.53 1.11 -1.54 -2.00 0.00 0.00 174.74 172.08 1zhl s SER 52 N -2.59 4.23 0.28 7.38 1.04 -0.14 -4.98 113.70 118.93 1zhl s SER 52 Ca 0.01 1.22 -0.29 0.00 0.48 0.00 0.00 55.95 57.37 1zhl s SER 52 Cb 0.03 -1.91 -0.09 0.00 0.10 0.00 0.00 66.02 64.14 1zhl s SER 52 CO -0.09 -2.13 1.04 -1.81 0.98 0.00 0.00 173.24 171.24 1zhl s ASP 53 N -3.93 7.34 0.07 7.02 1.01 -1.26 -4.76 116.67 122.16 1zhl s ASP 53 Ca 0.62 2.14 -0.34 0.00 0.71 0.00 0.00 52.55 55.67 1zhl s ASP 53 Cb -0.14 -2.62 -0.13 0.00 1.01 0.00 0.00 42.92 41.04 1zhl s ASP 53 CO 0.54 -0.08 1.67 -0.11 0.21 0.00 0.00 175.17 177.40 1zhl n LEU 54 N 1.15 3.14 -4.14 1.23 7.94 -1.26 -4.95 117.00 120.11 1zhl n LEU 54 Ca -0.01 1.05 -0.14 0.00 -1.11 0.00 0.00 56.01 55.80 1zhl n LEU 54 Cb 0.46 -1.40 -0.06 0.00 0.53 0.00 0.00 43.42 42.95 1zhl n LEU 54 CO 0.52 -0.25 0.02 -0.55 -1.11 0.00 0.00 177.39 176.02 1zhl s SER 55 N 1.95 0.77 0.16 1.96 0.15 -1.25 -5.07 113.70 112.37 1zhl s SER 55 Ca 0.84 -1.44 -0.09 0.00 0.70 0.00 0.00 55.95 55.96 1zhl s SER 55 Cb -0.70 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.17 1zhl s SER 55 CO 0.43 -1.13 0.28 0.72 1.20 0.00 0.00 173.24 174.74 1zhl s PHE 56 N -3.51 0.42 0.71 3.44 -0.71 -1.26 -2.24 117.98 114.83 1zhl s PHE 56 Ca 0.33 -0.78 -0.02 0.00 -1.04 0.00 0.00 56.93 55.42 1zhl s PHE 56 Cb 0.02 -0.07 0.11 0.00 -1.21 0.00 0.00 43.02 41.87 1zhl s PHE 56 CO 0.18 -0.72 0.98 -1.12 -1.34 0.00 0.00 175.22 173.21 1zhl s SER 57 N -2.97 4.43 0.56 1.98 0.01 0.41 -4.94 113.70 113.19 1zhl s SER 57 Ca 0.18 -0.22 0.25 0.00 1.31 0.00 0.00 55.95 57.47 1zhl s SER 57 Cb 0.03 -0.23 1.57 0.00 0.21 0.00 0.00 66.02 67.60 1zhl s SER 57 CO 0.00 -1.80 2.16 0.11 0.41 0.00 0.00 173.24 174.13 1zhl h LYS 58 N -0.52 0.00 -0.56 12.44 1.57 -2.03 0.38 116.57 127.85 1zhl h LYS 58 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1zhl h LYS 58 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1zhl h LYS 58 CO 0.43 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.91 1zhl n ASP 59 N -4.10 2.73 0.00 0.86 5.68 -1.26 -4.90 116.55 115.55 1zhl n ASP 59 Ca -0.01 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.07 1zhl n ASP 59 Cb 0.19 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 1zhl n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1zhl n TRP 60 N 0.51 0.00 -2.41 2.11 7.02 0.12 -5.00 117.44 119.79 1zhl n TRP 60 Ca 0.14 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.25 1zhl n TRP 60 Cb 0.52 -0.31 -0.03 0.00 -2.42 0.00 0.00 31.31 29.07 1zhl n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1zhl s SER 61 N -3.16 6.47 0.49 -0.99 1.04 -1.26 -4.66 113.70 111.64 1zhl s SER 61 Ca 0.00 2.15 -0.06 0.00 0.48 0.00 0.00 55.95 58.52 1zhl s SER 61 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 1zhl s SER 61 CO 0.00 -0.70 0.82 -0.36 0.98 0.00 0.00 173.24 173.98 1zhl s PHE 62 N -1.62 3.57 -0.05 5.02 0.08 0.11 -0.45 117.98 124.63 1zhl s PHE 62 Ca 0.61 0.89 -0.10 0.00 0.12 0.00 0.00 56.93 58.46 1zhl s PHE 62 Cb -0.25 -2.37 0.02 0.00 -0.57 0.00 0.00 43.02 39.85 1zhl s PHE 62 CO 0.30 -0.32 0.23 1.52 -0.10 0.00 0.00 175.22 176.86 1zhl s TYR 63 N -2.77 -0.17 -0.04 0.36 -0.85 -0.95 -1.59 117.35 111.33 1zhl s TYR 63 Ca 0.49 0.38 -0.09 0.00 -0.52 0.00 0.00 57.07 57.32 1zhl s TYR 63 Cb -0.10 0.06 0.02 0.00 0.38 0.00 0.00 41.96 42.31 1zhl s TYR 63 CO 0.45 -0.23 0.22 -0.51 -1.52 0.00 0.00 175.55 173.97 1zhl s LEU 64 N -0.56 1.19 -0.18 -3.49 1.43 0.13 -3.79 118.68 113.40 1zhl s LEU 64 Ca -0.07 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1zhl s LEU 64 Cb -0.04 0.87 -0.00 0.00 0.03 0.00 0.00 46.19 47.05 1zhl s LEU 64 CO 0.01 -0.26 -0.11 -0.22 0.23 0.00 0.00 176.35 176.01 1zhl s LEU 65 N -0.69 2.65 -0.09 1.79 2.96 -1.26 -1.41 118.68 122.62 1zhl s LEU 65 Ca -0.08 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 1zhl s LEU 65 Cb -0.04 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1zhl s LEU 65 CO 0.02 0.04 0.01 -0.31 -1.32 0.00 0.00 176.35 174.78 1zhl s TYR 66 N 1.11 3.19 0.07 5.38 1.51 0.03 -0.96 117.35 127.68 1zhl s TYR 66 Ca 0.01 0.19 -0.16 0.00 -1.01 0.00 0.00 57.07 56.09 1zhl s TYR 66 Cb -0.14 -1.82 0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1zhl s TYR 66 CO -0.03 0.45 0.38 1.52 -1.11 0.00 0.00 175.55 176.77 1zhl s TYR 67 N -0.79 -0.20 0.02 2.71 1.13 0.31 -0.62 117.35 119.90 1zhl s TYR 67 Ca 0.12 0.04 -0.28 0.00 -1.41 0.00 0.00 57.07 55.54 1zhl s TYR 67 Cb -0.12 0.20 0.07 0.00 -1.10 0.00 0.00 41.96 41.02 1zhl s TYR 67 CO 0.02 -0.61 0.65 -0.08 -2.51 0.00 0.00 175.55 173.03 1zhl s THR 68 N -3.01 0.00 0.52 -3.49 -1.32 -0.83 -1.52 115.64 105.99 1zhl s THR 68 Ca -0.02 -0.01 -0.20 0.00 -1.21 0.00 0.00 61.69 60.25 1zhl s THR 68 Cb 0.00 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.93 1zhl s THR 68 CO -0.06 -0.00 1.11 -1.83 -2.21 0.00 0.00 174.62 171.62 1zhl s GLU 69 N -2.04 3.52 -0.05 7.08 -1.05 -1.26 -0.31 118.70 124.58 1zhl s GLU 69 Ca -0.07 1.56 -0.29 0.00 -0.15 0.00 0.00 54.97 56.02 1zhl s GLU 69 Cb -0.00 -2.07 0.10 0.00 -0.44 0.00 0.00 34.13 31.71 1zhl s GLU 69 CO 0.02 -0.71 0.81 -0.59 0.95 0.00 0.00 175.26 175.75 1zhl s PHE 70 N -1.80 -0.49 -0.32 4.83 -0.71 -0.62 -4.76 117.98 114.11 1zhl s PHE 70 Ca 0.70 0.69 0.01 0.00 -1.04 0.00 0.00 56.93 57.29 1zhl s PHE 70 Cb -0.22 0.47 0.08 0.00 -1.21 0.00 0.00 43.02 42.13 1zhl s PHE 70 CO 0.26 -0.54 0.03 0.99 -1.34 0.00 0.00 175.22 174.61 1zhl s THR 71 N -1.85 2.64 0.38 -4.49 2.01 -1.26 -0.20 115.64 112.88 1zhl s THR 71 Ca -0.03 -1.85 -0.28 0.00 0.31 0.00 0.00 61.69 59.84 1zhl s THR 71 Cb -0.00 -2.70 -0.11 0.00 0.01 0.00 0.00 72.50 69.69 1zhl s THR 71 CO 0.01 -0.34 1.44 -2.65 -0.69 0.00 0.00 174.62 172.39 1zhl n PRO 72 N 4.46 2.50 -4.36 4.92 -0.02 -1.26 -4.74 135.00 136.50 1zhl n PRO 72 Ca -0.06 0.88 -0.21 0.00 -2.02 0.00 0.00 63.50 62.08 1zhl n PRO 72 Cb 0.42 -2.59 -0.08 0.00 -0.02 0.00 0.00 33.50 31.23 1zhl n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1zhl s THR 73 N -1.13 0.21 0.09 3.45 -4.23 -1.26 -0.31 115.64 112.46 1zhl s THR 73 Ca 0.55 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 1zhl s THR 73 Cb -0.49 -2.44 -0.27 0.00 1.34 0.00 0.00 72.50 70.64 1zhl s THR 73 CO 0.63 0.00 1.17 -0.08 -0.54 0.00 0.00 174.62 175.80 1zhl h GLU 74 N 2.05 0.28 0.00 3.99 4.81 -1.98 -3.39 114.58 120.33 1zhl h GLU 74 Ca -0.29 -0.44 -0.20 0.00 -0.13 0.00 0.00 59.36 58.30 1zhl h GLU 74 Cb 1.25 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 1zhl h GLU 74 CO 0.45 1.19 -1.12 0.87 -0.73 0.00 0.00 179.01 179.67 1zhl h LYS 75 N 0.09 0.00 -6.29 1.92 1.57 -2.01 -3.48 116.57 108.37 1zhl h LYS 75 Ca -0.12 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.99 1zhl h LYS 75 Cb 1.91 0.00 0.06 0.00 0.08 0.00 0.00 32.23 34.28 1zhl h LYS 75 CO 0.20 0.87 0.42 -0.25 -0.57 0.00 0.00 179.45 180.12 1zhl n ASP 76 N -4.46 1.62 -4.59 0.86 8.00 -1.26 -4.97 116.55 111.74 1zhl n ASP 76 Ca -0.28 1.12 -0.34 0.00 0.71 0.00 0.00 54.79 56.00 1zhl n ASP 76 Cb 0.62 -1.20 -0.11 0.00 -0.02 0.00 0.00 41.12 40.41 1zhl n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1zhl s GLU 77 N 0.29 3.34 0.17 -1.24 2.02 -1.26 -4.71 118.70 117.32 1zhl s GLU 77 Ca 0.82 -0.46 0.10 0.00 0.02 0.00 0.00 54.97 55.45 1zhl s GLU 77 Cb -0.92 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 1zhl s GLU 77 CO 0.48 0.47 -0.22 0.71 0.02 0.00 0.00 175.26 176.72 1zhl s TYR 78 N -0.25 2.09 0.24 1.61 2.02 -1.26 0.49 117.35 122.30 1zhl s TYR 78 Ca 0.05 -0.40 -0.22 0.00 -0.37 0.00 0.00 57.07 56.13 1zhl s TYR 78 Cb -0.12 -1.06 0.04 0.00 -0.40 0.00 0.00 41.96 40.42 1zhl s TYR 78 CO 0.02 0.40 0.82 0.00 -1.57 0.00 0.00 175.55 175.22 1zhl s ALA 79 N -1.66 -1.35 -0.08 3.71 0.00 -0.80 -0.42 121.76 121.16 1zhl s ALA 79 Ca 0.17 -0.19 0.04 0.00 0.00 0.00 0.00 51.96 51.98 1zhl s ALA 79 Cb -0.08 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1zhl s ALA 79 CO 0.08 -1.04 -0.20 0.00 0.00 0.00 0.00 175.76 174.60 1zhl s ARG 81 N 0.30 3.30 -0.03 0.00 3.52 0.56 -1.20 118.95 125.39 1zhl s ARG 81 Ca -0.14 -0.67 0.07 0.00 -0.13 0.00 0.00 55.73 54.86 1zhl s ARG 81 Cb -0.16 -2.99 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 1zhl s ARG 81 CO 0.06 -0.22 -0.25 0.08 -0.81 0.00 0.00 175.30 174.16 1zhl s VAL 82 N 1.46 2.11 -0.01 7.11 1.01 0.05 -0.87 120.40 131.26 1zhl s VAL 82 Ca 0.05 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 60.99 1zhl s VAL 82 Cb -0.14 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1zhl s VAL 82 CO -0.04 0.58 -0.12 0.21 0.00 0.00 0.00 175.10 175.73 1zhl s ASN 83 N -0.48 1.39 0.08 3.32 3.04 -0.20 0.07 114.94 122.16 1zhl s ASN 83 Ca 0.06 -0.22 -0.17 0.00 0.04 0.00 0.00 52.86 52.57 1zhl s ASN 83 Cb -0.11 -0.15 0.03 0.00 -1.54 0.00 0.00 41.25 39.48 1zhl s ASN 83 CO 0.00 0.14 0.40 -2.28 -3.04 0.00 0.00 177.10 172.33 1zhl s HIS 84 N -0.30 -0.23 0.57 0.43 2.46 -1.26 -1.42 115.29 115.55 1zhl s HIS 84 Ca 0.04 0.06 0.27 0.00 0.47 0.00 0.00 55.06 55.91 1zhl s HIS 84 Cb -0.05 0.22 1.52 0.00 -0.13 0.00 0.00 32.58 34.15 1zhl s HIS 84 CO -0.00 -0.62 2.01 -0.24 -2.47 0.00 0.00 174.74 173.42 1zhl h VAL 85 N 2.75 0.52 0.00 0.89 3.04 -1.95 0.12 116.25 121.62 1zhl h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1zhl h VAL 85 Cb 1.23 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1zhl h VAL 85 CO 0.45 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.36 1zhl n THR 86 N -3.95 0.06 -4.22 3.17 -2.24 -1.26 -4.76 114.28 101.07 1zhl n THR 86 Ca 0.06 0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.51 1zhl n THR 86 Cb 0.50 -0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 68.07 1zhl n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1zhl s LEU 87 N -2.62 3.32 0.45 3.22 1.43 0.41 -4.97 118.68 119.92 1zhl s LEU 87 Ca 0.26 -0.13 0.25 0.00 -1.03 0.00 0.00 54.13 53.48 1zhl s LEU 87 Cb 0.19 -1.82 0.83 0.00 0.03 0.00 0.00 46.19 45.42 1zhl s LEU 87 CO 0.45 0.13 1.78 0.77 0.23 0.00 0.00 176.35 179.71 1zhl h SER 88 N 7.02 0.00 -5.00 2.29 4.64 -1.85 -3.43 113.55 117.21 1zhl h SER 88 Ca -0.34 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.86 1zhl h SER 88 Cb 1.18 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.08 1zhl h SER 88 CO 0.63 0.15 -0.32 -1.58 -0.87 0.00 0.00 176.83 174.84 1zhl s GLN 89 N -3.49 0.66 0.36 4.77 2.00 -1.26 -5.14 119.66 117.56 1zhl s GLN 89 Ca 0.02 -0.30 -0.27 0.00 -2.00 0.00 0.00 55.36 52.81 1zhl s GLN 89 Cb 0.08 0.29 -0.12 0.00 0.80 0.00 0.00 33.01 34.06 1zhl s GLN 89 CO 0.63 -0.18 1.28 -2.30 -0.50 0.00 0.00 175.29 174.22 1zhl n PRO 90 N 1.18 2.07 -3.71 1.67 -0.02 -1.26 -4.93 135.00 130.00 1zhl n PRO 90 Ca -0.21 0.73 -0.36 0.00 -2.02 0.00 0.00 63.50 61.64 1zhl n PRO 90 Cb 0.56 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.63 1zhl n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1zhl s LYS 91 N -1.94 4.08 -0.21 -0.52 2.20 0.11 -4.90 119.74 118.57 1zhl s LYS 91 Ca 0.56 -0.27 -0.06 0.00 -0.36 0.00 0.00 55.97 55.84 1zhl s LYS 91 Cb -0.56 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.26 1zhl s LYS 91 CO 0.61 0.13 0.04 0.42 -0.36 0.00 0.00 175.35 176.20 1zhl s ILE 92 N 0.84 4.31 -0.19 5.43 -1.09 -1.26 -0.77 121.20 128.48 1zhl s ILE 92 Ca 0.07 -0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.32 1zhl s ILE 92 Cb -0.13 -2.97 0.03 0.00 -1.58 0.00 0.00 42.46 37.81 1zhl s ILE 92 CO 0.02 0.41 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.28 1zhl s VAL 93 N 1.01 1.95 0.39 2.92 1.01 -0.34 -4.98 120.40 122.37 1zhl s VAL 93 Ca 0.03 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 1zhl s VAL 93 Cb -0.14 -1.84 -0.10 0.00 0.00 0.00 0.00 36.38 34.29 1zhl s VAL 93 CO 0.02 0.41 0.95 -0.54 0.00 0.00 0.00 175.10 175.95 1zhl s LYS 94 N 1.31 4.36 0.01 2.72 1.02 -1.26 -0.70 119.74 127.19 1zhl s LYS 94 Ca 0.02 1.22 -0.30 0.00 0.02 0.00 0.00 55.97 56.93 1zhl s LYS 94 Cb -0.14 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 1zhl s LYS 94 CO -0.11 0.08 1.05 -0.46 -0.92 0.00 0.00 175.35 175.00 1zhl s TRP 95 N -1.94 3.57 -0.23 3.18 -0.00 0.45 -4.87 118.94 119.09 1zhl s TRP 95 Ca 0.57 1.56 0.01 0.00 -0.00 0.00 0.00 56.10 58.24 1zhl s TRP 95 Cb -0.13 -3.22 0.06 0.00 -0.00 0.00 0.00 33.47 30.17 1zhl s TRP 95 CO 0.18 -0.45 -0.06 0.34 -0.00 0.00 0.00 176.95 176.96 1zhl s ASP 96 N 1.05 3.82 0.08 5.86 -1.08 -1.26 -4.76 116.67 120.38 1zhl s ASP 96 Ca 0.54 -1.15 0.05 0.00 -0.52 0.00 0.00 52.55 51.47 1zhl s ASP 96 Cb -0.23 -1.20 0.26 0.00 -1.46 0.00 0.00 42.92 40.28 1zhl s ASP 96 CO 0.28 -0.22 1.07 -2.11 0.52 0.00 0.00 175.17 174.70 1zhl n ARG 97 N 4.66 0.03 -0.36 4.34 1.85 -1.26 -0.29 116.66 125.64 1zhl n ARG 97 Ca -0.12 0.46 0.12 0.00 -1.00 0.00 0.00 57.85 57.31 1zhl n ARG 97 Cb 0.44 -1.70 0.31 0.00 -1.05 0.00 0.00 32.46 30.47 1zhl n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1zhl n ASP 98 N -1.61 3.91 0.00 2.89 8.00 -1.26 -4.87 116.55 123.61 1zhl n ASP 98 Ca -0.00 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1zhl n ASP 98 Cb 0.11 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1zhl n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04