#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbz s GLN 2 N 0.00 4.17 -0.15 6.28 -0.21 -1.26 -5.01 119.66 123.49 1wbz s GLN 2 Ca 0.00 1.64 -0.03 0.00 0.02 0.00 0.00 55.36 56.99 1wbz s GLN 2 Cb 0.00 -2.65 -0.03 0.00 1.00 0.00 0.00 33.01 31.33 1wbz s GLN 2 CO 0.00 -0.16 -0.05 0.15 -2.12 0.00 0.00 175.29 173.10 1wbz s LYS 3 N -2.32 3.62 0.02 2.91 1.02 -0.31 -4.96 119.74 119.73 1wbz s LYS 3 Ca 0.56 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.70 1wbz s LYS 3 Cb -0.26 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1wbz s LYS 3 CO 0.32 0.24 1.10 0.99 -0.92 0.00 0.00 175.35 177.09 1wbz s THR 4 N 0.34 4.43 0.43 2.17 2.01 -1.25 -2.40 115.64 121.37 1wbz s THR 4 Ca -0.05 1.74 -0.26 0.00 0.31 0.00 0.00 61.69 63.43 1wbz s THR 4 Cb -0.14 -4.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.16 1wbz s THR 4 CO 0.03 0.12 1.36 -2.16 -0.69 0.00 0.00 174.62 173.29 1wbz s PRO 5 N 1.14 3.84 0.02 4.92 0.04 -1.26 -4.49 135.00 139.22 1wbz s PRO 5 Ca 0.55 2.28 0.01 0.00 0.04 0.00 0.00 61.00 63.89 1wbz s PRO 5 Cb -0.25 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 1wbz s PRO 5 CO 0.28 -0.64 0.05 -0.65 0.04 0.00 0.00 177.00 176.07 1wbz s GLN 6 N -2.33 2.88 -0.02 4.56 -1.52 0.90 -4.95 119.66 119.18 1wbz s GLN 6 Ca 0.59 -0.61 0.02 0.00 -1.95 0.00 0.00 55.36 53.41 1wbz s GLN 6 Cb -0.41 -2.74 0.01 0.00 -0.22 0.00 0.00 33.01 29.65 1wbz s GLN 6 CO 0.53 0.61 -0.06 0.42 -0.25 0.00 0.00 175.29 176.54 1wbz s ILE 7 N -1.21 0.56 -0.05 1.08 1.01 -1.26 -1.04 121.20 120.29 1wbz s ILE 7 Ca 0.23 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.70 1wbz s ILE 7 Cb -0.12 -0.52 -0.00 0.00 0.01 0.00 0.00 42.46 41.83 1wbz s ILE 7 CO 0.15 0.19 -0.17 -1.10 0.00 0.00 0.00 174.94 174.00 1wbz s GLN 8 N 0.30 1.88 -0.13 2.79 -0.21 -0.49 -4.98 119.66 118.83 1wbz s GLN 8 Ca -0.04 -0.62 0.02 0.00 0.02 0.00 0.00 55.36 54.74 1wbz s GLN 8 Cb -0.08 -1.61 -0.00 0.00 1.00 0.00 0.00 33.01 32.32 1wbz s GLN 8 CO 0.00 0.23 -0.19 0.08 -2.12 0.00 0.00 175.29 173.28 1wbz s VAL 9 N 0.10 2.41 -0.13 1.09 1.01 -1.26 -0.75 120.40 122.87 1wbz s VAL 9 Ca -0.06 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.74 1wbz s VAL 9 Cb -0.12 -1.97 0.13 0.00 0.00 0.00 0.00 36.38 34.41 1wbz s VAL 9 CO 0.03 0.54 1.03 -0.72 0.00 0.00 0.00 175.10 175.97 1wbz s TYR 10 N 0.53 -0.30 0.29 5.22 1.13 -0.68 -4.53 117.35 119.01 1wbz s TYR 10 Ca -0.12 0.37 -0.08 0.00 -1.41 0.00 0.00 57.07 55.83 1wbz s TYR 10 Cb -0.17 0.49 -0.06 0.00 -1.10 0.00 0.00 41.96 41.12 1wbz s TYR 10 CO 0.04 -0.36 0.60 -1.54 -2.51 0.00 0.00 175.55 171.79 1wbz s SER 11 N -1.69 6.54 0.16 -0.18 1.04 -1.26 -0.06 113.70 118.26 1wbz s SER 11 Ca 0.03 0.90 -0.12 0.00 0.48 0.00 0.00 55.95 57.23 1wbz s SER 11 Cb -0.01 -2.22 0.06 0.00 0.10 0.00 0.00 66.02 63.95 1wbz s SER 11 CO -0.03 -0.19 1.70 -0.09 0.98 0.00 0.00 173.24 175.61 1wbz h ARG 12 N 1.95 0.85 -6.13 4.02 2.43 -1.48 -3.44 114.38 112.57 1wbz h ARG 12 Ca -0.47 -0.17 -0.60 0.00 -0.81 0.00 0.00 59.98 57.93 1wbz h ARG 12 Cb 1.18 -0.13 -0.13 0.00 -0.42 0.00 0.00 29.97 30.47 1wbz h ARG 12 CO 0.67 0.76 -0.71 -1.01 -1.51 0.00 0.00 179.97 178.16 1wbz s HIS 13 N -5.48 2.40 0.26 2.20 3.76 -1.26 -5.05 115.29 112.12 1wbz s HIS 13 Ca -0.13 -0.36 -0.31 0.00 -0.15 0.00 0.00 55.06 54.11 1wbz s HIS 13 Cb 0.12 -1.15 -0.12 0.00 1.11 0.00 0.00 32.58 32.54 1wbz s HIS 13 CO 0.79 0.65 1.63 -2.30 -0.85 0.00 0.00 174.74 174.67 1wbz n PRO 14 N -0.73 2.68 -2.47 8.40 -0.02 -1.26 -4.89 135.00 136.70 1wbz n PRO 14 Ca -0.05 0.96 -0.41 0.00 -2.02 0.00 0.00 63.50 61.98 1wbz n PRO 14 Cb 0.61 -2.76 -0.04 0.00 -0.02 0.00 0.00 33.50 31.29 1wbz n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1wbz s PRO 15 N 0.11 4.55 -0.12 0.52 0.04 -1.26 -5.03 135.00 133.81 1wbz s PRO 15 Ca 0.68 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.49 1wbz s PRO 15 Cb -0.51 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 30.77 1wbz s PRO 15 CO 0.43 0.00 -0.13 -1.21 0.04 0.00 0.00 177.00 176.13 1wbz s GLU 16 N -0.18 2.07 0.16 4.56 2.02 -1.26 -5.10 118.70 120.97 1wbz s GLU 16 Ca 0.51 -0.49 -0.34 0.00 0.02 0.00 0.00 54.97 54.67 1wbz s GLU 16 Cb -0.30 -1.87 -0.15 0.00 0.10 0.00 0.00 34.13 31.91 1wbz s GLU 16 CO 0.35 -0.15 1.38 0.09 0.02 0.00 0.00 175.26 176.95 1wbz n ASN 17 N 4.51 2.22 0.00 -0.19 3.02 -1.26 -0.87 115.26 122.69 1wbz n ASN 17 Ca -0.17 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 1wbz n ASN 17 Cb 0.51 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 1wbz n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wbz n GLY 18 N 2.58 1.76 3.66 7.41 0.00 -0.21 -5.00 105.19 115.39 1wbz n GLY 18 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1wbz n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wbz s LYS 19 N -0.15 4.04 0.48 1.61 2.20 -0.05 -4.97 119.74 122.89 1wbz s LYS 19 Ca 0.00 -0.31 -0.23 0.00 -0.36 0.00 0.00 55.97 55.07 1wbz s LYS 19 Cb 0.00 -3.30 -0.08 0.00 -1.51 0.00 0.00 37.83 32.94 1wbz s LYS 19 CO 0.00 0.25 1.24 -2.30 -0.36 0.00 0.00 175.35 174.18 1wbz n PRO 20 N 3.62 1.70 -3.12 4.03 -0.02 -1.26 -4.06 135.00 135.89 1wbz n PRO 20 Ca -0.16 0.61 -0.07 0.00 -2.02 0.00 0.00 63.50 61.87 1wbz n PRO 20 Cb 0.52 -2.39 0.02 0.00 -0.02 0.00 0.00 33.50 31.63 1wbz n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1wbz n ASN 21 N -0.24 -1.73 -4.13 2.55 2.85 0.51 -4.98 115.26 110.09 1wbz n ASN 21 Ca 0.09 -2.19 -0.27 0.00 -0.11 0.00 0.00 54.58 52.10 1wbz n ASN 21 Cb 0.42 2.89 -0.16 0.00 1.24 0.00 0.00 39.78 44.16 1wbz n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1wbz s ILE 22 N -2.31 1.46 -0.18 -1.44 1.09 -1.26 -1.71 121.20 116.86 1wbz s ILE 22 Ca 0.12 -0.71 -0.06 0.00 -1.10 0.00 0.00 60.65 58.90 1wbz s ILE 22 Cb -0.04 -1.27 -0.04 0.00 -1.06 0.00 0.00 42.46 40.06 1wbz s ILE 22 CO 0.09 0.42 0.03 -0.22 -0.10 0.00 0.00 174.94 175.16 1wbz s LEU 23 N 0.19 3.61 -0.06 2.97 2.96 0.29 -1.06 118.68 127.58 1wbz s LEU 23 Ca -0.08 0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1wbz s LEU 23 Cb -0.13 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1wbz s LEU 23 CO 0.03 0.17 0.04 0.20 -1.32 0.00 0.00 176.35 175.47 1wbz s ASN 24 N 0.41 5.48 -0.24 3.68 0.01 0.91 -1.29 114.94 123.90 1wbz s ASN 24 Ca 0.01 0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.33 1wbz s ASN 24 Cb -0.13 -1.57 0.07 0.00 0.41 0.00 0.00 41.25 40.03 1wbz s ASN 24 CO 0.01 0.34 -0.01 0.00 -1.51 0.00 0.00 177.10 175.93 1wbz s TYR 26 N 1.47 3.18 -0.15 0.00 5.04 0.07 -0.94 117.35 126.03 1wbz s TYR 26 Ca -0.02 -0.40 0.01 0.00 -2.44 0.00 0.00 57.07 54.22 1wbz s TYR 26 Cb -0.18 -2.37 0.00 0.00 0.35 0.00 0.00 41.96 39.76 1wbz s TYR 26 CO -0.09 -0.39 -0.18 0.08 -1.34 0.00 0.00 175.55 173.64 1wbz s VAL 27 N 1.65 2.46 0.27 3.14 1.01 -0.24 -1.40 120.40 127.29 1wbz s VAL 27 Ca 0.05 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1wbz s VAL 27 Cb -0.17 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1wbz s VAL 27 CO 0.07 0.53 0.13 0.42 0.00 0.00 0.00 175.10 176.25 1wbz s THR 28 N 0.76 0.40 -1.43 3.92 -4.23 -0.20 -1.10 115.64 113.75 1wbz s THR 28 Ca -0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1wbz s THR 28 Cb -0.16 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1wbz s THR 28 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 1wbz n GLN 29 N -0.49 -1.29 -4.14 3.99 1.13 -0.83 -0.07 117.38 115.68 1wbz n GLN 29 Ca 0.01 0.82 -0.29 0.00 -1.94 0.00 0.00 57.00 55.60 1wbz n GLN 29 Cb 0.66 -5.21 -0.08 0.00 0.11 0.00 0.00 30.24 25.72 1wbz n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1wbz s PHE 30 N -2.80 2.98 -0.29 1.08 -0.71 -1.17 -3.87 117.98 113.22 1wbz s PHE 30 Ca 0.00 -0.05 -0.14 0.00 -1.04 0.00 0.00 56.93 55.70 1wbz s PHE 30 Cb 0.00 -1.50 0.11 0.00 -1.21 0.00 0.00 43.02 40.42 1wbz s PHE 30 CO 0.00 0.49 0.75 -1.58 -1.34 0.00 0.00 175.22 173.55 1wbz s HIS 31 N -1.46 -1.02 0.86 3.49 2.46 -1.01 -0.68 115.29 117.94 1wbz s HIS 31 Ca 0.27 1.94 -0.12 0.00 0.47 0.00 0.00 55.06 57.62 1wbz s HIS 31 Cb -0.11 0.61 0.11 0.00 -0.13 0.00 0.00 32.58 33.06 1wbz s HIS 31 CO 0.19 -0.51 1.13 -1.25 -2.47 0.00 0.00 174.74 171.84 1wbz s PRO 32 N 1.95 1.53 0.50 2.88 0.04 -1.26 -1.16 135.00 139.48 1wbz s PRO 32 Ca -0.08 0.36 0.22 0.00 0.04 0.00 0.00 61.00 61.53 1wbz s PRO 32 Cb -0.07 -1.88 1.30 0.00 0.04 0.00 0.00 34.50 33.90 1wbz s PRO 32 CO -0.19 -1.95 2.07 -1.00 0.04 0.00 0.00 177.00 175.98 1wbz h PRO 33 N -1.32 0.00 -6.56 0.56 0.13 -1.98 -3.43 132.00 119.40 1wbz h PRO 33 Ca -0.49 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.11 1wbz h PRO 33 Cb 1.31 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.48 1wbz h PRO 33 CO 0.62 0.12 0.99 -1.58 -0.23 0.00 0.00 178.00 177.92 1wbz s HIS 34 N -4.49 2.67 -0.00 1.56 2.46 -1.26 -4.98 115.29 111.24 1wbz s HIS 34 Ca -0.04 0.34 -0.20 0.00 0.47 0.00 0.00 55.06 55.64 1wbz s HIS 34 Cb 0.15 -4.04 0.04 0.00 -0.13 0.00 0.00 32.58 28.59 1wbz s HIS 34 CO 0.63 -4.05 0.43 -1.50 -2.47 0.00 0.00 174.74 167.78 1wbz s ILE 35 N 1.86 0.04 -0.14 0.89 2.07 -1.26 -4.71 121.20 119.96 1wbz s ILE 35 Ca 0.74 -0.36 0.01 0.00 -1.41 0.00 0.00 60.65 59.64 1wbz s ILE 35 Cb -0.45 -0.82 0.02 0.00 0.13 0.00 0.00 42.46 41.35 1wbz s ILE 35 CO 0.33 -0.20 -0.15 -1.61 -1.91 0.00 0.00 174.94 171.40 1wbz s GLU 36 N -1.68 2.34 -0.10 3.50 2.02 -0.54 -5.01 118.70 119.23 1wbz s GLU 36 Ca -0.10 -0.59 0.03 0.00 0.02 0.00 0.00 54.97 54.34 1wbz s GLU 36 Cb -0.03 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.13 1wbz s GLU 36 CO 0.03 -0.17 -0.22 0.42 0.02 0.00 0.00 175.26 175.35 1wbz s ILE 37 N 1.28 1.91 0.07 -1.63 1.01 -1.26 -0.64 121.20 121.95 1wbz s ILE 37 Ca 0.01 -0.92 0.08 0.00 0.00 0.00 0.00 60.65 59.81 1wbz s ILE 37 Cb -0.14 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1wbz s ILE 37 CO -0.07 0.53 -0.22 -1.10 0.00 0.00 0.00 174.94 174.07 1wbz s GLN 38 N 0.51 1.33 0.04 2.79 -0.21 0.63 -5.00 119.66 119.75 1wbz s GLN 38 Ca -0.15 -1.07 0.03 0.00 0.02 0.00 0.00 55.36 54.18 1wbz s GLN 38 Cb -0.17 -1.54 -0.04 0.00 1.00 0.00 0.00 33.01 32.27 1wbz s GLN 38 CO 0.06 0.38 0.02 -1.64 -2.12 0.00 0.00 175.29 171.98 1wbz s MET 39 N -1.52 2.75 -0.02 2.91 -1.94 -1.26 -0.15 119.30 120.07 1wbz s MET 39 Ca 0.08 -0.68 0.04 0.00 -1.71 0.00 0.00 55.69 53.42 1wbz s MET 39 Cb -0.09 -2.65 -0.01 0.00 2.01 0.00 0.00 34.83 34.09 1wbz s MET 39 CO 0.03 0.59 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.99 1wbz s LEU 40 N -1.92 1.98 -0.17 -0.03 1.43 0.48 -1.01 118.68 119.44 1wbz s LEU 40 Ca 0.23 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1wbz s LEU 40 Cb -0.12 -0.69 0.02 0.00 0.03 0.00 0.00 46.19 45.43 1wbz s LEU 40 CO 0.15 0.15 -0.19 -0.75 0.23 0.00 0.00 176.35 175.93 1wbz s LYS 41 N -0.19 3.03 -1.63 1.70 2.20 -0.27 -1.24 119.74 123.34 1wbz s LYS 41 Ca 0.03 -0.82 -0.10 0.00 -0.36 0.00 0.00 55.97 54.72 1wbz s LYS 41 Cb -0.06 -2.56 0.09 0.00 -1.51 0.00 0.00 37.83 33.78 1wbz s LYS 41 CO -0.00 -0.15 0.41 0.09 -0.36 0.00 0.00 175.35 175.34 1wbz n ASN 42 N 4.47 -0.95 0.00 1.43 3.02 0.44 -0.60 115.26 123.07 1wbz n ASN 42 Ca -0.21 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 1wbz n ASN 42 Cb 0.50 -2.21 0.00 0.00 -0.61 0.00 0.00 39.78 37.46 1wbz n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wbz n GLY 43 N -1.84 1.74 3.48 7.41 0.00 -1.26 -5.04 105.19 109.68 1wbz n GLY 43 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1wbz n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wbz s LYS 44 N -0.49 3.44 0.11 1.61 1.02 0.23 -5.04 119.74 120.61 1wbz s LYS 44 Ca 0.00 -0.57 -0.36 0.00 0.02 0.00 0.00 55.97 55.07 1wbz s LYS 44 Cb 0.00 -2.79 -0.17 0.00 -0.52 0.00 0.00 37.83 34.36 1wbz s LYS 44 CO 0.00 0.31 1.21 1.17 -0.92 0.00 0.00 175.35 177.13 1wbz n LYS 45 N 3.29 0.95 -3.10 1.68 4.81 -1.26 -1.12 118.16 123.41 1wbz n LYS 45 Ca -0.18 0.34 -0.40 0.00 -0.87 0.00 0.00 58.31 57.21 1wbz n LYS 45 Cb 0.53 -1.89 -0.05 0.00 0.02 0.00 0.00 35.03 33.63 1wbz n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1wbz s ILE 46 N 0.14 5.03 -0.03 3.15 1.01 -0.18 -4.81 121.20 125.51 1wbz s ILE 46 Ca 0.81 1.26 -0.26 0.00 0.00 0.00 0.00 60.65 62.47 1wbz s ILE 46 Cb -0.96 -3.97 -0.20 0.00 0.01 0.00 0.00 42.46 37.33 1wbz s ILE 46 CO 0.50 0.17 1.22 1.55 0.00 0.00 0.00 174.94 178.38 1wbz h PRO 47 N 7.19 0.03 -4.63 2.79 0.13 -1.92 -3.40 132.00 132.20 1wbz h PRO 47 Ca -0.35 -0.02 -0.74 0.00 -0.87 0.00 0.00 66.00 64.03 1wbz h PRO 47 Cb 1.16 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.10 1wbz h PRO 47 CO 0.77 0.56 1.05 -1.59 -0.23 0.00 0.00 178.00 178.57 1wbz s LYS 48 N -4.05 3.96 -0.18 0.86 0.00 -1.26 -4.97 119.74 114.10 1wbz s LYS 48 Ca -0.16 -2.45 -0.01 0.00 0.00 0.00 0.00 55.97 53.34 1wbz s LYS 48 Cb 0.01 -4.93 -0.00 0.00 0.00 0.00 0.00 37.83 32.91 1wbz s LYS 48 CO 0.68 -1.68 -0.11 0.08 0.00 0.00 0.00 175.35 174.33 1wbz s VAL 49 N 1.43 2.96 0.20 1.79 1.01 -1.26 -4.60 120.40 121.93 1wbz s VAL 49 Ca 0.37 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1wbz s VAL 49 Cb -0.05 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1wbz s VAL 49 CO -0.04 0.48 0.43 -1.61 0.00 0.00 0.00 175.10 174.37 1wbz s GLU 50 N 1.06 3.60 -0.08 2.72 2.02 0.06 -4.91 118.70 123.18 1wbz s GLU 50 Ca -0.00 -0.13 0.03 0.00 0.02 0.00 0.00 54.97 54.89 1wbz s GLU 50 Cb -0.15 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.30 1wbz s GLU 50 CO -0.02 0.37 -0.19 -1.64 0.02 0.00 0.00 175.26 173.80 1wbz s MET 51 N -3.11 2.39 0.90 1.61 -1.94 -1.26 -0.63 119.30 117.27 1wbz s MET 51 Ca 0.41 -0.68 -0.11 0.00 -1.71 0.00 0.00 55.69 53.61 1wbz s MET 51 Cb -0.11 -1.88 0.14 0.00 2.01 0.00 0.00 34.83 34.98 1wbz s MET 51 CO 0.27 0.14 1.11 -1.54 -0.01 0.00 0.00 175.02 174.99 1wbz s SER 52 N 0.41 3.20 0.78 3.03 1.04 0.11 -5.00 113.70 117.27 1wbz s SER 52 Ca -0.15 1.92 -0.14 0.00 0.48 0.00 0.00 55.95 58.06 1wbz s SER 52 Cb -0.16 -2.47 0.07 0.00 0.10 0.00 0.00 66.02 63.55 1wbz s SER 52 CO 0.06 -2.88 1.21 -1.81 0.98 0.00 0.00 173.24 170.81 1wbz s ASP 53 N -2.95 3.77 0.10 7.02 1.01 -1.26 -4.71 116.67 119.65 1wbz s ASP 53 Ca 0.65 2.39 -0.16 0.00 0.71 0.00 0.00 52.55 56.13 1wbz s ASP 53 Cb -0.21 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.06 1wbz s ASP 53 CO 0.58 -2.55 0.54 -0.32 0.21 0.00 0.00 175.17 173.63 1wbz s MET 54 N -4.04 4.07 0.29 8.23 1.75 -1.26 -4.73 119.30 123.61 1wbz s MET 54 Ca 0.74 0.59 0.02 0.00 -1.25 0.00 0.00 55.69 55.79 1wbz s MET 54 Cb -0.30 -3.09 -0.05 0.00 2.84 0.00 0.00 34.83 34.23 1wbz s MET 54 CO 0.49 0.57 0.10 -1.12 -0.65 0.00 0.00 175.02 174.41 1wbz s SER 55 N -1.39 1.67 0.11 1.11 0.01 -1.03 -5.02 113.70 109.16 1wbz s SER 55 Ca 0.32 -1.43 0.02 0.00 1.31 0.00 0.00 55.95 56.18 1wbz s SER 55 Cb -0.17 0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 1wbz s SER 55 CO 0.18 -0.74 -0.07 0.72 0.41 0.00 0.00 173.24 173.75 1wbz s PHE 56 N -3.57 0.98 0.44 2.43 -0.12 -1.26 -1.57 117.98 115.29 1wbz s PHE 56 Ca 0.36 -0.88 0.08 0.00 -0.05 0.00 0.00 56.93 56.44 1wbz s PHE 56 Cb 0.07 -0.55 0.01 0.00 -0.63 0.00 0.00 43.02 41.92 1wbz s PHE 56 CO 0.15 -0.10 0.51 -1.12 -0.05 0.00 0.00 175.22 174.61 1wbz s SER 57 N -3.07 5.35 0.59 1.98 0.01 0.30 -4.97 113.70 113.88 1wbz s SER 57 Ca 0.13 -0.61 0.32 0.00 1.31 0.00 0.00 55.95 57.11 1wbz s SER 57 Cb 0.05 -0.50 1.83 0.00 0.21 0.00 0.00 66.02 67.61 1wbz s SER 57 CO -0.04 -0.78 2.22 0.07 0.41 0.00 0.00 173.24 175.12 1wbz h LYS 58 N 0.75 0.00 -0.26 12.44 2.10 -2.03 0.43 116.57 130.00 1wbz h LYS 58 Ca -0.39 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.33 1wbz h LYS 58 Cb 1.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 1wbz h LYS 58 CO 0.50 0.03 0.36 0.22 -2.00 0.00 0.00 179.45 178.56 1wbz h ASP 59 N 0.00 0.00 0.00 7.07 -0.00 -2.05 -3.47 116.42 117.98 1wbz h ASP 59 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1wbz h ASP 59 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.45 1wbz h ASP 59 CO 0.00 0.00 0.00 0.79 -0.00 0.00 0.00 179.24 180.03 1wbz n TRP 60 N -3.53 0.00 -2.63 0.28 7.02 0.15 -5.03 117.44 113.70 1wbz n TRP 60 Ca 0.04 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.17 1wbz n TRP 60 Cb 0.49 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.33 1wbz n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1wbz s SER 61 N -2.95 6.75 0.45 -0.99 1.04 -1.26 -4.64 113.70 112.10 1wbz s SER 61 Ca 0.00 1.91 -0.05 0.00 0.48 0.00 0.00 55.95 58.30 1wbz s SER 61 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1wbz s SER 61 CO 0.00 -0.50 0.75 -0.36 0.98 0.00 0.00 173.24 174.11 1wbz s PHE 62 N -1.85 3.55 0.04 5.02 0.40 0.14 -0.54 117.98 124.74 1wbz s PHE 62 Ca 0.60 0.76 -0.14 0.00 -0.60 0.00 0.00 56.93 57.56 1wbz s PHE 62 Cb -0.17 -2.25 0.02 0.00 0.51 0.00 0.00 43.02 41.12 1wbz s PHE 62 CO 0.22 -0.21 0.30 1.52 0.70 0.00 0.00 175.22 177.75 1wbz s TYR 63 N -2.65 -0.11 -0.09 0.36 1.13 -0.61 -1.96 117.35 113.43 1wbz s TYR 63 Ca 0.47 -0.01 -0.30 0.00 -1.41 0.00 0.00 57.07 55.82 1wbz s TYR 63 Cb -0.10 0.09 0.07 0.00 -1.10 0.00 0.00 41.96 40.92 1wbz s TYR 63 CO 0.43 -0.49 0.70 -1.50 -2.51 0.00 0.00 175.55 172.18 1wbz s ILE 64 N -2.40 0.00 -0.23 -3.49 2.07 -0.26 -2.47 121.20 114.41 1wbz s ILE 64 Ca -0.06 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.15 1wbz s ILE 64 Cb -0.01 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.58 1wbz s ILE 64 CO -0.02 0.00 -0.05 -0.22 -1.91 0.00 0.00 174.94 172.74 1wbz s LEU 65 N -0.95 3.02 0.04 8.50 2.96 -1.26 -1.08 118.68 129.90 1wbz s LEU 65 Ca -0.09 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.17 1wbz s LEU 65 Cb -0.01 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 1wbz s LEU 65 CO 0.08 -0.07 0.31 0.00 -1.32 0.00 0.00 176.35 175.35 1wbz s ALA 66 N 1.42 3.82 0.04 5.97 0.00 -0.11 0.06 121.76 132.97 1wbz s ALA 66 Ca 0.04 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 51.26 1wbz s ALA 66 Cb -0.15 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 20.90 1wbz s ALA 66 CO -0.04 0.64 0.43 -3.38 0.00 0.00 0.00 175.76 173.42 1wbz s HIS 67 N -1.37 -0.30 -0.04 0.00 -3.43 0.20 -0.19 115.29 110.16 1wbz s HIS 67 Ca 0.30 0.28 -0.20 0.00 -0.80 0.00 0.00 55.06 54.65 1wbz s HIS 67 Cb -0.13 0.24 0.04 0.00 -1.43 0.00 0.00 32.58 31.30 1wbz s HIS 67 CO 0.18 -0.58 0.44 -0.08 -2.00 0.00 0.00 174.74 172.70 1wbz s THR 68 N -2.41 0.03 0.32 -5.38 -1.32 -0.41 -0.76 115.64 105.71 1wbz s THR 68 Ca -0.06 -0.28 -0.29 0.00 -1.21 0.00 0.00 61.69 59.86 1wbz s THR 68 Cb -0.01 -0.74 -0.10 0.00 -1.51 0.00 0.00 72.50 70.14 1wbz s THR 68 CO -0.02 -0.15 1.30 -1.61 -2.21 0.00 0.00 174.62 171.93 1wbz s GLU 69 N -1.10 4.37 0.05 7.08 2.02 -1.26 -0.55 118.70 129.31 1wbz s GLU 69 Ca -0.11 2.18 -0.20 0.00 0.02 0.00 0.00 54.97 56.86 1wbz s GLU 69 Cb -0.03 -3.09 0.04 0.00 0.10 0.00 0.00 34.13 31.15 1wbz s GLU 69 CO 0.06 -0.17 0.46 -0.59 0.02 0.00 0.00 175.26 175.04 1wbz s PHE 70 N -1.05 -0.34 -0.30 1.61 -0.71 -0.69 -4.84 117.98 111.66 1wbz s PHE 70 Ca 0.49 0.33 0.03 0.00 -1.04 0.00 0.00 56.93 56.74 1wbz s PHE 70 Cb -0.39 0.28 0.08 0.00 -1.21 0.00 0.00 43.02 41.78 1wbz s PHE 70 CO 0.51 -0.61 -0.01 0.99 -1.34 0.00 0.00 175.22 174.76 1wbz s THR 71 N -2.49 1.98 0.51 -4.49 2.01 -1.26 -0.37 115.64 111.54 1wbz s THR 71 Ca -0.05 -1.85 -0.21 0.00 0.31 0.00 0.00 61.69 59.88 1wbz s THR 71 Cb -0.01 -2.32 -0.06 0.00 0.01 0.00 0.00 72.50 70.13 1wbz s THR 71 CO -0.02 -0.35 1.20 -2.16 -0.69 0.00 0.00 174.62 172.60 1wbz s PRO 72 N 1.11 3.43 0.37 4.92 0.04 -1.26 -4.77 135.00 138.85 1wbz s PRO 72 Ca 0.02 1.84 0.04 0.00 0.04 0.00 0.00 61.00 62.94 1wbz s PRO 72 Cb -0.19 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1wbz s PRO 72 CO -0.08 -0.84 0.08 0.95 0.04 0.00 0.00 177.00 177.14 1wbz s THR 73 N -1.54 0.99 0.30 1.26 -4.23 -1.26 -1.04 115.64 110.12 1wbz s THR 73 Ca 0.69 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.25 1wbz s THR 73 Cb -0.30 -2.59 0.30 0.00 1.34 0.00 0.00 72.50 71.25 1wbz s THR 73 CO 0.36 0.00 1.81 -0.08 -0.54 0.00 0.00 174.62 176.16 1wbz h GLU 74 N 1.92 0.82 0.00 3.99 4.81 -1.97 -3.33 114.58 120.82 1wbz h GLU 74 Ca -0.39 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1wbz h GLU 74 Cb 1.26 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1wbz h GLU 74 CO 0.66 0.54 -0.47 0.25 -0.73 0.00 0.00 179.01 179.26 1wbz n THR 75 N -4.69 0.00 -2.12 0.32 -2.24 -1.26 -5.00 114.28 99.29 1wbz n THR 75 Ca 0.21 -0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 1wbz n THR 75 Cb 0.49 0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 1wbz n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wbz s ASP 76 N -1.67 6.79 -0.10 3.42 1.01 -1.25 -5.03 116.67 119.84 1wbz s ASP 76 Ca 0.01 2.64 -0.01 0.00 0.71 0.00 0.00 52.55 55.90 1wbz s ASP 76 Cb 0.03 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1wbz s ASP 76 CO 0.15 -0.54 -0.07 -0.89 0.21 0.00 0.00 175.17 174.03 1wbz s THR 77 N -0.85 3.68 0.08 -1.27 2.01 -1.26 -4.78 115.64 113.26 1wbz s THR 77 Ca 0.51 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 62.12 1wbz s THR 77 Cb -0.39 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 1wbz s THR 77 CO 0.50 0.55 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.47 1wbz s TYR 78 N -0.27 1.69 0.18 4.92 1.51 -1.26 -0.42 117.35 123.70 1wbz s TYR 78 Ca 0.04 -0.41 -0.10 0.00 -1.01 0.00 0.00 57.07 55.59 1wbz s TYR 78 Cb -0.13 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.77 1wbz s TYR 78 CO 0.02 0.15 0.32 0.00 -1.11 0.00 0.00 175.55 174.94 1wbz s ALA 79 N -1.08 -0.06 -0.06 3.71 0.00 -0.37 -0.71 121.76 123.20 1wbz s ALA 79 Ca 0.05 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1wbz s ALA 79 Cb -0.10 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1wbz s ALA 79 CO 0.03 -0.68 -0.13 0.00 0.00 0.00 0.00 175.76 174.98 1wbz s ARG 81 N 0.59 2.85 -0.11 0.00 3.52 0.78 -0.77 118.95 125.80 1wbz s ARG 81 Ca -0.13 -0.86 0.01 0.00 -0.13 0.00 0.00 55.73 54.62 1wbz s ARG 81 Cb -0.15 -2.21 0.02 0.00 -1.56 0.00 0.00 34.95 31.04 1wbz s ARG 81 CO 0.04 0.22 -0.13 0.08 -0.81 0.00 0.00 175.30 174.70 1wbz s VAL 82 N 0.23 1.35 -0.18 7.11 1.01 -0.19 -0.27 120.40 129.46 1wbz s VAL 82 Ca -0.15 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1wbz s VAL 82 Cb -0.17 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1wbz s VAL 82 CO 0.07 0.41 -0.01 -0.75 0.00 0.00 0.00 175.10 174.83 1wbz s LYS 83 N 1.23 3.68 -0.06 2.72 2.20 0.19 -1.33 119.74 128.37 1wbz s LYS 83 Ca -0.02 -0.50 -0.22 0.00 -0.36 0.00 0.00 55.97 54.86 1wbz s LYS 83 Cb -0.14 -3.01 0.05 0.00 -1.51 0.00 0.00 37.83 33.21 1wbz s LYS 83 CO -0.04 0.14 0.51 -1.58 -0.36 0.00 0.00 175.35 174.02 1wbz s HIS 84 N 0.64 -0.45 0.38 4.03 2.46 -1.26 -1.47 115.29 119.61 1wbz s HIS 84 Ca -0.01 0.84 0.27 0.00 0.47 0.00 0.00 55.06 56.63 1wbz s HIS 84 Cb -0.14 0.25 1.40 0.00 -0.13 0.00 0.00 32.58 33.96 1wbz s HIS 84 CO 0.02 -0.46 2.05 -0.44 -2.47 0.00 0.00 174.74 173.43 1wbz h ASP 85 N 3.75 0.00 0.15 9.88 3.45 -1.95 -2.09 116.42 129.62 1wbz h ASP 85 Ca -0.28 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.18 1wbz h ASP 85 Cb 1.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 1wbz h ASP 85 CO 0.35 0.13 0.00 -1.54 -1.57 0.00 0.00 179.24 176.61 1wbz n SER 86 N -3.58 0.56 -4.32 6.45 3.41 -1.26 -4.70 113.62 110.17 1wbz n SER 86 Ca -0.02 0.73 -0.30 0.00 -0.26 0.00 0.00 58.87 59.02 1wbz n SER 86 Cb 0.26 -0.81 -0.15 0.00 -0.26 0.00 0.00 64.21 63.24 1wbz n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1wbz s MET 87 N -3.48 1.91 0.28 4.33 -1.94 -0.79 -4.86 119.30 114.75 1wbz s MET 87 Ca -0.01 -1.02 0.03 0.00 -1.71 0.00 0.00 55.69 52.98 1wbz s MET 87 Cb 0.07 -1.98 0.40 0.00 2.01 0.00 0.00 34.83 35.33 1wbz s MET 87 CO 0.23 0.52 1.71 0.00 -0.01 0.00 0.00 175.02 177.47 1wbz h ALA 88 N 5.10 1.08 -2.83 3.03 0.00 -1.84 -3.44 119.26 120.36 1wbz h ALA 88 Ca -0.45 -0.36 -0.38 0.00 0.00 0.00 0.00 54.91 53.72 1wbz h ALA 88 Cb 1.13 -0.12 -0.18 0.00 0.00 0.00 0.00 17.79 18.63 1wbz h ALA 88 CO 0.45 0.57 -0.75 -2.00 0.00 0.00 0.00 179.25 177.52 1wbz s GLU 89 N -4.43 0.96 0.38 0.00 2.12 -1.26 -5.10 118.70 111.37 1wbz s GLU 89 Ca -0.07 -1.21 -0.27 0.00 0.36 0.00 0.00 54.97 53.78 1wbz s GLU 89 Cb 0.14 -0.77 -0.10 0.00 0.26 0.00 0.00 34.13 33.66 1wbz s GLU 89 CO 0.79 0.14 1.33 -2.14 -0.54 0.00 0.00 175.26 174.84 1wbz s PRO 90 N -2.72 4.12 -0.24 4.30 0.02 -1.26 -4.84 135.00 134.37 1wbz s PRO 90 Ca 0.08 2.24 -0.11 0.00 0.02 0.00 0.00 61.00 63.22 1wbz s PRO 90 Cb -0.04 -2.89 -0.05 0.00 0.02 0.00 0.00 34.50 31.54 1wbz s PRO 90 CO 0.02 -0.40 0.18 0.21 -0.33 0.00 0.00 177.00 176.68 1wbz s LYS 91 N -2.07 4.07 -0.15 5.54 2.20 -0.44 -4.90 119.74 123.99 1wbz s LYS 91 Ca 0.54 -0.24 -0.05 0.00 -0.36 0.00 0.00 55.97 55.86 1wbz s LYS 91 Cb -0.40 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.34 1wbz s LYS 91 CO 0.52 0.04 0.01 0.99 -0.36 0.00 0.00 175.35 176.55 1wbz s THR 92 N 1.11 4.30 -0.08 3.43 2.01 -1.26 -1.02 115.64 124.13 1wbz s THR 92 Ca 0.08 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 61.90 1wbz s THR 92 Cb -0.14 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.49 1wbz s THR 92 CO 0.05 0.50 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.60 1wbz s VAL 93 N 0.12 1.68 0.08 3.82 1.01 0.05 -4.97 120.40 122.19 1wbz s VAL 93 Ca 0.02 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 1wbz s VAL 93 Cb -0.13 -1.47 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 1wbz s VAL 93 CO 0.02 0.48 0.48 -0.31 0.00 0.00 0.00 175.10 175.77 1wbz s TYR 94 N 0.42 3.66 0.06 5.22 1.51 -1.26 -0.65 117.35 126.31 1wbz s TYR 94 Ca -0.16 1.02 -0.31 0.00 -1.01 0.00 0.00 57.07 56.61 1wbz s TYR 94 Cb -0.17 -2.32 -0.08 0.00 -0.11 0.00 0.00 41.96 39.29 1wbz s TYR 94 CO 0.06 0.53 1.54 -0.46 -1.11 0.00 0.00 175.55 176.11 1wbz s TRP 95 N -1.30 2.72 -0.25 2.71 -0.00 0.12 -4.83 118.94 118.11 1wbz s TRP 95 Ca 0.32 0.58 -0.01 0.00 -0.00 0.00 0.00 56.10 56.98 1wbz s TRP 95 Cb -0.16 -3.84 0.03 0.00 -0.00 0.00 0.00 33.47 29.50 1wbz s TRP 95 CO 0.17 -3.22 -0.07 0.34 -0.00 0.00 0.00 176.95 174.18 1wbz s ASP 96 N 1.96 4.29 0.27 5.86 -1.08 -1.26 -4.75 116.67 121.95 1wbz s ASP 96 Ca 0.69 -0.88 0.22 0.00 -0.52 0.00 0.00 52.55 52.06 1wbz s ASP 96 Cb -0.37 -1.66 1.01 0.00 -1.46 0.00 0.00 42.92 40.44 1wbz s ASP 96 CO 0.30 -0.13 1.66 -2.11 0.52 0.00 0.00 175.17 175.41 1wbz n ARG 97 N 4.66 0.16 -0.09 4.34 1.85 -1.26 -1.22 116.66 125.10 1wbz n ARG 97 Ca -0.16 0.51 0.10 0.00 -1.00 0.00 0.00 57.85 57.30 1wbz n ARG 97 Cb 0.47 -1.88 0.35 0.00 -1.05 0.00 0.00 32.46 30.35 1wbz n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1wbz n ASP 98 N -2.20 1.85 0.00 2.89 10.43 -1.26 -4.88 116.55 123.39 1wbz n ASP 98 Ca 0.01 -1.75 0.00 0.00 2.57 0.00 0.00 54.79 55.62 1wbz n ASP 98 Cb 0.14 -0.12 0.00 0.00 1.84 0.00 0.00 41.12 42.98 1wbz n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36