#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bzf s THR 4 N 0.00 2.88 0.08 5.15 2.01 -1.26 -4.70 115.64 119.80 3bzf s THR 4 Ca 0.00 -1.37 -0.31 0.00 0.31 0.00 0.00 61.69 60.32 3bzf s THR 4 Cb 0.00 -2.29 -0.08 0.00 0.01 0.00 0.00 72.50 70.14 3bzf s THR 4 CO 0.00 0.18 1.53 -2.16 -0.69 0.00 0.00 174.62 173.48 3bzf s PRO 5 N -1.91 4.24 0.27 4.92 0.04 -1.26 -4.66 135.00 136.64 3bzf s PRO 5 Ca 0.17 2.21 -0.15 0.00 0.04 0.00 0.00 61.00 63.26 3bzf s PRO 5 Cb -0.11 -3.46 -0.08 0.00 0.04 0.00 0.00 34.50 30.89 3bzf s PRO 5 CO 0.09 -0.62 0.69 0.15 0.04 0.00 0.00 177.00 177.34 3bzf s LYS 6 N 2.07 4.04 -0.02 4.56 1.02 0.87 -4.91 119.74 127.37 3bzf s LYS 6 Ca 0.69 0.65 0.02 0.00 0.02 0.00 0.00 55.97 57.35 3bzf s LYS 6 Cb -0.38 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 3bzf s LYS 6 CO 0.30 0.27 -0.08 0.42 -0.92 0.00 0.00 175.35 175.34 3bzf s ILE 7 N -1.80 0.67 -0.04 2.17 1.01 -1.26 -1.73 121.20 120.22 3bzf s ILE 7 Ca 0.49 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.83 3bzf s ILE 7 Cb -0.12 -0.59 0.02 0.00 0.01 0.00 0.00 42.46 41.78 3bzf s ILE 7 CO 0.19 0.21 -0.03 -1.10 0.00 0.00 0.00 174.94 174.21 3bzf s GLN 8 N 0.13 0.66 -0.12 2.79 -0.21 -0.59 -4.98 119.66 117.34 3bzf s GLN 8 Ca -0.02 -0.04 -0.04 0.00 0.02 0.00 0.00 55.36 55.28 3bzf s GLN 8 Cb -0.07 -0.74 -0.03 0.00 1.00 0.00 0.00 33.01 33.17 3bzf s GLN 8 CO 0.00 -0.11 0.02 0.08 -2.12 0.00 0.00 175.29 173.17 3bzf s VAL 9 N 0.99 4.47 -0.14 1.09 1.01 -1.26 -0.23 120.40 126.32 3bzf s VAL 9 Ca -0.10 -0.18 -0.34 0.00 0.00 0.00 0.00 61.98 61.37 3bzf s VAL 9 Cb -0.14 -2.92 0.13 0.00 0.00 0.00 0.00 36.38 33.45 3bzf s VAL 9 CO -0.01 0.56 1.13 -0.72 0.00 0.00 0.00 175.10 176.07 3bzf s TYR 10 N -0.48 -0.18 0.43 5.22 1.13 -0.69 -4.66 117.35 118.12 3bzf s TYR 10 Ca 0.09 0.11 -0.06 0.00 -1.41 0.00 0.00 57.07 55.80 3bzf s TYR 10 Cb -0.12 0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 3bzf s TYR 10 CO 0.02 -0.29 0.74 -1.54 -2.51 0.00 0.00 175.55 171.98 3bzf s SER 11 N -2.26 6.35 0.11 -0.18 1.04 -1.26 -0.88 113.70 116.62 3bzf s SER 11 Ca 0.08 0.93 -0.13 0.00 0.48 0.00 0.00 55.95 57.32 3bzf s SER 11 Cb -0.01 -2.24 -0.11 0.00 0.10 0.00 0.00 66.02 63.76 3bzf s SER 11 CO -0.06 -0.47 1.38 -0.09 0.98 0.00 0.00 173.24 174.98 3bzf h ARG 12 N 0.69 0.83 -6.44 4.02 2.43 -1.56 -3.45 114.38 110.89 3bzf h ARG 12 Ca -0.47 -0.55 -0.62 0.00 -0.81 0.00 0.00 59.98 57.53 3bzf h ARG 12 Cb 1.20 0.07 -0.20 0.00 -0.42 0.00 0.00 29.97 30.63 3bzf h ARG 12 CO 0.63 1.18 -0.82 -1.01 -1.51 0.00 0.00 179.97 178.43 3bzf s HIS 13 N -4.07 2.11 -0.13 2.20 3.76 -1.26 -5.01 115.29 112.89 3bzf s HIS 13 Ca -0.11 -0.40 -0.39 0.00 -0.15 0.00 0.00 55.06 54.02 3bzf s HIS 13 Cb 0.09 -1.08 -0.16 0.00 1.11 0.00 0.00 32.58 32.54 3bzf s HIS 13 CO 0.88 0.38 1.59 -2.30 -0.85 0.00 0.00 174.74 174.45 3bzf n PRO 14 N 0.52 1.17 -2.08 8.40 -0.02 -1.26 -4.82 135.00 136.91 3bzf n PRO 14 Ca -0.15 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.35 3bzf n PRO 14 Cb 0.55 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 3bzf n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bzf s ALA 15 N 2.35 3.57 -0.21 3.55 0.00 -1.26 -5.00 121.76 124.77 3bzf s ALA 15 Ca 0.93 1.26 -0.04 0.00 0.00 0.00 0.00 51.96 54.11 3bzf s ALA 15 Cb -1.02 -3.52 0.10 0.00 0.00 0.00 0.00 23.12 18.69 3bzf s ALA 15 CO 0.58 -0.67 0.35 -2.00 0.00 0.00 0.00 175.76 174.02 3bzf s GLU 16 N -0.63 0.29 0.10 0.00 2.12 -1.26 -5.12 118.70 114.19 3bzf s GLU 16 Ca 0.56 0.69 -0.35 0.00 0.36 0.00 0.00 54.97 56.23 3bzf s GLU 16 Cb -0.40 -0.23 -0.18 0.00 0.26 0.00 0.00 34.13 33.57 3bzf s GLU 16 CO 0.44 -0.47 0.95 0.09 -0.54 0.00 0.00 175.26 175.74 3bzf n ASN 17 N 5.37 0.02 0.00 -1.70 3.02 -1.26 -1.72 115.26 118.99 3bzf n ASN 17 Ca -0.06 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 3bzf n ASN 17 Cb 0.50 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 3bzf n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bzf n GLY 18 N 1.80 2.17 3.66 7.41 0.00 -0.71 -4.99 105.19 114.53 3bzf n GLY 18 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3bzf n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bzf s LYS 19 N 0.00 4.25 0.39 1.61 -0.14 -0.70 -4.90 119.74 120.26 3bzf s LYS 19 Ca 0.00 0.91 -0.26 0.00 -1.36 0.00 0.00 55.97 55.26 3bzf s LYS 19 Cb 0.00 -3.59 -0.11 0.00 -1.68 0.00 0.00 37.83 32.45 3bzf s LYS 19 CO 0.00 -0.35 1.22 0.45 -0.76 0.00 0.00 175.35 175.91 3bzf n SER 20 N 5.35 2.31 0.00 2.83 2.88 -1.26 -4.33 113.62 121.40 3bzf n SER 20 Ca 0.03 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 3bzf n SER 20 Cb 0.49 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 3bzf n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3bzf n ASN 21 N 0.46 0.00 -3.90 -3.46 2.85 0.14 -4.98 115.26 106.37 3bzf n ASN 21 Ca 0.07 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.38 3bzf n ASN 21 Cb 0.38 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.25 3bzf n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3bzf s PHE 22 N -1.75 0.34 -0.29 1.20 0.08 -1.26 -2.51 117.98 113.80 3bzf s PHE 22 Ca 0.00 -0.05 -0.10 0.00 0.12 0.00 0.00 56.93 56.90 3bzf s PHE 22 Cb 0.00 -0.28 -0.03 0.00 -0.57 0.00 0.00 43.02 42.14 3bzf s PHE 22 CO 0.00 -0.05 0.15 -1.17 -0.10 0.00 0.00 175.22 174.05 3bzf s LEU 23 N 0.24 3.92 -0.04 -0.37 2.96 -0.49 -1.25 118.68 123.64 3bzf s LEU 23 Ca -0.02 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 3bzf s LEU 23 Cb -0.05 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3bzf s LEU 23 CO -0.01 -0.11 -0.06 0.20 -1.32 0.00 0.00 176.35 175.06 3bzf s ASN 24 N 1.67 4.69 -0.40 3.68 0.01 -0.06 -2.20 114.94 122.32 3bzf s ASN 24 Ca 0.06 -0.05 0.02 0.00 -0.71 0.00 0.00 52.86 52.17 3bzf s ASN 24 Cb -0.16 -1.16 0.12 0.00 0.41 0.00 0.00 41.25 40.46 3bzf s ASN 24 CO 0.07 0.33 0.18 0.00 -1.51 0.00 0.00 177.10 176.18 3bzf s TYR 26 N 0.69 2.67 -0.13 0.00 5.04 0.68 -2.57 117.35 123.74 3bzf s TYR 26 Ca 0.15 0.06 -0.12 0.00 -2.44 0.00 0.00 57.07 54.71 3bzf s TYR 26 Cb -0.22 -4.28 -0.05 0.00 0.35 0.00 0.00 41.96 37.76 3bzf s TYR 26 CO -0.07 -1.53 0.27 0.08 -1.34 0.00 0.00 175.55 172.96 3bzf s VAL 27 N 4.45 5.31 0.30 3.14 1.01 -0.49 -1.54 120.40 132.56 3bzf s VAL 27 Ca 0.34 0.50 -0.17 0.00 0.00 0.00 0.00 61.98 62.65 3bzf s VAL 27 Cb -0.11 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.70 3bzf s VAL 27 CO 0.20 0.47 0.67 -0.94 0.00 0.00 0.00 175.10 175.49 3bzf s SER 28 N -0.07 -0.11 0.00 3.32 1.04 -0.70 -0.72 113.70 116.45 3bzf s SER 28 Ca 0.17 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.77 3bzf s SER 28 Cb -0.13 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3bzf s SER 28 CO 0.05 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.52 3bzf n GLY 29 N -0.46 0.45 3.72 7.32 0.00 -0.55 -0.09 105.19 115.57 3bzf n GLY 29 Ca -0.04 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 3bzf n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bzf s PHE 30 N -2.00 2.64 -0.29 1.61 -0.71 -1.20 -4.18 117.98 113.85 3bzf s PHE 30 Ca 0.00 -0.46 -0.21 0.00 -1.04 0.00 0.00 56.93 55.23 3bzf s PHE 30 Cb 0.00 -1.72 0.16 0.00 -1.21 0.00 0.00 43.02 40.26 3bzf s PHE 30 CO 0.00 0.31 1.17 -1.58 -1.34 0.00 0.00 175.22 173.78 3bzf s HIS 31 N -2.50 -0.31 0.50 3.49 2.46 -1.26 -0.48 115.29 117.19 3bzf s HIS 31 Ca 0.38 0.69 -0.08 0.00 0.47 0.00 0.00 55.06 56.52 3bzf s HIS 31 Cb -0.00 0.32 0.12 0.00 -0.13 0.00 0.00 32.58 32.90 3bzf s HIS 31 CO 0.22 -0.15 0.45 -0.35 -2.47 0.00 0.00 174.74 172.44 3bzf n PRO 32 N 2.64 -1.83 0.09 2.88 -0.04 -1.26 -4.88 135.00 132.59 3bzf n PRO 32 Ca -0.15 -0.72 -0.02 0.00 -0.04 0.00 0.00 63.50 62.58 3bzf n PRO 32 Cb 0.57 -0.66 -0.05 0.00 -0.04 0.00 0.00 33.50 33.31 3bzf n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bzf h SER 33 N -1.68 0.00 -2.05 3.54 4.64 -1.99 -3.45 113.55 112.56 3bzf h SER 33 Ca -0.17 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.54 3bzf h SER 33 Cb 0.51 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.62 3bzf h SER 33 CO 0.11 0.71 1.07 0.47 -0.87 0.00 0.00 176.83 178.32 3bzf n ASP 34 N -3.20 3.41 -3.75 4.97 8.00 -1.26 -4.95 116.55 119.77 3bzf n ASP 34 Ca -0.02 0.98 -0.13 0.00 0.71 0.00 0.00 54.79 56.33 3bzf n ASP 34 Cb 0.84 -1.38 -0.09 0.00 -0.02 0.00 0.00 41.12 40.47 3bzf n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3bzf s ILE 35 N 3.78 0.03 -0.28 0.53 2.07 -1.26 -4.74 121.20 121.33 3bzf s ILE 35 Ca 0.91 -0.26 0.00 0.00 -1.41 0.00 0.00 60.65 59.89 3bzf s ILE 35 Cb -0.69 -0.57 0.05 0.00 0.13 0.00 0.00 42.46 41.38 3bzf s ILE 35 CO 0.50 -0.15 -0.05 -0.70 -1.91 0.00 0.00 174.94 172.63 3bzf s GLU 36 N -0.68 2.39 -0.20 3.50 2.12 -0.52 -5.00 118.70 120.31 3bzf s GLU 36 Ca -0.08 -1.27 0.01 0.00 0.36 0.00 0.00 54.97 53.99 3bzf s GLU 36 Cb -0.04 -3.03 0.03 0.00 0.26 0.00 0.00 34.13 31.35 3bzf s GLU 36 CO 0.03 -0.58 -0.16 0.08 -0.54 0.00 0.00 175.26 174.09 3bzf s VAL 37 N 1.19 1.95 0.06 3.70 1.01 -1.26 -0.34 120.40 126.70 3bzf s VAL 37 Ca -0.06 -1.06 0.09 0.00 0.00 0.00 0.00 61.98 60.94 3bzf s VAL 37 Cb -0.20 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3bzf s VAL 37 CO -0.03 0.35 -0.23 -1.81 0.00 0.00 0.00 175.10 173.38 3bzf s ASP 38 N 1.29 3.47 -0.20 3.32 1.01 0.02 -4.98 116.67 120.61 3bzf s ASP 38 Ca 0.01 -0.54 -0.08 0.00 0.71 0.00 0.00 52.55 52.65 3bzf s ASP 38 Cb -0.15 -0.42 -0.04 0.00 1.01 0.00 0.00 42.92 43.32 3bzf s ASP 38 CO -0.10 0.24 0.08 -0.76 0.21 0.00 0.00 175.17 174.84 3bzf s LEU 39 N -1.47 3.85 -0.03 1.23 1.02 -1.26 -1.13 118.68 120.90 3bzf s LEU 39 Ca 0.13 0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.37 3bzf s LEU 39 Cb -0.10 -1.99 -0.03 0.00 0.02 0.00 0.00 46.19 44.09 3bzf s LEU 39 CO 0.04 0.15 -0.03 -0.76 0.02 0.00 0.00 176.35 175.77 3bzf s LEU 40 N 0.54 3.35 -0.33 1.79 1.43 -0.30 -0.01 118.68 125.15 3bzf s LEU 40 Ca 0.04 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3bzf s LEU 40 Cb -0.13 -1.86 0.09 0.00 0.03 0.00 0.00 46.19 44.32 3bzf s LEU 40 CO 0.01 0.31 0.03 -0.75 0.23 0.00 0.00 176.35 176.19 3bzf s LYS 41 N -1.25 1.79 -1.11 1.70 2.20 0.49 -1.69 119.74 121.87 3bzf s LYS 41 Ca 0.16 -1.71 -0.07 0.00 -0.36 0.00 0.00 55.97 54.00 3bzf s LYS 41 Cb -0.11 -3.19 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 3bzf s LYS 41 CO 0.06 -0.86 0.97 0.09 -0.36 0.00 0.00 175.35 175.25 3bzf n ASN 42 N 4.37 -5.25 0.00 1.43 5.03 0.51 -0.43 115.26 120.93 3bzf n ASN 42 Ca -0.02 -0.45 0.00 0.00 0.87 0.00 0.00 54.58 54.98 3bzf n ASN 42 Cb 0.42 -4.26 0.00 0.00 -1.02 0.00 0.00 39.78 34.92 3bzf n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bzf n GLY 43 N -1.68 2.09 3.56 7.41 0.00 -1.26 -4.98 105.19 110.32 3bzf n GLY 43 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3bzf n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bzf s GLU 44 N -0.03 3.71 -0.27 1.61 0.41 0.43 -5.00 118.70 119.56 3bzf s GLU 44 Ca 0.00 -0.37 -0.39 0.00 -0.41 0.00 0.00 54.97 53.81 3bzf s GLU 44 Cb 0.00 -3.75 -0.15 0.00 -1.78 0.00 0.00 34.13 28.46 3bzf s GLU 44 CO 0.00 -0.39 1.85 -2.13 -0.49 0.00 0.00 175.26 174.10 3bzf n ARG 45 N 5.24 1.26 -2.73 1.61 0.00 -1.26 -0.38 116.66 120.40 3bzf n ARG 45 Ca -0.11 0.45 -0.38 0.00 -0.00 0.00 0.00 57.85 57.81 3bzf n ARG 45 Cb 0.50 -2.22 -0.06 0.00 0.00 0.00 0.00 32.46 30.68 3bzf n ARG 45 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3bzf s ILE 46 N 4.28 4.07 0.25 5.15 1.01 0.98 -4.88 121.20 132.06 3bzf s ILE 46 Ca 1.00 1.83 0.01 0.00 0.00 0.00 0.00 60.65 63.49 3bzf s ILE 46 Cb -1.00 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 37.36 3bzf s ILE 46 CO 0.61 0.25 0.43 -1.61 0.00 0.00 0.00 174.94 174.63 3bzf s GLU 47 N -1.78 3.50 -1.49 2.79 0.41 -1.26 -4.45 118.70 116.42 3bzf s GLU 47 Ca 0.48 -0.41 0.00 0.00 -0.41 0.00 0.00 54.97 54.63 3bzf s GLU 47 Cb -0.22 -2.80 0.00 0.00 -1.78 0.00 0.00 34.13 29.33 3bzf s GLU 47 CO 0.28 0.34 0.00 1.63 -0.49 0.00 0.00 175.26 177.02 3bzf n LYS 48 N -1.09 -1.29 -2.37 1.61 5.02 -1.26 -4.97 118.16 113.81 3bzf n LYS 48 Ca -0.05 0.86 -0.41 0.00 -2.02 0.00 0.00 58.31 56.68 3bzf n LYS 48 Cb 0.55 -5.24 -0.03 0.00 -0.02 0.00 0.00 35.03 30.29 3bzf n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bzf s VAL 49 N -2.79 3.62 0.33 -0.18 1.01 -1.26 -4.99 120.40 116.14 3bzf s VAL 49 Ca 0.00 1.32 0.07 0.00 0.00 0.00 0.00 61.98 63.37 3bzf s VAL 49 Cb 0.00 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3bzf s VAL 49 CO 0.00 0.19 0.35 -1.61 0.00 0.00 0.00 175.10 174.03 3bzf s GLU 50 N 0.01 2.89 0.04 2.72 2.02 -0.93 -4.92 118.70 120.54 3bzf s GLU 50 Ca 0.54 -1.17 -0.09 0.00 0.02 0.00 0.00 54.97 54.27 3bzf s GLU 50 Cb -0.32 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.30 3bzf s GLU 50 CO 0.35 0.11 0.19 -3.38 0.02 0.00 0.00 175.26 172.55 3bzf s HIS 51 N -2.24 0.07 1.01 1.61 -3.43 -1.26 -1.19 115.29 109.86 3bzf s HIS 51 Ca 0.42 -0.31 -0.12 0.00 -0.80 0.00 0.00 55.06 54.24 3bzf s HIS 51 Cb -0.07 -0.04 0.19 0.00 -1.43 0.00 0.00 32.58 31.23 3bzf s HIS 51 CO 0.28 -0.43 1.09 -1.54 -2.00 0.00 0.00 174.74 172.14 3bzf s SER 52 N -2.13 2.50 0.48 7.38 1.04 -0.42 -4.96 113.70 117.59 3bzf s SER 52 Ca -0.05 1.25 -0.23 0.00 0.48 0.00 0.00 55.95 57.41 3bzf s SER 52 Cb -0.01 -1.93 -0.07 0.00 0.10 0.00 0.00 66.02 64.11 3bzf s SER 52 CO -0.04 -3.22 1.22 -1.81 0.98 0.00 0.00 173.24 170.37 3bzf s ASP 53 N -3.35 5.96 0.06 7.02 1.01 -1.26 -4.72 116.67 121.40 3bzf s ASP 53 Ca 0.65 2.43 -0.31 0.00 0.71 0.00 0.00 52.55 56.04 3bzf s ASP 53 Cb -0.19 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.04 3bzf s ASP 53 CO 0.58 -1.07 1.71 -0.22 0.21 0.00 0.00 175.17 176.39 3bzf s LEU 54 N -3.11 4.37 0.00 1.23 2.96 -1.26 -4.86 118.68 118.01 3bzf s LEU 54 Ca 0.65 2.52 0.03 0.00 -0.22 0.00 0.00 54.13 57.11 3bzf s LEU 54 Cb -0.32 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.80 3bzf s LEU 54 CO 0.38 -0.93 0.22 -0.24 -1.32 0.00 0.00 176.35 174.46 3bzf n SER 55 N 5.97 -0.57 -3.53 3.68 2.88 -1.21 -5.04 113.62 115.80 3bzf n SER 55 Ca 0.17 -2.33 -0.13 0.00 -1.33 0.00 0.00 58.87 55.24 3bzf n SER 55 Cb 0.40 1.22 -0.04 0.00 -0.75 0.00 0.00 64.21 65.04 3bzf n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3bzf s PHE 56 N -3.08 -0.44 0.70 0.66 -0.12 -1.26 -1.97 117.98 112.46 3bzf s PHE 56 Ca 0.23 0.39 -0.05 0.00 -0.05 0.00 0.00 56.93 57.45 3bzf s PHE 56 Cb 0.01 0.40 0.08 0.00 -0.63 0.00 0.00 43.02 42.88 3bzf s PHE 56 CO 0.17 -0.71 1.00 -1.12 -0.05 0.00 0.00 175.22 174.50 3bzf s SER 57 N -2.27 4.66 0.53 1.98 0.01 -0.48 -4.92 113.70 113.22 3bzf s SER 57 Ca -0.03 0.22 0.20 0.00 1.31 0.00 0.00 55.95 57.66 3bzf s SER 57 Cb -0.00 -0.81 1.37 0.00 0.21 0.00 0.00 66.02 66.79 3bzf s SER 57 CO -0.06 -1.67 2.11 0.50 0.41 0.00 0.00 173.24 174.54 3bzf h LYS 58 N -0.57 0.00 -0.04 12.44 3.64 -2.03 0.13 116.57 130.15 3bzf h LYS 58 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3bzf h LYS 58 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3bzf h LYS 58 CO 0.53 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.31 3bzf n ASP 59 N -4.39 0.31 0.00 4.20 5.75 -1.26 -4.87 116.55 116.28 3bzf n ASP 59 Ca 0.01 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 3bzf n ASP 59 Cb 0.24 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 3bzf n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3bzf n TRP 60 N -0.54 0.00 -2.82 2.11 7.02 0.44 -5.04 117.44 118.62 3bzf n TRP 60 Ca 0.12 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.23 3bzf n TRP 60 Cb 0.10 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.93 3bzf n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3bzf s SER 61 N -3.27 7.31 0.65 -0.99 1.04 -1.26 -4.66 113.70 112.52 3bzf s SER 61 Ca 0.00 1.79 -0.06 0.00 0.48 0.00 0.00 55.95 58.16 3bzf s SER 61 Cb 0.00 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.60 3bzf s SER 61 CO 0.00 -0.05 0.96 -0.36 0.98 0.00 0.00 173.24 174.77 3bzf s PHE 62 N -1.60 3.06 -0.15 5.02 0.08 0.37 -1.38 117.98 123.39 3bzf s PHE 62 Ca 0.49 0.52 -0.24 0.00 0.12 0.00 0.00 56.93 57.83 3bzf s PHE 62 Cb -0.18 -2.98 0.06 0.00 -0.57 0.00 0.00 43.02 39.34 3bzf s PHE 62 CO 0.23 -1.14 0.60 1.52 -0.10 0.00 0.00 175.22 176.33 3bzf s TYR 63 N -3.12 -0.61 0.01 0.36 -0.85 -0.83 -1.48 117.35 110.83 3bzf s TYR 63 Ca 0.57 1.31 -0.05 0.00 -0.52 0.00 0.00 57.07 58.38 3bzf s TYR 63 Cb -0.11 0.27 -0.01 0.00 0.38 0.00 0.00 41.96 42.50 3bzf s TYR 63 CO 0.45 -0.42 0.08 -0.51 -1.52 0.00 0.00 175.55 173.63 3bzf s LEU 64 N -0.36 1.78 -0.22 -3.49 1.43 0.10 -3.32 118.68 114.60 3bzf s LEU 64 Ca -0.05 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3bzf s LEU 64 Cb -0.03 0.48 0.04 0.00 0.03 0.00 0.00 46.19 46.71 3bzf s LEU 64 CO 0.04 -0.34 -0.14 -0.22 0.23 0.00 0.00 176.35 175.92 3bzf s LEU 65 N -1.38 2.79 -0.03 1.79 2.96 -1.26 -1.39 118.68 122.16 3bzf s LEU 65 Ca -0.15 -1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 52.63 3bzf s LEU 65 Cb -0.08 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 3bzf s LEU 65 CO 0.01 -0.12 0.24 -0.31 -1.32 0.00 0.00 176.35 174.86 3bzf s TYR 66 N 1.22 3.60 0.15 5.38 1.51 -1.06 -1.30 117.35 126.84 3bzf s TYR 66 Ca -0.03 0.60 -0.23 0.00 -1.01 0.00 0.00 57.07 56.40 3bzf s TYR 66 Cb -0.17 -2.00 0.07 0.00 -0.11 0.00 0.00 41.96 39.75 3bzf s TYR 66 CO -0.08 0.65 0.64 1.52 -1.11 0.00 0.00 175.55 177.17 3bzf s TYR 67 N -1.20 -0.50 -0.06 2.71 1.13 -0.33 -0.95 117.35 118.15 3bzf s TYR 67 Ca 0.23 0.28 -0.31 0.00 -1.41 0.00 0.00 57.07 55.87 3bzf s TYR 67 Cb -0.13 0.57 0.08 0.00 -1.10 0.00 0.00 41.96 41.38 3bzf s TYR 67 CO 0.12 -0.84 0.73 -0.08 -2.51 0.00 0.00 175.55 172.97 3bzf s THR 68 N -3.69 0.00 0.69 -3.49 -1.32 -0.94 -2.18 115.64 104.71 3bzf s THR 68 Ca 0.02 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.35 3bzf s THR 68 Cb -0.01 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.00 3bzf s THR 68 CO -0.11 0.00 1.14 -1.61 -2.21 0.00 0.00 174.62 171.83 3bzf s GLU 69 N -1.28 2.52 -0.19 7.08 2.02 -1.26 -1.40 118.70 126.18 3bzf s GLU 69 Ca -0.09 1.52 -0.32 0.00 0.02 0.00 0.00 54.97 56.09 3bzf s GLU 69 Cb -0.00 -1.90 0.15 0.00 0.10 0.00 0.00 34.13 32.47 3bzf s GLU 69 CO 0.08 -1.49 1.18 -0.59 0.02 0.00 0.00 175.26 174.45 3bzf s PHE 70 N -2.24 -0.17 -0.22 1.61 -0.71 -1.04 -4.77 117.98 110.45 3bzf s PHE 70 Ca 0.69 0.19 -0.01 0.00 -1.04 0.00 0.00 56.93 56.77 3bzf s PHE 70 Cb -0.23 0.50 0.06 0.00 -1.21 0.00 0.00 43.02 42.14 3bzf s PHE 70 CO 0.43 -0.22 -0.01 0.99 -1.34 0.00 0.00 175.22 175.07 3bzf s THR 71 N -1.89 1.06 -0.04 -4.49 2.01 -1.26 0.26 115.64 111.29 3bzf s THR 71 Ca 0.07 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 3bzf s THR 71 Cb -0.01 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 3bzf s THR 71 CO -0.04 -0.15 1.23 -2.16 -0.69 0.00 0.00 174.62 172.80 3bzf s PRO 72 N 1.61 4.35 0.66 4.92 0.04 -1.26 -4.83 135.00 140.49 3bzf s PRO 72 Ca -0.04 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.76 3bzf s PRO 72 Cb -0.18 -3.54 0.12 0.00 0.04 0.00 0.00 34.50 30.94 3bzf s PRO 72 CO -0.07 -0.45 0.91 2.41 0.04 0.00 0.00 177.00 179.84 3bzf n THR 73 N 4.56 0.00 0.10 1.26 -1.04 -1.26 -1.74 114.28 116.16 3bzf n THR 73 Ca 0.11 -1.68 0.02 0.00 -2.04 0.00 0.00 64.05 60.45 3bzf n THR 73 Cb 0.46 -0.76 -0.02 0.00 -1.82 0.00 0.00 70.33 68.19 3bzf n THR 73 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3bzf h GLU 74 N 0.00 0.00 0.00 -2.82 4.81 -1.99 -3.37 114.58 111.21 3bzf h GLU 74 Ca -0.30 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 3bzf h GLU 74 Cb 1.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 3bzf h GLU 74 CO 0.36 0.42 -1.74 0.36 -0.73 0.00 0.00 179.01 177.68 3bzf n LYS 75 N -3.08 0.57 -2.33 1.92 2.85 -1.26 -4.98 118.16 111.84 3bzf n LYS 75 Ca -0.03 -0.13 -0.36 0.00 -1.05 0.00 0.00 58.31 56.74 3bzf n LYS 75 Cb 0.77 -1.37 -0.01 0.00 -0.65 0.00 0.00 35.03 33.77 3bzf n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3bzf s ASP 76 N -3.89 6.13 -0.01 -5.58 1.01 -1.26 -5.03 116.67 108.04 3bzf s ASP 76 Ca -0.06 2.19 0.05 0.00 0.71 0.00 0.00 52.55 55.43 3bzf s ASP 76 Cb 0.10 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 3bzf s ASP 76 CO 0.65 -0.94 -0.15 -1.61 0.21 0.00 0.00 175.17 173.33 3bzf s GLU 77 N -2.91 1.22 0.04 8.23 2.02 -1.26 -4.75 118.70 121.29 3bzf s GLU 77 Ca 0.66 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 55.14 3bzf s GLU 77 Cb -0.25 -1.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.78 3bzf s GLU 77 CO 0.30 0.32 -0.09 0.71 0.02 0.00 0.00 175.26 176.52 3bzf s TYR 78 N -0.36 0.80 0.33 1.61 2.02 -1.26 -0.36 117.35 120.14 3bzf s TYR 78 Ca 0.06 -0.45 -0.05 0.00 -0.37 0.00 0.00 57.07 56.25 3bzf s TYR 78 Cb -0.06 -0.47 0.01 0.00 -0.40 0.00 0.00 41.96 41.03 3bzf s TYR 78 CO -0.01 -0.04 0.50 0.00 -1.57 0.00 0.00 175.55 174.44 3bzf s ALA 79 N -1.22 0.46 -0.07 3.71 0.00 -0.68 0.14 121.76 124.09 3bzf s ALA 79 Ca -0.07 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.55 3bzf s ALA 79 Cb -0.09 1.10 0.02 0.00 0.00 0.00 0.00 23.12 24.15 3bzf s ALA 79 CO 0.01 -0.82 -0.05 0.00 0.00 0.00 0.00 175.76 174.90 3bzf s ARG 81 N 1.38 3.28 -0.09 0.00 3.52 -0.28 -1.52 118.95 125.24 3bzf s ARG 81 Ca -0.03 -0.62 -0.00 0.00 -0.13 0.00 0.00 55.73 54.95 3bzf s ARG 81 Cb -0.13 -2.68 0.02 0.00 -1.56 0.00 0.00 34.95 30.60 3bzf s ARG 81 CO -0.03 0.33 -0.07 0.08 -0.81 0.00 0.00 175.30 174.80 3bzf s VAL 82 N 0.07 0.89 -0.00 7.11 1.01 0.51 -0.80 120.40 129.19 3bzf s VAL 82 Ca -0.03 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3bzf s VAL 82 Cb -0.14 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 3bzf s VAL 82 CO 0.04 0.34 -0.05 0.20 0.00 0.00 0.00 175.10 175.62 3bzf s ASN 83 N 1.54 4.75 -0.09 3.32 0.01 0.53 -0.42 114.94 124.59 3bzf s ASN 83 Ca 0.01 -0.10 -0.31 0.00 -0.71 0.00 0.00 52.86 51.75 3bzf s ASN 83 Cb -0.13 -1.15 0.09 0.00 0.41 0.00 0.00 41.25 40.47 3bzf s ASN 83 CO -0.05 0.29 0.77 -2.28 -1.51 0.00 0.00 177.10 174.31 3bzf s HIS 84 N -1.00 -0.59 0.61 2.20 5.65 -1.26 -1.44 115.29 119.45 3bzf s HIS 84 Ca 0.17 1.02 0.32 0.00 0.25 0.00 0.00 55.06 56.83 3bzf s HIS 84 Cb -0.11 0.42 1.89 0.00 -1.18 0.00 0.00 32.58 33.59 3bzf s HIS 84 CO 0.08 -0.53 2.22 -0.24 -0.65 0.00 0.00 174.74 175.61 3bzf h VAL 85 N 2.92 0.37 -0.17 0.89 3.04 -1.95 0.38 116.25 121.73 3bzf h VAL 85 Ca -0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 3bzf h VAL 85 Cb 1.15 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 3bzf h VAL 85 CO 0.36 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.27 3bzf n THR 86 N -3.63 0.22 -3.95 3.17 -2.24 -1.26 -4.76 114.28 101.83 3bzf n THR 86 Ca -0.02 -0.33 -0.35 0.00 -2.27 0.00 0.00 64.05 61.09 3bzf n THR 86 Cb 0.17 0.29 -0.14 0.00 -2.10 0.00 0.00 70.33 68.55 3bzf n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3bzf s LEU 87 N -1.50 2.96 0.61 3.22 1.43 0.12 -4.88 118.68 120.64 3bzf s LEU 87 Ca 0.31 -0.65 0.39 0.00 -1.03 0.00 0.00 54.13 53.14 3bzf s LEU 87 Cb 0.16 -1.68 1.93 0.00 0.03 0.00 0.00 46.19 46.64 3bzf s LEU 87 CO 0.24 -0.07 2.20 0.77 0.23 0.00 0.00 176.35 179.72 3bzf h SER 88 N 8.05 0.00 -4.99 2.29 4.64 -1.85 -3.43 113.55 118.26 3bzf h SER 88 Ca -0.38 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.82 3bzf h SER 88 Cb 1.13 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.02 3bzf h SER 88 CO 0.60 0.01 -0.36 0.00 -0.87 0.00 0.00 176.83 176.21 3bzf s GLN 89 N -3.96 0.61 0.27 4.77 -2.07 -1.26 -5.13 119.66 112.88 3bzf s GLN 89 Ca -0.02 -0.30 -0.31 0.00 -1.82 0.00 0.00 55.36 52.91 3bzf s GLN 89 Cb 0.11 0.26 -0.12 0.00 -1.09 0.00 0.00 33.01 32.18 3bzf s GLN 89 CO 0.48 -0.16 1.55 -0.35 -1.32 0.00 0.00 175.29 175.49 3bzf n PRO 90 N 1.28 2.51 -3.83 9.60 -0.04 -1.26 -4.93 135.00 138.33 3bzf n PRO 90 Ca -0.22 0.89 -0.37 0.00 -0.04 0.00 0.00 63.50 63.77 3bzf n PRO 90 Cb 0.56 -2.65 -0.06 0.00 -0.04 0.00 0.00 33.50 31.31 3bzf n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3bzf s LYS 91 N -0.33 3.53 -0.07 0.54 2.20 0.44 -4.90 119.74 121.16 3bzf s LYS 91 Ca 0.66 -0.08 -0.01 0.00 -0.36 0.00 0.00 55.97 56.18 3bzf s LYS 91 Cb -0.54 -3.21 0.03 0.00 -1.51 0.00 0.00 37.83 32.60 3bzf s LYS 91 CO 0.47 0.74 0.01 0.42 -0.36 0.00 0.00 175.35 176.63 3bzf s ILE 92 N -0.95 0.31 -0.02 5.43 1.01 -1.26 -0.36 121.20 125.37 3bzf s ILE 92 Ca 0.15 0.16 0.06 0.00 0.00 0.00 0.00 60.65 61.02 3bzf s ILE 92 Cb -0.12 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.85 3bzf s ILE 92 CO 0.05 0.25 -0.19 0.54 0.00 0.00 0.00 174.94 175.58 3bzf s VAL 93 N 1.97 1.53 0.07 2.92 0.11 -0.58 -4.98 120.40 121.45 3bzf s VAL 93 Ca 0.05 -0.83 0.02 0.00 -2.93 0.00 0.00 61.98 58.29 3bzf s VAL 93 Cb -0.12 -1.27 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 3bzf s VAL 93 CO -0.05 0.43 0.10 -1.59 -3.33 0.00 0.00 175.10 170.67 3bzf s LYS 94 N -0.43 2.98 0.19 1.54 -2.85 -1.26 -0.11 119.74 119.81 3bzf s LYS 94 Ca 0.07 -0.64 -0.30 0.00 -1.00 0.00 0.00 55.97 54.10 3bzf s LYS 94 Cb -0.08 -2.79 -0.09 0.00 -2.06 0.00 0.00 37.83 32.82 3bzf s LYS 94 CO -0.01 0.58 1.31 -0.46 0.10 0.00 0.00 175.35 176.87 3bzf s TRP 95 N -1.40 3.26 -0.27 1.78 -0.00 0.12 -4.91 118.94 117.51 3bzf s TRP 95 Ca 0.30 1.21 0.01 0.00 -0.00 0.00 0.00 56.10 57.62 3bzf s TRP 95 Cb -0.12 -3.61 0.08 0.00 -0.00 0.00 0.00 33.47 29.82 3bzf s TRP 95 CO 0.23 -1.90 0.00 0.34 -0.00 0.00 0.00 176.95 175.62 3bzf s ASP 96 N 0.38 4.11 0.00 5.86 -1.08 -1.26 -4.80 116.67 119.88 3bzf s ASP 96 Ca 0.57 -1.50 0.00 0.00 -0.52 0.00 0.00 52.55 51.10 3bzf s ASP 96 Cb -0.36 -1.22 0.00 0.00 -1.46 0.00 0.00 42.92 39.88 3bzf s ASP 96 CO 0.38 -0.31 0.78 -2.11 0.52 0.00 0.00 175.17 174.43 3bzf n ARG 97 N 4.61 0.00 0.00 4.34 1.85 -1.26 0.07 116.66 126.27 3bzf n ARG 97 Ca -0.06 0.30 0.13 0.00 -1.00 0.00 0.00 57.85 57.22 3bzf n ARG 97 Cb 0.43 -1.64 0.38 0.00 -1.05 0.00 0.00 32.46 30.59 3bzf n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3bzf n ASP 98 N -1.28 1.61 0.00 2.89 8.00 -1.26 -4.82 116.55 121.69 3bzf n ASP 98 Ca 0.00 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.11 3bzf n ASP 98 Cb 0.14 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3bzf n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04