#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bw1 s HIS -1 N 0.00 2.01 -0.38 1.57 0.00 -1.26 -5.04 115.29 112.20 3bw1 s HIS -1 Ca 0.00 1.13 0.10 0.00 -3.00 0.00 0.00 55.06 53.28 3bw1 s HIS -1 Cb 0.00 -3.21 0.44 0.00 -4.00 0.00 0.00 32.58 25.81 3bw1 s HIS -1 CO 0.00 -2.93 1.08 -0.12 -1.00 0.00 0.00 174.74 171.77 3bw1 n MET 1 N -4.23 2.76 -3.58 -0.38 0.00 -1.26 -5.07 117.12 105.36 3bw1 n MET 1 Ca 0.06 -4.08 -0.37 0.00 -0.00 0.00 0.00 57.70 53.31 3bw1 n MET 1 Cb 0.56 -1.95 -0.07 0.00 0.00 0.00 0.00 33.22 31.76 3bw1 n MET 1 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3bw1 s GLU 2 N -3.46 4.02 0.75 2.12 0.41 -1.26 -5.09 118.70 116.20 3bw1 s GLU 2 Ca 0.42 0.15 -0.11 0.00 -0.41 0.00 0.00 54.97 55.01 3bw1 s GLU 2 Cb 0.41 -3.33 0.05 0.00 -1.78 0.00 0.00 34.13 29.48 3bw1 s GLU 2 CO -0.09 0.46 1.09 0.95 -0.49 0.00 0.00 175.26 177.18 3bw1 s THR 3 N -0.21 3.32 0.19 3.63 -4.23 -1.26 -4.80 115.64 112.28 3bw1 s THR 3 Ca 0.18 0.46 -0.25 0.00 -1.18 0.00 0.00 61.69 60.90 3bw1 s THR 3 Cb -0.14 -2.96 0.06 0.00 1.34 0.00 0.00 72.50 70.80 3bw1 s THR 3 CO 0.07 -0.53 1.55 -0.65 -0.54 0.00 0.00 174.62 174.52 3bw1 h PRO 4 N -0.90 -0.04 -0.53 3.99 0.11 -1.99 -0.50 132.00 132.13 3bw1 h PRO 4 Ca -0.44 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.74 3bw1 h PRO 4 Cb 1.23 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3bw1 h PRO 4 CO 0.52 -0.03 0.35 -0.07 -0.21 0.00 0.00 178.00 178.56 3bw1 h LEU 5 N -0.04 0.40 -0.24 2.35 3.38 -1.99 0.68 115.31 119.84 3bw1 h LEU 5 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3bw1 h LEU 5 Cb 0.51 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3bw1 h LEU 5 CO -0.92 0.26 0.13 0.44 0.09 0.00 0.00 178.44 178.44 3bw1 h ASP 6 N 0.45 0.31 -0.10 -0.43 3.32 -1.48 -2.56 116.42 115.92 3bw1 h ASP 6 Ca 0.23 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 3bw1 h ASP 6 Cb 0.33 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3bw1 h ASP 6 CO -0.06 0.32 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.57 3bw1 h LEU 7 N 0.27 0.44 -1.31 1.55 3.38 -0.01 -2.54 115.31 117.09 3bw1 h LEU 7 Ca 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3bw1 h LEU 7 Cb 0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3bw1 h LEU 7 CO -0.01 0.61 0.18 0.25 0.09 0.00 0.00 178.44 179.56 3bw1 h LEU 8 N 0.42 0.59 -1.10 1.67 5.85 -0.68 -1.36 115.31 120.70 3bw1 h LEU 8 Ca 0.08 -0.07 0.31 0.00 0.84 0.00 0.00 57.88 59.05 3bw1 h LEU 8 Cb 0.50 -0.15 -0.13 0.00 0.37 0.00 0.00 40.66 41.24 3bw1 h LEU 8 CO 0.03 0.54 0.62 0.11 -0.34 0.00 0.00 178.44 179.40 3bw1 h LYS 9 N 0.65 0.34 -0.20 1.25 1.57 -1.05 -0.56 116.57 118.57 3bw1 h LYS 9 Ca 0.16 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 3bw1 h LYS 9 Cb 0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3bw1 h LYS 9 CO -0.01 0.23 0.28 -0.07 -0.57 0.00 0.00 179.45 179.31 3bw1 h LEU 10 N 0.35 0.00 -0.65 2.94 3.38 -1.35 0.14 115.31 120.12 3bw1 h LEU 10 Ca 0.71 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.68 3bw1 h LEU 10 Cb 1.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.43 3bw1 h LEU 10 CO -0.52 0.00 -0.02 0.59 0.09 0.00 0.00 178.44 178.58 3bw1 n ASN 11 N -3.54 1.04 -4.74 -0.43 3.02 -0.22 -4.86 115.26 105.52 3bw1 n ASN 11 Ca 0.02 -1.28 -0.42 0.00 -0.03 0.00 0.00 54.58 52.88 3bw1 n ASN 11 Cb 0.40 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.56 3bw1 n ASN 11 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bw1 s LEU 12 N -2.06 4.35 0.00 3.41 1.43 0.48 -0.81 118.68 125.48 3bw1 s LEU 12 Ca 0.39 2.91 0.00 0.00 -1.03 0.00 0.00 54.13 56.40 3bw1 s LEU 12 Cb 0.21 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.80 3bw1 s LEU 12 CO 0.36 -0.91 0.00 -0.67 0.23 0.00 0.00 176.35 175.36 3bw1 n ASP 13 N 2.59 -2.40 -4.94 2.29 2.03 0.91 -4.96 116.55 112.07 3bw1 n ASP 13 Ca 0.10 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.17 3bw1 n ASP 13 Cb 0.37 -1.36 -0.03 0.00 -0.72 0.00 0.00 41.12 39.38 3bw1 n ASP 13 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3bw1 s GLU 14 N -0.61 3.39 0.29 -0.67 0.41 0.01 -4.80 118.70 116.72 3bw1 s GLU 14 Ca 0.00 -0.71 -0.29 0.00 -0.41 0.00 0.00 54.97 53.56 3bw1 s GLU 14 Cb 0.00 -2.89 -0.10 0.00 -1.78 0.00 0.00 34.13 29.36 3bw1 s GLU 14 CO 0.00 0.47 1.32 1.03 -0.49 0.00 0.00 175.26 177.60 3bw1 s ARG 15 N -3.59 4.36 -0.04 1.61 1.81 -1.26 -1.52 118.95 120.31 3bw1 s ARG 15 Ca 0.34 2.18 -0.04 0.00 -1.72 0.00 0.00 55.73 56.49 3bw1 s ARG 15 Cb -0.10 -3.11 0.01 0.00 -0.45 0.00 0.00 34.95 31.30 3bw1 s ARG 15 CO 0.28 -0.23 0.11 0.54 -0.68 0.00 0.00 175.30 175.33 3bw1 s VAL 16 N -0.66 0.00 -0.14 3.52 0.11 -0.06 -4.04 120.40 119.13 3bw1 s VAL 16 Ca 0.52 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.53 3bw1 s VAL 16 Cb -0.39 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 3bw1 s VAL 16 CO 0.47 -0.02 -0.09 -0.47 -3.33 0.00 0.00 175.10 171.67 3bw1 s TYR 17 N -0.00 2.91 -0.07 1.54 5.04 0.08 -1.54 117.35 125.31 3bw1 s TYR 17 Ca -0.01 -0.45 0.05 0.00 -2.44 0.00 0.00 57.07 54.23 3bw1 s TYR 17 Cb -0.01 -1.88 -0.00 0.00 0.35 0.00 0.00 41.96 40.41 3bw1 s TYR 17 CO 0.00 -0.10 -0.23 0.42 -1.34 0.00 0.00 175.55 174.30 3bw1 s ILE 18 N 0.27 1.95 -0.17 3.14 1.01 0.22 -0.26 121.20 127.35 3bw1 s ILE 18 Ca -0.06 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.58 3bw1 s ILE 18 Cb -0.15 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 3bw1 s ILE 18 CO 0.04 0.54 -0.09 -0.75 0.00 0.00 0.00 174.94 174.68 3bw1 s LYS 19 N 0.07 3.40 0.58 2.79 2.20 -0.82 -1.41 119.74 126.56 3bw1 s LYS 19 Ca -0.10 -0.65 0.05 0.00 -0.36 0.00 0.00 55.97 54.92 3bw1 s LYS 19 Cb -0.15 -2.81 0.08 0.00 -1.51 0.00 0.00 37.83 33.44 3bw1 s LYS 19 CO 0.05 0.03 0.80 -0.51 -0.36 0.00 0.00 175.35 175.37 3bw1 s LEU 20 N 0.84 3.20 0.11 5.43 1.43 0.48 -0.81 118.68 129.36 3bw1 s LEU 20 Ca -0.03 -0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 52.31 3bw1 s LEU 20 Cb -0.15 -2.11 -0.15 0.00 0.03 0.00 0.00 46.19 43.82 3bw1 s LEU 20 CO 0.01 -1.35 0.57 0.54 0.23 0.00 0.00 176.35 176.35 3bw1 n ARG 21 N -2.35 0.00 -2.16 1.70 5.12 -0.09 -1.06 116.66 117.83 3bw1 n ARG 21 Ca 0.13 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.85 3bw1 n ARG 21 Cb 0.61 -0.95 -0.03 0.00 -1.16 0.00 0.00 32.46 30.93 3bw1 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3bw1 n GLY 22 N 1.49 0.20 2.29 -0.13 0.00 -1.26 -3.65 105.19 104.13 3bw1 n GLY 22 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3bw1 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bw1 n ALA 23 N -1.07 -0.25 -1.85 4.61 0.00 -0.22 -5.01 120.51 116.72 3bw1 n ALA 23 Ca -0.22 0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 3bw1 n ALA 23 Cb 0.67 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 3bw1 n ALA 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3bw1 s ARG 24 N -3.67 4.55 0.20 0.00 0.52 -1.24 -4.86 118.95 114.44 3bw1 s ARG 24 Ca 0.00 1.90 0.10 0.00 -0.52 0.00 0.00 55.73 57.21 3bw1 s ARG 24 Cb 0.00 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 3bw1 s ARG 24 CO 0.00 0.05 -0.21 0.95 0.02 0.00 0.00 175.30 176.11 3bw1 s THR 25 N -0.82 2.18 0.03 0.02 -4.23 -1.26 -0.38 115.64 111.18 3bw1 s THR 25 Ca 0.48 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3bw1 s THR 25 Cb -0.34 -2.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 3bw1 s THR 25 CO 0.42 -0.24 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.45 3bw1 s LEU 26 N -2.83 2.29 0.04 4.79 1.02 -0.50 -2.25 118.68 121.25 3bw1 s LEU 26 Ca 0.21 -0.61 0.05 0.00 0.02 0.00 0.00 54.13 53.79 3bw1 s LEU 26 Cb -0.06 0.06 -0.02 0.00 0.02 0.00 0.00 46.19 46.18 3bw1 s LEU 26 CO 0.10 -0.34 -0.13 -0.69 0.02 0.00 0.00 176.35 175.31 3bw1 s VAL 27 N -1.93 1.05 0.00 -1.59 1.01 -0.46 -0.61 120.40 117.87 3bw1 s VAL 27 Ca -0.10 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.89 3bw1 s VAL 27 Cb -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3bw1 s VAL 27 CO -0.02 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.66 3bw1 n GLY 28 N 1.89 -0.50 3.70 4.51 0.00 -0.59 -0.27 105.19 113.92 3bw1 n GLY 28 Ca -0.18 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 3bw1 n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bw1 s THR 29 N -2.00 5.02 -0.10 2.61 2.01 0.62 -0.88 115.64 122.92 3bw1 s THR 29 Ca 0.00 1.40 -0.29 0.00 0.31 0.00 0.00 61.69 63.11 3bw1 s THR 29 Cb 0.00 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 3bw1 s THR 29 CO 0.00 0.19 1.55 -0.22 -0.69 0.00 0.00 174.62 175.44 3bw1 s LEU 30 N 1.26 4.23 -0.21 4.42 2.96 -0.58 -0.84 118.68 129.93 3bw1 s LEU 30 Ca 0.35 2.02 0.04 0.00 -0.22 0.00 0.00 54.13 56.32 3bw1 s LEU 30 Cb -0.17 -3.53 -0.16 0.00 0.50 0.00 0.00 46.19 42.83 3bw1 s LEU 30 CO 0.15 -0.92 -0.14 0.00 -1.32 0.00 0.00 176.35 174.11 3bw1 n GLN 31 N 7.06 0.68 -3.60 1.98 1.13 0.19 -0.06 117.38 124.76 3bw1 n GLN 31 Ca 0.17 0.10 -0.14 0.00 -1.94 0.00 0.00 57.00 55.19 3bw1 n GLN 31 Cb 0.44 -1.44 -0.05 0.00 0.11 0.00 0.00 30.24 29.29 3bw1 n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3bw1 s ALA 32 N -2.43 -1.24 0.18 -1.58 0.00 -1.15 -4.86 121.76 110.68 3bw1 s ALA 32 Ca -0.25 0.52 -0.20 0.00 0.00 0.00 0.00 51.96 52.02 3bw1 s ALA 32 Cb 0.07 0.38 0.05 0.00 0.00 0.00 0.00 23.12 23.62 3bw1 s ALA 32 CO 0.54 -0.50 0.57 -0.59 0.00 0.00 0.00 175.76 175.79 3bw1 s PHE 33 N -2.48 -0.33 0.00 0.00 -0.71 -1.26 -1.93 117.98 111.28 3bw1 s PHE 33 Ca -0.05 0.03 0.00 0.00 -1.04 0.00 0.00 56.93 55.87 3bw1 s PHE 33 Cb -0.01 0.50 0.00 0.00 -1.21 0.00 0.00 43.02 42.30 3bw1 s PHE 33 CO -0.02 -0.91 0.00 -0.40 -1.34 0.00 0.00 175.22 172.55 3bw1 n ASP 34 N -0.36 0.71 0.23 1.98 5.68 -1.01 -4.98 116.55 118.80 3bw1 n ASP 34 Ca -0.13 -0.98 0.13 0.00 -0.50 0.00 0.00 54.79 53.31 3bw1 n ASP 34 Cb 0.63 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.95 3bw1 n ASP 34 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3bw1 h SER 35 N 0.00 0.00 0.34 -1.12 4.64 -2.03 -0.44 113.55 114.93 3bw1 h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bw1 h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bw1 h SER 35 CO 0.00 0.05 -0.01 1.41 -0.87 0.00 0.00 176.83 177.41 3bw1 n HIS 36 N -3.12 0.00 -1.07 4.77 8.25 -1.26 -4.91 115.22 117.88 3bw1 n HIS 36 Ca 0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.46 3bw1 n HIS 36 Cb 0.47 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.40 3bw1 n HIS 36 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bw1 n ASN 38 N 1.03 2.79 -4.13 0.00 3.02 -1.26 -4.01 115.26 112.70 3bw1 n ASN 38 Ca -0.02 1.16 -0.15 0.00 -0.03 0.00 0.00 54.58 55.54 3bw1 n ASN 38 Cb 0.10 -1.51 -0.11 0.00 -0.61 0.00 0.00 39.78 37.65 3bw1 n ASN 38 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bw1 s ILE 39 N -1.15 0.85 -0.06 2.41 1.01 -0.34 -2.41 121.20 121.51 3bw1 s ILE 39 Ca 0.58 -1.32 0.03 0.00 0.00 0.00 0.00 60.65 59.93 3bw1 s ILE 39 Cb -0.53 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 40.96 3bw1 s ILE 39 CO 0.60 -0.38 -0.16 -0.69 0.00 0.00 0.00 174.94 174.31 3bw1 s VAL 40 N -1.67 1.38 0.10 2.92 1.01 -0.81 0.63 120.40 123.97 3bw1 s VAL 40 Ca -0.03 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.41 3bw1 s VAL 40 Cb -0.08 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3bw1 s VAL 40 CO 0.01 0.41 -0.26 -0.76 0.00 0.00 0.00 175.10 174.50 3bw1 s LEU 41 N 0.42 2.30 0.31 3.92 1.43 -0.47 -0.63 118.68 125.95 3bw1 s LEU 41 Ca -0.12 -0.67 0.10 0.00 -1.03 0.00 0.00 54.13 52.41 3bw1 s LEU 41 Cb -0.15 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 3bw1 s LEU 41 CO 0.04 0.21 -0.04 -0.94 0.23 0.00 0.00 176.35 175.85 3bw1 s SER 42 N -1.75 4.13 -1.32 2.29 1.04 -0.02 -1.36 113.70 116.70 3bw1 s SER 42 Ca 0.13 -0.91 -0.02 0.00 0.48 0.00 0.00 55.95 55.64 3bw1 s SER 42 Cb -0.10 -0.56 0.01 0.00 0.10 0.00 0.00 66.02 65.47 3bw1 s SER 42 CO 0.05 -0.11 0.75 0.47 0.98 0.00 0.00 173.24 175.38 3bw1 n ASP 43 N -0.86 -1.66 -4.89 7.02 9.92 -0.71 -0.27 116.55 125.10 3bw1 n ASP 43 Ca -0.05 -0.80 -0.29 0.00 -0.53 0.00 0.00 54.79 53.12 3bw1 n ASP 43 Cb 0.61 -4.12 -0.03 0.00 -0.64 0.00 0.00 41.12 36.94 3bw1 n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3bw1 s ALA 44 N -3.61 3.51 -0.26 2.24 0.00 -0.44 -4.41 121.76 118.78 3bw1 s ALA 44 Ca 0.08 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.64 3bw1 s ALA 44 Cb -0.04 -2.47 0.07 0.00 0.00 0.00 0.00 23.12 20.69 3bw1 s ALA 44 CO 0.81 0.15 -0.01 0.08 0.00 0.00 0.00 175.76 176.79 3bw1 s VAL 45 N -2.19 1.49 0.29 0.00 1.01 0.63 -1.74 120.40 119.89 3bw1 s VAL 45 Ca 0.47 -1.40 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 3bw1 s VAL 45 Cb -0.11 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 3bw1 s VAL 45 CO 0.30 -0.28 0.80 -0.70 0.00 0.00 0.00 175.10 175.21 3bw1 s GLU 46 N 1.37 4.26 -0.09 2.72 2.12 -0.04 -1.35 118.70 127.70 3bw1 s GLU 46 Ca -0.00 0.94 -0.12 0.00 0.36 0.00 0.00 54.97 56.15 3bw1 s GLU 46 Cb -0.19 -2.68 -0.05 0.00 0.26 0.00 0.00 34.13 31.48 3bw1 s GLU 46 CO -0.10 0.27 0.29 0.99 -0.54 0.00 0.00 175.26 176.17 3bw1 s THR 47 N -1.72 5.26 -0.20 -1.70 2.01 -0.95 -1.23 115.64 117.10 3bw1 s THR 47 Ca 0.49 0.56 0.00 0.00 0.31 0.00 0.00 61.69 63.06 3bw1 s THR 47 Cb -0.15 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.79 3bw1 s THR 47 CO 0.20 0.52 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.86 3bw1 s ILE 48 N -0.52 2.33 0.04 1.82 -1.09 -0.34 -4.79 121.20 118.65 3bw1 s ILE 48 Ca 0.19 -0.95 -0.10 0.00 -2.23 0.00 0.00 60.65 57.56 3bw1 s ILE 48 Cb -0.14 -2.05 -0.05 0.00 -1.58 0.00 0.00 42.46 38.64 3bw1 s ILE 48 CO 0.07 0.44 0.36 -0.31 -1.23 0.00 0.00 174.94 174.28 3bw1 s TYR 49 N 1.30 3.61 0.12 3.97 2.02 -1.26 -0.73 117.35 126.38 3bw1 s TYR 49 Ca 0.03 0.77 0.03 0.00 -0.37 0.00 0.00 57.07 57.53 3bw1 s TYR 49 Cb -0.14 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 3bw1 s TYR 49 CO -0.10 0.57 -0.09 -0.65 -1.57 0.00 0.00 175.55 173.71 3bw1 s GLN 50 N -1.70 0.93 -0.03 -0.62 -0.21 -0.93 -4.98 119.66 112.14 3bw1 s GLN 50 Ca 0.29 -1.36 0.00 0.00 0.02 0.00 0.00 55.36 54.32 3bw1 s GLN 50 Cb -0.14 -0.44 0.03 0.00 1.00 0.00 0.00 33.01 33.46 3bw1 s GLN 50 CO 0.16 0.04 0.02 -1.17 -2.12 0.00 0.00 175.29 172.22 3bw1 s LEU 51 N -3.00 1.07 -0.20 2.90 2.96 -1.26 -2.70 118.68 118.45 3bw1 s LEU 51 Ca 0.13 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 3bw1 s LEU 51 Cb 0.03 -0.15 0.10 0.00 0.50 0.00 0.00 46.19 46.67 3bw1 s LEU 51 CO -0.02 -0.12 0.31 0.21 -1.32 0.00 0.00 176.35 175.41 3bw1 s ASN 52 N 1.10 0.58 0.86 3.68 2.47 -1.19 -5.01 114.94 117.44 3bw1 s ASN 52 Ca -0.09 0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.42 3bw1 s ASN 52 Cb -0.13 0.81 0.00 0.00 -1.45 0.00 0.00 41.25 40.48 3bw1 s ASN 52 CO -0.02 -0.29 0.00 0.59 -3.72 0.00 0.00 177.10 173.66 3bw1 n ASN 53 N 5.35 0.00 0.14 -4.21 4.13 -1.26 -1.27 115.26 118.14 3bw1 n ASN 53 Ca -0.05 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.34 3bw1 n ASN 53 Cb 0.50 0.00 0.39 0.00 -1.54 0.00 0.00 39.78 39.13 3bw1 n ASN 53 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3bw1 h GLU 54 N 0.00 0.00 -5.52 3.52 3.07 -2.01 -3.44 114.58 110.21 3bw1 h GLU 54 Ca 0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.41 3bw1 h GLU 54 Cb 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 3bw1 h GLU 54 CO 0.00 0.00 1.46 0.39 -1.40 0.00 0.00 179.01 179.46 3bw1 n GLU 55 N -2.46 2.07 -1.47 2.33 4.71 -0.39 -4.85 120.64 120.57 3bw1 n GLU 55 Ca 0.04 -2.68 -0.34 0.00 -0.01 0.00 0.00 57.16 54.17 3bw1 n GLU 55 Cb 0.41 -3.63 -0.08 0.00 -1.01 0.00 0.00 31.44 27.13 3bw1 n GLU 55 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3bw1 n LEU 56 N 12.37 2.90 0.00 -4.62 0.00 -1.26 -3.15 117.00 123.25 3bw1 n LEU 56 Ca 0.46 -2.76 0.00 0.00 0.00 0.00 0.00 56.01 53.72 3bw1 n LEU 56 Cb 0.46 -1.35 0.00 0.00 0.00 0.00 0.00 43.42 42.53 3bw1 n LEU 56 CO 0.72 -1.60 0.00 -1.54 0.00 0.00 0.00 177.39 174.97 3bw1 n SER 57 N 12.02 -0.45 -3.60 1.96 3.41 -1.10 -4.82 113.62 121.03 3bw1 n SER 57 Ca 0.46 -0.66 -0.13 0.00 -0.26 0.00 0.00 58.87 58.28 3bw1 n SER 57 Cb 0.44 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 3bw1 n SER 57 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3bw1 s GLU 58 N -2.67 0.76 0.00 4.33 2.12 -1.26 -2.19 118.70 119.79 3bw1 s GLU 58 Ca 0.00 0.63 0.00 0.00 0.36 0.00 0.00 54.97 55.96 3bw1 s GLU 58 Cb 0.00 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.76 3bw1 s GLU 58 CO 0.00 -0.15 0.00 -1.13 -0.54 0.00 0.00 175.26 173.44 3bw1 n SER 59 N 1.94 0.00 -3.89 -1.70 3.41 0.09 -4.96 113.62 108.51 3bw1 n SER 59 Ca -0.14 -0.95 -0.26 0.00 -0.26 0.00 0.00 58.87 57.26 3bw1 n SER 59 Cb 0.56 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.34 3bw1 n SER 59 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3bw1 s GLU 60 N -1.85 1.40 -0.27 4.33 2.02 -1.26 -1.20 118.70 121.87 3bw1 s GLU 60 Ca 0.00 -0.21 -0.05 0.00 0.02 0.00 0.00 54.97 54.74 3bw1 s GLU 60 Cb 0.00 -1.49 0.01 0.00 0.10 0.00 0.00 34.13 32.76 3bw1 s GLU 60 CO 0.00 -0.26 0.01 0.50 0.02 0.00 0.00 175.26 175.54 3bw1 s ARG 61 N 1.69 3.04 -0.17 1.61 3.52 -0.37 -4.96 118.95 123.32 3bw1 s ARG 61 Ca 0.04 -0.86 -0.14 0.00 -0.13 0.00 0.00 55.73 54.64 3bw1 s ARG 61 Cb -0.13 -3.19 -0.05 0.00 -1.56 0.00 0.00 34.95 30.03 3bw1 s ARG 61 CO -0.07 -0.39 0.28 0.50 -0.81 0.00 0.00 175.30 174.81 3bw1 s ARG 62 N 1.44 4.25 0.02 5.12 3.52 -1.26 -0.86 118.95 131.18 3bw1 s ARG 62 Ca 0.02 0.07 -0.12 0.00 -0.13 0.00 0.00 55.73 55.57 3bw1 s ARG 62 Cb -0.17 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.80 3bw1 s ARG 62 CO -0.01 0.22 0.25 0.00 -0.81 0.00 0.00 175.30 174.96 3bw1 h GLU 64 N 3.58 1.13 -2.25 0.00 4.81 -1.95 -1.17 114.58 118.73 3bw1 h GLU 64 Ca -0.31 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 58.77 3bw1 h GLU 64 Cb 1.19 -0.25 -0.22 0.00 0.63 0.00 0.00 28.75 30.10 3bw1 h GLU 64 CO 0.45 0.76 0.02 1.41 -0.73 0.00 0.00 179.01 180.91 3bw1 s MET 65 N -5.94 0.76 -0.03 1.92 0.00 -1.26 -1.74 119.30 113.00 3bw1 s MET 65 Ca -0.12 0.74 0.01 0.00 0.00 0.00 0.00 55.69 56.32 3bw1 s MET 65 Cb 0.18 0.37 0.02 0.00 0.00 0.00 0.00 34.83 35.40 3bw1 s MET 65 CO 0.80 -0.12 -0.02 0.08 0.00 0.00 0.00 175.02 175.76 3bw1 s VAL 66 N 0.07 0.32 -0.24 10.11 1.01 -0.47 -4.99 120.40 126.21 3bw1 s VAL 66 Ca -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 3bw1 s VAL 66 Cb -0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 3bw1 s VAL 66 CO 0.02 0.17 0.04 -0.36 0.00 0.00 0.00 175.10 174.98 3bw1 s PHE 67 N 0.91 3.06 -0.24 5.22 0.08 -1.26 -1.37 117.98 124.38 3bw1 s PHE 67 Ca -0.10 -0.55 -0.06 0.00 0.12 0.00 0.00 56.93 56.33 3bw1 s PHE 67 Cb -0.13 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.09 3bw1 s PHE 67 CO -0.01 -0.41 0.02 0.42 -0.10 0.00 0.00 175.22 175.15 3bw1 s ILE 68 N 1.58 3.93 0.10 0.64 1.01 0.21 -4.97 121.20 123.70 3bw1 s ILE 68 Ca 0.06 -0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.10 3bw1 s ILE 68 Cb -0.15 -2.82 -0.07 0.00 0.01 0.00 0.00 42.46 39.43 3bw1 s ILE 68 CO 0.02 0.37 1.25 -0.60 0.00 0.00 0.00 174.94 175.98 3bw1 s ARG 69 N 1.56 4.42 0.30 2.79 3.52 -1.26 -1.20 118.95 129.08 3bw1 s ARG 69 Ca 0.06 1.87 0.04 0.00 -0.13 0.00 0.00 55.73 57.57 3bw1 s ARG 69 Cb -0.15 -3.30 0.66 0.00 -1.56 0.00 0.00 34.95 30.60 3bw1 s ARG 69 CO 0.01 -0.27 1.83 0.78 -0.81 0.00 0.00 175.30 176.84 3bw1 h GLY 70 N 6.45 1.59 -1.32 8.12 0.00 -1.79 -2.74 103.07 113.39 3bw1 h GLY 70 Ca -0.42 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.52 3bw1 h GLY 70 CO 0.81 0.09 0.00 2.09 0.00 0.00 0.00 176.54 179.53 3bw1 n ASP 71 N -4.64 1.77 -0.00 0.19 5.68 -1.26 -2.10 116.55 116.19 3bw1 n ASP 71 Ca 0.20 -2.16 0.07 0.00 -0.50 0.00 0.00 54.79 52.40 3bw1 n ASP 71 Cb 0.43 -0.41 -0.09 0.00 -1.14 0.00 0.00 41.12 39.91 3bw1 n ASP 71 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3bw1 n THR 72 N 0.11 0.00 -2.33 2.12 -2.24 -1.03 -4.96 114.28 105.95 3bw1 n THR 72 Ca 0.06 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 3bw1 n THR 72 Cb 0.38 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 3bw1 n THR 72 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3bw1 s VAL 73 N -2.55 3.79 -0.16 2.28 1.01 -0.89 -0.91 120.40 122.97 3bw1 s VAL 73 Ca 0.03 1.28 0.04 0.00 0.00 0.00 0.00 61.98 63.33 3bw1 s VAL 73 Cb 0.11 -3.82 -0.13 0.00 0.00 0.00 0.00 36.38 32.55 3bw1 s VAL 73 CO 0.62 0.09 -0.10 0.35 0.00 0.00 0.00 175.10 176.06 3bw1 n THR 74 N 4.00 0.97 -4.09 3.92 -2.24 0.01 -4.86 114.28 111.99 3bw1 n THR 74 Ca 0.10 -0.43 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 3bw1 n THR 74 Cb 0.45 -0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 67.57 3bw1 n THR 74 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3bw1 s LEU 75 N -5.73 2.15 -0.13 3.22 1.43 -1.02 -5.00 118.68 113.59 3bw1 s LEU 75 Ca -0.19 -0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3bw1 s LEU 75 Cb 0.05 -0.19 0.03 0.00 0.03 0.00 0.00 46.19 46.11 3bw1 s LEU 75 CO 0.44 -0.09 -0.07 -0.63 0.23 0.00 0.00 176.35 176.23 3bw1 s ILE 76 N -0.83 1.06 0.18 -0.59 1.01 -1.26 -1.94 121.20 118.83 3bw1 s ILE 76 Ca -0.05 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.29 3bw1 s ILE 76 Cb -0.06 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 3bw1 s ILE 76 CO 0.00 0.30 -0.18 -0.94 0.00 0.00 0.00 174.94 174.12 3bw1 s SER 77 N 1.68 2.76 0.63 3.58 1.04 0.64 -4.96 113.70 119.07 3bw1 s SER 77 Ca 0.04 -0.90 -0.11 0.00 0.48 0.00 0.00 55.95 55.45 3bw1 s SER 77 Cb -0.13 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.79 3bw1 s SER 77 CO -0.08 -0.05 1.03 0.42 0.98 0.00 0.00 173.24 175.55 3bw1 s THR 78 N -2.23 4.57 0.69 2.02 -4.23 -1.26 -0.74 115.64 114.46 3bw1 s THR 78 Ca 0.18 0.85 -0.17 0.00 -1.18 0.00 0.00 61.69 61.38 3bw1 s THR 78 Cb -0.05 -3.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 3bw1 s THR 78 CO 0.07 -1.07 0.93 -2.65 -0.54 0.00 0.00 174.62 171.37 3bw1 n PRO 79 N -2.77 0.61 0.06 3.99 -0.02 -1.26 -4.74 135.00 130.87 3bw1 n PRO 79 Ca 0.06 0.26 -0.03 0.00 -2.02 0.00 0.00 63.50 61.77 3bw1 n PRO 79 Cb 0.54 -2.18 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 3bw1 n PRO 79 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bw1 h SER 80 N -0.05 -0.17 0.00 2.55 4.64 -1.98 -3.51 113.55 115.02 3bw1 h SER 80 Ca -0.48 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3bw1 h SER 80 Cb 1.34 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 3bw1 h SER 80 CO 0.48 -0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.33 3bw1 n ALA 86 N -2.17 1.79 -3.62 5.18 0.00 -1.26 -5.31 120.51 115.12 3bw1 n ALA 86 Ca -0.02 -0.34 -0.26 0.00 0.00 0.00 0.00 53.44 52.82 3bw1 n ALA 86 Cb 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.36 3bw1 n ALA 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3bw1 s VAL 87 N -0.04 1.14 -0.01 0.00 0.11 -1.26 -5.11 120.40 115.24 3bw1 s VAL 87 Ca 0.00 -0.44 -0.30 0.00 -2.93 0.00 0.00 61.98 58.31 3bw1 s VAL 87 Cb 0.00 -1.07 -0.07 0.00 -1.53 0.00 0.00 36.38 33.71 3bw1 s VAL 87 CO 0.00 0.37 1.69 -0.70 -3.33 0.00 0.00 175.10 173.13 3bw1 s GLU 88 N 1.01 4.18 0.00 1.54 2.12 -1.26 -5.48 118.70 120.81 3bw1 s GLU 88 Ca -0.08 2.28 0.19 0.00 0.36 0.00 0.00 54.97 57.72 3bw1 s GLU 88 Cb -0.15 -3.91 0.15 0.00 0.26 0.00 0.00 34.13 30.48 3bw1 s GLU 88 CO -0.01 -0.83 1.10 1.51 -0.54 0.00 0.00 175.26 176.49