#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fb9 n MET 1 N 0.00 1.52 -1.09 1.61 3.85 -1.26 -4.94 117.12 116.81 3fb9 n MET 1 Ca 0.00 0.55 -0.30 0.00 -1.00 0.00 0.00 57.70 56.96 3fb9 n MET 1 Cb 0.00 -2.30 0.22 0.00 -1.05 0.00 0.00 33.22 30.09 3fb9 n MET 1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3fb9 s SER 2 N -0.82 1.42 0.23 3.17 1.04 -1.26 -4.85 113.70 112.61 3fb9 s SER 2 Ca 0.67 0.83 0.17 0.00 0.48 0.00 0.00 55.95 58.10 3fb9 s SER 2 Cb -0.48 -1.22 0.87 0.00 0.10 0.00 0.00 66.02 65.29 3fb9 s SER 2 CO 0.53 -3.84 1.52 -0.90 0.98 0.00 0.00 173.24 171.54 3fb9 n ASP 3 N -4.60 0.43 0.27 7.02 5.75 -1.26 -1.12 116.55 123.05 3fb9 n ASP 3 Ca 0.10 0.68 0.16 0.00 -0.01 0.00 0.00 54.79 55.72 3fb9 n ASP 3 Cb 0.59 -0.74 0.91 0.00 -1.03 0.00 0.00 41.12 40.84 3fb9 n ASP 3 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fb9 h ALA 4 N 2.08 1.57 -0.28 2.12 0.00 -1.99 -2.88 119.26 119.89 3fb9 h ALA 4 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fb9 h ALA 4 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fb9 h ALA 4 CO 0.00 -0.11 0.00 1.19 0.00 0.00 0.00 179.25 180.33 3fb9 n PHE 5 N -3.75 0.39 -1.50 0.00 3.72 -0.27 -4.25 117.46 111.79 3fb9 n PHE 5 Ca -0.01 -0.52 -0.33 0.00 -0.05 0.00 0.00 57.45 56.54 3fb9 n PHE 5 Cb 0.17 -0.04 0.08 0.00 -0.94 0.00 0.00 39.48 38.74 3fb9 n PHE 5 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3fb9 s THR 6 N -1.08 2.99 0.22 4.37 -4.23 -1.09 -4.83 115.64 111.99 3fb9 s THR 6 Ca 0.20 0.42 -0.09 0.00 -1.18 0.00 0.00 61.69 61.04 3fb9 s THR 6 Cb 0.11 -2.90 0.18 0.00 1.34 0.00 0.00 72.50 71.23 3fb9 s THR 6 CO 0.12 -0.32 1.89 0.44 -0.54 0.00 0.00 174.62 176.21 3fb9 h ASP 7 N -0.43 0.93 -0.33 3.99 3.32 -1.94 -0.55 116.42 121.40 3fb9 h ASP 7 Ca -0.46 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 3fb9 h ASP 7 Cb 1.25 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 3fb9 h ASP 7 CO 0.52 0.67 0.16 0.58 -1.72 0.00 0.00 179.24 179.44 3fb9 h VAL 8 N 1.10 1.16 0.07 -1.35 2.07 -1.94 0.47 116.25 117.83 3fb9 h VAL 8 Ca 0.31 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.39 3fb9 h VAL 8 Cb -0.11 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3fb9 h VAL 8 CO -0.07 0.16 -0.11 0.00 0.02 0.00 0.00 177.57 177.57 3fb9 h ALA 9 N 1.02 -0.18 -0.46 1.67 0.00 -1.77 -1.97 119.26 117.56 3fb9 h ALA 9 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3fb9 h ALA 9 Cb 0.11 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3fb9 h ALA 9 CO -0.01 -0.62 0.15 0.87 0.00 0.00 0.00 179.25 179.63 3fb9 h LYS 10 N -0.22 0.71 -0.51 0.00 1.57 -0.94 -1.95 116.57 115.23 3fb9 h LYS 10 Ca 0.02 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3fb9 h LYS 10 Cb 0.23 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3fb9 h LYS 10 CO -0.06 0.68 0.32 1.98 -0.57 0.00 0.00 179.45 181.80 3fb9 h MET 11 N 0.61 0.63 -0.55 3.15 4.05 -0.84 0.35 114.93 122.33 3fb9 h MET 11 Ca 0.15 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 3fb9 h MET 11 Cb 0.25 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 3fb9 h MET 11 CO -0.01 0.41 0.35 -0.22 0.23 0.00 0.00 176.91 177.68 3fb9 h LYS 12 N 0.64 0.74 -0.62 0.39 3.64 -1.09 -1.40 116.57 118.87 3fb9 h LYS 12 Ca 0.20 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3fb9 h LYS 12 Cb -0.02 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 3fb9 h LYS 12 CO -0.07 0.51 0.17 -0.22 -2.27 0.00 0.00 179.45 177.56 3fb9 h LYS 13 N 0.75 0.99 0.00 1.90 1.63 -1.06 -1.46 116.57 119.32 3fb9 h LYS 13 Ca 0.20 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3fb9 h LYS 13 Cb -0.06 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.44 3fb9 h LYS 13 CO -0.04 0.89 -0.00 0.82 -3.45 0.00 0.00 179.45 177.67 3fb9 h ILE 14 N 0.91 1.03 -0.99 2.00 2.04 -0.61 0.31 117.51 122.20 3fb9 h ILE 14 Ca 0.20 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.98 3fb9 h ILE 14 Cb 0.34 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 3fb9 h ILE 14 CO -0.00 0.02 0.65 0.11 0.00 0.00 0.00 178.15 178.93 3fb9 h LYS 15 N -0.04 1.32 -0.36 2.37 1.57 -1.10 -1.04 116.57 119.28 3fb9 h LYS 15 Ca -0.00 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3fb9 h LYS 15 Cb 0.04 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 3fb9 h LYS 15 CO 0.00 0.88 0.10 0.93 -0.57 0.00 0.00 179.45 180.79 3fb9 h GLU 16 N 1.35 0.57 -0.44 3.15 5.08 -0.94 -1.37 114.58 121.98 3fb9 h GLU 16 Ca 0.36 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3fb9 h GLU 16 Cb -0.14 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3fb9 h GLU 16 CO -0.08 0.60 0.08 0.93 -1.00 0.00 0.00 179.01 179.55 3fb9 h GLU 17 N 0.44 0.72 -0.30 2.33 5.08 -0.55 -0.67 114.58 121.63 3fb9 h GLU 17 Ca 0.12 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3fb9 h GLU 17 Cb 0.28 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3fb9 h GLU 17 CO -0.00 0.74 0.12 0.82 -1.00 0.00 0.00 179.01 179.69 3fb9 h ILE 18 N 0.58 1.17 -0.77 3.13 1.08 -1.16 -2.16 117.51 119.38 3fb9 h ILE 18 Ca 0.13 -0.53 -0.00 0.00 -0.39 0.00 0.00 64.86 64.08 3fb9 h ILE 18 Cb 0.36 0.97 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 3fb9 h ILE 18 CO 0.01 0.18 0.48 0.50 -0.69 0.00 0.00 178.15 178.63 3fb9 h LYS 19 N 0.34 1.04 0.00 2.37 3.64 -1.09 -1.51 116.57 121.35 3fb9 h LYS 19 Ca 0.10 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3fb9 h LYS 19 Cb 0.17 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3fb9 h LYS 19 CO -0.01 0.72 -0.16 0.00 -2.27 0.00 0.00 179.45 177.73 3fb9 h ALA 20 N 1.26 1.10 -0.51 5.00 0.00 -1.02 -3.04 119.26 122.06 3fb9 h ALA 20 Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fb9 h ALA 20 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3fb9 h ALA 20 CO -0.06 0.20 0.00 1.58 0.00 0.00 0.00 179.25 180.97 3fb9 n HIS 21 N -3.43 0.67 -1.67 0.00 -0.00 -0.59 -4.99 115.22 105.20 3fb9 n HIS 21 Ca -0.01 -0.38 -0.45 0.00 0.46 0.00 0.00 57.72 57.35 3fb9 n HIS 21 Cb 0.34 -0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.18 3fb9 n HIS 21 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 3fb9 n GLU 22 N 1.36 2.00 0.00 1.57 2.13 -1.08 -1.43 120.64 125.19 3fb9 n GLU 22 Ca 0.20 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.73 3fb9 n GLU 22 Cb 0.57 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.93 3fb9 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fb9 n GLY 23 N 2.05 1.65 3.91 8.31 0.00 0.11 -5.02 105.19 116.20 3fb9 n GLY 23 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3fb9 n GLY 23 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fb9 s GLN 24 N -0.50 2.23 -0.02 1.61 -0.21 -0.51 -4.74 119.66 117.52 3fb9 s GLN 24 Ca 0.00 -2.10 -0.16 0.00 0.02 0.00 0.00 55.36 53.13 3fb9 s GLN 24 Cb 0.00 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 31.91 3fb9 s GLN 24 CO 0.00 -0.68 0.43 0.08 -2.12 0.00 0.00 175.29 173.00 3fb9 s VAL 25 N -2.82 5.04 0.18 1.09 1.01 -1.26 -0.98 120.40 122.66 3fb9 s VAL 25 Ca 0.30 0.87 0.11 0.00 0.00 0.00 0.00 61.98 63.27 3fb9 s VAL 25 Cb -0.02 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3fb9 s VAL 25 CO 0.19 0.53 -0.24 0.68 0.00 0.00 0.00 175.10 176.26 3fb9 s VAL 26 N -0.76 2.29 -0.13 2.92 -7.23 0.21 -1.45 120.40 116.24 3fb9 s VAL 26 Ca 0.24 -1.96 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 3fb9 s VAL 26 Cb -0.17 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 3fb9 s VAL 26 CO 0.13 -0.08 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.06 3fb9 s GLU 27 N -2.54 3.40 0.05 4.82 2.12 -0.32 -1.24 118.70 124.99 3fb9 s GLU 27 Ca 0.19 -0.58 0.04 0.00 0.36 0.00 0.00 54.97 54.98 3fb9 s GLU 27 Cb -0.08 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.52 3fb9 s GLU 27 CO 0.09 0.32 -0.11 -1.64 -0.54 0.00 0.00 175.26 173.38 3fb9 s MET 28 N 0.12 0.69 0.09 4.30 -1.94 -0.02 -0.75 119.30 121.80 3fb9 s MET 28 Ca -0.03 -0.79 -0.16 0.00 -1.71 0.00 0.00 55.69 53.00 3fb9 s MET 28 Cb -0.14 -0.59 0.03 0.00 2.01 0.00 0.00 34.83 36.14 3fb9 s MET 28 CO 0.03 0.13 0.39 -0.08 -0.01 0.00 0.00 175.02 175.49 3fb9 s THR 29 N -1.17 0.07 0.09 2.05 -1.32 -0.83 -1.10 115.64 113.42 3fb9 s THR 29 Ca -0.04 -0.57 -0.30 0.00 -1.21 0.00 0.00 61.69 59.56 3fb9 s THR 29 Cb -0.09 -1.10 -0.05 0.00 -1.51 0.00 0.00 72.50 69.75 3fb9 s THR 29 CO 0.01 -0.32 1.06 -0.76 -2.21 0.00 0.00 174.62 172.41 3fb9 s LEU 30 N -2.52 4.43 0.17 9.08 1.43 -1.26 -0.60 118.68 129.41 3fb9 s LEU 30 Ca 0.00 1.89 -0.31 0.00 -1.03 0.00 0.00 54.13 54.68 3fb9 s LEU 30 Cb 0.01 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.56 3fb9 s LEU 30 CO -0.09 -0.26 1.40 -0.70 0.23 0.00 0.00 176.35 176.93 3fb9 s GLU 31 N 0.45 4.32 0.00 1.70 2.12 -1.09 -4.79 118.70 121.41 3fb9 s GLU 31 Ca 0.52 2.15 0.00 0.00 0.36 0.00 0.00 54.97 58.00 3fb9 s GLU 31 Cb -0.26 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3fb9 s GLU 31 CO 0.30 -0.40 0.00 0.27 -0.54 0.00 0.00 175.26 174.89 3fb9 n ASN 32 N 3.27 0.00 -4.07 -1.70 0.23 -1.26 -5.01 115.26 106.72 3fb9 n ASN 32 Ca 0.09 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.97 3fb9 n ASN 32 Cb 0.42 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.13 3fb9 n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fb9 n GLY 33 N 0.00 2.56 0.30 4.83 0.00 -1.26 -5.05 105.19 106.57 3fb9 n GLY 33 Ca 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 46.02 43.74 3fb9 n GLY 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3fb9 h ARG 34 N 0.00 0.83 -5.83 1.61 2.43 -2.03 -3.37 114.38 108.02 3fb9 h ARG 34 Ca -0.23 -0.18 -0.62 0.00 -0.81 0.00 0.00 59.98 58.14 3fb9 h ARG 34 Cb 0.91 -0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 30.22 3fb9 h ARG 34 CO 0.36 0.76 0.51 0.21 -1.51 0.00 0.00 179.97 180.30 3fb9 s LYS 35 N -5.17 3.35 0.17 0.20 2.20 -1.26 -5.01 119.74 114.22 3fb9 s LYS 35 Ca -0.10 -0.23 -0.32 0.00 -0.36 0.00 0.00 55.97 54.97 3fb9 s LYS 35 Cb 0.15 -4.03 -0.11 0.00 -1.51 0.00 0.00 37.83 32.33 3fb9 s LYS 35 CO 0.80 -1.39 1.79 1.03 -0.36 0.00 0.00 175.35 177.22 3fb9 s ARG 36 N 3.75 4.12 0.04 4.03 1.81 -1.26 -5.00 118.95 126.44 3fb9 s ARG 36 Ca 0.30 2.62 0.08 0.00 -1.72 0.00 0.00 55.73 57.02 3fb9 s ARG 36 Cb -0.13 -3.31 -0.03 0.00 -0.45 0.00 0.00 34.95 31.03 3fb9 s ARG 36 CO 0.20 -0.80 -0.23 -0.65 -0.68 0.00 0.00 175.30 173.13 3fb9 s GLN 37 N 1.91 1.89 -1.42 3.54 -1.52 -1.26 -4.77 119.66 118.04 3fb9 s GLN 37 Ca 0.78 -1.07 -0.10 0.00 -1.95 0.00 0.00 55.36 53.02 3fb9 s GLN 37 Cb -0.48 -2.06 0.04 0.00 -0.22 0.00 0.00 33.01 30.28 3fb9 s GLN 37 CO 0.34 0.52 1.12 1.63 -0.25 0.00 0.00 175.29 178.65 3fb9 n LYS 38 N 1.68 -7.17 -1.68 2.91 4.76 -1.26 -4.57 118.16 112.83 3fb9 n LYS 38 Ca -0.17 0.75 -0.39 0.00 -2.87 0.00 0.00 58.31 55.64 3fb9 n LYS 38 Cb 0.52 -5.76 0.04 0.00 -1.84 0.00 0.00 35.03 27.99 3fb9 n LYS 38 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3fb9 n ASN 39 N -2.96 1.79 -3.98 4.39 4.13 -1.26 -4.79 115.26 112.58 3fb9 n ASN 39 Ca 0.02 0.93 -0.14 0.00 1.68 0.00 0.00 54.58 57.06 3fb9 n ASN 39 Cb 0.55 -1.47 -0.13 0.00 -1.54 0.00 0.00 39.78 37.18 3fb9 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fb9 s ARG 40 N -2.68 0.40 -0.13 3.52 1.70 -0.26 -4.99 118.95 116.51 3fb9 s ARG 40 Ca 0.71 -0.33 -0.09 0.00 -0.47 0.00 0.00 55.73 55.55 3fb9 s ARG 40 Cb -0.44 -0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 33.58 3fb9 s ARG 40 CO 0.50 0.08 0.17 -0.51 -1.08 0.00 0.00 175.30 174.46 3fb9 s LEU 41 N -0.54 4.34 0.20 -1.89 1.43 -1.26 -0.84 118.68 120.12 3fb9 s LEU 41 Ca -0.02 0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 53.46 3fb9 s LEU 41 Cb -0.04 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 3fb9 s LEU 41 CO -0.00 0.32 0.30 -0.83 0.23 0.00 0.00 176.35 176.37 3fb9 s GLY 42 N -0.57 0.82 -0.19 -3.19 0.00 -0.37 -3.85 107.32 99.97 3fb9 s GLY 42 Ca 0.14 -1.16 -0.09 0.00 0.00 0.00 0.00 44.72 43.61 3fb9 s GLY 42 CO 0.03 -0.96 0.12 1.25 0.00 0.00 0.00 173.10 173.55 3fb9 s LYS 43 N -4.05 4.10 -0.84 2.90 2.20 0.03 -0.62 119.74 123.46 3fb9 s LYS 43 Ca 0.26 -0.23 -0.25 0.00 -0.36 0.00 0.00 55.97 55.39 3fb9 s LYS 43 Cb 0.03 -3.37 0.03 0.00 -1.51 0.00 0.00 37.83 33.01 3fb9 s LYS 43 CO 0.07 0.34 1.41 -1.17 -0.36 0.00 0.00 175.35 175.64 3fb9 s LEU 44 N 0.25 3.29 -0.07 5.43 2.96 -0.15 -1.05 118.68 129.34 3fb9 s LEU 44 Ca 0.08 -0.76 0.15 0.00 -0.22 0.00 0.00 54.13 53.38 3fb9 s LEU 44 Cb -0.11 -2.56 -0.22 0.00 0.50 0.00 0.00 46.19 43.79 3fb9 s LEU 44 CO -0.01 -1.80 0.51 2.30 -1.32 0.00 0.00 176.35 176.03 3fb9 n ILE 45 N 6.69 1.38 -3.99 6.68 -5.35 -0.20 0.05 119.36 124.62 3fb9 n ILE 45 Ca 0.17 -0.78 -0.11 0.00 -0.27 0.00 0.00 62.75 61.76 3fb9 n ILE 45 Cb 0.50 -0.76 -0.12 0.00 -1.74 0.00 0.00 39.64 37.52 3fb9 n ILE 45 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3fb9 s GLU 46 N -2.68 0.29 -0.12 6.28 0.41 -1.12 -4.79 118.70 116.96 3fb9 s GLU 46 Ca -0.06 -0.45 0.00 0.00 -0.41 0.00 0.00 54.97 54.05 3fb9 s GLU 46 Cb 0.08 -0.04 0.02 0.00 -1.78 0.00 0.00 34.13 32.41 3fb9 s GLU 46 CO 0.83 -0.00 -0.12 0.08 -0.49 0.00 0.00 175.26 175.55 3fb9 s VAL 47 N -0.97 1.35 0.44 2.63 1.01 -1.26 -1.37 120.40 122.22 3fb9 s VAL 47 Ca -0.09 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3fb9 s VAL 47 Cb -0.07 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 3fb9 s VAL 47 CO -0.00 0.42 0.05 -0.31 0.00 0.00 0.00 175.10 175.25 3fb9 s TYR 48 N 1.44 2.36 0.38 5.22 2.02 0.39 -5.01 117.35 124.14 3fb9 s TYR 48 Ca 0.02 -0.73 0.07 0.00 -0.37 0.00 0.00 57.07 56.06 3fb9 s TYR 48 Cb -0.13 -1.77 0.74 0.00 -0.40 0.00 0.00 41.96 40.40 3fb9 s TYR 48 CO -0.08 0.33 1.95 -1.35 -1.57 0.00 0.00 175.55 174.83 3fb9 h PRO 49 N 1.59 0.44 0.00 -1.71 0.11 -2.03 -3.20 132.00 127.20 3fb9 h PRO 49 Ca -0.44 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3fb9 h PRO 49 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fb9 h PRO 49 CO 0.77 0.44 -1.05 -1.13 -0.21 0.00 0.00 178.00 176.82 3fb9 n SER 50 N -4.34 1.07 -3.56 -2.05 3.41 -1.26 -5.00 113.62 101.89 3fb9 n SER 50 Ca 0.01 -0.50 -0.06 0.00 -0.26 0.00 0.00 58.87 58.06 3fb9 n SER 50 Cb 0.19 1.26 -0.00 0.00 -0.26 0.00 0.00 64.21 65.40 3fb9 n SER 50 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 3fb9 s LEU 51 N -3.18 -0.14 0.10 1.04 0.05 -1.21 -3.79 118.68 111.54 3fb9 s LEU 51 Ca 0.01 -0.67 0.01 0.00 0.05 0.00 0.00 54.13 53.53 3fb9 s LEU 51 Cb 0.10 2.48 -0.04 0.00 -2.05 0.00 0.00 46.19 46.68 3fb9 s LEU 51 CO 0.58 -1.23 -0.03 0.72 -0.55 0.00 0.00 176.35 175.85 3fb9 s PHE 52 N -3.12 0.82 -0.08 3.48 -0.12 0.00 -0.46 117.98 118.50 3fb9 s PHE 52 Ca 0.14 -1.01 0.03 0.00 -0.05 0.00 0.00 56.93 56.03 3fb9 s PHE 52 Cb -0.04 -0.50 0.01 0.00 -0.63 0.00 0.00 43.02 41.86 3fb9 s PHE 52 CO 0.06 -0.27 -0.16 0.42 -0.05 0.00 0.00 175.22 175.22 3fb9 s ILE 53 N -3.77 1.43 -0.05 -4.49 1.01 -0.47 -1.00 121.20 113.86 3fb9 s ILE 53 Ca 0.13 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.20 3fb9 s ILE 53 Cb 0.06 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 3fb9 s ILE 53 CO -0.04 0.42 -0.25 -0.69 0.00 0.00 0.00 174.94 174.38 3fb9 s VAL 54 N 0.56 2.08 -0.25 2.92 1.01 -0.38 -1.04 120.40 125.31 3fb9 s VAL 54 Ca -0.16 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.65 3fb9 s VAL 54 Cb -0.17 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 3fb9 s VAL 54 CO 0.05 0.57 0.18 -0.70 0.00 0.00 0.00 175.10 175.20 3fb9 s GLU 55 N -0.23 4.04 0.05 2.72 2.12 -0.22 -1.12 118.70 126.07 3fb9 s GLU 55 Ca -0.02 -0.26 0.04 0.00 0.36 0.00 0.00 54.97 55.09 3fb9 s GLU 55 Cb -0.13 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 3fb9 s GLU 55 CO 0.03 -0.01 -0.01 -0.06 -0.54 0.00 0.00 175.26 174.67 3fb9 s PHE 56 N 1.28 3.00 0.00 5.30 0.08 0.63 -0.79 117.98 127.48 3fb9 s PHE 56 Ca 0.08 0.00 0.00 0.00 0.12 0.00 0.00 56.93 57.13 3fb9 s PHE 56 Cb -0.14 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 3fb9 s PHE 56 CO 0.06 0.46 0.00 0.41 -0.10 0.00 0.00 175.22 176.05 3fb9 n GLY 57 N 0.94 0.42 0.17 4.36 0.00 -1.25 -1.47 105.19 108.36 3fb9 n GLY 57 Ca -0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.95 3fb9 n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fb9 n ASP 58 N 0.00 2.42 -4.70 1.61 2.03 -1.26 -0.89 116.55 115.76 3fb9 n ASP 58 Ca 0.00 -2.57 -0.39 0.00 0.52 0.00 0.00 54.79 52.34 3fb9 n ASP 58 Cb 0.00 -0.26 -0.05 0.00 -0.72 0.00 0.00 41.12 40.09 3fb9 n ASP 58 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3fb9 s VAL 59 N -1.99 5.08 0.05 5.18 1.01 -1.26 -4.93 120.40 123.53 3fb9 s VAL 59 Ca 0.20 1.25 -0.36 0.00 0.00 0.00 0.00 61.98 63.08 3fb9 s VAL 59 Cb 0.17 -3.96 -0.15 0.00 0.00 0.00 0.00 36.38 32.44 3fb9 s VAL 59 CO 0.04 0.24 1.55 -0.62 0.00 0.00 0.00 175.10 176.30 3fb9 n GLU 60 N 4.07 1.66 0.00 2.72 1.02 -1.26 -0.72 120.64 128.13 3fb9 n GLU 60 Ca -0.03 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 3fb9 n GLU 60 Cb 0.51 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 3fb9 n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fb9 n GLY 61 N 3.29 2.58 2.78 0.62 0.00 -1.26 -4.81 105.19 108.39 3fb9 n GLY 61 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 3fb9 n GLY 61 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fb9 n ASP 62 N 0.00 1.73 -4.77 1.61 2.03 0.11 -5.08 116.55 112.18 3fb9 n ASP 62 Ca 0.00 -2.19 -0.40 0.00 0.52 0.00 0.00 54.79 52.72 3fb9 n ASP 62 Cb 0.00 -0.48 -0.03 0.00 -0.72 0.00 0.00 41.12 39.89 3fb9 n ASP 62 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3fb9 s LYS 63 N -3.72 4.39 0.14 -0.67 -0.14 -0.98 -4.42 119.74 114.35 3fb9 s LYS 63 Ca 0.28 1.92 0.05 0.00 -1.36 0.00 0.00 55.97 56.87 3fb9 s LYS 63 Cb 0.34 -3.00 -0.04 0.00 -1.68 0.00 0.00 37.83 33.45 3fb9 s LYS 63 CO -0.03 -0.05 -0.13 -0.65 -0.76 0.00 0.00 175.35 173.74 3fb9 s GLN 64 N -1.80 1.06 0.15 1.68 -1.52 -0.06 -5.00 119.66 114.16 3fb9 s GLN 64 Ca 0.49 -1.34 -0.17 0.00 -1.95 0.00 0.00 55.36 52.40 3fb9 s GLN 64 Cb -0.33 -0.81 0.03 0.00 -0.22 0.00 0.00 33.01 31.67 3fb9 s GLN 64 CO 0.43 0.14 1.78 0.28 -0.25 0.00 0.00 175.29 177.67 3fb9 h VAL 65 N 3.17 0.99 -3.70 1.09 2.07 -1.96 -3.39 116.25 114.53 3fb9 h VAL 65 Ca -0.38 -0.13 -0.62 0.00 0.82 0.00 0.00 66.70 66.38 3fb9 h VAL 65 Cb 1.20 0.59 -0.14 0.00 -1.52 0.00 0.00 31.29 31.41 3fb9 h VAL 65 CO 0.56 0.07 -0.29 0.21 0.02 0.00 0.00 177.57 178.14 3fb9 s ASN 66 N -5.43 6.24 -0.23 0.57 2.47 -1.26 -5.07 114.94 112.23 3fb9 s ASN 66 Ca -0.13 0.27 -0.10 0.00 0.42 0.00 0.00 52.86 53.32 3fb9 s ASN 66 Cb 0.11 -2.19 -0.05 0.00 -1.45 0.00 0.00 41.25 37.67 3fb9 s ASN 66 CO 0.71 -0.13 0.15 -0.69 -3.72 0.00 0.00 177.10 173.42 3fb9 s VAL 67 N 1.84 5.31 0.05 -5.21 1.01 -1.26 -4.55 120.40 117.59 3fb9 s VAL 67 Ca 0.14 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 3fb9 s VAL 67 Cb -0.15 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3fb9 s VAL 67 CO 0.09 0.36 0.13 -0.72 0.00 0.00 0.00 175.10 174.97 3fb9 s TYR 68 N 0.94 0.17 0.16 5.22 -0.85 -0.54 -4.99 117.35 117.46 3fb9 s TYR 68 Ca 0.07 -0.49 0.05 0.00 -0.52 0.00 0.00 57.07 56.17 3fb9 s TYR 68 Cb -0.13 -0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.06 3fb9 s TYR 68 CO 0.03 -0.42 0.16 0.14 -1.52 0.00 0.00 175.55 173.95 3fb9 s VAL 69 N -2.92 4.62 -0.01 -3.49 -7.23 -1.26 -0.27 120.40 109.83 3fb9 s VAL 69 Ca -0.02 -1.02 -0.06 0.00 -1.81 0.00 0.00 61.98 59.07 3fb9 s VAL 69 Cb 0.01 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.59 3fb9 s VAL 69 CO -0.06 -0.11 0.12 -0.70 -0.31 0.00 0.00 175.10 174.04 3fb9 s GLU 70 N -3.13 0.36 0.12 4.82 2.12 -0.28 -4.98 118.70 117.73 3fb9 s GLU 70 Ca 0.32 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.47 3fb9 s GLU 70 Cb -0.10 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.40 3fb9 s GLU 70 CO 0.24 -0.08 0.07 -1.54 -0.54 0.00 0.00 175.26 173.42 3fb9 s SER 71 N -0.89 5.33 0.02 -1.70 1.04 -1.26 -1.25 113.70 114.98 3fb9 s SER 71 Ca -0.10 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.22 3fb9 s SER 71 Cb -0.06 -1.35 -0.01 0.00 0.10 0.00 0.00 66.02 64.70 3fb9 s SER 71 CO 0.01 0.13 -0.08 -0.36 0.98 0.00 0.00 173.24 173.91 3fb9 s PHE 72 N -1.54 0.73 0.49 5.02 0.08 -0.17 -4.99 117.98 117.60 3fb9 s PHE 72 Ca 0.29 -0.28 -0.06 0.00 0.12 0.00 0.00 56.93 57.01 3fb9 s PHE 72 Cb -0.11 -0.45 -0.04 0.00 -0.57 0.00 0.00 43.02 41.85 3fb9 s PHE 72 CO 0.21 -0.02 0.80 0.95 -0.10 0.00 0.00 175.22 177.06 3fb9 s THR 73 N -0.67 4.88 0.37 0.64 -4.23 -1.26 -0.82 115.64 114.55 3fb9 s THR 73 Ca -0.02 0.24 0.10 0.00 -1.18 0.00 0.00 61.69 60.83 3fb9 s THR 73 Cb -0.06 -3.86 0.12 0.00 1.34 0.00 0.00 72.50 70.04 3fb9 s THR 73 CO 0.00 -0.86 1.86 1.88 -0.54 0.00 0.00 174.62 176.96 3fb9 h TYR 74 N 0.18 0.15 -0.58 3.99 0.05 -1.94 -2.19 116.97 116.63 3fb9 h TYR 74 Ca -0.47 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.28 3fb9 h TYR 74 Cb 1.20 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.88 3fb9 h TYR 74 CO 0.59 0.40 0.32 0.77 -1.05 0.00 0.00 178.16 179.18 3fb9 h SER 75 N 0.13 0.71 -0.76 3.88 0.02 -1.94 0.29 113.55 115.88 3fb9 h SER 75 Ca 0.02 -0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.02 3fb9 h SER 75 Cb 0.54 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 3fb9 h SER 75 CO 0.04 0.57 0.50 0.44 -1.14 0.00 0.00 176.83 177.24 3fb9 h ASP 76 N 0.81 0.61 0.12 3.07 3.32 -1.78 0.60 116.42 123.16 3fb9 h ASP 76 Ca 0.21 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.07 3fb9 h ASP 76 Cb 0.02 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.46 3fb9 h ASP 76 CO -0.03 0.37 -0.95 0.40 -1.72 0.00 0.00 179.24 177.30 3fb9 h ILE 77 N 0.68 1.36 -0.58 0.35 1.08 -1.37 -1.77 117.51 117.26 3fb9 h ILE 77 Ca 0.35 -2.47 0.09 0.00 -0.39 0.00 0.00 64.86 62.44 3fb9 h ILE 77 Cb 0.45 3.03 -0.07 0.00 -3.07 0.00 0.00 36.82 37.16 3fb9 h ILE 77 CO -0.13 0.69 0.21 0.25 -0.69 0.00 0.00 178.15 178.48 3fb9 h LEU 78 N -0.42 0.21 -0.45 1.44 5.85 -0.63 -2.10 115.31 119.21 3fb9 h LEU 78 Ca -0.19 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3fb9 h LEU 78 Cb 1.62 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.70 3fb9 h LEU 78 CO 0.10 0.13 0.00 0.35 -0.34 0.00 0.00 178.44 178.68 3fb9 n THR 79 N -5.00 0.06 -2.24 1.05 -2.24 0.17 -4.92 114.28 101.16 3fb9 n THR 79 Ca 0.08 -0.13 -0.21 0.00 -2.27 0.00 0.00 64.05 61.52 3fb9 n THR 79 Cb 0.25 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 3fb9 n THR 79 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fb9 n GLU 80 N -0.38 -1.61 -0.16 -0.78 1.02 -0.79 -4.90 120.64 113.04 3fb9 n GLU 80 Ca 0.17 1.05 -0.09 0.00 -0.02 0.00 0.00 57.16 58.26 3fb9 n GLU 80 Cb 0.19 -5.65 -0.00 0.00 -0.02 0.00 0.00 31.44 25.96 3fb9 n GLU 80 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3fb9 h LYS 81 N 0.00 0.73 -5.97 3.49 3.64 -1.60 -3.40 116.57 113.47 3fb9 h LYS 81 Ca -0.48 -0.19 -0.66 0.00 -1.27 0.00 0.00 60.65 58.06 3fb9 h LYS 81 Cb 1.36 -0.09 -0.31 0.00 -0.41 0.00 0.00 32.23 32.78 3fb9 h LYS 81 CO 0.59 0.74 -0.87 -0.80 -2.27 0.00 0.00 179.45 176.84 3fb9 s ASN 82 N -6.11 2.81 0.02 4.20 0.01 -1.07 -2.67 114.94 112.13 3fb9 s ASN 82 Ca -0.13 -0.46 -0.05 0.00 -0.71 0.00 0.00 52.86 51.51 3fb9 s ASN 82 Cb 0.11 -0.64 -0.05 0.00 0.41 0.00 0.00 41.25 41.08 3fb9 s ASN 82 CO 0.79 0.24 0.25 -0.76 -1.51 0.00 0.00 177.10 176.11 3fb9 s LEU 83 N -0.24 4.36 0.00 0.60 1.43 0.24 -4.42 118.68 120.65 3fb9 s LEU 83 Ca -0.00 0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 53.59 3fb9 s LEU 83 Cb -0.12 -2.73 -0.00 0.00 0.03 0.00 0.00 46.19 43.37 3fb9 s LEU 83 CO 0.02 0.23 -0.00 -0.51 0.23 0.00 0.00 176.35 176.32 3fb9 s ILE 84 N -1.35 0.03 -0.01 -0.59 2.07 -1.26 -1.97 121.20 118.12 3fb9 s ILE 84 Ca 0.29 -0.24 0.01 0.00 -1.41 0.00 0.00 60.65 59.30 3fb9 s ILE 84 Cb -0.13 -0.08 0.00 0.00 0.13 0.00 0.00 42.46 42.38 3fb9 s ILE 84 CO 0.18 -0.13 -0.05 -2.28 -1.91 0.00 0.00 174.94 170.75 3fb9 s HIS 85 N -0.39 0.48 -0.50 3.50 5.65 0.07 -4.99 115.29 119.12 3fb9 s HIS 85 Ca -0.04 -0.09 -0.17 0.00 0.25 0.00 0.00 55.06 55.01 3fb9 s HIS 85 Cb -0.03 -0.35 0.07 0.00 -1.18 0.00 0.00 32.58 31.09 3fb9 s HIS 85 CO -0.00 -0.04 0.50 0.71 -0.65 0.00 0.00 174.74 175.25 3fb9 s TYR 86 N 0.13 3.17 0.18 3.88 2.02 -1.26 -1.18 117.35 124.28 3fb9 s TYR 86 Ca -0.01 -0.84 -0.24 0.00 -0.37 0.00 0.00 57.07 55.62 3fb9 s TYR 86 Cb -0.05 -3.39 -0.08 0.00 -0.40 0.00 0.00 41.96 38.04 3fb9 s TYR 86 CO -0.00 -0.92 0.76 -0.51 -1.57 0.00 0.00 175.55 173.30 3fb9 s LEU 87 N 2.02 4.53 0.00 -1.29 1.43 -0.53 -5.03 118.68 119.80 3fb9 s LEU 87 Ca 0.08 1.57 0.20 0.00 -1.03 0.00 0.00 54.13 54.95 3fb9 s LEU 87 Cb -0.23 -3.35 1.18 0.00 0.03 0.00 0.00 46.19 43.82 3fb9 s LEU 87 CO 0.08 0.17 1.57 0.47 0.23 0.00 0.00 176.35 178.87