#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fb9 s GLY 0 N 0.00 1.45 0.38 1.08 0.00 -1.26 -5.11 107.32 103.85 3fb9 s GLY 0 Ca 0.00 -1.71 -0.24 0.00 0.00 0.00 0.00 44.72 42.77 3fb9 s GLY 0 CO 0.00 -1.66 0.74 1.03 0.00 0.00 0.00 173.10 173.22 3fb9 n MET 1 N -0.37 0.85 -1.02 2.90 0.00 -1.26 -4.94 117.12 113.28 3fb9 n MET 1 Ca -0.06 0.31 -0.29 0.00 0.00 0.00 0.00 57.70 57.65 3fb9 n MET 1 Cb 0.63 -1.65 0.22 0.00 0.00 0.00 0.00 33.22 32.41 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 -0.83 1.47 0.54 7.83 1.04 -1.26 -4.82 113.70 117.68 3fb9 s SER 2 Ca 0.62 0.95 0.47 0.00 0.48 0.00 0.00 55.95 58.48 3fb9 s SER 2 Cb -0.64 -1.44 1.69 0.00 0.10 0.00 0.00 66.02 65.73 3fb9 s SER 2 CO 0.58 -3.82 1.60 -2.24 0.98 0.00 0.00 173.24 170.35 3fb9 h ASP 3 N -2.37 0.03 0.02 7.02 3.04 -2.00 0.62 116.42 122.77 3fb9 h ASP 3 Ca -0.51 0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 53.30 3fb9 h ASP 3 Cb 1.32 0.02 -0.00 0.00 -1.04 0.00 0.00 39.33 39.63 3fb9 h ASP 3 CO 0.46 -0.03 -0.00 0.00 -2.04 0.00 0.00 179.24 177.63 3fb9 h ALA 4 N 1.12 1.39 -0.37 4.15 0.00 -1.99 -2.98 119.26 120.59 3fb9 h ALA 4 Ca 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.79 3fb9 h ALA 4 Cb 3.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 21.28 3fb9 h ALA 4 CO -0.06 0.01 0.00 1.19 0.00 0.00 0.00 179.25 180.39 3fb9 n PHE 5 N -3.66 0.67 -1.79 0.00 3.72 0.21 -4.27 117.46 112.35 3fb9 n PHE 5 Ca -0.03 -0.59 -0.35 0.00 -0.05 0.00 0.00 57.45 56.44 3fb9 n PHE 5 Cb 0.08 -0.10 0.05 0.00 -0.94 0.00 0.00 39.48 38.58 3fb9 n PHE 5 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 3fb9 s THR 6 N -1.45 2.67 0.23 4.37 -1.32 -1.13 -4.82 115.64 114.20 3fb9 s THR 6 Ca 0.31 0.37 -0.06 0.00 -1.21 0.00 0.00 61.69 61.10 3fb9 s THR 6 Cb 0.19 -3.01 0.19 0.00 -1.51 0.00 0.00 72.50 68.36 3fb9 s THR 6 CO 0.16 -0.14 1.79 0.44 -2.21 0.00 0.00 174.62 174.66 3fb9 h ASP 7 N 0.36 0.53 -0.56 8.08 5.19 -1.93 -0.81 116.42 127.27 3fb9 h ASP 7 Ca -0.49 0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 55.89 3fb9 h ASP 7 Cb 1.29 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.74 3fb9 h ASP 7 CO 0.53 0.29 -0.02 0.58 -3.12 0.00 0.00 179.24 177.51 3fb9 h VAL 8 N 0.66 1.26 -0.41 -1.35 2.07 -1.95 -0.49 116.25 116.04 3fb9 h VAL 8 Ca 0.38 -1.16 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 3fb9 h VAL 8 Cb 0.40 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3fb9 h VAL 8 CO -0.27 0.42 -0.04 0.00 0.02 0.00 0.00 177.57 177.70 3fb9 h ALA 9 N 1.03 0.55 -0.27 1.67 0.00 -1.73 -2.24 119.26 118.27 3fb9 h ALA 9 Ca 0.16 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3fb9 h ALA 9 Cb 0.56 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3fb9 h ALA 9 CO 0.03 0.37 -0.32 0.87 0.00 0.00 0.00 179.25 180.20 3fb9 h LYS 10 N 0.57 0.69 -0.66 0.00 1.57 -1.06 -1.95 116.57 115.73 3fb9 h LYS 10 Ca 0.11 -0.38 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 3fb9 h LYS 10 Cb 0.54 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3fb9 h LYS 10 CO 0.03 1.00 0.09 1.98 -0.57 0.00 0.00 179.45 181.97 3fb9 h MET 11 N 0.42 1.11 -0.29 3.15 4.05 -1.11 0.52 114.93 122.76 3fb9 h MET 11 Ca 0.04 -0.31 0.03 0.00 -0.28 0.00 0.00 59.70 59.17 3fb9 h MET 11 Cb 0.89 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.54 3fb9 h MET 11 CO 0.08 1.02 0.12 -0.22 0.23 0.00 0.00 176.91 178.14 3fb9 h LYS 12 N 1.03 0.26 -0.74 0.39 3.64 -1.26 -1.55 116.57 118.35 3fb9 h LYS 12 Ca 0.20 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3fb9 h LYS 12 Cb 0.47 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 3fb9 h LYS 12 CO 0.02 0.17 0.48 -0.22 -2.27 0.00 0.00 179.45 177.63 3fb9 h LYS 13 N 0.27 0.95 -0.25 1.90 1.63 -0.97 -2.07 116.57 118.02 3fb9 h LYS 13 Ca 0.13 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 3fb9 h LYS 13 Cb 0.07 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 3fb9 h LYS 13 CO -0.11 0.63 0.09 0.82 -3.45 0.00 0.00 179.45 177.43 3fb9 h ILE 14 N 0.97 1.19 -0.88 2.00 2.04 -0.51 0.12 117.51 122.44 3fb9 h ILE 14 Ca 0.28 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3fb9 h ILE 14 Cb -0.08 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3fb9 h ILE 14 CO -0.07 0.19 0.47 0.11 0.00 0.00 0.00 178.15 178.85 3fb9 h LYS 15 N 0.25 1.24 -0.34 2.37 1.57 -1.21 -1.61 116.57 118.85 3fb9 h LYS 15 Ca 0.08 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3fb9 h LYS 15 Cb 0.21 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3fb9 h LYS 15 CO -0.00 0.92 0.07 0.93 -0.57 0.00 0.00 179.45 180.79 3fb9 h GLU 16 N 1.24 0.55 -0.47 3.15 5.08 -1.04 -1.78 114.58 121.31 3fb9 h GLU 16 Ca 0.31 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 3fb9 h GLU 16 Cb 0.05 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3fb9 h GLU 16 CO -0.05 0.62 -0.24 0.93 -1.00 0.00 0.00 179.01 179.27 3fb9 h GLU 17 N 0.39 1.00 -0.24 2.33 5.08 -0.48 -1.52 114.58 121.15 3fb9 h GLU 17 Ca 0.11 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 3fb9 h GLU 17 Cb 0.32 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3fb9 h GLU 17 CO 0.00 1.12 0.09 0.82 -1.00 0.00 0.00 179.01 180.04 3fb9 h ILE 18 N 0.85 1.18 -0.86 3.13 1.08 -1.31 -2.17 117.51 119.41 3fb9 h ILE 18 Ca 0.10 -0.55 -0.00 0.00 -0.39 0.00 0.00 64.86 64.02 3fb9 h ILE 18 Cb 0.82 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 35.64 3fb9 h ILE 18 CO 0.07 0.18 0.52 0.50 -0.69 0.00 0.00 178.15 178.73 3fb9 h LYS 19 N 0.22 1.17 0.00 2.37 3.64 -1.20 -2.23 116.57 120.54 3fb9 h LYS 19 Ca 0.08 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 3fb9 h LYS 19 Cb 0.20 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3fb9 h LYS 19 CO -0.00 0.82 -0.40 0.00 -2.27 0.00 0.00 179.45 177.59 3fb9 h ALA 20 N 1.28 1.14 -0.31 5.00 0.00 -1.10 -2.79 119.26 122.48 3fb9 h ALA 20 Ca 0.31 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fb9 h ALA 20 Cb -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3fb9 h ALA 20 CO -0.06 0.50 0.00 1.58 0.00 0.00 0.00 179.25 181.28 3fb9 n HIS 21 N -3.78 0.41 -1.68 0.00 -0.00 -0.83 -4.98 115.22 104.36 3fb9 n HIS 21 Ca -0.01 -0.21 -0.45 0.00 0.46 0.00 0.00 57.72 57.52 3fb9 n HIS 21 Cb 0.47 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.31 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 0.59 2.13 -0.04 1.57 2.13 -1.06 -1.26 120.64 124.71 3fb9 n GLU 22 Ca 0.15 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.73 3fb9 n GLU 22 Cb 0.35 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.60 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 2.52 1.54 3.96 8.31 0.00 0.97 -5.03 105.19 117.47 3fb9 n GLY 23 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.47 2.38 0.10 1.61 -0.21 -0.39 -4.70 119.66 117.98 3fb9 s GLN 24 Ca 0.00 -1.71 -0.21 0.00 0.02 0.00 0.00 55.36 53.46 3fb9 s GLN 24 Cb 0.00 -2.44 -0.07 0.00 1.00 0.00 0.00 33.01 31.50 3fb9 s GLN 24 CO 0.00 -0.62 0.62 0.08 -2.12 0.00 0.00 175.29 173.25 3fb9 s VAL 25 N -2.64 4.64 0.09 1.09 1.01 -1.26 -1.13 120.40 122.20 3fb9 s VAL 25 Ca 0.50 1.34 0.09 0.00 0.00 0.00 0.00 61.98 63.91 3fb9 s VAL 25 Cb -0.05 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 3fb9 s VAL 25 CO 0.31 0.54 -0.24 0.68 0.00 0.00 0.00 175.10 176.39 3fb9 s VAL 26 N -1.13 1.94 -0.19 2.92 -7.23 0.43 -1.44 120.40 115.70 3fb9 s VAL 26 Ca 0.31 -1.51 -0.09 0.00 -1.81 0.00 0.00 61.98 58.87 3fb9 s VAL 26 Cb -0.20 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 3fb9 s VAL 26 CO 0.21 0.11 0.12 -0.70 -0.31 0.00 0.00 175.10 174.53 3fb9 s GLU 27 N -1.69 4.08 0.08 4.82 2.12 -0.08 -0.87 118.70 127.15 3fb9 s GLU 27 Ca 0.10 -0.23 0.04 0.00 0.36 0.00 0.00 54.97 55.24 3fb9 s GLU 27 Cb -0.10 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 3fb9 s GLU 27 CO 0.04 0.34 -0.12 -1.64 -0.54 0.00 0.00 175.26 173.34 3fb9 s MET 28 N 0.22 0.78 0.37 4.30 -1.94 0.06 -0.79 119.30 122.31 3fb9 s MET 28 Ca 0.08 -0.98 0.08 0.00 -1.71 0.00 0.00 55.69 53.15 3fb9 s MET 28 Cb -0.11 -0.64 -0.07 0.00 2.01 0.00 0.00 34.83 36.01 3fb9 s MET 28 CO -0.01 0.13 -0.02 -0.08 -0.01 0.00 0.00 175.02 175.02 3fb9 s THR 29 N -1.66 1.98 -0.23 2.05 -1.32 -0.45 -1.29 115.64 114.73 3fb9 s THR 29 Ca -0.01 -2.08 0.01 0.00 -1.21 0.00 0.00 61.69 58.41 3fb9 s THR 29 Cb -0.08 -2.83 0.06 0.00 -1.51 0.00 0.00 72.50 68.14 3fb9 s THR 29 CO 0.01 -0.09 -0.08 -0.22 -2.21 0.00 0.00 174.62 172.04 3fb9 s LEU 30 N -3.64 2.75 -0.91 9.08 2.96 -1.26 -3.47 118.68 124.19 3fb9 s LEU 30 Ca 0.34 -1.18 -0.21 0.00 -0.22 0.00 0.00 54.13 52.86 3fb9 s LEU 30 Cb 0.07 -1.29 -0.12 0.00 0.50 0.00 0.00 46.19 45.35 3fb9 s LEU 30 CO 0.17 -0.20 1.97 -0.62 -1.32 0.00 0.00 176.35 176.35 3fb9 n GLU 31 N 4.61 1.75 -0.83 1.98 -0.58 -0.20 -5.03 120.64 122.34 3fb9 n GLU 31 Ca -0.13 -2.01 0.00 0.00 -0.42 0.00 0.00 57.16 54.60 3fb9 n GLU 31 Cb 0.44 -3.02 0.00 0.00 -0.57 0.00 0.00 31.44 28.29 3fb9 n GLU 31 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3fb9 n LYS 38 N 6.92 0.00 -1.54 3.49 4.81 -1.26 -5.00 118.16 125.58 3fb9 n LYS 38 Ca 0.50 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.55 3fb9 n LYS 38 Cb 0.41 -2.14 0.04 0.00 0.02 0.00 0.00 35.03 33.35 3fb9 n LYS 38 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3fb9 n ASN 39 N 0.00 -0.03 -4.02 3.14 4.13 -1.26 -4.92 115.26 112.29 3fb9 n ASN 39 Ca 0.00 0.81 -0.13 0.00 1.68 0.00 0.00 54.58 56.93 3fb9 n ASN 39 Cb 0.00 -1.28 -0.12 0.00 -1.54 0.00 0.00 39.78 36.84 3fb9 n ASN 39 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3fb9 s ARG 40 N -2.33 0.46 -0.10 3.52 0.52 -0.41 -4.99 118.95 115.62 3fb9 s ARG 40 Ca 0.71 -0.58 -0.06 0.00 -0.52 0.00 0.00 55.73 55.28 3fb9 s ARG 40 Cb -0.45 -0.27 -0.04 0.00 0.52 0.00 0.00 34.95 34.71 3fb9 s ARG 40 CO 0.52 0.05 0.12 -0.51 0.02 0.00 0.00 175.30 175.50 3fb9 s LEU 41 N -1.16 4.26 0.16 2.53 1.43 -1.26 -0.76 118.68 123.87 3fb9 s LEU 41 Ca -0.07 0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.37 3fb9 s LEU 41 Cb -0.08 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 3fb9 s LEU 41 CO 0.00 0.39 0.19 -0.83 0.23 0.00 0.00 176.35 176.32 3fb9 s GLY 42 N -1.13 0.75 -0.19 -3.19 0.00 -0.05 -4.11 107.32 99.40 3fb9 s GLY 42 Ca 0.16 -1.17 -0.09 0.00 0.00 0.00 0.00 44.72 43.62 3fb9 s GLY 42 CO 0.06 -1.08 0.12 0.54 0.00 0.00 0.00 173.10 172.74 3fb9 s LYS 43 N -4.01 4.09 -1.10 2.90 1.02 0.22 -0.43 119.74 122.43 3fb9 s LYS 43 Ca 0.21 -0.24 -0.21 0.00 0.02 0.00 0.00 55.97 55.76 3fb9 s LYS 43 Cb 0.05 -3.36 0.07 0.00 -0.52 0.00 0.00 37.83 34.07 3fb9 s LYS 43 CO 0.02 0.33 1.49 -1.17 -0.92 0.00 0.00 175.35 175.10 3fb9 s LEU 44 N 0.25 3.85 0.21 3.17 2.96 -0.28 -0.96 118.68 127.88 3fb9 s LEU 44 Ca 0.08 -1.87 0.14 0.00 -0.22 0.00 0.00 54.13 52.26 3fb9 s LEU 44 Cb -0.11 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.02 3fb9 s LEU 44 CO -0.01 -1.33 1.30 0.16 -1.32 0.00 0.00 176.35 175.15 3fb9 h ILE 45 N 6.24 0.92 -3.14 6.68 3.07 -1.54 0.28 117.51 130.01 3fb9 h ILE 45 Ca 0.27 -2.35 -0.14 0.00 1.55 0.00 0.00 64.86 64.18 3fb9 h ILE 45 Cb 0.97 2.41 -0.23 0.00 -0.27 0.00 0.00 36.82 39.70 3fb9 h ILE 45 CO 1.39 0.52 -0.37 -1.61 -1.05 0.00 0.00 178.15 177.03 3fb9 s GLU 46 N -2.91 0.47 -0.06 0.16 0.41 -1.16 -4.77 118.70 110.83 3fb9 s GLU 46 Ca 0.02 0.04 0.00 0.00 -0.41 0.00 0.00 54.97 54.62 3fb9 s GLU 46 Cb 0.08 0.21 0.02 0.00 -1.78 0.00 0.00 34.13 32.67 3fb9 s GLU 46 CO 0.77 -0.10 -0.04 0.08 -0.49 0.00 0.00 175.26 175.48 3fb9 s VAL 47 N -0.64 0.58 0.35 2.63 1.01 -1.26 -1.04 120.40 122.02 3fb9 s VAL 47 Ca -0.07 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3fb9 s VAL 47 Cb -0.04 -0.63 -0.06 0.00 0.00 0.00 0.00 36.38 35.65 3fb9 s VAL 47 CO 0.02 0.25 0.05 -0.31 0.00 0.00 0.00 175.10 175.12 3fb9 s TYR 48 N 1.21 2.04 0.40 5.22 2.02 0.07 -5.01 117.35 123.30 3fb9 s TYR 48 Ca -0.06 -0.94 0.09 0.00 -0.37 0.00 0.00 57.07 55.79 3fb9 s TYR 48 Cb -0.14 -1.36 0.89 0.00 -0.40 0.00 0.00 41.96 40.95 3fb9 s TYR 48 CO -0.02 0.06 1.99 -1.35 -1.57 0.00 0.00 175.55 174.67 3fb9 h PRO 49 N 2.01 0.55 -0.00 -1.71 0.11 -2.03 -3.17 132.00 127.75 3fb9 h PRO 49 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fb9 h PRO 49 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fb9 h PRO 49 CO 0.71 0.36 -0.06 -1.13 -0.21 0.00 0.00 178.00 177.67 3fb9 n SER 50 N -4.48 0.97 -3.65 -2.05 3.41 -1.26 -5.01 113.62 101.55 3fb9 n SER 50 Ca 0.08 -0.98 -0.08 0.00 -0.26 0.00 0.00 58.87 57.63 3fb9 n SER 50 Cb 0.24 0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.97 -0.35 0.06 1.04 0.05 -1.20 -4.37 118.68 112.95 3fb9 s LEU 51 Ca 0.04 -0.29 -0.00 0.00 0.05 0.00 0.00 54.13 53.92 3fb9 s LEU 51 Cb 0.03 2.45 -0.04 0.00 -2.05 0.00 0.00 46.19 46.59 3fb9 s LEU 51 CO 0.09 -1.03 -0.04 0.72 -0.55 0.00 0.00 176.35 175.54 3fb9 s PHE 52 N -3.60 0.64 -0.08 3.48 -0.12 -0.40 -0.75 117.98 117.14 3fb9 s PHE 52 Ca 0.07 -1.00 0.02 0.00 -0.05 0.00 0.00 56.93 55.98 3fb9 s PHE 52 Cb -0.03 -0.43 0.01 0.00 -0.63 0.00 0.00 43.02 41.95 3fb9 s PHE 52 CO -0.02 -0.29 -0.15 0.42 -0.05 0.00 0.00 175.22 175.13 3fb9 s ILE 53 N -3.72 1.34 -0.05 -4.49 1.01 -0.21 -0.67 121.20 114.40 3fb9 s ILE 53 Ca 0.08 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.19 3fb9 s ILE 53 Cb 0.06 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 3fb9 s ILE 53 CO -0.08 0.40 -0.22 -0.69 0.00 0.00 0.00 174.94 174.36 3fb9 s VAL 54 N 0.67 1.78 -0.25 2.92 1.01 -0.32 -1.37 120.40 124.84 3fb9 s VAL 54 Ca -0.14 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 3fb9 s VAL 54 Cb -0.16 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 3fb9 s VAL 54 CO 0.04 0.50 0.21 -0.70 0.00 0.00 0.00 175.10 175.15 3fb9 s GLU 55 N -0.05 4.03 0.03 2.72 2.12 -0.14 -0.97 118.70 126.45 3fb9 s GLU 55 Ca -0.04 -0.22 0.04 0.00 0.36 0.00 0.00 54.97 55.10 3fb9 s GLU 55 Cb -0.13 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 3fb9 s GLU 55 CO 0.03 -0.07 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.58 3fb9 s PHE 56 N 1.43 2.93 0.00 5.30 0.08 0.10 -0.61 117.98 127.21 3fb9 s PHE 56 Ca 0.09 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.11 3fb9 s PHE 56 Cb -0.15 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 3fb9 s PHE 56 CO 0.08 0.42 0.00 0.41 -0.10 0.00 0.00 175.22 176.03 3fb9 n GLY 57 N 1.19 1.10 0.06 4.36 0.00 -1.26 -1.03 105.19 109.61 3fb9 n GLY 57 Ca -0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 2.22 -4.73 1.61 2.03 -1.26 -0.54 116.55 115.87 3fb9 n ASP 58 Ca 0.00 -2.81 -0.39 0.00 0.52 0.00 0.00 54.79 52.12 3fb9 n ASP 58 Cb 0.00 -0.32 -0.05 0.00 -0.72 0.00 0.00 41.12 40.02 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 -2.38 5.09 0.06 5.18 1.01 -1.26 -4.93 120.40 123.17 3fb9 s VAL 59 Ca 0.24 1.16 -0.36 0.00 0.00 0.00 0.00 61.98 63.02 3fb9 s VAL 59 Cb 0.21 -3.91 -0.15 0.00 0.00 0.00 0.00 36.38 32.53 3fb9 s VAL 59 CO 0.02 0.32 1.50 1.21 0.00 0.00 0.00 175.10 178.15 3fb9 n GLU 60 N 3.52 1.55 0.00 2.72 2.13 -1.26 -1.09 120.64 128.21 3fb9 n GLU 60 Ca -0.05 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.33 3fb9 n GLU 60 Cb 0.51 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.96 3fb9 n GLU 60 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fb9 n GLY 61 N 3.12 2.78 2.81 8.31 0.00 -1.26 -4.83 105.19 116.13 3fb9 n GLY 61 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 1.21 -4.75 1.61 2.03 -0.25 -5.05 116.55 111.35 3fb9 n ASP 62 Ca 0.00 -2.08 -0.41 0.00 0.52 0.00 0.00 54.79 52.82 3fb9 n ASP 62 Cb 0.00 -0.35 -0.03 0.00 -0.72 0.00 0.00 41.12 40.02 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 -3.32 4.51 0.20 -0.67 -0.14 -1.03 -4.39 119.74 114.90 3fb9 s LYS 63 Ca 0.25 1.95 0.06 0.00 -1.36 0.00 0.00 55.97 56.87 3fb9 s LYS 63 Cb 0.34 -3.17 -0.05 0.00 -1.68 0.00 0.00 37.83 33.27 3fb9 s LYS 63 CO -0.05 -0.00 -0.09 -0.65 -0.76 0.00 0.00 175.35 173.80 3fb9 s GLN 64 N -1.12 1.27 0.16 1.68 -1.52 0.30 -4.99 119.66 115.43 3fb9 s GLN 64 Ca 0.49 -1.58 -0.14 0.00 -1.95 0.00 0.00 55.36 52.17 3fb9 s GLN 64 Cb -0.34 -0.87 0.05 0.00 -0.22 0.00 0.00 33.01 31.63 3fb9 s GLN 64 CO 0.43 0.08 1.77 0.28 -0.25 0.00 0.00 175.29 177.59 3fb9 h VAL 65 N 2.58 1.18 -3.71 1.09 2.07 -1.96 -3.41 116.25 114.09 3fb9 h VAL 65 Ca -0.38 -0.47 -0.63 0.00 0.82 0.00 0.00 66.70 66.04 3fb9 h VAL 65 Cb 1.21 0.55 -0.14 0.00 -1.52 0.00 0.00 31.29 31.39 3fb9 h VAL 65 CO 0.64 0.19 -0.22 0.20 0.02 0.00 0.00 177.57 178.40 3fb9 s ASN 66 N -5.84 6.27 -0.25 0.57 0.01 -1.26 -5.06 114.94 109.38 3fb9 s ASN 66 Ca -0.13 0.31 -0.09 0.00 -0.71 0.00 0.00 52.86 52.24 3fb9 s ASN 66 Cb 0.12 -2.22 -0.04 0.00 0.41 0.00 0.00 41.25 39.52 3fb9 s ASN 66 CO 0.76 -0.19 0.12 -0.69 -1.51 0.00 0.00 177.10 175.58 3fb9 s VAL 67 N 2.09 4.78 0.17 1.60 1.01 -1.26 -4.46 120.40 124.32 3fb9 s VAL 67 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 3fb9 s VAL 67 Cb -0.16 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3fb9 s VAL 67 CO 0.10 0.32 0.11 -0.72 0.00 0.00 0.00 175.10 174.91 3fb9 s TYR 68 N 1.49 0.99 -0.04 5.22 -0.85 -0.20 -4.98 117.35 118.98 3fb9 s TYR 68 Ca 0.06 -1.28 0.07 0.00 -0.52 0.00 0.00 57.07 55.40 3fb9 s TYR 68 Cb -0.15 -0.49 -0.01 0.00 0.38 0.00 0.00 41.96 41.69 3fb9 s TYR 68 CO 0.06 -0.60 -0.24 0.08 -1.52 0.00 0.00 175.55 173.33 3fb9 s VAL 69 N -4.10 1.92 -0.01 -3.49 1.01 -1.26 0.03 120.40 114.50 3fb9 s VAL 69 Ca 0.31 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3fb9 s VAL 69 Cb 0.07 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 3fb9 s VAL 69 CO 0.07 0.54 -0.07 -0.70 0.00 0.00 0.00 175.10 174.94 3fb9 s GLU 70 N -0.32 0.66 0.02 2.72 2.12 -0.14 -5.00 118.70 118.75 3fb9 s GLU 70 Ca 0.02 -0.24 -0.03 0.00 0.36 0.00 0.00 54.97 55.09 3fb9 s GLU 70 Cb -0.12 -0.64 -0.04 0.00 0.26 0.00 0.00 34.13 33.59 3fb9 s GLU 70 CO 0.01 0.11 0.21 -1.54 -0.54 0.00 0.00 175.26 173.52 3fb9 s SER 71 N 0.04 6.39 0.08 -1.70 1.04 -1.26 -1.17 113.70 117.12 3fb9 s SER 71 Ca -0.00 0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.86 3fb9 s SER 71 Cb -0.05 -2.01 -0.03 0.00 0.10 0.00 0.00 66.02 64.03 3fb9 s SER 71 CO -0.00 0.23 -0.16 -0.36 0.98 0.00 0.00 173.24 173.93 3fb9 s PHE 72 N -1.38 1.34 0.42 5.02 0.08 0.16 -5.00 117.98 118.62 3fb9 s PHE 72 Ca 0.30 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.91 3fb9 s PHE 72 Cb -0.13 -0.75 -0.01 0.00 -0.57 0.00 0.00 43.02 41.57 3fb9 s PHE 72 CO 0.21 0.09 0.64 0.95 -0.10 0.00 0.00 175.22 177.00 3fb9 s THR 73 N -1.23 4.20 0.34 0.64 -4.23 -1.26 -1.28 115.64 112.81 3fb9 s THR 73 Ca -0.00 -0.52 0.11 0.00 -1.18 0.00 0.00 61.69 60.10 3fb9 s THR 73 Cb -0.10 -3.54 0.06 0.00 1.34 0.00 0.00 72.50 70.26 3fb9 s THR 73 CO 0.03 -0.36 1.76 1.88 -0.54 0.00 0.00 174.62 177.39 3fb9 h TYR 74 N 0.49 0.04 -0.80 3.99 0.05 -1.95 -2.60 116.97 116.20 3fb9 h TYR 74 Ca -0.47 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.38 3fb9 h TYR 74 Cb 1.25 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 38.92 3fb9 h TYR 74 CO 0.46 0.46 0.52 1.03 -1.05 0.00 0.00 178.16 179.58 3fb9 h SER 75 N 0.03 0.71 -0.91 3.88 0.87 -1.94 -0.79 113.55 115.41 3fb9 h SER 75 Ca -0.00 0.01 0.17 0.00 -1.23 0.00 0.00 61.79 60.74 3fb9 h SER 75 Cb 0.77 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.52 3fb9 h SER 75 CO 0.06 0.44 0.58 0.44 -0.53 0.00 0.00 176.83 177.82 3fb9 h ASP 76 N 0.80 0.60 0.10 6.23 3.32 -1.86 0.80 116.42 126.41 3fb9 h ASP 76 Ca 0.36 0.05 -0.19 0.00 0.02 0.00 0.00 57.03 57.27 3fb9 h ASP 76 Cb 0.34 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3fb9 h ASP 76 CO -0.13 0.27 -0.91 0.40 -1.72 0.00 0.00 179.24 177.15 3fb9 h ILE 77 N 0.62 1.35 -0.43 0.35 1.08 -1.43 -2.34 117.51 116.71 3fb9 h ILE 77 Ca 0.47 -2.43 0.04 0.00 -0.39 0.00 0.00 64.86 62.55 3fb9 h ILE 77 Cb 0.87 2.99 -0.04 0.00 -3.07 0.00 0.00 36.82 37.57 3fb9 h ILE 77 CO -0.22 0.66 0.22 0.25 -0.69 0.00 0.00 178.15 178.37 3fb9 h LEU 78 N -0.52 0.31 0.00 1.44 5.85 -0.78 -1.56 115.31 120.05 3fb9 h LEU 78 Ca -0.19 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3fb9 h LEU 78 Cb 1.54 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.54 3fb9 h LEU 78 CO 0.06 0.22 0.00 0.35 -0.34 0.00 0.00 178.44 178.73 3fb9 n THR 79 N -4.91 0.31 -1.72 1.05 -2.24 0.24 -4.89 114.28 102.12 3fb9 n THR 79 Ca 0.03 0.08 -0.18 0.00 -2.27 0.00 0.00 64.05 61.70 3fb9 n THR 79 Cb 0.11 -0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 67.54 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 -1.24 -1.31 -0.08 -0.78 1.02 -0.59 -4.90 120.64 112.77 3fb9 n GLU 80 Ca 0.11 1.08 -0.07 0.00 -0.02 0.00 0.00 57.16 58.25 3fb9 n GLU 80 Cb 0.15 -5.41 -0.00 0.00 -0.02 0.00 0.00 31.44 26.16 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 0.21 -5.73 3.49 3.64 -1.72 -3.42 116.57 113.03 3fb9 h LYS 81 Ca -0.39 -0.01 -0.69 0.00 -1.27 0.00 0.00 60.65 58.29 3fb9 h LYS 81 Cb 1.22 -0.05 -0.32 0.00 -0.41 0.00 0.00 32.23 32.67 3fb9 h LYS 81 CO 0.54 0.14 -0.88 -0.80 -2.27 0.00 0.00 179.45 176.18 3fb9 s ASN 82 N -5.33 3.09 0.10 4.20 0.01 -0.92 -1.03 114.94 115.06 3fb9 s ASN 82 Ca -0.13 -0.53 -0.02 0.00 -0.71 0.00 0.00 52.86 51.47 3fb9 s ASN 82 Cb 0.11 -1.08 -0.05 0.00 0.41 0.00 0.00 41.25 40.64 3fb9 s ASN 82 CO 0.70 0.21 0.28 -0.76 -1.51 0.00 0.00 177.10 176.02 3fb9 s LEU 83 N 0.04 4.32 0.01 0.60 1.43 -1.23 -4.35 118.68 119.51 3fb9 s LEU 83 Ca -0.10 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 3fb9 s LEU 83 Cb -0.16 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 3fb9 s LEU 83 CO 0.06 0.12 -0.06 -0.51 0.23 0.00 0.00 176.35 176.19 3fb9 s ILE 84 N -1.58 0.45 -0.00 -0.59 2.07 -1.26 -1.34 121.20 118.95 3fb9 s ILE 84 Ca 0.37 -0.53 0.02 0.00 -1.41 0.00 0.00 60.65 59.10 3fb9 s ILE 84 Cb -0.13 -0.44 -0.00 0.00 0.13 0.00 0.00 42.46 42.02 3fb9 s ILE 84 CO 0.27 -0.06 -0.05 -2.28 -1.91 0.00 0.00 174.94 170.90 3fb9 s HIS 85 N -0.57 0.47 -0.41 3.50 5.65 0.03 -4.99 115.29 118.97 3fb9 s HIS 85 Ca -0.02 -0.09 -0.14 0.00 0.25 0.00 0.00 55.06 55.06 3fb9 s HIS 85 Cb -0.05 -0.30 0.03 0.00 -1.18 0.00 0.00 32.58 31.08 3fb9 s HIS 85 CO 0.00 -0.01 0.29 0.71 -0.65 0.00 0.00 174.74 175.08 3fb9 s TYR 86 N -0.12 3.24 0.09 3.88 2.02 -1.26 -0.90 117.35 124.30 3fb9 s TYR 86 Ca 0.02 -0.73 -0.21 0.00 -0.37 0.00 0.00 57.07 55.78 3fb9 s TYR 86 Cb -0.02 -2.64 -0.07 0.00 -0.40 0.00 0.00 41.96 38.83 3fb9 s TYR 86 CO -0.00 -0.63 0.62 -0.51 -1.57 0.00 0.00 175.55 173.45 3fb9 s LEU 87 N 1.64 4.54 0.00 -1.29 1.43 -0.52 -5.00 118.68 119.48 3fb9 s LEU 87 Ca 0.04 1.35 0.22 0.00 -1.03 0.00 0.00 54.13 54.71 3fb9 s LEU 87 Cb -0.20 -2.99 0.18 0.00 0.03 0.00 0.00 46.19 43.21 3fb9 s LEU 87 CO 0.09 0.25 1.21 0.47 0.23 0.00 0.00 176.35 178.60