#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imq h PRO -3 N 0.00 0.00 -0.82 1.61 0.11 -2.02 -3.08 132.00 127.80 3imq h PRO -3 Ca 0.00 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.18 3imq h PRO -3 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 3imq h PRO -3 CO 0.00 0.00 0.49 1.25 -0.21 0.00 0.00 178.00 179.53 3imq h LEU -2 N 0.00 0.74 0.00 2.35 5.85 -1.99 -1.47 115.31 120.80 3imq h LEU -2 Ca 0.14 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3imq h LEU -2 Cb 0.88 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3imq h LEU -2 CO -0.00 0.46 0.00 0.61 -0.34 0.00 0.00 178.44 179.16 3imq n GLY -1 N -1.32 -0.68 0.32 3.75 0.00 -1.16 -2.12 105.19 103.98 3imq n GLY -1 Ca 0.12 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3imq n GLY -1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3imq n SER 0 N -1.07 2.52 -4.51 1.61 7.64 -0.56 -4.97 113.62 114.29 3imq n SER 0 Ca 0.13 -2.17 -0.39 0.00 1.01 0.00 0.00 58.87 57.45 3imq n SER 0 Cb 0.09 -0.17 -0.11 0.00 -1.01 0.00 0.00 64.21 63.01 3imq n SER 0 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3imq s MET 1 N -1.30 3.53 0.21 1.43 1.00 -0.90 -4.97 119.30 118.31 3imq s MET 1 Ca 0.15 -0.61 -0.08 0.00 0.00 0.00 0.00 55.69 55.15 3imq s MET 1 Cb 0.10 -3.69 0.16 0.00 0.00 0.00 0.00 34.83 31.40 3imq s MET 1 CO 0.07 -0.38 1.78 1.96 0.00 0.00 0.00 175.02 178.44 3imq h GLN 2 N 8.42 1.20 -4.03 2.03 1.08 -1.93 -3.35 115.11 118.52 3imq h GLN 2 Ca -0.32 -0.22 -0.73 0.00 -1.45 0.00 0.00 58.65 55.93 3imq h GLN 2 Cb 1.16 -0.19 -0.30 0.00 -0.05 0.00 0.00 27.48 28.09 3imq h GLN 2 CO 0.61 0.97 -0.29 1.21 -0.95 0.00 0.00 178.83 180.38 3imq s ASN 3 N -6.36 5.78 -0.68 1.46 3.04 -1.26 -4.99 114.94 111.92 3imq s ASN 3 Ca -0.12 -2.30 -0.21 0.00 0.04 0.00 0.00 52.86 50.26 3imq s ASN 3 Cb 0.16 -2.01 -0.17 0.00 -1.54 0.00 0.00 41.25 37.69 3imq s ASN 3 CO 0.84 -0.59 1.89 0.00 -3.04 0.00 0.00 177.10 176.20 3imq n GLN 4 N 4.36 1.36 -3.75 0.43 1.13 -1.26 -3.89 117.38 115.76 3imq n GLN 4 Ca 0.00 -1.69 -0.13 0.00 -1.94 0.00 0.00 57.00 53.24 3imq n GLN 4 Cb 0.41 -2.82 -0.14 0.00 0.11 0.00 0.00 30.24 27.81 3imq n GLN 4 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3imq s ARG 5 N 5.09 0.13 -0.21 -1.09 3.52 -1.26 -3.63 118.95 121.49 3imq s ARG 5 Ca 0.56 0.40 -0.05 0.00 -0.13 0.00 0.00 55.73 56.51 3imq s ARG 5 Cb 0.14 -0.15 -0.02 0.00 -1.56 0.00 0.00 34.95 33.36 3imq s ARG 5 CO 0.13 -0.16 0.01 0.42 -0.81 0.00 0.00 175.30 174.89 3imq s ILE 6 N 1.13 3.99 -0.18 4.11 1.01 0.43 -1.93 121.20 129.76 3imq s ILE 6 Ca -0.09 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 3imq s ILE 6 Cb -0.11 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 3imq s ILE 6 CO -0.06 0.41 -0.02 -0.13 0.00 0.00 0.00 174.94 175.14 3imq s ARG 7 N 1.12 3.62 -0.09 2.79 0.52 -0.25 -0.14 118.95 126.52 3imq s ARG 7 Ca 0.03 -0.53 0.03 0.00 -0.52 0.00 0.00 55.73 54.74 3imq s ARG 7 Cb -0.14 -3.01 0.01 0.00 0.52 0.00 0.00 34.95 32.32 3imq s ARG 7 CO 0.02 0.08 -0.19 0.42 0.02 0.00 0.00 175.30 175.65 3imq s ILE 8 N 0.80 1.68 -0.14 1.52 1.01 0.21 -0.93 121.20 125.35 3imq s ILE 8 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3imq s ILE 8 Cb -0.14 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.84 3imq s ILE 8 CO 0.02 0.47 -0.15 -0.60 0.00 0.00 0.00 174.94 174.69 3imq s ARG 9 N 0.49 3.30 -0.04 2.79 3.52 0.01 -1.59 118.95 127.42 3imq s ARG 9 Ca -0.17 -0.72 0.05 0.00 -0.13 0.00 0.00 55.73 54.76 3imq s ARG 9 Cb -0.17 -2.61 -0.02 0.00 -1.56 0.00 0.00 34.95 30.59 3imq s ARG 9 CO 0.07 0.14 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.00 3imq s LEU 10 N 0.52 2.50 0.09 -0.88 1.43 0.29 -1.10 118.68 121.53 3imq s LEU 10 Ca -0.10 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.76 3imq s LEU 10 Cb -0.16 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3imq s LEU 10 CO 0.04 0.32 -0.14 -0.54 0.23 0.00 0.00 176.35 176.26 3imq s LYS 11 N -0.61 0.91 -0.13 1.70 1.02 -0.18 -1.81 119.74 120.63 3imq s LYS 11 Ca 0.09 -1.08 -0.34 0.00 0.02 0.00 0.00 55.97 54.67 3imq s LYS 11 Cb -0.11 -0.86 0.13 0.00 -0.52 0.00 0.00 37.83 36.47 3imq s LYS 11 CO 0.00 0.18 1.20 0.00 -0.92 0.00 0.00 175.35 175.81 3imq s ALA 12 N -1.66 -2.08 -0.12 5.17 0.00 -0.81 -0.82 121.76 121.45 3imq s ALA 12 Ca 0.03 1.34 0.17 0.00 0.00 0.00 0.00 51.96 53.50 3imq s ALA 12 Cb -0.08 0.04 -0.19 0.00 0.00 0.00 0.00 23.12 22.89 3imq s ALA 12 CO 0.02 -0.70 0.61 1.19 0.00 0.00 0.00 175.76 176.88 3imq n PHE 13 N -0.19 0.69 -3.64 0.00 0.99 -1.26 0.19 117.46 114.23 3imq n PHE 13 Ca -0.02 0.23 -0.39 0.00 -0.00 0.00 0.00 57.45 57.28 3imq n PHE 13 Cb 0.59 -1.03 -0.12 0.00 -1.00 0.00 0.00 39.48 37.93 3imq n PHE 13 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3imq s ASP 14 N -5.64 5.60 0.41 4.37 -1.08 -1.26 -4.80 116.67 114.27 3imq s ASP 14 Ca -0.05 -0.48 0.15 0.00 -0.52 0.00 0.00 52.55 51.65 3imq s ASP 14 Cb 0.09 -2.02 0.86 0.00 -1.46 0.00 0.00 42.92 40.39 3imq s ASP 14 CO 0.83 -0.19 1.89 1.12 0.52 0.00 0.00 175.17 179.34 3imq h HIS 15 N 8.36 0.00 -0.64 -5.34 2.07 -1.97 -1.70 115.15 115.93 3imq h HIS 15 Ca -0.32 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.11 3imq h HIS 15 Cb 1.15 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.11 3imq h HIS 15 CO 0.65 0.30 0.05 0.00 -3.07 0.00 0.00 177.93 175.86 3imq h ARG 16 N 0.00 1.09 -0.28 5.12 3.08 -1.99 -1.24 114.38 120.16 3imq h ARG 16 Ca -0.00 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.66 3imq h ARG 16 Cb 0.55 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3imq h ARG 16 CO 0.04 1.03 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.81 3imq h LEU 17 N 1.01 0.56 -0.79 3.04 3.38 -1.77 -1.92 115.31 118.82 3imq h LEU 17 Ca 0.19 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3imq h LEU 17 Cb 0.51 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3imq h LEU 17 CO 0.02 0.81 0.02 -0.29 0.09 0.00 0.00 178.44 179.10 3imq h ILE 18 N 0.31 1.25 -0.24 1.22 2.10 -1.25 -1.26 117.51 119.64 3imq h ILE 18 Ca 0.07 -1.06 -0.15 0.00 1.08 0.00 0.00 64.86 64.80 3imq h ILE 18 Cb 0.58 0.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 3imq h ILE 18 CO 0.03 0.38 -0.46 0.44 -1.08 0.00 0.00 178.15 177.47 3imq h ASP 19 N 0.87 0.65 -0.48 2.19 3.32 -1.20 -0.83 116.42 120.94 3imq h ASP 19 Ca 0.16 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 3imq h ASP 19 Cb 0.48 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3imq h ASP 19 CO 0.02 1.01 0.17 -0.61 -1.72 0.00 0.00 179.24 178.11 3imq h GLN 20 N 0.48 0.73 0.02 3.56 5.75 -1.16 -0.92 115.11 123.57 3imq h GLN 20 Ca 0.03 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3imq h GLN 20 Cb 0.98 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.42 3imq h GLN 20 CO 0.09 0.67 -0.01 0.00 -2.65 0.00 0.00 178.83 176.93 3imq h ALA 21 N 1.02 -0.03 -0.25 3.38 0.00 -0.99 -1.45 119.26 120.94 3imq h ALA 21 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3imq h ALA 21 Cb 0.23 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3imq h ALA 21 CO -0.01 -0.48 0.05 1.15 0.00 0.00 0.00 179.25 179.96 3imq h THR 22 N -0.10 0.89 -0.75 0.00 2.02 -1.13 -1.39 112.91 112.45 3imq h THR 22 Ca -0.00 -0.05 0.08 0.00 0.77 0.00 0.00 66.41 67.20 3imq h THR 22 Cb 0.09 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.16 3imq h THR 22 CO 0.01 0.03 0.41 0.00 0.37 0.00 0.00 175.52 176.34 3imq h ALA 23 N 1.18 1.03 -0.24 6.16 0.00 -0.95 -0.22 119.26 126.23 3imq h ALA 23 Ca 0.11 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3imq h ALA 23 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3imq h ALA 23 CO -0.15 0.06 -0.31 0.93 0.00 0.00 0.00 179.25 179.78 3imq h GLU 24 N 0.72 0.49 0.07 0.00 5.08 -0.74 -0.73 114.58 119.47 3imq h GLU 24 Ca 0.35 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3imq h GLU 24 Cb 0.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3imq h GLU 24 CO -0.23 0.74 -0.03 0.82 -1.00 0.00 0.00 179.01 179.32 3imq h ILE 25 N 0.42 1.15 -0.68 3.13 2.04 -0.59 -0.64 117.51 122.34 3imq h ILE 25 Ca 0.05 -0.76 0.11 0.00 1.00 0.00 0.00 64.86 65.26 3imq h ILE 25 Cb 0.75 1.64 -0.08 0.00 -0.74 0.00 0.00 36.82 38.40 3imq h ILE 25 CO 0.06 0.19 0.28 0.58 0.00 0.00 0.00 178.15 179.26 3imq h VAL 26 N -0.43 0.75 -0.61 1.67 2.07 -0.92 -0.47 116.25 118.31 3imq h VAL 26 Ca -0.01 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 3imq h VAL 26 Cb 0.38 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3imq h VAL 26 CO 0.02 0.09 0.08 -0.08 0.02 0.00 0.00 177.57 177.69 3imq h GLU 27 N 0.47 1.01 -0.47 1.57 4.81 -1.03 -1.25 114.58 119.69 3imq h GLU 27 Ca 0.35 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3imq h GLU 27 Cb 0.46 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3imq h GLU 27 CO -0.33 0.94 0.21 1.15 -0.73 0.00 0.00 179.01 180.25 3imq h THR 28 N 0.95 1.20 0.13 0.32 2.02 0.13 0.64 112.91 118.29 3imq h THR 28 Ca 0.19 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 66.80 3imq h THR 28 Cb 0.43 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3imq h THR 28 CO 0.01 0.22 -0.20 0.00 0.37 0.00 0.00 175.52 175.92 3imq h ALA 29 N 1.05 -0.35 -0.39 6.16 0.00 -0.87 -2.74 119.26 122.12 3imq h ALA 29 Ca 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3imq h ALA 29 Cb 0.15 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3imq h ALA 29 CO -0.02 -0.73 -0.10 0.87 0.00 0.00 0.00 179.25 179.27 3imq h LYS 30 N -0.39 0.68 0.00 0.00 1.57 -0.97 -1.12 116.57 116.33 3imq h LYS 30 Ca 0.02 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 3imq h LYS 30 Cb 0.40 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3imq h LYS 30 CO -0.10 0.76 -0.22 -0.09 -0.57 0.00 0.00 179.45 179.23 3imq h ARG 31 N 0.62 0.00 -0.44 3.15 2.43 -0.83 -3.21 114.38 116.10 3imq h ARG 31 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3imq h ARG 31 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3imq h ARG 31 CO 0.03 0.22 0.00 0.25 -1.51 0.00 0.00 179.97 178.96 3imq n THR 32 N -3.66 2.39 -0.67 0.20 -2.24 -1.00 -4.92 114.28 104.38 3imq n THR 32 Ca -0.01 -1.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.19 3imq n THR 32 Cb 0.35 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 3imq n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3imq n GLY 33 N 0.18 0.66 3.99 3.38 0.00 -1.20 -4.43 105.19 107.76 3imq n GLY 33 Ca 0.24 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3imq n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imq s ALA 34 N -2.00 4.54 0.39 4.61 0.00 -0.46 -4.82 121.76 124.02 3imq s ALA 34 Ca 0.00 -1.86 0.07 0.00 0.00 0.00 0.00 51.96 50.16 3imq s ALA 34 Cb 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 23.12 21.68 3imq s ALA 34 CO 0.00 -0.55 0.01 -0.65 0.00 0.00 0.00 175.76 174.57 3imq s GLN 35 N -4.45 1.88 -0.03 0.00 1.11 -0.32 -4.09 119.66 113.76 3imq s GLN 35 Ca 0.55 -2.05 0.03 0.00 0.01 0.00 0.00 55.36 53.90 3imq s GLN 35 Cb -0.06 -1.50 -0.00 0.00 -1.01 0.00 0.00 33.01 30.44 3imq s GLN 35 CO 0.34 -0.06 -0.12 0.08 0.01 0.00 0.00 175.29 175.54 3imq s VAL 36 N -2.81 1.00 -0.11 1.09 1.01 -1.26 -2.00 120.40 117.32 3imq s VAL 36 Ca 0.35 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 3imq s VAL 36 Cb 0.09 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3imq s VAL 36 CO 0.17 0.30 -0.08 -0.13 0.00 0.00 0.00 175.10 175.36 3imq s ARG 37 N 0.06 3.14 3.31 2.72 1.81 0.34 -4.94 118.95 125.39 3imq s ARG 37 Ca -0.02 -0.58 0.00 0.00 -1.72 0.00 0.00 55.73 53.41 3imq s ARG 37 Cb -0.09 -2.67 0.00 0.00 -0.45 0.00 0.00 34.95 31.74 3imq s ARG 37 CO 0.01 0.44 0.00 0.41 -0.68 0.00 0.00 175.30 175.47 3imq n GLY 38 N 2.90 0.06 3.77 -3.53 0.00 -1.26 -1.56 105.19 105.58 3imq n GLY 38 Ca -0.18 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 3imq n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3imq s PRO 39 N 0.00 2.81 -0.01 1.61 0.04 -1.26 -4.94 135.00 133.25 3imq s PRO 39 Ca 0.00 1.36 0.03 0.00 0.04 0.00 0.00 61.00 62.44 3imq s PRO 39 Cb 0.00 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 3imq s PRO 39 CO 0.00 -1.24 -0.11 0.96 0.04 0.00 0.00 177.00 176.65 3imq s ILE 40 N -2.38 0.92 0.32 0.56 -4.36 -0.25 -4.98 121.20 111.04 3imq s ILE 40 Ca 0.66 -0.48 -0.19 0.00 -0.26 0.00 0.00 60.65 60.38 3imq s ILE 40 Cb -0.20 -0.78 -0.09 0.00 1.25 0.00 0.00 42.46 42.64 3imq s ILE 40 CO 0.42 0.27 0.81 -2.16 0.24 0.00 0.00 174.94 174.51 3imq s PRO 41 N -0.15 4.19 0.12 0.37 0.04 -1.26 -1.31 135.00 137.00 3imq s PRO 41 Ca 0.02 0.91 0.03 0.00 0.04 0.00 0.00 61.00 62.00 3imq s PRO 41 Cb -0.06 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 3imq s PRO 41 CO -0.00 0.19 0.14 -0.51 0.04 0.00 0.00 177.00 176.86 3imq s LEU 42 N -2.66 3.93 -0.09 -3.56 1.43 0.20 -4.96 118.68 112.97 3imq s LEU 42 Ca 0.53 -0.01 -0.37 0.00 -1.03 0.00 0.00 54.13 53.25 3imq s LEU 42 Cb -0.13 -2.56 -0.15 0.00 0.03 0.00 0.00 46.19 43.38 3imq s LEU 42 CO 0.18 0.11 1.64 -2.65 0.23 0.00 0.00 176.35 175.87 3imq n PRO 43 N -0.02 1.46 -0.38 1.29 -0.02 -1.26 -4.53 135.00 131.54 3imq n PRO 43 Ca -0.08 0.53 -0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3imq n PRO 43 Cb 0.53 -2.25 0.13 0.00 -0.02 0.00 0.00 33.50 31.90 3imq n PRO 43 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3imq h THR 44 N 4.58 1.19 0.00 3.45 1.35 -1.96 -3.47 112.91 118.06 3imq h THR 44 Ca -0.47 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3imq h THR 44 Cb 1.31 -0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3imq h THR 44 CO 0.90 0.24 0.00 0.54 -0.25 0.00 0.00 175.52 176.95 3imq n ARG 45 N -4.43 0.00 0.00 4.72 1.74 -1.26 -4.40 116.66 113.03 3imq n ARG 45 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3imq n ARG 45 Cb 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.52 3imq n ARG 45 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3imq n SER 46 N 1.48 0.00 -1.10 0.55 3.41 -1.26 -5.00 113.62 111.70 3imq n SER 46 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 3imq n SER 46 Cb 0.00 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.20 3imq n SER 46 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3imq n ARG 47 N 0.00 2.42 -3.32 4.33 1.85 -1.26 -4.94 116.66 115.74 3imq n ARG 47 Ca 0.00 -2.16 -0.38 0.00 -1.00 0.00 0.00 57.85 54.31 3imq n ARG 47 Cb 0.00 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.85 3imq n ARG 47 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3imq s THR 48 N -1.46 4.90 0.00 8.89 2.01 -1.26 -4.64 115.64 124.07 3imq s THR 48 Ca 0.39 1.10 -0.07 0.00 0.31 0.00 0.00 61.69 63.42 3imq s THR 48 Cb 0.22 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 3imq s THR 48 CO 0.31 0.51 0.26 -1.00 -0.69 0.00 0.00 174.62 174.01 3imq s HIS 49 N -0.73 3.58 -0.02 4.92 3.76 0.13 -4.61 115.29 122.33 3imq s HIS 49 Ca 0.28 0.57 0.02 0.00 -0.15 0.00 0.00 55.06 55.78 3imq s HIS 49 Cb -0.18 -1.98 -0.00 0.00 1.11 0.00 0.00 32.58 31.52 3imq s HIS 49 CO 0.16 0.62 -0.08 -0.51 -0.85 0.00 0.00 174.74 174.08 3imq s LEU 50 N -1.72 1.87 -0.02 0.89 1.43 -1.26 -1.93 118.68 117.94 3imq s LEU 50 Ca 0.27 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 3imq s LEU 50 Cb -0.13 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.62 3imq s LEU 50 CO 0.16 0.08 -0.07 -0.13 0.23 0.00 0.00 176.35 176.61 3imq s ARG 51 N 0.04 0.77 -0.08 1.70 1.81 -0.75 -0.63 118.95 121.80 3imq s ARG 51 Ca -0.00 -0.23 0.01 0.00 -1.72 0.00 0.00 55.73 53.79 3imq s ARG 51 Cb -0.06 -0.74 -0.02 0.00 -0.45 0.00 0.00 34.95 33.68 3imq s ARG 51 CO 0.00 0.08 -0.11 -0.51 -0.68 0.00 0.00 175.30 174.08 3imq s LEU 52 N 0.24 2.89 -0.02 2.53 1.43 -0.42 -0.55 118.68 124.77 3imq s LEU 52 Ca -0.03 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 3imq s LEU 52 Cb -0.08 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.52 3imq s LEU 52 CO 0.00 0.29 0.07 0.54 0.23 0.00 0.00 176.35 177.48 3imq s VAL 53 N -0.39 0.03 -0.04 -1.59 0.11 -0.62 -1.09 120.40 116.81 3imq s VAL 53 Ca 0.05 -0.21 0.06 0.00 -2.93 0.00 0.00 61.98 58.95 3imq s VAL 53 Cb -0.12 -0.18 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 3imq s VAL 53 CO 0.02 -0.12 -0.21 -1.81 -3.33 0.00 0.00 175.10 169.66 3imq s ASP 54 N -0.34 3.45 -0.26 3.54 1.11 -0.60 -0.62 116.67 122.94 3imq s ASP 54 Ca -0.04 -0.37 -0.07 0.00 0.18 0.00 0.00 52.55 52.25 3imq s ASP 54 Cb -0.03 -0.65 -0.01 0.00 1.07 0.00 0.00 42.92 43.30 3imq s ASP 54 CO 0.00 0.31 0.06 -0.63 1.18 0.00 0.00 175.17 176.09 3imq s ILE 55 N -0.54 4.08 0.33 0.77 1.01 0.80 -0.51 121.20 127.13 3imq s ILE 55 Ca 0.08 -0.39 0.08 0.00 0.00 0.00 0.00 60.65 60.41 3imq s ILE 55 Cb -0.11 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 3imq s ILE 55 CO 0.01 0.26 0.21 0.68 0.00 0.00 0.00 174.94 176.09 3imq s VAL 56 N 1.56 3.38 -1.47 2.92 -7.23 -0.85 -0.43 120.40 118.28 3imq s VAL 56 Ca 0.05 -1.54 -0.11 0.00 -1.81 0.00 0.00 61.98 58.58 3imq s VAL 56 Cb -0.16 -3.10 0.06 0.00 0.56 0.00 0.00 36.38 33.75 3imq s VAL 56 CO 0.02 -0.20 0.86 -0.62 -0.31 0.00 0.00 175.10 174.86 3imq n GLU 57 N -1.24 -5.41 -1.78 4.82 1.02 -1.24 -1.18 120.64 115.63 3imq n GLU 57 Ca -0.03 0.66 -0.34 0.00 -0.02 0.00 0.00 57.16 57.43 3imq n GLU 57 Cb 0.60 -5.54 0.05 0.00 -0.02 0.00 0.00 31.44 26.53 3imq n GLU 57 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3imq s PRO 58 N -6.32 2.74 0.41 3.49 0.04 -1.26 -4.22 135.00 129.88 3imq s PRO 58 Ca 0.55 1.56 0.08 0.00 0.04 0.00 0.00 61.00 63.23 3imq s PRO 58 Cb -0.27 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 3imq s PRO 58 CO 0.68 -1.33 0.37 0.95 0.04 0.00 0.00 177.00 177.71 3imq s THR 59 N -2.09 2.76 0.33 1.26 -4.23 -1.26 -4.97 115.64 107.44 3imq s THR 59 Ca 0.71 -1.35 0.05 0.00 -1.18 0.00 0.00 61.69 59.93 3imq s THR 59 Cb -0.24 -3.02 0.30 0.00 1.34 0.00 0.00 72.50 70.88 3imq s THR 59 CO 0.39 -0.02 1.87 -0.33 -0.54 0.00 0.00 174.62 176.00 3imq h GLU 60 N 1.05 0.81 -0.39 3.99 4.39 -1.97 -1.28 114.58 121.18 3imq h GLU 60 Ca -0.42 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.19 3imq h GLU 60 Cb 1.26 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 3imq h GLU 60 CO 0.57 0.53 0.04 -0.22 -1.16 0.00 0.00 179.01 178.78 3imq h LYS 61 N 0.83 0.60 -0.31 2.33 1.63 -1.95 -1.22 116.57 118.49 3imq h LYS 61 Ca 0.44 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 60.11 3imq h LYS 61 Cb 0.54 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 3imq h LYS 61 CO -0.20 0.59 0.15 1.15 -3.45 0.00 0.00 179.45 177.69 3imq h THR 62 N 0.57 1.15 -0.22 1.00 2.02 -1.46 0.65 112.91 116.62 3imq h THR 62 Ca 0.13 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 3imq h THR 62 Cb 0.30 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3imq h THR 62 CO 0.01 0.16 0.04 0.58 0.37 0.00 0.00 175.52 176.68 3imq h VAL 63 N 0.36 1.22 -0.23 3.16 2.07 -1.08 -1.65 116.25 120.10 3imq h VAL 63 Ca 0.11 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 66.96 3imq h VAL 63 Cb 0.11 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3imq h VAL 63 CO -0.01 0.23 -0.41 0.44 0.02 0.00 0.00 177.57 177.84 3imq h ASP 64 N 0.17 -1.30 -0.25 0.57 3.32 -1.12 -2.06 116.42 115.75 3imq h ASP 64 Ca 0.07 0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3imq h ASP 64 Cb 0.30 0.55 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3imq h ASP 64 CO 0.00 -0.40 0.15 0.00 -1.72 0.00 0.00 179.24 177.27 3imq h ALA 65 N 0.27 0.32 -0.33 3.45 0.00 -0.70 -2.15 119.26 120.12 3imq h ALA 65 Ca 0.10 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3imq h ALA 65 Cb 0.60 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 3imq h ALA 65 CO -0.45 -0.18 -0.24 -0.07 0.00 0.00 0.00 179.25 178.31 3imq h LEU 66 N 0.31 -0.79 -0.92 0.00 3.38 -1.15 -0.70 115.31 115.43 3imq h LEU 66 Ca 0.09 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3imq h LEU 66 Cb 0.02 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3imq h LEU 66 CO -0.02 -0.27 0.00 0.23 0.09 0.00 0.00 178.44 178.47 3imq n MET 67 N -5.39 0.16 0.00 1.13 2.81 -0.79 -1.46 117.12 113.59 3imq n MET 67 Ca 0.01 0.50 0.12 0.00 -1.81 0.00 0.00 57.70 56.51 3imq n MET 67 Cb 0.30 -1.88 0.13 0.00 -0.71 0.00 0.00 33.22 31.05 3imq n MET 67 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3imq n ARG 68 N -2.20 1.17 -2.86 0.03 1.74 -0.35 -4.95 116.66 109.24 3imq n ARG 68 Ca 0.01 -0.90 -0.42 0.00 -0.77 0.00 0.00 57.85 55.77 3imq n ARG 68 Cb 0.15 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.07 3imq n ARG 68 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3imq s LEU 69 N -2.45 4.05 -0.21 0.55 2.96 -0.54 -5.01 118.68 118.03 3imq s LEU 69 Ca 0.21 0.64 -0.29 0.00 -0.22 0.00 0.00 54.13 54.48 3imq s LEU 69 Cb 0.19 -3.19 0.00 0.00 0.50 0.00 0.00 46.19 43.69 3imq s LEU 69 CO 0.54 -0.75 1.01 -1.81 -1.32 0.00 0.00 176.35 174.03 3imq s ASP 70 N 1.74 7.10 0.06 3.68 1.01 -1.26 -5.05 116.67 123.95 3imq s ASP 70 Ca 0.36 1.38 -0.02 0.00 0.71 0.00 0.00 52.55 54.97 3imq s ASP 70 Cb -0.13 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 3imq s ASP 70 CO 0.15 -0.61 0.24 -0.76 0.21 0.00 0.00 175.17 174.41 3imq s LEU 71 N 2.92 4.35 0.58 1.23 1.43 -1.26 -5.06 118.68 122.87 3imq s LEU 71 Ca 0.44 0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 53.72 3imq s LEU 71 Cb -0.16 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 3imq s LEU 71 CO 0.09 0.18 1.30 0.00 0.23 0.00 0.00 176.35 178.14 3imq n ALA 72 N 0.49 1.29 -1.61 4.21 0.00 -1.26 -4.89 120.51 118.74 3imq n ALA 72 Ca -0.06 0.08 -0.48 0.00 0.00 0.00 0.00 53.44 52.98 3imq n ALA 72 Cb 0.52 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 3imq n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3imq n ALA 73 N -1.37 -0.11 -0.36 0.00 0.00 -1.26 -1.93 120.51 115.49 3imq n ALA 73 Ca 0.12 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3imq n ALA 73 Cb 0.46 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3imq n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3imq n GLY 74 N 2.14 0.82 3.15 0.00 0.00 -1.26 -5.05 105.19 104.99 3imq n GLY 74 Ca 0.14 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3imq n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3imq s VAL 75 N -2.00 1.95 -0.06 1.61 1.01 -0.81 -4.23 120.40 117.87 3imq s VAL 75 Ca 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 3imq s VAL 75 Cb 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3imq s VAL 75 CO 0.00 0.53 0.16 -1.81 0.00 0.00 0.00 175.10 173.98 3imq s ASP 76 N 0.85 6.36 0.03 3.32 1.01 0.00 -4.85 116.67 123.41 3imq s ASP 76 Ca -0.07 0.40 0.03 0.00 0.71 0.00 0.00 52.55 53.62 3imq s ASP 76 Cb -0.15 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 3imq s ASP 76 CO -0.02 0.33 -0.09 0.54 0.21 0.00 0.00 175.17 176.13 3imq s VAL 77 N -1.19 0.71 -0.03 -1.27 0.11 -1.26 -1.01 120.40 116.47 3imq s VAL 77 Ca 0.22 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 3imq s VAL 77 Cb -0.12 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 3imq s VAL 77 CO 0.12 -0.15 -0.04 -1.10 -3.33 0.00 0.00 175.10 170.60 3imq s GLN 78 N -1.15 0.60 -0.07 1.54 -0.21 -0.26 -4.98 119.66 115.13 3imq s GLN 78 Ca -0.04 -0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.24 3imq s GLN 78 Cb -0.08 -0.64 0.02 0.00 1.00 0.00 0.00 33.01 33.32 3imq s GLN 78 CO 0.01 -0.02 -0.05 0.42 -2.12 0.00 0.00 175.29 173.52 3imq s ILE 79 N 0.59 0.70 -0.05 1.08 1.01 -1.26 -0.81 121.20 122.45 3imq s ILE 79 Ca -0.07 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.49 3imq s ILE 79 Cb -0.10 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 3imq s ILE 79 CO -0.00 0.29 -0.21 -0.94 0.00 0.00 0.00 174.94 174.08 3imq s SER 80 N 1.38 2.60 -0.12 3.58 1.04 -0.10 -5.00 113.70 117.07 3imq s SER 80 Ca -0.03 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 55.97 3imq s SER 80 Cb -0.13 -0.76 -0.01 0.00 0.10 0.00 0.00 66.02 65.22 3imq s SER 80 CO -0.03 0.19 -0.15 -0.76 0.98 0.00 0.00 173.24 173.47 3imq s LEU 81 N -0.02 2.63 0.00 2.42 1.02 -1.26 -1.09 118.68 122.38 3imq s LEU 81 Ca -0.05 -0.35 0.00 0.00 0.02 0.00 0.00 54.13 53.75 3imq s LEU 81 Cb -0.13 -1.58 0.00 0.00 0.02 0.00 0.00 46.19 44.50 3imq s LEU 81 CO 0.03 0.18 0.00 0.61 0.02 0.00 0.00 176.35 177.19