#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imq n PRO -3 N 0.00 0.09 -0.22 1.61 -0.04 -1.26 -3.88 135.00 131.31 3imq n PRO -3 Ca 0.00 -0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 3imq n PRO -3 Cb 0.00 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.08 3imq n PRO -3 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3imq h LEU -2 N 0.00 -0.22 -0.96 1.53 7.12 -2.00 0.14 115.31 120.91 3imq h LEU -2 Ca 0.00 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.16 3imq h LEU -2 Cb 0.46 0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 3imq h LEU -2 CO 0.00 -0.10 0.00 0.61 -0.13 0.00 0.00 178.44 178.82 3imq n GLY -1 N -1.37 -1.06 1.15 3.75 0.00 -1.25 -1.95 105.19 104.46 3imq n GLY -1 Ca 0.10 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.19 3.35 -4.44 1.61 7.64 0.03 -4.89 113.62 114.73 3imq n SER 0 Ca 0.01 -1.98 -0.42 0.00 1.01 0.00 0.00 58.87 57.49 3imq n SER 0 Cb 0.13 -0.37 -0.11 0.00 -1.01 0.00 0.00 64.21 62.86 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 -1.25 3.00 0.15 1.43 1.00 -0.82 -4.96 119.30 117.83 3imq s MET 1 Ca 0.42 -0.99 -0.19 0.00 0.00 0.00 0.00 55.69 54.93 3imq s MET 1 Cb 0.22 -3.86 0.03 0.00 0.00 0.00 0.00 34.83 31.22 3imq s MET 1 CO 0.30 -0.68 1.69 0.37 0.00 0.00 0.00 175.02 176.69 3imq h GLN 2 N 8.54 0.01 -5.22 2.03 5.75 -1.90 -3.36 115.11 120.95 3imq h GLN 2 Ca -0.27 -0.00 -0.65 0.00 -0.15 0.00 0.00 58.65 57.57 3imq h GLN 2 Cb 1.12 -0.00 -0.16 0.00 1.07 0.00 0.00 27.48 29.51 3imq h GLN 2 CO 0.69 0.00 -0.04 1.21 -2.65 0.00 0.00 178.83 178.05 3imq s ASN 3 N -5.21 6.30 -1.51 -0.69 2.47 -1.26 -4.97 114.94 110.06 3imq s ASN 3 Ca -0.14 -0.17 -0.12 0.00 0.42 0.00 0.00 52.86 52.85 3imq s ASN 3 Cb 0.12 -2.27 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 3imq s ASN 3 CO 0.70 -0.55 2.49 0.00 -3.72 0.00 0.00 177.10 176.02 3imq n GLN 4 N 5.82 3.26 -3.83 0.43 1.13 -1.26 -3.93 117.38 119.01 3imq n GLN 4 Ca -0.04 -2.52 -0.13 0.00 -1.94 0.00 0.00 57.00 52.37 3imq n GLN 4 Cb 0.48 -3.07 -0.14 0.00 0.11 0.00 0.00 30.24 27.62 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 2.55 0.05 -0.29 -1.09 3.00 -1.26 -3.64 118.95 118.25 3imq s ARG 5 Ca 0.55 0.13 -0.00 0.00 -1.00 0.00 0.00 55.73 55.41 3imq s ARG 5 Cb 0.15 -0.04 0.05 0.00 0.00 0.00 0.00 34.95 35.12 3imq s ARG 5 CO -0.07 -0.05 -0.02 0.42 0.00 0.00 0.00 175.30 175.57 3imq s ILE 6 N 0.35 2.76 -0.15 4.11 1.01 -0.05 -1.97 121.20 127.26 3imq s ILE 6 Ca -0.03 -1.49 -0.13 0.00 0.00 0.00 0.00 60.65 59.01 3imq s ILE 6 Cb -0.04 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 3imq s ILE 6 CO -0.01 -0.11 0.26 -0.60 0.00 0.00 0.00 174.94 174.48 3imq s ARG 7 N 1.20 4.13 -0.13 2.79 3.52 0.10 -0.94 118.95 129.62 3imq s ARG 7 Ca -0.06 0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 3imq s ARG 7 Cb -0.20 -3.38 0.02 0.00 -1.56 0.00 0.00 34.95 29.83 3imq s ARG 7 CO -0.02 0.34 -0.12 0.42 -0.81 0.00 0.00 175.30 175.11 3imq s ILE 8 N 0.16 1.36 -0.30 4.11 1.01 0.30 0.52 121.20 128.35 3imq s ILE 8 Ca 0.16 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 3imq s ILE 8 Cb -0.13 -1.31 -0.00 0.00 0.01 0.00 0.00 42.46 41.03 3imq s ILE 8 CO 0.04 0.42 0.12 -0.60 0.00 0.00 0.00 174.94 174.92 3imq s ARG 9 N 1.56 3.25 -0.04 2.79 3.52 0.64 -1.73 118.95 128.95 3imq s ARG 9 Ca 0.05 -0.76 -0.03 0.00 -0.13 0.00 0.00 55.73 54.86 3imq s ARG 9 Cb -0.13 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 3imq s ARG 9 CO -0.10 -0.41 0.13 -0.51 -0.81 0.00 0.00 175.30 173.60 3imq s LEU 10 N 1.57 4.16 -0.01 -0.88 1.43 0.75 -1.29 118.68 124.41 3imq s LEU 10 Ca 0.04 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 3imq s LEU 10 Cb -0.17 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.73 3imq s LEU 10 CO 0.05 0.31 -0.02 -0.75 0.23 0.00 0.00 176.35 176.16 3imq s LYS 11 N -1.59 0.26 -0.17 1.70 2.20 0.12 -1.93 119.74 120.33 3imq s LYS 11 Ca 0.22 -0.04 -0.28 0.00 -0.36 0.00 0.00 55.97 55.51 3imq s LYS 11 Cb -0.12 -0.31 0.08 0.00 -1.51 0.00 0.00 37.83 35.96 3imq s LYS 11 CO 0.13 -0.00 0.75 0.00 -0.36 0.00 0.00 175.35 175.87 3imq s ALA 12 N 0.29 -1.81 -0.54 3.13 0.00 -0.85 0.12 121.76 122.10 3imq s ALA 12 Ca -0.03 1.67 0.24 0.00 0.00 0.00 0.00 51.96 53.85 3imq s ALA 12 Cb -0.05 -0.65 0.53 0.00 0.00 0.00 0.00 23.12 22.94 3imq s ALA 12 CO -0.01 -0.34 1.68 0.74 0.00 0.00 0.00 175.76 177.83 3imq h PHE 13 N 3.86 0.00 -3.21 0.00 -1.00 -1.87 0.20 116.94 114.92 3imq h PHE 13 Ca -0.27 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 59.96 3imq h PHE 13 Cb 1.15 0.00 -0.36 0.00 3.61 0.00 0.00 35.95 40.35 3imq h PHE 13 CO 0.37 0.00 -0.81 0.34 -1.61 0.00 0.00 178.31 176.60 3imq s ASP 14 N -5.56 2.26 0.37 2.17 2.15 -1.26 -4.75 116.67 112.05 3imq s ASP 14 Ca 0.08 -0.36 0.14 0.00 0.43 0.00 0.00 52.55 52.85 3imq s ASP 14 Cb 0.08 -0.94 0.73 0.00 -0.30 0.00 0.00 42.92 42.49 3imq s ASP 14 CO 0.64 -0.07 1.81 1.12 -0.17 0.00 0.00 175.17 178.51 3imq h HIS 15 N 7.88 0.00 -0.97 -5.34 2.07 -1.97 -3.06 115.15 113.76 3imq h HIS 15 Ca -0.32 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.22 3imq h HIS 15 Cb 1.15 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.07 3imq h HIS 15 CO 0.48 0.38 0.64 0.00 -3.07 0.00 0.00 177.93 176.35 3imq h ARG 16 N 0.00 1.24 0.00 5.12 3.08 -2.00 -1.25 114.38 120.57 3imq h ARG 16 Ca -0.00 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 59.81 3imq h ARG 16 Cb 0.70 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3imq h ARG 16 CO 0.05 0.82 -0.75 -0.07 -1.07 0.00 0.00 179.97 178.95 3imq h LEU 17 N 1.27 0.00 -0.28 3.04 3.38 -1.96 -2.76 115.31 118.00 3imq h LEU 17 Ca 0.37 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.14 3imq h LEU 17 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3imq h LEU 17 CO -0.09 0.75 -0.70 -0.29 0.09 0.00 0.00 178.44 178.20 3imq h ILE 18 N 0.00 1.30 -0.29 1.22 2.10 -1.41 0.18 117.51 120.62 3imq h ILE 18 Ca -0.01 -1.94 -0.14 0.00 1.08 0.00 0.00 64.86 63.86 3imq h ILE 18 Cb 1.44 1.91 -0.01 0.00 -1.09 0.00 0.00 36.82 39.07 3imq h ILE 18 CO 0.10 0.61 -0.38 0.44 -1.08 0.00 0.00 178.15 177.84 3imq h ASP 19 N 0.50 0.71 -0.07 2.19 3.32 -1.31 0.11 116.42 121.87 3imq h ASP 19 Ca -0.03 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 3imq h ASP 19 Cb 1.30 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 3imq h ASP 19 CO 0.14 1.01 0.02 -0.61 -1.72 0.00 0.00 179.24 178.08 3imq h GLN 20 N 0.55 0.11 -0.28 3.56 4.15 -1.39 -1.10 115.11 120.71 3imq h GLN 20 Ca 0.05 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.49 3imq h GLN 20 Cb 0.90 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.53 3imq h GLN 20 CO 0.08 0.28 0.00 0.00 -1.93 0.00 0.00 178.83 177.26 3imq h ALA 21 N 0.82 0.25 -0.16 3.38 0.00 -0.52 -0.66 119.26 122.37 3imq h ALA 21 Ca 0.02 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3imq h ALA 21 Cb 0.22 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3imq h ALA 21 CO -0.00 -0.41 -0.06 1.15 0.00 0.00 0.00 179.25 179.93 3imq h THR 22 N 0.09 0.79 -0.11 0.00 2.02 -0.91 -1.18 112.91 113.62 3imq h THR 22 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 3imq h THR 22 Cb 0.17 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3imq h THR 22 CO -0.22 0.00 0.07 0.00 0.37 0.00 0.00 175.52 175.74 3imq h ALA 23 N 1.12 2.01 -0.18 6.16 0.00 -0.82 0.38 119.26 127.92 3imq h ALA 23 Ca 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3imq h ALA 23 Cb 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3imq h ALA 23 CO -0.18 -0.03 -0.20 0.93 0.00 0.00 0.00 179.25 179.76 3imq h GLU 24 N 0.07 0.46 -0.69 0.00 5.08 -0.32 0.11 114.58 119.29 3imq h GLU 24 Ca 0.05 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3imq h GLU 24 Cb 0.10 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3imq h GLU 24 CO -0.01 0.83 0.42 0.82 -1.00 0.00 0.00 179.01 180.07 3imq h ILE 25 N 0.12 1.20 0.26 3.13 2.04 -0.64 -0.47 117.51 123.14 3imq h ILE 25 Ca 0.03 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3imq h ILE 25 Cb 0.75 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3imq h ILE 25 CO 0.05 0.20 -0.12 0.58 0.00 0.00 0.00 178.15 178.86 3imq h VAL 26 N 0.93 0.76 -0.27 1.67 2.07 -0.87 -1.74 116.25 118.79 3imq h VAL 26 Ca 0.25 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.77 3imq h VAL 26 Cb -0.04 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3imq h VAL 26 CO -0.05 0.01 0.02 -0.08 0.02 0.00 0.00 177.57 177.49 3imq h GLU 27 N -0.36 0.10 -0.58 1.57 4.57 -0.67 -2.32 114.58 116.89 3imq h GLU 27 Ca -0.04 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.26 3imq h GLU 27 Cb 0.28 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.75 3imq h GLU 27 CO 0.06 0.07 -0.01 1.15 -1.18 0.00 0.00 179.01 179.10 3imq h THR 28 N 0.11 0.52 0.59 0.32 2.02 -0.99 -0.16 112.91 115.32 3imq h THR 28 Ca 0.13 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 3imq h THR 28 Cb 0.15 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3imq h THR 28 CO -0.20 0.02 -0.28 0.00 0.37 0.00 0.00 175.52 175.43 3imq h ALA 29 N 1.53 -0.79 0.00 6.16 0.00 -0.79 -2.38 119.26 122.99 3imq h ALA 29 Ca 0.30 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3imq h ALA 29 Cb 0.48 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3imq h ALA 29 CO -0.50 -0.90 -0.42 0.87 0.00 0.00 0.00 179.25 178.29 3imq h LYS 30 N -0.89 0.00 -0.89 0.00 1.57 -1.31 -1.21 116.57 113.84 3imq h LYS 30 Ca -0.08 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3imq h LYS 30 Cb 0.64 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 3imq h LYS 30 CO 0.13 0.42 0.59 -0.09 -0.57 0.00 0.00 179.45 179.93 3imq h ARG 31 N 0.00 1.16 -0.66 3.15 2.43 -0.99 -3.13 114.38 116.34 3imq h ARG 31 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3imq h ARG 31 Cb 0.86 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3imq h ARG 31 CO 0.05 0.76 0.00 0.25 -1.51 0.00 0.00 179.97 179.53 3imq n THR 32 N -4.47 2.12 -0.83 0.20 -2.24 -0.90 -4.90 114.28 103.25 3imq n THR 32 Ca 0.10 -1.09 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 3imq n THR 32 Cb 0.02 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 0.55 0.71 3.98 3.38 0.00 -1.15 -4.33 105.19 108.33 3imq n GLY 33 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.63 4.10 0.45 4.61 0.00 -0.51 -4.84 121.76 122.95 3imq s ALA 34 Ca 0.00 -1.42 0.07 0.00 0.00 0.00 0.00 51.96 50.61 3imq s ALA 34 Cb 0.00 -1.92 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 3imq s ALA 34 CO 0.00 -0.54 0.34 -0.65 0.00 0.00 0.00 175.76 174.90 3imq s GLN 35 N -4.59 2.38 0.03 0.00 -1.52 -0.44 -3.66 119.66 111.85 3imq s GLN 35 Ca 0.55 -1.75 0.06 0.00 -1.95 0.00 0.00 55.36 52.27 3imq s GLN 35 Cb -0.10 -2.20 -0.02 0.00 -0.22 0.00 0.00 33.01 30.47 3imq s GLN 35 CO 0.36 -0.29 -0.17 0.08 -0.25 0.00 0.00 175.29 175.02 3imq s VAL 36 N -2.59 1.36 -0.04 1.09 1.01 -1.26 -2.28 120.40 117.68 3imq s VAL 36 Ca 0.43 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.45 3imq s VAL 36 Cb -0.01 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 3imq s VAL 36 CO 0.25 0.16 -0.19 -0.13 0.00 0.00 0.00 175.10 175.19 3imq s ARG 37 N -0.98 1.90 4.38 2.72 0.52 -0.57 -4.95 118.95 121.98 3imq s ARG 37 Ca 0.05 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 3imq s ARG 37 Cb -0.08 -1.65 0.00 0.00 0.52 0.00 0.00 34.95 33.74 3imq s ARG 37 CO 0.01 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.02 3imq n GLY 38 N 3.08 0.97 3.79 -3.53 0.00 -1.26 -2.13 105.19 106.11 3imq n GLY 38 Ca -0.18 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 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 2.82 0.15 1.61 0.04 -1.26 -5.00 135.00 133.37 3imq s PRO 39 Ca 0.00 1.20 0.09 0.00 0.04 0.00 0.00 61.00 62.33 3imq s PRO 39 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3imq s PRO 39 CO 0.00 -1.21 -0.21 0.96 0.04 0.00 0.00 177.00 176.58 3imq s ILE 40 N -2.65 1.98 0.25 0.56 -4.36 -0.09 -4.96 121.20 111.92 3imq s ILE 40 Ca 0.63 -1.83 -0.08 0.00 -0.26 0.00 0.00 60.65 59.10 3imq s ILE 40 Cb -0.17 -1.86 -0.06 0.00 1.25 0.00 0.00 42.46 41.61 3imq s ILE 40 CO 0.47 -0.15 0.55 -2.16 0.24 0.00 0.00 174.94 173.89 3imq s PRO 41 N -2.45 3.74 -0.04 0.37 0.04 -1.26 -1.53 135.00 133.86 3imq s PRO 41 Ca 0.14 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.38 3imq s PRO 41 Cb -0.08 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 3imq s PRO 41 CO 0.07 0.28 -0.06 -0.51 0.04 0.00 0.00 177.00 176.82 3imq s LEU 42 N -3.07 3.23 0.31 -3.56 1.43 -0.85 -4.97 118.68 111.20 3imq s LEU 42 Ca 0.46 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.23 3imq s LEU 42 Cb -0.11 -1.77 -0.10 0.00 0.03 0.00 0.00 46.19 44.24 3imq s LEU 42 CO 0.24 0.33 1.21 -2.84 0.23 0.00 0.00 176.35 175.52 3imq s PRO 43 N -1.08 4.45 0.03 1.29 0.02 -1.26 -4.51 135.00 133.95 3imq s PRO 43 Ca 0.15 2.02 0.05 0.00 0.02 0.00 0.00 61.00 63.23 3imq s PRO 43 Cb -0.11 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 3imq s PRO 43 CO 0.04 -0.03 -0.15 0.95 -0.33 0.00 0.00 177.00 177.49 3imq s THR 44 N -1.17 1.16 0.02 0.99 -4.23 -1.26 -5.02 115.64 106.12 3imq s THR 44 Ca 0.48 -0.95 -0.06 0.00 -1.18 0.00 0.00 61.69 59.98 3imq s THR 44 Cb -0.36 -1.03 -0.29 0.00 1.34 0.00 0.00 72.50 72.16 3imq s THR 44 CO 0.47 0.07 0.92 0.03 -0.54 0.00 0.00 174.62 175.57 3imq h ARG 45 N 5.07 0.31 0.00 3.99 2.47 -1.96 -3.48 114.38 120.78 3imq h ARG 45 Ca -0.38 -0.53 0.00 0.00 -1.26 0.00 0.00 59.98 57.81 3imq h ARG 45 Cb 1.17 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 3imq h ARG 45 CO 0.45 1.21 0.00 -1.13 0.56 0.00 0.00 179.97 181.05 3imq n SER 46 N -3.52 -0.02 -0.74 7.04 3.41 -1.26 -4.98 113.62 113.55 3imq n SER 46 Ca -0.16 -0.05 0.13 0.00 -0.26 0.00 0.00 58.87 58.53 3imq n SER 46 Cb 1.05 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 65.23 3imq n SER 46 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3imq n ARG 47 N -0.07 1.94 -2.96 4.33 1.74 -1.26 -4.96 116.66 115.42 3imq n ARG 47 Ca 0.00 -1.48 -0.40 0.00 -0.77 0.00 0.00 57.85 55.20 3imq n ARG 47 Cb 0.00 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 3imq n ARG 47 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3imq s THR 48 N -2.08 4.98 0.38 0.55 2.01 -1.26 -4.79 115.64 115.44 3imq s THR 48 Ca 0.30 1.58 -0.13 0.00 0.31 0.00 0.00 61.69 63.75 3imq s THR 48 Cb 0.20 -4.10 -0.08 0.00 0.01 0.00 0.00 72.50 68.53 3imq s THR 48 CO 0.35 0.19 0.77 -1.00 -0.69 0.00 0.00 174.62 174.24 3imq s HIS 49 N 1.14 3.43 -0.06 4.92 3.76 0.69 -4.74 115.29 124.42 3imq s HIS 49 Ca 0.40 1.14 -0.03 0.00 -0.15 0.00 0.00 55.06 56.42 3imq s HIS 49 Cb -0.18 -2.50 0.04 0.00 1.11 0.00 0.00 32.58 31.05 3imq s HIS 49 CO 0.18 -0.04 0.14 -0.51 -0.85 0.00 0.00 174.74 173.66 3imq s LEU 50 N -3.51 0.67 0.09 0.89 1.43 -1.26 -2.01 118.68 114.98 3imq s LEU 50 Ca 0.53 0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.98 3imq s LEU 50 Cb -0.10 0.32 -0.03 0.00 0.03 0.00 0.00 46.19 46.41 3imq s LEU 50 CO 0.26 -0.16 -0.18 -0.13 0.23 0.00 0.00 176.35 176.37 3imq s ARG 51 N 1.27 1.02 -0.05 1.70 1.81 -0.81 -2.00 118.95 121.88 3imq s ARG 51 Ca -0.08 -1.07 0.02 0.00 -1.72 0.00 0.00 55.73 52.87 3imq s ARG 51 Cb -0.12 -1.18 0.02 0.00 -0.45 0.00 0.00 34.95 33.21 3imq s ARG 51 CO -0.06 0.27 -0.09 -1.17 -0.68 0.00 0.00 175.30 173.58 3imq s LEU 52 N -1.81 1.54 -0.05 2.53 0.20 -0.59 -0.18 118.68 120.32 3imq s LEU 52 Ca 0.03 -0.21 -0.03 0.00 0.69 0.00 0.00 54.13 54.61 3imq s LEU 52 Cb -0.10 -0.63 0.03 0.00 -0.43 0.00 0.00 46.19 45.06 3imq s LEU 52 CO 0.03 0.00 0.12 0.54 -0.29 0.00 0.00 176.35 176.76 3imq s VAL 53 N 0.70 -0.03 -0.11 1.68 0.11 -0.70 -0.91 120.40 121.14 3imq s VAL 53 Ca -0.12 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.00 3imq s VAL 53 Cb -0.14 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 3imq s VAL 53 CO 0.02 0.04 0.01 -1.81 -3.33 0.00 0.00 175.10 170.03 3imq s ASP 54 N 0.65 5.26 -0.23 3.54 1.01 -0.90 -0.54 116.67 125.45 3imq s ASP 54 Ca -0.05 0.11 -0.03 0.00 0.71 0.00 0.00 52.55 53.29 3imq s ASP 54 Cb -0.07 -1.58 0.01 0.00 1.01 0.00 0.00 42.92 42.29 3imq s ASP 54 CO -0.03 0.33 -0.05 -0.63 0.21 0.00 0.00 175.17 175.01 3imq s ILE 55 N -0.61 3.19 0.36 0.77 1.01 -0.12 -1.51 121.20 124.30 3imq s ILE 55 Ca 0.10 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 60.13 3imq s ILE 55 Cb -0.12 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 3imq s ILE 55 CO 0.02 0.33 0.08 0.68 0.00 0.00 0.00 174.94 176.04 3imq s VAL 56 N 1.42 2.62 -1.35 2.92 -7.23 -0.97 -0.87 120.40 116.95 3imq s VAL 56 Ca 0.04 -1.85 -0.08 0.00 -1.81 0.00 0.00 61.98 58.28 3imq s VAL 56 Cb -0.15 -2.89 0.05 0.00 0.56 0.00 0.00 36.38 33.95 3imq s VAL 56 CO -0.04 -0.15 0.51 -0.62 -0.31 0.00 0.00 175.10 174.49 3imq n GLU 57 N -1.06 -3.77 -1.69 4.82 1.02 -1.24 -1.33 120.64 117.39 3imq n GLU 57 Ca -0.03 0.59 -0.33 0.00 -0.02 0.00 0.00 57.16 57.37 3imq n GLU 57 Cb 0.63 -5.34 0.05 0.00 -0.02 0.00 0.00 31.44 26.76 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 -5.90 2.76 0.50 3.49 0.04 -1.26 -4.35 135.00 130.28 3imq s PRO 58 Ca 0.36 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.78 3imq s PRO 58 Cb -0.18 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.42 3imq s PRO 58 CO 0.45 -1.27 0.34 0.95 0.04 0.00 0.00 177.00 177.51 3imq s THR 59 N -2.47 1.87 0.20 1.26 -4.23 -1.26 -4.97 115.64 106.05 3imq s THR 59 Ca 0.65 -1.53 -0.08 0.00 -1.18 0.00 0.00 61.69 59.55 3imq s THR 59 Cb -0.19 -2.40 0.12 0.00 1.34 0.00 0.00 72.50 71.36 3imq s THR 59 CO 0.44 0.00 1.72 -0.33 -0.54 0.00 0.00 174.62 175.91 3imq h GLU 60 N 0.93 1.13 -0.81 3.99 3.07 -1.97 -1.26 114.58 119.66 3imq h GLU 60 Ca -0.39 -0.28 0.17 0.00 -0.50 0.00 0.00 59.36 58.36 3imq h GLU 60 Cb 1.29 -0.15 -0.10 0.00 -0.84 0.00 0.00 28.75 28.95 3imq h GLU 60 CO 0.60 1.00 0.34 0.87 -1.40 0.00 0.00 179.01 180.42 3imq h LYS 61 N 1.07 0.43 0.60 2.33 1.57 -1.96 -0.55 116.57 120.07 3imq h LYS 61 Ca 0.22 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3imq h LYS 61 Cb 0.38 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.60 3imq h LYS 61 CO 0.00 0.29 -0.29 1.15 -0.57 0.00 0.00 179.45 180.03 3imq h THR 62 N 0.45 0.38 -0.81 -0.16 2.02 -1.45 -0.31 112.91 113.02 3imq h THR 62 Ca 0.46 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.62 3imq h THR 62 Cb 0.75 0.43 -0.08 0.00 -1.74 0.00 0.00 68.15 67.51 3imq h THR 62 CO -0.44 0.02 0.45 0.58 0.37 0.00 0.00 175.52 176.49 3imq h VAL 63 N -0.89 0.88 -0.27 3.16 2.07 -1.16 -0.94 116.25 119.09 3imq h VAL 63 Ca -0.08 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3imq h VAL 63 Cb 0.65 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3imq h VAL 63 CO 0.14 0.14 0.10 -0.78 0.02 0.00 0.00 177.57 177.18 3imq h ASP 64 N 0.74 0.38 -0.89 0.57 1.82 -1.00 -1.59 116.42 116.45 3imq h ASP 64 Ca 0.40 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.85 3imq h ASP 64 Cb 0.40 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 40.26 3imq h ASP 64 CO -0.26 0.46 0.54 0.00 -1.61 0.00 0.00 179.24 178.37 3imq h ALA 65 N 0.94 1.28 -0.33 -0.78 0.00 -0.62 -2.20 119.26 117.54 3imq h ALA 65 Ca 0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3imq h ALA 65 Cb 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3imq h ALA 65 CO -0.01 0.63 -0.09 -0.07 0.00 0.00 0.00 179.25 179.71 3imq h LEU 66 N 1.23 0.65 -1.58 0.00 3.38 -0.97 -2.85 115.31 115.17 3imq h LEU 66 Ca 0.32 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3imq h LEU 66 Cb -0.06 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3imq h LEU 66 CO -0.06 0.87 0.00 0.24 0.09 0.00 0.00 178.44 179.58 3imq h MET 67 N 0.43 0.00 -0.70 1.13 2.86 -1.21 -2.94 114.93 114.50 3imq h MET 67 Ca 0.08 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.50 3imq h MET 67 Cb 0.59 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.11 3imq h MET 67 CO 0.03 0.00 0.26 -2.13 1.06 0.00 0.00 176.91 176.13 3imq n ARG 68 N -3.03 3.43 -4.47 1.72 0.63 -0.83 -4.96 116.66 109.13 3imq n ARG 68 Ca 0.00 -3.08 -0.34 0.00 -0.92 0.00 0.00 57.85 53.51 3imq n ARG 68 Cb 0.27 -2.16 -0.10 0.00 0.45 0.00 0.00 32.46 30.92 3imq n ARG 68 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3imq s LEU 69 N -3.03 3.38 -0.28 6.15 2.96 -1.11 -5.00 118.68 121.74 3imq s LEU 69 Ca 0.54 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 3imq s LEU 69 Cb 0.44 -1.78 0.08 0.00 0.50 0.00 0.00 46.19 45.42 3imq s LEU 69 CO 0.12 0.36 0.03 -0.62 -1.32 0.00 0.00 176.35 174.91 3imq s ASP 70 N -0.95 4.10 0.48 3.68 -1.08 -1.26 -5.07 116.67 116.57 3imq s ASP 70 Ca 0.14 -1.56 -0.07 0.00 -0.52 0.00 0.00 52.55 50.54 3imq s ASP 70 Cb -0.11 -1.16 -0.04 0.00 -1.46 0.00 0.00 42.92 40.14 3imq s ASP 70 CO 0.03 -0.33 0.80 -0.76 0.52 0.00 0.00 175.17 175.42 3imq s LEU 71 N 1.36 3.64 0.60 -1.34 1.02 -1.26 -5.05 118.68 117.66 3imq s LEU 71 Ca 0.04 1.01 -0.18 0.00 0.02 0.00 0.00 54.13 55.02 3imq s LEU 71 Cb -0.18 -3.95 -0.03 0.00 0.02 0.00 0.00 46.19 42.04 3imq s LEU 71 CO -0.13 -0.56 1.15 0.00 0.02 0.00 0.00 176.35 176.83 3imq s ALA 72 N -2.70 2.55 0.43 4.21 0.00 -1.26 -4.94 121.76 120.05 3imq s ALA 72 Ca 0.49 0.81 -0.23 0.00 0.00 0.00 0.00 51.96 53.02 3imq s ALA 72 Cb -0.10 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 3imq s ALA 72 CO 0.43 -1.10 0.82 0.00 0.00 0.00 0.00 175.76 175.90 3imq n ALA 73 N -1.79 -0.52 0.00 0.00 0.00 -1.26 -2.13 120.51 114.81 3imq n ALA 73 Ca 0.12 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3imq n ALA 73 Cb 0.51 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 1.44 2.44 3.57 0.00 0.00 -1.26 -4.99 105.19 106.38 3imq n GLY 74 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.65 5.14 -0.16 1.61 1.01 -0.90 -3.96 120.40 120.49 3imq s VAL 75 Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 3imq s VAL 75 Cb 0.00 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3imq s VAL 75 CO 0.00 -0.01 -0.08 -0.62 0.00 0.00 0.00 175.10 174.39 3imq s ASP 76 N 1.70 4.33 0.10 3.32 2.15 0.33 -4.85 116.67 123.74 3imq s ASP 76 Ca 0.15 -0.28 0.09 0.00 0.43 0.00 0.00 52.55 52.94 3imq s ASP 76 Cb -0.16 -1.69 -0.04 0.00 -0.30 0.00 0.00 42.92 40.73 3imq s ASP 76 CO 0.11 0.13 -0.24 -0.69 -0.17 0.00 0.00 175.17 174.31 3imq s VAL 77 N 0.59 1.96 -0.03 1.11 1.01 -1.26 0.15 120.40 123.94 3imq s VAL 77 Ca -0.05 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.36 3imq s VAL 77 Cb -0.15 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.51 3imq s VAL 77 CO 0.03 0.07 -0.01 -1.10 0.00 0.00 0.00 175.10 174.10 3imq s GLN 78 N -1.82 0.37 -0.08 2.72 -0.21 -0.41 -5.00 119.66 115.23 3imq s GLN 78 Ca 0.10 0.05 0.04 0.00 0.02 0.00 0.00 55.36 55.57 3imq s GLN 78 Cb -0.10 -0.53 0.00 0.00 1.00 0.00 0.00 33.01 33.39 3imq s GLN 78 CO 0.04 -0.13 -0.20 0.42 -2.12 0.00 0.00 175.29 173.31 3imq s ILE 79 N 1.00 1.72 -0.14 1.08 1.01 -1.26 -0.26 121.20 124.35 3imq s ILE 79 Ca -0.10 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.73 3imq s ILE 79 Cb -0.14 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.85 3imq s ILE 79 CO -0.01 0.48 -0.19 -0.44 0.00 0.00 0.00 174.94 174.78 3imq s SER 80 N 0.32 2.90 -0.16 3.58 0.01 0.18 -4.98 113.70 115.56 3imq s SER 80 Ca -0.14 -0.56 -0.04 0.00 1.31 0.00 0.00 55.95 56.52 3imq s SER 80 Cb -0.16 -1.33 -0.03 0.00 0.21 0.00 0.00 66.02 64.71 3imq s SER 80 CO 0.06 0.02 -0.01 -0.76 0.41 0.00 0.00 173.24 172.96 3imq s LEU 81 N 1.09 3.39 0.00 2.44 1.02 -1.26 0.02 118.68 125.38 3imq s LEU 81 Ca -0.02 -0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.07 3imq s LEU 81 Cb -0.14 -1.82 0.00 0.00 0.02 0.00 0.00 46.19 44.24 3imq s LEU 81 CO -0.06 0.18 0.00 0.61 0.02 0.00 0.00 176.35 177.10