#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 -1.30 1.61 0.13 -2.02 -3.21 132.00 127.20 3imq h PRO -3 Ca 0.00 0.00 0.38 0.00 -0.87 0.00 0.00 66.00 65.51 3imq h PRO -3 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 3imq h PRO -3 CO 0.00 0.49 0.94 -0.07 -0.23 0.00 0.00 178.00 179.12 3imq h LEU -2 N 0.00 0.00 0.00 1.56 3.38 -1.99 0.13 115.31 118.39 3imq h LEU -2 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3imq h LEU -2 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3imq h LEU -2 CO 0.06 0.00 -0.15 0.61 0.09 0.00 0.00 178.44 179.06 3imq n GLY -1 N -1.79 -1.52 0.87 0.83 0.00 -1.21 -3.37 105.19 98.99 3imq n GLY -1 Ca 0.28 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.82 2.72 -4.10 1.61 7.64 0.43 -4.97 113.62 115.12 3imq n SER 0 Ca 0.06 -3.50 -0.33 0.00 1.01 0.00 0.00 58.87 56.11 3imq n SER 0 Cb 0.38 -0.57 -0.16 0.00 -1.01 0.00 0.00 64.21 62.85 3imq n SER 0 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3imq s MET 1 N -3.09 2.76 0.15 1.43 0.00 -1.16 -5.00 119.30 114.38 3imq s MET 1 Ca 0.41 -0.99 -0.07 0.00 0.00 0.00 0.00 55.69 55.04 3imq s MET 1 Cb 0.37 -2.67 -0.02 0.00 0.00 0.00 0.00 34.83 32.51 3imq s MET 1 CO 0.02 -0.32 1.40 0.37 0.00 0.00 0.00 175.02 176.48 3imq h GLN 2 N 7.89 0.63 -4.60 4.11 5.75 -1.89 -3.39 115.11 123.60 3imq h GLN 2 Ca -0.38 -0.47 -0.70 0.00 -0.15 0.00 0.00 58.65 56.95 3imq h GLN 2 Cb 1.11 0.09 -0.24 0.00 1.07 0.00 0.00 27.48 29.51 3imq h GLN 2 CO 0.58 1.09 -0.51 1.21 -2.65 0.00 0.00 178.83 178.56 3imq s ASN 3 N -7.01 5.77 -1.27 -0.69 3.04 -1.26 -5.01 114.94 108.52 3imq s ASN 3 Ca -0.08 -0.91 -0.19 0.00 0.04 0.00 0.00 52.86 51.72 3imq s ASN 3 Cb 0.10 -2.04 0.05 0.00 -1.54 0.00 0.00 41.25 37.81 3imq s ASN 3 CO 0.87 -0.37 1.75 -1.10 -3.04 0.00 0.00 177.10 175.21 3imq s GLN 4 N 1.58 3.76 -0.21 0.43 -1.52 -1.26 -4.72 119.66 117.73 3imq s GLN 4 Ca 0.03 -1.83 -0.17 0.00 -1.95 0.00 0.00 55.36 51.44 3imq s GLN 4 Cb -0.19 -5.49 0.06 0.00 -0.22 0.00 0.00 33.01 27.17 3imq s GLN 4 CO 0.07 -2.49 0.54 0.50 -0.25 0.00 0.00 175.29 173.65 3imq s ARG 5 N 4.58 0.59 -0.31 2.91 3.52 -1.26 -3.81 118.95 125.18 3imq s ARG 5 Ca 0.56 0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 56.97 3imq s ARG 5 Cb 0.03 0.22 0.06 0.00 -1.56 0.00 0.00 34.95 33.70 3imq s ARG 5 CO 0.08 -0.10 0.01 0.42 -0.81 0.00 0.00 175.30 174.89 3imq s ILE 6 N 0.68 2.91 -0.22 4.11 1.01 0.58 -3.77 121.20 126.52 3imq s ILE 6 Ca -0.03 -1.49 -0.11 0.00 0.00 0.00 0.00 60.65 59.02 3imq s ILE 6 Cb -0.05 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 3imq s ILE 6 CO -0.05 -0.16 0.16 -0.60 0.00 0.00 0.00 174.94 174.30 3imq s ARG 7 N 1.22 4.14 -0.11 2.79 3.52 -0.04 0.18 118.95 130.65 3imq s ARG 7 Ca -0.04 -0.21 0.03 0.00 -0.13 0.00 0.00 55.73 55.38 3imq s ARG 7 Cb -0.20 -3.48 0.01 0.00 -1.56 0.00 0.00 34.95 29.72 3imq s ARG 7 CO -0.02 0.18 -0.19 0.42 -0.81 0.00 0.00 175.30 174.87 3imq s ILE 8 N 0.72 1.78 -0.10 4.11 1.01 0.42 -0.97 121.20 128.17 3imq s ILE 8 Ca 0.09 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3imq s ILE 8 Cb -0.12 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 3imq s ILE 8 CO 0.02 0.50 -0.16 -0.13 0.00 0.00 0.00 174.94 175.16 3imq s ARG 9 N 0.72 3.04 0.05 2.79 0.52 -0.34 -1.17 118.95 124.56 3imq s ARG 9 Ca -0.11 -0.73 0.09 0.00 -0.52 0.00 0.00 55.73 54.46 3imq s ARG 9 Cb -0.16 -2.48 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 3imq s ARG 9 CO 0.02 0.33 -0.26 -0.51 0.02 0.00 0.00 175.30 174.90 3imq s LEU 10 N 0.03 2.19 -0.01 2.53 1.43 -0.05 -1.48 118.68 123.32 3imq s LEU 10 Ca -0.06 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 3imq s LEU 10 Cb -0.15 -1.29 -0.00 0.00 0.03 0.00 0.00 46.19 44.78 3imq s LEU 10 CO 0.05 0.25 -0.08 -0.54 0.23 0.00 0.00 176.35 176.26 3imq s LYS 11 N -1.32 0.67 0.09 1.70 1.02 -0.56 -1.92 119.74 119.43 3imq s LYS 11 Ca 0.12 -0.28 -0.26 0.00 0.02 0.00 0.00 55.97 55.58 3imq s LYS 11 Cb -0.10 -0.65 0.07 0.00 -0.52 0.00 0.00 37.83 36.63 3imq s LYS 11 CO 0.02 0.16 0.62 0.00 -0.92 0.00 0.00 175.35 175.24 3imq s ALA 12 N -0.12 -1.65 -0.04 5.17 0.00 -0.82 -0.33 121.76 123.97 3imq s ALA 12 Ca 0.02 0.76 0.12 0.00 0.00 0.00 0.00 51.96 52.86 3imq s ALA 12 Cb -0.04 0.59 -0.11 0.00 0.00 0.00 0.00 23.12 23.56 3imq s ALA 12 CO -0.00 -0.64 1.15 0.74 0.00 0.00 0.00 175.76 177.01 3imq h PHE 13 N 2.34 0.00 -3.62 0.00 0.05 -1.82 0.13 116.94 114.03 3imq h PHE 13 Ca -0.32 0.00 -0.64 0.00 3.82 0.00 0.00 57.97 60.84 3imq h PHE 13 Cb 1.25 0.00 -0.19 0.00 2.00 0.00 0.00 35.95 39.01 3imq h PHE 13 CO 0.28 0.76 -0.58 0.34 -0.18 0.00 0.00 178.31 178.93 3imq s ASP 14 N -6.36 5.52 0.43 2.17 -1.08 -1.26 -4.76 116.67 111.32 3imq s ASP 14 Ca 0.00 -0.07 0.23 0.00 -0.52 0.00 0.00 52.55 52.20 3imq s ASP 14 Cb 0.09 -1.99 0.77 0.00 -1.46 0.00 0.00 42.92 40.32 3imq s ASP 14 CO 0.80 0.02 1.76 1.12 0.52 0.00 0.00 175.17 179.38 3imq h HIS 15 N 7.85 0.00 -0.16 -5.34 2.07 -1.97 -2.29 115.15 115.30 3imq h HIS 15 Ca -0.37 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.08 3imq h HIS 15 Cb 1.18 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.15 3imq h HIS 15 CO 0.67 0.22 -0.16 -0.09 -3.07 0.00 0.00 177.93 175.50 3imq h ARG 16 N 0.00 0.40 -0.81 5.12 2.43 -1.99 -1.04 114.38 118.49 3imq h ARG 16 Ca -0.00 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 3imq h ARG 16 Cb 0.85 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 3imq h ARG 16 CO 0.03 0.77 0.39 -0.07 -1.51 0.00 0.00 179.97 179.59 3imq h LEU 17 N 0.04 1.06 -0.49 3.80 3.38 -1.97 -0.77 115.31 120.36 3imq h LEU 17 Ca 0.03 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 3imq h LEU 17 Cb 0.70 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3imq h LEU 17 CO 0.04 0.90 -0.50 -0.29 0.09 0.00 0.00 178.44 178.68 3imq h ILE 18 N 1.15 1.30 -0.49 1.22 2.10 -1.36 -0.62 117.51 120.81 3imq h ILE 18 Ca 0.28 -1.71 -0.07 0.00 1.08 0.00 0.00 64.86 64.44 3imq h ILE 18 Cb 0.11 1.64 -0.02 0.00 -1.09 0.00 0.00 36.82 37.47 3imq h ILE 18 CO -0.04 0.54 0.03 0.44 -1.08 0.00 0.00 178.15 178.04 3imq h ASP 19 N 0.53 0.82 -0.39 2.19 3.32 -1.04 -1.07 116.42 120.77 3imq h ASP 19 Ca 0.02 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.72 3imq h ASP 19 Cb 1.05 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 3imq h ASP 19 CO 0.10 0.91 -0.00 1.56 -1.72 0.00 0.00 179.24 180.09 3imq h GLN 20 N 0.71 0.70 -0.46 3.56 4.20 -1.00 -1.33 115.11 121.49 3imq h GLN 20 Ca 0.14 -0.22 0.06 0.00 0.06 0.00 0.00 58.65 58.69 3imq h GLN 20 Cb 0.47 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 3imq h GLN 20 CO 0.02 0.79 0.15 0.00 -0.67 0.00 0.00 178.83 179.12 3imq h ALA 21 N 0.88 0.55 -0.67 3.87 0.00 -1.11 -0.80 119.26 121.98 3imq h ALA 21 Ca 0.11 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3imq h ALA 21 Cb 0.48 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3imq h ALA 21 CO 0.02 -0.25 0.44 1.15 0.00 0.00 0.00 179.25 180.62 3imq h THR 22 N 0.31 1.16 -0.64 0.00 2.02 -1.02 -1.39 112.91 113.36 3imq h THR 22 Ca 0.22 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 3imq h THR 22 Cb 0.23 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 3imq h THR 22 CO -0.24 0.16 0.39 0.00 0.37 0.00 0.00 175.52 176.20 3imq h ALA 23 N 1.25 0.81 -0.63 6.16 0.00 -0.58 -1.80 119.26 124.47 3imq h ALA 23 Ca 0.25 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3imq h ALA 23 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3imq h ALA 23 CO -0.06 0.29 0.06 0.93 0.00 0.00 0.00 179.25 180.47 3imq h GLU 24 N 0.87 1.06 -0.22 0.00 5.08 -0.84 0.23 114.58 120.76 3imq h GLU 24 Ca 0.23 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3imq h GLU 24 Cb -0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3imq h GLU 24 CO -0.04 1.00 0.14 0.82 -1.00 0.00 0.00 179.01 179.92 3imq h ILE 25 N 0.98 1.08 -0.18 3.13 2.04 -0.91 0.22 117.51 123.87 3imq h ILE 25 Ca 0.19 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3imq h ILE 25 Cb 0.48 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3imq h ILE 25 CO 0.02 0.08 0.12 0.58 0.00 0.00 0.00 178.15 178.95 3imq h VAL 26 N 0.28 1.05 -0.79 1.67 2.07 -1.10 -0.59 116.25 118.84 3imq h VAL 26 Ca 0.08 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.54 3imq h VAL 26 Cb 0.01 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3imq h VAL 26 CO -0.02 0.05 0.50 -0.08 0.02 0.00 0.00 177.57 178.04 3imq h GLU 27 N 0.25 0.95 0.11 1.57 4.81 -0.80 -1.24 114.58 120.23 3imq h GLU 27 Ca 0.07 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3imq h GLU 27 Cb -0.03 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.14 3imq h GLU 27 CO -0.01 0.63 -0.05 1.15 -0.73 0.00 0.00 179.01 179.99 3imq h THR 28 N 0.98 0.91 -0.44 0.32 2.02 -0.61 -0.80 112.91 115.29 3imq h THR 28 Ca 0.32 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.48 3imq h THR 28 Cb 0.02 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 3imq h THR 28 CO -0.11 0.02 0.14 0.00 0.37 0.00 0.00 175.52 175.94 3imq h ALA 29 N 0.70 0.52 -0.20 6.16 0.00 -0.78 -3.07 119.26 122.60 3imq h ALA 29 Ca -0.02 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3imq h ALA 29 Cb 0.15 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3imq h ALA 29 CO 0.03 -0.25 -0.55 0.87 0.00 0.00 0.00 179.25 179.34 3imq h LYS 30 N 0.30 0.60 -0.16 0.00 1.57 -1.06 -1.33 116.57 116.50 3imq h LYS 30 Ca 0.21 -0.38 0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3imq h LYS 30 Cb 0.22 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3imq h LYS 30 CO -0.23 1.00 0.12 0.00 -0.57 0.00 0.00 179.45 179.76 3imq h ARG 31 N 0.46 0.00 -0.17 3.15 3.08 -1.07 -1.40 114.38 118.43 3imq h ARG 31 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3imq h ARG 31 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3imq h ARG 31 CO 0.11 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.26 3imq n THR 32 N -4.43 0.21 -0.54 2.04 -2.24 -1.10 -4.94 114.28 103.28 3imq n THR 32 Ca 0.01 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3imq n THR 32 Cb 0.25 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 1.28 0.70 3.95 3.38 0.00 -0.53 -4.67 105.19 109.31 3imq n GLY 33 Ca 0.17 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 3.63 0.35 4.61 0.00 -0.52 -4.90 121.76 122.92 3imq s ALA 34 Ca 0.00 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 50.90 3imq s ALA 34 Cb 0.00 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 3imq s ALA 34 CO 0.00 -0.88 0.11 -0.65 0.00 0.00 0.00 175.76 174.34 3imq s GLN 35 N -4.90 2.28 -0.09 0.00 -1.52 0.07 -4.18 119.66 111.32 3imq s GLN 35 Ca 0.57 -1.63 0.02 0.00 -1.95 0.00 0.00 55.36 52.37 3imq s GLN 35 Cb -0.10 -2.09 0.01 0.00 -0.22 0.00 0.00 33.01 30.61 3imq s GLN 35 CO 0.41 0.10 -0.14 0.08 -0.25 0.00 0.00 175.29 175.48 3imq s VAL 36 N -2.47 1.33 -0.13 1.09 1.01 -1.26 -1.41 120.40 118.56 3imq s VAL 36 Ca 0.37 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 3imq s VAL 36 Cb -0.01 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3imq s VAL 36 CO 0.22 0.40 -0.08 -0.13 0.00 0.00 0.00 175.10 175.51 3imq s ARG 37 N 0.85 3.42 2.81 2.72 0.52 0.44 -4.94 118.95 124.78 3imq s ARG 37 Ca -0.10 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 3imq s ARG 37 Cb -0.15 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.57 3imq s ARG 37 CO 0.01 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.03 3imq n GLY 38 N 3.35 -0.14 3.84 -3.53 0.00 -1.26 -1.19 105.19 106.26 3imq n GLY 38 Ca -0.18 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 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 3.03 0.05 1.61 0.04 -1.26 -4.98 135.00 133.49 3imq s PRO 39 Ca 0.00 0.79 0.06 0.00 0.04 0.00 0.00 61.00 61.89 3imq s PRO 39 Cb 0.00 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 3imq s PRO 39 CO 0.00 -0.99 -0.17 0.96 0.04 0.00 0.00 177.00 176.84 3imq s ILE 40 N -3.14 1.34 0.09 0.56 -4.36 0.77 -4.97 121.20 111.50 3imq s ILE 40 Ca 0.57 -1.17 -0.17 0.00 -0.26 0.00 0.00 60.65 59.63 3imq s ILE 40 Cb -0.13 -1.21 -0.07 0.00 1.25 0.00 0.00 42.46 42.31 3imq s ILE 40 CO 0.54 0.02 0.54 -2.16 0.24 0.00 0.00 174.94 174.12 3imq s PRO 41 N -1.33 4.08 -0.08 0.37 0.04 -1.26 -0.62 135.00 136.21 3imq s PRO 41 Ca 0.03 0.61 -0.03 0.00 0.04 0.00 0.00 61.00 61.65 3imq s PRO 41 Cb -0.09 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 3imq s PRO 41 CO 0.02 0.59 0.07 -0.51 0.04 0.00 0.00 177.00 177.21 3imq s LEU 42 N -1.41 3.93 0.34 -3.56 1.43 -0.59 -4.96 118.68 113.86 3imq s LEU 42 Ca 0.31 0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 53.39 3imq s LEU 42 Cb -0.17 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 3imq s LEU 42 CO 0.18 0.36 1.23 -2.16 0.23 0.00 0.00 176.35 176.19 3imq s PRO 43 N -1.16 4.30 0.27 1.29 0.05 -1.26 -4.39 135.00 134.11 3imq s PRO 43 Ca 0.16 2.02 0.06 0.00 0.05 0.00 0.00 61.00 63.29 3imq s PRO 43 Cb -0.12 -2.97 -0.06 0.00 0.05 0.00 0.00 34.50 31.41 3imq s PRO 43 CO 0.06 -0.16 -0.04 0.95 0.05 0.00 0.00 177.00 177.86 3imq s THR 44 N -1.23 1.46 -1.26 1.26 -4.23 -1.26 -5.04 115.64 105.35 3imq s THR 44 Ca 0.51 -2.09 0.14 0.00 -1.18 0.00 0.00 61.69 59.07 3imq s THR 44 Cb -0.36 -2.44 0.41 0.00 1.34 0.00 0.00 72.50 71.46 3imq s THR 44 CO 0.46 -0.29 1.34 0.54 -0.54 0.00 0.00 174.62 176.13 3imq n ARG 45 N -0.55 2.82 -2.50 3.99 1.74 -1.26 -5.03 116.66 115.88 3imq n ARG 45 Ca -0.05 -2.24 -0.09 0.00 -0.77 0.00 0.00 57.85 54.69 3imq n ARG 45 Cb 0.64 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.70 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 0.87 1.93 -0.69 0.55 3.41 -1.26 -5.02 113.62 113.41 3imq n SER 46 Ca 0.16 -1.65 0.05 0.00 -0.26 0.00 0.00 58.87 57.17 3imq n SER 46 Cb 0.49 0.04 0.15 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.70 1.92 -3.60 4.33 1.74 -1.26 -4.86 116.66 114.23 3imq n ARG 47 Ca -0.03 -1.19 -0.38 0.00 -0.77 0.00 0.00 57.85 55.48 3imq n ARG 47 Cb 0.20 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.22 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 -1.61 5.17 -0.06 0.55 2.01 -1.26 -4.61 115.64 115.83 3imq s THR 48 Ca 0.22 0.66 -0.04 0.00 0.31 0.00 0.00 61.69 62.84 3imq s THR 48 Cb 0.12 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 3imq s THR 48 CO 0.13 0.57 0.13 -1.00 -0.69 0.00 0.00 174.62 173.77 3imq s HIS 49 N -0.95 3.50 -0.03 4.92 3.76 0.47 -4.75 115.29 122.21 3imq s HIS 49 Ca 0.21 0.39 0.03 0.00 -0.15 0.00 0.00 55.06 55.55 3imq s HIS 49 Cb -0.15 -1.86 -0.00 0.00 1.11 0.00 0.00 32.58 31.68 3imq s HIS 49 CO 0.10 0.66 -0.13 -0.51 -0.85 0.00 0.00 174.74 174.01 3imq s LEU 50 N -1.42 1.87 0.01 0.89 1.43 -1.26 -1.94 118.68 118.26 3imq s LEU 50 Ca 0.20 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 3imq s LEU 50 Cb -0.12 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.37 3imq s LEU 50 CO 0.10 0.11 -0.07 -0.13 0.23 0.00 0.00 176.35 176.59 3imq s ARG 51 N 0.04 0.56 -0.05 1.70 1.81 -0.81 -1.55 118.95 120.66 3imq s ARG 51 Ca -0.02 -0.37 0.06 0.00 -1.72 0.00 0.00 55.73 53.68 3imq s ARG 51 Cb -0.09 -0.51 -0.01 0.00 -0.45 0.00 0.00 34.95 33.90 3imq s ARG 51 CO 0.01 0.13 -0.23 -1.17 -0.68 0.00 0.00 175.30 173.36 3imq s LEU 52 N -0.49 2.03 -0.05 2.53 0.20 0.21 -0.88 118.68 122.23 3imq s LEU 52 Ca 0.00 -0.47 -0.02 0.00 0.69 0.00 0.00 54.13 54.33 3imq s LEU 52 Cb -0.04 -1.26 0.03 0.00 -0.43 0.00 0.00 46.19 44.49 3imq s LEU 52 CO -0.00 0.22 0.11 0.54 -0.29 0.00 0.00 176.35 176.93 3imq s VAL 53 N -0.10 -0.04 -0.19 1.68 0.11 -0.32 -0.16 120.40 121.38 3imq s VAL 53 Ca -0.04 0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 59.10 3imq s VAL 53 Cb -0.13 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 3imq s VAL 53 CO 0.03 0.06 0.04 -1.81 -3.33 0.00 0.00 175.10 170.10 3imq s ASP 54 N 0.94 5.39 -0.36 3.54 1.01 -0.33 -0.44 116.67 126.42 3imq s ASP 54 Ca -0.07 -0.00 -0.11 0.00 0.71 0.00 0.00 52.55 53.08 3imq s ASP 54 Cb -0.10 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 41.93 3imq s ASP 54 CO -0.04 0.14 0.19 -0.63 0.21 0.00 0.00 175.17 175.04 3imq s ILE 55 N 0.56 4.56 0.35 0.77 1.01 0.13 -0.42 121.20 128.16 3imq s ILE 55 Ca 0.02 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 59.96 3imq s ILE 55 Cb -0.13 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3imq s ILE 55 CO 0.01 -0.18 0.20 0.68 0.00 0.00 0.00 174.94 175.66 3imq s VAL 56 N 1.56 3.03 -1.47 2.92 -7.23 -0.50 -0.31 120.40 118.40 3imq s VAL 56 Ca 0.02 -1.59 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 3imq s VAL 56 Cb -0.19 -3.03 0.01 0.00 0.56 0.00 0.00 36.38 33.73 3imq s VAL 56 CO 0.06 -0.15 0.29 -0.62 -0.31 0.00 0.00 175.10 174.38 3imq n GLU 57 N -1.25 -2.48 -1.69 4.82 1.02 -1.25 -0.75 120.64 119.07 3imq n GLU 57 Ca -0.02 0.30 -0.32 0.00 -0.02 0.00 0.00 57.16 57.09 3imq n GLU 57 Cb 0.61 -4.24 0.05 0.00 -0.02 0.00 0.00 31.44 27.84 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 -6.85 2.80 0.46 3.49 0.04 -1.26 -4.20 135.00 129.47 3imq s PRO 58 Ca 0.04 1.27 0.05 0.00 0.04 0.00 0.00 61.00 62.40 3imq s PRO 58 Cb -0.02 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 3imq s PRO 58 CO 0.93 -1.24 0.07 0.95 0.04 0.00 0.00 177.00 177.75 3imq s THR 59 N -2.55 1.72 0.24 1.26 -4.23 -1.26 -4.99 115.64 105.82 3imq s THR 59 Ca 0.64 -1.90 -0.07 0.00 -1.18 0.00 0.00 61.69 59.18 3imq s THR 59 Cb -0.18 -2.62 0.23 0.00 1.34 0.00 0.00 72.50 71.27 3imq s THR 59 CO 0.45 0.00 1.91 -0.33 -0.54 0.00 0.00 174.62 176.11 3imq h GLU 60 N 1.47 1.22 -0.02 3.99 3.07 -1.98 -0.55 114.58 121.78 3imq h GLU 60 Ca -0.43 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.32 3imq h GLU 60 Cb 1.28 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.90 3imq h GLU 60 CO 0.75 0.81 -0.17 0.87 -1.40 0.00 0.00 179.01 179.86 3imq h LYS 61 N 1.26 0.03 0.25 2.33 1.57 -1.96 -1.60 116.57 118.45 3imq h LYS 61 Ca 0.35 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 3imq h LYS 61 Cb -0.12 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3imq h LYS 61 CO -0.08 0.21 -0.15 1.15 -0.57 0.00 0.00 179.45 180.00 3imq h THR 62 N 0.03 0.67 0.18 -0.16 2.02 -1.37 0.13 112.91 114.42 3imq h THR 62 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 3imq h THR 62 Cb 0.33 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3imq h THR 62 CO 0.02 0.00 -0.11 0.58 0.37 0.00 0.00 175.52 176.38 3imq h VAL 63 N -0.39 0.76 -0.53 3.16 2.07 -1.28 0.10 116.25 120.15 3imq h VAL 63 Ca -0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 3imq h VAL 63 Cb 0.33 0.76 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 3imq h VAL 63 CO 0.02 0.00 -0.08 0.44 0.02 0.00 0.00 177.57 177.98 3imq h ASP 64 N -0.29 -0.38 -0.45 0.57 3.32 -1.28 0.73 116.42 118.63 3imq h ASP 64 Ca -0.02 0.15 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 3imq h ASP 64 Cb 0.24 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3imq h ASP 64 CO 0.02 -0.14 -0.25 0.00 -1.72 0.00 0.00 179.24 177.14 3imq h ALA 65 N 1.51 0.64 -0.65 3.45 0.00 -0.23 -2.60 119.26 121.37 3imq h ALA 65 Ca 0.26 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3imq h ALA 65 Cb 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3imq h ALA 65 CO -0.50 0.66 0.26 -0.07 0.00 0.00 0.00 179.25 179.60 3imq h LEU 66 N 0.82 0.87 -0.13 0.00 3.38 -0.43 -2.59 115.31 117.23 3imq h LEU 66 Ca 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3imq h LEU 66 Cb 0.84 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3imq h LEU 66 CO 0.07 0.78 0.00 0.23 0.09 0.00 0.00 178.44 179.61 3imq n MET 67 N -4.31 0.06 -0.04 1.13 2.81 0.22 -2.81 117.12 114.18 3imq n MET 67 Ca 0.06 0.22 0.08 0.00 -1.81 0.00 0.00 57.70 56.24 3imq n MET 67 Cb 0.17 -1.60 0.09 0.00 -0.71 0.00 0.00 33.22 31.17 3imq n MET 67 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3imq n ARG 68 N -1.70 1.38 -2.64 0.03 1.85 -0.99 -4.99 116.66 109.59 3imq n ARG 68 Ca 0.04 -1.54 -0.42 0.00 -1.00 0.00 0.00 57.85 54.93 3imq n ARG 68 Cb 0.24 -1.30 -0.03 0.00 -1.05 0.00 0.00 32.46 30.33 3imq n ARG 68 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3imq s LEU 69 N -1.21 4.29 -0.25 2.89 2.96 -1.10 -5.03 118.68 121.23 3imq s LEU 69 Ca 0.20 1.63 -0.14 0.00 -0.22 0.00 0.00 54.13 55.60 3imq s LEU 69 Cb 0.13 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 3imq s LEU 69 CO 0.19 -0.43 0.33 -1.81 -1.32 0.00 0.00 176.35 173.31 3imq s ASP 70 N 1.13 6.26 0.28 3.68 1.01 -1.26 -5.06 116.67 122.71 3imq s ASP 70 Ca 0.51 0.30 -0.09 0.00 0.71 0.00 0.00 52.55 53.97 3imq s ASP 70 Cb -0.20 -2.19 -0.07 0.00 1.01 0.00 0.00 42.92 41.47 3imq s ASP 70 CO 0.21 -0.10 0.60 -0.76 0.21 0.00 0.00 175.17 175.34 3imq s LEU 71 N 1.65 4.08 0.37 1.23 2.01 -1.26 -5.05 118.68 121.71 3imq s LEU 71 Ca 0.14 0.94 -0.28 0.00 0.01 0.00 0.00 54.13 54.94 3imq s LEU 71 Cb -0.15 -3.74 -0.11 0.00 0.01 0.00 0.00 46.19 42.20 3imq s LEU 71 CO 0.08 -0.16 1.49 0.00 1.01 0.00 0.00 176.35 178.77 3imq s ALA 72 N -1.98 3.58 0.27 4.21 0.00 -1.26 -4.95 121.76 121.63 3imq s ALA 72 Ca 0.48 1.56 -0.29 0.00 0.00 0.00 0.00 51.96 53.71 3imq s ALA 72 Cb -0.11 -3.61 -0.14 0.00 0.00 0.00 0.00 23.12 19.26 3imq s ALA 72 CO 0.24 -1.04 1.08 0.00 0.00 0.00 0.00 175.76 176.05 3imq n ALA 73 N 0.58 -0.08 0.00 0.00 0.00 -1.26 -2.34 120.51 117.41 3imq n ALA 73 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3imq n ALA 73 Cb 0.39 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 1.36 0.77 3.30 0.00 0.00 -1.26 -5.05 105.19 104.30 3imq n GLY 74 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.11 3.20 0.03 1.61 1.01 -0.99 -3.93 120.40 119.22 3imq s VAL 75 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3imq s VAL 75 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3imq s VAL 75 CO 0.00 0.45 0.13 -1.81 0.00 0.00 0.00 175.10 173.87 3imq s ASP 76 N 1.30 5.93 0.05 3.32 1.01 0.55 -4.86 116.67 123.98 3imq s ASP 76 Ca 0.04 0.17 0.04 0.00 0.71 0.00 0.00 52.55 53.51 3imq s ASP 76 Cb -0.14 -1.74 -0.03 0.00 1.01 0.00 0.00 42.92 42.02 3imq s ASP 76 CO -0.03 0.22 -0.12 0.54 0.21 0.00 0.00 175.17 175.98 3imq s VAL 77 N -1.35 0.95 -0.05 -1.27 0.11 -1.26 -1.49 120.40 116.05 3imq s VAL 77 Ca 0.28 -1.13 -0.00 0.00 -2.93 0.00 0.00 61.98 58.20 3imq s VAL 77 Cb -0.12 -0.92 0.03 0.00 -1.53 0.00 0.00 36.38 33.83 3imq s VAL 77 CO 0.20 -0.19 -0.01 -1.10 -3.33 0.00 0.00 175.10 170.67 3imq s GLN 78 N -1.48 0.56 -0.15 1.54 -0.21 -0.55 -4.99 119.66 114.38 3imq s GLN 78 Ca -0.03 0.04 0.01 0.00 0.02 0.00 0.00 55.36 55.40 3imq s GLN 78 Cb -0.09 -0.76 0.02 0.00 1.00 0.00 0.00 33.01 33.18 3imq s GLN 78 CO 0.01 -0.18 -0.18 0.42 -2.12 0.00 0.00 175.29 173.24 3imq s ILE 79 N 1.33 1.85 -0.13 1.08 1.01 -1.26 -1.19 121.20 123.89 3imq s ILE 79 Ca -0.05 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.80 3imq s ILE 79 Cb -0.13 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.67 3imq s ILE 79 CO -0.02 0.51 -0.20 -0.94 0.00 0.00 0.00 174.94 174.28 3imq s SER 80 N 1.17 2.89 -1.04 3.58 1.04 -0.14 -4.99 113.70 116.20 3imq s SER 80 Ca 0.00 -0.54 -0.05 0.00 0.48 0.00 0.00 55.95 55.84 3imq s SER 80 Cb -0.14 -1.33 0.12 0.00 0.10 0.00 0.00 66.02 64.77 3imq s SER 80 CO -0.08 0.07 2.46 0.18 0.98 0.00 0.00 173.24 176.85 3imq n LEU 81 N 4.05 7.55 0.00 2.42 7.99 -1.26 -0.86 117.00 136.88 3imq n LEU 81 Ca -0.20 -4.68 0.06 0.00 -0.01 0.00 0.00 56.01 51.19 3imq n LEU 81 Cb 0.52 -1.31 0.38 0.00 -0.11 0.00 0.00 43.42 42.90 3imq n LEU 81 CO 0.26 1.96 0.60 0.61 -1.51 0.00 0.00 177.39 179.31