#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqm s THR 2 N 0.00 2.60 0.25 0.00 2.01 -1.26 -4.25 115.64 114.99 1rqm s THR 2 Ca 0.00 0.30 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 1rqm s THR 2 Cb 0.00 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1rqm s THR 2 CO 0.00 -0.15 0.24 -0.32 -0.69 0.00 0.00 174.62 173.70 1rqm s MET 3 N -3.87 1.43 0.56 4.92 -2.45 -0.92 -4.97 119.30 113.99 1rqm s MET 3 Ca 0.73 -1.66 -0.16 0.00 -1.25 0.00 0.00 55.69 53.34 1rqm s MET 3 Cb -0.27 0.33 -0.06 0.00 1.25 0.00 0.00 34.83 36.08 1rqm s MET 3 CO 0.42 -0.52 1.02 0.99 1.05 0.00 0.00 175.02 177.99 1rqm s THR 4 N -3.89 4.18 0.34 10.11 2.01 -1.26 -3.44 115.64 123.69 1rqm s THR 4 Ca 0.36 1.03 0.09 0.00 0.31 0.00 0.00 61.69 63.48 1rqm s THR 4 Cb 0.04 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 1rqm s THR 4 CO 0.15 -0.61 0.07 -0.22 -0.69 0.00 0.00 174.62 173.32 1rqm s LEU 5 N -4.31 3.11 0.20 4.42 2.96 -0.39 -4.83 118.68 119.84 1rqm s LEU 5 Ca 0.61 -0.89 -0.23 0.00 -0.22 0.00 0.00 54.13 53.40 1rqm s LEU 5 Cb -0.13 -1.53 0.05 0.00 0.50 0.00 0.00 46.19 45.08 1rqm s LEU 5 CO 0.35 -0.27 0.89 -0.89 -1.32 0.00 0.00 176.35 175.11 1rqm s THR 6 N -2.47 0.00 0.14 3.68 2.01 -1.26 -4.65 115.64 113.09 1rqm s THR 6 Ca 0.36 -0.78 -0.31 0.00 0.31 0.00 0.00 61.69 61.28 1rqm s THR 6 Cb -0.01 -2.10 -0.06 0.00 0.01 0.00 0.00 72.50 70.33 1rqm s THR 6 CO 0.21 0.00 1.55 -2.24 -0.69 0.00 0.00 174.62 173.45 1rqm h ASP 7 N 2.00 -1.76 -0.79 3.53 2.03 -1.93 0.27 116.42 119.76 1rqm h ASP 7 Ca -0.23 0.25 -0.01 0.00 -0.73 0.00 0.00 57.03 56.31 1rqm h ASP 7 Cb 1.24 0.75 -0.04 0.00 -0.83 0.00 0.00 39.33 40.44 1rqm h ASP 7 CO 0.26 -0.37 0.47 0.00 -1.03 0.00 0.00 179.24 178.57 1rqm h ALA 8 N 0.19 1.01 0.00 4.15 0.00 -1.99 -1.75 119.26 120.87 1rqm h ALA 8 Ca 0.11 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1rqm h ALA 8 Cb 0.58 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1rqm h ALA 8 CO -0.64 0.48 -0.28 -0.91 0.00 0.00 0.00 179.25 177.90 1rqm h ASN 9 N 1.08 0.00 0.17 0.00 2.35 -1.75 0.14 115.58 117.57 1rqm h ASN 9 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1rqm h ASN 9 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1rqm h ASN 9 CO -0.05 0.28 0.00 0.33 -1.65 0.00 0.00 177.43 176.34 1rqm n PHE 10 N -3.77 0.00 0.03 1.19 -0.00 0.87 -0.65 117.46 115.15 1rqm n PHE 10 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 1rqm n PHE 10 Cb 0.38 -0.32 0.00 0.00 -0.00 0.00 0.00 39.48 39.54 1rqm n PHE 10 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1rqm n GLN 11 N -1.32 0.00 0.08 -4.13 0.00 -0.90 -4.66 117.38 106.44 1rqm n GLN 11 Ca 0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.00 57.12 1rqm n GLN 11 Cb 0.07 -0.47 0.39 0.00 0.00 0.00 0.00 30.24 30.23 1rqm n GLN 11 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1rqm n GLN 12 N -3.30 0.10 0.00 3.69 7.27 0.43 -1.46 117.38 124.12 1rqm n GLN 12 Ca 0.00 0.39 0.04 0.00 0.07 0.00 0.00 57.00 57.50 1rqm n GLN 12 Cb 0.18 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 31.12 1rqm n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1rqm n ALA 13 N -1.65 2.66 -1.59 1.69 0.00 0.18 -4.82 120.51 116.98 1rqm n ALA 13 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1rqm n ALA 13 Cb 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1rqm n ALA 13 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1rqm n ILE 14 N -0.17 0.00 0.00 0.00 -5.35 -0.54 -4.90 119.36 108.40 1rqm n ILE 14 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1rqm n ILE 14 Cb 0.17 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 1rqm n ILE 14 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rqm n GLN 15 N 0.00 0.00 -4.55 6.28 10.64 -1.08 -4.84 117.38 123.83 1rqm n GLN 15 Ca 0.00 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.85 1rqm n GLN 15 Cb 0.00 -1.59 -0.05 0.00 -0.86 0.00 0.00 30.24 27.74 1rqm n GLN 15 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1rqm s GLY 16 N -0.79 2.93 0.05 2.61 0.00 -1.26 -4.70 107.32 106.17 1rqm s GLY 16 Ca 0.00 -0.32 0.27 0.00 0.00 0.00 0.00 44.72 44.67 1rqm s GLY 16 CO 0.00 -2.15 1.72 2.09 0.00 0.00 0.00 173.10 174.76 1rqm n ASP 17 N -1.45 0.34 -4.75 1.64 5.75 -1.26 -0.27 116.55 116.54 1rqm n ASP 17 Ca -0.17 0.31 -0.36 0.00 -0.01 0.00 0.00 54.79 54.56 1rqm n ASP 17 Cb 0.66 -0.32 0.03 0.00 -1.03 0.00 0.00 41.12 40.47 1rqm n ASP 17 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1rqm s GLY 18 N -3.18 2.74 -0.70 6.12 0.00 -1.26 -4.78 107.32 106.26 1rqm s GLY 18 Ca 0.12 1.00 -0.26 0.00 0.00 0.00 0.00 44.72 45.58 1rqm s GLY 18 CO 0.60 1.39 1.83 2.56 0.00 0.00 0.00 173.10 179.49 1rqm s PRO 19 N -3.33 2.67 -0.09 2.90 0.04 -1.26 -4.56 135.00 131.37 1rqm s PRO 19 Ca 0.77 0.30 -0.03 0.00 0.04 0.00 0.00 61.00 62.08 1rqm s PRO 19 Cb -0.30 -4.56 -0.03 0.00 0.04 0.00 0.00 34.50 29.65 1rqm s PRO 19 CO 0.33 -2.83 0.03 0.08 0.04 0.00 0.00 177.00 174.65 1rqm s VAL 20 N 9.00 4.59 -0.02 -0.36 1.01 -1.11 -1.51 120.40 131.99 1rqm s VAL 20 Ca 0.65 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1rqm s VAL 20 Cb -0.11 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1rqm s VAL 20 CO 0.14 0.60 -0.08 -1.48 0.00 0.00 0.00 175.10 174.28 1rqm s LEU 21 N -0.95 1.81 -0.26 3.92 2.34 0.07 -0.28 118.68 125.33 1rqm s LEU 21 Ca 0.14 -0.17 -0.09 0.00 0.06 0.00 0.00 54.13 54.07 1rqm s LEU 21 Cb -0.11 -0.50 -0.04 0.00 -0.56 0.00 0.00 46.19 44.98 1rqm s LEU 21 CO 0.03 0.06 0.13 -0.69 -1.06 0.00 0.00 176.35 174.82 1rqm s VAL 22 N 0.15 4.85 -0.71 1.48 1.01 0.63 -0.42 120.40 127.40 1rqm s VAL 22 Ca -0.02 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1rqm s VAL 22 Cb -0.08 -3.28 0.19 0.00 0.00 0.00 0.00 36.38 33.21 1rqm s VAL 22 CO 0.00 0.31 0.61 -0.62 0.00 0.00 0.00 175.10 175.40 1rqm s ASP 23 N 1.56 6.20 -0.36 3.32 -1.08 0.07 -1.80 116.67 124.58 1rqm s ASP 23 Ca 0.06 -2.58 -0.29 0.00 -0.52 0.00 0.00 52.55 49.23 1rqm s ASP 23 Cb -0.15 -2.10 0.01 0.00 -1.46 0.00 0.00 42.92 39.23 1rqm s ASP 23 CO 0.07 -0.56 1.21 -0.36 0.52 0.00 0.00 175.17 176.05 1rqm s PHE 24 N 0.35 2.82 0.18 -5.34 0.08 0.47 -1.13 117.98 115.41 1rqm s PHE 24 Ca 0.15 0.91 0.02 0.00 0.12 0.00 0.00 56.93 58.13 1rqm s PHE 24 Cb -0.16 -4.01 -0.01 0.00 -0.57 0.00 0.00 43.02 38.27 1rqm s PHE 24 CO -0.06 -1.35 0.07 -2.67 -0.10 0.00 0.00 175.22 171.11 1rqm n TRP 25 N 7.58 0.00 -3.75 0.36 4.27 -0.67 -1.93 117.44 123.29 1rqm n TRP 25 Ca 0.13 -1.17 -0.08 0.00 -3.89 0.00 0.00 57.50 52.50 1rqm n TRP 25 Cb 0.47 0.02 -0.02 0.00 -1.36 0.00 0.00 31.31 30.42 1rqm n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1rqm s ALA 26 N -2.50 -1.34 -1.11 -1.67 0.00 -1.26 -0.31 121.76 113.57 1rqm s ALA 26 Ca 0.10 -0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.07 1rqm s ALA 26 Cb 0.01 0.84 0.45 0.00 0.00 0.00 0.00 23.12 24.42 1rqm s ALA 26 CO 0.07 -0.98 1.30 0.00 0.00 0.00 0.00 175.76 176.15 1rqm n ALA 27 N -0.44 1.51 -0.01 0.00 0.00 -1.26 -3.34 120.51 116.97 1rqm n ALA 27 Ca -0.07 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.37 1rqm n ALA 27 Cb 0.60 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 1rqm n ALA 27 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1rqm n TRP 28 N -1.44 0.00 -0.69 0.00 2.14 -1.26 -4.89 117.44 111.29 1rqm n TRP 28 Ca 0.03 0.00 -0.06 0.00 2.07 0.00 0.00 57.50 59.54 1rqm n TRP 28 Cb 0.11 -0.27 -0.08 0.00 -0.81 0.00 0.00 31.31 30.25 1rqm n TRP 28 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1rqm n GLY 30 N 2.11 0.27 0.33 0.00 0.00 -1.26 -0.79 105.19 105.85 1rqm n GLY 30 Ca 0.21 0.21 0.20 0.00 0.00 0.00 0.00 46.02 46.64 1rqm n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rqm h PRO 31 N 0.00 0.00 -0.47 1.61 0.13 -1.97 0.10 132.00 131.40 1rqm h PRO 31 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 1rqm h PRO 31 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1rqm h PRO 31 CO 0.00 0.00 0.32 0.00 -0.23 0.00 0.00 178.00 178.09 1rqm h ARG 33 N 0.28 0.00 0.00 0.00 2.43 -1.17 0.15 114.38 116.07 1rqm h ARG 33 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1rqm h ARG 33 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1rqm h ARG 33 CO -0.04 0.00 -1.70 0.00 -1.51 0.00 0.00 179.97 176.72 1rqm n MET 34 N -2.92 0.53 0.03 0.20 0.00 -0.21 -4.05 117.12 110.70 1rqm n MET 34 Ca 0.02 -0.13 -0.15 0.00 0.00 0.00 0.00 57.70 57.44 1rqm n MET 34 Cb 0.34 -1.55 -0.04 0.00 0.00 0.00 0.00 33.22 31.97 1rqm n MET 34 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 1rqm h MET 35 N 0.00 0.59 -0.55 3.17 1.85 -0.45 -3.06 114.93 116.48 1rqm h MET 35 Ca 0.00 -0.53 0.11 0.00 -0.61 0.00 0.00 59.70 58.67 1rqm h MET 35 Cb 0.91 0.12 -0.11 0.00 0.43 0.00 0.00 31.60 32.95 1rqm h MET 35 CO 0.00 1.15 -0.21 0.00 -0.40 0.00 0.00 176.91 177.44 1rqm h ALA 36 N 0.69 0.21 -0.11 0.39 0.00 -1.11 0.38 119.26 119.70 1rqm h ALA 36 Ca -0.06 0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1rqm h ALA 36 Cb 1.44 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1rqm h ALA 36 CO 0.16 -0.53 -0.52 -1.00 0.00 0.00 0.00 179.25 177.36 1rqm h PRO 37 N -0.08 0.31 0.00 0.00 0.13 -1.76 -2.98 132.00 127.63 1rqm h PRO 37 Ca 0.25 -0.18 -0.04 0.00 -0.87 0.00 0.00 66.00 65.16 1rqm h PRO 37 Cb 0.48 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1rqm h PRO 37 CO -0.61 0.76 -0.18 -0.24 -0.23 0.00 0.00 178.00 177.49 1rqm h VAL 38 N 0.24 1.02 0.00 1.56 3.04 -0.99 -0.75 116.25 120.38 1rqm h VAL 38 Ca 0.01 -0.66 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 1rqm h VAL 38 Cb 0.99 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 1rqm h VAL 38 CO 0.08 0.18 0.00 0.18 -1.01 0.00 0.00 177.57 177.01 1rqm n LEU 39 N -4.16 0.48 0.12 3.16 4.32 0.12 -1.84 117.00 119.20 1rqm n LEU 39 Ca -0.02 0.59 -0.24 0.00 -0.02 0.00 0.00 56.01 56.32 1rqm n LEU 39 Cb 0.26 -0.49 -0.15 0.00 -1.62 0.00 0.00 43.42 41.41 1rqm n LEU 39 CO 0.35 -0.34 -0.15 -0.08 -1.22 0.00 0.00 177.39 175.95 1rqm h GLU 40 N 0.00 0.53 0.00 3.23 4.57 -0.99 0.14 114.58 122.06 1rqm h GLU 40 Ca 0.00 -0.85 0.00 0.00 -1.18 0.00 0.00 59.36 57.33 1rqm h GLU 40 Cb 0.44 0.31 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1rqm h GLU 40 CO 0.00 1.40 0.00 1.49 -1.18 0.00 0.00 179.01 180.72 1rqm h GLU 41 N 0.11 0.00 0.13 1.92 4.81 -1.40 -2.24 114.58 117.91 1rqm h GLU 41 Ca -0.22 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.76 1rqm h GLU 41 Cb 2.03 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.42 1rqm h GLU 41 CO 0.25 0.00 -1.16 0.35 -0.73 0.00 0.00 179.01 177.72 1rqm h PHE 42 N 0.00 0.52 -0.58 0.92 3.57 -1.21 -3.35 116.94 116.80 1rqm h PHE 42 Ca 0.00 -0.38 0.12 0.00 3.53 0.00 0.00 57.97 61.24 1rqm h PHE 42 Cb 0.27 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 38.89 1rqm h PHE 42 CO 0.00 1.45 -0.03 0.00 -2.23 0.00 0.00 178.31 177.50 1rqm h ALA 43 N 0.02 0.53 -0.78 2.41 0.00 -0.12 -1.47 119.26 119.83 1rqm h ALA 43 Ca -0.23 0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1rqm h ALA 43 Cb 1.73 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 19.79 1rqm h ALA 43 CO 0.11 -0.40 0.43 1.49 0.00 0.00 0.00 179.25 180.87 1rqm h GLU 44 N 0.09 0.70 0.00 0.00 4.81 -1.66 -1.16 114.58 117.35 1rqm h GLU 44 Ca 0.30 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1rqm h GLU 44 Cb 0.47 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1rqm h GLU 44 CO -0.52 0.46 0.00 0.00 -0.73 0.00 0.00 179.01 178.22 1rqm n ALA 45 N -2.39 1.23 -2.69 2.92 0.00 -0.56 -3.11 120.51 115.91 1rqm n ALA 45 Ca 0.13 0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.57 1rqm n ALA 45 Cb 0.28 -1.21 0.10 0.00 0.00 0.00 0.00 19.45 18.62 1rqm n ALA 45 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1rqm n HIS 46 N -1.89 -1.75 -0.21 0.00 1.44 -0.76 -4.97 115.22 107.07 1rqm n HIS 46 Ca 0.00 -2.09 0.02 0.00 -2.01 0.00 0.00 57.72 53.64 1rqm n HIS 46 Cb 0.08 1.21 0.11 0.00 0.12 0.00 0.00 29.99 31.51 1rqm n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rqm h ALA 47 N 2.19 0.68 0.00 1.59 0.00 -1.18 -3.14 119.26 119.41 1rqm h ALA 47 Ca -0.25 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rqm h ALA 47 Cb 1.28 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1rqm h ALA 47 CO 0.04 -0.36 0.00 -3.47 0.00 0.00 0.00 179.25 175.46 1rqm n ASP 48 N -5.22 0.29 -0.03 0.00 2.03 -1.26 -4.01 116.55 108.36 1rqm n ASP 48 Ca 0.10 -0.62 0.18 0.00 0.52 0.00 0.00 54.79 54.97 1rqm n ASP 48 Cb 0.36 0.48 0.63 0.00 -0.72 0.00 0.00 41.12 41.87 1rqm n ASP 48 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1rqm h LYS 49 N 0.00 0.12 -4.90 -0.67 3.64 -1.92 -3.29 116.57 109.55 1rqm h LYS 49 Ca 0.00 -0.01 -0.46 0.00 -1.27 0.00 0.00 60.65 58.92 1rqm h LYS 49 Cb 0.04 -0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 31.70 1rqm h LYS 49 CO 0.00 0.08 -0.52 0.14 -2.27 0.00 0.00 179.45 176.88 1rqm s VAL 50 N -5.13 0.17 -0.43 2.00 -7.23 -1.23 -4.84 120.40 103.72 1rqm s VAL 50 Ca -0.06 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.12 1rqm s VAL 50 Cb 0.20 -2.47 0.12 0.00 0.56 0.00 0.00 36.38 34.78 1rqm s VAL 50 CO 0.74 0.00 0.18 -0.89 -0.31 0.00 0.00 175.10 174.82 1rqm s THR 51 N -3.50 2.79 0.45 5.32 2.01 -0.57 -0.62 115.64 121.52 1rqm s THR 51 Ca 0.36 -2.53 -0.21 0.00 0.31 0.00 0.00 61.69 59.62 1rqm s THR 51 Cb 0.03 -2.96 -0.09 0.00 0.01 0.00 0.00 72.50 69.49 1rqm s THR 51 CO 0.22 -0.70 1.01 0.54 -0.69 0.00 0.00 174.62 175.00 1rqm s VAL 52 N 0.62 3.98 -0.24 3.82 0.11 -1.26 -0.75 120.40 126.68 1rqm s VAL 52 Ca 0.12 1.29 -0.03 0.00 -2.93 0.00 0.00 61.98 60.43 1rqm s VAL 52 Cb -0.22 -3.55 0.12 0.00 -1.53 0.00 0.00 36.38 31.21 1rqm s VAL 52 CO -0.05 -0.22 0.34 0.00 -3.33 0.00 0.00 175.10 171.84 1rqm s ALA 53 N -1.98 -0.86 0.19 1.54 0.00 0.44 -2.17 121.76 118.92 1rqm s ALA 53 Ca 0.64 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 1rqm s ALA 53 Cb -0.15 -1.61 -0.08 0.00 0.00 0.00 0.00 23.12 21.28 1rqm s ALA 53 CO 0.19 -1.29 0.63 -1.59 0.00 0.00 0.00 175.76 173.69 1rqm s LYS 54 N 2.48 4.07 0.09 0.00 -2.85 -1.22 -0.75 119.74 121.55 1rqm s LYS 54 Ca 0.11 0.63 -0.18 0.00 -1.00 0.00 0.00 55.97 55.52 1rqm s LYS 54 Cb -0.15 -2.86 0.04 0.00 -2.06 0.00 0.00 37.83 32.80 1rqm s LYS 54 CO -0.16 0.41 0.44 -0.48 0.10 0.00 0.00 175.35 175.66 1rqm s LEU 55 N -2.10 0.25 -0.54 2.77 2.34 -0.28 -1.27 118.68 119.86 1rqm s LEU 55 Ca 0.42 -0.10 -0.28 0.00 0.06 0.00 0.00 54.13 54.22 1rqm s LEU 55 Cb -0.15 1.91 0.02 0.00 -0.56 0.00 0.00 46.19 47.40 1rqm s LEU 55 CO 0.20 -0.77 1.37 0.21 -1.06 0.00 0.00 176.35 176.29 1rqm s ASN 56 N -2.38 6.23 0.46 1.48 2.47 -1.26 -1.67 114.94 120.27 1rqm s ASN 56 Ca -0.01 0.35 0.17 0.00 0.42 0.00 0.00 52.86 53.78 1rqm s ASN 56 Cb 0.00 -2.55 1.08 0.00 -1.45 0.00 0.00 41.25 38.34 1rqm s ASN 56 CO -0.07 -1.62 2.00 1.62 -3.72 0.00 0.00 177.10 175.31 1rqm h VAL 57 N 6.35 1.02 -0.02 -5.21 3.04 -0.98 -2.03 116.25 118.43 1rqm h VAL 57 Ca -0.26 -0.65 -0.05 0.00 -1.01 0.00 0.00 66.70 64.73 1rqm h VAL 57 Cb 1.09 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 31.72 1rqm h VAL 57 CO 1.16 0.18 -0.22 -0.78 -1.01 0.00 0.00 177.57 176.91 1rqm h ASP 58 N 0.00 0.03 0.15 3.17 3.58 -1.91 -3.04 116.42 118.39 1rqm h ASP 58 Ca -0.00 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1rqm h ASP 58 Cb 0.35 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 1rqm h ASP 58 CO 0.02 0.25 -1.86 1.21 -2.88 0.00 0.00 179.24 175.98 1rqm n GLU 59 N -4.27 0.65 -3.48 0.28 2.13 -0.86 -4.58 120.64 110.51 1rqm n GLU 59 Ca -0.02 -0.14 -0.43 0.00 0.66 0.00 0.00 57.16 57.23 1rqm n GLU 59 Cb 0.28 -1.57 -0.05 0.00 0.27 0.00 0.00 31.44 30.37 1rqm n GLU 59 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1rqm s ASN 60 N -4.69 6.10 0.41 4.31 2.47 -0.82 -4.89 114.94 117.82 1rqm s ASN 60 Ca -0.07 -2.55 0.28 0.00 0.42 0.00 0.00 52.86 50.94 1rqm s ASN 60 Cb 0.13 -2.07 0.97 0.00 -1.45 0.00 0.00 41.25 38.83 1rqm s ASN 60 CO 0.89 -0.55 1.81 1.55 -3.72 0.00 0.00 177.10 177.07 1rqm h PRO 61 N 7.75 0.00 -6.20 0.43 0.13 -1.81 -3.41 132.00 128.89 1rqm h PRO 61 Ca -0.01 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.55 1rqm h PRO 61 Cb 1.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1rqm h PRO 61 CO 0.78 0.00 1.28 -2.00 -0.23 0.00 0.00 178.00 177.83 1rqm s GLU 62 N -3.40 3.59 0.00 0.86 -6.30 -1.26 -2.13 118.70 110.06 1rqm s GLU 62 Ca 0.05 1.92 0.00 0.00 -2.50 0.00 0.00 54.97 54.43 1rqm s GLU 62 Cb 0.09 -4.19 0.00 0.00 0.00 0.00 0.00 34.13 30.03 1rqm s GLU 62 CO 0.54 -1.57 0.00 2.41 0.02 0.00 0.00 175.26 176.67 1rqm n THR 63 N 6.82 0.00 -0.03 -1.70 -1.04 -1.26 -4.68 114.28 112.39 1rqm n THR 63 Ca 0.23 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.14 1rqm n THR 63 Cb 0.45 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.92 1rqm n THR 63 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1rqm h THR 64 N 0.00 0.25 0.00 12.58 2.02 -1.77 -0.47 112.91 125.52 1rqm h THR 64 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1rqm h THR 64 Cb 0.00 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1rqm h THR 64 CO 0.00 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 175.65 1rqm n SER 65 N -5.41 0.00 -0.09 4.18 2.88 -0.90 -1.56 113.62 112.71 1rqm n SER 65 Ca -0.02 0.15 -0.17 0.00 -1.33 0.00 0.00 58.87 57.50 1rqm n SER 65 Cb 0.33 -0.34 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1rqm n SER 65 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1rqm h GLN 66 N 0.00 0.00 -0.68 -1.46 -0.00 -1.58 -3.39 115.11 107.99 1rqm h GLN 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1rqm h GLN 66 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.68 1rqm h GLN 66 CO 0.00 0.72 0.00 1.19 0.00 0.00 0.00 178.83 180.74 1rqm n PHE 67 N -4.49 0.11 -2.47 3.99 3.72 -0.28 -4.82 117.46 113.22 1rqm n PHE 67 Ca -0.25 -0.04 -0.15 0.00 -0.05 0.00 0.00 57.45 56.96 1rqm n PHE 67 Cb 0.56 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 39.02 1rqm n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rqm n GLY 68 N 0.21 -0.19 3.58 1.37 0.00 -1.18 -4.89 105.19 104.08 1rqm n GLY 68 Ca 0.02 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1rqm n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rqm s ILE 69 N -2.82 3.95 -0.18 -0.61 -1.09 -0.60 -4.63 121.20 115.22 1rqm s ILE 69 Ca 0.08 -1.54 0.09 0.00 -2.23 0.00 0.00 60.65 57.05 1rqm s ILE 69 Cb -0.04 -5.01 0.19 0.00 -1.58 0.00 0.00 42.46 36.02 1rqm s ILE 69 CO 0.10 -1.76 1.13 1.15 -1.23 0.00 0.00 174.94 174.33 1rqm n MET 70 N 8.43 2.40 -3.60 2.79 0.00 -1.26 -4.79 117.12 121.09 1rqm n MET 70 Ca 0.46 -2.07 -0.11 0.00 0.00 0.00 0.00 57.70 55.98 1rqm n MET 70 Cb 0.47 -1.29 -0.04 0.00 0.00 0.00 0.00 33.22 32.35 1rqm n MET 70 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1rqm s SER 71 N -1.73 -0.31 0.16 3.17 0.01 -1.26 -5.19 113.70 108.56 1rqm s SER 71 Ca 0.18 -0.19 -0.17 0.00 1.31 0.00 0.00 55.95 57.08 1rqm s SER 71 Cb 0.15 0.49 0.03 0.00 0.21 0.00 0.00 66.02 66.90 1rqm s SER 71 CO 0.04 -0.84 0.48 0.27 0.41 0.00 0.00 173.24 173.60 1rqm s ILE 72 N -3.54 0.04 0.11 1.44 -4.36 -1.26 -4.39 121.20 109.24 1rqm s ILE 72 Ca 0.01 -0.65 -0.31 0.00 -0.26 0.00 0.00 60.65 59.44 1rqm s ILE 72 Cb 0.01 -1.38 -0.09 0.00 1.25 0.00 0.00 42.46 42.25 1rqm s ILE 72 CO -0.10 -0.19 1.58 -2.16 0.24 0.00 0.00 174.94 174.32 1rqm s PRO 73 N -3.84 4.22 -0.04 0.37 0.04 -1.26 -4.80 135.00 129.68 1rqm s PRO 73 Ca 0.06 2.31 0.05 0.00 0.04 0.00 0.00 61.00 63.46 1rqm s PRO 73 Cb 0.00 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 1rqm s PRO 73 CO -0.07 -0.65 -0.19 0.99 0.04 0.00 0.00 177.00 177.12 1rqm s THR 74 N 1.86 1.58 -0.14 1.26 2.01 -0.81 -0.64 115.64 120.76 1rqm s THR 74 Ca 0.71 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.89 1rqm s THR 74 Cb -0.41 -1.34 0.03 0.00 0.01 0.00 0.00 72.50 70.79 1rqm s THR 74 CO 0.31 0.45 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.42 1rqm s LEU 75 N -0.11 1.32 -0.08 4.42 0.20 0.08 -0.39 118.68 124.11 1rqm s LEU 75 Ca -0.01 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.37 1rqm s LEU 75 Cb -0.11 -0.83 0.01 0.00 -0.43 0.00 0.00 46.19 44.83 1rqm s LEU 75 CO 0.02 -0.16 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.13 1rqm s ILE 76 N 1.70 1.38 -0.21 6.68 1.01 -0.75 -0.16 121.20 130.86 1rqm s ILE 76 Ca 0.03 -0.62 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 1rqm s ILE 76 Cb -0.14 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1rqm s ILE 76 CO -0.08 0.41 0.29 -0.22 0.00 0.00 0.00 174.94 175.35 1rqm s LEU 77 N 0.61 4.16 0.16 2.97 0.20 0.02 -0.27 118.68 126.53 1rqm s LEU 77 Ca -0.15 0.38 0.10 0.00 0.69 0.00 0.00 54.13 55.14 1rqm s LEU 77 Cb -0.16 -2.34 -0.04 0.00 -0.43 0.00 0.00 46.19 43.21 1rqm s LEU 77 CO 0.05 0.01 -0.22 -0.36 -0.29 0.00 0.00 176.35 175.54 1rqm s PHE 78 N 1.03 2.05 0.02 5.38 0.40 0.62 0.00 117.98 127.48 1rqm s PHE 78 Ca 0.15 -0.41 -0.26 0.00 -0.60 0.00 0.00 56.93 55.80 1rqm s PHE 78 Cb -0.14 -1.04 0.06 0.00 0.51 0.00 0.00 43.02 42.41 1rqm s PHE 78 CO 0.06 0.38 0.60 -1.59 0.70 0.00 0.00 175.22 175.37 1rqm s LYS 79 N -2.53 1.08 -0.31 0.44 -2.85 -0.72 -2.75 119.74 112.10 1rqm s LYS 79 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 55.97 55.08 1rqm s LYS 79 Cb -0.08 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.20 1rqm s LYS 79 CO 0.07 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 175.55 1rqm n GLY 80 N 0.52 0.30 2.41 0.59 0.00 0.62 -0.79 105.19 108.84 1rqm n GLY 80 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1rqm n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqm n GLY 81 N 0.63 0.89 3.61 -0.02 0.00 -1.26 -4.93 105.19 104.11 1rqm n GLY 81 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1rqm n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rqm s GLU 82 N -0.18 3.24 -0.38 1.61 2.12 0.03 -5.05 118.70 120.08 1rqm s GLU 82 Ca 0.00 -0.46 -0.29 0.00 0.36 0.00 0.00 54.97 54.59 1rqm s GLU 82 Cb 0.00 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.56 1rqm s GLU 82 CO 0.00 0.52 1.52 -1.25 -0.54 0.00 0.00 175.26 175.51 1rqm s PRO 83 N -0.40 3.53 0.17 4.30 0.04 -1.26 -1.76 135.00 139.62 1rqm s PRO 83 Ca 0.07 1.10 -0.06 0.00 0.04 0.00 0.00 61.00 62.15 1rqm s PRO 83 Cb -0.12 -4.07 0.04 0.00 0.04 0.00 0.00 34.50 30.39 1rqm s PRO 83 CO 0.02 -1.62 1.45 0.28 0.04 0.00 0.00 177.00 177.17 1rqm h VAL 84 N 6.53 1.31 -3.11 -0.36 2.07 -0.76 -3.47 116.25 118.46 1rqm h VAL 84 Ca -0.29 -1.85 -0.06 0.00 0.82 0.00 0.00 66.70 65.32 1rqm h VAL 84 Cb 1.12 1.81 -0.15 0.00 -1.52 0.00 0.00 31.29 32.56 1rqm h VAL 84 CO 1.07 0.58 -0.03 -0.54 0.02 0.00 0.00 177.57 178.66 1rqm s LYS 85 N -3.94 1.04 -0.04 1.57 1.02 -1.11 -5.00 119.74 113.28 1rqm s LYS 85 Ca -0.08 -0.48 -0.01 0.00 0.02 0.00 0.00 55.97 55.41 1rqm s LYS 85 Cb 0.11 0.46 0.03 0.00 -0.52 0.00 0.00 37.83 37.91 1rqm s LYS 85 CO 0.86 -0.39 0.08 -1.14 -0.92 0.00 0.00 175.35 173.83 1rqm s GLN 86 N -3.12 -0.00 -0.02 1.68 0.74 -1.26 -0.80 119.66 116.88 1rqm s GLN 86 Ca -0.01 0.30 0.07 0.00 0.05 0.00 0.00 55.36 55.76 1rqm s GLN 86 Cb 0.00 -0.27 -0.02 0.00 1.10 0.00 0.00 33.01 33.83 1rqm s GLN 86 CO -0.07 -0.20 -0.23 -0.51 -0.55 0.00 0.00 175.29 173.73 1rqm s LEU 87 N 1.37 2.04 -0.06 3.68 1.02 0.77 -5.00 118.68 122.49 1rqm s LEU 87 Ca -0.06 -0.41 -0.01 0.00 0.02 0.00 0.00 54.13 53.67 1rqm s LEU 87 Cb -0.12 -1.17 0.03 0.00 0.02 0.00 0.00 46.19 44.94 1rqm s LEU 87 CO -0.04 0.28 0.00 0.27 0.02 0.00 0.00 176.35 176.88 1rqm s ILE 88 N -0.51 0.32 0.00 -0.59 -4.36 -1.26 -0.74 121.20 114.06 1rqm s ILE 88 Ca 0.08 0.13 0.00 0.00 -0.26 0.00 0.00 60.65 60.60 1rqm s ILE 88 Cb -0.09 -0.47 0.00 0.00 1.25 0.00 0.00 42.46 43.15 1rqm s ILE 88 CO -0.01 0.24 0.00 0.61 0.24 0.00 0.00 174.94 176.02 1rqm n GLY 89 N 4.96 1.39 3.57 6.27 0.00 0.18 -4.82 105.19 116.74 1rqm n GLY 89 Ca -0.10 -2.08 -0.27 0.00 0.00 0.00 0.00 46.02 43.56 1rqm n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rqm s TYR 90 N -1.73 1.87 -0.22 1.61 5.04 -1.26 -4.78 117.35 117.89 1rqm s TYR 90 Ca 0.00 0.56 -0.26 0.00 -2.44 0.00 0.00 57.07 54.93 1rqm s TYR 90 Cb 0.00 -4.02 -0.00 0.00 0.35 0.00 0.00 41.96 38.29 1rqm s TYR 90 CO 0.00 -1.48 0.91 -0.65 -1.34 0.00 0.00 175.55 172.99 1rqm s GLN 91 N 6.76 4.24 0.85 4.97 -1.52 -1.26 -5.05 119.66 128.65 1rqm s GLN 91 Ca 0.69 1.12 -0.10 0.00 -1.95 0.00 0.00 55.36 55.12 1rqm s GLN 91 Cb -0.04 -3.62 0.10 0.00 -0.22 0.00 0.00 33.01 29.23 1rqm s GLN 91 CO 0.06 -0.51 1.11 -1.25 -0.25 0.00 0.00 175.29 174.46 1rqm s PRO 92 N 2.78 1.62 0.20 2.91 0.04 -1.26 -4.58 135.00 136.71 1rqm s PRO 92 Ca 0.39 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.54 1rqm s PRO 92 Cb -0.16 -1.82 0.17 0.00 0.04 0.00 0.00 34.50 32.74 1rqm s PRO 92 CO 0.08 -2.12 1.60 -0.22 0.04 0.00 0.00 177.00 176.38 1rqm h LYS 93 N -1.49 -0.10 -0.01 4.56 3.11 -1.97 0.15 116.57 120.82 1rqm h LYS 93 Ca -0.44 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 1rqm h LYS 93 Cb 1.25 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.50 1rqm h LYS 93 CO 0.48 -0.07 0.01 0.93 -2.81 0.00 0.00 179.45 177.99 1rqm h GLU 94 N -0.11 0.00 0.12 1.90 5.08 -1.99 0.29 114.58 119.87 1rqm h GLU 94 Ca 0.26 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.30 1rqm h GLU 94 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1rqm h GLU 94 CO -0.67 0.00 -1.71 0.37 -1.00 0.00 0.00 179.01 176.01 1rqm h GLN 95 N 0.00 0.26 0.83 2.33 5.75 -1.13 -3.20 115.11 119.94 1rqm h GLN 95 Ca 0.01 -0.44 -0.04 0.00 -0.15 0.00 0.00 58.65 58.03 1rqm h GLN 95 Cb 0.03 0.16 0.01 0.00 1.07 0.00 0.00 27.48 28.76 1rqm h GLN 95 CO -0.00 1.21 -0.40 1.25 -2.65 0.00 0.00 178.83 178.24 1rqm h LEU 96 N -0.15 -0.94 -1.66 -2.39 6.46 -0.60 0.23 115.31 116.26 1rqm h LEU 96 Ca -0.37 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.49 1rqm h LEU 96 Cb 1.89 0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 42.03 1rqm h LEU 96 CO 0.06 -0.62 0.33 -0.33 -0.62 0.00 0.00 178.44 177.26 1rqm h GLU 97 N -1.22 0.41 -0.06 1.25 4.39 -1.17 0.16 114.58 118.34 1rqm h GLU 97 Ca -0.11 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1rqm h GLU 97 Cb 0.85 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1rqm h GLU 97 CO 0.19 0.27 -0.04 0.00 -1.16 0.00 0.00 179.01 178.27 1rqm h ALA 98 N 1.73 0.08 -0.66 3.43 0.00 -1.50 -0.29 119.26 122.05 1rqm h ALA 98 Ca 0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1rqm h ALA 98 Cb 0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1rqm h ALA 98 CO -0.05 -0.15 0.23 0.37 0.00 0.00 0.00 179.25 179.65 1rqm h GLN 99 N -0.29 0.99 -0.01 0.00 5.75 -0.10 -2.34 115.11 119.12 1rqm h GLN 99 Ca 0.01 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1rqm h GLN 99 Cb 0.51 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.90 1rqm h GLN 99 CO 0.01 0.83 -0.03 1.28 -2.65 0.00 0.00 178.83 178.27 1rqm n LEU 100 N -4.29 0.66 -0.33 -2.39 4.32 0.00 -4.58 117.00 110.40 1rqm n LEU 100 Ca 0.06 -0.17 0.09 0.00 -0.02 0.00 0.00 56.01 55.96 1rqm n LEU 100 Cb 0.20 -0.05 0.29 0.00 -1.62 0.00 0.00 43.42 42.23 1rqm n LEU 100 CO 0.40 0.11 1.23 0.00 -1.22 0.00 0.00 177.39 177.91 1rqm h ALA 101 N 4.01 1.63 0.00 -1.18 0.00 -0.46 -0.05 119.26 123.21 1rqm h ALA 101 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rqm h ALA 101 Cb 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1rqm h ALA 101 CO 0.00 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 178.97 1rqm n ASP 102 N -4.60 0.00 -0.14 0.00 5.75 -1.26 0.11 116.55 116.42 1rqm n ASP 102 Ca 0.18 0.15 0.02 0.00 -0.01 0.00 0.00 54.79 55.13 1rqm n ASP 102 Cb 0.39 -0.32 0.02 0.00 -1.03 0.00 0.00 41.12 40.18 1rqm n ASP 102 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1rqm n VAL 103 N -1.32 0.13 -0.14 2.12 0.31 -0.07 -4.70 118.33 114.65 1rqm n VAL 103 Ca 0.06 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1rqm n VAL 103 Cb 0.13 0.99 0.00 0.00 -0.91 0.00 0.00 33.84 34.05 1rqm n VAL 103 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1rqm n LEU 104 N 0.13 0.45 0.00 7.52 7.99 -0.21 -4.99 117.00 127.90 1rqm n LEU 104 Ca 0.02 -0.61 0.00 0.00 -0.01 0.00 0.00 56.01 55.41 1rqm n LEU 104 Cb 0.11 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 1rqm n LEU 104 CO 0.02 0.11 0.25 1.67 -1.51 0.00 0.00 177.39 177.93