#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqm n THR 2 N 0.00 1.28 -4.92 0.00 -1.04 -0.42 -4.93 114.28 104.23 1rqm n THR 2 Ca 0.00 0.32 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1rqm n THR 2 Cb 0.00 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 1rqm n THR 2 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1rqm n MET 3 N -1.45 0.00 -2.06 -2.82 1.56 -1.19 -4.61 117.12 106.55 1rqm n MET 3 Ca 0.03 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.03 1rqm n MET 3 Cb 0.10 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.44 1rqm n MET 3 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1rqm s THR 4 N 0.00 3.54 0.14 1.12 2.01 -1.26 -0.34 115.64 120.86 1rqm s THR 4 Ca 0.00 0.80 0.03 0.00 0.31 0.00 0.00 61.69 62.82 1rqm s THR 4 Cb 0.00 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1rqm s THR 4 CO 0.00 -0.04 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.62 1rqm s LEU 5 N 3.36 2.37 0.12 4.42 0.20 0.23 -4.90 118.68 124.48 1rqm s LEU 5 Ca 0.70 -1.07 -0.04 0.00 0.69 0.00 0.00 54.13 54.41 1rqm s LEU 5 Cb -0.33 -0.15 -0.03 0.00 -0.43 0.00 0.00 46.19 45.25 1rqm s LEU 5 CO 0.28 -0.47 0.12 0.42 -0.29 0.00 0.00 176.35 176.42 1rqm s THR 6 N -3.55 0.11 0.26 3.68 -4.23 -1.26 -4.43 115.64 106.22 1rqm s THR 6 Ca 0.18 -1.67 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 1rqm s THR 6 Cb 0.05 -1.84 0.26 0.00 1.34 0.00 0.00 72.50 72.31 1rqm s THR 6 CO 0.00 -0.52 1.90 -0.78 -0.54 0.00 0.00 174.62 174.68 1rqm h ASP 7 N 2.81 1.08 0.11 3.99 3.58 -1.92 0.29 116.42 126.36 1rqm h ASP 7 Ca -0.34 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 1rqm h ASP 7 Cb 1.20 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 42.01 1rqm h ASP 7 CO 0.57 0.73 -0.02 0.00 -2.88 0.00 0.00 179.24 177.63 1rqm h ALA 8 N 1.42 1.31 0.03 -0.78 0.00 -1.98 0.04 119.26 119.31 1rqm h ALA 8 Ca 0.40 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.94 1rqm h ALA 8 Cb 0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1rqm h ALA 8 CO -0.13 0.03 -2.10 0.09 0.00 0.00 0.00 179.25 177.13 1rqm n ASN 9 N -3.57 1.24 0.07 0.00 3.02 0.07 -4.05 115.26 112.05 1rqm n ASN 9 Ca -0.03 0.15 -0.12 0.00 -0.03 0.00 0.00 54.58 54.55 1rqm n ASN 9 Cb 0.12 -0.11 -0.08 0.00 -0.61 0.00 0.00 39.78 39.11 1rqm n ASN 9 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1rqm h PHE 10 N 0.02 -1.19 -0.48 3.10 3.04 0.45 0.85 116.94 122.72 1rqm h PHE 10 Ca -0.44 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.58 1rqm h PHE 10 Cb 2.05 0.51 -0.04 0.00 2.56 0.00 0.00 35.95 41.03 1rqm h PHE 10 CO 0.03 -0.45 0.24 1.96 -2.02 0.00 0.00 178.31 178.06 1rqm h GLN 11 N -0.55 0.46 0.00 1.11 4.20 -1.24 0.26 115.11 119.34 1rqm h GLN 11 Ca 0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1rqm h GLN 11 Cb 0.57 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1rqm h GLN 11 CO -0.24 0.30 -0.08 1.96 -0.67 0.00 0.00 178.83 180.10 1rqm h GLN 12 N 0.47 0.00 0.19 1.46 4.20 -1.67 -1.48 115.11 118.29 1rqm h GLN 12 Ca 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1rqm h GLN 12 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1rqm h GLN 12 CO -0.15 0.08 -0.09 0.00 -0.67 0.00 0.00 178.83 178.00 1rqm h ALA 13 N 1.92 -0.30 0.00 3.87 0.00 0.19 -3.40 119.26 121.54 1rqm h ALA 13 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rqm h ALA 13 Cb 0.59 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1rqm h ALA 13 CO 0.01 -0.28 -0.02 -0.84 0.00 0.00 0.00 179.25 178.12 1rqm h ILE 14 N -0.87 0.19 0.00 0.00 3.07 -0.32 0.26 117.51 119.84 1rqm h ILE 14 Ca -0.03 -0.17 -0.02 0.00 1.55 0.00 0.00 64.86 66.19 1rqm h ILE 14 Cb 0.19 1.14 -0.00 0.00 -0.27 0.00 0.00 36.82 37.88 1rqm h ILE 14 CO 0.04 0.02 -0.09 0.06 -1.05 0.00 0.00 178.15 177.14 1rqm h GLN 15 N 0.00 0.00 -7.50 0.16 -0.00 -1.48 0.14 115.11 106.43 1rqm h GLN 15 Ca -0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 58.65 58.19 1rqm h GLN 15 Cb 0.14 0.00 0.13 0.00 -0.00 0.00 0.00 27.48 27.75 1rqm h GLN 15 CO 0.00 0.09 0.31 0.20 -0.00 0.00 0.00 178.83 179.43 1rqm s GLY 16 N -4.18 1.58 0.30 0.06 0.00 0.08 -3.24 107.32 101.91 1rqm s GLY 16 Ca -0.03 -0.54 0.19 0.00 0.00 0.00 0.00 44.72 44.34 1rqm s GLY 16 CO 0.56 0.01 1.36 1.29 0.00 0.00 0.00 173.10 176.32 1rqm h ASP 17 N -1.48 0.00 -4.27 1.64 2.03 -1.88 0.21 116.42 112.67 1rqm h ASP 17 Ca -0.50 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.30 1rqm h ASP 17 Cb 1.33 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 39.90 1rqm h ASP 17 CO 0.62 0.26 0.38 -0.83 -1.03 0.00 0.00 179.24 178.64 1rqm s GLY 18 N -4.40 1.88 -0.81 7.15 0.00 -1.26 -4.83 107.32 105.04 1rqm s GLY 18 Ca 0.03 0.18 -0.25 0.00 0.00 0.00 0.00 44.72 44.69 1rqm s GLY 18 CO 0.73 0.49 2.16 2.56 0.00 0.00 0.00 173.10 179.04 1rqm s PRO 19 N -4.60 2.14 0.02 2.90 0.04 -1.26 -4.54 135.00 129.69 1rqm s PRO 19 Ca 0.60 0.19 -0.28 0.00 0.04 0.00 0.00 61.00 61.54 1rqm s PRO 19 Cb -0.14 -4.87 -0.04 0.00 0.04 0.00 0.00 34.50 29.49 1rqm s PRO 19 CO 0.46 -3.77 0.90 0.08 0.04 0.00 0.00 177.00 174.71 1rqm s VAL 20 N 12.07 4.81 -0.05 -0.36 1.01 -0.99 -0.93 120.40 135.96 1rqm s VAL 20 Ca 0.81 1.91 0.06 0.00 0.00 0.00 0.00 61.98 64.75 1rqm s VAL 20 Cb -0.10 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 1rqm s VAL 20 CO 0.06 0.23 -0.23 -0.76 0.00 0.00 0.00 175.10 174.40 1rqm s LEU 21 N 0.65 2.22 -0.21 3.92 1.02 -0.46 -0.79 118.68 125.04 1rqm s LEU 21 Ca 0.47 -0.43 0.01 0.00 0.02 0.00 0.00 54.13 54.20 1rqm s LEU 21 Cb -0.21 -1.41 0.03 0.00 0.02 0.00 0.00 46.19 44.62 1rqm s LEU 21 CO 0.26 0.28 -0.16 -0.69 0.02 0.00 0.00 176.35 176.06 1rqm s VAL 22 N -0.34 2.17 -0.45 -1.59 1.01 -0.61 -0.56 120.40 120.03 1rqm s VAL 22 Ca 0.02 -1.15 -0.28 0.00 0.00 0.00 0.00 61.98 60.57 1rqm s VAL 22 Cb -0.12 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 1rqm s VAL 22 CO 0.02 0.34 1.58 -0.62 0.00 0.00 0.00 175.10 176.42 1rqm s ASP 23 N 1.24 6.03 -0.49 3.32 2.15 0.19 -2.89 116.67 126.23 1rqm s ASP 23 Ca 0.00 0.76 -0.23 0.00 0.43 0.00 0.00 52.55 53.52 1rqm s ASP 23 Cb -0.15 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 39.96 1rqm s ASP 23 CO -0.10 -1.70 0.79 -0.36 -0.17 0.00 0.00 175.17 173.64 1rqm s PHE 24 N 6.45 2.95 0.37 -5.34 0.08 0.47 -0.45 117.98 122.52 1rqm s PHE 24 Ca 0.65 -0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.71 1rqm s PHE 24 Cb -0.15 -3.73 -0.01 0.00 -0.57 0.00 0.00 43.02 38.56 1rqm s PHE 24 CO 0.30 -1.09 0.07 -2.67 -0.10 0.00 0.00 175.22 171.73 1rqm n TRP 25 N 6.80 0.45 -3.58 0.36 4.27 -0.93 -1.58 117.44 123.23 1rqm n TRP 25 Ca 0.00 -2.14 -0.11 0.00 -3.89 0.00 0.00 57.50 51.37 1rqm n TRP 25 Cb 0.48 -0.11 -0.04 0.00 -1.36 0.00 0.00 31.31 30.27 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 -2.84 -1.11 -0.05 -1.67 0.00 -1.26 -0.17 121.76 114.66 1rqm s ALA 26 Ca 0.10 0.10 0.25 0.00 0.00 0.00 0.00 51.96 52.42 1rqm s ALA 26 Cb 0.01 0.73 1.37 0.00 0.00 0.00 0.00 23.12 25.23 1rqm s ALA 26 CO 0.07 -0.67 1.77 0.00 0.00 0.00 0.00 175.76 176.93 1rqm h ALA 27 N 2.29 1.01 0.02 0.00 0.00 -1.97 -2.50 119.26 118.09 1rqm h ALA 27 Ca -0.34 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.27 1rqm h ALA 27 Cb 1.27 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1rqm h ALA 27 CO 0.44 -0.01 -1.71 2.35 0.00 0.00 0.00 179.25 180.33 1rqm h TRP 28 N 0.00 0.06 -4.31 0.00 7.01 -2.04 -3.49 115.95 113.19 1rqm h TRP 28 Ca 0.00 -0.05 -0.51 0.00 2.11 0.00 0.00 58.89 60.44 1rqm h TRP 28 Cb 0.02 -0.00 0.11 0.00 -2.10 0.00 0.00 29.16 27.19 1rqm h TRP 28 CO 0.00 1.10 0.34 0.00 -2.79 0.00 0.00 178.44 177.09 1rqm n GLY 30 N -1.67 -0.27 0.19 0.00 0.00 -1.26 -4.64 105.19 97.54 1rqm n GLY 30 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.89 1.61 0.13 -1.96 -0.18 132.00 130.70 1rqm h PRO 31 Ca 0.00 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.31 1rqm h PRO 31 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1rqm h PRO 31 CO 0.00 0.00 0.58 0.00 -0.23 0.00 0.00 178.00 178.35 1rqm n ARG 33 N -4.55 0.17 0.04 0.00 0.63 -0.08 -0.51 116.66 112.36 1rqm n ARG 33 Ca 0.18 0.39 0.11 0.00 -0.92 0.00 0.00 57.85 57.61 1rqm n ARG 33 Cb 0.60 -1.81 -0.10 0.00 0.45 0.00 0.00 32.46 31.60 1rqm n ARG 33 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1rqm n MET 34 N -2.13 0.64 0.14 -0.14 2.81 -0.06 -4.27 117.12 114.11 1rqm n MET 34 Ca 0.02 -0.07 -0.24 0.00 -1.81 0.00 0.00 57.70 55.61 1rqm n MET 34 Cb 0.23 -1.65 -0.15 0.00 -0.71 0.00 0.00 33.22 30.94 1rqm n MET 34 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1rqm h MET 35 N 0.00 0.52 -0.44 0.03 1.85 -0.18 -3.20 114.93 113.51 1rqm h MET 35 Ca -0.00 -0.87 0.09 0.00 -0.61 0.00 0.00 59.70 58.31 1rqm h MET 35 Cb 1.01 0.32 -0.09 0.00 0.43 0.00 0.00 31.60 33.27 1rqm h MET 35 CO 0.00 1.41 -0.24 0.00 -0.40 0.00 0.00 176.91 177.68 1rqm h ALA 36 N 0.22 0.04 -0.05 0.39 0.00 -0.98 0.44 119.26 119.34 1rqm h ALA 36 Ca -0.24 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1rqm h ALA 36 Cb 2.13 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 20.47 1rqm h ALA 36 CO 0.27 -0.60 -0.36 -1.00 0.00 0.00 0.00 179.25 177.55 1rqm h PRO 37 N -0.15 0.09 -0.67 0.00 0.13 -1.75 -0.15 132.00 129.50 1rqm h PRO 37 Ca 0.20 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 1rqm h PRO 37 Cb 0.47 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 1rqm h PRO 37 CO -0.53 0.45 0.25 0.28 -0.23 0.00 0.00 178.00 178.21 1rqm h VAL 38 N 0.08 1.24 0.00 1.56 2.07 -1.10 -2.02 116.25 118.08 1rqm h VAL 38 Ca 0.01 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 1rqm h VAL 38 Cb 0.68 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1rqm h VAL 38 CO 0.05 0.31 -0.35 -0.07 0.02 0.00 0.00 177.57 177.53 1rqm h LEU 39 N 0.98 0.00 -0.13 2.57 4.07 0.38 0.79 115.31 123.96 1rqm h LEU 39 Ca 0.22 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.13 1rqm h LEU 39 Cb 0.22 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.96 1rqm h LEU 39 CO -0.02 0.35 -0.12 -0.08 -1.08 0.00 0.00 178.44 177.49 1rqm h GLU 40 N 0.00 0.31 -0.78 1.13 4.81 -0.53 0.30 114.58 119.82 1rqm h GLU 40 Ca -0.00 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1rqm h GLU 40 Cb 0.77 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 1rqm h GLU 40 CO 0.04 0.69 0.41 1.49 -0.73 0.00 0.00 179.01 180.91 1rqm h GLU 41 N -0.07 1.10 -0.04 1.92 4.81 -1.20 -0.10 114.58 121.00 1rqm h GLU 41 Ca 0.02 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1rqm h GLU 41 Cb 0.63 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1rqm h GLU 41 CO 0.03 0.83 -0.05 0.35 -0.73 0.00 0.00 179.01 179.45 1rqm h PHE 42 N 1.09 -0.11 -0.29 0.92 3.57 -0.79 -0.66 116.94 120.67 1rqm h PHE 42 Ca 0.27 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.81 1rqm h PHE 42 Cb 0.07 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1rqm h PHE 42 CO 0.01 -0.07 0.09 0.00 -2.23 0.00 0.00 178.31 176.10 1rqm h ALA 43 N 0.96 0.32 -0.08 2.41 0.00 0.01 -2.72 119.26 120.16 1rqm h ALA 43 Ca 0.03 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rqm h ALA 43 Cb 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1rqm h ALA 43 CO -0.08 -0.32 -0.02 1.49 0.00 0.00 0.00 179.25 180.32 1rqm h GLU 44 N 0.21 -0.00 -0.07 0.00 4.81 -0.91 -1.44 114.58 117.18 1rqm h GLU 44 Ca 0.13 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1rqm h GLU 44 Cb 0.11 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1rqm h GLU 44 CO -0.15 -0.00 0.13 0.00 -0.73 0.00 0.00 179.01 178.26 1rqm h ALA 45 N 1.08 1.46 -0.39 2.92 0.00 -0.79 -3.02 119.26 120.52 1rqm h ALA 45 Ca 0.04 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 1rqm h ALA 45 Cb 0.07 0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.64 1rqm h ALA 45 CO -0.09 -0.17 -0.62 -2.39 0.00 0.00 0.00 179.25 175.98 1rqm n HIS 46 N -3.47 -1.55 0.27 0.00 1.44 -1.21 -5.01 115.22 105.69 1rqm n HIS 46 Ca -0.01 -2.31 0.17 0.00 -2.01 0.00 0.00 57.72 53.56 1rqm n HIS 46 Cb 0.22 1.01 0.90 0.00 0.12 0.00 0.00 29.99 32.24 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 2.50 1.00 0.00 1.59 0.00 -1.13 -2.95 119.26 120.28 1rqm h ALA 47 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.37 1rqm h ALA 47 Cb 1.21 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1rqm h ALA 47 CO 0.14 0.00 -1.99 -0.40 0.00 0.00 0.00 179.25 177.01 1rqm n ASP 48 N -2.71 1.92 0.25 0.00 5.75 -1.26 -4.58 116.55 115.92 1rqm n ASP 48 Ca -0.02 0.36 0.12 0.00 -0.01 0.00 0.00 54.79 55.24 1rqm n ASP 48 Cb 0.08 -0.88 0.63 0.00 -1.03 0.00 0.00 41.12 39.92 1rqm n ASP 48 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1rqm h LYS 49 N -0.96 0.00 -4.23 0.11 3.64 -1.94 -3.44 116.57 109.76 1rqm h LYS 49 Ca -0.55 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.61 1rqm h LYS 49 Cb 1.50 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 33.10 1rqm h LYS 49 CO -0.32 0.16 -0.72 0.14 -2.27 0.00 0.00 179.45 176.45 1rqm s VAL 50 N -4.01 0.29 -0.79 2.00 -7.23 -1.19 -4.66 120.40 104.83 1rqm s VAL 50 Ca -0.02 -0.94 -0.03 0.00 -1.81 0.00 0.00 61.98 59.19 1rqm s VAL 50 Cb 0.12 -0.40 0.20 0.00 0.56 0.00 0.00 36.38 36.86 1rqm s VAL 50 CO 0.60 -0.42 0.65 0.28 -0.31 0.00 0.00 175.10 175.90 1rqm s THR 51 N -1.35 4.20 0.25 5.32 -1.32 -0.11 -4.75 115.64 117.89 1rqm s THR 51 Ca -0.13 -3.43 -0.30 0.00 -1.21 0.00 0.00 61.69 56.63 1rqm s THR 51 Cb -0.09 -3.65 -0.09 0.00 -1.51 0.00 0.00 72.50 67.15 1rqm s THR 51 CO -0.00 -1.00 1.08 -0.69 -2.21 0.00 0.00 174.62 171.80 1rqm s VAL 52 N -0.76 3.62 0.20 5.08 1.01 -1.26 -1.36 120.40 126.93 1rqm s VAL 52 Ca 0.23 1.58 0.01 0.00 0.00 0.00 0.00 61.98 63.80 1rqm s VAL 52 Cb -0.13 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1rqm s VAL 52 CO -0.09 0.36 0.04 0.00 0.00 0.00 0.00 175.10 175.41 1rqm s ALA 53 N -0.97 1.41 0.02 5.51 0.00 0.27 -0.54 121.76 127.46 1rqm s ALA 53 Ca 0.45 -1.67 0.02 0.00 0.00 0.00 0.00 51.96 50.76 1rqm s ALA 53 Cb -0.31 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 1rqm s ALA 53 CO 0.39 -0.40 -0.06 -1.59 0.00 0.00 0.00 175.76 174.10 1rqm s LYS 54 N -3.98 0.45 -0.06 0.00 -2.85 0.54 -0.63 119.74 113.21 1rqm s LYS 54 Ca 0.29 -0.44 -0.08 0.00 -1.00 0.00 0.00 55.97 54.75 1rqm s LYS 54 Cb 0.07 -0.33 0.02 0.00 -2.06 0.00 0.00 37.83 35.52 1rqm s LYS 54 CO 0.07 0.08 0.20 -0.48 0.10 0.00 0.00 175.35 175.32 1rqm s LEU 55 N -0.78 1.25 -0.75 2.77 0.05 0.41 -0.60 118.68 121.03 1rqm s LEU 55 Ca -0.04 0.27 -0.25 0.00 0.05 0.00 0.00 54.13 54.17 1rqm s LEU 55 Cb -0.06 0.75 0.05 0.00 -2.05 0.00 0.00 46.19 44.88 1rqm s LEU 55 CO 0.00 -0.16 1.19 0.21 -0.55 0.00 0.00 176.35 177.04 1rqm s ASN 56 N -0.29 6.22 0.50 1.48 2.47 -1.26 -2.20 114.94 121.86 1rqm s ASN 56 Ca -0.04 -0.81 0.21 0.00 0.42 0.00 0.00 52.86 52.64 1rqm s ASN 56 Cb -0.03 -2.51 1.30 0.00 -1.45 0.00 0.00 41.25 38.56 1rqm s ASN 56 CO 0.01 -1.64 2.08 1.62 -3.72 0.00 0.00 177.10 175.45 1rqm h VAL 57 N 6.08 0.86 0.00 -5.21 3.04 -0.87 -0.45 116.25 119.69 1rqm h VAL 57 Ca -0.21 -0.43 -0.03 0.00 -1.01 0.00 0.00 66.70 65.02 1rqm h VAL 57 Cb 1.05 1.25 -0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1rqm h VAL 57 CO 1.25 0.11 -0.12 0.44 -1.01 0.00 0.00 177.57 178.25 1rqm h ASP 58 N 0.00 0.00 0.34 3.17 5.19 -1.91 -2.69 116.42 120.52 1rqm h ASP 58 Ca -0.00 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.09 1rqm h ASP 58 Cb 0.24 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 1rqm h ASP 58 CO 0.01 0.12 -1.88 1.21 -3.12 0.00 0.00 179.24 175.58 1rqm n GLU 59 N -3.65 0.66 -3.58 3.56 2.13 -0.20 -4.71 120.64 114.85 1rqm n GLU 59 Ca -0.02 0.24 -0.30 0.00 0.66 0.00 0.00 57.16 57.75 1rqm n GLU 59 Cb 0.24 -1.73 -0.08 0.00 0.27 0.00 0.00 31.44 30.14 1rqm n GLU 59 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1rqm n ASN 60 N -3.10 3.82 0.06 4.31 3.02 -1.02 -4.90 115.26 117.46 1rqm n ASN 60 Ca -0.23 -3.32 0.13 0.00 -0.03 0.00 0.00 54.58 51.13 1rqm n ASN 60 Cb 1.06 -0.81 0.49 0.00 -0.61 0.00 0.00 39.78 39.92 1rqm n ASN 60 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1rqm n PRO 61 N 1.47 0.14 -2.41 3.52 -0.04 -1.23 -4.48 135.00 131.96 1rqm n PRO 61 Ca 0.25 0.14 -0.39 0.00 -0.04 0.00 0.00 63.50 63.46 1rqm n PRO 61 Cb 0.38 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 32.13 1rqm n PRO 61 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1rqm s GLU 62 N -3.07 4.34 0.00 0.54 2.56 -1.26 -0.64 118.70 121.17 1rqm s GLU 62 Ca 0.12 1.77 0.00 0.00 0.00 0.00 0.00 54.97 56.86 1rqm s GLU 62 Cb 0.15 -2.88 0.00 0.00 2.00 0.00 0.00 34.13 33.40 1rqm s GLU 62 CO 0.55 -0.05 0.00 2.41 -0.56 0.00 0.00 175.26 177.60 1rqm n THR 63 N 0.54 0.00 0.06 -1.70 -1.04 -1.26 -4.51 114.28 106.36 1rqm n THR 63 Ca 0.02 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.87 1rqm n THR 63 Cb 0.46 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.88 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 0.02 0.00 12.58 2.02 -1.78 -0.97 112.91 124.78 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 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 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 -5.46 0.02 0.06 4.18 2.88 0.19 -1.52 113.62 113.97 1rqm n SER 65 Ca -0.07 0.50 -0.22 0.00 -1.33 0.00 0.00 58.87 57.76 1rqm n SER 65 Cb 0.40 -0.51 -0.15 0.00 -0.75 0.00 0.00 64.21 63.20 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 0.36 -0.34 -1.46 5.75 -1.62 -3.36 115.11 114.43 1rqm h GLN 66 Ca 0.00 -0.61 0.00 0.00 -0.15 0.00 0.00 58.65 57.89 1rqm h GLN 66 Cb 0.28 0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.05 1rqm h GLN 66 CO 0.00 1.27 0.00 1.19 -2.65 0.00 0.00 178.83 178.64 1rqm n PHE 67 N -3.55 0.44 -2.62 3.99 3.72 -0.44 -4.94 117.46 114.06 1rqm n PHE 67 Ca -0.24 -0.22 -0.12 0.00 -0.05 0.00 0.00 57.45 56.81 1rqm n PHE 67 Cb 1.07 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.63 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 1.26 -0.01 3.57 1.37 0.00 -0.94 -4.89 105.19 105.55 1rqm n GLY 68 Ca 0.17 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.85 3.62 -0.34 -0.61 -1.09 -0.58 -4.70 121.20 114.65 1rqm s ILE 69 Ca 0.15 -0.79 0.16 0.00 -2.23 0.00 0.00 60.65 57.93 1rqm s ILE 69 Cb -0.06 -4.48 0.43 0.00 -1.58 0.00 0.00 42.46 36.77 1rqm s ILE 69 CO 0.18 -1.21 0.97 0.80 -1.23 0.00 0.00 174.94 174.46 1rqm n MET 70 N 8.60 1.12 -2.70 2.79 1.56 -1.26 -4.86 117.12 122.36 1rqm n MET 70 Ca 0.42 -3.05 -0.03 0.00 -0.27 0.00 0.00 57.70 54.77 1rqm n MET 70 Cb 0.47 -1.16 0.11 0.00 2.15 0.00 0.00 33.22 34.80 1rqm n MET 70 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1rqm n SER 71 N -0.06 -1.08 -4.78 6.12 7.64 -1.26 -5.15 113.62 115.05 1rqm n SER 71 Ca 0.10 -2.26 -0.34 0.00 1.01 0.00 0.00 58.87 57.37 1rqm n SER 71 Cb 0.80 0.57 0.01 0.00 -1.01 0.00 0.00 64.21 64.58 1rqm n SER 71 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1rqm s ILE 72 N -0.46 3.32 0.17 0.44 -4.36 -1.26 -3.85 121.20 115.20 1rqm s ILE 72 Ca 0.15 0.74 -0.32 0.00 -0.26 0.00 0.00 60.65 60.96 1rqm s ILE 72 Cb 0.42 -3.26 -0.11 0.00 1.25 0.00 0.00 42.46 40.77 1rqm s ILE 72 CO -0.10 -0.26 1.65 -2.16 0.24 0.00 0.00 174.94 174.31 1rqm s PRO 73 N -3.59 4.17 -0.01 0.37 0.04 -1.26 -4.76 135.00 129.97 1rqm s PRO 73 Ca 0.70 2.47 0.08 0.00 0.04 0.00 0.00 61.00 64.28 1rqm s PRO 73 Cb -0.21 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 1rqm s PRO 73 CO 0.31 -0.69 -0.24 0.99 0.04 0.00 0.00 177.00 177.41 1rqm s THR 74 N 1.41 1.92 -0.15 1.26 2.01 -0.61 -0.54 115.64 120.94 1rqm s THR 74 Ca 0.73 -1.09 0.01 0.00 0.31 0.00 0.00 61.69 61.64 1rqm s THR 74 Cb -0.46 -1.61 0.02 0.00 0.01 0.00 0.00 72.50 70.47 1rqm s THR 74 CO 0.32 0.49 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.37 1rqm s LEU 75 N -0.70 1.78 0.02 4.42 0.20 -0.30 -0.40 118.68 123.71 1rqm s LEU 75 Ca 0.10 -0.52 0.08 0.00 0.69 0.00 0.00 54.13 54.48 1rqm s LEU 75 Cb -0.09 -1.24 -0.02 0.00 -0.43 0.00 0.00 46.19 44.40 1rqm s LEU 75 CO -0.00 -0.04 -0.25 -0.63 -0.29 0.00 0.00 176.35 175.14 1rqm s ILE 76 N 1.41 1.98 -0.23 6.68 1.01 -1.14 -0.06 121.20 130.85 1rqm s ILE 76 Ca 0.04 -1.23 -0.06 0.00 0.00 0.00 0.00 60.65 59.41 1rqm s ILE 76 Cb -0.13 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 1rqm s ILE 76 CO -0.11 0.41 0.02 -0.22 0.00 0.00 0.00 174.94 175.05 1rqm s LEU 77 N -0.97 3.27 0.23 2.97 0.20 -0.58 -1.57 118.68 122.22 1rqm s LEU 77 Ca 0.10 -0.24 0.11 0.00 0.69 0.00 0.00 54.13 54.79 1rqm s LEU 77 Cb -0.10 -1.85 -0.05 0.00 -0.43 0.00 0.00 46.19 43.77 1rqm s LEU 77 CO 0.01 0.00 -0.18 -0.36 -0.29 0.00 0.00 176.35 175.53 1rqm s PHE 78 N 1.38 2.39 0.07 5.38 0.40 0.03 -1.08 117.98 126.55 1rqm s PHE 78 Ca 0.05 -0.31 -0.26 0.00 -0.60 0.00 0.00 56.93 55.80 1rqm s PHE 78 Cb -0.15 -1.12 0.08 0.00 0.51 0.00 0.00 43.02 42.35 1rqm s PHE 78 CO 0.01 0.59 0.73 -1.59 0.70 0.00 0.00 175.22 175.67 1rqm s LYS 79 N -3.08 1.06 -1.23 0.44 -2.85 -0.16 -2.34 119.74 111.57 1rqm s LYS 79 Ca 0.26 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 54.89 1rqm s LYS 79 Cb -0.07 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 1rqm s LYS 79 CO 0.13 -0.45 0.00 0.41 0.10 0.00 0.00 175.35 175.54 1rqm n GLY 80 N -0.20 1.10 1.62 0.59 0.00 0.73 -0.78 105.19 108.26 1rqm n GLY 80 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.15 1.26 3.50 -0.02 0.00 0.43 -4.86 105.19 105.64 1rqm n GLY 81 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1rqm n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rqm s GLU 82 N -0.46 1.81 -0.06 1.61 -1.05 0.04 -4.94 118.70 115.66 1rqm s GLU 82 Ca 0.00 -1.17 -0.29 0.00 -0.15 0.00 0.00 54.97 53.37 1rqm s GLU 82 Cb 0.00 -2.13 -0.02 0.00 -0.44 0.00 0.00 34.13 31.54 1rqm s GLU 82 CO 0.00 0.48 0.94 -1.25 0.95 0.00 0.00 175.26 176.38 1rqm s PRO 83 N -2.15 4.48 0.03 -4.83 0.04 -1.26 -0.99 135.00 130.32 1rqm s PRO 83 Ca 0.18 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.36 1rqm s PRO 83 Cb -0.11 -3.49 -0.27 0.00 0.04 0.00 0.00 34.50 30.67 1rqm s PRO 83 CO 0.10 -0.14 1.08 -0.39 0.04 0.00 0.00 177.00 177.70 1rqm h VAL 84 N 4.92 1.35 -2.51 -0.36 -1.51 -1.45 -3.49 116.25 113.20 1rqm h VAL 84 Ca -0.37 -2.33 0.15 0.00 -1.23 0.00 0.00 66.70 62.92 1rqm h VAL 84 Cb 1.19 2.69 -0.07 0.00 -2.13 0.00 0.00 31.29 32.97 1rqm h VAL 84 CO 0.79 0.70 0.42 -1.59 -1.23 0.00 0.00 177.57 176.66 1rqm s LYS 85 N -3.02 1.35 0.03 5.19 -2.85 -1.24 -5.06 119.74 114.14 1rqm s LYS 85 Ca -0.11 -0.74 0.02 0.00 -1.00 0.00 0.00 55.97 54.14 1rqm s LYS 85 Cb 0.04 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 1rqm s LYS 85 CO 0.89 -0.62 -0.07 -1.14 0.10 0.00 0.00 175.35 174.51 1rqm s GLN 86 N -3.45 0.47 0.15 1.78 0.74 -1.26 -1.53 119.66 116.56 1rqm s GLN 86 Ca 0.12 -0.57 0.10 0.00 0.05 0.00 0.00 55.36 55.06 1rqm s GLN 86 Cb -0.03 -0.30 -0.04 0.00 1.10 0.00 0.00 33.01 33.75 1rqm s GLN 86 CO 0.03 0.06 -0.21 -0.51 -0.55 0.00 0.00 175.29 174.12 1rqm s LEU 87 N -1.12 2.58 0.03 3.68 2.01 0.91 -5.00 118.68 121.76 1rqm s LEU 87 Ca -0.07 -0.68 0.02 0.00 0.01 0.00 0.00 54.13 53.41 1rqm s LEU 87 Cb -0.08 -1.39 -0.02 0.00 0.01 0.00 0.00 46.19 44.71 1rqm s LEU 87 CO 0.00 0.16 -0.06 0.27 1.01 0.00 0.00 176.35 177.73 1rqm s ILE 88 N -1.31 0.40 0.14 -0.59 -0.00 -1.26 -1.15 121.20 117.43 1rqm s ILE 88 Ca 0.18 -0.85 0.00 0.00 -0.00 0.00 0.00 60.65 59.98 1rqm s ILE 88 Cb -0.10 -0.46 0.00 0.00 -0.00 0.00 0.00 42.46 41.90 1rqm s ILE 88 CO 0.10 -0.31 0.00 0.61 -0.00 0.00 0.00 174.94 175.34 1rqm n GLY 89 N 1.81 -2.19 3.56 6.27 0.00 0.30 -4.59 105.19 110.35 1rqm n GLY 89 Ca -0.21 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.43 2.13 0.07 1.61 5.04 -1.26 -4.83 117.35 117.67 1rqm s TYR 90 Ca 0.00 -0.02 -0.22 0.00 -2.44 0.00 0.00 57.07 54.38 1rqm s TYR 90 Cb 0.00 -4.32 -0.06 0.00 0.35 0.00 0.00 41.96 37.93 1rqm s TYR 90 CO 0.00 -1.79 0.67 -0.65 -1.34 0.00 0.00 175.55 172.44 1rqm s GLN 91 N 6.11 4.39 0.89 4.97 -1.52 -1.26 -5.09 119.66 128.14 1rqm s GLN 91 Ca 0.60 0.91 -0.12 0.00 -1.95 0.00 0.00 55.36 54.81 1rqm s GLN 91 Cb -0.03 -3.30 0.12 0.00 -0.22 0.00 0.00 33.01 29.58 1rqm s GLN 91 CO -0.03 0.47 1.10 -1.25 -0.25 0.00 0.00 175.29 175.32 1rqm s PRO 92 N -0.63 1.33 0.24 2.91 0.04 -1.26 -4.71 135.00 132.92 1rqm s PRO 92 Ca 0.33 0.70 -0.09 0.00 0.04 0.00 0.00 61.00 61.98 1rqm s PRO 92 Cb -0.20 -1.83 0.37 0.00 0.04 0.00 0.00 34.50 32.88 1rqm s PRO 92 CO 0.21 -2.16 1.63 -0.22 0.04 0.00 0.00 177.00 176.50 1rqm h LYS 93 N -1.48 0.06 -0.55 4.56 3.11 -1.98 0.15 116.57 120.44 1rqm h LYS 93 Ca -0.50 -0.00 0.10 0.00 -2.81 0.00 0.00 60.65 57.44 1rqm h LYS 93 Cb 1.29 -0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 32.43 1rqm h LYS 93 CO 0.57 0.04 0.12 1.49 -2.81 0.00 0.00 179.45 178.85 1rqm h GLU 94 N 0.06 0.25 -0.26 1.90 4.81 -1.98 0.11 114.58 119.46 1rqm h GLU 94 Ca 0.38 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.42 1rqm h GLU 94 Cb 0.63 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1rqm h GLU 94 CO -0.69 0.16 -0.53 0.37 -0.73 0.00 0.00 179.01 177.59 1rqm h GLN 95 N 0.25 0.76 0.35 1.92 -0.00 -1.37 -0.32 115.11 116.72 1rqm h GLN 95 Ca 0.28 -0.47 -0.02 0.00 -0.00 0.00 0.00 58.65 58.44 1rqm h GLN 95 Cb 0.39 0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.93 1rqm h GLN 95 CO -0.36 1.10 -0.17 1.25 0.00 0.00 0.00 178.83 180.65 1rqm h LEU 96 N 0.59 -0.40 -0.99 -2.39 6.46 -0.55 0.30 115.31 118.33 1rqm h LEU 96 Ca 0.02 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.69 1rqm h LEU 96 Cb 1.12 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 41.10 1rqm h LEU 96 CO 0.11 -0.11 0.65 -0.33 -0.62 0.00 0.00 178.44 178.15 1rqm h GLU 97 N -0.71 1.25 0.17 1.25 4.39 -0.85 -1.96 114.58 118.12 1rqm h GLU 97 Ca -0.05 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1rqm h GLU 97 Cb 0.49 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1rqm h GLU 97 CO 0.08 0.83 -0.08 0.00 -1.16 0.00 0.00 179.01 178.67 1rqm h ALA 98 N 1.39 -0.23 0.00 3.43 0.00 -0.76 0.10 119.26 123.18 1rqm h ALA 98 Ca 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1rqm h ALA 98 Cb -0.06 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1rqm h ALA 98 CO -0.11 -0.56 -0.11 0.37 0.00 0.00 0.00 179.25 178.85 1rqm h GLN 99 N -0.37 0.00 -0.18 0.00 5.75 -0.22 -2.56 115.11 117.53 1rqm h GLN 99 Ca -0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1rqm h GLN 99 Cb 0.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1rqm h GLN 99 CO 0.04 0.11 0.00 1.28 -2.65 0.00 0.00 178.83 177.61 1rqm n LEU 100 N -4.07 2.67 0.04 -2.39 4.32 -0.75 -4.69 117.00 112.13 1rqm n LEU 100 Ca -0.02 -1.34 0.18 0.00 -0.02 0.00 0.00 56.01 54.81 1rqm n LEU 100 Cb 0.19 -0.11 0.68 0.00 -1.62 0.00 0.00 43.42 42.56 1rqm n LEU 100 CO 0.33 0.56 1.16 0.00 -1.22 0.00 0.00 177.39 178.22 1rqm h ALA 101 N 3.06 2.42 0.00 -1.18 0.00 -0.36 -0.52 119.26 122.68 1rqm h ALA 101 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rqm h ALA 101 Cb 0.72 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1rqm h ALA 101 CO 0.00 -0.55 0.00 -0.40 0.00 0.00 0.00 179.25 178.30 1rqm n ASP 102 N -4.40 0.60 -0.03 0.00 5.75 -1.26 -0.34 116.55 116.86 1rqm n ASP 102 Ca 0.08 0.74 0.01 0.00 -0.01 0.00 0.00 54.79 55.61 1rqm n ASP 102 Cb 0.52 -0.84 -0.01 0.00 -1.03 0.00 0.00 41.12 39.77 1rqm n ASP 102 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1rqm n VAL 103 N -2.27 0.00 0.82 2.12 3.14 -0.23 -4.54 118.33 117.37 1rqm n VAL 103 Ca -0.01 -0.46 0.11 0.00 -2.96 0.00 0.00 64.34 61.03 1rqm n VAL 103 Cb 0.08 1.02 0.02 0.00 -1.06 0.00 0.00 33.84 33.90 1rqm n VAL 103 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1rqm n LEU 104 N -0.70 0.70 0.00 6.55 7.99 -0.84 -5.00 117.00 125.71 1rqm n LEU 104 Ca 0.01 -0.20 0.00 0.00 -0.01 0.00 0.00 56.01 55.81 1rqm n LEU 104 Cb 0.05 -0.10 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 1rqm n LEU 104 CO 0.04 0.14 0.10 1.67 -1.51 0.00 0.00 177.39 177.83