#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 1.84 0.31 0.00 2.01 -1.26 -0.77 115.64 117.78 1rqm s THR 2 Ca 0.00 -1.01 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 1rqm s THR 2 Cb 0.00 -1.53 -0.00 0.00 0.01 0.00 0.00 72.50 70.98 1rqm s THR 2 CO 0.00 0.51 0.45 -0.32 -0.69 0.00 0.00 174.62 174.57 1rqm s MET 3 N -0.57 1.78 -0.09 4.92 -2.45 -0.87 -4.99 119.30 117.03 1rqm s MET 3 Ca 0.09 -1.65 -0.06 0.00 -1.25 0.00 0.00 55.69 52.82 1rqm s MET 3 Cb -0.09 0.43 -0.04 0.00 1.25 0.00 0.00 34.83 36.38 1rqm s MET 3 CO -0.01 -0.73 0.16 0.99 1.05 0.00 0.00 175.02 176.48 1rqm s THR 4 N -3.33 5.48 0.31 10.11 2.01 -1.26 -3.46 115.64 125.50 1rqm s THR 4 Ca 0.30 0.15 0.09 0.00 0.31 0.00 0.00 61.69 62.54 1rqm s THR 4 Cb 0.00 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1rqm s THR 4 CO 0.17 0.55 0.04 -0.22 -0.69 0.00 0.00 174.62 174.48 1rqm s LEU 5 N -1.23 3.12 0.00 4.42 2.96 -0.20 -4.86 118.68 122.89 1rqm s LEU 5 Ca 0.18 -0.81 0.00 0.00 -0.22 0.00 0.00 54.13 53.28 1rqm s LEU 5 Cb -0.12 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1rqm s LEU 5 CO 0.07 -0.16 0.00 1.07 -1.32 0.00 0.00 176.35 176.01 1rqm n THR 6 N -0.98 0.00 -0.07 3.68 5.66 -1.26 -4.59 114.28 116.72 1rqm n THR 6 Ca -0.05 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.89 1rqm n THR 6 Cb 0.61 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.37 1rqm n THR 6 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1rqm n ASP 7 N 0.00 1.50 -0.21 1.09 5.75 -1.26 -3.94 116.55 119.48 1rqm n ASP 7 Ca 0.00 0.29 -0.02 0.00 -0.01 0.00 0.00 54.79 55.06 1rqm n ASP 7 Cb 0.00 -0.70 0.09 0.00 -1.03 0.00 0.00 41.12 39.48 1rqm n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rqm h ALA 8 N -1.22 0.80 0.00 2.12 0.00 -1.99 -0.59 119.26 118.38 1rqm h ALA 8 Ca 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1rqm h ALA 8 Cb 0.73 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1rqm h ALA 8 CO 0.00 -0.06 -0.28 -0.97 0.00 0.00 0.00 179.25 177.94 1rqm h ASN 9 N 0.55 0.00 -0.03 0.00 -1.24 -1.95 -0.26 115.58 112.64 1rqm h ASN 9 Ca 0.28 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.27 1rqm h ASN 9 Cb 0.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.29 1rqm h ASN 9 CO -0.21 0.28 -0.07 0.15 -1.29 0.00 0.00 177.43 176.29 1rqm h PHE 10 N 0.00 0.13 -0.22 0.67 3.57 -1.28 0.79 116.94 120.59 1rqm h PHE 10 Ca -0.00 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 1rqm h PHE 10 Cb 0.83 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1rqm h PHE 10 CO 0.00 0.65 -0.07 1.96 -2.23 0.00 0.00 178.31 178.62 1rqm h GLN 11 N -0.43 0.35 0.02 1.11 4.20 -1.01 -0.82 115.11 118.54 1rqm h GLN 11 Ca 0.00 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1rqm h GLN 11 Cb 0.64 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1rqm h GLN 11 CO 0.01 0.44 -0.01 1.96 -0.67 0.00 0.00 178.83 180.56 1rqm h GLN 12 N 0.33 -0.03 -0.40 1.46 1.08 -1.05 -3.32 115.11 113.19 1rqm h GLN 12 Ca 0.07 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.34 1rqm h GLN 12 Cb 0.35 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.73 1rqm h GLN 12 CO 0.02 0.21 0.06 0.00 -0.95 0.00 0.00 178.83 178.17 1rqm h ALA 13 N 0.69 0.41 0.00 3.87 0.00 0.09 -1.55 119.26 122.77 1rqm h ALA 13 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rqm h ALA 13 Cb 0.26 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rqm h ALA 13 CO 0.01 -0.34 0.00 0.44 0.00 0.00 0.00 179.25 179.35 1rqm n ILE 14 N -5.12 0.34 -0.16 0.00 -5.35 -0.40 -2.94 119.36 105.72 1rqm n ILE 14 Ca 0.03 0.08 0.24 0.00 -0.27 0.00 0.00 62.75 62.83 1rqm n ILE 14 Cb 0.19 -1.01 0.65 0.00 -1.74 0.00 0.00 39.64 37.73 1rqm n ILE 14 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 1rqm h GLN 15 N 0.00 0.13 0.00 6.28 3.07 -1.39 0.16 115.11 123.36 1rqm h GLN 15 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1rqm h GLN 15 Cb 0.01 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.55 1rqm h GLN 15 CO 0.00 0.09 0.00 0.41 0.09 0.00 0.00 178.83 179.42 1rqm n GLY 16 N -1.63 0.92 5.00 0.06 0.00 -1.15 -4.08 105.19 104.30 1rqm n GLY 16 Ca 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1rqm n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rqm n ASP 17 N 5.55 0.00 -4.87 1.61 2.03 -0.19 -4.85 116.55 115.84 1rqm n ASP 17 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1rqm n ASP 17 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 1rqm n ASP 17 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1rqm s GLY 18 N 0.00 1.66 -0.33 0.27 0.00 -1.26 -4.97 107.32 102.68 1rqm s GLY 18 Ca 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 44.72 44.34 1rqm s GLY 18 CO 0.00 0.18 2.14 2.56 0.00 0.00 0.00 173.10 177.98 1rqm s PRO 19 N -5.19 2.91 -0.48 2.90 0.04 -1.26 -4.51 135.00 129.41 1rqm s PRO 19 Ca 0.56 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 1rqm s PRO 19 Cb -0.11 -4.38 0.05 0.00 0.04 0.00 0.00 34.50 30.09 1rqm s PRO 19 CO 0.54 -2.36 0.58 0.08 0.04 0.00 0.00 177.00 175.88 1rqm s VAL 20 N 8.92 4.92 0.39 -0.36 1.01 0.15 -0.69 120.40 134.74 1rqm s VAL 20 Ca 0.93 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 1rqm s VAL 20 Cb -0.25 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 31.82 1rqm s VAL 20 CO 0.32 -0.69 0.77 -0.76 0.00 0.00 0.00 175.10 174.73 1rqm s LEU 21 N 2.53 3.88 0.12 3.92 1.02 0.18 -0.09 118.68 130.24 1rqm s LEU 21 Ca 0.15 1.18 0.09 0.00 0.02 0.00 0.00 54.13 55.57 1rqm s LEU 21 Cb -0.18 -4.04 -0.04 0.00 0.02 0.00 0.00 46.19 41.95 1rqm s LEU 21 CO 0.13 -0.36 -0.21 0.54 0.02 0.00 0.00 176.35 176.47 1rqm s VAL 22 N -2.28 1.82 -0.39 -1.59 0.11 -0.78 -3.64 120.40 113.65 1rqm s VAL 22 Ca 0.52 -1.64 -0.05 0.00 -2.93 0.00 0.00 61.98 57.88 1rqm s VAL 22 Cb -0.10 -1.67 0.08 0.00 -1.53 0.00 0.00 36.38 33.15 1rqm s VAL 22 CO 0.28 -0.08 0.18 -0.62 -3.33 0.00 0.00 175.10 171.53 1rqm s ASP 23 N -2.06 5.33 -0.48 3.54 2.15 0.40 -3.78 116.67 121.77 1rqm s ASP 23 Ca 0.09 -1.61 -0.22 0.00 0.43 0.00 0.00 52.55 51.24 1rqm s ASP 23 Cb -0.09 -1.87 0.03 0.00 -0.30 0.00 0.00 42.92 40.69 1rqm s ASP 23 CO 0.05 -0.47 0.78 -0.36 -0.17 0.00 0.00 175.17 175.00 1rqm s PHE 24 N 1.29 2.96 0.27 -5.34 0.08 0.14 -0.70 117.98 116.68 1rqm s PHE 24 Ca 0.03 -0.03 0.03 0.00 0.12 0.00 0.00 56.93 57.08 1rqm s PHE 24 Cb -0.22 -3.70 -0.01 0.00 -0.57 0.00 0.00 43.02 38.52 1rqm s PHE 24 CO -0.01 -1.07 0.11 -2.67 -0.10 0.00 0.00 175.22 171.48 1rqm n TRP 25 N 6.76 0.03 -3.87 0.36 4.27 -1.03 -1.18 117.44 122.79 1rqm n TRP 25 Ca 0.00 -1.77 -0.07 0.00 -3.89 0.00 0.00 57.50 51.77 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 -2.76 -1.05 0.32 -1.67 0.00 -1.26 -0.23 121.76 115.11 1rqm s ALA 26 Ca 0.15 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1rqm s ALA 26 Cb 0.01 0.85 0.55 0.00 0.00 0.00 0.00 23.12 24.53 1rqm s ALA 26 CO 0.11 -1.01 1.88 0.00 0.00 0.00 0.00 175.76 176.73 1rqm h ALA 27 N 2.02 1.35 0.00 0.00 0.00 -1.99 -3.33 119.26 117.32 1rqm h ALA 27 Ca -0.21 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 1rqm h ALA 27 Cb 1.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1rqm h ALA 27 CO 0.27 0.46 -1.49 -2.67 0.00 0.00 0.00 179.25 175.81 1rqm n TRP 28 N -4.31 0.74 -0.40 0.00 2.14 -1.26 -4.73 117.44 109.63 1rqm n TRP 28 Ca 0.03 0.24 -0.00 0.00 2.07 0.00 0.00 57.50 59.84 1rqm n TRP 28 Cb 0.21 -0.96 -0.00 0.00 -0.81 0.00 0.00 31.31 29.74 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 1.63 0.60 0.33 0.00 0.00 -1.26 -1.40 105.19 105.09 1rqm n GLY 30 Ca 0.01 0.80 0.18 0.00 0.00 0.00 0.00 46.02 47.00 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 -0.63 1.61 0.13 -1.94 0.25 132.00 131.42 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 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1rqm h PRO 31 CO 0.00 0.00 0.42 0.00 -0.23 0.00 0.00 178.00 178.19 1rqm n ARG 33 N -4.48 0.11 -0.00 0.00 3.00 0.08 -0.57 116.66 114.80 1rqm n ARG 33 Ca 0.10 0.18 0.07 0.00 -0.00 0.00 0.00 57.85 58.19 1rqm n ARG 33 Cb 0.31 -1.50 -0.09 0.00 0.00 0.00 0.00 32.46 31.18 1rqm n ARG 33 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1rqm n MET 34 N -1.40 1.95 -0.02 -0.14 2.81 -0.22 -4.40 117.12 115.71 1rqm n MET 34 Ca 0.06 -0.03 -0.21 0.00 -1.81 0.00 0.00 57.70 55.71 1rqm n MET 34 Cb 0.16 -1.20 -0.13 0.00 -0.71 0.00 0.00 33.22 31.34 1rqm n MET 34 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1rqm n MET 35 N -1.48 0.73 -0.01 0.03 0.00 -0.65 -3.72 117.12 112.03 1rqm n MET 35 Ca 0.01 0.25 -0.11 0.00 -0.00 0.00 0.00 57.70 57.85 1rqm n MET 35 Cb 0.25 -1.67 -0.05 0.00 0.00 0.00 0.00 33.22 31.75 1rqm n MET 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1rqm h ALA 36 N 0.03 -0.49 0.00 -5.12 0.00 -1.08 0.18 119.26 112.79 1rqm h ALA 36 Ca -0.45 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1rqm h ALA 36 Cb 1.98 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 20.50 1rqm h ALA 36 CO 0.04 -0.87 -0.09 -1.00 0.00 0.00 0.00 179.25 177.34 1rqm h PRO 37 N -0.44 0.00 -0.17 0.00 0.13 -1.77 0.13 132.00 129.89 1rqm h PRO 37 Ca 0.09 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.17 1rqm h PRO 37 Cb 0.59 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 1rqm h PRO 37 CO -0.40 0.09 -0.10 0.28 -0.23 0.00 0.00 178.00 177.64 1rqm h VAL 38 N 0.00 1.32 -0.58 1.56 2.07 -1.39 -3.24 116.25 115.99 1rqm h VAL 38 Ca -0.00 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1rqm h VAL 38 Cb 0.25 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1rqm h VAL 38 CO 0.01 0.35 0.32 -0.07 0.02 0.00 0.00 177.57 178.20 1rqm h LEU 39 N 0.03 0.71 0.00 2.57 4.07 0.64 0.04 115.31 123.36 1rqm h LEU 39 Ca 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1rqm h LEU 39 Cb 0.60 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1rqm h LEU 39 CO 0.03 0.57 0.00 -0.62 -1.08 0.00 0.00 178.44 177.34 1rqm n GLU 40 N -4.39 0.11 -0.07 1.13 4.71 0.33 -0.42 120.64 122.04 1rqm n GLU 40 Ca 0.05 0.21 -0.15 0.00 -0.01 0.00 0.00 57.16 57.26 1rqm n GLU 40 Cb 0.10 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 28.98 1rqm n GLU 40 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1rqm n GLU 41 N -1.38 0.30 -0.23 3.49 0.00 -0.92 -4.65 120.64 117.24 1rqm n GLU 41 Ca 0.05 0.13 -0.02 0.00 0.00 0.00 0.00 57.16 57.33 1rqm n GLU 41 Cb 0.13 -1.00 0.05 0.00 0.00 0.00 0.00 31.44 30.62 1rqm n GLU 41 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1rqm h PHE 42 N -0.51 -0.62 0.09 4.31 3.57 -0.76 -0.25 116.94 122.77 1rqm h PHE 42 Ca -0.34 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.24 1rqm h PHE 42 Cb 1.26 0.38 -0.03 0.00 2.79 0.00 0.00 35.95 40.34 1rqm h PHE 42 CO -0.06 -0.34 -0.37 0.00 -2.23 0.00 0.00 178.31 175.31 1rqm h ALA 43 N 1.42 -0.87 -0.34 2.41 0.00 -1.00 -2.87 119.26 118.02 1rqm h ALA 43 Ca 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1rqm h ALA 43 Cb 0.54 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1rqm h ALA 43 CO -0.73 -0.96 0.12 0.93 0.00 0.00 0.00 179.25 178.61 1rqm h GLU 44 N -0.53 0.47 0.00 0.00 3.07 -1.70 -1.62 114.58 114.28 1rqm h GLU 44 Ca -0.01 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1rqm h GLU 44 Cb 0.53 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1rqm h GLU 44 CO -0.20 0.41 0.11 0.00 -1.40 0.00 0.00 179.01 177.93 1rqm h ALA 45 N 1.66 1.10 -0.88 3.43 0.00 -0.82 -1.84 119.26 121.91 1rqm h ALA 45 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.69 1rqm h ALA 45 Cb 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.53 1rqm h ALA 45 CO -0.01 -0.10 -1.16 -2.39 0.00 0.00 0.00 179.25 175.59 1rqm n HIS 46 N -2.92 1.04 -0.34 0.00 -0.00 -0.68 -5.02 115.22 107.29 1rqm n HIS 46 Ca -0.03 -2.66 0.22 0.00 -0.00 0.00 0.00 57.72 55.25 1rqm n HIS 46 Cb 0.17 -0.29 0.48 0.00 -0.00 0.00 0.00 29.99 30.35 1rqm n HIS 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1rqm h ALA 47 N 2.90 2.14 0.00 1.59 0.00 -0.54 -2.97 119.26 122.38 1rqm h ALA 47 Ca -0.11 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rqm h ALA 47 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1rqm h ALA 47 CO 0.43 -0.59 0.00 -3.47 0.00 0.00 0.00 179.25 175.63 1rqm n ASP 48 N -4.71 0.64 -0.09 0.00 2.03 -1.26 -0.49 116.55 112.66 1rqm n ASP 48 Ca 0.27 -1.16 -0.04 0.00 0.52 0.00 0.00 54.79 54.38 1rqm n ASP 48 Cb 0.88 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 41.45 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 0.76 -5.92 -0.67 3.64 -1.92 -3.42 116.57 109.03 1rqm h LYS 49 Ca 0.00 -0.21 -0.57 0.00 -1.27 0.00 0.00 60.65 58.60 1rqm h LYS 49 Cb 0.42 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1rqm h LYS 49 CO 0.00 0.79 -0.39 0.14 -2.27 0.00 0.00 179.45 177.72 1rqm s VAL 50 N -4.92 2.02 -0.04 2.00 -7.23 -1.18 -4.50 120.40 106.54 1rqm s VAL 50 Ca -0.09 -1.55 0.03 0.00 -1.81 0.00 0.00 61.98 58.56 1rqm s VAL 50 Cb 0.14 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1rqm s VAL 50 CO 0.81 0.00 -0.14 0.28 -0.31 0.00 0.00 175.10 175.74 1rqm s THR 51 N -2.67 1.18 0.10 5.32 -1.32 0.13 -0.72 115.64 117.66 1rqm s THR 51 Ca 0.37 -0.57 0.01 0.00 -1.21 0.00 0.00 61.69 60.29 1rqm s THR 51 Cb -0.00 -1.03 -0.04 0.00 -1.51 0.00 0.00 72.50 69.91 1rqm s THR 51 CO 0.22 0.35 -0.04 0.54 -2.21 0.00 0.00 174.62 173.48 1rqm s VAL 52 N 0.18 0.53 0.13 5.08 0.11 0.05 -0.64 120.40 125.84 1rqm s VAL 52 Ca -0.05 -1.91 -0.25 0.00 -2.93 0.00 0.00 61.98 56.84 1rqm s VAL 52 Cb -0.11 -1.74 0.07 0.00 -1.53 0.00 0.00 36.38 33.07 1rqm s VAL 52 CO 0.02 -0.81 0.87 0.00 -3.33 0.00 0.00 175.10 171.84 1rqm s ALA 53 N -3.73 -1.63 0.09 1.54 0.00 -1.24 -2.04 121.76 114.75 1rqm s ALA 53 Ca 0.13 0.33 0.09 0.00 0.00 0.00 0.00 51.96 52.51 1rqm s ALA 53 Cb 0.06 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1rqm s ALA 53 CO -0.04 -0.92 -0.23 -1.59 0.00 0.00 0.00 175.76 172.98 1rqm s LYS 54 N -3.39 1.71 -0.01 0.00 -2.85 -1.23 -0.45 119.74 113.53 1rqm s LYS 54 Ca 0.09 -1.19 0.01 0.00 -1.00 0.00 0.00 55.97 53.88 1rqm s LYS 54 Cb -0.02 -2.03 0.01 0.00 -2.06 0.00 0.00 37.83 33.73 1rqm s LYS 54 CO -0.02 0.49 -0.01 -0.48 0.10 0.00 0.00 175.35 175.43 1rqm s LEU 55 N -1.83 1.75 -0.65 2.77 2.34 0.12 -1.03 118.68 122.15 1rqm s LEU 55 Ca 0.15 -0.03 -0.27 0.00 0.06 0.00 0.00 54.13 54.04 1rqm s LEU 55 Cb -0.10 -0.12 0.01 0.00 -0.56 0.00 0.00 46.19 45.41 1rqm s LEU 55 CO 0.06 -0.02 1.54 0.21 -1.06 0.00 0.00 176.35 177.09 1rqm s ASN 56 N 0.27 5.81 0.57 1.48 2.47 -1.26 -2.45 114.94 121.82 1rqm s ASN 56 Ca -0.02 0.02 0.28 0.00 0.42 0.00 0.00 52.86 53.56 1rqm s ASN 56 Cb -0.04 -2.55 1.69 0.00 -1.45 0.00 0.00 41.25 38.90 1rqm s ASN 56 CO -0.01 -2.02 2.19 1.62 -3.72 0.00 0.00 177.10 175.17 1rqm h VAL 57 N 6.44 0.56 0.00 -5.21 3.04 -0.81 0.13 116.25 120.40 1rqm h VAL 57 Ca -0.27 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 1rqm h VAL 57 Cb 1.10 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1rqm h VAL 57 CO 1.23 0.04 0.00 -0.78 -1.01 0.00 0.00 177.57 177.05 1rqm h ASP 58 N 0.00 0.00 0.00 3.17 3.58 -1.90 -3.31 116.42 117.95 1rqm h ASP 58 Ca -0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1rqm h ASP 58 Cb 0.11 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 1rqm h ASP 58 CO 0.01 0.00 -1.38 1.21 -2.88 0.00 0.00 179.24 176.20 1rqm n GLU 59 N -2.90 0.16 -3.76 0.28 2.13 -0.52 -4.86 120.64 111.16 1rqm n GLU 59 Ca 0.02 0.05 -0.33 0.00 0.66 0.00 0.00 57.16 57.56 1rqm n GLU 59 Cb 0.35 -0.99 -0.09 0.00 0.27 0.00 0.00 31.44 30.98 1rqm n GLU 59 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1rqm s ASN 60 N -4.99 5.38 0.01 4.31 0.01 0.35 -4.99 114.94 115.01 1rqm s ASN 60 Ca -0.09 -3.65 -0.06 0.00 -0.71 0.00 0.00 52.86 48.35 1rqm s ASN 60 Cb 0.03 -1.78 -0.03 0.00 0.41 0.00 0.00 41.25 39.87 1rqm s ASN 60 CO 0.14 -0.17 1.03 1.55 -1.51 0.00 0.00 177.10 178.14 1rqm h PRO 61 N 5.90 -0.20 -2.91 -0.60 0.13 -1.83 -3.40 132.00 129.09 1rqm h PRO 61 Ca 0.12 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1rqm h PRO 61 Cb 0.81 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1rqm h PRO 61 CO 0.78 -0.14 -0.03 -1.91 -0.23 0.00 0.00 178.00 176.47 1rqm n GLU 62 N -2.60 -0.57 -0.11 0.86 4.07 -1.26 -2.59 120.64 118.44 1rqm n GLU 62 Ca -0.03 0.56 0.00 0.00 -0.06 0.00 0.00 57.16 57.64 1rqm n GLU 62 Cb 0.08 -0.39 0.00 0.00 -0.06 0.00 0.00 31.44 31.08 1rqm n GLU 62 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1rqm n THR 63 N 1.66 0.00 -0.17 6.31 -1.04 -1.26 -4.79 114.28 114.99 1rqm n THR 63 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1rqm n THR 63 Cb 0.02 -0.05 0.04 0.00 -1.82 0.00 0.00 70.33 68.52 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 0.46 0.00 12.58 2.02 -1.87 -0.42 112.91 125.69 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 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 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 -5.38 0.00 -0.07 4.18 2.88 -1.26 -0.56 113.62 113.41 1rqm n SER 65 Ca 0.05 -0.19 -0.11 0.00 -1.33 0.00 0.00 58.87 57.29 1rqm n SER 65 Cb 0.28 -0.18 -0.15 0.00 -0.75 0.00 0.00 64.21 63.41 1rqm n SER 65 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1rqm n GLN 66 N -1.18 0.67 -0.01 -1.46 -0.06 -0.20 -4.56 117.38 110.58 1rqm n GLN 66 Ca 0.10 0.14 0.06 0.00 -2.00 0.00 0.00 57.00 55.30 1rqm n GLN 66 Cb 0.11 -1.64 0.06 0.00 -4.06 0.00 0.00 30.24 24.71 1rqm n GLN 66 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1rqm n PHE 67 N -2.98 0.04 -2.47 3.69 3.01 -1.00 -5.01 117.46 112.74 1rqm n PHE 67 Ca -0.29 -0.04 -0.05 0.00 1.01 0.00 0.00 57.45 58.09 1rqm n PHE 67 Cb 1.09 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.57 1rqm n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rqm n GLY 68 N 0.64 0.46 2.04 1.37 0.00 0.27 -4.92 105.19 105.05 1rqm n GLY 68 Ca 0.07 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 1rqm n GLY 68 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rqm n ILE 69 N -3.43 2.97 1.45 -0.61 2.08 -0.63 -3.91 119.36 117.28 1rqm n ILE 69 Ca -0.02 -1.69 0.12 0.00 0.56 0.00 0.00 62.75 61.72 1rqm n ILE 69 Cb 0.52 -1.87 0.49 0.00 -0.75 0.00 0.00 39.64 38.04 1rqm n ILE 69 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 1rqm n MET 70 N 2.07 1.59 0.00 0.38 1.56 -1.26 -4.50 117.12 116.95 1rqm n MET 70 Ca 0.40 -0.88 0.00 0.00 -0.27 0.00 0.00 57.70 56.95 1rqm n MET 70 Cb 0.81 -1.43 0.00 0.00 2.15 0.00 0.00 33.22 34.75 1rqm n MET 70 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1rqm n SER 71 N 0.08 0.25 -4.76 6.12 3.41 -1.25 -4.94 113.62 112.53 1rqm n SER 71 Ca 0.18 -1.28 -0.38 0.00 -0.26 0.00 0.00 58.87 57.12 1rqm n SER 71 Cb 0.30 -0.13 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 1rqm n SER 71 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1rqm s ILE 72 N -1.60 2.57 0.19 -1.33 -0.00 -1.26 -3.63 121.20 116.14 1rqm s ILE 72 Ca 0.00 0.47 -0.31 0.00 -0.00 0.00 0.00 60.65 60.81 1rqm s ILE 72 Cb 0.00 -3.25 -0.10 0.00 -0.00 0.00 0.00 42.46 39.11 1rqm s ILE 72 CO 0.00 0.03 1.47 -2.16 -0.00 0.00 0.00 174.94 174.28 1rqm s PRO 73 N -2.57 4.26 -0.00 0.37 0.04 -1.26 -4.76 135.00 131.09 1rqm s PRO 73 Ca 0.63 2.26 0.04 0.00 0.04 0.00 0.00 61.00 63.97 1rqm s PRO 73 Cb -0.36 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.01 1rqm s PRO 73 CO 0.45 -0.48 -0.11 0.99 0.04 0.00 0.00 177.00 177.88 1rqm s THR 74 N 0.66 0.89 -0.31 1.26 2.01 -0.32 -0.87 115.64 118.96 1rqm s THR 74 Ca 0.64 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 1rqm s THR 74 Cb -0.41 -0.76 0.10 0.00 0.01 0.00 0.00 72.50 71.44 1rqm s THR 74 CO 0.36 0.19 0.12 -0.22 -0.69 0.00 0.00 174.62 174.39 1rqm s LEU 75 N -0.42 1.44 0.20 4.42 0.20 -0.12 -0.69 118.68 123.71 1rqm s LEU 75 Ca 0.03 -1.56 -0.16 0.00 0.69 0.00 0.00 54.13 53.13 1rqm s LEU 75 Cb -0.05 -0.62 -0.08 0.00 -0.43 0.00 0.00 46.19 45.02 1rqm s LEU 75 CO -0.00 -0.41 0.63 -0.63 -0.29 0.00 0.00 176.35 175.64 1rqm s ILE 76 N 1.74 4.75 -0.39 6.68 1.01 -1.25 -0.28 121.20 133.45 1rqm s ILE 76 Ca 0.10 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1rqm s ILE 76 Cb -0.17 -3.75 0.11 0.00 0.01 0.00 0.00 42.46 38.66 1rqm s ILE 76 CO -0.28 0.14 0.15 -0.22 0.00 0.00 0.00 174.94 174.74 1rqm s LEU 77 N -2.19 5.01 0.32 2.97 0.20 0.29 -1.86 118.68 123.42 1rqm s LEU 77 Ca 0.43 -2.16 0.02 0.00 0.69 0.00 0.00 54.13 53.11 1rqm s LEU 77 Cb -0.14 -1.74 -0.03 0.00 -0.43 0.00 0.00 46.19 43.85 1rqm s LEU 77 CO 0.20 -0.45 0.49 -0.36 -0.29 0.00 0.00 176.35 175.94 1rqm s PHE 78 N 0.93 3.43 -0.30 5.38 0.08 0.87 -0.27 117.98 128.10 1rqm s PHE 78 Ca 0.10 0.18 0.13 0.00 0.12 0.00 0.00 56.93 57.46 1rqm s PHE 78 Cb -0.21 -1.84 0.38 0.00 -0.57 0.00 0.00 43.02 40.78 1rqm s PHE 78 CO -0.06 0.17 1.45 0.36 -0.10 0.00 0.00 175.22 177.04 1rqm n LYS 79 N -1.68 1.27 0.00 0.44 2.85 -0.77 -0.67 118.16 119.60 1rqm n LYS 79 Ca -0.05 -1.43 0.00 0.00 -1.05 0.00 0.00 58.31 55.78 1rqm n LYS 79 Cb 0.57 0.23 0.00 0.00 -0.65 0.00 0.00 35.03 35.17 1rqm n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1rqm n GLY 80 N -1.31 -0.42 4.43 2.58 0.00 -1.08 -1.02 105.19 108.37 1rqm n GLY 80 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 1.55 3.74 -0.02 0.00 0.54 -4.95 105.19 106.05 1rqm n GLY 81 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 4.29 -0.07 1.61 2.12 -1.26 -5.05 118.70 120.34 1rqm s GLU 82 Ca 0.00 0.47 -0.30 0.00 0.36 0.00 0.00 54.97 55.51 1rqm s GLU 82 Cb 0.00 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 1rqm s GLU 82 CO 0.00 0.24 1.05 -1.25 -0.54 0.00 0.00 175.26 174.76 1rqm s PRO 83 N 0.33 4.44 0.10 4.30 0.04 -1.26 -1.85 135.00 141.10 1rqm s PRO 83 Ca 0.26 1.47 -0.10 0.00 0.04 0.00 0.00 61.00 62.67 1rqm s PRO 83 Cb -0.16 -3.52 -0.18 0.00 0.04 0.00 0.00 34.50 30.69 1rqm s PRO 83 CO 0.11 -0.28 1.24 -0.39 0.04 0.00 0.00 177.00 177.72 1rqm h VAL 84 N 4.99 1.32 -3.49 -0.36 -1.51 -0.96 -3.48 116.25 112.76 1rqm h VAL 84 Ca -0.34 -2.31 -0.05 0.00 -1.23 0.00 0.00 66.70 62.77 1rqm h VAL 84 Cb 1.17 2.38 -0.07 0.00 -2.13 0.00 0.00 31.29 32.64 1rqm h VAL 84 CO 0.84 0.71 -0.00 -1.59 -1.23 0.00 0.00 177.57 176.29 1rqm s LYS 85 N -3.32 1.73 -0.01 5.19 -2.85 -1.13 -5.04 119.74 114.31 1rqm s LYS 85 Ca -0.08 -1.28 0.01 0.00 -1.00 0.00 0.00 55.97 53.61 1rqm s LYS 85 Cb 0.08 0.52 0.01 0.00 -2.06 0.00 0.00 37.83 36.37 1rqm s LYS 85 CO 0.90 -0.75 -0.01 -1.14 0.10 0.00 0.00 175.35 174.45 1rqm s GLN 86 N -3.68 0.19 -0.05 1.78 0.74 -1.26 -0.55 119.66 116.84 1rqm s GLN 86 Ca 0.20 -0.01 0.01 0.00 0.05 0.00 0.00 55.36 55.62 1rqm s GLN 86 Cb -0.02 -0.27 -0.03 0.00 1.10 0.00 0.00 33.01 33.79 1rqm s GLN 86 CO 0.10 -0.03 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.25 1rqm s LEU 87 N 0.36 3.21 0.03 3.68 2.01 0.61 -4.99 118.68 123.59 1rqm s LEU 87 Ca -0.03 -0.04 -0.00 0.00 0.01 0.00 0.00 54.13 54.06 1rqm s LEU 87 Cb -0.06 -1.74 -0.02 0.00 0.01 0.00 0.00 46.19 44.37 1rqm s LEU 87 CO -0.01 0.34 -0.03 0.27 1.01 0.00 0.00 176.35 177.93 1rqm s ILE 88 N -0.87 0.16 0.26 -0.59 -4.36 -1.26 -0.95 121.20 113.58 1rqm s ILE 88 Ca 0.14 -1.13 0.00 0.00 -0.26 0.00 0.00 60.65 59.40 1rqm s ILE 88 Cb -0.11 -0.57 0.00 0.00 1.25 0.00 0.00 42.46 43.03 1rqm s ILE 88 CO 0.03 -0.61 0.00 0.61 0.24 0.00 0.00 174.94 175.21 1rqm n GLY 89 N 1.25 -2.44 3.16 6.27 0.00 -0.04 -4.53 105.19 108.86 1rqm n GLY 89 Ca -0.22 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 1rqm n GLY 89 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rqm n TYR 90 N -3.37 4.09 -2.45 1.61 9.36 -1.26 -4.76 117.16 120.38 1rqm n TYR 90 Ca -0.03 -2.94 -0.43 0.00 3.32 0.00 0.00 57.90 57.83 1rqm n TYR 90 Cb 0.34 -2.51 -0.02 0.00 -0.63 0.00 0.00 39.34 36.52 1rqm n TYR 90 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1rqm s GLN 91 N 3.26 4.30 1.06 2.98 -1.52 -1.26 -5.04 119.66 123.43 1rqm s GLN 91 Ca 0.49 1.66 -0.15 0.00 -1.95 0.00 0.00 55.36 55.41 1rqm s GLN 91 Cb 0.08 -3.65 0.22 0.00 -0.22 0.00 0.00 33.01 29.44 1rqm s GLN 91 CO -0.00 -0.56 1.13 -1.25 -0.25 0.00 0.00 175.29 174.36 1rqm s PRO 92 N 2.78 -0.08 0.10 2.91 0.04 -1.26 -4.44 135.00 135.06 1rqm s PRO 92 Ca 0.55 0.14 -0.17 0.00 0.04 0.00 0.00 61.00 61.57 1rqm s PRO 92 Cb -0.23 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1rqm s PRO 92 CO 0.18 -2.99 0.91 1.17 0.04 0.00 0.00 177.00 176.31 1rqm n LYS 93 N -4.29 -0.24 -0.11 4.56 3.00 -1.26 -0.97 118.16 118.85 1rqm n LYS 93 Ca 0.09 0.89 -0.05 0.00 -0.00 0.00 0.00 58.31 59.25 1rqm n LYS 93 Cb 0.59 -1.32 0.01 0.00 0.00 0.00 0.00 35.03 34.31 1rqm n LYS 93 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1rqm h GLU 94 N 0.00 0.02 -0.09 1.64 4.81 -1.97 0.38 114.58 119.36 1rqm h GLU 94 Ca 0.11 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.15 1rqm h GLU 94 Cb 0.26 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.65 1rqm h GLU 94 CO -0.56 0.01 -0.69 1.96 -0.73 0.00 0.00 179.01 179.00 1rqm h GLN 95 N 0.02 0.62 0.75 1.92 7.50 -1.38 -1.14 115.11 123.40 1rqm h GLN 95 Ca 0.18 -0.55 -0.04 0.00 0.50 0.00 0.00 58.65 58.74 1rqm h GLN 95 Cb 0.27 0.13 0.01 0.00 0.05 0.00 0.00 27.48 27.94 1rqm h GLN 95 CO -0.37 1.17 -0.37 1.25 -1.50 0.00 0.00 178.83 179.01 1rqm h LEU 96 N 0.26 -0.88 -1.67 1.46 6.46 -0.73 0.17 115.31 120.37 1rqm h LEU 96 Ca -0.06 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 1rqm h LEU 96 Cb 1.34 0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 41.50 1rqm h LEU 96 CO 0.14 -0.62 -0.18 -0.08 -0.62 0.00 0.00 178.44 177.08 1rqm h GLU 97 N -1.02 0.00 0.13 1.25 4.81 -0.36 0.21 114.58 119.59 1rqm h GLU 97 Ca -0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1rqm h GLU 97 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1rqm h GLU 97 CO 0.16 0.18 -0.06 0.00 -0.73 0.00 0.00 179.01 178.56 1rqm h ALA 98 N 1.82 -0.17 -1.01 2.92 0.00 -1.12 -1.37 119.26 120.33 1rqm h ALA 98 Ca -0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1rqm h ALA 98 Cb 0.44 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1rqm h ALA 98 CO 0.02 -0.35 0.67 0.37 0.00 0.00 0.00 179.25 179.96 1rqm h GLN 99 N -0.67 1.31 -0.00 0.00 5.75 0.04 -1.78 115.11 119.76 1rqm h GLN 99 Ca -0.02 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1rqm h GLN 99 Cb 0.50 -0.30 0.00 0.00 1.07 0.00 0.00 27.48 28.76 1rqm h GLN 99 CO 0.03 0.87 -0.01 -0.11 -2.65 0.00 0.00 178.83 176.95 1rqm n LEU 100 N -4.39 0.47 0.21 -2.39 7.94 0.66 -4.26 117.00 115.23 1rqm n LEU 100 Ca 0.12 -0.13 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 1rqm n LEU 100 Cb 0.03 -0.03 0.70 0.00 0.53 0.00 0.00 43.42 44.66 1rqm n LEU 100 CO 0.36 0.08 1.11 0.00 -1.11 0.00 0.00 177.39 177.83 1rqm h ALA 101 N 4.04 2.02 0.00 1.96 0.00 -0.31 0.07 119.26 127.04 1rqm h ALA 101 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rqm h ALA 101 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1rqm h ALA 101 CO 0.00 -0.16 0.00 -0.40 0.00 0.00 0.00 179.25 178.69 1rqm n ASP 102 N -4.35 0.00 -0.00 0.00 5.75 -1.26 -0.23 116.55 116.46 1rqm n ASP 102 Ca 0.00 -0.12 0.01 0.00 -0.01 0.00 0.00 54.79 54.67 1rqm n ASP 102 Cb 0.22 -0.19 -0.01 0.00 -1.03 0.00 0.00 41.12 40.11 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 -1.19 0.00 1.00 2.12 3.14 -0.05 -4.67 118.33 118.68 1rqm n VAL 103 Ca 0.09 -0.22 0.12 0.00 -2.96 0.00 0.00 64.34 61.36 1rqm n VAL 103 Cb 0.09 0.71 0.31 0.00 -1.06 0.00 0.00 33.84 33.89 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 -1.32 0.42 0.00 6.55 7.99 -0.81 -4.96 117.00 124.88 1rqm n LEU 104 Ca -0.00 0.08 0.00 0.00 -0.01 0.00 0.00 56.01 56.08 1rqm n LEU 104 Cb 0.03 -0.29 0.00 0.00 -0.11 0.00 0.00 43.42 43.05 1rqm n LEU 104 CO 0.03 0.10 0.17 1.67 -1.51 0.00 0.00 177.39 177.85