#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 0.08 0.32 0.00 2.01 -1.26 -1.93 115.64 114.85 1rqm s THR 2 Ca 0.00 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.28 1rqm s THR 2 Cb 0.00 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.70 1rqm s THR 2 CO 0.00 -0.36 0.54 0.80 -0.69 0.00 0.00 174.62 174.92 1rqm n MET 3 N 0.79 0.78 -2.04 4.92 0.00 -1.20 -5.00 117.12 115.37 1rqm n MET 3 Ca -0.19 -2.14 -0.31 0.00 -0.00 0.00 0.00 57.70 55.06 1rqm n MET 3 Cb 0.58 2.33 0.00 0.00 0.00 0.00 0.00 33.22 36.14 1rqm n MET 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1rqm s THR 4 N -2.50 4.73 0.17 1.12 2.01 -1.26 -1.14 115.64 118.76 1rqm s THR 4 Ca 0.19 0.80 0.04 0.00 0.31 0.00 0.00 61.69 63.03 1rqm s THR 4 Cb -0.02 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 1rqm s THR 4 CO 0.14 -1.06 -0.06 -0.22 -0.69 0.00 0.00 174.62 172.73 1rqm s LEU 5 N -5.01 2.38 0.14 4.42 2.96 -0.41 -4.74 118.68 118.43 1rqm s LEU 5 Ca 0.54 -1.09 -0.11 0.00 -0.22 0.00 0.00 54.13 53.25 1rqm s LEU 5 Cb -0.11 -0.27 0.00 0.00 0.50 0.00 0.00 46.19 46.31 1rqm s LEU 5 CO 0.51 -0.42 0.31 -0.89 -1.32 0.00 0.00 176.35 174.54 1rqm s THR 6 N -3.41 0.08 0.20 3.68 2.01 -1.26 -4.63 115.64 112.30 1rqm s THR 6 Ca 0.21 -1.14 -0.22 0.00 0.31 0.00 0.00 61.69 60.85 1rqm s THR 6 Cb 0.04 -1.58 0.13 0.00 0.01 0.00 0.00 72.50 71.10 1rqm s THR 6 CO 0.03 -0.36 1.56 -0.78 -0.69 0.00 0.00 174.62 174.38 1rqm h ASP 7 N 2.52 -1.45 -0.93 3.53 3.58 -1.95 0.13 116.42 121.85 1rqm h ASP 7 Ca -0.32 0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1rqm h ASP 7 Cb 1.23 0.71 -0.05 0.00 1.72 0.00 0.00 39.33 42.94 1rqm h ASP 7 CO 0.48 -0.30 0.57 0.00 -2.88 0.00 0.00 179.24 177.12 1rqm h ALA 8 N 1.00 1.19 0.00 -0.78 0.00 -1.98 -1.81 119.26 116.88 1rqm h ALA 8 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1rqm h ALA 8 Cb 0.56 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rqm h ALA 8 CO -0.83 0.63 0.00 -0.97 0.00 0.00 0.00 179.25 178.09 1rqm h ASN 9 N 1.28 0.00 0.61 0.00 -0.00 -1.24 -3.14 115.58 113.09 1rqm h ASN 9 Ca 0.34 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.61 1rqm h ASN 9 Cb -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.24 1rqm h ASN 9 CO -0.06 0.00 -0.41 0.15 -0.00 0.00 0.00 177.43 177.11 1rqm h PHE 10 N 0.00 -1.09 -0.98 0.67 3.04 -0.17 0.14 116.94 118.54 1rqm h PHE 10 Ca 0.00 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.97 1rqm h PHE 10 Cb 0.76 0.40 -0.05 0.00 2.56 0.00 0.00 35.95 39.61 1rqm h PHE 10 CO 0.00 -0.59 0.65 0.37 -2.02 0.00 0.00 178.31 176.72 1rqm h GLN 11 N -0.96 1.26 0.00 1.11 -0.00 -1.61 -0.57 115.11 114.35 1rqm h GLN 11 Ca -0.08 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.49 1rqm h GLN 11 Cb 0.78 -0.28 0.00 0.00 0.00 0.00 0.00 27.48 27.98 1rqm h GLN 11 CO 0.06 0.83 0.00 1.96 0.00 0.00 0.00 178.83 181.68 1rqm h GLN 12 N 1.29 0.00 0.00 1.69 4.20 -1.49 -2.72 115.11 118.08 1rqm h GLN 12 Ca 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.08 1rqm h GLN 12 Cb -0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1rqm h GLN 12 CO -0.10 0.00 -0.09 0.00 -0.67 0.00 0.00 178.83 177.98 1rqm h ALA 13 N 2.26 0.01 -0.03 3.87 0.00 0.40 -3.40 119.26 122.38 1rqm h ALA 13 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1rqm h ALA 13 Cb 0.61 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1rqm h ALA 13 CO 0.00 0.07 0.04 -0.84 0.00 0.00 0.00 179.25 178.52 1rqm h ILE 14 N -1.00 0.42 0.00 0.00 3.07 -1.11 0.39 117.51 119.28 1rqm h ILE 14 Ca -0.01 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.40 1rqm h ILE 14 Cb 0.32 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 37.83 1rqm h ILE 14 CO -0.01 0.00 0.00 0.06 -1.05 0.00 0.00 178.15 177.15 1rqm h GLN 15 N 0.00 0.00 -7.32 0.16 -0.00 -1.68 0.16 115.11 106.43 1rqm h GLN 15 Ca 0.01 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 58.18 1rqm h GLN 15 Cb 0.10 0.00 0.16 0.00 -0.00 0.00 0.00 27.48 27.73 1rqm h GLN 15 CO -0.00 0.00 0.23 0.20 -0.00 0.00 0.00 178.83 179.26 1rqm s GLY 16 N -3.89 1.62 -0.02 0.06 0.00 0.12 -3.43 107.32 101.79 1rqm s GLY 16 Ca 0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 44.72 44.51 1rqm s GLY 16 CO 0.43 0.48 0.93 1.29 0.00 0.00 0.00 173.10 176.23 1rqm h ASP 17 N -1.66 0.64 -4.24 1.64 2.03 -1.88 0.26 116.42 113.21 1rqm h ASP 17 Ca -0.50 -0.94 -0.49 0.00 -0.73 0.00 0.00 57.03 54.37 1rqm h ASP 17 Cb 1.29 -0.21 0.12 0.00 -0.83 0.00 0.00 39.33 39.70 1rqm h ASP 17 CO 0.53 1.55 0.32 -0.83 -1.03 0.00 0.00 179.24 179.78 1rqm s GLY 18 N -4.53 1.63 -0.55 7.15 0.00 -1.26 -4.70 107.32 105.05 1rqm s GLY 18 Ca -0.12 -0.11 -0.26 0.00 0.00 0.00 0.00 44.72 44.23 1rqm s GLY 18 CO 0.88 0.32 2.06 2.56 0.00 0.00 0.00 173.10 178.91 1rqm s PRO 19 N -5.07 2.48 -0.22 2.90 0.04 -1.26 -4.57 135.00 129.29 1rqm s PRO 19 Ca 0.61 0.95 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 1rqm s PRO 19 Cb -0.15 -4.45 -0.02 0.00 0.04 0.00 0.00 34.50 29.91 1rqm s PRO 19 CO 0.55 -2.88 0.60 0.08 0.04 0.00 0.00 177.00 175.39 1rqm s VAL 20 N 10.07 5.03 -0.25 -0.36 1.01 -0.48 -1.28 120.40 134.14 1rqm s VAL 20 Ca 0.79 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.87 1rqm s VAL 20 Cb -0.15 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.37 1rqm s VAL 20 CO 0.23 0.09 -0.11 -0.22 0.00 0.00 0.00 175.10 175.10 1rqm s LEU 21 N 2.11 3.26 -0.15 3.92 0.20 0.31 -0.11 118.68 128.22 1rqm s LEU 21 Ca 0.26 -1.21 -0.19 0.00 0.69 0.00 0.00 54.13 53.68 1rqm s LEU 21 Cb -0.16 -1.57 -0.04 0.00 -0.43 0.00 0.00 46.19 44.00 1rqm s LEU 21 CO 0.09 -0.16 0.50 -0.69 -0.29 0.00 0.00 176.35 175.81 1rqm s VAL 22 N 1.17 5.15 -0.58 1.68 1.01 -0.22 -0.32 120.40 128.28 1rqm s VAL 22 Ca -0.05 0.98 -0.20 0.00 0.00 0.00 0.00 61.98 62.70 1rqm s VAL 22 Cb -0.18 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.43 1rqm s VAL 22 CO -0.06 0.27 0.77 -0.62 0.00 0.00 0.00 175.10 175.46 1rqm s ASP 23 N 0.83 6.20 -0.42 3.32 -1.08 -0.35 -3.01 116.67 122.16 1rqm s ASP 23 Ca 0.26 -1.09 -0.24 0.00 -0.52 0.00 0.00 52.55 50.97 1rqm s ASP 23 Cb -0.15 -2.34 0.02 0.00 -1.46 0.00 0.00 42.92 38.98 1rqm s ASP 23 CO 0.10 -1.16 0.82 -0.36 0.52 0.00 0.00 175.17 175.10 1rqm s PHE 24 N 3.15 3.02 0.36 -5.34 0.08 0.00 -1.03 117.98 118.23 1rqm s PHE 24 Ca 0.17 0.37 0.05 0.00 0.12 0.00 0.00 56.93 57.64 1rqm s PHE 24 Cb -0.20 -3.64 -0.03 0.00 -0.57 0.00 0.00 43.02 38.58 1rqm s PHE 24 CO 0.10 -0.92 0.20 1.67 -0.10 0.00 0.00 175.22 176.17 1rqm s TRP 25 N 3.34 1.75 0.24 0.36 1.48 -0.95 -1.39 118.94 123.76 1rqm s TRP 25 Ca 0.32 -1.48 -0.18 0.00 -1.06 0.00 0.00 56.10 53.70 1rqm s TRP 25 Cb -0.12 -0.92 0.02 0.00 -1.16 0.00 0.00 33.47 31.29 1rqm s TRP 25 CO 0.21 -0.60 0.59 0.00 -4.06 0.00 0.00 176.95 173.10 1rqm s ALA 26 N -3.36 -0.94 -1.53 2.67 0.00 -1.26 -0.63 121.76 116.71 1rqm s ALA 26 Ca 0.32 -0.35 0.24 0.00 0.00 0.00 0.00 51.96 52.18 1rqm s ALA 26 Cb 0.02 0.90 1.26 0.00 0.00 0.00 0.00 23.12 25.31 1rqm s ALA 26 CO 0.21 -0.90 1.80 0.00 0.00 0.00 0.00 175.76 176.87 1rqm n ALA 27 N -0.40 2.26 0.00 0.00 0.00 -1.26 -3.79 120.51 117.32 1rqm n ALA 27 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1rqm n ALA 27 Cb 0.61 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.23 0.00 -0.03 0.00 2.14 -1.26 -4.90 117.44 112.16 1rqm n TRP 28 Ca 0.13 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.70 1rqm n TRP 28 Cb 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.67 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 1.31 0.41 0.20 0.00 0.00 -1.26 -1.47 105.19 104.38 1rqm n GLY 30 Ca 0.00 0.46 0.13 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.66 1.61 0.13 -1.96 -0.19 132.00 130.93 1rqm h PRO 31 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.28 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 0.46 0.00 -0.23 0.00 0.00 178.00 178.23 1rqm n ARG 33 N -4.43 0.08 -0.01 0.00 0.63 -0.08 -0.42 116.66 112.43 1rqm n ARG 33 Ca 0.13 0.39 0.05 0.00 -0.92 0.00 0.00 57.85 57.50 1rqm n ARG 33 Cb 0.57 -1.67 -0.08 0.00 0.45 0.00 0.00 32.46 31.73 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 -1.82 0.41 0.05 -0.14 2.81 0.18 -4.40 117.12 114.21 1rqm n MET 34 Ca 0.02 -0.10 -0.20 0.00 -1.81 0.00 0.00 57.70 55.61 1rqm n MET 34 Cb 0.14 -1.26 -0.15 0.00 -0.71 0.00 0.00 33.22 31.25 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 0.30 -0.63 0.03 1.85 -0.86 -3.21 114.93 112.41 1rqm h MET 35 Ca -0.01 -0.52 0.13 0.00 -0.61 0.00 0.00 59.70 58.69 1rqm h MET 35 Cb 0.54 0.19 -0.10 0.00 0.43 0.00 0.00 31.60 32.66 1rqm h MET 35 CO 0.00 1.25 0.05 0.00 -0.40 0.00 0.00 176.91 177.81 1rqm h ALA 36 N 0.07 0.68 0.00 0.39 0.00 -0.97 0.47 119.26 119.89 1rqm h ALA 36 Ca -0.16 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1rqm h ALA 36 Cb 1.68 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1rqm h ALA 36 CO 0.15 -0.37 -0.46 -1.00 0.00 0.00 0.00 179.25 177.57 1rqm h PRO 37 N 0.16 0.00 -0.01 0.00 0.13 -1.77 -1.14 132.00 129.37 1rqm h PRO 37 Ca 0.34 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.40 1rqm h PRO 37 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1rqm h PRO 37 CO -0.51 0.46 -0.34 0.28 -0.23 0.00 0.00 178.00 177.66 1rqm h VAL 38 N 0.00 1.25 0.00 1.56 2.07 -0.75 0.59 116.25 120.96 1rqm h VAL 38 Ca -0.00 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1rqm h VAL 38 Cb 0.81 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1rqm h VAL 38 CO 0.06 0.33 -0.00 -0.07 0.02 0.00 0.00 177.57 177.91 1rqm h LEU 39 N 0.01 0.00 -0.06 2.57 3.38 0.18 0.07 115.31 121.47 1rqm h LEU 39 Ca -0.00 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1rqm h LEU 39 Cb 0.60 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.37 1rqm h LEU 39 CO 0.04 0.00 -0.75 -0.33 0.09 0.00 0.00 178.44 177.49 1rqm h GLU 40 N 0.00 0.61 0.00 1.13 3.07 -0.65 0.96 114.58 119.70 1rqm h GLU 40 Ca 0.00 -0.58 0.00 0.00 -0.50 0.00 0.00 59.36 58.28 1rqm h GLU 40 Cb 0.90 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1rqm h GLU 40 CO 0.00 1.20 0.00 1.49 -1.40 0.00 0.00 179.01 180.30 1rqm h GLU 41 N 0.23 0.00 0.02 2.33 4.57 -0.60 0.10 114.58 121.24 1rqm h GLU 41 Ca -0.08 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.95 1rqm h GLU 41 Cb 1.42 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.99 1rqm h GLU 41 CO 0.15 0.00 -0.79 0.35 -1.18 0.00 0.00 179.01 177.55 1rqm h PHE 42 N 0.00 0.07 -0.44 0.92 3.04 -0.92 -3.29 116.94 116.33 1rqm h PHE 42 Ca 0.00 -0.05 0.08 0.00 3.98 0.00 0.00 57.97 61.97 1rqm h PHE 42 Cb 0.19 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.67 1rqm h PHE 42 CO 0.00 1.31 0.30 0.00 -2.02 0.00 0.00 178.31 177.89 1rqm h ALA 43 N -0.23 2.07 0.40 2.41 0.00 0.42 -2.64 119.26 121.69 1rqm h ALA 43 Ca -0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1rqm h ALA 43 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rqm h ALA 43 CO -0.08 -0.16 -0.19 1.49 0.00 0.00 0.00 179.25 180.30 1rqm h GLU 44 N 0.26 -0.52 -0.08 0.00 4.81 -1.04 -3.11 114.58 114.90 1rqm h GLU 44 Ca 0.20 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1rqm h GLU 44 Cb 0.44 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1rqm h GLU 44 CO -0.04 -0.22 0.18 0.00 -0.73 0.00 0.00 179.01 178.20 1rqm h ALA 45 N -0.74 1.45 -0.01 2.92 0.00 -1.54 -1.70 119.26 119.65 1rqm h ALA 45 Ca -0.06 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1rqm h ALA 45 Cb 0.54 0.01 -0.33 0.00 0.00 0.00 0.00 17.79 18.01 1rqm h ALA 45 CO 0.09 -0.23 -0.86 -2.39 0.00 0.00 0.00 179.25 175.87 1rqm n HIS 46 N -3.34 0.01 -0.00 0.00 1.44 -1.24 -5.05 115.22 107.03 1rqm n HIS 46 Ca -0.01 -0.53 -0.00 0.00 -2.01 0.00 0.00 57.72 55.17 1rqm n HIS 46 Cb 0.27 0.01 -0.00 0.00 0.12 0.00 0.00 29.99 30.39 1rqm n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rqm n ALA 47 N 0.35 -0.01 -0.07 1.59 0.00 -0.64 -0.92 120.51 120.81 1rqm n ALA 47 Ca -0.02 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1rqm n ALA 47 Cb 1.04 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.66 1rqm n ALA 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rqm n ASP 48 N -3.34 3.00 0.20 0.00 8.00 -1.26 0.11 116.55 123.26 1rqm n ASP 48 Ca 0.00 -1.92 0.07 0.00 0.71 0.00 0.00 54.79 53.64 1rqm n ASP 48 Cb 0.00 -0.24 0.39 0.00 -0.02 0.00 0.00 41.12 41.26 1rqm n ASP 48 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1rqm h LYS 49 N 2.64 0.00 -5.39 -1.24 3.64 -1.45 -3.43 116.57 111.33 1rqm h LYS 49 Ca 0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 1rqm h LYS 49 Cb 0.76 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.44 1rqm h LYS 49 CO 0.00 0.33 -0.60 0.14 -2.27 0.00 0.00 179.45 177.05 1rqm s VAL 50 N -3.73 1.50 -0.30 2.00 -7.23 -1.22 -4.64 120.40 106.79 1rqm s VAL 50 Ca -0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.18 1rqm s VAL 50 Cb 0.11 -2.86 0.09 0.00 0.56 0.00 0.00 36.38 34.28 1rqm s VAL 50 CO 0.67 0.00 0.02 0.28 -0.31 0.00 0.00 175.10 175.76 1rqm s THR 51 N -3.06 1.67 0.67 5.32 -1.32 -0.41 -0.25 115.64 118.27 1rqm s THR 51 Ca 0.35 -1.71 -0.14 0.00 -1.21 0.00 0.00 61.69 58.98 1rqm s THR 51 Cb 0.09 -2.12 0.01 0.00 -1.51 0.00 0.00 72.50 68.97 1rqm s THR 51 CO 0.16 -0.44 1.10 -0.69 -2.21 0.00 0.00 174.62 172.55 1rqm s VAL 52 N 1.25 3.30 -0.24 5.08 1.01 -0.81 -0.53 120.40 129.46 1rqm s VAL 52 Ca 0.04 0.57 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 1rqm s VAL 52 Cb -0.19 -3.10 0.13 0.00 0.00 0.00 0.00 36.38 33.23 1rqm s VAL 52 CO -0.12 -0.40 0.40 0.00 0.00 0.00 0.00 175.10 174.98 1rqm s ALA 53 N -2.43 -1.19 -0.08 5.51 0.00 0.56 -3.24 121.76 120.89 1rqm s ALA 53 Ca 0.66 1.07 -0.21 0.00 0.00 0.00 0.00 51.96 53.48 1rqm s ALA 53 Cb -0.20 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1rqm s ALA 53 CO 0.43 -1.19 0.59 0.21 0.00 0.00 0.00 175.76 175.80 1rqm s LYS 54 N 2.58 4.38 -0.10 0.00 2.20 -0.29 -1.21 119.74 127.29 1rqm s LYS 54 Ca 0.11 0.67 -0.14 0.00 -0.36 0.00 0.00 55.97 56.26 1rqm s LYS 54 Cb -0.15 -3.43 0.03 0.00 -1.51 0.00 0.00 37.83 32.78 1rqm s LYS 54 CO -0.16 0.15 0.36 -1.17 -0.36 0.00 0.00 175.35 174.17 1rqm s LEU 55 N 0.58 0.63 -0.29 5.43 0.20 -0.20 -1.29 118.68 123.74 1rqm s LEU 55 Ca 0.32 0.56 -0.28 0.00 0.69 0.00 0.00 54.13 55.41 1rqm s LEU 55 Cb -0.17 1.31 0.01 0.00 -0.43 0.00 0.00 46.19 46.91 1rqm s LEU 55 CO 0.15 -0.23 1.01 0.21 -0.29 0.00 0.00 176.35 177.20 1rqm s ASN 56 N -0.28 6.94 0.48 3.68 3.04 -1.26 -2.24 114.94 125.30 1rqm s ASN 56 Ca -0.04 1.09 0.25 0.00 0.04 0.00 0.00 52.86 54.19 1rqm s ASN 56 Cb -0.03 -2.52 1.30 0.00 -1.54 0.00 0.00 41.25 38.46 1rqm s ASN 56 CO 0.02 -0.77 1.88 1.62 -3.04 0.00 0.00 177.10 176.81 1rqm h VAL 57 N 5.62 0.62 0.00 -5.21 3.04 -1.22 0.09 116.25 119.19 1rqm h VAL 57 Ca -0.21 -0.06 -0.08 0.00 -1.01 0.00 0.00 66.70 65.34 1rqm h VAL 57 Cb 1.07 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 1rqm h VAL 57 CO 0.99 0.03 -0.38 0.44 -1.01 0.00 0.00 177.57 177.64 1rqm h ASP 58 N 0.18 0.00 1.05 3.17 3.32 -1.92 -2.95 116.42 119.27 1rqm h ASP 58 Ca 0.43 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.43 1rqm h ASP 58 Cb 1.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 1rqm h ASP 58 CO -0.08 0.38 -0.24 1.05 -1.72 0.00 0.00 179.24 178.62 1rqm h GLU 59 N 0.00 0.00 -3.06 3.56 4.11 -1.36 -3.41 114.58 114.42 1rqm h GLU 59 Ca -0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.81 1rqm h GLU 59 Cb 0.68 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.53 1rqm h GLU 59 CO 0.05 0.24 -0.70 1.21 0.07 0.00 0.00 179.01 179.89 1rqm s ASN 60 N -6.21 3.86 0.29 3.06 3.04 -1.11 -4.46 114.94 113.40 1rqm s ASN 60 Ca 0.01 -2.99 0.11 0.00 0.04 0.00 0.00 52.86 50.04 1rqm s ASN 60 Cb 0.10 -1.26 0.43 0.00 -1.54 0.00 0.00 41.25 38.98 1rqm s ASN 60 CO 0.65 -0.22 1.65 1.55 -3.04 0.00 0.00 177.10 177.70 1rqm h PRO 61 N 6.34 0.00 -6.73 0.43 0.13 -1.81 -3.40 132.00 126.95 1rqm h PRO 61 Ca 0.02 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.64 1rqm h PRO 61 Cb 0.88 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.03 1rqm h PRO 61 CO 0.57 0.57 0.51 -2.00 -0.23 0.00 0.00 178.00 177.42 1rqm s GLU 62 N -3.71 4.57 0.00 0.86 2.56 -1.26 -1.10 118.70 120.63 1rqm s GLU 62 Ca -0.01 1.82 0.00 0.00 0.00 0.00 0.00 54.97 56.78 1rqm s GLU 62 Cb 0.13 -3.22 0.00 0.00 2.00 0.00 0.00 34.13 33.04 1rqm s GLU 62 CO 0.75 0.07 0.00 2.41 -0.56 0.00 0.00 175.26 177.94 1rqm n THR 63 N 1.84 0.00 0.33 -1.70 -1.04 -1.26 -4.65 114.28 107.80 1rqm n THR 63 Ca 0.01 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.85 1rqm n THR 63 Cb 0.45 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.87 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 0.24 -0.45 12.58 2.02 -1.75 -1.26 112.91 124.29 1rqm h THR 64 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1rqm h THR 64 Cb 0.00 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.61 1rqm h THR 64 CO 0.00 0.00 0.23 -1.28 0.37 0.00 0.00 175.52 174.84 1rqm h SER 65 N -0.91 0.34 -0.64 4.18 0.87 -1.38 0.76 113.55 116.77 1rqm h SER 65 Ca -0.07 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.56 1rqm h SER 65 Cb 0.75 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.63 1rqm h SER 65 CO 0.06 0.24 0.42 -0.61 -0.53 0.00 0.00 176.83 176.41 1rqm h GLN 66 N 0.46 0.68 -0.72 2.24 5.75 -1.74 -1.31 115.11 120.47 1rqm h GLN 66 Ca 0.19 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1rqm h GLN 66 Cb 0.09 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.49 1rqm h GLN 66 CO -0.13 0.45 0.00 1.19 -2.65 0.00 0.00 178.83 177.69 1rqm n PHE 67 N -4.47 0.96 -2.21 3.99 3.01 -0.50 -4.96 117.46 113.27 1rqm n PHE 67 Ca 0.08 -0.49 -0.16 0.00 1.01 0.00 0.00 57.45 57.90 1rqm n PHE 67 Cb 0.17 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.63 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 1.62 -0.10 3.58 1.37 0.00 -0.49 -4.88 105.19 106.30 1rqm n GLY 68 Ca 0.24 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.76 3.94 0.00 -0.61 -1.09 0.17 -4.30 121.20 116.55 1rqm s ILE 69 Ca 0.00 -1.51 0.00 0.00 -2.23 0.00 0.00 60.65 56.91 1rqm s ILE 69 Cb 0.00 -4.99 0.00 0.00 -1.58 0.00 0.00 42.46 35.89 1rqm s ILE 69 CO 0.00 -1.73 0.36 0.23 -1.23 0.00 0.00 174.94 172.58 1rqm n MET 70 N 8.43 -0.18 -0.00 2.79 2.81 -1.26 -4.84 117.12 124.87 1rqm n MET 70 Ca 0.46 -0.36 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1rqm n MET 70 Cb 0.47 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 32.12 1rqm n MET 70 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1rqm n SER 71 N -0.08 2.70 -4.77 7.83 2.88 -1.26 -4.95 113.62 115.98 1rqm n SER 71 Ca 0.00 -1.79 -0.36 0.00 -1.33 0.00 0.00 58.87 55.38 1rqm n SER 71 Cb 0.04 -0.45 0.01 0.00 -0.75 0.00 0.00 64.21 63.06 1rqm n SER 71 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1rqm s ILE 72 N 0.11 2.93 0.12 2.46 -0.00 -1.26 -4.21 121.20 121.35 1rqm s ILE 72 Ca 0.00 0.63 -0.31 0.00 -0.00 0.00 0.00 60.65 60.97 1rqm s ILE 72 Cb 0.00 -3.28 -0.09 0.00 -0.00 0.00 0.00 42.46 39.09 1rqm s ILE 72 CO 0.00 -0.08 1.52 -2.16 -0.00 0.00 0.00 174.94 174.22 1rqm s PRO 73 N -3.06 4.25 0.13 0.37 0.04 -1.26 -4.85 135.00 130.62 1rqm s PRO 73 Ca 0.71 2.24 0.09 0.00 0.04 0.00 0.00 61.00 64.07 1rqm s PRO 73 Cb -0.28 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1rqm s PRO 73 CO 0.33 -0.57 -0.21 0.99 0.04 0.00 0.00 177.00 177.57 1rqm s THR 74 N 1.50 1.89 -0.05 1.26 2.01 -0.48 -0.97 115.64 120.80 1rqm s THR 74 Ca 0.69 -1.73 0.02 0.00 0.31 0.00 0.00 61.69 60.97 1rqm s THR 74 Cb -0.40 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.37 1rqm s THR 74 CO 0.31 -0.11 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.82 1rqm s LEU 75 N -2.22 1.50 0.00 4.42 0.20 -0.00 -0.82 118.68 121.75 1rqm s LEU 75 Ca 0.12 -0.20 0.04 0.00 0.69 0.00 0.00 54.13 54.77 1rqm s LEU 75 Cb -0.09 -0.61 -0.01 0.00 -0.43 0.00 0.00 46.19 45.05 1rqm s LEU 75 CO 0.06 -0.01 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.35 1rqm s ILE 76 N 0.76 1.02 -0.23 6.68 1.01 -1.16 -0.34 121.20 128.93 1rqm s ILE 76 Ca -0.13 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 1rqm s ILE 76 Cb -0.15 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 1rqm s ILE 76 CO 0.02 0.22 -0.01 -0.22 0.00 0.00 0.00 174.94 174.94 1rqm s LEU 77 N -0.48 3.06 0.29 2.97 1.98 -0.55 -1.06 118.68 124.89 1rqm s LEU 77 Ca 0.04 -0.39 0.11 0.00 -2.89 0.00 0.00 54.13 51.00 1rqm s LEU 77 Cb -0.05 -1.78 -0.05 0.00 0.66 0.00 0.00 46.19 44.97 1rqm s LEU 77 CO -0.00 -0.04 -0.10 -0.36 -1.89 0.00 0.00 176.35 173.96 1rqm s PHE 78 N 1.50 2.46 0.04 5.38 0.08 0.84 -0.40 117.98 127.88 1rqm s PHE 78 Ca 0.06 -0.33 -0.27 0.00 0.12 0.00 0.00 56.93 56.50 1rqm s PHE 78 Cb -0.15 -1.16 0.09 0.00 -0.57 0.00 0.00 43.02 41.23 1rqm s PHE 78 CO -0.02 0.64 0.75 -1.59 -0.10 0.00 0.00 175.22 174.91 1rqm s LYS 79 N -3.60 1.01 -0.94 0.44 0.00 -0.22 -1.38 119.74 115.05 1rqm s LYS 79 Ca 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 55.97 56.06 1rqm s LYS 79 Cb -0.04 0.47 0.00 0.00 0.00 0.00 0.00 37.83 38.26 1rqm s LYS 79 CO 0.17 -0.41 0.00 0.41 0.00 0.00 0.00 175.35 175.52 1rqm n GLY 80 N -0.01 0.84 0.02 0.59 0.00 0.91 -1.27 105.19 106.28 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 0.29 0.21 3.27 -0.02 0.00 0.51 -4.81 105.19 104.65 1rqm n GLY 81 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.99 1.12 0.79 1.61 -1.05 -0.39 -4.87 118.70 114.91 1rqm s GLU 82 Ca 0.00 -1.39 -0.12 0.00 -0.15 0.00 0.00 54.97 53.31 1rqm s GLU 82 Cb 0.00 -0.91 0.07 0.00 -0.44 0.00 0.00 34.13 32.85 1rqm s GLU 82 CO 0.00 0.16 1.12 -1.25 0.95 0.00 0.00 175.26 176.24 1rqm s PRO 83 N -3.21 2.14 -0.13 -4.83 0.04 -1.26 -1.05 135.00 126.70 1rqm s PRO 83 Ca 0.15 0.40 0.06 0.00 0.04 0.00 0.00 61.00 61.65 1rqm s PRO 83 Cb -0.02 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 1rqm s PRO 83 CO 0.04 -1.53 -0.04 1.33 0.04 0.00 0.00 177.00 176.84 1rqm n VAL 84 N -3.33 0.83 -3.67 -0.36 0.24 0.47 -4.81 118.33 107.71 1rqm n VAL 84 Ca 0.07 -0.42 -0.08 0.00 -2.04 0.00 0.00 64.34 61.87 1rqm n VAL 84 Cb 0.58 -0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 32.08 1rqm n VAL 84 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1rqm s LYS 85 N -2.29 1.42 0.01 7.34 -2.85 -1.23 -5.05 119.74 117.08 1rqm s LYS 85 Ca -0.13 -0.69 0.02 0.00 -1.00 0.00 0.00 55.97 54.17 1rqm s LYS 85 Cb 0.04 0.54 -0.01 0.00 -2.06 0.00 0.00 37.83 36.34 1rqm s LYS 85 CO 0.42 -0.64 -0.05 -1.14 0.10 0.00 0.00 175.35 174.03 1rqm s GLN 86 N -3.66 0.42 0.09 1.78 0.74 -1.26 -1.49 119.66 116.27 1rqm s GLN 86 Ca 0.07 -0.35 0.04 0.00 0.05 0.00 0.00 55.36 55.17 1rqm s GLN 86 Cb -0.03 -0.32 -0.03 0.00 1.10 0.00 0.00 33.01 33.72 1rqm s GLN 86 CO -0.02 0.08 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.18 1rqm s LEU 87 N -0.58 2.36 -0.03 3.68 1.43 0.54 -5.00 118.68 121.07 1rqm s LEU 87 Ca -0.02 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.29 1rqm s LEU 87 Cb -0.04 -0.36 0.01 0.00 0.03 0.00 0.00 46.19 45.83 1rqm s LEU 87 CO -0.00 -0.20 0.13 0.27 0.23 0.00 0.00 176.35 176.77 1rqm s ILE 88 N -2.02 0.03 0.00 -0.59 -4.36 -1.26 -0.82 121.20 112.18 1rqm s ILE 88 Ca 0.02 -0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.15 1rqm s ILE 88 Cb -0.06 -0.27 0.00 0.00 1.25 0.00 0.00 42.46 43.38 1rqm s ILE 88 CO 0.01 -0.15 0.00 0.61 0.24 0.00 0.00 174.94 175.65 1rqm n GLY 89 N 2.45 -2.34 3.48 6.27 0.00 -0.14 -4.74 105.19 110.17 1rqm n GLY 89 Ca -0.16 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.97 3.62 -2.25 1.61 9.36 -1.26 -4.90 117.16 121.38 1rqm n TYR 90 Ca 0.00 -2.23 -0.40 0.00 3.32 0.00 0.00 57.90 58.59 1rqm n TYR 90 Cb 0.00 -2.56 -0.03 0.00 -0.63 0.00 0.00 39.34 36.12 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 5.09 4.36 0.76 2.98 -1.52 -1.26 -5.03 119.66 125.05 1rqm s GLN 91 Ca 0.59 2.03 -0.11 0.00 -1.95 0.00 0.00 55.36 55.93 1rqm s GLN 91 Cb 0.04 -3.02 0.05 0.00 -0.22 0.00 0.00 33.01 29.86 1rqm s GLN 91 CO 0.09 -0.11 1.09 -1.25 -0.25 0.00 0.00 175.29 174.86 1rqm s PRO 92 N -1.81 2.34 0.25 2.91 0.04 -1.26 -4.79 135.00 132.68 1rqm s PRO 92 Ca 0.49 1.11 -0.05 0.00 0.04 0.00 0.00 61.00 62.59 1rqm s PRO 92 Cb -0.36 -1.91 0.47 0.00 0.04 0.00 0.00 34.50 32.74 1rqm s PRO 92 CO 0.47 -1.56 1.68 -0.22 0.04 0.00 0.00 177.00 177.40 1rqm h LYS 93 N -1.07 0.24 0.00 4.56 3.11 -1.96 -0.64 116.57 120.82 1rqm h LYS 93 Ca -0.44 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.31 1rqm h LYS 93 Cb 1.23 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.39 1rqm h LYS 93 CO 0.53 0.16 -0.36 0.93 -2.81 0.00 0.00 179.45 177.90 1rqm h GLU 94 N 0.25 0.00 -0.10 1.90 4.39 -1.98 -0.58 114.58 118.46 1rqm h GLU 94 Ca 0.42 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.91 1rqm h GLU 94 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1rqm h GLU 94 CO -0.53 0.36 -0.79 0.37 -1.16 0.00 0.00 179.01 177.26 1rqm h GLN 95 N 0.00 0.61 0.80 2.33 5.75 -1.50 -1.11 115.11 121.99 1rqm h GLN 95 Ca -0.00 -0.52 -0.04 0.00 -0.15 0.00 0.00 58.65 57.94 1rqm h GLN 95 Cb 0.98 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1rqm h GLN 95 CO 0.05 1.14 -0.43 1.25 -2.65 0.00 0.00 178.83 178.18 1rqm h LEU 96 N 0.41 -1.06 -1.82 -2.39 7.12 -0.86 0.22 115.31 116.93 1rqm h LEU 96 Ca -0.05 0.05 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 1rqm h LEU 96 Cb 1.40 0.29 -0.00 0.00 -0.53 0.00 0.00 40.66 41.82 1rqm h LEU 96 CO 0.15 -0.70 -0.14 -0.33 -0.13 0.00 0.00 178.44 177.29 1rqm h GLU 97 N -1.14 0.00 0.17 1.25 5.08 -1.17 -0.01 114.58 118.77 1rqm h GLU 97 Ca -0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1rqm h GLU 97 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1rqm h GLU 97 CO 0.15 0.14 -0.08 0.00 -1.00 0.00 0.00 179.01 178.22 1rqm h ALA 98 N 1.86 -0.23 -0.44 3.43 0.00 -1.09 -2.32 119.26 120.47 1rqm h ALA 98 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1rqm h ALA 98 Cb 0.36 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1rqm h ALA 98 CO 0.02 -0.35 0.17 0.37 0.00 0.00 0.00 179.25 179.45 1rqm h GLN 99 N -0.79 0.63 -0.10 0.00 5.75 -0.03 -1.73 115.11 118.84 1rqm h GLN 99 Ca -0.02 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1rqm h GLN 99 Cb 0.52 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.96 1rqm h GLN 99 CO 0.04 0.53 0.00 1.28 -2.65 0.00 0.00 178.83 178.03 1rqm n LEU 100 N -4.36 1.88 -0.09 -2.39 4.32 -0.06 -4.59 117.00 111.71 1rqm n LEU 100 Ca 0.03 -0.70 0.19 0.00 -0.02 0.00 0.00 56.01 55.51 1rqm n LEU 100 Cb 0.16 -0.05 0.61 0.00 -1.62 0.00 0.00 43.42 42.51 1rqm n LEU 100 CO 0.38 0.35 1.20 0.00 -1.22 0.00 0.00 177.39 178.10 1rqm h ALA 101 N 4.31 2.36 0.00 -1.18 0.00 -0.72 0.40 119.26 124.42 1rqm h ALA 101 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rqm h ALA 101 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1rqm h ALA 101 CO 0.00 -0.54 0.00 -0.40 0.00 0.00 0.00 179.25 178.31 1rqm n ASP 102 N -4.42 0.58 -0.23 0.00 5.75 -1.26 -0.26 116.55 116.71 1rqm n ASP 102 Ca 0.13 0.70 0.06 0.00 -0.01 0.00 0.00 54.79 55.66 1rqm n ASP 102 Cb 0.61 -0.80 -0.01 0.00 -1.03 0.00 0.00 41.12 39.88 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 -2.20 0.00 0.38 2.12 0.31 0.10 -4.51 118.33 114.53 1rqm n VAL 103 Ca 0.01 -0.35 0.04 0.00 -0.01 0.00 0.00 64.34 64.03 1rqm n VAL 103 Cb 0.14 1.12 -0.01 0.00 -0.91 0.00 0.00 33.84 34.18 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 -0.38 0.95 0.00 7.52 7.99 -0.42 -5.00 117.00 127.66 1rqm n LEU 104 Ca 0.05 -0.71 0.00 0.00 -0.01 0.00 0.00 56.01 55.34 1rqm n LEU 104 Cb 0.25 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 1rqm n LEU 104 CO 0.17 0.20 0.16 1.67 -1.51 0.00 0.00 177.39 178.07