#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 0.00 0.23 0.00 -1.32 -1.26 -4.54 115.64 108.75 1rqm s THR 2 Ca 0.00 -1.18 -0.10 0.00 -1.21 0.00 0.00 61.69 59.20 1rqm s THR 2 Cb 0.00 -2.45 -0.01 0.00 -1.51 0.00 0.00 72.50 68.53 1rqm s THR 2 CO 0.00 0.00 0.39 -0.04 -2.21 0.00 0.00 174.62 172.76 1rqm s MET 3 N -3.25 1.46 0.60 7.08 -1.94 -1.26 -5.06 119.30 116.92 1rqm s MET 3 Ca 0.18 -1.34 -0.19 0.00 -1.71 0.00 0.00 55.69 52.62 1rqm s MET 3 Cb -0.04 0.42 -0.03 0.00 2.01 0.00 0.00 34.83 37.19 1rqm s MET 3 CO 0.11 -0.58 1.27 0.99 -0.01 0.00 0.00 175.02 176.81 1rqm s THR 4 N -4.05 2.29 0.32 2.05 2.01 -1.26 -3.94 115.64 113.05 1rqm s THR 4 Ca 0.26 0.19 0.10 0.00 0.31 0.00 0.00 61.69 62.56 1rqm s THR 4 Cb 0.01 -3.08 -0.06 0.00 0.01 0.00 0.00 72.50 69.38 1rqm s THR 4 CO 0.10 -0.03 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.65 1rqm s LEU 5 N -4.00 2.70 0.00 4.42 2.96 -0.05 -4.90 118.68 119.82 1rqm s LEU 5 Ca 0.77 -1.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1rqm s LEU 5 Cb -0.35 -1.07 0.00 0.00 0.50 0.00 0.00 46.19 45.26 1rqm s LEU 5 CO 0.39 -0.11 0.00 0.35 -1.32 0.00 0.00 176.35 175.66 1rqm n THR 6 N -0.74 0.00 0.00 3.68 -2.24 -1.26 -4.54 114.28 109.18 1rqm n THR 6 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1rqm n THR 6 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1rqm n THR 6 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1rqm n ASP 7 N 0.00 0.00 -0.31 3.42 8.00 -1.26 -4.13 116.55 122.27 1rqm n ASP 7 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1rqm n ASP 7 Cb 0.00 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.40 1rqm n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rqm h ALA 8 N 0.00 1.45 0.00 2.24 0.00 -2.00 0.18 119.26 121.13 1rqm h ALA 8 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1rqm h ALA 8 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1rqm h ALA 8 CO 0.00 -0.27 -0.34 -0.91 0.00 0.00 0.00 179.25 177.73 1rqm h ASN 9 N 0.48 0.00 0.28 0.00 2.35 -1.95 -2.01 115.58 114.72 1rqm h ASN 9 Ca 0.55 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.29 1rqm h ASN 9 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1rqm h ASN 9 CO -0.48 0.34 -0.13 0.15 -1.65 0.00 0.00 177.43 175.65 1rqm h PHE 10 N 0.00 -0.35 -0.47 1.19 3.04 -1.11 -0.14 116.94 119.11 1rqm h PHE 10 Ca -0.00 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1rqm h PHE 10 Cb 0.75 0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.35 1rqm h PHE 10 CO 0.00 -0.21 0.12 0.37 -2.02 0.00 0.00 178.31 176.57 1rqm h GLN 11 N -0.40 0.70 0.00 1.11 4.15 -1.56 -1.19 115.11 117.92 1rqm h GLN 11 Ca -0.04 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1rqm h GLN 11 Cb 0.29 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1rqm h GLN 11 CO 0.06 0.63 0.00 0.94 -1.93 0.00 0.00 178.83 178.53 1rqm n GLN 12 N -4.31 0.17 -0.11 1.69 0.00 -0.76 -3.14 117.38 110.92 1rqm n GLN 12 Ca 0.03 0.06 -0.25 0.00 -0.00 0.00 0.00 57.00 56.85 1rqm n GLN 12 Cb 0.20 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.83 1rqm n GLN 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1rqm n ALA 13 N -1.40 0.96 0.32 1.69 0.00 -0.07 -4.51 120.51 117.50 1rqm n ALA 13 Ca 0.09 -0.74 0.22 0.00 0.00 0.00 0.00 53.44 53.00 1rqm n ALA 13 Cb 0.25 -0.29 1.15 0.00 0.00 0.00 0.00 19.45 20.55 1rqm n ALA 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1rqm h ILE 14 N -0.92 0.00 0.00 0.00 3.07 -1.27 0.46 117.51 118.85 1rqm h ILE 14 Ca -0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1rqm h ILE 14 Cb 1.48 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 1rqm h ILE 14 CO -0.27 0.00 0.00 0.06 -1.05 0.00 0.00 178.15 176.89 1rqm h GLN 15 N 0.00 0.00 -7.01 0.16 -0.00 -1.77 0.18 115.11 106.66 1rqm h GLN 15 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.13 1rqm h GLN 15 Cb 0.01 0.00 0.09 0.00 -0.00 0.00 0.00 27.48 27.57 1rqm h GLN 15 CO 0.00 0.00 0.53 0.20 -0.00 0.00 0.00 178.83 179.56 1rqm s GLY 16 N -3.90 2.82 0.38 0.06 0.00 0.15 -3.40 107.32 103.44 1rqm s GLY 16 Ca -0.02 1.08 0.21 0.00 0.00 0.00 0.00 44.72 45.98 1rqm s GLY 16 CO 0.36 1.56 1.64 -1.80 0.00 0.00 0.00 173.10 174.86 1rqm h ASP 17 N 1.89 0.00 -4.39 1.64 3.58 -1.89 0.19 116.42 117.44 1rqm h ASP 17 Ca -0.50 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 56.75 1rqm h ASP 17 Cb 1.26 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.35 1rqm h ASP 17 CO 0.59 0.28 0.04 0.61 -2.88 0.00 0.00 179.24 177.88 1rqm n GLY 18 N 0.75 0.90 3.56 -0.78 0.00 -1.26 -4.68 105.19 103.69 1rqm n GLY 18 Ca 0.02 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 1rqm n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rqm n PRO 19 N -1.77 0.43 -2.95 1.61 -0.04 -1.26 -4.41 135.00 126.61 1rqm n PRO 19 Ca 0.07 -1.07 -0.40 0.00 -0.04 0.00 0.00 63.50 62.07 1rqm n PRO 19 Cb 0.26 -3.74 -0.06 0.00 -0.04 0.00 0.00 33.50 29.93 1rqm n PRO 19 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1rqm s VAL 20 N 15.42 4.46 0.14 0.52 1.01 -0.86 -0.74 120.40 140.35 1rqm s VAL 20 Ca 0.90 1.74 -0.11 0.00 0.00 0.00 0.00 61.98 64.51 1rqm s VAL 20 Cb -0.12 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1rqm s VAL 20 CO 0.11 0.46 0.31 -1.48 0.00 0.00 0.00 175.10 174.51 1rqm s LEU 21 N -0.76 0.87 -0.10 3.92 2.34 0.04 0.20 118.68 125.18 1rqm s LEU 21 Ca 0.38 -0.67 0.02 0.00 0.06 0.00 0.00 54.13 53.91 1rqm s LEU 21 Cb -0.23 1.38 0.01 0.00 -0.56 0.00 0.00 46.19 46.80 1rqm s LEU 21 CO 0.26 -0.87 -0.17 -0.69 -1.06 0.00 0.00 176.35 173.82 1rqm s VAL 22 N -3.90 1.59 -0.36 1.48 1.01 -0.10 -0.59 120.40 119.54 1rqm s VAL 22 Ca 0.11 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1rqm s VAL 22 Cb 0.03 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1rqm s VAL 22 CO -0.05 0.46 1.09 -0.62 0.00 0.00 0.00 175.10 175.97 1rqm s ASP 23 N 0.81 6.85 -0.42 3.32 -1.08 -1.18 -2.79 116.67 122.18 1rqm s ASP 23 Ca -0.10 0.90 -0.15 0.00 -0.52 0.00 0.00 52.55 52.68 1rqm s ASP 23 Cb -0.16 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.79 1rqm s ASP 23 CO 0.01 -0.97 0.32 -0.36 0.52 0.00 0.00 175.17 174.69 1rqm s PHE 24 N 3.84 3.24 0.47 -5.34 0.08 -0.10 -1.00 117.98 119.17 1rqm s PHE 24 Ca 0.46 -0.67 0.02 0.00 0.12 0.00 0.00 56.93 56.86 1rqm s PHE 24 Cb -0.11 -2.72 -0.01 0.00 -0.57 0.00 0.00 43.02 39.60 1rqm s PHE 24 CO 0.19 -0.64 0.07 1.67 -0.10 0.00 0.00 175.22 176.42 1rqm s TRP 25 N 1.67 1.78 0.15 0.36 1.48 -1.08 -1.40 118.94 121.90 1rqm s TRP 25 Ca 0.05 -1.17 -0.14 0.00 -1.06 0.00 0.00 56.10 53.78 1rqm s TRP 25 Cb -0.20 -1.37 0.02 0.00 -1.16 0.00 0.00 33.47 30.76 1rqm s TRP 25 CO 0.09 -0.08 0.39 0.00 -4.06 0.00 0.00 176.95 173.30 1rqm s ALA 26 N -3.04 -0.65 -1.07 2.67 0.00 -1.26 -0.47 121.76 117.94 1rqm s ALA 26 Ca 0.12 -0.35 0.13 0.00 0.00 0.00 0.00 51.96 51.86 1rqm s ALA 26 Cb 0.01 0.76 0.57 0.00 0.00 0.00 0.00 23.12 24.46 1rqm s ALA 26 CO 0.08 -0.68 1.40 0.00 0.00 0.00 0.00 175.76 176.56 1rqm n ALA 27 N -0.24 1.62 0.00 0.00 0.00 -1.26 -3.60 120.51 117.03 1rqm n ALA 27 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1rqm n ALA 27 Cb 0.63 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.46 0.00 -0.16 0.00 2.14 -1.26 -4.96 117.44 111.74 1rqm n TRP 28 Ca 0.04 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.61 1rqm n TRP 28 Cb 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.64 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 1.45 0.89 0.26 0.00 0.00 -1.26 -1.65 105.19 104.88 1rqm n GLY 30 Ca 0.00 0.69 0.17 0.00 0.00 0.00 0.00 46.02 46.88 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 -0.90 1.61 0.13 -1.95 -0.13 132.00 130.77 1rqm h PRO 31 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.29 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 -4.56 0.04 -0.00 0.00 0.63 -0.06 -0.34 116.66 112.36 1rqm n ARG 33 Ca 0.18 0.28 0.07 0.00 -0.92 0.00 0.00 57.85 57.46 1rqm n ARG 33 Cb 0.54 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.86 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 -1.44 1.55 -0.08 -0.14 2.81 -0.05 -4.43 117.12 115.35 1rqm n MET 34 Ca 0.03 -0.06 -0.16 0.00 -1.81 0.00 0.00 57.70 55.71 1rqm n MET 34 Cb 0.12 -1.23 -0.14 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.63 0.68 -0.18 0.03 0.00 -0.70 -4.04 117.12 111.27 1rqm n MET 35 Ca 0.00 0.16 -0.00 0.00 -0.00 0.00 0.00 57.70 57.86 1rqm n MET 35 Cb 0.28 -1.60 0.09 0.00 0.00 0.00 0.00 33.22 31.99 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 0.38 0.59 -0.08 -5.12 0.00 -0.93 0.31 119.26 114.42 1rqm h ALA 36 Ca -0.50 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1rqm h ALA 36 Cb 2.03 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 20.05 1rqm h ALA 36 CO 0.00 -0.36 -0.25 -1.00 0.00 0.00 0.00 179.25 177.64 1rqm h PRO 37 N 0.17 0.14 -0.19 0.00 0.13 -1.77 0.19 132.00 130.67 1rqm h PRO 37 Ca 0.29 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 65.28 1rqm h PRO 37 Cb 0.45 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1rqm h PRO 37 CO -0.44 0.39 -0.31 0.28 -0.23 0.00 0.00 178.00 177.69 1rqm h VAL 38 N 0.13 1.28 -0.01 1.56 2.07 -1.12 0.15 116.25 120.31 1rqm h VAL 38 Ca 0.02 -1.34 -0.16 0.00 0.82 0.00 0.00 66.70 66.04 1rqm h VAL 38 Cb 0.51 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1rqm h VAL 38 CO 0.04 0.41 -0.74 -0.07 0.02 0.00 0.00 177.57 177.23 1rqm h LEU 39 N 0.33 0.10 -0.30 2.57 4.07 0.06 0.10 115.31 122.25 1rqm h LEU 39 Ca 0.04 -0.07 -0.18 0.00 0.08 0.00 0.00 57.88 57.75 1rqm h LEU 39 Cb 0.71 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.42 1rqm h LEU 39 CO 0.05 0.80 -0.53 -0.08 -1.08 0.00 0.00 178.44 177.61 1rqm h GLU 40 N 0.05 0.88 -0.57 1.13 4.57 -0.34 0.21 114.58 120.51 1rqm h GLU 40 Ca -0.02 -0.55 -0.02 0.00 -1.18 0.00 0.00 59.36 57.59 1rqm h GLU 40 Cb 1.30 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.93 1rqm h GLU 40 CO 0.10 1.19 0.26 1.49 -1.18 0.00 0.00 179.01 180.87 1rqm h GLU 41 N 0.67 0.82 -0.78 1.92 4.22 -0.92 0.14 114.58 120.64 1rqm h GLU 41 Ca 0.02 -0.13 0.07 0.00 0.08 0.00 0.00 59.36 59.40 1rqm h GLU 41 Cb 1.13 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.18 1rqm h GLU 41 CO 0.12 0.68 0.46 0.35 -2.18 0.00 0.00 179.01 178.44 1rqm h PHE 42 N 0.77 0.85 0.50 0.92 3.04 -0.62 0.12 116.94 122.52 1rqm h PHE 42 Ca 0.19 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.15 1rqm h PHE 42 Cb 0.14 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.39 1rqm h PHE 42 CO 0.00 0.40 -0.24 0.00 -2.02 0.00 0.00 178.31 176.45 1rqm h ALA 43 N 1.40 -0.67 -0.46 2.41 0.00 -0.13 -2.50 119.26 119.31 1rqm h ALA 43 Ca 0.35 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1rqm h ALA 43 Cb 0.23 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1rqm h ALA 43 CO -0.20 -0.86 0.10 1.49 0.00 0.00 0.00 179.25 179.79 1rqm h GLU 44 N -0.71 0.24 0.00 0.00 4.81 -0.35 0.13 114.58 118.69 1rqm h GLU 44 Ca -0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1rqm h GLU 44 Cb 0.54 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1rqm h GLU 44 CO 0.11 0.16 0.00 0.00 -0.73 0.00 0.00 179.01 178.55 1rqm n ALA 45 N -2.48 1.43 -1.44 2.92 0.00 0.40 -3.26 120.51 118.08 1rqm n ALA 45 Ca 0.04 0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.60 1rqm n ALA 45 Cb 0.21 -1.31 0.03 0.00 0.00 0.00 0.00 19.45 18.38 1rqm n ALA 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rqm n HIS 46 N -2.09 0.00 -0.34 0.00 8.25 -0.33 -4.99 115.22 115.72 1rqm n HIS 46 Ca 0.01 -0.26 0.33 0.00 -0.26 0.00 0.00 57.72 57.54 1rqm n HIS 46 Cb 0.15 -0.06 0.69 0.00 1.12 0.00 0.00 29.99 31.88 1rqm n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rqm h ALA 47 N 0.00 2.90 0.00 -1.41 0.00 -0.79 -0.66 119.26 119.30 1rqm h ALA 47 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rqm h ALA 47 Cb 1.16 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1rqm h ALA 47 CO 0.00 -1.28 0.00 -0.25 0.00 0.00 0.00 179.25 177.72 1rqm n ASP 48 N -4.31 0.54 0.11 0.00 8.00 -1.26 0.03 116.55 119.65 1rqm n ASP 48 Ca 0.27 -0.80 -0.22 0.00 0.71 0.00 0.00 54.79 54.75 1rqm n ASP 48 Cb 1.19 0.26 -0.13 0.00 -0.02 0.00 0.00 41.12 42.42 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 0.00 0.55 -5.55 -1.24 3.64 -1.54 -3.46 116.57 108.97 1rqm h LYS 49 Ca 0.00 -0.80 -0.53 0.00 -1.27 0.00 0.00 60.65 58.05 1rqm h LYS 49 Cb 0.07 0.28 -0.14 0.00 -0.41 0.00 0.00 32.23 32.03 1rqm h LYS 49 CO 0.00 1.37 -0.65 0.14 -2.27 0.00 0.00 179.45 178.03 1rqm s VAL 50 N -2.84 1.70 -0.49 2.00 -7.23 -0.80 -4.70 120.40 108.05 1rqm s VAL 50 Ca -0.08 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.03 1rqm s VAL 50 Cb 0.05 -2.62 0.13 0.00 0.56 0.00 0.00 36.38 34.50 1rqm s VAL 50 CO 0.93 -0.19 0.23 0.28 -0.31 0.00 0.00 175.10 176.03 1rqm s THR 51 N -2.96 2.46 -0.32 5.32 -1.32 0.08 -4.64 115.64 114.26 1rqm s THR 51 Ca 0.32 -3.12 -0.14 0.00 -1.21 0.00 0.00 61.69 57.54 1rqm s THR 51 Cb 0.05 -2.73 -0.02 0.00 -1.51 0.00 0.00 72.50 68.29 1rqm s THR 51 CO 0.14 -0.77 0.29 0.54 -2.21 0.00 0.00 174.62 172.61 1rqm s VAL 52 N -0.07 5.24 -0.35 5.08 0.11 -1.26 -0.78 120.40 128.37 1rqm s VAL 52 Ca 0.16 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.25 1rqm s VAL 52 Cb -0.25 -3.72 0.11 0.00 -1.53 0.00 0.00 36.38 30.99 1rqm s VAL 52 CO -0.01 0.02 0.11 0.00 -3.33 0.00 0.00 175.10 171.88 1rqm s ALA 53 N 1.87 2.24 0.31 1.54 0.00 0.25 -4.57 121.76 123.40 1rqm s ALA 53 Ca 0.09 -2.22 -0.28 0.00 0.00 0.00 0.00 51.96 49.55 1rqm s ALA 53 Cb -0.17 -1.82 -0.10 0.00 0.00 0.00 0.00 23.12 21.04 1rqm s ALA 53 CO 0.11 -1.75 1.16 -1.59 0.00 0.00 0.00 175.76 173.69 1rqm s LYS 54 N 1.07 4.47 0.22 0.00 0.00 -1.25 -3.12 119.74 121.13 1rqm s LYS 54 Ca 0.12 1.89 -0.15 0.00 0.00 0.00 0.00 55.97 57.83 1rqm s LYS 54 Cb -0.19 -3.06 0.01 0.00 0.00 0.00 0.00 37.83 34.58 1rqm s LYS 54 CO -0.14 0.03 0.50 -0.48 0.00 0.00 0.00 175.35 175.26 1rqm s LEU 55 N -1.72 0.24 -0.39 2.77 0.05 -0.17 -0.87 118.68 118.58 1rqm s LEU 55 Ca 0.48 -0.73 -0.17 0.00 0.05 0.00 0.00 54.13 53.75 1rqm s LEU 55 Cb -0.33 1.95 0.01 0.00 -2.05 0.00 0.00 46.19 45.77 1rqm s LEU 55 CO 0.43 -1.11 0.45 0.21 -0.55 0.00 0.00 176.35 175.77 1rqm s ASN 56 N -2.95 6.22 0.55 1.48 2.47 -1.26 -2.64 114.94 118.81 1rqm s ASN 56 Ca 0.16 -0.44 0.30 0.00 0.42 0.00 0.00 52.86 53.30 1rqm s ASN 56 Cb -0.01 -2.23 1.57 0.00 -1.45 0.00 0.00 41.25 39.13 1rqm s ASN 56 CO 0.04 -0.52 2.11 1.62 -3.72 0.00 0.00 177.10 176.62 1rqm h VAL 57 N 5.68 0.43 0.00 -5.21 3.04 -1.08 -1.68 116.25 117.43 1rqm h VAL 57 Ca -0.27 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1rqm h VAL 57 Cb 1.12 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 1rqm h VAL 57 CO 0.77 0.08 0.00 -0.67 -1.01 0.00 0.00 177.57 176.75 1rqm n ASP 58 N -3.52 0.00 0.00 3.17 2.03 -1.26 -3.85 116.55 113.12 1rqm n ASP 58 Ca -0.02 -0.38 0.00 0.00 0.52 0.00 0.00 54.79 54.91 1rqm n ASP 58 Cb 0.22 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1rqm n ASP 58 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1rqm n GLU 59 N -1.15 0.13 -3.04 -0.67 2.13 -1.04 -5.03 120.64 111.98 1rqm n GLU 59 Ca 0.15 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.55 1rqm n GLU 59 Cb 0.14 -0.62 -0.06 0.00 0.27 0.00 0.00 31.44 31.17 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 -2.99 6.63 0.15 4.31 3.84 -0.66 -4.92 114.94 121.30 1rqm s ASN 60 Ca 0.00 0.71 0.21 0.00 0.21 0.00 0.00 52.86 53.99 1rqm s ASN 60 Cb 0.00 -2.37 -0.05 0.00 -0.55 0.00 0.00 41.25 38.28 1rqm s ASN 60 CO 0.00 -0.46 0.96 -0.81 -2.79 0.00 0.00 177.10 174.00 1rqm n PRO 61 N 5.89 0.61 -1.68 0.43 -0.04 -1.26 -4.71 135.00 134.23 1rqm n PRO 61 Ca 0.01 0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 63.18 1rqm n PRO 61 Cb 0.48 -1.81 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 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 -3.25 3.33 0.00 0.54 2.56 -1.26 -0.80 118.70 119.81 1rqm s GLU 62 Ca -0.02 2.03 0.00 0.00 0.00 0.00 0.00 54.97 56.99 1rqm s GLU 62 Cb 0.09 -4.31 0.00 0.00 2.00 0.00 0.00 34.13 31.91 1rqm s GLU 62 CO 0.80 -1.88 0.00 2.41 -0.56 0.00 0.00 175.26 176.03 1rqm n THR 63 N 7.34 0.00 -0.09 -1.70 -1.04 -1.26 -4.66 114.28 112.87 1rqm n THR 63 Ca 0.27 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.22 1rqm n THR 63 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 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 0.51 -0.10 12.58 2.02 -1.82 -1.41 112.91 124.68 1rqm h THR 64 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1rqm h THR 64 Cb 0.00 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1rqm h THR 64 CO 0.00 0.00 -0.04 -1.28 0.37 0.00 0.00 175.52 174.57 1rqm h SER 65 N -0.11 -0.12 -0.63 4.18 0.87 -1.24 -1.18 113.55 115.32 1rqm h SER 65 Ca 0.17 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.82 1rqm h SER 65 Cb 0.37 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.35 1rqm h SER 65 CO -0.40 -0.05 0.34 -0.61 -0.53 0.00 0.00 176.83 175.58 1rqm h GLN 66 N -0.02 0.61 -0.40 2.24 5.75 -1.63 -2.03 115.11 119.63 1rqm h GLN 66 Ca 0.05 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1rqm h GLN 66 Cb 0.10 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.51 1rqm h GLN 66 CO -0.11 0.40 0.00 1.19 -2.65 0.00 0.00 178.83 177.66 1rqm n PHE 67 N -4.82 0.50 -2.15 3.99 3.01 -0.59 -4.90 117.46 112.50 1rqm n PHE 67 Ca 0.08 -0.23 -0.11 0.00 1.01 0.00 0.00 57.45 58.20 1rqm n PHE 67 Cb 0.17 -0.04 -0.01 0.00 -0.01 0.00 0.00 39.48 39.59 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 0.90 0.01 3.58 1.37 0.00 -0.76 -4.88 105.19 105.40 1rqm n GLY 68 Ca 0.11 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.54 4.08 0.00 -0.61 -1.09 -0.47 -4.37 121.20 116.21 1rqm s ILE 69 Ca 0.00 -1.69 0.00 0.00 -2.23 0.00 0.00 60.65 56.73 1rqm s ILE 69 Cb 0.00 -5.17 0.00 0.00 -1.58 0.00 0.00 42.46 35.71 1rqm s ILE 69 CO 0.00 -2.01 0.17 0.80 -1.23 0.00 0.00 174.94 172.67 1rqm n MET 70 N 8.50 3.16 -0.17 2.79 1.56 -1.26 -4.86 117.12 126.83 1rqm n MET 70 Ca 0.46 -0.17 -0.02 0.00 -0.27 0.00 0.00 57.70 57.70 1rqm n MET 70 Cb 0.47 -0.61 0.04 0.00 2.15 0.00 0.00 33.22 35.27 1rqm n MET 70 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1rqm n SER 71 N -0.50 2.60 -4.74 6.12 2.88 -1.26 -4.97 113.62 113.74 1rqm n SER 71 Ca 0.00 -2.21 -0.35 0.00 -1.33 0.00 0.00 58.87 54.97 1rqm n SER 71 Cb 0.02 -0.54 0.06 0.00 -0.75 0.00 0.00 64.21 62.99 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 -0.81 2.47 0.15 2.46 -0.00 -1.26 -4.07 121.20 120.13 1rqm s ILE 72 Ca 0.09 0.27 -0.31 0.00 -0.00 0.00 0.00 60.65 60.69 1rqm s ILE 72 Cb 0.07 -3.01 -0.09 0.00 -0.00 0.00 0.00 42.46 39.43 1rqm s ILE 72 CO 0.02 -0.09 1.52 -2.16 -0.00 0.00 0.00 174.94 174.23 1rqm s PRO 73 N -3.55 4.25 0.16 0.37 0.04 -1.26 -4.80 135.00 130.21 1rqm s PRO 73 Ca 0.77 2.27 0.10 0.00 0.04 0.00 0.00 61.00 64.19 1rqm s PRO 73 Cb -0.31 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1rqm s PRO 73 CO 0.38 -0.56 -0.24 0.99 0.04 0.00 0.00 177.00 177.62 1rqm s THR 74 N 1.18 2.17 -0.05 1.26 2.01 -0.50 -0.80 115.64 120.91 1rqm s THR 74 Ca 0.68 -1.88 0.02 0.00 0.31 0.00 0.00 61.69 60.82 1rqm s THR 74 Cb -0.41 -1.98 0.02 0.00 0.01 0.00 0.00 72.50 70.13 1rqm s THR 74 CO 0.31 -0.08 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.86 1rqm s LEU 75 N -2.41 1.48 -0.08 4.42 0.20 0.42 -0.93 118.68 121.79 1rqm s LEU 75 Ca 0.16 -0.19 0.05 0.00 0.69 0.00 0.00 54.13 54.84 1rqm s LEU 75 Cb -0.08 -0.58 -0.00 0.00 -0.43 0.00 0.00 46.19 45.09 1rqm s LEU 75 CO 0.08 -0.01 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.26 1rqm s ILE 76 N 0.77 1.98 0.03 6.68 1.01 -1.12 -0.27 121.20 130.27 1rqm s ILE 76 Ca -0.12 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.38 1rqm s ILE 76 Cb -0.15 -1.69 -0.06 0.00 0.01 0.00 0.00 42.46 40.57 1rqm s ILE 76 CO 0.02 0.55 0.45 -0.22 0.00 0.00 0.00 174.94 175.73 1rqm s LEU 77 N 0.12 4.46 0.09 2.97 0.20 0.09 -0.92 118.68 125.69 1rqm s LEU 77 Ca -0.11 1.00 -0.04 0.00 0.69 0.00 0.00 54.13 55.68 1rqm s LEU 77 Cb -0.16 -2.74 -0.03 0.00 -0.43 0.00 0.00 46.19 42.84 1rqm s LEU 77 CO 0.06 0.28 0.08 -0.36 -0.29 0.00 0.00 176.35 176.12 1rqm s PHE 78 N -1.15 0.50 -0.04 5.38 0.08 0.13 0.15 117.98 123.03 1rqm s PHE 78 Ca 0.27 -0.96 -0.29 0.00 0.12 0.00 0.00 56.93 56.07 1rqm s PHE 78 Cb -0.17 -0.29 0.09 0.00 -0.57 0.00 0.00 43.02 42.08 1rqm s PHE 78 CO 0.15 -0.49 0.79 -1.59 -0.10 0.00 0.00 175.22 173.98 1rqm s LYS 79 N -3.94 0.92 -1.10 0.44 0.00 -0.09 -2.02 119.74 113.94 1rqm s LYS 79 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 55.97 56.10 1rqm s LYS 79 Cb 0.07 0.43 0.00 0.00 0.00 0.00 0.00 37.83 38.33 1rqm s LYS 79 CO -0.06 -0.33 0.00 0.41 0.00 0.00 0.00 175.35 175.37 1rqm n GLY 80 N 0.45 1.04 0.89 0.59 0.00 0.67 -1.06 105.19 107.78 1rqm n GLY 80 Ca -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.22 0.97 3.96 -0.02 0.00 0.58 -4.80 105.19 105.65 1rqm n GLY 81 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1rqm n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rqm s GLU 82 N -0.71 3.46 0.69 1.61 2.02 -0.22 -4.88 118.70 120.66 1rqm s GLU 82 Ca 0.00 -0.57 -0.12 0.00 0.02 0.00 0.00 54.97 54.31 1rqm s GLU 82 Cb 0.00 -2.79 0.17 0.00 0.10 0.00 0.00 34.13 31.61 1rqm s GLU 82 CO 0.00 0.31 0.61 -0.35 0.02 0.00 0.00 175.26 175.85 1rqm n PRO 83 N -1.53 -2.21 0.00 0.39 -0.04 -1.26 -0.91 135.00 129.44 1rqm n PRO 83 Ca -0.07 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 1rqm n PRO 83 Cb 0.56 -0.91 0.00 0.00 -0.04 0.00 0.00 33.50 33.11 1rqm n PRO 83 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1rqm n VAL 84 N -3.82 0.00 -3.84 0.52 0.31 0.12 -4.35 118.33 107.27 1rqm n VAL 84 Ca 0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.30 1rqm n VAL 84 Cb 0.33 -0.61 -0.10 0.00 -0.91 0.00 0.00 33.84 32.55 1rqm n VAL 84 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1rqm s LYS 85 N -1.77 0.46 -0.10 5.55 1.02 -1.19 -5.00 119.74 118.72 1rqm s LYS 85 Ca 0.00 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 55.78 1rqm s LYS 85 Cb 0.00 0.20 -0.01 0.00 -0.52 0.00 0.00 37.83 37.50 1rqm s LYS 85 CO 0.00 -0.11 -0.19 -1.14 -0.92 0.00 0.00 175.35 172.99 1rqm s GLN 86 N -1.09 3.02 -0.00 1.68 0.74 -1.26 -0.73 119.66 122.02 1rqm s GLN 86 Ca -0.12 -0.80 0.06 0.00 0.05 0.00 0.00 55.36 54.56 1rqm s GLN 86 Cb -0.06 -2.40 -0.02 0.00 1.10 0.00 0.00 33.01 31.63 1rqm s GLN 86 CO 0.02 0.27 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.33 1rqm s LEU 87 N 0.14 2.06 -0.02 3.68 2.01 0.62 -5.01 118.68 122.17 1rqm s LEU 87 Ca -0.10 -0.38 -0.03 0.00 0.01 0.00 0.00 54.13 53.63 1rqm s LEU 87 Cb -0.16 -0.96 0.01 0.00 0.01 0.00 0.00 46.19 45.09 1rqm s LEU 87 CO 0.06 0.21 0.07 0.27 1.01 0.00 0.00 176.35 177.97 1rqm s ILE 88 N -0.52 0.01 0.00 -0.59 -0.00 -1.26 -0.44 121.20 118.40 1rqm s ILE 88 Ca 0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 60.65 60.62 1rqm s ILE 88 Cb -0.08 -0.14 0.00 0.00 -0.00 0.00 0.00 42.46 42.24 1rqm s ILE 88 CO -0.00 -0.05 0.00 0.61 -0.00 0.00 0.00 174.94 175.49 1rqm n GLY 89 N 2.86 -0.00 3.48 6.27 0.00 0.02 -4.74 105.19 113.08 1rqm n GLY 89 Ca -0.14 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 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 0.13 3.68 -2.28 1.61 4.19 -1.26 -4.82 117.16 118.41 1rqm n TYR 90 Ca 0.00 -2.27 -0.41 0.00 3.31 0.00 0.00 57.90 58.52 1rqm n TYR 90 Cb 0.00 -2.57 -0.03 0.00 0.49 0.00 0.00 39.34 37.23 1rqm n TYR 90 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 1rqm s GLN 91 N 5.03 4.42 0.99 2.98 -1.52 -1.26 -5.04 119.66 125.25 1rqm s GLN 91 Ca 0.59 1.97 -0.12 0.00 -1.95 0.00 0.00 55.36 55.85 1rqm s GLN 91 Cb 0.04 -3.23 0.18 0.00 -0.22 0.00 0.00 33.01 29.78 1rqm s GLN 91 CO 0.09 -0.21 1.08 -1.25 -0.25 0.00 0.00 175.29 174.75 1rqm s PRO 92 N 0.06 0.53 0.21 2.91 0.04 -1.26 -4.70 135.00 132.79 1rqm s PRO 92 Ca 0.56 0.70 -0.09 0.00 0.04 0.00 0.00 61.00 62.22 1rqm s PRO 92 Cb -0.35 -1.73 0.29 0.00 0.04 0.00 0.00 34.50 32.75 1rqm s PRO 92 CO 0.36 -2.71 1.77 -0.22 0.04 0.00 0.00 177.00 176.24 1rqm h LYS 93 N -1.88 0.51 -0.73 4.56 3.11 -1.96 -0.22 116.57 119.97 1rqm h LYS 93 Ca -0.53 -0.03 0.14 0.00 -2.81 0.00 0.00 60.65 57.41 1rqm h LYS 93 Cb 1.31 -0.12 -0.09 0.00 -1.00 0.00 0.00 32.23 32.33 1rqm h LYS 93 CO 0.55 0.34 0.26 0.93 -2.81 0.00 0.00 179.45 178.72 1rqm h GLU 94 N 0.53 0.38 -0.02 1.90 3.07 -1.98 -0.11 114.58 118.35 1rqm h GLU 94 Ca 0.32 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 58.96 1rqm h GLU 94 Cb 0.34 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1rqm h GLU 94 CO -0.27 0.25 -0.74 0.37 -1.40 0.00 0.00 179.01 177.23 1rqm h GLN 95 N 0.40 0.54 0.42 2.33 -0.00 -1.44 -0.49 115.11 116.87 1rqm h GLN 95 Ca 0.40 -0.55 -0.01 0.00 -0.00 0.00 0.00 58.65 58.48 1rqm h GLN 95 Cb 0.61 0.15 -0.02 0.00 0.00 0.00 0.00 27.48 28.22 1rqm h GLN 95 CO -0.41 1.18 -0.43 1.25 0.00 0.00 0.00 178.83 180.42 1rqm h LEU 96 N 0.12 -1.17 -1.10 -2.39 7.12 -0.69 0.28 115.31 117.47 1rqm h LEU 96 Ca -0.09 0.09 0.01 0.00 0.13 0.00 0.00 57.88 58.03 1rqm h LEU 96 Cb 1.42 0.38 -0.05 0.00 -0.53 0.00 0.00 40.66 41.89 1rqm h LEU 96 CO 0.15 -0.56 0.61 -0.33 -0.13 0.00 0.00 178.44 178.17 1rqm h GLU 97 N -0.85 1.20 -0.39 1.25 4.39 -1.11 -0.82 114.58 118.25 1rqm h GLU 97 Ca -0.05 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 1rqm h GLU 97 Cb 0.73 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1rqm h GLU 97 CO -0.05 0.79 -0.13 0.00 -1.16 0.00 0.00 179.01 178.46 1rqm h ALA 98 N 1.43 1.05 0.00 3.43 0.00 -0.58 0.43 119.26 125.03 1rqm h ALA 98 Ca 0.34 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1rqm h ALA 98 Cb -0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1rqm h ALA 98 CO -0.08 0.58 -0.16 0.37 0.00 0.00 0.00 179.25 179.96 1rqm h GLN 99 N 0.63 0.00 -0.01 0.00 5.75 0.14 -3.33 115.11 118.29 1rqm h GLN 99 Ca 0.11 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1rqm h GLN 99 Cb 0.58 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.13 1rqm h GLN 99 CO 0.04 0.16 -0.05 1.28 -2.65 0.00 0.00 178.83 177.60 1rqm n LEU 100 N -3.16 1.35 -0.28 -2.39 4.32 -0.37 -4.76 117.00 111.71 1rqm n LEU 100 Ca 0.03 -0.91 0.18 0.00 -0.02 0.00 0.00 56.01 55.29 1rqm n LEU 100 Cb 0.55 0.00 0.47 0.00 -1.62 0.00 0.00 43.42 42.82 1rqm n LEU 100 CO 0.35 0.28 1.22 0.00 -1.22 0.00 0.00 177.39 178.02 1rqm h ALA 101 N 1.29 2.10 0.00 -1.18 0.00 -0.25 0.18 119.26 121.39 1rqm h ALA 101 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rqm h ALA 101 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1rqm h ALA 101 CO 0.00 -0.43 0.00 -0.40 0.00 0.00 0.00 179.25 178.42 1rqm n ASP 102 N -4.58 0.17 -0.06 0.00 5.75 -1.26 -0.49 116.55 116.08 1rqm n ASP 102 Ca 0.21 0.56 0.04 0.00 -0.01 0.00 0.00 54.79 55.59 1rqm n ASP 102 Cb 0.70 -0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 40.17 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 -1.70 0.00 0.98 2.12 3.14 0.59 -4.55 118.33 118.90 1rqm n VAL 103 Ca 0.01 -0.33 0.11 0.00 -2.96 0.00 0.00 64.34 61.17 1rqm n VAL 103 Cb 0.09 1.03 -0.02 0.00 -1.06 0.00 0.00 33.84 33.87 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 -0.94 0.85 0.00 6.55 7.99 -0.39 -4.93 117.00 126.12 1rqm n LEU 104 Ca 0.02 -0.35 0.00 0.00 -0.01 0.00 0.00 56.01 55.67 1rqm n LEU 104 Cb 0.15 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 1rqm n LEU 104 CO 0.16 0.21 0.15 1.67 -1.51 0.00 0.00 177.39 178.07