#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4dfr s ILE 2 N 0.00 3.58 -0.03 3.17 1.01 -1.26 -1.13 121.20 126.54 4dfr s ILE 2 Ca 0.00 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.95 4dfr s ILE 2 Cb 0.00 -2.53 -0.00 0.00 0.01 0.00 0.00 42.46 39.94 4dfr s ILE 2 CO 0.00 0.44 -0.14 -0.44 0.00 0.00 0.00 174.94 174.80 4dfr s SER 3 N -1.27 1.69 -0.15 3.58 0.01 -0.29 -0.93 113.70 116.34 4dfr s SER 3 Ca 0.16 -0.27 -0.13 0.00 1.31 0.00 0.00 55.95 57.02 4dfr s SER 3 Cb -0.11 -0.37 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 4dfr s SER 3 CO 0.06 0.13 0.28 -0.76 0.41 0.00 0.00 173.24 173.36 4dfr s LEU 4 N -0.03 4.27 -0.13 2.44 1.02 -0.71 -0.67 118.68 124.87 4dfr s LEU 4 Ca -0.01 0.52 0.02 0.00 0.02 0.00 0.00 54.13 54.68 4dfr s LEU 4 Cb -0.09 -2.34 -0.00 0.00 0.02 0.00 0.00 46.19 43.78 4dfr s LEU 4 CO 0.01 0.15 -0.19 -0.51 0.02 0.00 0.00 176.35 175.83 4dfr s ILE 5 N 0.21 2.47 0.01 -0.59 2.07 -0.84 -0.84 121.20 123.69 4dfr s ILE 5 Ca 0.16 -0.86 -0.12 0.00 -1.41 0.00 0.00 60.65 58.42 4dfr s ILE 5 Cb -0.13 -2.00 0.01 0.00 0.13 0.00 0.00 42.46 40.47 4dfr s ILE 5 CO 0.04 0.54 0.25 0.00 -1.91 0.00 0.00 174.94 173.86 4dfr s ALA 6 N 0.57 -0.60 -0.18 1.50 0.00 -0.44 -4.49 121.76 118.12 4dfr s ALA 6 Ca -0.11 0.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.79 4dfr s ALA 6 Cb -0.16 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 4dfr s ALA 6 CO 0.04 -0.29 0.31 0.00 0.00 0.00 0.00 175.76 175.81 4dfr s ALA 7 N -1.75 3.58 -0.11 0.00 0.00 -1.26 -1.05 121.76 121.18 4dfr s ALA 7 Ca -0.11 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.34 4dfr s ALA 7 Cb -0.04 -2.45 0.01 0.00 0.00 0.00 0.00 23.12 20.64 4dfr s ALA 7 CO 0.01 -0.05 -0.15 -0.51 0.00 0.00 0.00 175.76 175.05 4dfr s LEU 8 N 0.78 1.73 0.87 0.00 1.02 0.38 -4.63 118.68 118.83 4dfr s LEU 8 Ca 0.16 -0.42 -0.11 0.00 0.02 0.00 0.00 54.13 53.77 4dfr s LEU 8 Cb -0.13 -1.08 0.16 0.00 0.02 0.00 0.00 46.19 45.15 4dfr s LEU 8 CO 0.05 0.02 1.21 0.00 0.02 0.00 0.00 176.35 177.65 4dfr s ALA 9 N 0.94 2.69 0.41 4.21 0.00 0.04 -1.15 121.76 128.89 4dfr s ALA 9 Ca -0.08 -1.27 -0.25 0.00 0.00 0.00 0.00 51.96 50.37 4dfr s ALA 9 Cb -0.15 -2.59 -0.10 0.00 0.00 0.00 0.00 23.12 20.27 4dfr s ALA 9 CO -0.01 -2.06 1.14 0.28 0.00 0.00 0.00 175.76 175.12 4dfr n VAL 10 N -3.44 2.46 -1.66 0.00 0.31 -1.00 -1.74 118.33 113.26 4dfr n VAL 10 Ca 0.14 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 4dfr n VAL 10 Cb 0.60 -1.35 -0.04 0.00 -0.91 0.00 0.00 33.84 32.14 4dfr n VAL 10 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 4dfr n ASP 11 N 0.42 -4.36 -1.01 4.52 8.00 -1.26 -3.15 116.55 119.70 4dfr n ASP 11 Ca 0.08 0.21 -0.10 0.00 0.71 0.00 0.00 54.79 55.69 4dfr n ASP 11 Cb 0.39 -3.18 -0.02 0.00 -0.02 0.00 0.00 41.12 38.29 4dfr n ASP 11 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 4dfr n ARG 12 N -2.50 -0.76 -2.42 -1.24 1.74 -0.71 -4.86 116.66 105.91 4dfr n ARG 12 Ca -0.14 0.62 -0.42 0.00 -0.77 0.00 0.00 57.85 57.14 4dfr n ARG 12 Cb 0.49 -4.63 -0.03 0.00 -1.02 0.00 0.00 32.46 27.27 4dfr n ARG 12 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 4dfr s VAL 13 N -2.46 4.12 0.00 1.55 1.01 -1.19 -0.79 120.40 122.64 4dfr s VAL 13 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.46 4dfr s VAL 13 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.43 4dfr s VAL 13 CO 0.00 0.03 0.00 2.30 0.00 0.00 0.00 175.10 177.43 4dfr n ILE 14 N 4.41 0.00 -3.58 2.22 -5.35 -0.38 -0.78 119.36 115.89 4dfr n ILE 14 Ca 0.11 -0.14 -0.15 0.00 -0.27 0.00 0.00 62.75 62.30 4dfr n ILE 14 Cb 0.46 0.63 -0.07 0.00 -1.74 0.00 0.00 39.64 38.92 4dfr n ILE 14 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 4dfr s GLY 15 N -1.65 -0.52 0.47 3.28 0.00 -1.08 -4.99 107.32 102.84 4dfr s GLY 15 Ca 0.00 1.79 0.04 0.00 0.00 0.00 0.00 44.72 46.55 4dfr s GLY 15 CO 0.00 1.41 0.09 1.06 0.00 0.00 0.00 173.10 175.65 4dfr s MET 16 N -0.32 2.14 0.31 2.90 -1.94 -1.26 -1.67 119.30 119.47 4dfr s MET 16 Ca -0.04 -2.18 0.15 0.00 -1.71 0.00 0.00 55.69 51.91 4dfr s MET 16 Cb -0.03 -1.71 0.46 0.00 2.01 0.00 0.00 34.83 35.56 4dfr s MET 16 CO 0.04 -0.26 1.64 0.93 -0.01 0.00 0.00 175.02 177.36 4dfr h GLU 17 N 1.40 0.00 0.00 2.03 5.08 -1.96 -3.45 114.58 117.68 4dfr h GLU 17 Ca -0.43 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.71 4dfr h GLU 17 Cb 1.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 4dfr h GLU 17 CO 0.73 0.51 -0.14 0.09 -1.00 0.00 0.00 179.01 179.21 4dfr n ASN 18 N -3.60 2.09 -4.61 1.42 3.02 -1.26 -5.09 115.26 107.23 4dfr n ASN 18 Ca -0.00 -1.73 -0.42 0.00 -0.03 0.00 0.00 54.58 52.40 4dfr n ASN 18 Cb 0.59 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 4dfr n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 4dfr n ALA 19 N -2.51 0.21 -1.78 5.41 0.00 -1.26 -4.93 120.51 115.65 4dfr n ALA 19 Ca -0.07 0.28 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 4dfr n ALA 19 Cb 0.22 -2.08 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 4dfr n ALA 19 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 4dfr s MET 20 N -1.90 4.15 -1.28 0.00 1.00 -1.26 -4.92 119.30 115.09 4dfr s MET 20 Ca 0.61 2.51 -0.07 0.00 0.00 0.00 0.00 55.69 58.74 4dfr s MET 20 Cb -0.59 -3.00 0.16 0.00 0.00 0.00 0.00 34.83 31.40 4dfr s MET 20 CO 0.58 -0.51 2.09 -0.35 0.00 0.00 0.00 175.02 176.84 4dfr n PRO 21 N 1.03 4.19 -3.62 2.03 -0.04 -1.26 -4.83 135.00 132.49 4dfr n PRO 21 Ca 0.03 -3.59 -0.11 0.00 -0.04 0.00 0.00 63.50 59.79 4dfr n PRO 21 Cb 0.39 -2.75 -0.05 0.00 -0.04 0.00 0.00 33.50 31.06 4dfr n PRO 21 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 4dfr s TRP 22 N -0.67 -0.25 -0.30 0.54 -2.14 -1.26 -5.07 118.94 109.79 4dfr s TRP 22 Ca 0.46 0.01 0.00 0.00 2.66 0.00 0.00 56.10 59.22 4dfr s TRP 22 Cb 0.14 0.28 0.09 0.00 -3.10 0.00 0.00 33.47 30.88 4dfr s TRP 22 CO -0.04 -0.69 0.08 1.21 -2.66 0.00 0.00 176.95 174.85 4dfr s ASN 23 N -2.63 4.09 -0.50 -2.66 2.47 -1.26 -5.02 114.94 109.43 4dfr s ASN 23 Ca 0.01 -1.65 0.07 0.00 0.42 0.00 0.00 52.86 51.71 4dfr s ASN 23 Cb 0.01 -1.01 0.24 0.00 -1.45 0.00 0.00 41.25 39.04 4dfr s ASN 23 CO -0.10 -0.39 0.58 0.18 -3.72 0.00 0.00 177.10 173.65 4dfr n LEU 24 N 4.74 1.54 0.24 3.21 4.77 -1.26 -0.86 117.00 129.37 4dfr n LEU 24 Ca -0.02 -4.96 0.14 0.00 -0.03 0.00 0.00 56.01 51.15 4dfr n LEU 24 Cb 0.42 0.09 0.81 0.00 -2.33 0.00 0.00 43.42 42.41 4dfr n LEU 24 CO 0.14 2.03 1.12 1.55 -1.33 0.00 0.00 177.39 180.90 4dfr h PRO 25 N 4.28 0.00 -0.71 3.23 0.13 -1.97 -0.73 132.00 136.23 4dfr h PRO 25 Ca 0.14 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.32 4dfr h PRO 25 Cb 0.80 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.87 4dfr h PRO 25 CO 0.60 0.00 0.41 0.00 -0.23 0.00 0.00 178.00 178.78 4dfr h ALA 26 N 1.91 0.96 -0.19 -0.56 0.00 -1.91 -0.70 119.26 118.76 4dfr h ALA 26 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 4dfr h ALA 26 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 4dfr h ALA 26 CO -0.00 0.11 0.09 0.22 0.00 0.00 0.00 179.25 179.67 4dfr h ASP 27 N 0.76 0.26 -0.37 0.00 3.58 -1.57 -2.11 116.42 116.96 4dfr h ASP 27 Ca 0.31 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.59 4dfr h ASP 27 Cb 0.17 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 4dfr h ASP 27 CO -0.17 0.33 0.13 -0.07 -2.88 0.00 0.00 179.24 176.57 4dfr h LEU 28 N 0.17 0.59 -0.51 2.28 3.38 -1.08 -1.12 115.31 119.02 4dfr h LEU 28 Ca 0.07 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 4dfr h LEU 28 Cb 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 4dfr h LEU 28 CO -0.01 0.58 -0.73 0.00 0.09 0.00 0.00 178.44 178.37 4dfr h ALA 29 N 1.51 0.77 -0.05 1.53 0.00 -1.07 -0.52 119.26 121.44 4dfr h ALA 29 Ca 0.15 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 4dfr h ALA 29 Cb 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 4dfr h ALA 29 CO -0.01 0.91 -0.03 2.35 0.00 0.00 0.00 179.25 182.48 4dfr h TRP 30 N 0.00 0.12 0.34 0.00 2.91 -1.17 -2.11 115.95 116.05 4dfr h TRP 30 Ca -0.01 -0.03 -0.00 0.00 1.13 0.00 0.00 58.89 59.98 4dfr h TRP 30 Cb 1.31 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 29.90 4dfr h TRP 30 CO 0.00 0.53 -0.51 0.35 -1.03 0.00 0.00 178.44 177.78 4dfr h PHE 31 N -0.32 -1.44 -0.80 2.65 3.57 -1.07 -1.72 116.94 117.81 4dfr h PHE 31 Ca 0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 4dfr h PHE 31 Cb 0.50 0.58 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 4dfr h PHE 31 CO 0.08 -0.64 0.48 -0.22 -2.23 0.00 0.00 178.31 175.78 4dfr h LYS 32 N -0.90 1.10 -0.57 1.11 3.64 -0.97 -2.13 116.57 117.85 4dfr h LYS 32 Ca -0.04 -0.11 0.10 0.00 -1.27 0.00 0.00 60.65 59.33 4dfr h LYS 32 Cb 0.83 -0.23 -0.08 0.00 -0.41 0.00 0.00 32.23 32.34 4dfr h LYS 32 CO -0.16 0.78 0.15 -0.09 -2.27 0.00 0.00 179.45 177.87 4dfr h ARG 33 N 1.11 0.29 -0.00 1.90 2.43 -1.25 -0.80 114.38 118.05 4dfr h ARG 33 Ca 0.29 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 4dfr h ARG 33 Cb -0.03 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 4dfr h ARG 33 CO -0.05 0.19 -0.13 0.09 -1.51 0.00 0.00 179.97 178.56 4dfr n ASN 34 N -5.08 0.56 -0.00 -3.80 3.02 -0.66 -4.15 115.26 105.15 4dfr n ASN 34 Ca 0.08 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 4dfr n ASN 34 Cb 0.28 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.40 4dfr n ASN 34 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 4dfr n THR 35 N -0.90 0.00 -1.63 3.41 -2.24 -0.82 -5.00 114.28 107.10 4dfr n THR 35 Ca 0.14 -0.02 -0.45 0.00 -2.27 0.00 0.00 64.05 61.45 4dfr n THR 35 Cb 0.29 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 4dfr n THR 35 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 4dfr n LEU 36 N -1.54 2.45 -2.40 3.22 7.94 -0.36 -2.04 117.00 124.27 4dfr n LEU 36 Ca -0.00 1.17 -0.20 0.00 -1.11 0.00 0.00 56.01 55.86 4dfr n LEU 36 Cb 0.03 -1.35 -0.01 0.00 0.53 0.00 0.00 43.42 42.62 4dfr n LEU 36 CO 0.02 -0.95 -0.26 0.47 -1.11 0.00 0.00 177.39 175.56 4dfr n ASP 37 N 1.53 -5.82 -4.14 1.96 8.00 -0.95 -4.98 116.55 112.16 4dfr n ASP 37 Ca 0.10 -0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.46 4dfr n ASP 37 Cb 0.31 -4.85 -0.11 0.00 -0.02 0.00 0.00 41.12 36.46 4dfr n ASP 37 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 4dfr s LYS 38 N -5.04 0.75 0.22 -1.24 1.02 -0.87 -5.02 119.74 109.56 4dfr s LYS 38 Ca 0.00 -1.03 -0.30 0.00 0.02 0.00 0.00 55.97 54.66 4dfr s LYS 38 Cb 0.00 -0.47 -0.08 0.00 -0.52 0.00 0.00 37.83 36.76 4dfr s LYS 38 CO 0.00 0.08 1.04 -1.25 -0.92 0.00 0.00 175.35 174.29 4dfr s PRO 39 N -2.41 4.70 -0.22 -1.68 0.04 -1.26 -3.41 135.00 130.75 4dfr s PRO 39 Ca 0.01 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 4dfr s PRO 39 Cb -0.05 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 4dfr s PRO 39 CO -0.00 0.26 0.16 0.14 0.04 0.00 0.00 177.00 177.60 4dfr s VAL 40 N -0.73 5.37 -0.04 -0.36 -7.23 -0.45 -2.03 120.40 114.92 4dfr s VAL 40 Ca 0.45 0.22 -0.02 0.00 -1.81 0.00 0.00 61.98 60.83 4dfr s VAL 40 Cb -0.28 -3.50 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 4dfr s VAL 40 CO 0.35 0.38 0.07 -0.63 -0.31 0.00 0.00 175.10 174.96 4dfr s ILE 41 N 0.78 4.77 0.16 -0.62 1.01 0.56 -1.28 121.20 126.58 4dfr s ILE 41 Ca 0.09 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 4dfr s ILE 41 Cb -0.13 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.23 4dfr s ILE 41 CO 0.02 0.45 0.35 0.00 0.00 0.00 0.00 174.94 175.76 4dfr s MET 42 N -1.44 1.17 0.62 2.79 0.23 -0.77 -1.25 119.30 120.65 4dfr s MET 42 Ca 0.20 -1.01 0.01 0.00 -1.03 0.00 0.00 55.69 53.86 4dfr s MET 42 Cb -0.12 0.42 0.08 0.00 -1.53 0.00 0.00 34.83 33.68 4dfr s MET 42 CO 0.10 -0.45 0.86 0.20 -2.03 0.00 0.00 175.02 173.70 4dfr s GLY 43 N -2.91 1.79 0.13 3.16 0.00 -0.01 -1.10 107.32 108.39 4dfr s GLY 43 Ca 0.12 -1.59 -0.19 0.00 0.00 0.00 0.00 44.72 43.05 4dfr s GLY 43 CO -0.03 -1.17 1.73 -0.09 0.00 0.00 0.00 173.10 173.54 4dfr h ARG 44 N -0.15 0.11 -0.65 2.90 2.43 -1.91 0.15 114.38 117.25 4dfr h ARG 44 Ca -0.38 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 58.89 4dfr h ARG 44 Cb 1.28 -0.03 -0.12 0.00 -0.42 0.00 0.00 29.97 30.69 4dfr h ARG 44 CO 0.46 0.07 -0.36 1.25 -1.51 0.00 0.00 179.97 179.88 4dfr h HIS 45 N 0.12 -1.01 0.06 2.20 2.76 -1.97 -0.23 115.15 117.08 4dfr h HIS 45 Ca 0.09 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 4dfr h HIS 45 Cb 0.09 0.54 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 4dfr h HIS 45 CO -0.15 -0.39 -0.07 1.15 -1.30 0.00 0.00 177.93 177.17 4dfr h THR 46 N -0.15 0.84 -0.86 6.26 2.02 -1.83 -2.32 112.91 116.87 4dfr h THR 46 Ca 0.24 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.60 4dfr h THR 46 Cb 0.56 0.84 -0.11 0.00 -1.74 0.00 0.00 68.15 67.70 4dfr h THR 46 CO -0.73 0.00 0.40 -0.25 0.37 0.00 0.00 175.52 175.32 4dfr h TRP 47 N -0.15 0.69 0.00 3.16 2.91 -0.40 -1.82 115.95 120.33 4dfr h TRP 47 Ca 0.01 0.04 -0.04 0.00 1.13 0.00 0.00 58.89 60.02 4dfr h TRP 47 Cb 0.15 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.63 4dfr h TRP 47 CO -0.11 0.06 -0.21 0.93 -1.03 0.00 0.00 178.44 178.08 4dfr h GLU 48 N 0.50 0.00 0.01 2.65 5.08 -0.82 -2.32 114.58 119.67 4dfr h GLU 48 Ca 0.50 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.65 4dfr h GLU 48 Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 4dfr h GLU 48 CO -0.45 0.21 -0.93 0.77 -1.00 0.00 0.00 179.01 177.61 4dfr h SER 49 N 0.00 0.36 0.08 1.42 0.02 -0.94 -3.12 113.55 111.37 4dfr h SER 49 Ca -0.00 -0.30 -0.28 0.00 -0.84 0.00 0.00 61.79 60.37 4dfr h SER 49 Cb 0.72 -0.11 0.02 0.00 0.14 0.00 0.00 62.40 63.18 4dfr h SER 49 CO 0.03 1.11 -1.13 0.40 -1.14 0.00 0.00 176.83 176.10 4dfr h ILE 50 N 0.15 1.29 0.00 3.27 2.04 -0.89 -3.47 117.51 119.89 4dfr h ILE 50 Ca -0.06 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.44 4dfr h ILE 50 Cb 1.57 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 40.17 4dfr h ILE 50 CO 0.15 0.72 0.00 0.61 0.00 0.00 0.00 178.15 179.63 4dfr n GLY 51 N 1.20 3.04 2.88 5.37 0.00 -0.92 -4.98 105.19 111.79 4dfr n GLY 51 Ca -0.12 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 4dfr n GLY 51 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 4dfr n ARG 52 N 0.00 0.71 -2.32 1.61 0.00 -1.26 -5.05 116.66 110.34 4dfr n ARG 52 Ca 0.00 -2.12 -0.41 0.00 -0.00 0.00 0.00 57.85 55.32 4dfr n ARG 52 Cb 0.00 2.24 -0.03 0.00 -0.00 0.00 0.00 32.46 34.66 4dfr n ARG 52 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 4dfr s PRO 53 N -2.44 4.49 0.08 2.89 0.02 -1.26 -4.97 135.00 133.80 4dfr s PRO 53 Ca 0.20 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 62.87 4dfr s PRO 53 Cb -0.02 -3.18 -0.06 0.00 0.02 0.00 0.00 34.50 31.26 4dfr s PRO 53 CO 0.14 -0.04 1.16 -0.51 -0.33 0.00 0.00 177.00 177.43 4dfr s LEU 54 N -0.94 4.39 0.07 -5.54 1.43 -1.26 -4.98 118.68 111.84 4dfr s LEU 54 Ca 0.50 2.00 -0.33 0.00 -1.03 0.00 0.00 54.13 55.27 4dfr s LEU 54 Cb -0.35 -3.58 -0.12 0.00 0.03 0.00 0.00 46.19 42.17 4dfr s LEU 54 CO 0.42 -0.41 1.76 -0.81 0.23 0.00 0.00 176.35 177.54 4dfr n PRO 55 N 3.64 2.35 -0.95 1.29 -0.04 -1.26 -3.54 135.00 136.49 4dfr n PRO 55 Ca 0.08 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 4dfr n PRO 55 Cb 0.47 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 4dfr n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 4dfr n GLY 56 N 3.99 0.45 3.17 0.55 0.00 -1.26 -4.90 105.19 107.20 4dfr n GLY 56 Ca 0.19 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 4dfr n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4dfr s ARG 57 N -1.17 0.80 -0.28 1.61 0.52 -1.23 -2.24 118.95 116.95 4dfr s ARG 57 Ca 0.00 -1.12 -0.16 0.00 -0.52 0.00 0.00 55.73 53.93 4dfr s ARG 57 Cb 0.00 0.29 -0.03 0.00 0.52 0.00 0.00 34.95 35.73 4dfr s ARG 57 CO 0.00 -0.22 0.41 0.21 0.02 0.00 0.00 175.30 175.72 4dfr s LYS 58 N -3.91 3.94 -0.50 3.54 2.20 -1.22 -4.85 119.74 118.94 4dfr s LYS 58 Ca 0.09 0.02 -0.28 0.00 -0.36 0.00 0.00 55.97 55.44 4dfr s LYS 58 Cb 0.06 -3.69 0.01 0.00 -1.51 0.00 0.00 37.83 32.71 4dfr s LYS 58 CO -0.08 -0.35 1.41 -0.80 -0.36 0.00 0.00 175.35 175.17 4dfr s ASN 59 N 1.65 6.21 -0.12 1.43 0.02 -1.26 -1.34 114.94 121.52 4dfr s ASN 59 Ca 0.16 0.51 -0.00 0.00 -1.02 0.00 0.00 52.86 52.51 4dfr s ASN 59 Cb -0.16 -2.54 -0.02 0.00 0.02 0.00 0.00 41.25 38.55 4dfr s ASN 59 CO 0.10 -1.60 -0.11 -0.63 0.02 0.00 0.00 177.10 174.89 4dfr s ILE 60 N 5.83 3.30 -0.15 0.60 1.01 -0.40 -1.70 121.20 129.68 4dfr s ILE 60 Ca 0.56 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.64 4dfr s ILE 60 Cb -0.12 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 39.98 4dfr s ILE 60 CO 0.28 0.53 -0.16 -0.63 0.00 0.00 0.00 174.94 174.96 4dfr s ILE 61 N 0.14 1.72 -0.44 2.92 1.09 0.71 -1.84 121.20 125.50 4dfr s ILE 61 Ca -0.05 -0.74 -0.17 0.00 -1.10 0.00 0.00 60.65 58.59 4dfr s ILE 61 Cb -0.15 -1.58 0.03 0.00 -1.06 0.00 0.00 42.46 39.71 4dfr s ILE 61 CO 0.04 0.48 0.44 -0.22 -0.10 0.00 0.00 174.94 175.58 4dfr s LEU 62 N 1.29 4.99 -0.28 2.97 2.96 -0.26 0.79 118.68 131.14 4dfr s LEU 62 Ca 0.02 -0.80 -0.23 0.00 -0.22 0.00 0.00 54.13 52.90 4dfr s LEU 62 Cb -0.13 -2.35 0.10 0.00 0.50 0.00 0.00 46.19 44.30 4dfr s LEU 62 CO -0.09 -0.61 0.84 -0.55 -1.32 0.00 0.00 176.35 174.62 4dfr s SER 63 N 1.98 -0.67 0.16 3.68 0.15 -0.37 -3.51 113.70 115.13 4dfr s SER 63 Ca 0.11 1.22 -0.03 0.00 0.70 0.00 0.00 55.95 57.95 4dfr s SER 63 Cb -0.18 1.25 0.01 0.00 -1.71 0.00 0.00 66.02 65.39 4dfr s SER 63 CO 0.12 -0.21 1.40 0.77 1.20 0.00 0.00 173.24 176.52 4dfr h SER 64 N 5.21 0.52 -4.25 5.45 4.64 -1.85 -3.35 113.55 119.92 4dfr h SER 64 Ca -0.29 -0.36 -0.49 0.00 -0.47 0.00 0.00 61.79 60.18 4dfr h SER 64 Cb 1.18 -0.16 0.04 0.00 -0.31 0.00 0.00 62.40 63.15 4dfr h SER 64 CO 0.10 1.12 0.39 -1.10 -0.87 0.00 0.00 176.83 176.47 4dfr s GLN 65 N -3.55 3.71 0.49 4.77 1.11 -1.26 -5.04 119.66 119.89 4dfr s GLN 65 Ca -0.06 0.93 -0.09 0.00 0.01 0.00 0.00 55.36 56.14 4dfr s GLN 65 Cb 0.10 -2.10 -0.05 0.00 -1.01 0.00 0.00 33.01 29.95 4dfr s GLN 65 CO 0.85 -0.47 0.85 -1.25 0.01 0.00 0.00 175.29 175.28 4dfr s PRO 66 N -4.44 3.67 0.36 2.91 0.05 -1.26 -4.97 135.00 131.31 4dfr s PRO 66 Ca 0.58 0.48 -0.28 0.00 0.05 0.00 0.00 61.00 61.83 4dfr s PRO 66 Cb -0.11 -2.29 -0.10 0.00 0.05 0.00 0.00 34.50 32.05 4dfr s PRO 66 CO 0.40 -0.24 1.33 0.20 0.05 0.00 0.00 177.00 178.74 4dfr s GLY 67 N -3.72 2.97 -0.02 0.56 0.00 -1.26 -4.98 107.32 100.87 4dfr s GLY 67 Ca 0.51 1.30 0.16 0.00 0.00 0.00 0.00 44.72 46.69 4dfr s GLY 67 CO 0.41 1.93 0.36 -1.30 0.00 0.00 0.00 173.10 174.50 4dfr n THR 68 N 0.59 0.01 -4.12 0.90 -2.24 -1.26 -4.97 114.28 103.19 4dfr n THR 68 Ca 0.01 -0.38 -0.17 0.00 -2.27 0.00 0.00 64.05 61.25 4dfr n THR 68 Cb 0.42 0.12 -0.15 0.00 -2.10 0.00 0.00 70.33 68.62 4dfr n THR 68 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 4dfr s ASP 69 N -3.89 0.64 0.35 3.42 -1.08 -1.26 -4.98 116.67 109.87 4dfr s ASP 69 Ca -0.06 -0.09 0.25 0.00 -0.52 0.00 0.00 52.55 52.13 4dfr s ASP 69 Cb 0.10 -0.18 0.65 0.00 -1.46 0.00 0.00 42.92 42.04 4dfr s ASP 69 CO 0.68 0.01 1.71 0.44 0.52 0.00 0.00 175.17 178.53 4dfr h ASP 70 N 6.47 0.00 -0.01 -0.34 3.32 -2.04 -3.23 116.42 120.61 4dfr h ASP 70 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 4dfr h ASP 70 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 4dfr h ASP 70 CO 0.49 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.55 4dfr n ARG 71 N -2.74 1.13 -4.39 3.56 1.74 -1.26 -4.91 116.66 109.80 4dfr n ARG 71 Ca 0.04 -0.19 -0.19 0.00 -0.77 0.00 0.00 57.85 56.74 4dfr n ARG 71 Cb 0.45 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.31 4dfr n ARG 71 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 4dfr s VAL 72 N -2.00 0.94 -0.16 1.55 -7.23 -1.22 -4.90 120.40 107.37 4dfr s VAL 72 Ca 0.45 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.55 4dfr s VAL 72 Cb 0.21 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 4dfr s VAL 72 CO 0.35 -0.02 0.04 -0.89 -0.31 0.00 0.00 175.10 174.27 4dfr s THR 73 N -3.48 4.61 -0.11 5.32 2.01 -0.69 -4.96 115.64 118.34 4dfr s THR 73 Ca 0.37 -0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.22 4dfr s THR 73 Cb 0.08 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 4dfr s THR 73 CO 0.14 0.49 0.05 0.26 -0.69 0.00 0.00 174.62 174.87 4dfr s TRP 74 N 0.17 3.28 0.09 4.92 0.52 -1.26 -0.21 118.94 126.45 4dfr s TRP 74 Ca 0.03 0.24 0.03 0.00 0.02 0.00 0.00 56.10 56.42 4dfr s TRP 74 Cb -0.13 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.27 4dfr s TRP 74 CO 0.01 0.46 -0.08 0.14 0.02 0.00 0.00 176.95 177.50 4dfr s VAL 75 N -0.65 0.77 0.00 4.03 -7.23 0.24 -4.91 120.40 112.64 4dfr s VAL 75 Ca 0.11 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 4dfr s VAL 75 Cb -0.12 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.43 4dfr s VAL 75 CO 0.02 -0.68 0.55 0.29 -0.31 0.00 0.00 175.10 174.98 4dfr n LYS 76 N 0.42 -0.07 -4.12 4.82 4.76 -1.26 -1.23 118.16 121.48 4dfr n LYS 76 Ca -0.15 -0.65 -0.08 0.00 -2.87 0.00 0.00 58.31 54.55 4dfr n LYS 76 Cb 0.59 -0.93 -0.10 0.00 -1.84 0.00 0.00 35.03 32.74 4dfr n LYS 76 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 4dfr s SER 77 N -0.20 0.72 0.07 4.39 1.04 -1.26 -4.75 113.70 113.72 4dfr s SER 77 Ca 0.00 -0.99 -0.23 0.00 0.48 0.00 0.00 55.95 55.21 4dfr s SER 77 Cb 0.00 0.16 -0.15 0.00 0.10 0.00 0.00 66.02 66.13 4dfr s SER 77 CO 0.00 -0.54 1.64 0.58 0.98 0.00 0.00 173.24 175.89 4dfr h VAL 78 N 3.11 1.09 -0.09 5.02 2.07 -1.98 -0.33 116.25 125.15 4dfr h VAL 78 Ca -0.34 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 4dfr h VAL 78 Cb 1.15 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 4dfr h VAL 78 CO 0.65 0.08 -0.19 0.44 0.02 0.00 0.00 177.57 178.57 4dfr h ASP 79 N -0.07 0.14 0.92 0.57 3.32 -2.00 -2.36 116.42 116.95 4dfr h ASP 79 Ca 0.01 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 4dfr h ASP 79 Cb 0.11 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 4dfr h ASP 79 CO -0.00 0.34 -0.55 -0.33 -1.72 0.00 0.00 179.24 176.98 4dfr h GLU 80 N 0.14 0.00 -0.05 3.56 5.08 -1.90 -2.05 114.58 119.36 4dfr h GLU 80 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 4dfr h GLU 80 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 4dfr h GLU 80 CO 0.03 0.55 0.00 0.00 -1.00 0.00 0.00 179.01 178.60 4dfr h ALA 81 N 1.45 0.06 0.09 3.43 0.00 -0.80 0.13 119.26 123.62 4dfr h ALA 81 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.76 4dfr h ALA 81 Cb 1.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 4dfr h ALA 81 CO 0.07 -0.29 -0.13 0.82 0.00 0.00 0.00 179.25 179.72 4dfr h ILE 82 N -0.18 0.69 -0.29 0.00 2.04 -1.35 -2.83 117.51 115.59 4dfr h ILE 82 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 4dfr h ILE 82 Cb 0.29 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 4dfr h ILE 82 CO 0.00 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.34 4dfr h ALA 83 N 0.60 1.79 0.00 1.87 0.00 -1.23 -2.36 119.26 119.93 4dfr h ALA 83 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 4dfr h ALA 83 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 4dfr h ALA 83 CO -0.06 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.38 4dfr n ALA 84 N -2.49 1.55 0.06 0.00 0.00 0.43 -2.28 120.51 117.77 4dfr n ALA 84 Ca 0.01 0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.38 4dfr n ALA 84 Cb 0.07 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.05 4dfr n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4dfr n GLY 86 N 1.58 0.18 3.12 0.00 0.00 -0.97 -4.48 105.19 104.63 4dfr n GLY 86 Ca -0.12 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 4dfr n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4dfr s ASP 87 N -4.00 5.58 -0.01 1.61 1.11 -1.26 -4.94 116.67 114.76 4dfr s ASP 87 Ca 0.00 -3.05 0.03 0.00 0.18 0.00 0.00 52.55 49.71 4dfr s ASP 87 Cb 0.00 -1.91 -0.01 0.00 1.07 0.00 0.00 42.92 42.07 4dfr s ASP 87 CO 0.00 -0.35 -0.11 0.68 1.18 0.00 0.00 175.17 176.58 4dfr s VAL 88 N -0.35 0.84 0.37 -1.27 -7.23 -1.26 -5.02 120.40 106.47 4dfr s VAL 88 Ca 0.20 -0.49 0.23 0.00 -1.81 0.00 0.00 61.98 60.11 4dfr s VAL 88 Cb -0.16 -0.71 0.24 0.00 0.56 0.00 0.00 36.38 36.31 4dfr s VAL 88 CO -0.06 0.22 1.99 1.55 -0.31 0.00 0.00 175.10 178.48 4dfr h PRO 89 N 5.82 0.00 -2.91 4.82 0.13 -1.95 -3.39 132.00 134.52 4dfr h PRO 89 Ca -0.32 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.66 4dfr h PRO 89 Cb 1.17 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.04 4dfr h PRO 89 CO 0.49 0.19 -0.37 -2.00 -0.23 0.00 0.00 178.00 176.07 4dfr s GLU 90 N -4.15 0.33 -0.12 0.86 2.12 -1.26 0.80 118.70 117.28 4dfr s GLU 90 Ca -0.02 0.55 -0.02 0.00 0.36 0.00 0.00 54.97 55.83 4dfr s GLU 90 Cb 0.13 0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.54 4dfr s GLU 90 CO 0.63 -0.10 -0.04 0.42 -0.54 0.00 0.00 175.26 175.62 4dfr s ILE 91 N 0.75 3.87 -0.29 -3.70 1.01 -0.28 -4.24 121.20 118.32 4dfr s ILE 91 Ca -0.05 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 4dfr s ILE 91 Cb -0.06 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 4dfr s ILE 91 CO -0.05 0.55 0.16 -0.04 0.00 0.00 0.00 174.94 175.56 4dfr s MET 92 N -0.22 3.60 -0.15 2.79 -1.94 -0.86 -1.14 119.30 121.37 4dfr s MET 92 Ca 0.04 -0.55 -0.16 0.00 -1.71 0.00 0.00 55.69 53.31 4dfr s MET 92 Cb -0.13 -3.58 -0.04 0.00 2.01 0.00 0.00 34.83 33.09 4dfr s MET 92 CO 0.02 -0.31 0.39 0.08 -0.01 0.00 0.00 175.02 175.19 4dfr s VAL 93 N 1.67 5.24 -0.75 -6.03 1.01 0.15 -0.32 120.40 121.37 4dfr s VAL 93 Ca 0.06 0.74 0.07 0.00 0.00 0.00 0.00 61.98 62.86 4dfr s VAL 93 Cb -0.16 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.51 4dfr s VAL 93 CO 0.08 0.34 0.59 2.30 0.00 0.00 0.00 175.10 178.41 4dfr n ILE 94 N 3.75 0.00 0.00 2.22 -5.35 -0.38 -1.99 119.36 117.61 4dfr n ILE 94 Ca -0.09 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 4dfr n ILE 94 Cb 0.52 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 4dfr n ILE 94 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 4dfr n GLY 95 N 0.68 -0.56 0.00 3.28 0.00 -1.26 -4.89 105.19 102.44 4dfr n GLY 95 Ca 0.03 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.79 4dfr n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4dfr n GLY 96 N -0.57 1.29 0.32 -0.02 0.00 -1.26 -0.83 105.19 104.12 4dfr n GLY 96 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 4dfr n GLY 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 4dfr h GLY 97 N 0.00 0.37 2.00 -0.02 0.00 -1.97 0.10 103.07 103.56 4dfr h GLY 97 Ca 0.00 0.33 -0.15 0.00 0.00 0.00 0.00 47.33 47.51 4dfr h GLY 97 CO 0.00 -0.27 -0.73 3.21 0.00 0.00 0.00 176.54 178.75 4dfr h ARG 98 N -0.04 0.00 -0.56 4.80 2.47 -1.96 -0.11 114.38 118.98 4dfr h ARG 98 Ca 0.35 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.05 4dfr h ARG 98 Cb 0.58 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.87 4dfr h ARG 98 CO -0.81 0.73 0.29 0.28 0.56 0.00 0.00 179.97 181.02 4dfr h VAL 99 N 0.00 1.20 -0.60 2.04 2.07 -1.73 -2.73 116.25 116.49 4dfr h VAL 99 Ca -0.01 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 4dfr h VAL 99 Cb 1.40 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 4dfr h VAL 99 CO 0.09 0.22 0.03 1.88 0.02 0.00 0.00 177.57 179.81 4dfr h TYR 100 N 0.76 1.12 -0.71 1.57 0.05 -0.40 -1.85 116.97 117.52 4dfr h TYR 100 Ca 0.20 -0.18 0.05 0.00 0.05 0.00 0.00 58.73 58.85 4dfr h TYR 100 Cb 0.09 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.49 4dfr h TYR 100 CO -0.01 0.98 0.47 0.93 -1.05 0.00 0.00 178.16 179.48 4dfr h GLU 101 N 0.96 0.77 -0.15 4.88 5.08 -0.88 0.19 114.58 125.42 4dfr h GLU 101 Ca 0.18 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 4dfr h GLU 101 Cb 0.52 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 4dfr h GLU 101 CO 0.02 0.51 -0.63 1.96 -1.00 0.00 0.00 179.01 179.88 4dfr h GLN 102 N 0.79 0.54 0.00 2.33 4.20 -1.30 -3.11 115.11 118.56 4dfr h GLN 102 Ca 0.29 -0.38 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 4dfr h GLN 102 Cb 0.16 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 4dfr h GLN 102 CO -0.09 0.99 -0.69 0.74 -0.67 0.00 0.00 178.83 179.11 4dfr h PHE 103 N 0.40 0.00 -0.74 2.96 0.04 -1.01 -3.40 116.94 115.18 4dfr h PHE 103 Ca -0.01 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.83 4dfr h PHE 103 Cb 1.19 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.24 4dfr h PHE 103 CO 0.05 0.35 -0.53 1.25 -0.60 0.00 0.00 178.31 178.83 4dfr h LEU 104 N 0.00 -1.91 -0.73 1.54 5.85 -0.55 -1.89 115.31 117.62 4dfr h LEU 104 Ca -0.04 0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.96 4dfr h LEU 104 Cb 1.30 0.83 0.00 0.00 0.37 0.00 0.00 40.66 43.16 4dfr h LEU 104 CO 0.04 -0.27 0.00 -0.81 -0.34 0.00 0.00 178.44 177.06 4dfr n PRO 105 N -5.10 0.11 0.12 5.25 -0.04 -1.26 -1.10 135.00 132.98 4dfr n PRO 105 Ca 0.00 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 4dfr n PRO 105 Cb 0.26 -1.78 0.12 0.00 -0.04 0.00 0.00 33.50 32.06 4dfr n PRO 105 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 4dfr h LYS 106 N 0.00 0.00 -6.80 0.54 1.57 -1.64 -3.48 116.57 106.76 4dfr h LYS 106 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 4dfr h LYS 106 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 4dfr h LYS 106 CO 0.00 0.00 0.47 0.00 -0.57 0.00 0.00 179.45 179.35 4dfr s ALA 107 N -3.25 3.40 -0.24 3.86 0.00 -0.26 -4.36 121.76 120.91 4dfr s ALA 107 Ca 0.04 0.88 0.18 0.00 0.00 0.00 0.00 51.96 53.05 4dfr s ALA 107 Cb 0.10 -3.32 -0.25 0.00 0.00 0.00 0.00 23.12 19.65 4dfr s ALA 107 CO 0.73 -0.14 0.49 1.04 0.00 0.00 0.00 175.76 177.87 4dfr n GLN 108 N 1.27 0.75 -3.75 0.00 1.13 -0.11 -4.89 117.38 111.78 4dfr n GLN 108 Ca -0.01 -0.12 -0.13 0.00 -1.94 0.00 0.00 57.00 54.80 4dfr n GLN 108 Cb 0.45 -1.39 -0.10 0.00 0.11 0.00 0.00 30.24 29.31 4dfr n GLN 108 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 4dfr s LYS 109 N -3.07 0.55 -0.09 -1.09 2.20 -1.24 -1.50 119.74 115.50 4dfr s LYS 109 Ca -0.03 0.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.77 4dfr s LYS 109 Cb 0.12 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.71 4dfr s LYS 109 CO 0.73 -0.12 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.97 4dfr s LEU 110 N -0.54 1.58 -0.25 5.43 1.43 -0.19 -1.74 118.68 124.40 4dfr s LEU 110 Ca -0.07 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 4dfr s LEU 110 Cb -0.04 -0.91 0.06 0.00 0.03 0.00 0.00 46.19 45.33 4dfr s LEU 110 CO 0.02 0.00 -0.11 -0.31 0.23 0.00 0.00 176.35 176.18 4dfr s TYR 111 N 0.95 3.17 -0.09 0.29 1.51 -0.02 -1.18 117.35 121.98 4dfr s TYR 111 Ca -0.09 -2.24 0.03 0.00 -1.01 0.00 0.00 57.07 53.77 4dfr s TYR 111 Cb -0.15 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 4dfr s TYR 111 CO 0.00 -0.87 -0.20 -0.51 -1.11 0.00 0.00 175.55 172.86 4dfr s LEU 112 N 1.14 2.33 -0.22 -1.29 1.43 0.18 -1.33 118.68 120.91 4dfr s LEU 112 Ca -0.08 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 4dfr s LEU 112 Cb -0.19 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.56 4dfr s LEU 112 CO -0.06 0.21 -0.06 -0.89 0.23 0.00 0.00 176.35 175.78 4dfr s THR 113 N 0.07 3.15 -0.25 5.49 2.01 -0.21 -0.92 115.64 124.98 4dfr s THR 113 Ca -0.09 -0.64 -0.20 0.00 0.31 0.00 0.00 61.69 61.08 4dfr s THR 113 Cb -0.15 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 4dfr s THR 113 CO 0.06 0.39 0.59 -1.00 -0.69 0.00 0.00 174.62 173.97 4dfr s HIS 114 N 1.43 3.29 -0.08 4.92 3.76 -0.13 -0.47 115.29 128.00 4dfr s HIS 114 Ca 0.05 0.77 0.01 0.00 -0.15 0.00 0.00 55.06 55.73 4dfr s HIS 114 Cb -0.15 -2.80 -0.03 0.00 1.11 0.00 0.00 32.58 30.72 4dfr s HIS 114 CO -0.05 -0.29 -0.09 0.42 -0.85 0.00 0.00 174.74 173.88 4dfr s ILE 115 N 2.37 3.50 -1.27 0.60 1.01 -0.30 -1.09 121.20 126.02 4dfr s ILE 115 Ca 0.25 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 60.23 4dfr s ILE 115 Cb -0.16 -2.44 0.15 0.00 0.01 0.00 0.00 42.46 40.02 4dfr s ILE 115 CO 0.09 0.57 1.70 -0.67 0.00 0.00 0.00 174.94 176.64 4dfr n ASP 116 N 2.59 5.02 -4.00 3.58 2.03 -0.31 -3.44 116.55 122.02 4dfr n ASP 116 Ca -0.18 -3.01 -0.25 0.00 0.52 0.00 0.00 54.79 51.87 4dfr n ASP 116 Cb 0.53 -1.57 -0.17 0.00 -0.72 0.00 0.00 41.12 39.19 4dfr n ASP 116 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 4dfr s ALA 117 N 1.60 1.28 -0.29 -1.67 0.00 -1.26 -4.67 121.76 116.74 4dfr s ALA 117 Ca 0.43 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 51.89 4dfr s ALA 117 Cb 0.04 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.53 4dfr s ALA 117 CO 0.00 -0.01 0.06 -1.21 0.00 0.00 0.00 175.76 174.60 4dfr s GLU 118 N 0.91 2.93 0.04 0.00 2.02 -1.26 -2.36 118.70 120.98 4dfr s GLU 118 Ca -0.10 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 53.94 4dfr s GLU 118 Cb -0.15 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 4dfr s GLU 118 CO 0.01 -0.48 -0.04 0.14 0.02 0.00 0.00 175.26 174.91 4dfr s VAL 119 N 1.44 0.24 -0.30 2.63 -7.23 -1.26 -5.08 120.40 110.84 4dfr s VAL 119 Ca 0.01 -1.28 -0.19 0.00 -1.81 0.00 0.00 61.98 58.71 4dfr s VAL 119 Cb -0.18 -0.79 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 4dfr s VAL 119 CO 0.01 -0.66 0.57 -0.70 -0.31 0.00 0.00 175.10 174.01 4dfr s GLU 120 N -2.40 3.88 0.54 4.82 2.12 -1.26 -4.98 118.70 121.42 4dfr s GLU 120 Ca -0.06 0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.48 4dfr s GLU 120 Cb -0.03 -3.73 0.02 0.00 0.26 0.00 0.00 34.13 30.65 4dfr s GLU 120 CO -0.04 -0.53 0.18 0.20 -0.54 0.00 0.00 175.26 174.53 4dfr s GLY 121 N 1.65 2.81 -0.26 -1.50 0.00 -1.26 -4.87 107.32 103.89 4dfr s GLY 121 Ca 0.22 -0.54 -0.13 0.00 0.00 0.00 0.00 44.72 44.28 4dfr s GLY 121 CO 0.11 -2.11 -0.22 1.22 0.00 0.00 0.00 173.10 172.11 4dfr n ASP 122 N -1.52 1.95 -4.28 1.64 9.92 -0.67 -4.96 116.55 118.63 4dfr n ASP 122 Ca -0.13 0.29 -0.24 0.00 -0.53 0.00 0.00 54.79 54.18 4dfr n ASP 122 Cb 0.66 -0.79 -0.13 0.00 -0.64 0.00 0.00 41.12 40.22 4dfr n ASP 122 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 4dfr s THR 123 N -2.49 1.68 0.10 -3.53 -4.23 -0.93 -5.03 115.64 101.21 4dfr s THR 123 Ca -0.36 -1.50 0.06 0.00 -1.18 0.00 0.00 61.69 58.71 4dfr s THR 123 Cb 0.12 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 4dfr s THR 123 CO 0.53 -0.04 -0.14 -1.00 -0.54 0.00 0.00 174.62 173.43 4dfr s HIS 124 N -1.13 1.34 0.40 3.99 3.76 -1.26 -1.25 115.29 121.13 4dfr s HIS 124 Ca 0.06 -0.52 -0.24 0.00 -0.15 0.00 0.00 55.06 54.21 4dfr s HIS 124 Cb -0.10 -0.72 -0.09 0.00 1.11 0.00 0.00 32.58 32.78 4dfr s HIS 124 CO 0.04 0.11 1.06 0.12 -0.85 0.00 0.00 174.74 175.22 4dfr s PHE 125 N -1.80 3.25 0.65 1.40 5.36 0.02 -4.77 117.98 122.10 4dfr s PHE 125 Ca 0.05 1.64 -0.16 0.00 -0.96 0.00 0.00 56.93 57.49 4dfr s PHE 125 Cb -0.07 -3.15 -0.01 0.00 -0.34 0.00 0.00 43.02 39.46 4dfr s PHE 125 CO 0.03 -0.69 1.14 -1.25 -1.46 0.00 0.00 175.22 173.00 4dfr s PRO 126 N -2.47 2.76 0.05 10.12 0.04 -1.26 -4.91 135.00 139.34 4dfr s PRO 126 Ca 0.58 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.87 4dfr s PRO 126 Cb -0.23 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 4dfr s PRO 126 CO 0.29 -1.31 1.54 0.34 0.04 0.00 0.00 177.00 177.90 4dfr s ASP 127 N -2.22 6.71 0.38 6.66 -1.08 -1.26 -5.00 116.67 120.86 4dfr s ASP 127 Ca 0.71 2.35 0.08 0.00 -0.52 0.00 0.00 52.55 55.17 4dfr s ASP 127 Cb -0.24 -2.57 -0.06 0.00 -1.46 0.00 0.00 42.92 38.59 4dfr s ASP 127 CO 0.39 -0.81 0.04 -0.72 0.52 0.00 0.00 175.17 174.60 4dfr s TYR 128 N 2.35 2.54 -0.44 -5.34 1.13 -1.26 -5.10 117.35 111.22 4dfr s TYR 128 Ca 0.69 -0.54 -0.16 0.00 -1.41 0.00 0.00 57.07 55.65 4dfr s TYR 128 Cb -0.37 -1.67 0.04 0.00 -1.10 0.00 0.00 41.96 38.86 4dfr s TYR 128 CO 0.30 0.41 0.40 -2.00 -2.51 0.00 0.00 175.55 172.15 4dfr s GLU 129 N -3.75 3.02 0.48 -3.49 -6.30 -1.26 -4.93 118.70 102.46 4dfr s GLU 129 Ca 0.36 -1.04 0.31 0.00 -2.50 0.00 0.00 54.97 52.10 4dfr s GLU 129 Cb 0.04 -4.04 1.32 0.00 0.00 0.00 0.00 34.13 31.45 4dfr s GLU 129 CO 0.20 -0.92 1.93 -1.00 0.02 0.00 0.00 175.26 175.49 4dfr h PRO 130 N 8.74 0.00 0.00 4.30 0.13 -1.99 0.47 132.00 143.65 4dfr h PRO 130 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 4dfr h PRO 130 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 4dfr h PRO 130 CO 0.82 0.00 -0.13 -0.25 -0.23 0.00 0.00 178.00 178.21 4dfr n ASP 131 N -2.85 0.55 -0.71 1.44 8.00 -1.26 -3.28 116.55 118.43 4dfr n ASP 131 Ca 0.01 0.43 0.10 0.00 0.71 0.00 0.00 54.79 56.03 4dfr n ASP 131 Cb 0.27 -0.49 0.30 0.00 -0.02 0.00 0.00 41.12 41.18 4dfr n ASP 131 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 4dfr n ASP 132 N -1.98 2.12 -4.19 -2.24 8.00 0.16 -4.88 116.55 113.55 4dfr n ASP 132 Ca 0.06 -1.83 -0.20 0.00 0.71 0.00 0.00 54.79 53.53 4dfr n ASP 132 Cb 0.40 -0.17 -0.12 0.00 -0.02 0.00 0.00 41.12 41.21 4dfr n ASP 132 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 4dfr s TRP 133 N -1.66 1.32 -0.16 1.24 0.52 -1.21 0.90 118.94 119.89 4dfr s TRP 133 Ca 0.32 -0.43 -0.01 0.00 0.02 0.00 0.00 56.10 56.00 4dfr s TRP 133 Cb 0.18 -0.75 -0.01 0.00 -1.15 0.00 0.00 33.47 31.74 4dfr s TRP 133 CO 0.26 0.08 -0.10 -2.00 0.02 0.00 0.00 176.95 175.20 4dfr s GLU 134 N -1.65 3.39 -0.11 4.98 2.12 -0.18 -4.87 118.70 122.37 4dfr s GLU 134 Ca 0.00 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.38 4dfr s GLU 134 Cb -0.10 -2.76 -0.03 0.00 0.26 0.00 0.00 34.13 31.51 4dfr s GLU 134 CO 0.02 0.08 1.27 0.45 -0.54 0.00 0.00 175.26 176.54 4dfr s SER 135 N 0.71 6.96 0.00 -1.70 0.15 -1.26 -1.46 113.70 117.11 4dfr s SER 135 Ca -0.05 1.80 0.14 0.00 0.70 0.00 0.00 55.95 58.53 4dfr s SER 135 Cb -0.15 -2.55 0.08 0.00 -1.71 0.00 0.00 66.02 61.69 4dfr s SER 135 CO 0.02 -0.70 0.88 1.33 1.20 0.00 0.00 173.24 175.97 4dfr n VAL 136 N 5.04 0.00 -3.64 4.45 0.24 -0.62 -4.96 118.33 118.84 4dfr n VAL 136 Ca 0.13 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.34 61.87 4dfr n VAL 136 Cb 0.45 1.25 -0.07 0.00 -1.47 0.00 0.00 33.84 34.00 4dfr n VAL 136 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 4dfr s PHE 137 N -1.27 -0.47 -0.08 6.34 5.36 -1.21 -4.93 117.98 121.71 4dfr s PHE 137 Ca 0.15 1.15 -0.06 0.00 -0.96 0.00 0.00 56.93 57.21 4dfr s PHE 137 Cb 0.11 0.36 0.03 0.00 -0.34 0.00 0.00 43.02 43.18 4dfr s PHE 137 CO 0.21 -0.23 0.20 0.45 -1.46 0.00 0.00 175.22 174.40 4dfr s SER 138 N 0.24 -0.21 -0.22 6.13 0.15 -1.26 -1.47 113.70 117.06 4dfr s SER 138 Ca 0.03 0.42 -0.08 0.00 0.70 0.00 0.00 55.95 57.02 4dfr s SER 138 Cb -0.05 0.38 0.10 0.00 -1.71 0.00 0.00 66.02 64.73 4dfr s SER 138 CO -0.06 -0.10 0.46 -0.70 1.20 0.00 0.00 173.24 174.04 4dfr s GLU 139 N 0.52 0.37 0.02 5.44 2.12 0.06 -4.97 118.70 122.26 4dfr s GLU 139 Ca -0.03 1.11 0.01 0.00 0.36 0.00 0.00 54.97 56.42 4dfr s GLU 139 Cb -0.05 0.43 -0.04 0.00 0.26 0.00 0.00 34.13 34.74 4dfr s GLU 139 CO -0.03 -0.24 0.05 0.12 -0.54 0.00 0.00 175.26 174.62 4dfr s PHE 140 N 2.65 3.18 -0.05 5.30 5.36 -1.26 -1.76 117.98 131.39 4dfr s PHE 140 Ca -0.03 0.12 -0.04 0.00 -0.96 0.00 0.00 56.93 56.03 4dfr s PHE 140 Cb -0.12 -1.68 0.02 0.00 -0.34 0.00 0.00 43.02 40.91 4dfr s PHE 140 CO -0.14 0.51 0.13 -1.01 -1.46 0.00 0.00 175.22 173.25 4dfr s HIS 141 N -1.21 -0.15 0.73 10.12 3.76 -0.78 -5.02 115.29 122.75 4dfr s HIS 141 Ca 0.23 0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 55.42 4dfr s HIS 141 Cb -0.12 -0.01 0.03 0.00 1.11 0.00 0.00 32.58 33.59 4dfr s HIS 141 CO 0.15 -0.11 1.08 -0.51 -0.85 0.00 0.00 174.74 174.50 4dfr s ASP 142 N 0.52 5.16 0.66 1.40 1.01 -1.26 -1.70 116.67 122.46 4dfr s ASP 142 Ca -0.04 1.31 -0.17 0.00 0.71 0.00 0.00 52.55 54.36 4dfr s ASP 142 Cb -0.05 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 4dfr s ASP 142 CO -0.02 -1.54 0.97 0.00 0.21 0.00 0.00 175.17 174.79 4dfr n ALA 143 N -3.16 0.03 -3.00 5.23 0.00 -1.25 -4.74 120.51 113.63 4dfr n ALA 143 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.43 4dfr n ALA 143 Cb 0.56 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.89 4dfr n ALA 143 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 4dfr n ASP 144 N -1.21 0.00 0.29 0.00 5.68 -0.50 -4.96 116.55 115.85 4dfr n ASP 144 Ca 0.14 -0.59 0.19 0.00 -0.50 0.00 0.00 54.79 54.02 4dfr n ASP 144 Cb 0.48 0.00 0.96 0.00 -1.14 0.00 0.00 41.12 41.42 4dfr n ASP 144 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 4dfr h ALA 145 N 1.35 1.00 0.00 2.12 0.00 -2.02 -2.93 119.26 118.78 4dfr h ALA 145 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 4dfr h ALA 145 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 4dfr h ALA 145 CO 0.00 0.00 -0.16 1.04 0.00 0.00 0.00 179.25 180.13 4dfr n GLN 146 N -2.91 5.93 -4.08 0.00 6.02 -1.26 -5.00 117.38 116.07 4dfr n GLN 146 Ca -0.02 -0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.65 4dfr n GLN 146 Cb 0.13 -0.61 -0.16 0.00 1.02 0.00 0.00 30.24 30.62 4dfr n GLN 146 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 4dfr s ASN 147 N -1.23 3.31 0.48 1.08 0.01 -1.11 -4.41 114.94 113.07 4dfr s ASN 147 Ca 0.00 -0.78 0.25 0.00 -0.71 0.00 0.00 52.86 51.63 4dfr s ASN 147 Cb 0.01 -1.42 1.17 0.00 0.41 0.00 0.00 41.25 41.42 4dfr s ASN 147 CO 0.06 -0.06 1.94 0.77 -1.51 0.00 0.00 177.10 178.30 4dfr h SER 148 N 7.93 0.00 -4.92 -1.22 4.64 -1.24 -1.33 113.55 117.41 4dfr h SER 148 Ca -0.38 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.75 4dfr h SER 148 Cb 1.12 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.04 4dfr h SER 148 CO 0.57 0.18 -0.70 -1.00 -0.87 0.00 0.00 176.83 175.02 4dfr s HIS 149 N -3.90 0.61 0.54 4.77 3.76 -1.26 -4.88 115.29 114.93 4dfr s HIS 149 Ca -0.01 -0.83 -0.18 0.00 -0.15 0.00 0.00 55.06 53.89 4dfr s HIS 149 Cb 0.12 -0.39 -0.06 0.00 1.11 0.00 0.00 32.58 33.35 4dfr s HIS 149 CO 0.61 -0.23 1.05 -1.54 -0.85 0.00 0.00 174.74 173.78 4dfr s SER 150 N -2.48 6.07 0.04 1.40 1.04 -1.26 -3.83 113.70 114.68 4dfr s SER 150 Ca 0.02 1.87 -0.15 0.00 0.48 0.00 0.00 55.95 58.17 4dfr s SER 150 Cb 0.01 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.61 4dfr s SER 150 CO -0.05 -0.97 0.32 -0.72 0.98 0.00 0.00 173.24 172.81 4dfr s TYR 151 N -2.23 -0.14 0.01 5.02 1.13 -0.69 -1.17 117.35 119.29 4dfr s TYR 151 Ca 0.65 0.04 0.03 0.00 -1.41 0.00 0.00 57.07 56.38 4dfr s TYR 151 Cb -0.16 0.12 -0.01 0.00 -1.10 0.00 0.00 41.96 40.80 4dfr s TYR 151 CO 0.29 -0.51 -0.11 0.00 -2.51 0.00 0.00 175.55 172.71 4dfr s PHE 153 N -0.47 3.47 0.03 0.00 0.08 -0.72 -0.96 117.98 119.41 4dfr s PHE 153 Ca 0.02 0.98 0.04 0.00 0.12 0.00 0.00 56.93 58.09 4dfr s PHE 153 Cb -0.05 -2.70 -0.02 0.00 -0.57 0.00 0.00 43.02 39.68 4dfr s PHE 153 CO 0.00 0.02 -0.11 0.15 -0.10 0.00 0.00 175.22 175.17 4dfr s LYS 154 N 1.16 0.79 -0.05 0.44 1.02 -0.09 -0.76 119.74 122.25 4dfr s LYS 154 Ca 0.29 -0.63 0.06 0.00 0.02 0.00 0.00 55.97 55.72 4dfr s LYS 154 Cb -0.16 -0.75 -0.01 0.00 -0.52 0.00 0.00 37.83 36.39 4dfr s LYS 154 CO 0.12 0.18 -0.23 0.42 -0.92 0.00 0.00 175.35 174.93 4dfr s ILE 155 N -0.76 1.88 0.00 2.17 1.01 -0.54 -0.65 121.20 124.31 4dfr s ILE 155 Ca -0.00 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.73 4dfr s ILE 155 Cb -0.07 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 4dfr s ILE 155 CO 0.01 0.53 -0.17 -0.76 0.00 0.00 0.00 174.94 174.54 4dfr s LEU 156 N -0.20 2.07 -0.06 2.97 1.43 -0.32 -1.59 118.68 122.98 4dfr s LEU 156 Ca -0.01 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 4dfr s LEU 156 Cb -0.12 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.25 4dfr s LEU 156 CO 0.02 0.18 -0.15 -1.61 0.23 0.00 0.00 176.35 175.02 4dfr s GLU 157 N -0.62 1.82 0.25 1.70 2.02 -0.53 -1.02 118.70 122.32 4dfr s GLU 157 Ca 0.06 -0.53 -0.31 0.00 0.02 0.00 0.00 54.97 54.21 4dfr s GLU 157 Cb -0.07 -1.52 -0.12 0.00 0.10 0.00 0.00 34.13 32.52 4dfr s GLU 157 CO 0.00 0.14 1.67 0.50 0.02 0.00 0.00 175.26 177.58 4dfr s ARG 158 N 0.34 4.12 0.00 1.61 3.52 -0.56 -1.01 118.95 126.96 4dfr s ARG 158 Ca -0.10 2.61 0.28 0.00 -0.13 0.00 0.00 55.73 58.39 4dfr s ARG 158 Cb -0.14 -3.04 1.11 0.00 -1.56 0.00 0.00 34.95 31.31 4dfr s ARG 158 CO 0.03 -0.70 1.78 0.54 -0.81 0.00 0.00 175.30 176.14