#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 5.01 0.08 1.12 1.01 -1.26 -1.42 121.20 125.74 4dfr s ILE 2 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.78 4dfr s ILE 2 Cb 0.00 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 4dfr s ILE 2 CO 0.00 0.44 -0.22 -0.44 0.00 0.00 0.00 174.94 174.72 4dfr s SER 3 N 0.45 2.65 -0.11 3.58 0.01 0.17 -1.29 113.70 119.15 4dfr s SER 3 Ca 0.05 -0.64 -0.01 0.00 1.31 0.00 0.00 55.95 56.66 4dfr s SER 3 Cb -0.12 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 4dfr s SER 3 CO -0.00 0.12 -0.06 -0.76 0.41 0.00 0.00 173.24 172.95 4dfr s LEU 4 N -1.65 3.19 -0.03 2.44 1.02 -0.91 -0.43 118.68 122.31 4dfr s LEU 4 Ca 0.08 -0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.19 4dfr s LEU 4 Cb -0.10 -1.73 -0.00 0.00 0.02 0.00 0.00 46.19 44.39 4dfr s LEU 4 CO 0.04 0.28 -0.13 -0.51 0.02 0.00 0.00 176.35 176.04 4dfr s ILE 5 N -0.29 1.10 -0.00 -0.59 2.07 -0.40 -0.32 121.20 122.78 4dfr s ILE 5 Ca 0.04 -0.54 -0.24 0.00 -1.41 0.00 0.00 60.65 58.51 4dfr s ILE 5 Cb -0.13 -0.96 0.05 0.00 0.13 0.00 0.00 42.46 41.56 4dfr s ILE 5 CO 0.02 0.33 0.53 0.00 -1.91 0.00 0.00 174.94 173.92 4dfr s ALA 6 N 0.11 -1.37 -0.22 1.50 0.00 -0.93 -4.43 121.76 116.41 4dfr s ALA 6 Ca -0.03 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.75 4dfr s ALA 6 Cb -0.10 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.25 4dfr s ALA 6 CO 0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 175.76 175.22 4dfr s ALA 7 N -1.77 2.40 -0.13 0.00 0.00 -1.26 -1.01 121.76 119.99 4dfr s ALA 7 Ca -0.09 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 50.37 4dfr s ALA 7 Cb -0.01 -1.40 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 4dfr s ALA 7 CO 0.04 -0.84 -0.10 -0.51 0.00 0.00 0.00 175.76 174.35 4dfr s LEU 8 N 1.21 2.91 0.88 0.00 1.43 -0.29 -4.76 118.68 120.06 4dfr s LEU 8 Ca -0.03 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.73 4dfr s LEU 8 Cb -0.17 -1.67 0.18 0.00 0.03 0.00 0.00 46.19 44.56 4dfr s LEU 8 CO -0.08 0.19 1.21 0.00 0.23 0.00 0.00 176.35 177.89 4dfr s ALA 9 N 0.22 2.78 0.46 4.21 0.00 -0.27 -0.24 121.76 128.93 4dfr s ALA 9 Ca -0.06 -1.42 -0.22 0.00 0.00 0.00 0.00 51.96 50.26 4dfr s ALA 9 Cb -0.15 -2.48 -0.10 0.00 0.00 0.00 0.00 23.12 20.39 4dfr s ALA 9 CO 0.04 -2.10 0.86 1.33 0.00 0.00 0.00 175.76 175.89 4dfr n VAL 10 N -3.43 2.48 -1.20 0.00 0.24 -0.70 -0.93 118.33 114.78 4dfr n VAL 10 Ca 0.15 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.34 61.88 4dfr n VAL 10 Cb 0.60 -0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 31.96 4dfr n VAL 10 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 4dfr n ASP 11 N 0.47 -4.79 -0.29 -1.34 8.00 -1.26 -3.42 116.55 113.92 4dfr n ASP 11 Ca 0.11 0.17 -0.04 0.00 0.71 0.00 0.00 54.79 55.74 4dfr n ASP 11 Cb 0.41 -2.89 -0.02 0.00 -0.02 0.00 0.00 41.12 38.60 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 -1.52 -0.87 -1.73 -1.24 1.74 -0.11 -4.87 116.66 108.07 4dfr n ARG 12 Ca -0.07 0.47 -0.42 0.00 -0.77 0.00 0.00 57.85 57.06 4dfr n ARG 12 Cb 0.39 -4.27 -0.02 0.00 -1.02 0.00 0.00 32.46 27.53 4dfr n ARG 12 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 4dfr n VAL 13 N -2.59 0.45 -4.45 1.55 0.31 -1.22 -0.96 118.33 111.42 4dfr n VAL 13 Ca -0.04 -0.11 -0.22 0.00 -0.01 0.00 0.00 64.34 63.96 4dfr n VAL 13 Cb 0.28 -1.98 -0.10 0.00 -0.91 0.00 0.00 33.84 31.13 4dfr n VAL 13 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 4dfr s ILE 14 N 0.66 1.70 0.66 2.52 -4.36 -0.97 -1.11 121.20 120.31 4dfr s ILE 14 Ca 0.70 -2.13 -0.14 0.00 -0.26 0.00 0.00 60.65 58.82 4dfr s ILE 14 Cb -0.50 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 40.71 4dfr s ILE 14 CO 0.39 -0.27 1.09 -0.83 0.24 0.00 0.00 174.94 175.57 4dfr s GLY 15 N -3.47 2.05 -0.08 6.27 0.00 -1.26 -4.52 107.32 106.31 4dfr s GLY 15 Ca 0.30 0.45 -0.10 0.00 0.00 0.00 0.00 44.72 45.37 4dfr s GLY 15 CO 0.13 0.80 -0.21 -0.13 0.00 0.00 0.00 173.10 173.68 4dfr n MET 16 N -2.54 0.32 0.17 2.90 1.56 -1.26 -4.62 117.12 113.66 4dfr n MET 16 Ca 0.10 0.13 0.00 0.00 -0.27 0.00 0.00 57.70 57.66 4dfr n MET 16 Cb 0.52 -1.06 0.00 0.00 2.15 0.00 0.00 33.22 34.83 4dfr n MET 16 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 4dfr n GLU 17 N -4.03 0.00 -1.52 2.12 2.13 -1.26 -4.90 120.64 113.18 4dfr n GLU 17 Ca -0.12 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.38 4dfr n GLU 17 Cb 0.37 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.15 4dfr n GLU 17 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 4dfr s ASN 18 N -4.11 4.79 0.41 4.31 0.01 -1.26 -4.88 114.94 114.20 4dfr s ASN 18 Ca 0.00 1.94 -0.26 0.00 -0.71 0.00 0.00 52.86 53.83 4dfr s ASN 18 Cb 0.00 -2.54 -0.09 0.00 0.41 0.00 0.00 41.25 39.03 4dfr s ASN 18 CO 0.00 -1.85 1.27 0.00 -1.51 0.00 0.00 177.10 175.02 4dfr s ALA 19 N -2.57 3.22 0.36 0.60 0.00 -1.26 -4.92 121.76 117.19 4dfr s ALA 19 Ca 0.65 1.17 -0.27 0.00 0.00 0.00 0.00 51.96 53.51 4dfr s ALA 19 Cb -0.19 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 4dfr s ALA 19 CO 0.48 -0.77 1.22 -1.64 0.00 0.00 0.00 175.76 175.05 4dfr s MET 20 N -2.26 4.25 -1.31 0.00 -1.94 -1.26 -4.94 119.30 111.83 4dfr s MET 20 Ca 0.57 1.99 -0.15 0.00 -1.71 0.00 0.00 55.69 56.39 4dfr s MET 20 Cb -0.36 -2.91 -0.01 0.00 2.01 0.00 0.00 34.83 33.56 4dfr s MET 20 CO 0.46 -0.20 2.20 -0.35 -0.01 0.00 0.00 175.02 177.13 4dfr n PRO 21 N 0.52 2.59 -3.63 2.03 -0.04 -1.26 -4.84 135.00 130.37 4dfr n PRO 21 Ca 0.02 -2.40 -0.10 0.00 -0.04 0.00 0.00 63.50 60.98 4dfr n PRO 21 Cb 0.44 -3.17 -0.03 0.00 -0.04 0.00 0.00 33.50 30.70 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 3.54 -0.28 -0.33 0.54 -2.14 -1.26 -5.09 118.94 113.92 4dfr s TRP 22 Ca 0.50 -0.03 0.01 0.00 2.66 0.00 0.00 56.10 59.24 4dfr s TRP 22 Cb 0.14 0.46 0.10 0.00 -3.10 0.00 0.00 33.47 31.07 4dfr s TRP 22 CO -0.04 -0.89 0.09 1.21 -2.66 0.00 0.00 176.95 174.66 4dfr s ASN 23 N -2.83 4.26 -0.46 -2.66 2.47 -1.26 -5.05 114.94 109.41 4dfr s ASN 23 Ca 0.06 -1.89 0.06 0.00 0.42 0.00 0.00 52.86 51.51 4dfr s ASN 23 Cb -0.01 -1.14 0.21 0.00 -1.45 0.00 0.00 41.25 38.87 4dfr s ASN 23 CO -0.07 -0.39 0.48 0.18 -3.72 0.00 0.00 177.10 173.58 4dfr n LEU 24 N 4.55 0.60 0.09 3.21 4.77 -1.26 -1.74 117.00 127.22 4dfr n LEU 24 Ca 0.01 -4.71 0.12 0.00 -0.03 0.00 0.00 56.01 51.40 4dfr n LEU 24 Cb 0.41 0.33 0.61 0.00 -2.33 0.00 0.00 43.42 42.44 4dfr n LEU 24 CO 0.16 1.96 1.14 1.55 -1.33 0.00 0.00 177.39 180.87 4dfr h PRO 25 N 4.75 0.12 -0.04 3.23 0.13 -1.98 0.79 132.00 139.02 4dfr h PRO 25 Ca 0.17 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 4dfr h PRO 25 Cb 0.85 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 4dfr h PRO 25 CO 0.49 0.08 -0.09 0.00 -0.23 0.00 0.00 178.00 178.25 4dfr h ALA 26 N 1.83 1.79 0.03 -0.56 0.00 -1.92 -0.87 119.26 119.56 4dfr h ALA 26 Ca 0.15 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 4dfr h ALA 26 Cb 0.42 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.19 4dfr h ALA 26 CO -0.02 0.16 -1.02 0.22 0.00 0.00 0.00 179.25 178.59 4dfr h ASP 27 N 0.05 0.55 0.18 0.00 3.58 -1.29 -2.68 116.42 116.82 4dfr h ASP 27 Ca 0.01 -0.47 -0.07 0.00 0.42 0.00 0.00 57.03 56.92 4dfr h ASP 27 Cb 0.20 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 4dfr h ASP 27 CO 0.01 1.29 -0.27 -0.07 -2.88 0.00 0.00 179.24 177.32 4dfr h LEU 28 N 0.21 0.15 -0.77 2.28 3.38 -0.51 -0.44 115.31 119.62 4dfr h LEU 28 Ca -0.10 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 4dfr h LEU 28 Cb 1.68 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.36 4dfr h LEU 28 CO 0.18 0.43 0.10 0.00 0.09 0.00 0.00 178.44 179.24 4dfr h ALA 29 N 1.58 0.98 -0.20 1.53 0.00 -1.15 0.26 119.26 122.27 4dfr h ALA 29 Ca 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 4dfr h ALA 29 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 4dfr h ALA 29 CO 0.04 0.64 0.01 2.35 0.00 0.00 0.00 179.25 182.29 4dfr h TRP 30 N 0.97 0.38 -0.25 0.00 2.91 -1.25 0.15 115.95 118.86 4dfr h TRP 30 Ca 0.19 -0.06 0.03 0.00 1.13 0.00 0.00 58.89 60.18 4dfr h TRP 30 Cb 0.42 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 28.95 4dfr h TRP 30 CO 0.03 0.53 0.09 0.35 -1.03 0.00 0.00 178.44 178.41 4dfr h PHE 31 N 0.12 0.15 -0.36 2.65 3.57 -0.87 -2.75 116.94 119.46 4dfr h PHE 31 Ca 0.06 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 4dfr h PHE 31 Cb 0.37 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 4dfr h PHE 31 CO 0.03 0.07 -0.21 -0.22 -2.23 0.00 0.00 178.31 175.76 4dfr h LYS 32 N 0.20 0.77 -0.98 1.11 3.64 0.17 -1.80 116.57 119.68 4dfr h LYS 32 Ca 0.11 -0.35 0.13 0.00 -1.27 0.00 0.00 60.65 59.26 4dfr h LYS 32 Cb 0.07 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 4dfr h LYS 32 CO -0.11 0.97 0.62 -0.09 -2.27 0.00 0.00 179.45 178.57 4dfr h ARG 33 N 0.55 0.90 -0.01 1.90 2.43 -0.56 0.44 114.38 120.03 4dfr h ARG 33 Ca 0.07 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 4dfr h ARG 33 Cb 0.76 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 4dfr h ARG 33 CO 0.06 0.60 -0.24 0.09 -1.51 0.00 0.00 179.97 178.97 4dfr n ASN 34 N -4.61 0.97 -0.00 -3.80 3.02 -1.05 -4.16 115.26 105.62 4dfr n ASN 34 Ca 0.19 -0.86 0.04 0.00 -0.03 0.00 0.00 54.58 53.92 4dfr n ASN 34 Cb 0.38 0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.61 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 -0.68 0.00 -2.06 3.41 -2.24 -0.69 -4.98 114.28 107.04 4dfr n THR 35 Ca 0.12 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 4dfr n THR 35 Cb 0.34 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 4dfr n THR 35 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 4dfr s LEU 36 N -3.30 4.34 0.00 3.22 2.96 0.12 -1.95 118.68 124.07 4dfr s LEU 36 Ca -0.02 2.71 0.00 0.00 -0.22 0.00 0.00 54.13 56.60 4dfr s LEU 36 Cb 0.05 -3.74 0.00 0.00 0.50 0.00 0.00 46.19 43.00 4dfr s LEU 36 CO 0.30 -0.68 0.00 0.47 -1.32 0.00 0.00 176.35 175.12 4dfr n ASP 37 N 0.53 -2.63 -4.29 3.68 8.00 0.37 -5.00 116.55 117.21 4dfr n ASP 37 Ca 0.01 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.36 4dfr n ASP 37 Cb 0.42 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.98 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 -0.29 1.17 0.36 -1.24 1.02 -0.82 -5.01 119.74 114.93 4dfr s LYS 38 Ca 0.00 -1.53 -0.25 0.00 0.02 0.00 0.00 55.97 54.21 4dfr s LYS 38 Cb 0.00 -0.69 -0.10 0.00 -0.52 0.00 0.00 37.83 36.52 4dfr s LYS 38 CO 0.00 0.05 0.97 -2.14 -0.92 0.00 0.00 175.35 173.31 4dfr s PRO 39 N -3.76 4.42 -0.09 -1.68 0.02 -1.26 -3.10 135.00 129.55 4dfr s PRO 39 Ca 0.21 1.35 0.04 0.00 0.02 0.00 0.00 61.00 62.61 4dfr s PRO 39 Cb 0.03 -2.64 -0.01 0.00 0.02 0.00 0.00 34.50 31.90 4dfr s PRO 39 CO 0.04 0.12 -0.22 0.14 -0.33 0.00 0.00 177.00 176.75 4dfr s VAL 40 N -1.71 2.29 -0.19 3.83 -7.23 0.05 -1.94 120.40 115.50 4dfr s VAL 40 Ca 0.54 -0.95 -0.05 0.00 -1.81 0.00 0.00 61.98 59.71 4dfr s VAL 40 Cb -0.18 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 4dfr s VAL 40 CO 0.23 0.56 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.94 4dfr s ILE 41 N 0.17 3.98 0.11 -0.62 1.01 0.10 -1.53 121.20 124.42 4dfr s ILE 41 Ca -0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 4dfr s ILE 41 Cb -0.16 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 4dfr s ILE 41 CO 0.07 0.45 0.02 0.00 0.00 0.00 0.00 174.94 175.47 4dfr s MET 42 N 0.81 0.87 0.36 2.79 0.23 -0.74 0.03 119.30 123.63 4dfr s MET 42 Ca 0.00 -1.39 0.01 0.00 -1.03 0.00 0.00 55.69 53.28 4dfr s MET 42 Cb -0.14 0.13 0.07 0.00 -1.53 0.00 0.00 34.83 33.35 4dfr s MET 42 CO 0.02 -0.19 0.49 0.41 -2.03 0.00 0.00 175.02 173.72 4dfr n GLY 43 N -0.06 0.94 0.11 3.16 0.00 -0.19 -0.60 105.19 108.54 4dfr n GLY 43 Ca -0.08 -2.03 -0.03 0.00 0.00 0.00 0.00 46.02 43.88 4dfr n GLY 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 4dfr h ARG 44 N 0.00 0.00 0.00 1.61 9.65 -1.91 -2.59 114.38 121.14 4dfr h ARG 44 Ca -0.16 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.59 4dfr h ARG 44 Cb 0.62 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 4dfr h ARG 44 CO 0.18 0.76 -0.63 0.45 2.80 0.00 0.00 179.97 183.54 4dfr h HIS 45 N 0.00 0.00 0.11 2.20 3.86 -1.95 -2.48 115.15 116.89 4dfr h HIS 45 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 4dfr h HIS 45 Cb 1.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.90 4dfr h HIS 45 CO 0.00 0.63 -0.05 1.15 0.86 0.00 0.00 177.93 180.51 4dfr h THR 46 N 0.00 0.94 -0.45 2.45 2.02 -1.84 -1.30 112.91 114.73 4dfr h THR 46 Ca -0.01 -0.20 0.07 0.00 0.77 0.00 0.00 66.41 67.04 4dfr h THR 46 Cb 1.20 1.07 -0.09 0.00 -1.74 0.00 0.00 68.15 68.59 4dfr h THR 46 CO 0.08 0.05 -0.46 -0.25 0.37 0.00 0.00 175.52 175.31 4dfr h TRP 47 N -0.24 -1.38 0.00 3.16 2.91 -1.33 -1.01 115.95 118.05 4dfr h TRP 47 Ca -0.02 0.08 -0.07 0.00 1.13 0.00 0.00 58.89 60.01 4dfr h TRP 47 Cb 0.20 0.67 -0.01 0.00 -0.51 0.00 0.00 29.16 29.50 4dfr h TRP 47 CO -0.04 -0.45 -0.33 0.93 -1.03 0.00 0.00 178.44 177.52 4dfr h GLU 48 N -0.32 0.00 -0.60 2.65 4.39 -1.13 -1.30 114.58 118.26 4dfr h GLU 48 Ca 0.13 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 4dfr h GLU 48 Cb 0.58 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 4dfr h GLU 48 CO -0.61 0.33 0.11 0.77 -1.16 0.00 0.00 179.01 178.45 4dfr h SER 49 N 0.00 0.95 -0.12 1.42 0.02 -0.74 -3.24 113.55 111.84 4dfr h SER 49 Ca -0.00 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 4dfr h SER 49 Cb 0.87 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 4dfr h SER 49 CO 0.04 0.96 0.02 0.40 -1.14 0.00 0.00 176.83 177.11 4dfr h ILE 50 N 0.90 1.22 -0.48 3.27 2.04 -0.73 -3.48 117.51 120.24 4dfr h ILE 50 Ca 0.19 -0.69 -0.21 0.00 1.00 0.00 0.00 64.86 65.15 4dfr h ILE 50 Cb 0.41 1.45 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 4dfr h ILE 50 CO 0.01 0.20 -0.19 0.61 0.00 0.00 0.00 178.15 178.78 4dfr n GLY 51 N -0.42 1.15 3.63 5.37 0.00 -0.53 -4.96 105.19 109.43 4dfr n GLY 51 Ca -0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.49 4dfr n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 4dfr s ARG 52 N -2.76 0.79 0.35 1.61 1.70 -1.26 -5.06 118.95 114.31 4dfr s ARG 52 Ca 0.00 -0.39 -0.27 0.00 -0.47 0.00 0.00 55.73 54.61 4dfr s ARG 52 Cb 0.00 0.30 -0.09 0.00 -0.57 0.00 0.00 34.95 34.59 4dfr s ARG 52 CO 0.00 -0.35 1.12 -2.14 -1.08 0.00 0.00 175.30 172.85 4dfr s PRO 53 N -2.92 4.32 0.03 3.89 0.02 -1.26 -4.96 135.00 134.12 4dfr s PRO 53 Ca 0.10 1.77 -0.30 0.00 0.02 0.00 0.00 61.00 62.59 4dfr s PRO 53 Cb 0.00 -2.86 -0.04 0.00 0.02 0.00 0.00 34.50 31.62 4dfr s PRO 53 CO -0.03 -0.06 1.09 -0.51 -0.33 0.00 0.00 177.00 177.15 4dfr s LEU 54 N -2.09 4.37 0.43 -5.54 1.43 -1.26 -5.00 118.68 111.03 4dfr s LEU 54 Ca 0.52 1.83 -0.22 0.00 -1.03 0.00 0.00 54.13 55.23 4dfr s LEU 54 Cb -0.30 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.26 4dfr s LEU 54 CO 0.38 -0.37 1.03 -2.84 0.23 0.00 0.00 176.35 174.78 4dfr s PRO 55 N 1.06 4.04 -0.46 1.29 0.02 -1.26 -3.29 135.00 136.40 4dfr s PRO 55 Ca 0.55 1.40 0.00 0.00 0.02 0.00 0.00 61.00 62.97 4dfr s PRO 55 Cb -0.25 -2.33 0.00 0.00 0.02 0.00 0.00 34.50 31.94 4dfr s PRO 55 CO 0.28 -0.23 0.00 0.41 -0.33 0.00 0.00 177.00 177.14 4dfr n GLY 56 N -0.00 0.70 3.02 0.52 0.00 -1.26 -4.87 105.19 103.30 4dfr n GLY 56 Ca 0.07 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.85 0.43 -0.37 1.61 0.52 -1.21 -0.48 118.95 117.60 4dfr s ARG 57 Ca 0.00 -0.70 -0.27 0.00 -0.52 0.00 0.00 55.73 54.24 4dfr s ARG 57 Cb 0.00 -0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.40 4dfr s ARG 57 CO 0.00 -0.00 0.99 0.21 0.02 0.00 0.00 175.30 176.51 4dfr s LYS 58 N -1.58 3.88 -0.29 3.54 2.20 -1.18 -4.79 119.74 121.52 4dfr s LYS 58 Ca -0.12 0.70 -0.21 0.00 -0.36 0.00 0.00 55.97 55.98 4dfr s LYS 58 Cb -0.10 -3.80 -0.01 0.00 -1.51 0.00 0.00 37.83 32.42 4dfr s LYS 58 CO -0.00 -0.98 0.64 -0.80 -0.36 0.00 0.00 175.35 173.84 4dfr s ASN 59 N 1.89 6.53 -0.19 1.43 0.01 -1.26 -0.77 114.94 122.58 4dfr s ASN 59 Ca 0.41 0.52 -0.01 0.00 -0.71 0.00 0.00 52.86 53.07 4dfr s ASN 59 Cb -0.11 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.21 4dfr s ASN 59 CO 0.19 -0.46 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.58 4dfr s ILE 60 N 2.61 2.83 -0.31 0.60 1.01 -0.58 -1.29 121.20 126.07 4dfr s ILE 60 Ca 0.26 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 4dfr s ILE 60 Cb -0.15 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.08 4dfr s ILE 60 CO 0.11 0.48 0.12 -0.63 0.00 0.00 0.00 174.94 175.02 4dfr s ILE 61 N 1.22 4.27 -0.35 2.92 -1.09 0.01 -1.80 121.20 126.38 4dfr s ILE 61 Ca 0.02 -0.60 -0.14 0.00 -2.23 0.00 0.00 60.65 57.70 4dfr s ILE 61 Cb -0.14 -3.21 -0.01 0.00 -1.58 0.00 0.00 42.46 37.52 4dfr s ILE 61 CO -0.05 0.05 0.31 -0.22 -1.23 0.00 0.00 174.94 173.80 4dfr s LEU 62 N 1.55 4.53 0.24 2.97 0.20 0.23 -0.58 118.68 127.82 4dfr s LEU 62 Ca 0.03 -0.37 -0.20 0.00 0.69 0.00 0.00 54.13 54.28 4dfr s LEU 62 Cb -0.17 -2.25 0.03 0.00 -0.43 0.00 0.00 46.19 43.37 4dfr s LEU 62 CO 0.04 -0.31 0.64 -0.55 -0.29 0.00 0.00 176.35 175.88 4dfr s SER 63 N 1.73 -0.31 -0.02 3.68 0.15 -0.60 -3.96 113.70 114.38 4dfr s SER 63 Ca 0.09 -0.48 -0.20 0.00 0.70 0.00 0.00 55.95 56.05 4dfr s SER 63 Cb -0.17 0.66 -0.28 0.00 -1.71 0.00 0.00 66.02 64.52 4dfr s SER 63 CO 0.11 -1.20 1.00 -1.28 1.20 0.00 0.00 173.24 173.07 4dfr h SER 64 N 2.06 0.54 -4.56 5.45 0.87 -1.87 -3.35 113.55 112.68 4dfr h SER 64 Ca -0.25 -0.87 -0.11 0.00 -1.23 0.00 0.00 61.79 59.34 4dfr h SER 64 Cb 1.26 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 63.06 4dfr h SER 64 CO 0.30 1.35 -0.01 0.00 -0.53 0.00 0.00 176.83 177.93 4dfr n GLN 65 N -4.12 0.91 -4.66 2.24 1.13 -1.26 -5.08 117.38 106.54 4dfr n GLN 65 Ca -0.13 -0.68 -0.25 0.00 -1.94 0.00 0.00 57.00 54.00 4dfr n GLN 65 Cb 0.78 -0.05 -0.14 0.00 0.11 0.00 0.00 30.24 30.94 4dfr n GLN 65 CO 0.00 0.00 0.00 0.57 -1.44 0.00 0.00 177.06 176.19 4dfr s PRO 66 N -2.57 1.38 -0.08 -1.09 0.07 -1.26 -4.97 135.00 126.48 4dfr s PRO 66 Ca 0.13 -0.90 -0.07 0.00 0.07 0.00 0.00 61.00 60.23 4dfr s PRO 66 Cb -0.01 -1.47 -0.08 0.00 0.07 0.00 0.00 34.50 33.01 4dfr s PRO 66 CO 0.08 0.38 0.91 0.41 0.07 0.00 0.00 177.00 178.86 4dfr n GLY 67 N 1.94 0.06 0.37 0.57 0.00 -1.26 -4.83 105.19 102.04 4dfr n GLY 67 Ca -0.17 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 4dfr n GLY 67 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 4dfr h THR 68 N 5.55 0.25 -2.98 2.61 2.02 -2.00 -3.44 112.91 114.92 4dfr h THR 68 Ca 0.05 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.57 4dfr h THR 68 Cb 0.68 0.25 -0.11 0.00 -1.74 0.00 0.00 68.15 67.23 4dfr h THR 68 CO 0.92 0.00 -0.53 -0.62 0.37 0.00 0.00 175.52 175.66 4dfr s ASP 69 N -4.73 5.98 0.42 4.18 -1.08 -1.26 -5.00 116.67 115.17 4dfr s ASP 69 Ca -0.16 0.30 0.27 0.00 -0.52 0.00 0.00 52.55 52.44 4dfr s ASP 69 Cb 0.08 -1.92 0.82 0.00 -1.46 0.00 0.00 42.92 40.44 4dfr s ASP 69 CO 0.64 0.34 1.77 -2.24 0.52 0.00 0.00 175.17 176.20 4dfr h ASP 70 N 5.52 0.00 -0.04 -0.34 2.03 -2.04 -3.16 116.42 118.39 4dfr h ASP 70 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 4dfr h ASP 70 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 4dfr h ASP 70 CO 0.61 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 179.36 4dfr n ARG 71 N -2.88 1.26 -4.17 4.15 1.74 -1.26 -4.88 116.66 110.60 4dfr n ARG 71 Ca 0.03 -0.38 -0.11 0.00 -0.77 0.00 0.00 57.85 56.62 4dfr n ARG 71 Cb 0.41 -1.40 -0.10 0.00 -1.02 0.00 0.00 32.46 30.35 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 -1.96 0.75 -0.22 1.55 -7.23 -1.20 -4.86 120.40 107.24 4dfr s VAL 72 Ca 0.36 -1.90 -0.17 0.00 -1.81 0.00 0.00 61.98 58.46 4dfr s VAL 72 Cb 0.18 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 4dfr s VAL 72 CO 0.29 -0.83 0.47 -0.89 -0.31 0.00 0.00 175.10 173.83 4dfr s THR 73 N -3.45 5.13 -0.46 5.32 2.01 -0.41 -4.98 115.64 118.80 4dfr s THR 73 Ca 0.11 0.83 -0.23 0.00 0.31 0.00 0.00 61.69 62.71 4dfr s THR 73 Cb 0.04 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.79 4dfr s THR 73 CO -0.04 0.18 0.78 0.26 -0.69 0.00 0.00 174.62 175.11 4dfr s TRP 74 N 1.72 2.98 0.18 4.92 0.52 -1.26 -0.81 118.94 127.19 4dfr s TRP 74 Ca 0.21 0.08 0.10 0.00 0.02 0.00 0.00 56.10 56.51 4dfr s TRP 74 Cb -0.15 -3.67 -0.04 0.00 -1.15 0.00 0.00 33.47 28.45 4dfr s TRP 74 CO 0.09 -1.02 -0.14 0.14 0.02 0.00 0.00 176.95 176.04 4dfr s VAL 75 N 3.28 2.95 -0.02 4.03 -7.23 0.25 -4.94 120.40 118.72 4dfr s VAL 75 Ca 0.28 -1.75 0.11 0.00 -1.81 0.00 0.00 61.98 58.81 4dfr s VAL 75 Cb -0.13 -2.44 -0.17 0.00 0.56 0.00 0.00 36.38 34.20 4dfr s VAL 75 CO 0.21 -0.10 0.24 2.29 -0.31 0.00 0.00 175.10 177.43 4dfr n LYS 76 N 0.14 0.39 -4.06 4.82 0.00 -1.26 -1.55 118.16 116.63 4dfr n LYS 76 Ca -0.11 -0.10 -0.10 0.00 -0.00 0.00 0.00 58.31 58.00 4dfr n LYS 76 Cb 0.55 -1.25 -0.08 0.00 -0.00 0.00 0.00 35.03 34.25 4dfr n LYS 76 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 4dfr s SER 77 N -3.21 0.10 0.13 -5.58 1.04 -1.26 -4.72 113.70 100.19 4dfr s SER 77 Ca -0.04 -1.06 -0.25 0.00 0.48 0.00 0.00 55.95 55.09 4dfr s SER 77 Cb 0.07 0.42 -0.06 0.00 0.10 0.00 0.00 66.02 66.55 4dfr s SER 77 CO 0.45 -0.88 1.43 0.52 0.98 0.00 0.00 173.24 175.73 4dfr n VAL 78 N -0.22 -0.54 -0.28 5.02 0.31 -1.26 -1.68 118.33 119.67 4dfr n VAL 78 Ca -0.04 2.23 -0.06 0.00 -0.01 0.00 0.00 64.34 66.46 4dfr n VAL 78 Cb 0.64 -2.78 0.06 0.00 -0.91 0.00 0.00 33.84 30.84 4dfr n VAL 78 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 4dfr h ASP 79 N 0.00 1.02 0.61 4.52 5.19 -2.00 0.16 116.42 125.92 4dfr h ASP 79 Ca 0.13 -0.14 -0.04 0.00 -0.62 0.00 0.00 57.03 56.36 4dfr h ASP 79 Cb 0.33 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 4dfr h ASP 79 CO -0.75 0.87 -0.17 -0.08 -3.12 0.00 0.00 179.24 175.99 4dfr h GLU 80 N 1.10 0.00 -0.07 3.56 4.81 -1.79 -2.77 114.58 119.42 4dfr h GLU 80 Ca 0.26 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 4dfr h GLU 80 Cb 0.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 4dfr h GLU 80 CO -0.03 0.17 -0.10 0.00 -0.73 0.00 0.00 179.01 178.32 4dfr h ALA 81 N 1.83 0.10 -0.38 2.92 0.00 -0.31 -1.38 119.26 122.05 4dfr h ALA 81 Ca -0.00 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.67 4dfr h ALA 81 Cb 0.53 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 4dfr h ALA 81 CO 0.02 -0.04 -0.31 0.82 0.00 0.00 0.00 179.25 179.75 4dfr h ILE 82 N -0.28 0.26 -0.53 0.00 5.03 -0.52 -2.47 117.51 119.00 4dfr h ILE 82 Ca 0.01 0.00 -0.07 0.00 -0.12 0.00 0.00 64.86 64.67 4dfr h ILE 82 Cb 0.66 0.26 -0.02 0.00 -3.03 0.00 0.00 36.82 34.69 4dfr h ILE 82 CO 0.02 0.00 0.04 0.00 -0.68 0.00 0.00 178.15 177.54 4dfr h ALA 83 N 0.79 0.71 -0.06 1.87 0.00 -1.47 -1.92 119.26 119.18 4dfr h ALA 83 Ca 0.17 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.83 4dfr h ALA 83 Cb 0.53 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 4dfr h ALA 83 CO -0.52 0.50 0.25 0.00 0.00 0.00 0.00 179.25 179.48 4dfr h ALA 84 N 0.97 1.40 0.00 0.00 0.00 -0.76 -0.46 119.26 120.41 4dfr h ALA 84 Ca 0.16 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 4dfr h ALA 84 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 4dfr h ALA 84 CO 0.02 -0.29 -0.77 0.00 0.00 0.00 0.00 179.25 178.22 4dfr n GLY 86 N 1.26 -1.94 3.05 0.00 0.00 -0.18 -4.62 105.19 102.75 4dfr n GLY 86 Ca -0.01 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 4dfr n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 4dfr s ASP 87 N -4.00 4.90 0.16 1.61 2.15 -1.26 -4.90 116.67 115.32 4dfr s ASP 87 Ca 0.00 -2.34 0.07 0.00 0.43 0.00 0.00 52.55 50.71 4dfr s ASP 87 Cb 0.00 -1.72 -0.04 0.00 -0.30 0.00 0.00 42.92 40.86 4dfr s ASP 87 CO 0.00 -0.41 -0.15 0.68 -0.17 0.00 0.00 175.17 175.12 4dfr s VAL 88 N 0.67 1.55 -0.47 1.11 -7.23 -1.26 -5.06 120.40 109.72 4dfr s VAL 88 Ca 0.12 -1.92 0.23 0.00 -1.81 0.00 0.00 61.98 58.60 4dfr s VAL 88 Cb -0.21 -1.77 0.32 0.00 0.56 0.00 0.00 36.38 35.28 4dfr s VAL 88 CO -0.05 -0.45 1.61 -0.65 -0.31 0.00 0.00 175.10 175.24 4dfr h PRO 89 N 3.16 0.00 -2.58 4.82 0.11 -1.95 -3.38 132.00 132.19 4dfr h PRO 89 Ca -0.40 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 4dfr h PRO 89 Cb 1.20 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.04 4dfr h PRO 89 CO 0.54 0.00 -0.34 -2.00 -0.21 0.00 0.00 178.00 176.00 4dfr s GLU 90 N -3.20 0.35 -0.25 1.05 2.12 -1.26 -2.83 118.70 114.69 4dfr s GLU 90 Ca 0.07 0.92 -0.09 0.00 0.36 0.00 0.00 54.97 56.23 4dfr s GLU 90 Cb 0.06 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 4dfr s GLU 90 CO 0.67 -0.21 0.13 0.42 -0.54 0.00 0.00 175.26 175.72 4dfr s ILE 91 N 2.05 4.92 -0.23 -3.70 1.01 -0.51 -4.37 121.20 120.38 4dfr s ILE 91 Ca -0.05 0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 4dfr s ILE 91 Cb -0.10 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 4dfr s ILE 91 CO -0.13 0.33 0.08 -0.04 0.00 0.00 0.00 174.94 175.19 4dfr s MET 92 N 1.35 3.83 -0.28 2.79 -1.94 -0.82 0.43 119.30 124.65 4dfr s MET 92 Ca 0.06 -0.40 -0.10 0.00 -1.71 0.00 0.00 55.69 53.55 4dfr s MET 92 Cb -0.15 -3.32 -0.03 0.00 2.01 0.00 0.00 34.83 33.34 4dfr s MET 92 CO 0.06 0.01 0.14 0.08 -0.01 0.00 0.00 175.02 175.30 4dfr s VAL 93 N 1.11 4.78 -1.56 -6.03 1.01 0.43 -0.72 120.40 119.42 4dfr s VAL 93 Ca 0.05 -0.13 0.15 0.00 0.00 0.00 0.00 61.98 62.05 4dfr s VAL 93 Cb -0.14 -3.32 0.30 0.00 0.00 0.00 0.00 36.38 33.22 4dfr s VAL 93 CO 0.04 0.21 1.21 2.30 0.00 0.00 0.00 175.10 178.85 4dfr n ILE 94 N 5.00 0.59 0.00 2.22 -5.35 0.10 -1.27 119.36 120.65 4dfr n ILE 94 Ca -0.15 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 4dfr n ILE 94 Cb 0.51 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 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 0.90 -0.29 0.00 3.28 0.00 -1.25 -4.86 105.19 102.97 4dfr n GLY 95 Ca 0.13 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.36 -0.14 0.08 -0.02 0.00 -1.26 -1.02 105.19 102.47 4dfr n GLY 96 Ca 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 4dfr n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4dfr n GLY 97 N 5.00 -1.42 0.31 -0.02 0.00 -1.26 -1.09 105.19 106.71 4dfr n GLY 97 Ca 0.00 0.40 0.03 0.00 0.00 0.00 0.00 46.02 46.45 4dfr n GLY 97 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 4dfr h ARG 98 N 0.00 0.81 -0.19 1.61 2.47 -1.95 -0.50 114.38 116.63 4dfr h ARG 98 Ca 0.03 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 4dfr h ARG 98 Cb 0.08 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 4dfr h ARG 98 CO -0.17 0.53 0.05 0.28 0.56 0.00 0.00 179.97 181.22 4dfr h VAL 99 N 0.83 1.19 -0.98 2.04 2.07 -1.68 -2.02 116.25 117.69 4dfr h VAL 99 Ca 0.41 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.42 4dfr h VAL 99 Cb 0.36 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 4dfr h VAL 99 CO -0.24 0.19 0.62 1.88 0.02 0.00 0.00 177.57 180.03 4dfr h TYR 100 N 0.12 1.14 -0.42 1.57 0.05 -0.19 -1.95 116.97 117.30 4dfr h TYR 100 Ca 0.06 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 4dfr h TYR 100 Cb 0.24 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 4dfr h TYR 100 CO 0.00 0.52 0.17 0.93 -1.05 0.00 0.00 178.16 178.74 4dfr h GLU 101 N 1.06 0.63 -0.08 4.88 5.08 -0.72 -1.02 114.58 124.40 4dfr h GLU 101 Ca 0.45 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.59 4dfr h GLU 101 Cb 0.32 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 4dfr h GLU 101 CO -0.22 0.58 -0.45 1.96 -1.00 0.00 0.00 179.01 179.89 4dfr h GLN 102 N 0.54 0.19 0.00 2.33 4.20 -1.27 -3.34 115.11 117.77 4dfr h GLN 102 Ca 0.14 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.75 4dfr h GLN 102 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 4dfr h GLN 102 CO -0.01 0.61 -1.58 1.19 -0.67 0.00 0.00 178.83 178.37 4dfr n PHE 103 N -4.00 0.40 -0.18 2.96 3.72 -0.74 -4.55 117.46 115.07 4dfr n PHE 103 Ca -0.02 0.12 -0.02 0.00 -0.05 0.00 0.00 57.45 57.48 4dfr n PHE 103 Cb 0.50 -0.68 0.08 0.00 -0.94 0.00 0.00 39.48 38.44 4dfr n PHE 103 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 4dfr h LEU 104 N 0.00 0.20 -1.72 4.37 6.46 -1.32 -2.22 115.31 121.08 4dfr h LEU 104 Ca 0.00 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 4dfr h LEU 104 Cb 0.99 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.97 4dfr h LEU 104 CO 0.00 0.14 0.00 -0.65 -0.62 0.00 0.00 178.44 177.31 4dfr h PRO 105 N 0.38 0.00 0.00 5.25 0.11 -1.81 -0.85 132.00 135.09 4dfr h PRO 105 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 4dfr h PRO 105 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 4dfr h PRO 105 CO -0.27 0.00 -0.60 0.87 -0.21 0.00 0.00 178.00 177.79 4dfr h LYS 106 N 0.00 0.00 -6.60 1.05 1.57 -1.70 -3.48 116.57 107.41 4dfr h LYS 106 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 4dfr h LYS 106 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 4dfr h LYS 106 CO 0.00 0.00 0.32 0.00 -0.57 0.00 0.00 179.45 179.20 4dfr s ALA 107 N -3.26 3.31 -0.06 3.86 0.00 -0.32 -4.59 121.76 120.69 4dfr s ALA 107 Ca 0.04 0.54 0.21 0.00 0.00 0.00 0.00 51.96 52.74 4dfr s ALA 107 Cb 0.10 -3.19 -0.32 0.00 0.00 0.00 0.00 23.12 19.71 4dfr s ALA 107 CO 0.73 0.10 0.39 0.94 0.00 0.00 0.00 175.76 177.92 4dfr n GLN 108 N 2.22 0.67 -3.92 0.00 7.27 -0.42 -4.81 117.38 118.39 4dfr n GLN 108 Ca -0.00 -0.16 -0.10 0.00 0.07 0.00 0.00 57.00 56.81 4dfr n GLN 108 Cb 0.48 -1.51 -0.10 0.00 2.41 0.00 0.00 30.24 31.52 4dfr n GLN 108 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 4dfr s LYS 109 N -3.29 0.42 -0.18 3.69 1.02 -1.18 -1.72 119.74 118.50 4dfr s LYS 109 Ca -0.08 -0.52 0.01 0.00 0.02 0.00 0.00 55.97 55.40 4dfr s LYS 109 Cb 0.12 0.16 0.02 0.00 -0.52 0.00 0.00 37.83 37.62 4dfr s LYS 109 CO 0.88 -0.09 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.52 4dfr s LEU 110 N -1.48 2.13 -0.49 3.17 1.43 -0.88 -2.15 118.68 120.42 4dfr s LEU 110 Ca -0.15 -0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 52.17 4dfr s LEU 110 Cb -0.08 -1.46 0.11 0.00 0.03 0.00 0.00 46.19 44.80 4dfr s LEU 110 CO 0.00 -0.01 0.39 -0.31 0.23 0.00 0.00 176.35 176.65 4dfr s TYR 111 N 1.30 3.35 -0.04 0.29 1.51 0.57 -1.04 117.35 123.29 4dfr s TYR 111 Ca 0.05 -1.57 0.07 0.00 -1.01 0.00 0.00 57.07 54.60 4dfr s TYR 111 Cb -0.13 -3.50 -0.02 0.00 -0.11 0.00 0.00 41.96 38.20 4dfr s TYR 111 CO -0.13 -0.97 -0.24 -0.51 -1.11 0.00 0.00 175.55 172.60 4dfr s LEU 112 N 1.47 2.15 -0.31 -1.29 1.43 -0.11 -2.20 118.68 119.82 4dfr s LEU 112 Ca 0.04 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 4dfr s LEU 112 Cb -0.27 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.58 4dfr s LEU 112 CO 0.01 0.29 0.11 -0.89 0.23 0.00 0.00 176.35 176.10 4dfr s THR 113 N -0.44 4.15 -0.38 5.49 2.01 -0.18 -0.21 115.64 126.07 4dfr s THR 113 Ca 0.05 -0.66 -0.14 0.00 0.31 0.00 0.00 61.69 61.25 4dfr s THR 113 Cb -0.12 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.24 4dfr s THR 113 CO 0.01 0.04 0.27 -1.00 -0.69 0.00 0.00 174.62 173.25 4dfr s HIS 114 N 1.53 3.23 -0.02 4.92 3.76 0.13 -1.14 115.29 127.70 4dfr s HIS 114 Ca 0.03 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 4dfr s HIS 114 Cb -0.17 -2.53 -0.04 0.00 1.11 0.00 0.00 32.58 30.95 4dfr s HIS 114 CO 0.04 -0.52 0.02 0.42 -0.85 0.00 0.00 174.74 173.85 4dfr s ILE 115 N 1.68 4.33 -1.36 0.60 1.01 0.67 -1.04 121.20 127.09 4dfr s ILE 115 Ca 0.05 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 4dfr s ILE 115 Cb -0.18 -2.92 0.10 0.00 0.01 0.00 0.00 42.46 39.47 4dfr s ILE 115 CO 0.10 0.42 2.00 0.47 0.00 0.00 0.00 174.94 177.93 4dfr n ASP 116 N 1.52 4.55 -3.87 3.58 8.00 -0.16 -3.05 116.55 127.12 4dfr n ASP 116 Ca -0.15 -2.97 -0.14 0.00 0.71 0.00 0.00 54.79 52.24 4dfr n ASP 116 Cb 0.53 -1.58 -0.15 0.00 -0.02 0.00 0.00 41.12 39.90 4dfr n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4dfr s ALA 117 N 1.98 0.14 -0.39 2.24 0.00 -1.26 -4.67 121.76 119.80 4dfr s ALA 117 Ca 0.44 0.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.27 4dfr s ALA 117 Cb 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.14 4dfr s ALA 117 CO -0.03 0.00 0.28 -1.21 0.00 0.00 0.00 175.76 174.80 4dfr s GLU 118 N 0.23 3.05 0.07 0.00 2.02 -1.26 -1.73 118.70 121.08 4dfr s GLU 118 Ca -0.02 -0.96 0.08 0.00 0.02 0.00 0.00 54.97 54.09 4dfr s GLU 118 Cb -0.04 -3.92 -0.03 0.00 0.10 0.00 0.00 34.13 30.24 4dfr s GLU 118 CO -0.01 -0.69 -0.21 0.08 0.02 0.00 0.00 175.26 174.46 4dfr s VAL 119 N 1.68 1.69 -0.07 2.63 1.01 -1.26 -5.04 120.40 121.04 4dfr s VAL 119 Ca 0.05 -1.33 -0.24 0.00 0.00 0.00 0.00 61.98 60.46 4dfr s VAL 119 Cb -0.19 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 4dfr s VAL 119 CO 0.10 0.11 0.73 -1.61 0.00 0.00 0.00 175.10 174.43 4dfr s GLU 120 N -1.45 4.44 0.10 2.72 2.02 -1.26 -4.98 118.70 120.30 4dfr s GLU 120 Ca 0.07 0.93 -0.19 0.00 0.02 0.00 0.00 54.97 55.81 4dfr s GLU 120 Cb -0.09 -3.46 0.05 0.00 0.10 0.00 0.00 34.13 30.73 4dfr s GLU 120 CO 0.03 0.03 0.46 0.20 0.02 0.00 0.00 175.26 176.00 4dfr s GLY 121 N 0.84 -0.37 -0.03 -1.39 0.00 -1.26 -5.02 107.32 100.10 4dfr s GLY 121 Ca 0.39 0.24 0.01 0.00 0.00 0.00 0.00 44.72 45.36 4dfr s GLY 121 CO 0.19 -0.04 0.74 -0.55 0.00 0.00 0.00 173.10 173.44 4dfr h ASP 122 N 2.49 0.27 -3.37 1.64 3.32 -1.97 -3.46 116.42 115.33 4dfr h ASP 122 Ca -0.33 -0.45 -0.56 0.00 0.02 0.00 0.00 57.03 55.72 4dfr h ASP 122 Cb 1.25 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 4dfr h ASP 122 CO 0.44 1.39 0.07 -0.89 -1.72 0.00 0.00 179.24 178.53 4dfr s THR 123 N -2.61 4.78 0.09 0.35 2.01 -1.26 -5.06 115.64 113.95 4dfr s THR 123 Ca -0.10 1.44 0.04 0.00 0.31 0.00 0.00 61.69 63.38 4dfr s THR 123 Cb 0.07 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 4dfr s THR 123 CO 0.83 0.41 -0.10 -1.00 -0.69 0.00 0.00 174.62 174.07 4dfr s HIS 124 N -0.25 1.04 0.16 4.92 3.76 -1.26 -2.29 115.29 121.37 4dfr s HIS 124 Ca 0.34 -0.64 -0.34 0.00 -0.15 0.00 0.00 55.06 54.28 4dfr s HIS 124 Cb -0.20 -0.57 -0.14 0.00 1.11 0.00 0.00 32.58 32.78 4dfr s HIS 124 CO 0.20 -0.01 1.51 0.34 -0.85 0.00 0.00 174.74 175.94 4dfr n PHE 125 N 0.66 2.12 -1.26 1.40 7.35 -0.13 -4.85 117.46 122.74 4dfr n PHE 125 Ca -0.17 0.36 -0.38 0.00 -0.76 0.00 0.00 57.45 56.50 4dfr n PHE 125 Cb 0.57 -2.49 0.04 0.00 0.35 0.00 0.00 39.48 37.95 4dfr n PHE 125 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 4dfr n PRO 126 N 3.08 0.18 -2.52 -7.13 -0.01 -1.26 -4.93 135.00 122.41 4dfr n PRO 126 Ca 0.17 0.08 -0.41 0.00 -0.01 0.00 0.00 63.50 63.32 4dfr n PRO 126 Cb 0.27 -1.37 -0.04 0.00 -0.01 0.00 0.00 33.50 32.35 4dfr n PRO 126 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 4dfr s ASP 127 N -1.17 7.24 -0.01 2.55 -1.08 -1.26 -5.00 116.67 117.94 4dfr s ASP 127 Ca 0.59 2.01 0.00 0.00 -0.52 0.00 0.00 52.55 54.64 4dfr s ASP 127 Cb -0.40 -2.59 0.01 0.00 -1.46 0.00 0.00 42.92 38.48 4dfr s ASP 127 CO 0.64 -0.28 -0.00 -0.72 0.52 0.00 0.00 175.17 175.33 4dfr s TYR 128 N 0.22 0.19 -0.67 -5.34 1.13 -1.26 -5.09 117.35 106.52 4dfr s TYR 128 Ca 0.52 0.01 -0.22 0.00 -1.41 0.00 0.00 57.07 55.96 4dfr s TYR 128 Cb -0.28 -0.22 0.07 0.00 -1.10 0.00 0.00 41.96 40.43 4dfr s TYR 128 CO 0.32 -0.06 0.97 -1.21 -2.51 0.00 0.00 175.55 173.06 4dfr s GLU 129 N 0.49 3.12 0.00 -3.49 8.01 -1.26 -4.89 118.70 120.68 4dfr s GLU 129 Ca -0.04 -0.87 0.00 0.00 0.01 0.00 0.00 54.97 54.06 4dfr s GLU 129 Cb -0.07 -4.25 0.00 0.00 -4.31 0.00 0.00 34.13 25.50 4dfr s GLU 129 CO -0.01 -1.81 0.33 -0.35 0.01 0.00 0.00 175.26 173.43 4dfr n PRO 130 N 7.66 0.00 0.01 0.39 -0.04 -1.26 -2.22 135.00 139.54 4dfr n PRO 130 Ca -0.03 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.56 4dfr n PRO 130 Cb 0.45 -1.43 0.43 0.00 -0.04 0.00 0.00 33.50 32.91 4dfr n PRO 130 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 4dfr n ASP 131 N -0.82 0.32 -0.97 3.54 10.43 -1.26 -3.44 116.55 124.35 4dfr n ASP 131 Ca 0.00 0.20 0.08 0.00 2.57 0.00 0.00 54.79 57.64 4dfr n ASP 131 Cb 0.00 -0.19 0.25 0.00 1.84 0.00 0.00 41.12 43.02 4dfr n ASP 131 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 4dfr n ASP 132 N -1.62 3.81 -3.67 -2.24 8.00 -0.94 -4.95 116.55 114.94 4dfr n ASP 132 Ca 0.06 -2.60 -0.09 0.00 0.71 0.00 0.00 54.79 52.87 4dfr n ASP 132 Cb 0.36 -0.46 -0.09 0.00 -0.02 0.00 0.00 41.12 40.91 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 -2.08 -0.83 -0.28 1.24 0.52 -1.22 -2.96 118.94 113.32 4dfr s TRP 133 Ca 0.38 1.73 -0.18 0.00 0.02 0.00 0.00 56.10 58.06 4dfr s TRP 133 Cb 0.27 0.43 -0.02 0.00 -1.15 0.00 0.00 33.47 33.00 4dfr s TRP 133 CO 0.14 -0.42 0.51 -2.00 0.02 0.00 0.00 176.95 175.19 4dfr s GLU 134 N 1.32 3.96 -0.09 4.98 2.12 0.74 -4.84 118.70 126.88 4dfr s GLU 134 Ca -0.08 0.19 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 4dfr s GLU 134 Cb -0.06 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 4dfr s GLU 134 CO -0.14 -0.42 1.54 -1.12 -0.54 0.00 0.00 175.26 174.57 4dfr s SER 135 N 1.61 6.75 -0.16 -1.70 0.01 -1.26 -1.49 113.70 117.46 4dfr s SER 135 Ca 0.20 2.07 0.15 0.00 1.31 0.00 0.00 55.95 59.68 4dfr s SER 135 Cb -0.16 -2.53 -0.21 0.00 0.21 0.00 0.00 66.02 63.33 4dfr s SER 135 CO 0.10 -0.88 0.08 0.52 0.41 0.00 0.00 173.24 173.48 4dfr n VAL 136 N 5.45 1.08 -3.71 3.43 0.31 -0.30 -4.98 118.33 119.60 4dfr n VAL 136 Ca 0.16 -0.69 -0.13 0.00 -0.01 0.00 0.00 64.34 63.67 4dfr n VAL 136 Cb 0.43 -0.52 -0.09 0.00 -0.91 0.00 0.00 33.84 32.75 4dfr n VAL 136 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 4dfr s PHE 137 N -2.46 -0.49 -0.20 3.52 5.36 -1.10 -4.96 117.98 117.66 4dfr s PHE 137 Ca -0.08 1.16 -0.08 0.00 -0.96 0.00 0.00 56.93 56.97 4dfr s PHE 137 Cb 0.05 0.17 0.09 0.00 -0.34 0.00 0.00 43.02 42.99 4dfr s PHE 137 CO 0.69 -0.26 0.45 0.45 -1.46 0.00 0.00 175.22 175.09 4dfr s SER 138 N 0.10 -0.43 -0.15 6.13 0.15 -1.26 -1.99 113.70 116.25 4dfr s SER 138 Ca -0.01 1.05 -0.07 0.00 0.70 0.00 0.00 55.95 57.62 4dfr s SER 138 Cb -0.03 1.30 0.06 0.00 -1.71 0.00 0.00 66.02 65.64 4dfr s SER 138 CO 0.01 -0.22 0.33 -0.70 1.20 0.00 0.00 173.24 173.86 4dfr s GLU 139 N 2.30 0.28 0.11 5.44 2.12 -0.30 -5.00 118.70 123.65 4dfr s GLU 139 Ca -0.04 0.74 -0.01 0.00 0.36 0.00 0.00 54.97 56.02 4dfr s GLU 139 Cb -0.11 -0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.24 4dfr s GLU 139 CO -0.14 -0.20 0.28 0.12 -0.54 0.00 0.00 175.26 174.79 4dfr s PHE 140 N 1.74 3.50 0.01 5.30 5.36 -1.26 -1.14 117.98 131.49 4dfr s PHE 140 Ca -0.06 0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 4dfr s PHE 140 Cb -0.10 -1.83 -0.01 0.00 -0.34 0.00 0.00 43.02 40.73 4dfr s PHE 140 CO -0.11 0.52 -0.03 -1.01 -1.46 0.00 0.00 175.22 173.13 4dfr s HIS 141 N -1.61 0.26 0.48 10.12 3.76 0.16 -4.96 115.29 123.49 4dfr s HIS 141 Ca 0.37 -0.23 -0.19 0.00 -0.15 0.00 0.00 55.06 54.86 4dfr s HIS 141 Cb -0.12 -0.17 -0.09 0.00 1.11 0.00 0.00 32.58 33.31 4dfr s HIS 141 CO 0.27 -0.06 0.97 -0.51 -0.85 0.00 0.00 174.74 174.56 4dfr s ASP 142 N -0.64 6.77 0.79 1.40 1.01 -1.26 -2.23 116.67 122.50 4dfr s ASP 142 Ca -0.05 1.63 -0.14 0.00 0.71 0.00 0.00 52.55 54.70 4dfr s ASP 142 Cb -0.04 -2.52 0.07 0.00 1.01 0.00 0.00 42.92 41.43 4dfr s ASP 142 CO -0.00 -0.48 1.20 0.00 0.21 0.00 0.00 175.17 176.10 4dfr s ALA 143 N -2.42 1.92 0.00 5.23 0.00 -1.26 -4.74 121.76 120.50 4dfr s ALA 143 Ca 0.60 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.39 4dfr s ALA 143 Cb -0.09 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.55 4dfr s ALA 143 CO 0.23 -2.17 0.00 -0.40 0.00 0.00 0.00 175.76 173.42 4dfr n ASP 144 N -3.16 0.00 0.19 0.00 5.68 -0.80 -4.93 116.55 113.53 4dfr n ASP 144 Ca 0.13 -0.95 0.12 0.00 -0.50 0.00 0.00 54.79 53.59 4dfr n ASP 144 Cb 0.51 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.16 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 2.09 0.00 2.12 0.00 -2.01 -2.83 119.26 119.99 4dfr h ALA 145 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 4dfr h ALA 145 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 4dfr h ALA 145 CO 0.00 -0.19 -1.76 1.04 0.00 0.00 0.00 179.25 178.34 4dfr n GLN 146 N -4.42 0.53 -3.96 0.00 3.00 -1.26 -4.96 117.38 106.31 4dfr n GLN 146 Ca 0.01 -0.15 -0.34 0.00 -0.01 0.00 0.00 57.00 56.51 4dfr n GLN 146 Cb 0.24 -1.39 -0.14 0.00 0.00 0.00 0.00 30.24 28.94 4dfr n GLN 146 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 4dfr s ASN 147 N -3.92 4.27 0.46 1.08 0.01 -1.07 -4.24 114.94 111.53 4dfr s ASN 147 Ca -0.06 -0.85 0.12 0.00 -0.71 0.00 0.00 52.86 51.36 4dfr s ASN 147 Cb 0.10 -1.66 1.05 0.00 0.41 0.00 0.00 41.25 41.15 4dfr s ASN 147 CO 0.68 -0.12 2.08 0.77 -1.51 0.00 0.00 177.10 179.00 4dfr h SER 148 N 8.01 0.27 -5.32 -1.22 4.64 -1.55 -2.12 113.55 116.27 4dfr h SER 148 Ca -0.33 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.84 4dfr h SER 148 Cb 1.11 -0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 62.99 4dfr h SER 148 CO 0.58 0.19 -0.59 -1.00 -0.87 0.00 0.00 176.83 175.13 4dfr s HIS 149 N -5.31 0.63 0.69 4.77 3.76 -1.26 -4.90 115.29 113.66 4dfr s HIS 149 Ca -0.07 -1.06 -0.16 0.00 -0.15 0.00 0.00 55.06 53.62 4dfr s HIS 149 Cb 0.18 -0.36 0.02 0.00 1.11 0.00 0.00 32.58 33.52 4dfr s HIS 149 CO 0.71 -0.50 1.22 -1.54 -0.85 0.00 0.00 174.74 173.79 4dfr s SER 150 N -2.98 4.47 -0.11 1.40 1.04 -1.26 -3.98 113.70 112.27 4dfr s SER 150 Ca 0.16 2.40 -0.25 0.00 0.48 0.00 0.00 55.95 58.73 4dfr s SER 150 Cb 0.07 -2.59 0.06 0.00 0.10 0.00 0.00 66.02 63.65 4dfr s SER 150 CO -0.04 -2.08 0.61 -0.72 0.98 0.00 0.00 173.24 171.99 4dfr s TYR 151 N -1.82 -0.61 -0.28 5.02 1.13 -0.95 -0.99 117.35 118.86 4dfr s TYR 151 Ca 0.76 1.22 -0.01 0.00 -1.41 0.00 0.00 57.07 57.63 4dfr s TYR 151 Cb -0.31 0.30 0.04 0.00 -1.10 0.00 0.00 41.96 40.90 4dfr s TYR 151 CO 0.42 -0.48 -0.03 0.00 -2.51 0.00 0.00 175.55 172.95 4dfr s PHE 153 N 1.27 3.60 -0.04 0.00 0.08 -0.29 -0.69 117.98 121.90 4dfr s PHE 153 Ca -0.04 1.57 -0.03 0.00 0.12 0.00 0.00 56.93 58.56 4dfr s PHE 153 Cb -0.19 -3.23 0.02 0.00 -0.57 0.00 0.00 43.02 39.06 4dfr s PHE 153 CO -0.03 -0.47 0.10 0.15 -0.10 0.00 0.00 175.22 174.88 4dfr s LYS 154 N 0.74 0.09 -0.15 0.44 1.02 0.70 -1.15 119.74 121.42 4dfr s LYS 154 Ca 0.53 0.22 0.02 0.00 0.02 0.00 0.00 55.97 56.76 4dfr s LYS 154 Cb -0.25 -0.06 0.01 0.00 -0.52 0.00 0.00 37.83 37.00 4dfr s LYS 154 CO 0.29 -0.08 -0.19 0.42 -0.92 0.00 0.00 175.35 174.87 4dfr s ILE 155 N 0.55 2.27 -0.06 2.17 1.01 -0.84 -0.94 121.20 125.37 4dfr s ILE 155 Ca -0.04 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.75 4dfr s ILE 155 Cb -0.06 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.48 4dfr s ILE 155 CO -0.02 0.54 -0.20 -0.76 0.00 0.00 0.00 174.94 174.49 4dfr s LEU 156 N 0.86 1.97 -0.12 2.97 1.02 -0.20 -1.15 118.68 124.03 4dfr s LEU 156 Ca -0.05 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.67 4dfr s LEU 156 Cb -0.15 -1.15 -0.02 0.00 0.02 0.00 0.00 46.19 44.89 4dfr s LEU 156 CO -0.02 0.18 -0.13 -1.61 0.02 0.00 0.00 176.35 174.79 4dfr s GLU 157 N 0.05 3.26 -0.31 1.70 2.02 -0.56 -2.07 118.70 122.78 4dfr s GLU 157 Ca -0.06 -0.68 -0.29 0.00 0.02 0.00 0.00 54.97 53.96 4dfr s GLU 157 Cb -0.13 -2.60 -0.00 0.00 0.10 0.00 0.00 34.13 31.49 4dfr s GLU 157 CO 0.04 0.28 1.37 0.50 0.02 0.00 0.00 175.26 177.47 4dfr s ARG 158 N 0.17 3.82 0.00 1.61 3.52 -0.70 -0.18 118.95 127.19 4dfr s ARG 158 Ca -0.07 1.24 0.23 0.00 -0.13 0.00 0.00 55.73 57.00 4dfr s ARG 158 Cb -0.15 -3.93 0.18 0.00 -1.56 0.00 0.00 34.95 29.48 4dfr s ARG 158 CO 0.05 -1.25 1.22 2.89 -0.81 0.00 0.00 175.30 177.40