#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfh n PHE 3 N 0.00 0.00 0.42 1.61 1.16 -1.12 -2.42 117.46 117.11 1dfh n PHE 3 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.63 1dfh n PHE 3 Cb 0.00 -0.01 0.01 0.00 -1.61 0.00 0.00 39.48 37.87 1dfh n PHE 3 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1dfh n LEU 4 N -1.01 1.39 -4.67 5.98 7.99 -0.30 -4.55 117.00 121.82 1dfh n LEU 4 Ca 0.16 -0.85 -0.63 0.00 -0.01 0.00 0.00 56.01 54.68 1dfh n LEU 4 Cb 0.08 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.30 1dfh n LEU 4 CO 0.12 0.28 1.02 -1.20 -1.51 0.00 0.00 177.39 176.10 1dfh n SER 5 N 0.01 1.12 0.00 -1.43 7.64 -0.97 0.21 113.62 120.21 1dfh n SER 5 Ca 0.05 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1dfh n SER 5 Cb 0.21 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1dfh n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dfh n GLY 6 N 3.34 0.86 3.86 0.23 0.00 -1.22 -4.96 105.19 107.30 1dfh n GLY 6 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 1dfh n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dfh s LYS 7 N -0.37 3.85 -0.26 1.61 -0.14 0.13 -4.95 119.74 119.61 1dfh s LYS 7 Ca 0.00 0.33 0.01 0.00 -1.36 0.00 0.00 55.97 54.94 1dfh s LYS 7 Cb 0.00 -2.76 0.05 0.00 -1.68 0.00 0.00 37.83 33.44 1dfh s LYS 7 CO 0.00 0.39 -0.08 1.03 -0.76 0.00 0.00 175.35 175.92 1dfh s ARG 8 N -2.49 2.47 -0.04 1.68 0.52 -1.26 -0.14 118.95 119.69 1dfh s ARG 8 Ca 0.43 -1.21 0.05 0.00 -0.52 0.00 0.00 55.73 54.48 1dfh s ARG 8 Cb -0.13 -2.95 -0.00 0.00 0.52 0.00 0.00 34.95 32.39 1dfh s ARG 8 CO 0.20 -0.52 -0.18 0.42 0.02 0.00 0.00 175.30 175.25 1dfh s ILE 9 N 1.20 1.50 -0.17 1.52 1.01 0.33 -1.70 121.20 124.89 1dfh s ILE 9 Ca -0.05 -0.76 -0.20 0.00 0.00 0.00 0.00 60.65 59.64 1dfh s ILE 9 Cb -0.19 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 1dfh s ILE 9 CO -0.05 0.43 0.60 -0.22 0.00 0.00 0.00 174.94 175.71 1dfh s LEU 10 N -0.00 4.18 -0.19 2.97 2.96 -0.70 -2.14 118.68 125.75 1dfh s LEU 10 Ca -0.03 0.84 -0.04 0.00 -0.22 0.00 0.00 54.13 54.68 1dfh s LEU 10 Cb -0.12 -2.86 -0.02 0.00 0.50 0.00 0.00 46.19 43.70 1dfh s LEU 10 CO 0.02 -0.21 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.12 1dfh s VAL 11 N 1.59 3.68 0.33 1.68 1.01 -0.19 -0.55 120.40 127.95 1dfh s VAL 11 Ca 0.29 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.94 1dfh s VAL 11 Cb -0.16 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1dfh s VAL 11 CO 0.11 0.45 0.10 0.42 0.00 0.00 0.00 175.10 176.18 1dfh s THR 12 N 0.96 3.05 -0.92 3.92 -4.23 -0.98 -2.23 115.64 115.21 1dfh s THR 12 Ca 0.00 -1.76 -0.03 0.00 -1.18 0.00 0.00 61.69 58.72 1dfh s THR 12 Cb -0.15 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1dfh s THR 12 CO 0.01 -0.22 0.79 0.61 -0.54 0.00 0.00 174.62 175.27 1dfh n GLY 13 N -1.08 -0.13 3.70 3.99 0.00 -1.26 -3.99 105.19 106.42 1dfh n GLY 13 Ca -0.04 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1dfh n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dfh s VAL 14 N -3.24 5.12 0.00 1.61 1.01 -1.26 -4.57 120.40 119.07 1dfh s VAL 14 Ca 0.22 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1dfh s VAL 14 Cb -0.10 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1dfh s VAL 14 CO 0.52 0.26 0.00 0.00 0.00 0.00 0.00 175.10 175.88 1dfh n ALA 15 N 4.05 0.80 -3.86 5.51 0.00 -1.26 -4.87 120.51 120.89 1dfh n ALA 15 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1dfh n ALA 15 Cb 0.51 0.02 0.02 0.00 0.00 0.00 0.00 19.45 20.00 1dfh n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1dfh s SER 16 N -0.86 0.02 0.00 0.00 1.04 -1.26 -4.97 113.70 107.66 1dfh s SER 16 Ca 0.00 -0.88 0.19 0.00 0.48 0.00 0.00 55.95 55.75 1dfh s SER 16 Cb 0.00 0.63 0.94 0.00 0.10 0.00 0.00 66.02 67.70 1dfh s SER 16 CO 0.00 -1.27 1.60 1.17 0.98 0.00 0.00 173.24 175.73 1dfh n LYS 17 N -0.65 0.22 0.01 4.02 4.81 -1.26 -1.88 118.16 123.42 1dfh n LYS 17 Ca -0.05 0.12 0.11 0.00 -0.87 0.00 0.00 58.31 57.62 1dfh n LYS 17 Cb 0.60 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.05 1dfh n LYS 17 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1dfh n LEU 18 N -1.33 0.47 -4.76 3.14 4.32 -1.26 -4.84 117.00 112.74 1dfh n LEU 18 Ca 0.08 -0.11 -0.41 0.00 -0.02 0.00 0.00 56.01 55.55 1dfh n LEU 18 Cb 0.17 -0.03 -0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1dfh n LEU 18 CO 0.15 0.06 1.14 -1.20 -1.22 0.00 0.00 177.39 176.33 1dfh n SER 19 N -2.01 3.74 -0.30 -1.43 7.64 -0.79 -4.89 113.62 115.58 1dfh n SER 19 Ca -0.00 1.21 0.03 0.00 1.01 0.00 0.00 58.87 61.12 1dfh n SER 19 Cb 0.47 -1.61 0.22 0.00 -1.01 0.00 0.00 64.21 62.28 1dfh n SER 19 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1dfh h ILE 20 N 3.00 1.11 0.00 0.44 2.04 -1.89 -2.12 117.51 120.10 1dfh h ILE 20 Ca -0.50 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 1dfh h ILE 20 Cb 1.24 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1dfh h ILE 20 CO 0.67 0.20 -0.15 0.00 0.00 0.00 0.00 178.15 178.87 1dfh h ALA 21 N 1.49 1.51 -0.22 1.87 0.00 -1.87 -1.16 119.26 120.89 1dfh h ALA 21 Ca 0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1dfh h ALA 21 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1dfh h ALA 21 CO -0.13 0.19 0.06 -0.92 0.00 0.00 0.00 179.25 178.46 1dfh h TYR 22 N 0.00 0.36 -0.59 0.00 3.20 -1.64 0.48 116.97 118.77 1dfh h TYR 22 Ca -0.00 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1dfh h TYR 22 Cb 0.31 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1dfh h TYR 22 CO 0.00 0.44 0.33 0.78 -1.64 0.00 0.00 178.16 178.07 1dfh h GLY 23 N 0.18 0.87 0.52 1.82 0.00 -1.31 0.22 103.07 105.37 1dfh h GLY 23 Ca 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1dfh h GLY 23 CO -0.00 0.36 -0.06 -2.22 0.00 0.00 0.00 176.54 174.61 1dfh h ILE 24 N 0.82 1.04 -0.68 2.60 2.04 -0.71 -2.21 117.51 120.42 1dfh h ILE 24 Ca 0.21 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 65.15 1dfh h ILE 24 Cb 0.01 1.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 1dfh h ILE 24 CO -0.04 0.22 0.38 0.00 0.00 0.00 0.00 178.15 178.72 1dfh h ALA 25 N 0.09 0.91 -0.17 1.87 0.00 0.24 -0.00 119.26 122.21 1dfh h ALA 25 Ca -0.02 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1dfh h ALA 25 Cb 0.50 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1dfh h ALA 25 CO 0.03 0.06 -0.07 0.37 0.00 0.00 0.00 179.25 179.65 1dfh h GLN 26 N 0.71 -0.04 -0.43 0.00 4.15 -0.55 0.15 115.11 119.10 1dfh h GLN 26 Ca 0.30 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.61 1dfh h GLN 26 Cb 0.18 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1dfh h GLN 26 CO -0.18 -0.03 -0.21 0.00 -1.93 0.00 0.00 178.83 176.48 1dfh h ALA 27 N 1.11 0.82 -0.56 3.38 0.00 -0.74 -1.60 119.26 121.67 1dfh h ALA 27 Ca 0.09 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1dfh h ALA 27 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1dfh h ALA 27 CO -0.19 0.65 0.04 0.52 0.00 0.00 0.00 179.25 180.26 1dfh h MET 28 N 0.74 0.97 -0.76 0.00 2.86 -0.65 -2.53 114.93 115.55 1dfh h MET 28 Ca 0.10 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 1dfh h MET 28 Cb 0.74 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 1dfh h MET 28 CO 0.06 0.95 0.28 1.25 1.06 0.00 0.00 176.91 180.51 1dfh h HIS 29 N 0.85 1.18 -0.12 -0.22 6.17 -0.52 -1.91 115.15 120.59 1dfh h HIS 29 Ca 0.16 -0.10 0.02 0.00 0.71 0.00 0.00 60.37 61.17 1dfh h HIS 29 Cb 0.49 -0.35 -0.01 0.00 2.52 0.00 0.00 27.41 30.06 1dfh h HIS 29 CO 0.04 0.91 0.08 -0.09 0.71 0.00 0.00 177.93 179.58 1dfh h ARG 30 N 1.11 0.06 -0.18 5.26 2.43 -0.93 -2.02 114.38 120.12 1dfh h ARG 30 Ca 0.25 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1dfh h ARG 30 Cb 0.24 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1dfh h ARG 30 CO -0.02 0.04 0.00 0.39 -1.51 0.00 0.00 179.97 178.87 1dfh n GLU 31 N -4.51 1.87 -0.06 0.20 -0.58 -0.76 -4.71 120.64 112.09 1dfh n GLU 31 Ca -0.01 -1.31 0.00 0.00 -0.42 0.00 0.00 57.16 55.43 1dfh n GLU 31 Cb 0.16 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1dfh n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dfh n GLY 32 N 1.20 0.97 3.81 0.62 0.00 -0.76 -1.15 105.19 109.88 1dfh n GLY 32 Ca 0.17 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1dfh n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfh s ALA 33 N -2.00 2.72 -0.17 4.61 0.00 -0.94 -3.38 121.76 122.60 1dfh s ALA 33 Ca 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.11 1dfh s ALA 33 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1dfh s ALA 33 CO 0.00 -1.02 0.06 -1.21 0.00 0.00 0.00 175.76 173.60 1dfh s GLU 34 N -4.60 3.89 0.29 0.00 2.02 0.81 -4.63 118.70 116.48 1dfh s GLU 34 Ca 0.60 -0.34 0.11 0.00 0.02 0.00 0.00 54.97 55.37 1dfh s GLU 34 Cb -0.15 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.85 1dfh s GLU 34 CO 0.47 0.33 -0.12 -0.51 0.02 0.00 0.00 175.26 175.44 1dfh s LEU 35 N 0.22 2.79 0.09 1.80 1.43 -1.26 -0.51 118.68 123.24 1dfh s LEU 35 Ca 0.04 -0.94 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 1dfh s LEU 35 Cb -0.12 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1dfh s LEU 35 CO 0.00 -0.01 -0.08 0.00 0.23 0.00 0.00 176.35 176.49 1dfh s ALA 36 N -2.47 1.00 0.05 4.21 0.00 -0.91 -4.67 121.76 118.97 1dfh s ALA 36 Ca 0.31 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1dfh s ALA 36 Cb -0.04 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1dfh s ALA 36 CO 0.17 -0.11 -0.10 -0.06 0.00 0.00 0.00 175.76 175.65 1dfh s PHE 37 N -2.76 0.90 0.33 0.00 0.40 -0.35 -1.02 117.98 115.48 1dfh s PHE 37 Ca 0.06 -0.43 0.09 0.00 -0.60 0.00 0.00 56.93 56.06 1dfh s PHE 37 Cb -0.01 -0.53 -0.06 0.00 0.51 0.00 0.00 43.02 42.94 1dfh s PHE 37 CO -0.02 -0.02 -0.04 0.95 0.70 0.00 0.00 175.22 176.80 1dfh s THR 38 N -1.15 2.52 -0.03 0.64 -4.23 -0.95 -0.78 115.64 111.66 1dfh s THR 38 Ca -0.05 -2.08 -0.06 0.00 -1.18 0.00 0.00 61.69 58.32 1dfh s THR 38 Cb -0.09 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 71.05 1dfh s THR 38 CO 0.01 -0.22 0.13 -0.72 -0.54 0.00 0.00 174.62 173.28 1dfh s TYR 39 N -2.54 -0.06 0.09 3.99 1.13 0.22 -4.46 117.35 115.72 1dfh s TYR 39 Ca 0.33 0.15 -0.18 0.00 -1.41 0.00 0.00 57.07 55.96 1dfh s TYR 39 Cb 0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 41.96 40.79 1dfh s TYR 39 CO 0.18 -0.16 1.56 0.37 -2.51 0.00 0.00 175.55 174.99 1dfh h GLN 40 N 5.23 0.44 0.00 -3.49 4.15 -1.90 0.56 115.11 120.11 1dfh h GLN 40 Ca -0.28 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 58.99 1dfh h GLN 40 Cb 1.20 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 1dfh h GLN 40 CO 0.41 0.57 0.04 0.27 -1.93 0.00 0.00 178.83 178.19 1dfh n ASN 41 N -4.67 -0.59 0.01 -0.69 0.23 -1.26 -4.33 115.26 103.95 1dfh n ASN 41 Ca -0.03 -1.51 -0.01 0.00 -0.53 0.00 0.00 54.58 52.50 1dfh n ASN 41 Cb 0.21 1.02 0.27 0.00 -2.08 0.00 0.00 39.78 39.20 1dfh n ASN 41 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1dfh h ASP 42 N 0.59 0.48 -0.56 0.53 3.32 -2.01 -2.39 116.42 116.38 1dfh h ASP 42 Ca -0.09 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 56.90 1dfh h ASP 42 Cb 0.37 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1dfh h ASP 42 CO 0.12 0.61 0.37 0.50 -1.72 0.00 0.00 179.24 179.13 1dfh h LYS 43 N 0.47 0.53 0.00 3.56 3.64 -2.02 -3.11 116.57 119.65 1dfh h LYS 43 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1dfh h LYS 43 Cb 0.44 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1dfh h LYS 43 CO 0.02 0.35 -1.21 1.28 -2.27 0.00 0.00 179.45 177.63 1dfh n LEU 44 N -4.47 0.60 -0.23 5.20 4.32 -0.92 -4.65 117.00 116.85 1dfh n LEU 44 Ca 0.08 0.16 -0.06 0.00 -0.02 0.00 0.00 56.01 56.17 1dfh n LEU 44 Cb 0.22 -0.06 -0.00 0.00 -1.62 0.00 0.00 43.42 41.96 1dfh n LEU 44 CO 0.34 -0.08 0.61 0.50 -1.22 0.00 0.00 177.39 177.54 1dfh h LYS 45 N 0.00 -0.15 -0.74 3.23 3.64 -1.43 -2.16 116.57 118.96 1dfh h LYS 45 Ca 0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1dfh h LYS 45 Cb 0.92 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.73 1dfh h LYS 45 CO 0.00 -0.10 0.49 0.78 -2.27 0.00 0.00 179.45 178.35 1dfh h GLY 46 N -0.16 1.03 0.90 5.01 0.00 -1.82 0.31 103.07 108.34 1dfh h GLY 46 Ca 0.23 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 1dfh h GLY 46 CO -0.72 0.33 -0.11 -0.09 0.00 0.00 0.00 176.54 175.96 1dfh h ARG 47 N 0.94 0.59 -0.38 4.80 9.65 -1.73 -1.27 114.38 126.98 1dfh h ARG 47 Ca 0.29 -0.25 -0.07 0.00 -1.10 0.00 0.00 59.98 58.85 1dfh h ARG 47 Cb -0.01 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1dfh h ARG 47 CO -0.08 0.81 -0.05 0.28 2.80 0.00 0.00 179.97 183.73 1dfh h VAL 48 N 0.35 1.27 -0.88 0.20 2.07 -1.08 -2.12 116.25 116.07 1dfh h VAL 48 Ca 0.07 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 66.55 1dfh h VAL 48 Cb 0.61 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 1dfh h VAL 48 CO 0.04 0.37 0.55 -0.33 0.02 0.00 0.00 177.57 178.21 1dfh h GLU 49 N 0.51 0.98 -0.46 1.57 5.08 -0.84 0.09 114.58 121.51 1dfh h GLU 49 Ca 0.10 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1dfh h GLU 49 Cb 0.55 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1dfh h GLU 49 CO 0.03 0.65 0.19 0.93 -1.00 0.00 0.00 179.01 179.80 1dfh h GLU 50 N 1.01 0.68 -0.44 2.33 5.08 -0.98 -2.22 114.58 120.04 1dfh h GLU 50 Ca 0.38 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1dfh h GLU 50 Cb 0.16 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1dfh h GLU 50 CO -0.17 0.62 0.01 0.74 -1.00 0.00 0.00 179.01 179.21 1dfh h PHE 51 N 0.60 0.83 -0.55 4.33 0.04 -0.62 -2.53 116.94 119.03 1dfh h PHE 51 Ca 0.15 -0.14 0.06 0.00 2.80 0.00 0.00 57.97 60.85 1dfh h PHE 51 Cb 0.19 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.07 1dfh h PHE 51 CO 0.00 0.81 0.26 0.00 -0.60 0.00 0.00 178.31 178.78 1dfh h ALA 52 N 0.91 0.71 -0.36 2.45 0.00 -0.86 -0.89 119.26 121.21 1dfh h ALA 52 Ca 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1dfh h ALA 52 Cb 0.47 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1dfh h ALA 52 CO 0.02 -0.11 0.20 0.00 0.00 0.00 0.00 179.25 179.36 1dfh h ALA 53 N 1.33 0.47 -0.90 0.00 0.00 -1.26 0.22 119.26 119.12 1dfh h ALA 53 Ca 0.26 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.28 1dfh h ALA 53 Cb 0.22 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1dfh h ALA 53 CO -0.21 -0.01 0.59 1.96 0.00 0.00 0.00 179.25 181.57 1dfh h GLN 54 N 0.46 0.48 -0.64 0.00 4.20 -0.91 0.41 115.11 119.11 1dfh h GLN 54 Ca 0.13 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1dfh h GLN 54 Cb 0.05 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1dfh h GLN 54 CO -0.02 0.31 0.06 1.28 -0.67 0.00 0.00 178.83 179.80 1dfh n LEU 55 N -4.54 5.70 -0.03 1.46 4.77 -0.24 -4.92 117.00 119.21 1dfh n LEU 55 Ca 0.19 -2.91 -0.00 0.00 -0.03 0.00 0.00 56.01 53.25 1dfh n LEU 55 Cb 0.63 -0.70 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1dfh n LEU 55 CO 0.30 0.66 -0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1dfh n GLY 56 N 0.43 0.41 3.57 -0.72 0.00 0.13 -4.87 105.19 104.15 1dfh n GLY 56 Ca 0.30 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1dfh n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dfh s SER 57 N -2.07 4.42 -0.06 1.61 0.15 0.62 -4.97 113.70 113.41 1dfh s SER 57 Ca 0.00 -0.26 0.09 0.00 0.70 0.00 0.00 55.95 56.48 1dfh s SER 57 Cb 0.00 -0.93 0.13 0.00 -1.71 0.00 0.00 66.02 63.51 1dfh s SER 57 CO 0.00 0.25 1.02 -0.90 1.20 0.00 0.00 173.24 174.80 1dfh n ASP 58 N 1.29 1.60 -4.34 5.45 5.75 -1.26 -2.89 116.55 122.16 1dfh n ASP 58 Ca -0.15 -2.40 -0.45 0.00 -0.01 0.00 0.00 54.79 51.78 1dfh n ASP 58 Cb 0.52 -0.23 -0.05 0.00 -1.03 0.00 0.00 41.12 40.32 1dfh n ASP 58 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1dfh s ILE 59 N -1.59 5.16 -0.20 2.12 1.01 -1.26 -4.99 121.20 121.46 1dfh s ILE 59 Ca 0.15 -1.33 -0.02 0.00 0.00 0.00 0.00 60.65 59.45 1dfh s ILE 59 Cb 0.13 -4.31 0.06 0.00 0.01 0.00 0.00 42.46 38.34 1dfh s ILE 59 CO 0.01 -0.84 0.01 -0.69 0.00 0.00 0.00 174.94 173.44 1dfh s VAL 60 N 1.76 0.74 0.13 2.92 1.01 -1.26 -1.21 120.40 124.50 1dfh s VAL 60 Ca 0.04 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1dfh s VAL 60 Cb -0.28 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1dfh s VAL 60 CO 0.04 -0.16 -0.18 -0.76 0.00 0.00 0.00 175.10 174.05 1dfh s LEU 61 N 1.76 2.39 0.11 3.92 1.43 0.04 -5.00 118.68 123.32 1dfh s LEU 61 Ca -0.02 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.17 1dfh s LEU 61 Cb -0.17 -0.76 -0.06 0.00 0.03 0.00 0.00 46.19 45.22 1dfh s LEU 61 CO -0.07 -0.04 0.48 -1.58 0.23 0.00 0.00 176.35 175.37 1dfh s GLN 62 N -2.49 3.88 -0.28 1.70 0.74 -1.26 -0.61 119.66 121.35 1dfh s GLN 62 Ca 0.11 0.35 -0.11 0.00 0.05 0.00 0.00 55.36 55.76 1dfh s GLN 62 Cb -0.07 -2.98 0.11 0.00 1.10 0.00 0.00 33.01 31.18 1dfh s GLN 62 CO 0.05 0.52 0.62 0.00 -0.55 0.00 0.00 175.29 175.93 1dfh s ASP 64 N 2.49 5.14 0.01 0.00 -1.08 -1.26 -4.06 116.67 117.91 1dfh s ASP 64 Ca -0.07 -1.19 0.06 0.00 -0.52 0.00 0.00 52.55 50.84 1dfh s ASP 64 Cb -0.10 -1.80 0.28 0.00 -1.46 0.00 0.00 42.92 39.83 1dfh s ASP 64 CO -0.18 -0.30 1.20 1.33 0.52 0.00 0.00 175.17 177.75 1dfh n VAL 65 N 4.73 1.57 0.33 1.11 0.24 -1.26 -1.61 118.33 123.44 1dfh n VAL 65 Ca -0.13 0.40 0.15 0.00 -2.04 0.00 0.00 64.34 62.73 1dfh n VAL 65 Cb 0.44 -1.30 0.62 0.00 -1.47 0.00 0.00 33.84 32.13 1dfh n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dfh h ALA 66 N 2.20 1.00 -3.23 2.33 0.00 -1.93 -3.43 119.26 116.20 1dfh h ALA 66 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1dfh h ALA 66 Cb 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.56 1dfh h ALA 66 CO 0.00 0.00 -0.87 -1.21 0.00 0.00 0.00 179.25 177.17 1dfh s GLU 67 N -3.53 3.01 0.13 0.00 2.02 -0.64 -5.01 118.70 114.69 1dfh s GLU 67 Ca 0.02 -0.86 -0.17 0.00 0.02 0.00 0.00 54.97 53.99 1dfh s GLU 67 Cb 0.09 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 1dfh s GLU 67 CO 0.47 0.02 1.72 -0.44 0.02 0.00 0.00 175.26 177.04 1dfh h ASP 68 N 7.22 0.48 -0.68 -0.19 3.32 -1.85 -2.47 116.42 122.25 1dfh h ASP 68 Ca -0.30 -0.12 0.09 0.00 0.02 0.00 0.00 57.03 56.72 1dfh h ASP 68 Cb 1.20 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.56 1dfh h ASP 68 CO 0.54 0.46 0.33 0.00 -1.72 0.00 0.00 179.24 178.85 1dfh h ALA 69 N 1.04 0.92 -0.25 3.45 0.00 -1.95 -0.02 119.26 122.46 1dfh h ALA 69 Ca 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1dfh h ALA 69 Cb 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1dfh h ALA 69 CO -0.02 -0.06 0.10 1.03 0.00 0.00 0.00 179.25 180.29 1dfh h SER 70 N 0.57 0.30 -0.03 0.00 0.87 -1.73 -0.44 113.55 113.09 1dfh h SER 70 Ca 0.33 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.71 1dfh h SER 70 Cb 0.34 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1dfh h SER 70 CO -0.26 0.28 -0.59 0.40 -0.53 0.00 0.00 176.83 176.13 1dfh h ILE 71 N 0.34 1.40 -0.20 2.23 2.04 -0.66 -2.48 117.51 120.18 1dfh h ILE 71 Ca 0.09 -2.01 -0.01 0.00 1.00 0.00 0.00 64.86 63.93 1dfh h ILE 71 Cb 0.08 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1dfh h ILE 71 CO -0.01 0.59 0.10 0.44 0.00 0.00 0.00 178.15 179.27 1dfh h ASP 72 N -0.02 0.26 -0.43 1.72 3.32 -1.11 -1.75 116.42 118.41 1dfh h ASP 72 Ca -0.06 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 56.90 1dfh h ASP 72 Cb 1.28 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 1dfh h ASP 72 CO 0.12 0.31 0.21 0.74 -1.72 0.00 0.00 179.24 178.90 1dfh h THR 73 N 0.20 0.96 -0.42 0.35 2.02 -1.13 0.11 112.91 115.00 1dfh h THR 73 Ca 0.07 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.12 1dfh h THR 73 Cb 0.11 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1dfh h THR 73 CO -0.01 0.08 0.25 -0.03 0.37 0.00 0.00 175.52 176.18 1dfh h MET 74 N 0.42 0.49 0.00 6.66 1.85 -1.14 -0.89 114.93 122.33 1dfh h MET 74 Ca 0.19 -0.03 -0.09 0.00 -0.61 0.00 0.00 59.70 59.15 1dfh h MET 74 Cb 0.10 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.01 1dfh h MET 74 CO -0.14 0.33 -0.44 0.74 -0.40 0.00 0.00 176.91 177.00 1dfh h PHE 75 N 0.51 0.00 -0.55 1.39 0.04 -0.89 0.12 116.94 117.56 1dfh h PHE 75 Ca 0.16 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.86 1dfh h PHE 75 Cb -0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1dfh h PHE 75 CO -0.07 0.44 0.05 0.00 -0.60 0.00 0.00 178.31 178.13 1dfh h ALA 76 N 1.56 1.04 0.01 2.45 0.00 -0.42 0.44 119.26 124.34 1dfh h ALA 76 Ca -0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.40 1dfh h ALA 76 Cb 0.83 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1dfh h ALA 76 CO 0.06 0.61 -1.00 0.93 0.00 0.00 0.00 179.25 179.84 1dfh h GLU 77 N 0.85 0.52 -0.63 0.00 4.39 -0.54 -3.16 114.58 116.00 1dfh h GLU 77 Ca 0.17 -0.57 -0.06 0.00 0.34 0.00 0.00 59.36 59.24 1dfh h GLU 77 Cb 0.44 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1dfh h GLU 77 CO 0.02 1.20 0.17 1.25 -1.16 0.00 0.00 179.01 180.48 1dfh h LEU 78 N 0.28 0.92 -2.74 1.33 5.85 -0.43 -2.08 115.31 118.44 1dfh h LEU 78 Ca -0.10 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1dfh h LEU 78 Cb 1.65 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 1dfh h LEU 78 CO 0.18 0.88 0.08 1.23 -0.34 0.00 0.00 178.44 180.47 1dfh h GLY 79 N 1.04 0.00 1.10 3.75 0.00 -0.88 0.13 103.07 108.21 1dfh h GLY 79 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 1dfh h GLY 79 CO -0.00 0.00 0.11 0.50 0.00 0.00 0.00 176.54 177.15 1dfh h LYS 80 N 0.00 1.10 0.00 4.80 1.57 -1.41 -3.13 116.57 119.50 1dfh h LYS 80 Ca 0.00 -0.29 -0.32 0.00 -1.87 0.00 0.00 60.65 58.18 1dfh h LYS 80 Cb 0.15 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 1dfh h LYS 80 CO -0.00 1.00 -2.20 1.33 -0.57 0.00 0.00 179.45 179.02 1dfh n VAL 81 N -4.21 1.20 -3.60 0.50 0.24 -0.65 -4.76 118.33 107.05 1dfh n VAL 81 Ca 0.04 -0.64 -0.27 0.00 -2.04 0.00 0.00 64.34 61.43 1dfh n VAL 81 Cb 0.29 -0.79 -0.10 0.00 -1.47 0.00 0.00 33.84 31.77 1dfh n VAL 81 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1dfh n TRP 82 N -2.80 2.75 0.19 6.34 7.02 0.37 -4.93 117.44 126.37 1dfh n TRP 82 Ca -0.31 -4.10 0.18 0.00 -1.02 0.00 0.00 57.50 52.25 1dfh n TRP 82 Cb 1.01 -0.50 0.82 0.00 -2.42 0.00 0.00 31.31 30.22 1dfh n TRP 82 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1dfh h PRO 83 N 4.79 0.00 -3.96 -0.99 0.13 -1.74 -3.38 132.00 126.85 1dfh h PRO 83 Ca 0.17 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.09 1dfh h PRO 83 Cb 0.74 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.63 1dfh h PRO 83 CO 0.72 0.00 -0.71 0.15 -0.23 0.00 0.00 178.00 177.92 1dfh s LYS 84 N -4.60 0.22 0.28 0.86 -0.14 -1.26 -4.74 119.74 110.36 1dfh s LYS 84 Ca -0.05 -0.36 0.01 0.00 -1.36 0.00 0.00 55.97 54.21 1dfh s LYS 84 Cb 0.15 -0.00 -0.00 0.00 -1.68 0.00 0.00 37.83 36.30 1dfh s LYS 84 CO 0.53 -0.01 0.35 1.97 -0.76 0.00 0.00 175.35 177.43 1dfh n PHE 85 N 2.25 -1.09 -1.08 3.18 -1.74 0.36 -4.95 117.46 114.38 1dfh n PHE 85 Ca -0.19 -2.00 0.06 0.00 -0.56 0.00 0.00 57.45 54.77 1dfh n PHE 85 Cb 0.57 0.39 0.24 0.00 1.52 0.00 0.00 39.48 42.20 1dfh n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1dfh n ASP 86 N -1.78 3.57 0.00 5.98 8.00 -0.69 -0.16 116.55 131.46 1dfh n ASP 86 Ca 0.02 -3.15 0.00 0.00 0.71 0.00 0.00 54.79 52.37 1dfh n ASP 86 Cb 0.48 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1dfh n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dfh n GLY 87 N -0.68 1.64 3.18 0.44 0.00 -1.26 -2.11 105.19 106.42 1dfh n GLY 87 Ca 0.23 -2.24 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 1dfh n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dfh s PHE 88 N -1.45 0.22 -0.19 1.61 -0.12 -1.20 -1.73 117.98 115.11 1dfh s PHE 88 Ca 0.00 -0.66 -0.05 0.00 -0.05 0.00 0.00 56.93 56.17 1dfh s PHE 88 Cb 0.00 -0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.24 1dfh s PHE 88 CO 0.00 -0.51 0.00 0.08 -0.05 0.00 0.00 175.22 174.75 1dfh s VAL 89 N -3.81 4.05 -0.37 -2.49 1.01 0.29 -2.46 120.40 116.61 1dfh s VAL 89 Ca 0.05 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 1dfh s VAL 89 Cb 0.05 -2.82 0.06 0.00 0.00 0.00 0.00 36.38 33.67 1dfh s VAL 89 CO -0.11 0.44 0.16 -2.28 0.00 0.00 0.00 175.10 173.31 1dfh s HIS 90 N 0.87 3.31 -0.48 5.22 2.46 0.42 -2.32 115.29 124.77 1dfh s HIS 90 Ca 0.01 -1.54 0.08 0.00 0.47 0.00 0.00 55.06 54.09 1dfh s HIS 90 Cb -0.14 -2.58 0.35 0.00 -0.13 0.00 0.00 32.58 30.08 1dfh s HIS 90 CO 0.02 -0.79 0.85 0.45 -2.47 0.00 0.00 174.74 172.80 1dfh n SER 91 N 4.83 2.73 -4.08 9.88 2.88 -1.26 -3.03 113.62 125.57 1dfh n SER 91 Ca -0.11 -3.36 -0.19 0.00 -1.33 0.00 0.00 58.87 53.88 1dfh n SER 91 Cb 0.44 -0.59 -0.14 0.00 -0.75 0.00 0.00 64.21 63.17 1dfh n SER 91 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1dfh s ILE 92 N -3.51 0.91 0.10 2.46 1.01 -1.26 -4.36 121.20 116.55 1dfh s ILE 92 Ca 0.44 -0.70 -0.26 0.00 0.00 0.00 0.00 60.65 60.14 1dfh s ILE 92 Cb 0.32 -0.80 0.08 0.00 0.01 0.00 0.00 42.46 42.06 1dfh s ILE 92 CO -0.11 0.10 0.86 -0.83 0.00 0.00 0.00 174.94 174.96 1dfh s GLY 93 N -0.68 -0.37 -0.18 6.18 0.00 -1.26 -4.72 107.32 106.30 1dfh s GLY 93 Ca 0.02 0.51 -0.30 0.00 0.00 0.00 0.00 44.72 44.95 1dfh s GLY 93 CO 0.00 0.16 1.02 -0.12 0.00 0.00 0.00 173.10 174.16 1dfh s PHE 94 N -3.34 -0.36 -0.21 1.90 5.36 -1.26 -4.94 117.98 115.13 1dfh s PHE 94 Ca 0.07 0.65 -0.24 0.00 -0.96 0.00 0.00 56.93 56.45 1dfh s PHE 94 Cb -0.02 0.44 0.06 0.00 -0.34 0.00 0.00 43.02 43.17 1dfh s PHE 94 CO -0.04 -0.32 0.65 0.00 -1.46 0.00 0.00 175.22 174.05 1dfh s ALA 95 N -0.99 -1.62 0.46 11.12 0.00 -1.26 -4.08 121.76 125.40 1dfh s ALA 95 Ca -0.01 1.71 -0.25 0.00 0.00 0.00 0.00 51.96 53.41 1dfh s ALA 95 Cb -0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 23.12 22.17 1dfh s ALA 95 CO 0.01 -0.32 1.41 -2.14 0.00 0.00 0.00 175.76 174.71 1dfh s PRO 96 N 0.04 3.64 0.22 0.00 0.02 -1.26 -4.90 135.00 132.76 1dfh s PRO 96 Ca -0.02 2.37 -0.17 0.00 0.02 0.00 0.00 61.00 63.20 1dfh s PRO 96 Cb -0.04 -2.61 0.23 0.00 0.02 0.00 0.00 34.50 32.10 1dfh s PRO 96 CO 0.02 -0.84 1.56 0.78 -0.33 0.00 0.00 177.00 178.20 1dfh h GLY 97 N 2.25 0.11 1.24 0.52 0.00 -2.01 -0.92 103.07 104.26 1dfh h GLY 97 Ca -0.51 0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.31 1dfh h GLY 97 CO 0.61 -0.23 0.36 1.29 0.00 0.00 0.00 176.54 178.57 1dfh h ASP 98 N -0.04 0.00 1.40 0.19 2.03 -1.96 -1.73 116.42 116.31 1dfh h ASP 98 Ca 0.33 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.61 1dfh h ASP 98 Cb 0.60 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.09 1dfh h ASP 98 CO -0.90 0.00 -0.10 1.56 -1.03 0.00 0.00 179.24 178.77 1dfh h GLN 99 N 0.00 0.00 -0.76 4.15 1.08 -1.43 -3.34 115.11 114.82 1dfh h GLN 99 Ca 0.04 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.77 1dfh h GLN 99 Cb 0.75 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 27.92 1dfh h GLN 99 CO -0.00 0.10 0.22 1.28 -0.95 0.00 0.00 178.83 179.47 1dfh n LEU 100 N -3.17 5.90 -3.68 1.46 4.32 -0.65 -4.42 117.00 116.76 1dfh n LEU 100 Ca 0.02 -4.09 -0.14 0.00 -0.02 0.00 0.00 56.01 51.78 1dfh n LEU 100 Cb 0.46 -0.73 -0.14 0.00 -1.62 0.00 0.00 43.42 41.39 1dfh n LEU 100 CO 0.32 1.45 -0.16 -0.62 -1.22 0.00 0.00 177.39 177.17 1dfh s ASP 101 N -2.28 0.27 0.00 -1.43 2.15 -1.25 -2.74 116.67 111.38 1dfh s ASP 101 Ca 0.55 0.51 0.00 0.00 0.43 0.00 0.00 52.55 54.04 1dfh s ASP 101 Cb 0.45 0.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.60 1dfh s ASP 101 CO 0.02 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 1dfh n GLY 102 N 5.03 -2.08 3.68 2.66 0.00 -1.26 -4.78 105.19 108.44 1dfh n GLY 102 Ca -0.11 -1.48 -0.64 0.00 0.00 0.00 0.00 46.02 43.79 1dfh n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dfh n ASP 103 N 0.90 1.10 0.08 1.61 -0.08 -1.26 -4.51 116.55 114.38 1dfh n ASP 103 Ca 0.00 1.16 -0.12 0.00 -1.51 0.00 0.00 54.79 54.32 1dfh n ASP 103 Cb 0.00 -0.94 -0.05 0.00 2.34 0.00 0.00 41.12 42.47 1dfh n ASP 103 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1dfh h TYR 104 N 4.79 -0.87 -0.83 -0.67 3.20 -1.94 0.18 116.97 120.83 1dfh h TYR 104 Ca -0.46 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.44 1dfh h TYR 104 Cb 1.38 0.38 -0.04 0.00 1.54 0.00 0.00 36.73 39.99 1dfh h TYR 104 CO 0.64 -0.42 0.54 0.28 -1.64 0.00 0.00 178.16 177.57 1dfh h VAL 105 N -0.49 1.22 -0.01 1.81 2.07 -1.95 0.04 116.25 118.94 1dfh h VAL 105 Ca 0.05 -0.41 -0.19 0.00 0.82 0.00 0.00 66.70 66.97 1dfh h VAL 105 Cb 0.56 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1dfh h VAL 105 CO -0.24 0.21 -0.83 0.78 0.02 0.00 0.00 177.57 177.52 1dfh h ASN 106 N 1.13 0.26 0.44 0.57 2.35 -1.86 -3.31 115.58 115.16 1dfh h ASN 106 Ca 0.30 -0.20 -0.23 0.00 -0.55 0.00 0.00 56.30 55.62 1dfh h ASN 106 Cb -0.11 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1dfh h ASN 106 CO -0.06 0.97 -1.00 0.00 -1.65 0.00 0.00 177.43 175.69 1dfh h ALA 107 N 1.02 0.32 -2.89 -0.83 0.00 0.06 -3.47 119.26 113.47 1dfh h ALA 107 Ca -0.04 -0.75 -0.53 0.00 0.00 0.00 0.00 54.91 53.59 1dfh h ALA 107 Cb 1.43 -0.02 0.09 0.00 0.00 0.00 0.00 17.79 19.29 1dfh h ALA 107 CO 0.13 0.87 0.63 0.54 0.00 0.00 0.00 179.25 181.41 1dfh s VAL 108 N -3.12 2.51 0.06 0.00 0.11 -0.06 -4.67 120.40 115.23 1dfh s VAL 108 Ca -0.05 0.45 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 1dfh s VAL 108 Cb 0.09 -3.27 -0.04 0.00 -1.53 0.00 0.00 36.38 31.63 1dfh s VAL 108 CO 0.86 0.06 -0.04 0.42 -3.33 0.00 0.00 175.10 173.08 1dfh s THR 109 N -1.26 0.35 0.21 5.04 -4.23 -1.26 -5.01 115.64 109.49 1dfh s THR 109 Ca 0.58 -1.71 -0.09 0.00 -1.18 0.00 0.00 61.69 59.29 1dfh s THR 109 Cb -0.39 -1.38 0.15 0.00 1.34 0.00 0.00 72.50 72.22 1dfh s THR 109 CO 0.50 -0.88 1.74 -0.09 -0.54 0.00 0.00 174.62 175.35 1dfh h ARG 110 N 3.34 0.39 -0.09 3.99 2.43 -1.99 0.16 114.38 122.61 1dfh h ARG 110 Ca -0.34 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 1dfh h ARG 110 Cb 1.16 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1dfh h ARG 110 CO 0.62 0.26 0.01 1.49 -1.51 0.00 0.00 179.97 180.83 1dfh h GLU 111 N 0.41 0.15 -0.31 0.20 4.57 -1.98 -1.17 114.58 116.45 1dfh h GLU 111 Ca 0.31 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.48 1dfh h GLU 111 Cb 0.38 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 1dfh h GLU 111 CO -0.31 0.39 0.07 0.78 -1.18 0.00 0.00 179.01 178.77 1dfh h GLY 112 N -0.10 0.36 0.50 1.92 0.00 -1.86 0.91 103.07 104.79 1dfh h GLY 112 Ca 0.03 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.38 1dfh h GLY 112 CO 0.00 -0.00 0.05 -2.75 0.00 0.00 0.00 176.54 173.85 1dfh h PHE 113 N 0.19 0.08 -0.08 5.60 3.04 -0.59 -0.80 116.94 124.38 1dfh h PHE 113 Ca 0.14 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.11 1dfh h PHE 113 Cb 0.14 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 1dfh h PHE 113 CO -0.16 -0.01 0.05 -0.22 -2.02 0.00 0.00 178.31 175.94 1dfh h LYS 114 N 0.17 0.12 -0.13 1.11 3.64 -0.15 -0.67 116.57 120.66 1dfh h LYS 114 Ca 0.18 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1dfh h LYS 114 Cb 0.23 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1dfh h LYS 114 CO -0.26 0.15 0.05 0.82 -2.27 0.00 0.00 179.45 177.95 1dfh h ILE 115 N 0.05 1.15 -0.45 2.00 2.04 -0.67 -0.04 117.51 121.60 1dfh h ILE 115 Ca 0.03 -0.46 0.09 0.00 1.00 0.00 0.00 64.86 65.52 1dfh h ILE 115 Cb 0.07 1.22 -0.09 0.00 -0.74 0.00 0.00 36.82 37.28 1dfh h ILE 115 CO -0.00 0.14 -0.16 0.00 0.00 0.00 0.00 178.15 178.12 1dfh h ALA 116 N 0.89 0.21 -0.14 1.87 0.00 -0.95 -0.06 119.26 121.08 1dfh h ALA 116 Ca 0.04 0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 1dfh h ALA 116 Cb 0.17 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1dfh h ALA 116 CO -0.00 -0.50 -0.61 0.45 0.00 0.00 0.00 179.25 178.58 1dfh h HIS 117 N -0.06 0.63 1.02 0.00 3.86 -1.01 -1.95 115.15 117.63 1dfh h HIS 117 Ca 0.22 -0.24 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 1dfh h HIS 117 Cb 0.40 -0.11 0.01 0.00 1.06 0.00 0.00 27.41 28.76 1dfh h HIS 117 CO -0.43 0.97 -0.49 0.22 0.86 0.00 0.00 177.93 179.06 1dfh h ASP 118 N 0.36 -1.16 0.53 2.45 3.58 0.29 -0.11 116.42 122.36 1dfh h ASP 118 Ca -0.01 0.04 -0.17 0.00 0.42 0.00 0.00 57.03 57.31 1dfh h ASP 118 Cb 1.16 0.30 -0.01 0.00 1.72 0.00 0.00 39.33 42.50 1dfh h ASP 118 CO 0.11 -0.83 -0.76 0.40 -2.88 0.00 0.00 179.24 175.28 1dfh h ILE 119 N -1.37 1.46 0.01 2.25 1.08 -1.17 -2.50 117.51 117.27 1dfh h ILE 119 Ca -0.14 -2.38 -0.27 0.00 -0.39 0.00 0.00 64.86 61.68 1dfh h ILE 119 Cb 1.05 2.29 -0.04 0.00 -3.07 0.00 0.00 36.82 37.04 1dfh h ILE 119 CO 0.23 0.70 -1.50 0.28 -0.69 0.00 0.00 178.15 177.17 1dfh h SER 120 N 0.11 0.02 0.00 1.72 0.02 -1.41 -3.39 113.55 110.63 1dfh h SER 120 Ca -0.03 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1dfh h SER 120 Cb 1.34 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.87 1dfh h SER 120 CO 0.11 1.03 -0.64 -0.24 -1.14 0.00 0.00 176.83 175.95 1dfh n SER 121 N -3.16 0.69 -0.27 3.07 2.88 -0.17 -4.78 113.62 111.87 1dfh n SER 121 Ca -0.12 0.10 0.05 0.00 -1.33 0.00 0.00 58.87 57.56 1dfh n SER 121 Cb 1.02 -0.23 0.19 0.00 -0.75 0.00 0.00 64.21 64.44 1dfh n SER 121 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1dfh h TYR 122 N -0.10 0.67 -0.98 0.66 3.20 -1.13 -2.18 116.97 117.10 1dfh h TYR 122 Ca -0.04 0.03 0.29 0.00 3.14 0.00 0.00 58.73 62.15 1dfh h TYR 122 Cb 0.59 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1dfh h TYR 122 CO -0.03 0.17 0.77 0.66 -1.64 0.00 0.00 178.16 178.10 1dfh h SER 123 N 0.58 0.00 -0.31 -2.11 4.64 -1.64 -0.89 113.55 113.82 1dfh h SER 123 Ca 0.42 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.65 1dfh h SER 123 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1dfh h SER 123 CO -0.34 0.00 -0.15 0.15 -0.87 0.00 0.00 176.83 175.62 1dfh h PHE 124 N 0.00 0.76 0.00 4.77 3.57 -1.69 -1.94 116.94 122.40 1dfh h PHE 124 Ca 0.47 -0.19 -0.16 0.00 3.53 0.00 0.00 57.97 61.62 1dfh h PHE 124 Cb 2.01 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.55 1dfh h PHE 124 CO 0.00 0.88 -0.91 -0.24 -2.23 0.00 0.00 178.31 175.81 1dfh h VAL 125 N 0.42 1.07 -0.58 1.41 3.04 -1.36 -2.94 116.25 117.31 1dfh h VAL 125 Ca 0.07 -2.60 -0.04 0.00 -1.01 0.00 0.00 66.70 63.12 1dfh h VAL 125 Cb 0.68 2.49 -0.03 0.00 -2.01 0.00 0.00 31.29 32.42 1dfh h VAL 125 CO 0.05 0.61 0.20 0.00 -1.01 0.00 0.00 177.57 177.41 1dfh h ALA 126 N 1.29 1.26 -0.40 3.17 0.00 -1.12 0.11 119.26 123.57 1dfh h ALA 126 Ca -0.06 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1dfh h ALA 126 Cb 1.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1dfh h ALA 126 CO 0.08 0.53 -0.33 0.52 0.00 0.00 0.00 179.25 180.05 1dfh h MET 127 N 0.84 0.94 -0.62 0.00 2.07 -1.31 -2.53 114.93 114.32 1dfh h MET 127 Ca 0.19 -0.47 -0.09 0.00 -2.07 0.00 0.00 59.70 57.26 1dfh h MET 127 Cb 0.22 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.93 1dfh h MET 127 CO -0.01 1.13 0.03 0.00 1.07 0.00 0.00 176.91 179.13 1dfh h ALA 128 N 0.79 0.88 -0.46 6.32 0.00 -1.18 -2.28 119.26 123.32 1dfh h ALA 128 Ca 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1dfh h ALA 128 Cb 0.92 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1dfh h ALA 128 CO 0.09 0.67 0.23 -0.22 0.00 0.00 0.00 179.25 180.01 1dfh h LYS 129 N 0.99 0.66 0.00 0.00 3.64 -0.78 -0.45 116.57 120.64 1dfh h LYS 129 Ca 0.18 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1dfh h LYS 129 Cb 0.52 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1dfh h LYS 129 CO 0.03 0.56 -0.23 0.00 -2.27 0.00 0.00 179.45 177.53 1dfh h ALA 130 N 1.07 1.51 -0.08 5.00 0.00 -1.15 -3.17 119.26 122.44 1dfh h ALA 130 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1dfh h ALA 130 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dfh h ALA 130 CO -0.02 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1dfh h ARG 132 N 0.50 0.07 0.00 0.00 2.43 -1.05 0.73 114.38 117.06 1dfh h ARG 132 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dfh h ARG 132 Cb 0.63 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1dfh h ARG 132 CO 0.01 0.04 0.00 0.66 -1.51 0.00 0.00 179.97 179.17 1dfh h SER 133 N 0.07 0.00 0.03 -3.80 4.64 -1.86 -2.85 113.55 109.78 1dfh h SER 133 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1dfh h SER 133 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1dfh h SER 133 CO -0.69 0.00 -0.10 0.23 -0.87 0.00 0.00 176.83 175.39 1dfh n MET 134 N -2.69 1.63 -3.18 4.77 2.81 0.25 -4.94 117.12 115.76 1dfh n MET 134 Ca -0.01 -1.13 -0.39 0.00 -1.81 0.00 0.00 57.70 54.36 1dfh n MET 134 Cb 0.15 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.13 1dfh n MET 134 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1dfh s LEU 135 N -2.15 4.55 0.54 4.03 1.43 -1.08 -0.49 118.68 125.51 1dfh s LEU 135 Ca 0.31 1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 54.63 1dfh s LEU 135 Cb 0.20 -3.02 -0.07 0.00 0.03 0.00 0.00 46.19 43.33 1dfh s LEU 135 CO 0.39 0.25 1.00 0.20 0.23 0.00 0.00 176.35 178.42 1dfh s ASN 136 N -1.10 6.49 0.40 2.29 0.01 0.77 -4.87 114.94 118.93 1dfh s ASN 136 Ca 0.31 1.56 -0.26 0.00 -0.71 0.00 0.00 52.86 53.76 1dfh s ASN 136 Cb -0.21 -2.50 -0.09 0.00 0.41 0.00 0.00 41.25 38.86 1dfh s ASN 136 CO 0.21 -0.68 1.25 -2.84 -1.51 0.00 0.00 177.10 173.54 1dfh s PRO 137 N -4.26 4.04 0.00 -0.60 0.02 -1.26 -1.89 135.00 131.05 1dfh s PRO 137 Ca 0.59 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1dfh s PRO 137 Cb -0.11 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.65 1dfh s PRO 137 CO 0.36 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 177.03 1dfh n GLY 138 N 0.69 0.76 3.80 0.52 0.00 0.03 -5.04 105.19 105.95 1dfh n GLY 138 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1dfh n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dfh s SER 139 N -2.42 5.82 -0.01 1.61 0.01 -0.79 -4.90 113.70 113.02 1dfh s SER 139 Ca 0.00 1.84 0.01 0.00 1.31 0.00 0.00 55.95 59.11 1dfh s SER 139 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1dfh s SER 139 CO 0.00 -1.14 -0.04 0.00 0.41 0.00 0.00 173.24 172.47 1dfh s ALA 140 N -2.40 0.35 0.02 1.44 0.00 -0.90 -0.52 121.76 119.75 1dfh s ALA 140 Ca 0.64 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.51 1dfh s ALA 140 Cb -0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1dfh s ALA 140 CO 0.35 0.06 -0.11 -0.51 0.00 0.00 0.00 175.76 175.55 1dfh s LEU 141 N 0.05 2.93 -0.03 0.00 1.43 0.58 -3.26 118.68 120.38 1dfh s LEU 141 Ca -0.00 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1dfh s LEU 141 Cb -0.03 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.51 1dfh s LEU 141 CO -0.00 0.27 0.07 -0.22 0.23 0.00 0.00 176.35 176.70 1dfh s LEU 142 N -1.40 1.67 0.23 1.79 2.96 -1.03 -1.39 118.68 121.51 1dfh s LEU 142 Ca 0.16 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 1dfh s LEU 142 Cb -0.11 0.22 -0.05 0.00 0.50 0.00 0.00 46.19 46.75 1dfh s LEU 142 CO 0.06 -0.03 0.01 0.28 -1.32 0.00 0.00 176.35 175.35 1dfh s THR 143 N 0.13 0.95 -0.19 3.68 -1.32 -0.89 -0.44 115.64 117.57 1dfh s THR 143 Ca -0.01 -2.02 -0.03 0.00 -1.21 0.00 0.00 61.69 58.42 1dfh s THR 143 Cb -0.01 -2.35 -0.01 0.00 -1.51 0.00 0.00 72.50 68.61 1dfh s THR 143 CO -0.00 -0.31 -0.06 -0.76 -2.21 0.00 0.00 174.62 171.28 1dfh s LEU 144 N -3.29 2.94 0.00 9.08 2.01 -1.17 -2.22 118.68 126.02 1dfh s LEU 144 Ca 0.29 -0.32 0.00 0.00 0.01 0.00 0.00 54.13 54.11 1dfh s LEU 144 Cb 0.06 -1.72 0.00 0.00 0.01 0.00 0.00 46.19 44.54 1dfh s LEU 144 CO 0.09 0.06 0.00 -0.24 1.01 0.00 0.00 176.35 177.27 1dfh n SER 145 N 4.22 1.56 -3.57 2.29 2.88 0.15 -4.94 113.62 116.21 1dfh n SER 145 Ca -0.18 -0.79 -0.16 0.00 -1.33 0.00 0.00 58.87 56.41 1dfh n SER 145 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 1dfh n SER 145 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1dfh s TYR 146 N -0.18 -0.53 0.56 0.66 5.04 -1.26 -2.82 117.35 118.82 1dfh s TYR 146 Ca 0.00 0.83 0.33 0.00 -2.44 0.00 0.00 57.07 55.78 1dfh s TYR 146 Cb 0.00 0.35 1.46 0.00 0.35 0.00 0.00 41.96 44.12 1dfh s TYR 146 CO 0.00 -0.59 1.80 1.25 -1.34 0.00 0.00 175.55 176.67 1dfh h LEU 147 N 3.06 0.00 -1.66 6.97 5.85 -1.90 -0.87 115.31 126.75 1dfh h LEU 147 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1dfh h LEU 147 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1dfh h LEU 147 CO 0.40 0.00 0.32 1.23 -0.34 0.00 0.00 178.44 180.05 1dfh h GLY 148 N 0.00 0.00 1.99 3.75 0.00 -1.93 0.66 103.07 107.54 1dfh h GLY 148 Ca 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.64 1dfh h GLY 148 CO -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 176.54 175.95 1dfh h ALA 149 N 1.30 1.03 0.00 3.60 0.00 -1.31 -3.34 119.26 120.55 1dfh h ALA 149 Ca 0.00 -0.53 -0.36 0.00 0.00 0.00 0.00 54.91 54.02 1dfh h ALA 149 Cb 0.65 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1dfh h ALA 149 CO 0.00 0.73 -2.35 0.39 0.00 0.00 0.00 179.25 178.01 1dfh n GLU 150 N -3.85 0.78 -4.24 0.00 1.02 0.15 -4.55 120.64 109.95 1dfh n GLU 150 Ca -0.01 0.01 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 1dfh n GLU 150 Cb 0.59 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.40 1dfh n GLU 150 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1dfh s ARG 151 N -2.48 1.02 -0.38 3.49 0.52 -0.75 -5.10 118.95 115.27 1dfh s ARG 151 Ca -0.13 -1.28 -0.26 0.00 -0.52 0.00 0.00 55.73 53.54 1dfh s ARG 151 Cb 0.06 -0.83 0.02 0.00 0.52 0.00 0.00 34.95 34.72 1dfh s ARG 151 CO 0.77 0.15 0.96 0.00 0.02 0.00 0.00 175.30 177.20 1dfh s ALA 152 N -2.40 3.38 -0.10 2.13 0.00 -1.26 -4.30 121.76 119.21 1dfh s ALA 152 Ca 0.10 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1dfh s ALA 152 Cb -0.03 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 1dfh s ALA 152 CO 0.03 -1.68 -0.16 0.42 0.00 0.00 0.00 175.76 174.37 1dfh s ILE 153 N 3.60 2.83 0.32 0.00 1.01 -1.26 -5.10 121.20 122.60 1dfh s ILE 153 Ca 0.40 -0.76 -0.28 0.00 0.00 0.00 0.00 60.65 60.00 1dfh s ILE 153 Cb -0.11 -2.14 -0.13 0.00 0.01 0.00 0.00 42.46 40.08 1dfh s ILE 153 CO 0.20 0.55 1.17 -2.65 0.00 0.00 0.00 174.94 174.21 1dfh n PRO 154 N 3.14 1.79 0.00 2.79 -0.02 -1.26 -2.68 135.00 138.76 1dfh n PRO 154 Ca -0.18 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1dfh n PRO 154 Cb 0.52 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1dfh n PRO 154 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1dfh n ASN 155 N 0.97 0.00 0.17 2.55 3.02 -1.26 -4.68 115.26 116.02 1dfh n ASN 155 Ca 0.07 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.65 1dfh n ASN 155 Cb 0.34 -0.08 0.41 0.00 -0.61 0.00 0.00 39.78 39.84 1dfh n ASN 155 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1dfh h TYR 156 N 0.00 0.10 0.00 3.10 3.20 -1.81 -3.37 116.97 118.19 1dfh h TYR 156 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1dfh h TYR 156 Cb 0.00 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1dfh h TYR 156 CO 0.00 0.33 0.00 0.09 -1.64 0.00 0.00 178.16 176.94 1dfh n ASN 157 N -4.22 0.00 0.15 -2.11 3.02 -1.25 -1.74 115.26 109.10 1dfh n ASN 157 Ca -0.02 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.72 1dfh n ASN 157 Cb 0.31 0.00 0.74 0.00 -0.61 0.00 0.00 39.78 40.22 1dfh n ASN 157 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1dfh h VAL 158 N 0.00 0.25 0.00 2.41 3.04 -1.87 0.22 116.25 120.30 1dfh h VAL 158 Ca 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 1dfh h VAL 158 Cb 0.00 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 1dfh h VAL 158 CO 0.00 0.00 -0.22 0.24 -1.01 0.00 0.00 177.57 176.58 1dfh h MET 159 N 0.00 0.00 -0.06 4.17 2.86 -1.70 -1.69 114.93 118.52 1dfh h MET 159 Ca 0.15 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1dfh h MET 159 Cb 1.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 1dfh h MET 159 CO -0.00 0.22 0.03 0.78 1.06 0.00 0.00 176.91 178.99 1dfh h GLY 160 N 1.19 0.09 1.02 8.32 0.00 -0.64 -0.25 103.07 112.80 1dfh h GLY 160 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1dfh h GLY 160 CO 0.03 0.04 0.36 1.41 0.00 0.00 0.00 176.54 178.38 1dfh h LEU 161 N -0.01 0.97 -1.25 3.11 4.07 -1.47 -2.52 115.31 118.21 1dfh h LEU 161 Ca 0.02 -0.13 -0.05 0.00 0.08 0.00 0.00 57.88 57.80 1dfh h LEU 161 Cb 0.10 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 1dfh h LEU 161 CO -0.00 0.83 -0.06 0.00 -1.08 0.00 0.00 178.44 178.12 1dfh h ALA 162 N 1.18 1.38 -0.00 1.53 0.00 -1.02 -2.02 119.26 120.31 1dfh h ALA 162 Ca 0.26 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1dfh h ALA 162 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1dfh h ALA 162 CO -0.03 0.43 -0.74 0.87 0.00 0.00 0.00 179.25 179.78 1dfh h LYS 163 N 0.42 0.04 -0.27 0.00 1.79 -0.74 -1.27 116.57 116.53 1dfh h LYS 163 Ca 0.09 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 1dfh h LYS 163 Cb 0.37 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1dfh h LYS 163 CO 0.02 0.76 0.08 0.00 -1.08 0.00 0.00 179.45 179.22 1dfh h ALA 164 N 1.23 0.35 -0.85 3.86 0.00 -1.16 0.29 119.26 122.99 1dfh h ALA 164 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1dfh h ALA 164 Cb 1.30 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1dfh h ALA 164 CO 0.10 -0.01 0.48 1.03 0.00 0.00 0.00 179.25 180.85 1dfh h SER 165 N 0.27 1.05 -0.18 0.00 0.87 -1.30 -1.78 113.55 112.49 1dfh h SER 165 Ca 0.09 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1dfh h SER 165 Cb 0.25 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1dfh h SER 165 CO -0.00 0.84 0.11 0.25 -0.53 0.00 0.00 176.83 177.49 1dfh h LEU 166 N 1.18 0.18 -1.75 2.23 5.85 -0.43 0.22 115.31 122.78 1dfh h LEU 166 Ca 0.30 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1dfh h LEU 166 Cb 0.01 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1dfh h LEU 166 CO -0.05 0.13 -0.16 -0.33 -0.34 0.00 0.00 178.44 177.69 1dfh h GLU 167 N 0.22 0.00 -0.05 1.25 5.08 -0.12 -0.11 114.58 120.86 1dfh h GLU 167 Ca 0.07 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.22 1dfh h GLU 167 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1dfh h GLU 167 CO -0.02 0.16 -0.84 0.00 -1.00 0.00 0.00 179.01 177.31 1dfh h ALA 168 N 1.84 0.44 -0.88 3.43 0.00 -0.67 -2.79 119.26 120.63 1dfh h ALA 168 Ca -0.00 -0.65 0.09 0.00 0.00 0.00 0.00 54.91 54.35 1dfh h ALA 168 Cb 0.32 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1dfh h ALA 168 CO 0.02 0.77 0.53 -0.97 0.00 0.00 0.00 179.25 179.60 1dfh h ASN 169 N 0.30 0.78 -0.78 0.00 -1.24 0.13 -1.28 115.58 113.48 1dfh h ASN 169 Ca -0.06 0.04 0.05 0.00 0.71 0.00 0.00 56.30 57.04 1dfh h ASN 169 Cb 1.45 -0.12 -0.05 0.00 0.73 0.00 0.00 38.32 40.33 1dfh h ASN 169 CO 0.15 0.45 0.48 0.58 -1.29 0.00 0.00 177.43 177.80 1dfh h VAL 170 N 0.89 1.05 -0.26 2.57 2.07 -1.08 0.29 116.25 121.78 1dfh h VAL 170 Ca 0.42 -0.31 -0.17 0.00 0.82 0.00 0.00 66.70 67.46 1dfh h VAL 170 Cb 0.35 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1dfh h VAL 170 CO -0.23 0.16 -0.49 0.03 0.02 0.00 0.00 177.57 177.06 1dfh h ARG 171 N 0.90 0.80 -0.20 1.57 3.08 -1.19 -0.58 114.38 118.75 1dfh h ARG 171 Ca 0.33 -0.50 -0.16 0.00 0.07 0.00 0.00 59.98 59.72 1dfh h ARG 171 Cb 0.12 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1dfh h ARG 171 CO -0.15 1.13 -0.54 1.88 -1.07 0.00 0.00 179.97 181.22 1dfh h TYR 172 N 0.55 0.75 -0.15 3.04 -1.99 -0.89 -1.63 116.97 116.65 1dfh h TYR 172 Ca 0.01 -0.27 -0.03 0.00 2.00 0.00 0.00 58.73 60.45 1dfh h TYR 172 Cb 1.10 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.68 1dfh h TYR 172 CO 0.08 1.01 -0.03 0.52 -0.00 0.00 0.00 178.16 179.74 1dfh h MET 173 N 0.46 0.29 -0.52 4.88 2.86 -0.43 -1.62 114.93 120.86 1dfh h MET 173 Ca 0.01 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1dfh h MET 173 Cb 1.09 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.66 1dfh h MET 173 CO 0.10 0.55 0.13 0.00 1.06 0.00 0.00 176.91 178.76 1dfh h ALA 174 N 0.73 0.61 -0.31 6.32 0.00 -1.00 0.27 119.26 125.89 1dfh h ALA 174 Ca 0.04 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1dfh h ALA 174 Cb 0.44 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1dfh h ALA 174 CO 0.01 -0.28 -0.30 -0.97 0.00 0.00 0.00 179.25 177.72 1dfh h ASN 175 N 0.28 0.66 0.26 0.00 -1.24 -1.21 -1.35 115.58 112.98 1dfh h ASN 175 Ca 0.26 -0.25 -0.22 0.00 0.71 0.00 0.00 56.30 56.80 1dfh h ASN 175 Cb 0.34 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1dfh h ASN 175 CO -0.32 0.92 -0.89 0.00 -1.29 0.00 0.00 177.43 175.85 1dfh h ALA 176 N 1.13 0.39 0.00 1.57 0.00 -0.57 -3.35 119.26 118.44 1dfh h ALA 176 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1dfh h ALA 176 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1dfh h ALA 176 CO 0.06 0.79 -1.04 -1.33 0.00 0.00 0.00 179.25 177.73 1dfh n MET 177 N -3.79 0.11 -0.10 0.00 2.81 0.02 -4.56 117.12 111.61 1dfh n MET 177 Ca -0.06 -0.02 -0.07 0.00 -1.81 0.00 0.00 57.70 55.73 1dfh n MET 177 Cb 0.80 -1.52 -0.01 0.00 -0.71 0.00 0.00 33.22 31.79 1dfh n MET 177 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1dfh h GLY 178 N 4.83 -0.11 1.97 3.03 0.00 -1.30 -0.75 103.07 110.74 1dfh h GLY 178 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1dfh h GLY 178 CO 0.00 -0.21 0.01 -2.55 0.00 0.00 0.00 176.54 173.80 1dfh h PRO 179 N -0.21 0.00 -0.01 4.80 0.11 -1.82 0.61 132.00 135.47 1dfh h PRO 179 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1dfh h PRO 179 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1dfh h PRO 179 CO -0.49 0.00 -0.23 0.39 -0.21 0.00 0.00 178.00 177.46 1dfh n GLU 180 N -3.21 0.84 -0.44 1.05 1.02 -0.32 -4.92 120.64 114.67 1dfh n GLU 180 Ca -0.03 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.64 1dfh n GLU 180 Cb 0.08 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1dfh n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dfh n GLY 181 N 1.33 1.00 3.61 0.62 0.00 0.21 -4.65 105.19 107.32 1dfh n GLY 181 Ca 0.13 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1dfh n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dfh s VAL 182 N -2.00 4.31 0.10 1.61 1.01 -1.01 -0.79 120.40 123.63 1dfh s VAL 182 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1dfh s VAL 182 Cb 0.00 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1dfh s VAL 182 CO 0.00 0.53 0.08 -0.13 0.00 0.00 0.00 175.10 175.58 1dfh s ARG 183 N -0.18 2.83 -0.06 2.72 0.52 0.32 -3.61 118.95 121.49 1dfh s ARG 183 Ca 0.05 -0.75 -0.01 0.00 -0.52 0.00 0.00 55.73 54.50 1dfh s ARG 183 Cb -0.12 -2.68 0.03 0.00 0.52 0.00 0.00 34.95 32.69 1dfh s ARG 183 CO 0.02 0.55 0.01 0.08 0.02 0.00 0.00 175.30 175.97 1dfh s VAL 184 N -1.44 0.31 0.26 3.52 1.01 -1.26 -0.31 120.40 122.48 1dfh s VAL 184 Ca 0.29 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.45 1dfh s VAL 184 Cb -0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1dfh s VAL 184 CO 0.22 0.24 0.20 0.20 0.00 0.00 0.00 175.10 175.95 1dfh s ASN 185 N 1.87 0.91 0.06 3.32 0.01 -0.49 0.89 114.94 121.51 1dfh s ASN 185 Ca 0.03 -1.56 -0.00 0.00 -0.71 0.00 0.00 52.86 50.61 1dfh s ASN 185 Cb -0.12 0.46 -0.04 0.00 0.41 0.00 0.00 41.25 41.95 1dfh s ASN 185 CO -0.04 -0.94 -0.04 0.00 -1.51 0.00 0.00 177.10 174.57 1dfh s ALA 186 N -3.81 0.60 -0.13 0.60 0.00 0.54 -2.09 121.76 117.47 1dfh s ALA 186 Ca 0.40 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1dfh s ALA 186 Cb 0.05 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.43 1dfh s ALA 186 CO 0.19 -0.34 -0.16 0.42 0.00 0.00 0.00 175.76 175.87 1dfh s ILE 187 N -3.85 1.62 -0.62 0.00 1.01 -0.94 -0.72 121.20 117.70 1dfh s ILE 187 Ca 0.08 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 59.85 1dfh s ILE 187 Cb 0.07 -1.48 0.13 0.00 0.01 0.00 0.00 42.46 41.19 1dfh s ILE 187 CO -0.09 0.47 0.67 -0.55 0.00 0.00 0.00 174.94 175.43 1dfh s SER 188 N 1.11 6.28 0.29 3.58 0.15 0.11 0.34 113.70 125.57 1dfh s SER 188 Ca -0.03 -1.74 -0.16 0.00 0.70 0.00 0.00 55.95 54.71 1dfh s SER 188 Cb -0.14 -2.26 -0.09 0.00 -1.71 0.00 0.00 66.02 61.81 1dfh s SER 188 CO -0.05 -0.96 0.73 0.00 1.20 0.00 0.00 173.24 174.16 1dfh s ALA 189 N 2.01 3.35 0.86 5.45 0.00 -1.13 -1.11 121.76 131.19 1dfh s ALA 189 Ca 0.11 0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 1dfh s ALA 189 Cb -0.23 -2.78 0.11 0.00 0.00 0.00 0.00 23.12 20.21 1dfh s ALA 189 CO 0.02 0.33 1.14 0.20 0.00 0.00 0.00 175.76 177.45 1dfh s GLY 190 N -2.08 1.59 0.24 0.00 0.00 -0.88 -4.52 107.32 101.68 1dfh s GLY 190 Ca 0.51 -0.48 -0.30 0.00 0.00 0.00 0.00 44.72 44.44 1dfh s GLY 190 CO 0.18 0.03 1.41 2.56 0.00 0.00 0.00 173.10 177.28 1dfh s PRO 191 N -5.33 4.29 -0.13 2.90 0.04 -1.26 -4.90 135.00 130.62 1dfh s PRO 191 Ca 0.62 2.26 -0.03 0.00 0.04 0.00 0.00 61.00 63.89 1dfh s PRO 191 Cb -0.14 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 1dfh s PRO 191 CO 0.52 -0.38 -0.02 0.42 0.04 0.00 0.00 177.00 177.58 1dfh s ILE 192 N -0.02 4.08 0.08 0.56 1.01 -1.26 -4.37 121.20 121.27 1dfh s ILE 192 Ca 0.58 -0.31 -0.31 0.00 0.00 0.00 0.00 60.65 60.62 1dfh s ILE 192 Cb -0.41 -2.76 -0.06 0.00 0.01 0.00 0.00 42.46 39.24 1dfh s ILE 192 CO 0.43 0.54 1.26 -0.60 0.00 0.00 0.00 174.94 176.56 1dfh s ARG 193 N -0.14 4.40 0.18 2.79 3.52 -1.26 -5.03 118.95 123.41 1dfh s ARG 193 Ca 0.03 1.88 -0.05 0.00 -0.13 0.00 0.00 55.73 57.46 1dfh s ARG 193 Cb -0.13 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 1dfh s ARG 193 CO 0.02 -0.31 0.20 0.95 -0.81 0.00 0.00 175.30 175.36 1dfh s THR 194 N 1.02 0.05 -0.12 4.11 -4.23 -1.26 -5.03 115.64 110.19 1dfh s THR 194 Ca 0.60 -1.71 0.17 0.00 -1.18 0.00 0.00 61.69 59.58 1dfh s THR 194 Cb -0.32 -2.13 -0.18 0.00 1.34 0.00 0.00 72.50 71.22 1dfh s THR 194 CO 0.30 -0.23 0.66 0.18 -0.54 0.00 0.00 174.62 174.99 1dfh n LEU 195 N -0.22 0.64 0.00 4.79 7.99 -1.26 -4.90 117.00 124.03 1dfh n LEU 195 Ca -0.04 0.28 -0.16 0.00 -0.01 0.00 0.00 56.01 56.09 1dfh n LEU 195 Cb 0.64 0.14 0.15 0.00 -0.11 0.00 0.00 43.42 44.24 1dfh n LEU 195 CO 0.28 0.20 0.18 0.00 -1.51 0.00 0.00 177.39 176.53 1dfh n ALA 196 N -2.44 -2.69 -2.41 -1.18 0.00 -1.26 -4.99 120.51 105.54 1dfh n ALA 196 Ca -0.13 -0.78 -0.31 0.00 0.00 0.00 0.00 53.44 52.22 1dfh n ALA 196 Cb 0.87 -0.07 -0.14 0.00 0.00 0.00 0.00 19.45 20.11 1dfh n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dfh s ALA 197 N -2.06 2.45 0.03 0.00 0.00 -1.26 -5.12 121.76 115.81 1dfh s ALA 197 Ca 0.34 -1.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 1dfh s ALA 197 Cb -0.06 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1dfh s ALA 197 CO 0.29 0.55 0.23 0.45 0.00 0.00 0.00 175.76 177.28 1dfh s SER 198 N -1.16 6.41 0.04 0.00 0.15 -1.26 -4.98 113.70 112.90 1dfh s SER 198 Ca 0.13 0.40 0.26 0.00 0.70 0.00 0.00 55.95 57.44 1dfh s SER 198 Cb -0.10 -2.02 0.76 0.00 -1.71 0.00 0.00 66.02 62.95 1dfh s SER 198 CO 0.03 0.21 1.61 0.61 1.20 0.00 0.00 173.24 176.90 1dfh n GLY 199 N 0.71 -1.41 3.58 9.45 0.00 -1.26 -4.72 105.19 111.54 1dfh n GLY 199 Ca -0.08 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1dfh n GLY 199 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dfh s ILE 200 N -3.04 4.63 0.10 -0.61 1.01 -1.26 -4.82 121.20 117.21 1dfh s ILE 200 Ca 0.11 0.93 -0.36 0.00 0.00 0.00 0.00 60.65 61.33 1dfh s ILE 200 Cb 0.17 -4.30 -0.17 0.00 0.01 0.00 0.00 42.46 38.17 1dfh s ILE 200 CO 0.64 -0.56 1.23 1.17 0.00 0.00 0.00 174.94 177.41 1dfh n LYS 201 N 6.69 0.93 -2.19 2.79 3.00 -1.11 -1.95 118.16 126.33 1dfh n LYS 201 Ca 0.05 0.33 -0.18 0.00 -0.00 0.00 0.00 58.31 58.52 1dfh n LYS 201 Cb 0.48 -1.90 -0.02 0.00 0.00 0.00 0.00 35.03 33.59 1dfh n LYS 201 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1dfh n ASP 202 N 2.21 -5.15 -0.33 3.14 8.00 -1.26 -4.86 116.55 118.31 1dfh n ASP 202 Ca 0.18 0.06 0.02 0.00 0.71 0.00 0.00 54.79 55.77 1dfh n ASP 202 Cb 0.19 -4.22 0.17 0.00 -0.02 0.00 0.00 41.12 37.23 1dfh n ASP 202 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1dfh h PHE 203 N 0.00 1.03 -0.88 1.24 3.57 -1.76 -2.07 116.94 118.07 1dfh h PHE 203 Ca -0.41 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.20 1dfh h PHE 203 Cb 1.28 -0.33 -0.07 0.00 2.79 0.00 0.00 35.95 39.62 1dfh h PHE 203 CO 0.47 0.49 0.54 0.00 -2.23 0.00 0.00 178.31 177.59 1dfh h ARG 204 N 0.99 0.93 -0.24 1.11 3.08 -1.91 -0.82 114.38 117.53 1dfh h ARG 204 Ca 0.41 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.39 1dfh h ARG 204 Cb 0.25 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1dfh h ARG 204 CO -0.20 0.62 0.08 0.87 -1.07 0.00 0.00 179.97 180.27 1dfh h LYS 205 N 0.96 0.37 -0.95 0.04 1.57 -1.79 -2.23 116.57 114.54 1dfh h LYS 205 Ca 0.40 -0.08 0.09 0.00 -1.87 0.00 0.00 60.65 59.20 1dfh h LYS 205 Cb 0.24 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 1dfh h LYS 205 CO -0.20 0.44 0.59 1.98 -0.57 0.00 0.00 179.45 181.69 1dfh h MET 206 N 0.23 0.97 0.09 3.15 4.05 -0.79 -1.52 114.93 121.12 1dfh h MET 206 Ca 0.08 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1dfh h MET 206 Cb 0.21 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1dfh h MET 206 CO -0.00 0.64 -0.04 -0.07 0.23 0.00 0.00 176.91 177.67 1dfh h LEU 207 N 1.00 -0.11 -0.78 3.39 3.38 -0.83 -1.73 115.31 119.63 1dfh h LEU 207 Ca 0.45 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.47 1dfh h LEU 207 Cb 0.34 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 1dfh h LEU 207 CO -0.23 -0.04 0.44 0.00 0.09 0.00 0.00 178.44 178.71 1dfh h ALA 208 N 0.74 1.09 0.05 1.53 0.00 -0.77 -0.85 119.26 121.05 1dfh h ALA 208 Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dfh h ALA 208 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1dfh h ALA 208 CO 0.02 0.09 -0.03 1.25 0.00 0.00 0.00 179.25 180.58 1dfh h HIS 209 N 0.76 -0.07 -0.39 0.00 -0.00 -1.15 -3.00 115.15 111.30 1dfh h HIS 209 Ca 0.37 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.80 1dfh h HIS 209 Cb 0.30 0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.67 1dfh h HIS 209 CO -0.07 0.26 0.01 0.00 -0.00 0.00 0.00 177.93 178.13 1dfh h GLU 211 N 0.11 0.55 -0.23 0.00 4.81 -1.17 0.25 114.58 118.91 1dfh h GLU 211 Ca 0.19 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.24 1dfh h GLU 211 Cb 0.26 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1dfh h GLU 211 CO -0.31 0.37 -0.44 0.00 -0.73 0.00 0.00 179.01 177.89 1dfh h ALA 212 N 1.67 0.37 -0.01 2.92 0.00 -1.01 -3.33 119.26 119.86 1dfh h ALA 212 Ca 0.57 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1dfh h ALA 212 Cb 0.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1dfh h ALA 212 CO -0.45 0.51 -0.35 1.33 0.00 0.00 0.00 179.25 180.29 1dfh n VAL 213 N -4.17 0.00 -2.12 0.00 0.24 -0.86 -4.91 118.33 106.50 1dfh n VAL 213 Ca -0.05 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 61.50 1dfh n VAL 213 Cb 0.56 1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 34.13 1dfh n VAL 213 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1dfh s THR 214 N -2.04 3.39 0.27 3.34 2.01 0.83 -4.88 115.64 118.56 1dfh s THR 214 Ca 0.16 0.87 -0.03 0.00 0.31 0.00 0.00 61.69 63.00 1dfh s THR 214 Cb 0.15 -3.56 0.31 0.00 0.01 0.00 0.00 72.50 69.40 1dfh s THR 214 CO 0.44 0.02 1.63 -0.65 -0.69 0.00 0.00 174.62 175.37 1dfh h PRO 215 N 7.64 0.12 0.00 4.92 0.11 -1.83 1.61 132.00 144.57 1dfh h PRO 215 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1dfh h PRO 215 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1dfh h PRO 215 CO 0.90 0.08 0.00 0.44 -0.21 0.00 0.00 178.00 179.21 1dfh n ILE 216 N -5.33 0.00 -3.33 4.15 -5.35 -1.16 -4.90 119.36 103.43 1dfh n ILE 216 Ca 0.17 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.41 1dfh n ILE 216 Cb 0.58 -0.29 0.04 0.00 -1.74 0.00 0.00 39.64 38.23 1dfh n ILE 216 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1dfh n ARG 217 N -0.79 -5.72 -3.51 6.28 5.12 0.55 -4.97 116.66 113.63 1dfh n ARG 217 Ca 0.14 0.80 -0.09 0.00 -1.93 0.00 0.00 57.85 56.77 1dfh n ARG 217 Cb 0.06 -5.71 -0.02 0.00 -1.16 0.00 0.00 32.46 25.63 1dfh n ARG 217 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1dfh s ARG 218 N -6.03 0.81 0.47 5.56 1.70 -1.25 -4.90 118.95 115.31 1dfh s ARG 218 Ca 0.44 -0.28 -0.10 0.00 -0.47 0.00 0.00 55.73 55.33 1dfh s ARG 218 Cb -0.20 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.50 1dfh s ARG 218 CO 0.55 -0.35 0.84 0.95 -1.08 0.00 0.00 175.30 176.21 1dfh s THR 219 N -3.02 4.78 0.51 4.99 -4.23 -1.26 -4.81 115.64 112.61 1dfh s THR 219 Ca 0.05 0.60 -0.09 0.00 -1.18 0.00 0.00 61.69 61.07 1dfh s THR 219 Cb -0.01 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.99 1dfh s THR 219 CO -0.08 -0.74 0.87 0.68 -0.54 0.00 0.00 174.62 174.81 1dfh s VAL 220 N -2.64 4.80 0.45 2.29 -7.23 -1.26 -5.01 120.40 111.80 1dfh s VAL 220 Ca 0.51 0.56 0.07 0.00 -1.81 0.00 0.00 61.98 61.32 1dfh s VAL 220 Cb -0.10 -3.83 -0.01 0.00 0.56 0.00 0.00 36.38 32.99 1dfh s VAL 220 CO 0.39 -0.87 0.38 0.42 -0.31 0.00 0.00 175.10 175.10 1dfh s THR 221 N -2.80 2.40 0.03 5.32 -4.23 -1.26 -4.52 115.64 110.58 1dfh s THR 221 Ca 0.51 -1.40 0.33 0.00 -1.18 0.00 0.00 61.69 59.95 1dfh s THR 221 Cb -0.10 -2.80 0.38 0.00 1.34 0.00 0.00 72.50 71.31 1dfh s THR 221 CO 0.44 0.00 1.95 0.16 -0.54 0.00 0.00 174.62 176.63 1dfh h ILE 222 N 0.99 0.00 -0.11 2.99 3.07 -1.95 -0.72 117.51 121.78 1dfh h ILE 222 Ca -0.40 -0.52 -0.14 0.00 1.55 0.00 0.00 64.86 65.35 1dfh h ILE 222 Cb 1.27 1.50 0.01 0.00 -0.27 0.00 0.00 36.82 39.33 1dfh h ILE 222 CO 0.58 0.00 -0.48 -0.33 -1.05 0.00 0.00 178.15 176.87 1dfh h GLU 223 N 0.00 0.52 -0.15 0.16 3.07 -1.94 0.36 114.58 116.59 1dfh h GLU 223 Ca 0.00 -0.41 0.05 0.00 -0.50 0.00 0.00 59.36 58.50 1dfh h GLU 223 Cb 0.53 0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.46 1dfh h GLU 223 CO 0.00 1.04 -0.24 -0.44 -1.40 0.00 0.00 179.01 177.97 1dfh h ASP 224 N 0.12 -0.75 -0.45 1.42 3.32 -1.70 0.28 116.42 118.65 1dfh h ASP 224 Ca -0.03 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1dfh h ASP 224 Cb 1.12 0.34 -0.02 0.00 0.22 0.00 0.00 39.33 40.99 1dfh h ASP 224 CO 0.10 -0.29 0.19 0.58 -1.72 0.00 0.00 179.24 178.10 1dfh h VAL 225 N -0.29 1.20 -0.54 -1.35 2.07 -1.11 -2.26 116.25 113.97 1dfh h VAL 225 Ca 0.11 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1dfh h VAL 225 Cb 0.46 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1dfh h VAL 225 CO -0.32 0.23 0.34 1.23 0.02 0.00 0.00 177.57 179.07 1dfh h GLY 226 N 0.58 0.76 0.98 2.17 0.00 0.37 0.94 103.07 108.88 1dfh h GLY 226 Ca 0.15 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1dfh h GLY 226 CO -0.01 0.24 0.27 3.43 0.00 0.00 0.00 176.54 180.48 1dfh h ASN 227 N 0.69 0.47 -0.69 0.19 2.35 -0.29 -0.34 115.58 117.96 1dfh h ASN 227 Ca 0.21 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 1dfh h ASN 227 Cb -0.04 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1dfh h ASN 227 CO -0.07 0.34 0.23 0.28 -1.65 0.00 0.00 177.43 176.56 1dfh h SER 228 N 0.56 0.99 -0.46 5.81 0.02 -0.96 -2.62 113.55 116.89 1dfh h SER 228 Ca 0.16 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1dfh h SER 228 Cb -0.05 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 1dfh h SER 228 CO -0.04 0.93 0.19 0.00 -1.14 0.00 0.00 176.83 176.76 1dfh h ALA 229 N 1.10 0.60 -0.64 3.77 0.00 -0.27 0.62 119.26 124.44 1dfh h ALA 229 Ca 0.22 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1dfh h ALA 229 Cb 0.28 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1dfh h ALA 229 CO -0.01 0.20 0.34 0.00 0.00 0.00 0.00 179.25 179.78 1dfh h ALA 230 N 1.04 0.85 -0.22 0.00 0.00 -0.94 0.26 119.26 120.26 1dfh h ALA 230 Ca 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1dfh h ALA 230 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1dfh h ALA 230 CO -0.01 -0.01 0.06 0.35 0.00 0.00 0.00 179.25 179.63 1dfh h PHE 231 N 0.62 0.36 0.00 0.00 3.57 -1.08 -2.24 116.94 118.16 1dfh h PHE 231 Ca 0.29 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1dfh h PHE 231 Cb 0.22 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1dfh h PHE 231 CO -0.09 0.45 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.30 1dfh h LEU 232 N 0.17 0.00 -1.34 0.59 3.38 -0.02 -1.35 115.31 116.74 1dfh h LEU 232 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1dfh h LEU 232 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1dfh h LEU 232 CO 0.00 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1dfh s SER 234 N -1.97 5.40 0.14 0.00 1.04 -0.51 -4.72 113.70 113.08 1dfh s SER 234 Ca 0.34 -0.55 0.19 0.00 0.48 0.00 0.00 55.95 56.41 1dfh s SER 234 Cb 0.21 -0.30 0.81 0.00 0.10 0.00 0.00 66.02 66.83 1dfh s SER 234 CO 0.32 -1.02 1.60 0.47 0.98 0.00 0.00 173.24 175.58 1dfh n ASP 235 N -2.05 0.36 0.26 7.02 8.00 -1.26 -2.17 116.55 126.71 1dfh n ASP 235 Ca 0.11 0.59 0.13 0.00 0.71 0.00 0.00 54.79 56.33 1dfh n ASP 235 Cb 0.60 -0.66 0.69 0.00 -0.02 0.00 0.00 41.12 41.72 1dfh n ASP 235 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1dfh h LEU 236 N 0.00 0.00 -3.52 0.64 4.07 -1.89 -2.73 115.31 111.88 1dfh h LEU 236 Ca 0.00 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.75 1dfh h LEU 236 Cb 0.31 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 41.92 1dfh h LEU 236 CO 0.00 0.13 0.13 -1.54 -1.08 0.00 0.00 178.44 176.08 1dfh n SER 237 N -3.49 3.39 -0.03 -0.43 3.41 -0.92 -4.73 113.62 110.81 1dfh n SER 237 Ca -0.01 -3.50 0.24 0.00 -0.26 0.00 0.00 58.87 55.33 1dfh n SER 237 Cb 0.28 -0.68 0.69 0.00 -0.26 0.00 0.00 64.21 64.24 1dfh n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dfh h ALA 238 N 1.44 2.43 -0.23 7.33 0.00 -1.63 0.11 119.26 128.70 1dfh h ALA 238 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1dfh h ALA 238 Cb 1.96 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1dfh h ALA 238 CO 0.55 -0.99 0.00 0.41 0.00 0.00 0.00 179.25 179.23 1dfh n GLY 239 N -1.58 0.75 3.36 0.00 0.00 -1.26 -4.85 105.19 101.62 1dfh n GLY 239 Ca 0.13 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1dfh n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dfh s ILE 240 N -1.71 3.77 -0.10 -0.61 1.01 0.37 -5.09 121.20 118.84 1dfh s ILE 240 Ca 0.34 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.46 1dfh s ILE 240 Cb 0.19 -2.75 0.03 0.00 0.01 0.00 0.00 42.46 39.94 1dfh s ILE 240 CO 0.28 0.37 0.37 -0.55 0.00 0.00 0.00 174.94 175.41 1dfh s SER 241 N 1.53 -0.35 -0.75 3.58 0.15 -1.26 -4.76 113.70 111.83 1dfh s SER 241 Ca 0.06 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1dfh s SER 241 Cb -0.15 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1dfh s SER 241 CO -0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1dfh n GLY 242 N 2.34 0.78 3.87 9.45 0.00 0.26 -4.94 105.19 116.93 1dfh n GLY 242 Ca -0.16 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 1dfh n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dfh s GLU 243 N -2.97 3.27 -0.39 1.61 2.56 -1.25 -4.66 118.70 116.87 1dfh s GLU 243 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.97 54.45 1dfh s GLU 243 Cb 0.00 -2.96 0.09 0.00 2.00 0.00 0.00 34.13 33.26 1dfh s GLU 243 CO 0.00 0.62 0.19 0.08 -0.56 0.00 0.00 175.26 175.59 1dfh s VAL 244 N -1.40 3.48 -0.15 3.70 1.01 -1.26 -0.34 120.40 125.44 1dfh s VAL 244 Ca 0.30 -1.78 -0.19 0.00 0.00 0.00 0.00 61.98 60.32 1dfh s VAL 244 Cb -0.13 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1dfh s VAL 244 CO 0.23 -0.55 0.51 -0.69 0.00 0.00 0.00 175.10 174.59 1dfh s VAL 245 N 1.23 5.14 -0.25 2.92 1.01 0.11 -4.83 120.40 125.72 1dfh s VAL 245 Ca 0.05 0.98 -0.22 0.00 0.00 0.00 0.00 61.98 62.78 1dfh s VAL 245 Cb -0.22 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1dfh s VAL 245 CO -0.02 0.25 0.72 -1.00 0.00 0.00 0.00 175.10 175.05 1dfh s HIS 246 N 1.11 3.29 -0.76 5.22 3.76 -1.26 0.09 115.29 126.73 1dfh s HIS 246 Ca 0.26 0.94 0.03 0.00 -0.15 0.00 0.00 55.06 56.14 1dfh s HIS 246 Cb -0.15 -2.96 0.22 0.00 1.11 0.00 0.00 32.58 30.80 1dfh s HIS 246 CO 0.10 -0.38 0.71 0.28 -0.85 0.00 0.00 174.74 174.61 1dfh n VAL 247 N 5.25 2.44 -2.05 -0.90 0.31 -0.27 -4.73 118.33 118.38 1dfh n VAL 247 Ca 0.02 -5.11 0.00 0.00 -0.01 0.00 0.00 64.34 59.24 1dfh n VAL 247 Cb 0.48 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 1dfh n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1dfh n ASP 248 N 1.65 0.10 -1.40 4.52 5.75 -1.26 -2.07 116.55 123.84 1dfh n ASP 248 Ca 0.24 -1.98 -0.15 0.00 -0.01 0.00 0.00 54.79 52.88 1dfh n ASP 248 Cb 0.37 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 40.21 1dfh n ASP 248 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dfh n GLY 249 N 0.05 0.83 1.67 6.12 0.00 -1.26 -2.70 105.19 109.90 1dfh n GLY 249 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1dfh n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dfh n GLY 250 N -1.07 0.78 0.28 -0.02 0.00 -1.26 -3.01 105.19 100.89 1dfh n GLY 250 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1dfh n GLY 250 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1dfh h PHE 251 N 0.00 -0.64 0.00 1.61 3.57 -1.86 -0.70 116.94 118.92 1dfh h PHE 251 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1dfh h PHE 251 Cb 0.00 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1dfh h PHE 251 CO 0.00 -0.32 0.00 -1.13 -2.23 0.00 0.00 178.31 174.63 1dfh n SER 252 N -5.38 0.37 -1.01 0.41 3.41 -1.26 -2.88 113.62 107.27 1dfh n SER 252 Ca 0.00 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 1dfh n SER 252 Cb 0.30 -0.71 0.19 0.00 -0.26 0.00 0.00 64.21 63.73 1dfh n SER 252 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1dfh n ILE 253 N -1.98 0.26 -4.24 -1.33 -6.64 -0.27 -4.92 119.36 100.23 1dfh n ILE 253 Ca -0.00 -0.60 -0.23 0.00 -1.77 0.00 0.00 62.75 60.15 1dfh n ILE 253 Cb 0.05 1.13 -0.06 0.00 -1.44 0.00 0.00 39.64 39.31 1dfh n ILE 253 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1dfh s ALA 254 N -1.74 3.28 -0.04 -1.28 0.00 -1.14 -5.13 121.76 115.71 1dfh s ALA 254 Ca 0.34 -1.57 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 1dfh s ALA 254 Cb 0.21 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1dfh s ALA 254 CO 0.31 0.27 0.15 0.00 0.00 0.00 0.00 175.76 176.49 1dfh s ALA 255 N -2.24 -0.35 -1.39 0.00 0.00 -1.26 -4.93 121.76 111.59 1dfh s ALA 255 Ca 0.32 0.27 -0.07 0.00 0.00 0.00 0.00 51.96 52.47 1dfh s ALA 255 Cb -0.07 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.93 1dfh s ALA 255 CO 0.21 -0.11 0.97 -1.33 0.00 0.00 0.00 175.76 175.50 1dfh n MET 256 N 2.58 -6.18 0.00 0.00 2.81 -1.26 -4.86 117.12 110.22 1dfh n MET 256 Ca -0.15 0.70 0.02 0.00 -1.81 0.00 0.00 57.70 56.45 1dfh n MET 256 Cb 0.58 -5.57 0.10 0.00 -0.71 0.00 0.00 33.22 27.62 1dfh n MET 256 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1dfh n ASN 257 N -2.98 0.00 0.00 7.83 3.02 -1.26 -5.21 115.26 116.66 1dfh n ASN 257 Ca -0.10 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 1dfh n ASN 257 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1dfh n ASN 257 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80