#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfj s ASN 2 N 0.00 3.21 0.43 6.12 0.02 -1.26 -0.73 114.94 122.72 1dfj s ASN 2 Ca 0.00 -0.81 -0.20 0.00 -1.02 0.00 0.00 52.86 50.82 1dfj s ASN 2 Cb 0.00 -1.12 -0.11 0.00 0.02 0.00 0.00 41.25 40.05 1dfj s ASN 2 CO 0.00 -0.16 0.94 -0.22 0.02 0.00 0.00 177.10 177.68 1dfj s LEU 3 N 1.48 3.93 -0.37 0.60 2.96 0.31 -4.99 118.68 122.60 1dfj s LEU 3 Ca -0.01 1.66 0.09 0.00 -0.22 0.00 0.00 54.13 55.66 1dfj s LEU 3 Cb -0.16 -4.51 0.37 0.00 0.50 0.00 0.00 46.19 42.39 1dfj s LEU 3 CO -0.08 -0.36 1.38 -0.67 -1.32 0.00 0.00 176.35 175.30 1dfj n ASP 4 N -0.66 -1.72 -4.72 3.68 -0.08 -1.26 -2.67 116.55 109.12 1dfj n ASP 4 Ca 0.07 -2.33 -0.42 0.00 -1.51 0.00 0.00 54.79 50.60 1dfj n ASP 4 Cb 0.54 0.92 -0.03 0.00 2.34 0.00 0.00 41.12 44.89 1dfj n ASP 4 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1dfj s ILE 5 N 0.17 3.48 -0.19 5.18 1.09 -1.25 -4.97 121.20 124.70 1dfj s ILE 5 Ca 0.17 1.09 -0.04 0.00 -1.10 0.00 0.00 60.65 60.78 1dfj s ILE 5 Cb 0.39 -3.70 0.10 0.00 -1.06 0.00 0.00 42.46 38.18 1dfj s ILE 5 CO -0.09 0.10 0.29 -1.38 -0.10 0.00 0.00 174.94 173.76 1dfj s HIS 6 N 0.86 -0.51 0.00 3.97 -3.43 -1.26 -3.25 115.29 111.67 1dfj s HIS 6 Ca 0.61 0.70 0.00 0.00 -0.80 0.00 0.00 55.06 55.57 1dfj s HIS 6 Cb -0.35 -0.11 0.00 0.00 -1.43 0.00 0.00 32.58 30.69 1dfj s HIS 6 CO 0.32 -0.55 0.00 0.00 -2.00 0.00 0.00 174.74 172.50 1dfj s GLU 8 N -0.08 4.13 -0.80 0.00 2.02 -1.26 -4.95 118.70 117.77 1dfj s GLU 8 Ca 0.00 0.14 -0.26 0.00 0.02 0.00 0.00 54.97 54.87 1dfj s GLU 8 Cb 0.00 -3.57 0.03 0.00 0.10 0.00 0.00 34.13 30.69 1dfj s GLU 8 CO 0.00 -0.10 1.34 -1.14 0.02 0.00 0.00 175.26 175.38 1dfj s GLN 9 N 1.50 3.25 0.04 1.61 0.74 -1.26 -3.83 119.66 121.71 1dfj s GLN 9 Ca 0.17 -0.40 -0.33 0.00 0.05 0.00 0.00 55.36 54.85 1dfj s GLN 9 Cb -0.15 -4.45 -0.12 0.00 1.10 0.00 0.00 33.01 29.40 1dfj s GLN 9 CO 0.08 -2.19 1.81 1.28 -0.55 0.00 0.00 175.29 175.72 1dfj n LEU 10 N 9.42 3.58 -4.77 3.68 4.77 -1.26 -4.80 117.00 127.62 1dfj n LEU 10 Ca 0.10 1.00 -0.36 0.00 -0.03 0.00 0.00 56.01 56.71 1dfj n LEU 10 Cb 0.50 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.13 1dfj n LEU 10 CO 0.70 -0.03 0.80 -0.94 -1.33 0.00 0.00 177.39 176.59 1dfj s SER 11 N 3.02 6.14 0.62 -1.43 1.04 -1.26 -4.74 113.70 117.09 1dfj s SER 11 Ca 0.86 2.23 0.34 0.00 0.48 0.00 0.00 55.95 59.87 1dfj s SER 11 Cb -0.61 -2.59 1.97 0.00 0.10 0.00 0.00 66.02 64.89 1dfj s SER 11 CO 0.44 -0.93 2.25 0.44 0.98 0.00 0.00 173.24 176.42 1dfj h ASP 12 N 1.89 0.00 0.16 7.02 5.19 -2.00 -0.44 116.42 128.25 1dfj h ASP 12 Ca -0.49 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 55.66 1dfj h ASP 12 Cb 1.25 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.78 1dfj h ASP 12 CO 0.60 0.00 -1.11 0.00 -3.12 0.00 0.00 179.24 175.61 1dfj h ALA 13 N 1.93 -0.09 -0.27 3.45 0.00 -1.99 -2.79 119.26 119.50 1dfj h ALA 13 Ca 0.01 -0.75 -0.08 0.00 0.00 0.00 0.00 54.91 54.09 1dfj h ALA 13 Cb 0.12 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1dfj h ALA 13 CO -0.00 0.54 -0.17 -0.09 0.00 0.00 0.00 179.25 179.53 1dfj h ARG 14 N -0.04 0.48 -0.63 0.00 9.65 -1.60 0.12 114.38 122.36 1dfj h ARG 14 Ca -0.18 -0.15 -0.08 0.00 -1.10 0.00 0.00 59.98 58.47 1dfj h ARG 14 Cb 1.85 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 30.36 1dfj h ARG 14 CO 0.21 0.64 0.08 2.35 2.80 0.00 0.00 179.97 186.04 1dfj h TRP 15 N 0.43 1.10 -0.06 2.20 2.91 -1.14 -0.27 115.95 121.12 1dfj h TRP 15 Ca 0.08 -0.15 -0.17 0.00 1.13 0.00 0.00 58.89 59.77 1dfj h TRP 15 Cb 0.55 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.89 1dfj h TRP 15 CO 0.02 0.94 -0.71 1.15 -1.03 0.00 0.00 178.44 178.81 1dfj h THR 16 N 0.97 1.41 -0.38 2.65 2.02 -1.18 -0.18 112.91 118.21 1dfj h THR 16 Ca 0.19 -2.17 -0.04 0.00 0.77 0.00 0.00 66.41 65.15 1dfj h THR 16 Cb 0.45 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 1dfj h THR 16 CO 0.01 0.65 0.06 -0.33 0.37 0.00 0.00 175.52 176.28 1dfj h GLU 17 N 0.20 0.63 0.05 6.66 5.08 -0.74 -3.26 114.58 123.21 1dfj h GLU 17 Ca -0.02 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1dfj h GLU 17 Cb 1.27 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1dfj h GLU 17 CO 0.11 0.69 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.70 1dfj h LEU 18 N 0.48 -0.12 -0.16 1.33 3.38 -0.80 -3.37 115.31 116.05 1dfj h LEU 18 Ca 0.12 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1dfj h LEU 18 Cb 0.36 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1dfj h LEU 18 CO 0.01 -0.07 -0.09 0.18 0.09 0.00 0.00 178.44 178.55 1dfj n LEU 19 N -5.15 -0.17 0.30 1.67 4.77 -0.10 0.08 117.00 118.40 1dfj n LEU 19 Ca -0.07 0.43 0.20 0.00 -0.03 0.00 0.00 56.01 56.54 1dfj n LEU 19 Cb 0.08 -0.11 1.06 0.00 -2.33 0.00 0.00 43.42 42.13 1dfj n LEU 19 CO 0.32 -0.30 1.11 1.55 -1.33 0.00 0.00 177.39 178.74 1dfj h PRO 20 N 0.00 0.00 0.00 3.23 0.13 -1.78 -1.30 132.00 132.28 1dfj h PRO 20 Ca 0.03 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.01 1dfj h PRO 20 Cb 0.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.17 1dfj h PRO 20 CO -0.15 0.00 -0.71 -0.07 -0.23 0.00 0.00 178.00 176.84 1dfj h LEU 21 N 0.00 0.00 -2.19 1.56 3.38 -0.59 -3.15 115.31 114.32 1dfj h LEU 21 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1dfj h LEU 21 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1dfj h LEU 21 CO 0.00 0.71 0.12 -0.07 0.09 0.00 0.00 178.44 179.28 1dfj h LEU 22 N 0.00 0.00 -0.17 1.67 3.38 -0.96 0.71 115.31 119.94 1dfj h LEU 22 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1dfj h LEU 22 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1dfj h LEU 22 CO 0.09 0.00 -0.11 0.00 0.09 0.00 0.00 178.44 178.51 1dfj n GLN 23 N -4.11 0.56 -0.03 1.13 6.02 -1.19 -4.03 117.38 115.72 1dfj n GLN 23 Ca 0.00 -0.17 -0.04 0.00 -0.01 0.00 0.00 57.00 56.78 1dfj n GLN 23 Cb 0.23 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.95 1dfj n GLN 23 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1dfj n GLN 24 N -1.07 1.95 -1.73 -1.09 6.02 0.20 -4.50 117.38 117.17 1dfj n GLN 24 Ca 0.13 0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.72 1dfj n GLN 24 Cb 0.28 -1.16 -0.01 0.00 1.02 0.00 0.00 30.24 30.37 1dfj n GLN 24 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1dfj n TYR 25 N -2.42 2.68 0.12 1.08 4.01 0.12 -4.83 117.16 117.93 1dfj n TYR 25 Ca -0.12 0.35 -0.19 0.00 -0.16 0.00 0.00 57.90 57.79 1dfj n TYR 25 Cb 0.68 -2.54 -0.15 0.00 -0.31 0.00 0.00 39.34 37.03 1dfj n TYR 25 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1dfj h GLU 26 N 4.12 0.35 -5.10 -0.72 5.08 -1.22 -3.32 114.58 113.78 1dfj h GLU 26 Ca -0.47 -0.60 -0.46 0.00 -1.00 0.00 0.00 59.36 56.83 1dfj h GLU 26 Cb 1.24 0.22 -0.29 0.00 0.50 0.00 0.00 28.75 30.43 1dfj h GLU 26 CO 0.74 1.28 -0.80 0.08 -1.00 0.00 0.00 179.01 179.31 1dfj s VAL 27 N -2.64 0.99 -0.03 3.13 1.01 -1.18 0.10 120.40 121.79 1dfj s VAL 27 Ca -0.06 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1dfj s VAL 27 Cb 0.06 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.63 1dfj s VAL 27 CO 0.90 0.28 -0.02 -0.69 0.00 0.00 0.00 175.10 175.57 1dfj s VAL 28 N -0.26 0.28 -0.45 2.92 1.01 -1.00 -0.53 120.40 122.37 1dfj s VAL 28 Ca 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1dfj s VAL 28 Cb -0.05 -0.33 0.22 0.00 0.00 0.00 0.00 36.38 36.21 1dfj s VAL 28 CO -0.00 0.15 0.48 0.54 0.00 0.00 0.00 175.10 176.26 1dfj n ARG 29 N 3.83 0.83 -1.43 2.72 1.74 -1.09 -1.73 116.66 121.53 1dfj n ARG 29 Ca -0.23 -3.48 -0.39 0.00 -0.77 0.00 0.00 57.85 52.98 1dfj n ARG 29 Cb 0.52 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 1dfj n ARG 29 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1dfj n LEU 30 N 1.89 8.61 -4.67 0.55 4.77 -0.34 -3.89 117.00 123.92 1dfj n LEU 30 Ca 0.25 -4.44 -0.43 0.00 -0.03 0.00 0.00 56.01 51.36 1dfj n LEU 30 Cb 0.48 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.03 1dfj n LEU 30 CO 0.18 2.07 1.04 -0.62 -1.33 0.00 0.00 177.39 178.73 1dfj s ASP 31 N 1.85 6.97 -1.38 -1.43 2.15 -1.20 -4.18 116.67 119.45 1dfj s ASP 31 Ca 0.67 1.80 -0.07 0.00 0.43 0.00 0.00 52.55 55.38 1dfj s ASP 31 Cb 0.18 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.29 1dfj s ASP 31 CO -0.07 -0.69 0.96 -0.67 -0.17 0.00 0.00 175.17 174.54 1dfj n ASP 32 N 5.94 -3.81 -3.06 -0.34 2.03 0.29 -2.08 116.55 115.52 1dfj n ASP 32 Ca 0.13 -0.71 -0.07 0.00 0.52 0.00 0.00 54.79 54.66 1dfj n ASP 32 Cb 0.45 -4.41 0.02 0.00 -0.72 0.00 0.00 41.12 36.47 1dfj n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dfj n GLY 34 N 2.45 -0.02 3.57 0.00 0.00 -1.25 -4.88 105.19 105.05 1dfj n GLY 34 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 1dfj n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dfj n LEU 35 N -0.24 1.41 0.00 0.99 4.32 -1.26 -4.96 117.00 117.26 1dfj n LEU 35 Ca 0.00 1.17 0.00 0.00 -0.02 0.00 0.00 56.01 57.16 1dfj n LEU 35 Cb 0.06 -1.25 0.00 0.00 -1.62 0.00 0.00 43.42 40.62 1dfj n LEU 35 CO 0.00 -1.61 0.00 0.35 -1.22 0.00 0.00 177.39 174.91 1dfj n THR 36 N 0.18 0.00 -0.12 -5.08 -2.24 -1.26 -3.70 114.28 102.05 1dfj n THR 36 Ca 0.11 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.94 1dfj n THR 36 Cb 0.31 0.00 0.37 0.00 -2.10 0.00 0.00 70.33 68.91 1dfj n THR 36 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1dfj h GLU 37 N 0.00 0.70 0.10 -0.78 4.81 -1.78 -1.46 114.58 116.17 1dfj h GLU 37 Ca 0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1dfj h GLU 37 Cb 0.00 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1dfj h GLU 37 CO 0.00 0.46 -0.07 0.93 -0.73 0.00 0.00 179.01 179.60 1dfj h GLU 38 N 0.72 -0.18 -0.51 1.92 3.07 -1.96 -2.12 114.58 115.52 1dfj h GLU 38 Ca 0.25 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.08 1dfj h GLU 38 Cb 0.11 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1dfj h GLU 38 CO -0.07 -0.12 0.13 0.45 -1.40 0.00 0.00 179.01 178.00 1dfj h HIS 39 N -0.18 0.79 -0.14 4.33 3.86 -1.82 -2.42 115.15 119.57 1dfj h HIS 39 Ca -0.00 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1dfj h HIS 39 Cb 0.16 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1dfj h HIS 39 CO -0.09 0.66 0.10 0.00 0.86 0.00 0.00 177.93 179.46 1dfj h LYS 41 N 0.00 0.19 -0.27 0.00 1.57 -0.90 0.14 116.57 117.30 1dfj h LYS 41 Ca 0.07 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.64 1dfj h LYS 41 Cb 0.27 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1dfj h LYS 41 CO -0.00 0.25 -0.53 -0.44 -0.57 0.00 0.00 179.45 178.17 1dfj h ASP 42 N 0.08 0.88 -0.13 0.86 3.32 -1.44 -2.03 116.42 117.96 1dfj h ASP 42 Ca 0.04 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1dfj h ASP 42 Cb 0.13 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1dfj h ASP 42 CO -0.01 1.24 0.08 0.40 -1.72 0.00 0.00 179.24 179.23 1dfj h ILE 43 N 0.62 1.05 0.09 0.35 2.04 -0.82 0.36 117.51 121.20 1dfj h ILE 43 Ca 0.02 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1dfj h ILE 43 Cb 1.11 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 1dfj h ILE 43 CO 0.11 0.05 -0.35 1.23 0.00 0.00 0.00 178.15 179.19 1dfj h GLY 44 N 0.16 -0.67 0.37 5.37 0.00 -0.44 0.66 103.07 108.52 1dfj h GLY 44 Ca 0.05 0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.84 1dfj h GLY 44 CO -0.01 -0.25 -0.23 1.48 0.00 0.00 0.00 176.54 177.53 1dfj h SER 45 N -0.57 -0.69 0.27 0.19 4.64 -1.28 0.47 113.55 116.60 1dfj h SER 45 Ca 0.04 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1dfj h SER 45 Cb 0.61 0.30 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1dfj h SER 45 CO -0.22 -0.28 -0.05 0.00 -0.87 0.00 0.00 176.83 175.40 1dfj h ALA 46 N 0.63 1.23 -0.17 5.18 0.00 -0.30 -2.55 119.26 123.27 1dfj h ALA 46 Ca 0.09 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1dfj h ALA 46 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1dfj h ALA 46 CO -0.27 0.06 -0.68 -0.07 0.00 0.00 0.00 179.25 178.30 1dfj h LEU 47 N 0.00 0.79 -0.68 0.00 3.38 0.26 -3.17 115.31 115.89 1dfj h LEU 47 Ca -0.00 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1dfj h LEU 47 Cb 0.20 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1dfj h LEU 47 CO 0.01 1.25 0.00 0.08 0.09 0.00 0.00 178.44 179.87 1dfj h ARG 48 N 0.49 0.00 -0.22 1.13 0.11 -0.98 -3.11 114.38 111.81 1dfj h ARG 48 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1dfj h ARG 48 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1dfj h ARG 48 CO 0.13 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.20 1dfj n ALA 49 N -1.84 2.34 -2.47 0.08 0.00 -1.21 -4.76 120.51 112.64 1dfj n ALA 49 Ca 0.02 -0.89 -0.43 0.00 0.00 0.00 0.00 53.44 52.14 1dfj n ALA 49 Cb 0.29 -0.48 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 1dfj n ALA 49 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1dfj s ASN 50 N -1.04 6.15 0.00 0.00 3.84 -1.18 -4.93 114.94 117.78 1dfj s ASN 50 Ca 0.21 -0.80 0.29 0.00 0.21 0.00 0.00 52.86 52.77 1dfj s ASN 50 Cb 0.13 -2.19 1.22 0.00 -0.55 0.00 0.00 41.25 39.86 1dfj s ASN 50 CO 0.17 -0.51 1.88 -0.81 -2.79 0.00 0.00 177.10 175.04 1dfj n PRO 51 N 5.36 0.28 -0.01 0.43 -0.04 -1.26 -4.23 135.00 135.54 1dfj n PRO 51 Ca -0.09 -0.05 0.03 0.00 -0.04 0.00 0.00 63.50 63.34 1dfj n PRO 51 Cb 0.47 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 1dfj n PRO 51 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1dfj n SER 52 N -1.31 3.33 -4.57 3.54 3.41 -1.26 -4.73 113.62 112.03 1dfj n SER 52 Ca 0.11 0.00 -0.48 0.00 -0.26 0.00 0.00 58.87 58.23 1dfj n SER 52 Cb 0.30 1.29 -0.04 0.00 -0.26 0.00 0.00 64.21 65.50 1dfj n SER 52 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1dfj n LEU 53 N -1.79 1.40 0.00 1.04 7.94 -1.25 -4.75 117.00 119.59 1dfj n LEU 53 Ca -0.02 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1dfj n LEU 53 Cb 0.22 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 42.97 1dfj n LEU 53 CO 0.15 -1.42 0.11 0.35 -1.11 0.00 0.00 177.39 175.47 1dfj n THR 54 N 1.19 0.00 -3.66 1.96 -2.24 0.11 -3.64 114.28 108.00 1dfj n THR 54 Ca 0.14 -0.24 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 1dfj n THR 54 Cb 0.26 1.48 -0.08 0.00 -2.10 0.00 0.00 70.33 69.89 1dfj n THR 54 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1dfj s GLU 55 N -0.04 0.58 -0.07 -0.78 2.12 -1.22 -1.54 118.70 117.75 1dfj s GLU 55 Ca 0.00 1.15 0.04 0.00 0.36 0.00 0.00 54.97 56.52 1dfj s GLU 55 Cb 0.00 0.25 -0.00 0.00 0.26 0.00 0.00 34.13 34.64 1dfj s GLU 55 CO 0.00 -0.17 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.18 1dfj s LEU 56 N 1.90 1.96 -0.29 2.70 2.96 -0.76 -2.39 118.68 124.77 1dfj s LEU 56 Ca -0.08 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1dfj s LEU 56 Cb -0.08 -1.18 0.10 0.00 0.50 0.00 0.00 46.19 45.53 1dfj s LEU 56 CO -0.17 0.16 0.12 0.00 -1.32 0.00 0.00 176.35 175.14 1dfj n LEU 58 N 5.16 7.11 -4.73 0.00 4.77 -0.95 -1.19 117.00 127.16 1dfj n LEU 58 Ca -0.05 -4.79 -0.35 0.00 -0.03 0.00 0.00 56.01 50.79 1dfj n LEU 58 Cb 0.42 -0.95 0.08 0.00 -2.33 0.00 0.00 43.42 40.64 1dfj n LEU 58 CO 0.06 1.78 0.82 -0.60 -1.33 0.00 0.00 177.39 178.12 1dfj s ARG 59 N -3.95 2.35 -0.91 3.23 3.52 -1.26 -4.12 118.95 117.82 1dfj s ARG 59 Ca 0.54 1.80 -0.21 0.00 -0.13 0.00 0.00 55.73 57.72 1dfj s ARG 59 Cb 0.45 -1.85 0.03 0.00 -1.56 0.00 0.00 34.95 32.01 1dfj s ARG 59 CO -0.30 -1.68 0.53 2.41 -0.81 0.00 0.00 175.30 175.45 1dfj n THR 60 N -2.42 -2.24 -3.82 4.11 -1.04 -0.75 -0.55 114.28 107.57 1dfj n THR 60 Ca 0.14 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.05 61.66 1dfj n THR 60 Cb 0.50 -1.94 -0.14 0.00 -1.82 0.00 0.00 70.33 66.93 1dfj n THR 60 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1dfj s ASN 61 N -3.54 -0.03 -0.01 8.00 0.02 -1.19 -2.93 114.94 115.27 1dfj s ASN 61 Ca 0.30 0.11 -0.05 0.00 -1.02 0.00 0.00 52.86 52.20 1dfj s ASN 61 Cb -0.17 0.06 -0.22 0.00 0.02 0.00 0.00 41.25 40.94 1dfj s ASN 61 CO 0.78 -0.06 3.10 1.21 0.02 0.00 0.00 177.10 182.15 1dfj n GLU 62 N 3.52 1.67 -0.28 -0.60 2.13 -1.24 -4.13 120.64 121.71 1dfj n GLU 62 Ca -0.18 -0.84 0.07 0.00 0.66 0.00 0.00 57.16 56.87 1dfj n GLU 62 Cb 0.56 -1.92 0.22 0.00 0.27 0.00 0.00 31.44 30.57 1dfj n GLU 62 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1dfj h LEU 63 N 5.18 0.37 0.00 4.31 3.38 -1.75 -3.40 115.31 123.39 1dfj h LEU 63 Ca 0.16 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1dfj h LEU 63 Cb 1.26 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1dfj h LEU 63 CO 0.28 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1dfj n GLY 64 N -1.33 -1.24 0.30 0.83 0.00 -0.72 -2.82 105.19 100.21 1dfj n GLY 64 Ca 0.17 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 1dfj n GLY 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dfj h ASP 65 N 0.00 0.97 0.20 1.61 3.32 -1.86 -1.86 116.42 118.80 1dfj h ASP 65 Ca 0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1dfj h ASP 65 Cb 0.00 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1dfj h ASP 65 CO 0.00 1.06 -0.10 0.00 -1.72 0.00 0.00 179.24 178.48 1dfj h ALA 66 N 1.03 -0.27 -0.25 3.45 0.00 -1.96 -2.95 119.26 118.30 1dfj h ALA 66 Ca 0.15 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1dfj h ALA 66 Cb 0.61 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1dfj h ALA 66 CO 0.04 -0.35 0.17 0.78 0.00 0.00 0.00 179.25 179.89 1dfj h GLY 67 N -0.88 0.16 1.25 0.00 0.00 -1.58 -1.66 103.07 100.36 1dfj h GLY 67 Ca -0.03 -0.05 -0.26 0.00 0.00 0.00 0.00 47.33 46.98 1dfj h GLY 67 CO 0.05 0.04 -1.04 -2.08 0.00 0.00 0.00 176.54 173.51 1dfj h VAL 68 N 0.14 1.29 -0.53 4.60 2.07 -1.43 -2.74 116.25 119.65 1dfj h VAL 68 Ca 0.11 -2.28 0.10 0.00 0.82 0.00 0.00 66.70 65.45 1dfj h VAL 68 Cb 0.28 2.39 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 1dfj h VAL 68 CO -0.02 0.70 0.09 -0.74 0.02 0.00 0.00 177.57 177.62 1dfj h HIS 69 N 0.37 0.13 0.05 1.57 6.17 -1.12 -0.30 115.15 122.02 1dfj h HIS 69 Ca -0.13 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 60.98 1dfj h HIS 69 Cb 1.69 0.02 0.00 0.00 2.52 0.00 0.00 27.41 31.64 1dfj h HIS 69 CO 0.10 -0.04 -0.02 -0.07 0.71 0.00 0.00 177.93 178.61 1dfj h LEU 70 N 0.22 -0.06 -1.00 0.26 3.38 -1.53 -2.40 115.31 114.19 1dfj h LEU 70 Ca 0.27 -0.34 0.19 0.00 0.09 0.00 0.00 57.88 58.09 1dfj h LEU 70 Cb 0.39 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 1dfj h LEU 70 CO -0.37 0.32 0.60 0.58 0.09 0.00 0.00 178.44 179.66 1dfj h VAL 71 N -0.44 0.69 0.01 1.22 2.07 -1.14 0.29 116.25 118.95 1dfj h VAL 71 Ca -0.01 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1dfj h VAL 71 Cb 0.40 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1dfj h VAL 71 CO 0.01 0.14 -0.01 -0.07 0.02 0.00 0.00 177.57 177.66 1dfj h LEU 72 N 0.74 -0.02 -2.11 2.57 3.38 -0.99 -1.68 115.31 117.21 1dfj h LEU 72 Ca 0.58 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1dfj h LEU 72 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1dfj h LEU 72 CO -0.39 0.06 0.05 1.56 0.09 0.00 0.00 178.44 179.81 1dfj h GLN 73 N -0.09 0.00 -0.18 1.13 4.20 -0.43 0.20 115.11 119.94 1dfj h GLN 73 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 1dfj h GLN 73 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1dfj h GLN 73 CO 0.00 0.00 -0.49 0.78 -0.67 0.00 0.00 178.83 178.45 1dfj h GLY 74 N 0.00 0.72 2.00 3.46 0.00 -0.69 -2.95 103.07 105.62 1dfj h GLY 74 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1dfj h GLY 74 CO 0.00 0.81 0.00 1.41 0.00 0.00 0.00 176.54 178.76 1dfj h LEU 75 N 0.34 0.00 -6.67 3.11 3.38 -0.53 -2.88 115.31 112.06 1dfj h LEU 75 Ca -0.01 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.24 1dfj h LEU 75 Cb 1.11 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 1dfj h LEU 75 CO 0.11 0.00 2.52 0.00 0.09 0.00 0.00 178.44 181.16 1dfj n GLN 76 N -2.88 3.15 -3.62 1.13 6.02 -0.95 -4.63 117.38 115.59 1dfj n GLN 76 Ca 0.01 -3.07 -0.16 0.00 -0.01 0.00 0.00 57.00 53.77 1dfj n GLN 76 Cb 0.27 -3.23 -0.07 0.00 1.02 0.00 0.00 30.24 28.23 1dfj n GLN 76 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1dfj s SER 77 N 2.88 -0.46 0.32 1.08 1.04 -1.26 -4.98 113.70 112.32 1dfj s SER 77 Ca 0.47 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.35 1dfj s SER 77 Cb 0.09 0.45 0.53 0.00 0.10 0.00 0.00 66.02 67.19 1dfj s SER 77 CO -0.02 -0.54 1.97 -0.65 0.98 0.00 0.00 173.24 174.98 1dfj h PRO 78 N 3.39 0.93 -0.94 4.02 0.11 -1.92 -2.57 132.00 135.02 1dfj h PRO 78 Ca -0.28 -0.07 0.15 0.00 0.11 0.00 0.00 66.00 65.90 1dfj h PRO 78 Cb 1.16 -0.20 -0.09 0.00 0.11 0.00 0.00 31.00 31.97 1dfj h PRO 78 CO 0.39 0.65 0.55 1.79 -0.21 0.00 0.00 178.00 181.17 1dfj h THR 79 N 0.95 0.79 -2.17 -1.15 1.35 -1.93 -3.41 112.91 107.34 1dfj h THR 79 Ca 0.25 -0.27 -0.53 0.00 -0.55 0.00 0.00 66.41 65.31 1dfj h THR 79 Cb -0.05 -0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 66.28 1dfj h THR 79 CO -0.05 0.14 1.40 0.00 -0.25 0.00 0.00 175.52 176.76 1dfj n LYS 81 N 8.81 2.50 -1.13 0.00 2.85 -1.26 -4.89 118.16 125.04 1dfj n LYS 81 Ca 0.26 -3.46 -0.35 0.00 -1.05 0.00 0.00 58.31 53.71 1dfj n LYS 81 Cb 0.50 -2.06 0.09 0.00 -0.65 0.00 0.00 35.03 32.91 1dfj n LYS 81 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 1dfj n ILE 82 N -0.98 1.42 0.00 0.58 3.06 -1.24 -4.79 119.36 117.41 1dfj n ILE 82 Ca 0.44 -0.33 0.00 0.00 -2.50 0.00 0.00 62.75 60.37 1dfj n ILE 82 Cb 0.99 -0.77 0.00 0.00 0.54 0.00 0.00 39.64 40.40 1dfj n ILE 82 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1dfj n GLN 83 N -1.28 3.69 -3.99 9.51 6.02 -0.59 -2.86 117.38 127.88 1dfj n GLN 83 Ca 0.10 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.92 1dfj n GLN 83 Cb 0.51 -0.67 -0.16 0.00 1.02 0.00 0.00 30.24 30.94 1dfj n GLN 83 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1dfj s LYS 84 N -0.74 0.37 -0.03 -1.09 1.02 -0.78 -1.22 119.74 117.27 1dfj s LYS 84 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.99 1dfj s LYS 84 Cb 0.00 -0.48 0.03 0.00 -0.52 0.00 0.00 37.83 36.86 1dfj s LYS 84 CO 0.00 -0.08 0.05 -1.17 -0.92 0.00 0.00 175.35 173.23 1dfj s LEU 85 N 0.76 1.07 -0.00 3.17 2.96 -0.74 -1.82 118.68 124.09 1dfj s LEU 85 Ca -0.08 0.10 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 1dfj s LEU 85 Cb -0.11 0.04 -0.01 0.00 0.50 0.00 0.00 46.19 46.60 1dfj s LEU 85 CO -0.01 -0.12 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.20 1dfj s SER 86 N 1.00 1.72 -0.33 3.68 0.15 -0.70 -2.37 113.70 116.85 1dfj s SER 86 Ca -0.08 -0.30 0.16 0.00 0.70 0.00 0.00 55.95 56.42 1dfj s SER 86 Cb -0.12 -0.18 0.44 0.00 -1.71 0.00 0.00 66.02 64.46 1dfj s SER 86 CO -0.03 0.15 1.21 0.18 1.20 0.00 0.00 173.24 175.95 1dfj n LEU 87 N 2.55 0.02 -4.77 3.45 4.77 -0.81 -2.24 117.00 119.97 1dfj n LEU 87 Ca -0.15 -3.40 -0.41 0.00 -0.03 0.00 0.00 56.01 52.02 1dfj n LEU 87 Cb 0.55 0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.90 1dfj n LEU 87 CO 0.24 1.57 1.12 -1.58 -1.33 0.00 0.00 177.39 177.41 1dfj s GLN 88 N -1.77 4.17 -1.61 3.23 0.74 -1.24 -3.06 119.66 120.12 1dfj s GLN 88 Ca 0.22 2.48 -0.17 0.00 0.05 0.00 0.00 55.36 57.95 1dfj s GLN 88 Cb 0.41 -3.01 0.14 0.00 1.10 0.00 0.00 33.01 31.65 1dfj s GLN 88 CO -0.04 -0.47 0.77 -1.71 -0.55 0.00 0.00 175.29 173.29 1dfj n ASN 89 N 0.92 -3.60 -1.43 6.67 2.85 -0.90 -1.81 115.26 117.96 1dfj n ASN 89 Ca 0.02 -0.88 0.07 0.00 -0.11 0.00 0.00 54.58 53.68 1dfj n ASN 89 Cb 0.40 -2.93 0.30 0.00 1.24 0.00 0.00 39.78 38.78 1dfj n ASN 89 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1dfj n SER 91 N 0.72 -5.57 -4.63 0.00 7.64 -1.26 -1.75 113.62 108.78 1dfj n SER 91 Ca 0.21 -0.32 -0.41 0.00 1.01 0.00 0.00 58.87 59.36 1dfj n SER 91 Cb 0.83 -4.51 -0.05 0.00 -1.01 0.00 0.00 64.21 59.47 1dfj n SER 91 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1dfj s LEU 92 N -6.66 4.08 0.53 -3.43 2.96 -1.26 -4.07 118.68 110.82 1dfj s LEU 92 Ca 0.33 0.83 0.07 0.00 -0.22 0.00 0.00 54.13 55.14 1dfj s LEU 92 Cb -0.16 -3.04 0.05 0.00 0.50 0.00 0.00 46.19 43.55 1dfj s LEU 92 CO 0.41 -0.49 0.73 -0.89 -1.32 0.00 0.00 176.35 174.79 1dfj s THR 93 N 2.75 2.54 -2.00 3.68 2.01 -1.26 -3.41 115.64 119.95 1dfj s THR 93 Ca 0.31 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.44 1dfj s THR 93 Cb -0.15 -2.64 0.09 0.00 0.01 0.00 0.00 72.50 69.81 1dfj s THR 93 CO 0.09 0.00 0.56 -1.84 -0.69 0.00 0.00 174.62 172.74 1dfj n GLU 94 N -2.18 0.14 -0.08 4.92 0.00 -1.24 -2.04 120.64 120.17 1dfj n GLU 94 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.17 1dfj n GLU 94 Cb 0.60 -1.35 -0.05 0.00 0.00 0.00 0.00 31.44 30.64 1dfj n GLU 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1dfj h ALA 95 N 1.98 0.10 0.00 -1.84 0.00 -1.92 -3.38 119.26 114.20 1dfj h ALA 95 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1dfj h ALA 95 Cb 0.00 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1dfj h ALA 95 CO 0.00 0.53 0.00 0.78 0.00 0.00 0.00 179.25 180.56 1dfj h GLY 96 N -1.00 0.00 1.16 0.00 0.00 -1.69 -2.06 103.07 99.48 1dfj h GLY 96 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1dfj h GLY 96 CO -0.08 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.46 1dfj h GLY 98 N 1.06 0.23 0.63 0.00 0.00 -1.62 -2.95 103.07 100.42 1dfj h GLY 98 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1dfj h GLY 98 CO 0.00 0.08 -0.35 3.33 0.00 0.00 0.00 176.54 179.60 1dfj n VAL 99 N -4.51 0.00 -0.27 4.60 0.24 -1.19 -4.38 118.33 112.82 1dfj n VAL 99 Ca -0.00 -0.07 0.06 0.00 -2.04 0.00 0.00 64.34 62.29 1dfj n VAL 99 Cb 0.09 0.29 0.20 0.00 -1.47 0.00 0.00 33.84 32.96 1dfj n VAL 99 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1dfj h LEU 100 N 0.62 0.34 0.08 1.34 3.38 -1.76 -1.02 115.31 118.30 1dfj h LEU 100 Ca 0.00 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dfj h LEU 100 Cb 0.50 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1dfj h LEU 100 CO 0.00 0.13 -0.04 -0.65 0.09 0.00 0.00 178.44 177.97 1dfj h PRO 101 N 0.49 -0.11 -0.86 1.13 0.11 -1.76 0.55 132.00 131.54 1dfj h PRO 101 Ca 0.43 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.58 1dfj h PRO 101 Cb 0.65 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.74 1dfj h PRO 101 CO -0.40 0.02 0.56 0.77 -0.21 0.00 0.00 178.00 178.74 1dfj h SER 102 N -0.22 0.92 -0.11 -2.05 0.02 -1.78 -2.85 113.55 107.49 1dfj h SER 102 Ca -0.01 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1dfj h SER 102 Cb 0.18 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1dfj h SER 102 CO 0.02 0.64 -0.01 0.74 -1.14 0.00 0.00 176.83 177.08 1dfj h THR 103 N 1.08 1.27 0.00 -2.27 2.02 -1.08 -3.15 112.91 110.78 1dfj h THR 103 Ca 0.34 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1dfj h THR 103 Cb 0.00 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1dfj h THR 103 CO -0.12 0.25 0.00 -0.07 0.37 0.00 0.00 175.52 175.95 1dfj h LEU 104 N -0.08 0.00 0.04 2.58 3.38 -0.82 -3.02 115.31 117.40 1dfj h LEU 104 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1dfj h LEU 104 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1dfj h LEU 104 CO 0.01 0.00 -0.02 -0.09 0.09 0.00 0.00 178.44 178.43 1dfj h ARG 105 N 0.00 -0.06 0.00 1.13 2.43 -1.47 -3.25 114.38 113.17 1dfj h ARG 105 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1dfj h ARG 105 Cb 0.47 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1dfj h ARG 105 CO 0.00 0.18 -0.25 0.66 -1.51 0.00 0.00 179.97 179.05 1dfj h SER 106 N -0.29 0.00 -2.67 -3.80 4.64 -1.52 -3.40 113.55 106.50 1dfj h SER 106 Ca -0.01 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 60.53 1dfj h SER 106 Cb 0.26 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.06 1dfj h SER 106 CO 0.01 0.25 0.70 0.18 -0.87 0.00 0.00 176.83 177.10 1dfj n LEU 107 N -3.28 6.41 -0.01 5.97 4.77 -1.15 -4.79 117.00 124.91 1dfj n LEU 107 Ca 0.01 -5.29 0.00 0.00 -0.03 0.00 0.00 56.01 50.70 1dfj n LEU 107 Cb 0.51 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1dfj n LEU 107 CO 0.35 1.83 0.34 -0.81 -1.33 0.00 0.00 177.39 177.77 1dfj n PRO 108 N 0.89 0.69 -0.07 3.23 -0.04 -1.23 -2.11 135.00 136.35 1dfj n PRO 108 Ca 0.32 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.66 1dfj n PRO 108 Cb 0.32 -1.01 -0.15 0.00 -0.04 0.00 0.00 33.50 32.63 1dfj n PRO 108 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1dfj n THR 109 N -0.49 1.50 -1.66 0.52 -2.24 -1.26 -4.74 114.28 105.91 1dfj n THR 109 Ca 0.00 -0.78 -0.46 0.00 -2.27 0.00 0.00 64.05 60.54 1dfj n THR 109 Cb 0.00 -0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 67.32 1dfj n THR 109 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1dfj n LEU 110 N -2.97 2.99 0.00 3.22 7.94 -0.90 -4.38 117.00 122.90 1dfj n LEU 110 Ca -0.30 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.72 1dfj n LEU 110 Cb 1.09 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.63 1dfj n LEU 110 CO 0.41 -0.47 -0.33 0.54 -1.11 0.00 0.00 177.39 176.43 1dfj n ARG 111 N 2.55 2.31 -4.54 1.96 1.74 -0.35 -4.29 116.66 116.03 1dfj n ARG 111 Ca 0.14 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.00 1dfj n ARG 111 Cb 0.30 -0.83 -0.16 0.00 -1.02 0.00 0.00 32.46 30.75 1dfj n ARG 111 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1dfj s GLU 112 N -1.49 1.25 -0.09 5.56 2.12 -0.81 -0.53 118.70 124.71 1dfj s GLU 112 Ca 0.00 -0.41 -0.04 0.00 0.36 0.00 0.00 54.97 54.89 1dfj s GLU 112 Cb 0.00 -1.13 0.05 0.00 0.26 0.00 0.00 34.13 33.31 1dfj s GLU 112 CO 0.00 0.15 0.19 -1.17 -0.54 0.00 0.00 175.26 173.89 1dfj s LEU 113 N 0.16 0.30 -0.20 2.70 2.96 -0.91 -1.78 118.68 121.90 1dfj s LEU 113 Ca -0.04 0.40 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 1dfj s LEU 113 Cb -0.10 0.47 0.03 0.00 0.50 0.00 0.00 46.19 47.09 1dfj s LEU 113 CO 0.01 -0.19 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.68 1dfj s HIS 114 N 1.67 2.88 0.00 5.38 3.76 -1.00 -1.91 115.29 126.08 1dfj s HIS 114 Ca -0.04 -1.82 0.00 0.00 -0.15 0.00 0.00 55.06 53.05 1dfj s HIS 114 Cb -0.12 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.67 1dfj s HIS 114 CO -0.07 -0.82 0.94 1.28 -0.85 0.00 0.00 174.74 175.22 1dfj n LEU 115 N 4.57 1.84 -4.45 0.89 4.77 -0.56 -1.92 117.00 122.14 1dfj n LEU 115 Ca -0.19 -1.84 -0.34 0.00 -0.03 0.00 0.00 56.01 53.61 1dfj n LEU 115 Cb 0.48 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.67 1dfj n LEU 115 CO 0.24 0.46 0.01 -1.20 -1.33 0.00 0.00 177.39 175.57 1dfj n SER 116 N -0.44 -1.61 -2.58 -1.43 7.64 -1.21 -3.35 113.62 110.63 1dfj n SER 116 Ca 0.00 0.43 -0.21 0.00 1.01 0.00 0.00 58.87 60.11 1dfj n SER 116 Cb 0.24 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 1dfj n SER 116 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1dfj n ASP 117 N -1.05 -5.81 -4.11 6.43 9.92 0.74 -2.12 116.55 120.55 1dfj n ASP 117 Ca 0.08 -0.08 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 1dfj n ASP 117 Cb 0.52 -4.80 -0.17 0.00 -0.64 0.00 0.00 41.12 36.03 1dfj n ASP 117 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1dfj s ASN 118 N -2.23 2.26 -0.60 -2.24 0.01 -1.20 -4.01 114.94 106.93 1dfj s ASN 118 Ca 0.09 -0.39 -0.05 0.00 -0.71 0.00 0.00 52.86 51.80 1dfj s ASN 118 Cb -0.04 -0.97 -0.09 0.00 0.41 0.00 0.00 41.25 40.57 1dfj s ASN 118 CO 0.11 0.10 2.16 -0.81 -1.51 0.00 0.00 177.10 177.15 1dfj n PRO 119 N 3.60 1.76 -0.03 -0.60 -0.04 -1.22 -4.22 135.00 134.24 1dfj n PRO 119 Ca -0.21 -1.15 0.02 0.00 -0.04 0.00 0.00 63.50 62.13 1dfj n PRO 119 Cb 0.52 -2.22 0.36 0.00 -0.04 0.00 0.00 33.50 32.13 1dfj n PRO 119 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1dfj h LEU 120 N 7.31 0.53 -0.23 1.53 3.38 -1.67 -3.28 115.31 122.88 1dfj h LEU 120 Ca 0.36 -0.04 0.26 0.00 0.09 0.00 0.00 57.88 58.55 1dfj h LEU 120 Cb 0.40 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 1dfj h LEU 120 CO 1.07 0.44 -0.47 0.61 0.09 0.00 0.00 178.44 180.17 1dfj n GLY 121 N -1.29 -2.04 0.21 0.83 0.00 -0.82 -0.51 105.19 101.58 1dfj n GLY 121 Ca 0.03 -1.26 0.06 0.00 0.00 0.00 0.00 46.02 44.86 1dfj n GLY 121 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dfj h ASP 122 N -0.91 0.00 -0.33 1.61 3.32 -1.88 -2.22 116.42 116.01 1dfj h ASP 122 Ca -0.02 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1dfj h ASP 122 Cb 0.90 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1dfj h ASP 122 CO 0.02 0.27 0.12 0.00 -1.72 0.00 0.00 179.24 177.92 1dfj h ALA 123 N 1.73 1.46 0.09 3.45 0.00 -1.95 0.24 119.26 124.28 1dfj h ALA 123 Ca -0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.50 1dfj h ALA 123 Cb 0.55 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 18.19 1dfj h ALA 123 CO 0.03 0.40 -1.08 0.78 0.00 0.00 0.00 179.25 179.38 1dfj h GLY 124 N 0.78 0.64 1.18 0.00 0.00 -0.20 -3.14 103.07 102.34 1dfj h GLY 124 Ca 0.14 -1.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.14 1dfj h GLY 124 CO -0.01 1.15 0.40 -2.00 0.00 0.00 0.00 176.54 176.09 1dfj h LEU 125 N 0.16 0.96 0.16 3.11 5.85 -1.08 -1.82 115.31 122.65 1dfj h LEU 125 Ca -0.16 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.49 1dfj h LEU 125 Cb 1.78 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.52 1dfj h LEU 125 CO 0.21 0.78 -0.36 -0.09 -0.34 0.00 0.00 178.44 178.64 1dfj h ARG 126 N 1.07 -0.60 -0.13 1.25 9.65 -0.98 0.34 114.38 124.99 1dfj h ARG 126 Ca 0.27 0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.16 1dfj h ARG 126 Cb 0.05 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 1dfj h ARG 126 CO -0.04 -0.40 -0.07 -0.07 2.80 0.00 0.00 179.97 182.19 1dfj h LEU 127 N -0.62 0.17 -1.03 3.80 3.38 -1.49 -1.88 115.31 117.65 1dfj h LEU 127 Ca 0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1dfj h LEU 127 Cb 0.63 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1dfj h LEU 127 CO -0.19 0.27 0.32 0.25 0.09 0.00 0.00 178.44 179.18 1dfj h LEU 128 N 0.18 0.92 -1.06 1.67 5.85 -0.33 -2.65 115.31 119.89 1dfj h LEU 128 Ca 0.04 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1dfj h LEU 128 Cb 0.25 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1dfj h LEU 128 CO 0.01 0.79 -0.07 0.00 -0.34 0.00 0.00 178.44 178.83 1dfj h GLU 130 N 0.00 0.00 0.05 0.00 5.08 -1.34 -2.70 114.58 115.67 1dfj h GLU 130 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1dfj h GLU 130 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1dfj h GLU 130 CO 0.01 0.16 -1.23 0.78 -1.00 0.00 0.00 179.01 177.73 1dfj h GLY 131 N 1.75 0.12 1.15 -3.84 0.00 -1.61 -3.37 103.07 97.28 1dfj h GLY 131 Ca -0.00 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.03 1dfj h GLY 131 CO 0.02 0.28 0.40 1.41 0.00 0.00 0.00 176.54 178.65 1dfj h LEU 132 N -0.66 0.00 0.05 3.11 3.38 -1.24 -2.16 115.31 117.79 1dfj h LEU 132 Ca -0.30 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.52 1dfj h LEU 132 Cb 1.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 1dfj h LEU 132 CO -0.06 0.00 -0.75 -0.07 0.09 0.00 0.00 178.44 177.64 1dfj h LEU 133 N 0.00 0.17 -8.50 1.67 3.38 -1.65 -3.47 115.31 106.91 1dfj h LEU 133 Ca 0.04 -0.85 -0.68 0.00 0.09 0.00 0.00 57.88 56.48 1dfj h LEU 133 Cb 0.84 -0.06 0.08 0.00 0.09 0.00 0.00 40.66 41.62 1dfj h LEU 133 CO -0.00 1.32 -0.27 -0.67 0.09 0.00 0.00 178.44 178.92 1dfj n ASP 134 N -4.32 -0.69 -0.03 -0.43 -0.08 -0.81 -4.74 116.55 105.44 1dfj n ASP 134 Ca -0.19 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.17 1dfj n ASP 134 Cb 0.68 -0.89 0.00 0.00 2.34 0.00 0.00 41.12 43.26 1dfj n ASP 134 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1dfj n PRO 135 N 1.14 0.62 -0.15 -0.67 -0.04 -1.26 -1.70 135.00 132.94 1dfj n PRO 135 Ca 0.18 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.69 1dfj n PRO 135 Cb 0.17 -1.02 0.13 0.00 -0.04 0.00 0.00 33.50 32.74 1dfj n PRO 135 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1dfj n GLN 136 N -0.45 2.44 -4.71 0.54 6.02 -1.26 -4.92 117.38 115.04 1dfj n GLN 136 Ca 0.00 -1.89 -0.30 0.00 -0.01 0.00 0.00 57.00 54.79 1dfj n GLN 136 Cb 0.01 -1.26 -0.17 0.00 1.02 0.00 0.00 30.24 29.84 1dfj n GLN 136 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1dfj n HIS 138 N 3.98 1.53 -1.56 0.00 8.25 -1.26 -4.84 115.22 121.32 1dfj n HIS 138 Ca -0.20 -2.26 -0.40 0.00 -0.26 0.00 0.00 57.72 54.59 1dfj n HIS 138 Cb 0.52 -0.26 0.02 0.00 1.12 0.00 0.00 29.99 31.39 1dfj n HIS 138 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1dfj n LEU 139 N -0.54 1.97 -0.02 2.41 7.94 -1.26 -4.77 117.00 122.72 1dfj n LEU 139 Ca 0.14 0.94 -0.03 0.00 -1.11 0.00 0.00 56.01 55.95 1dfj n LEU 139 Cb 0.82 -1.28 -0.04 0.00 0.53 0.00 0.00 43.42 43.45 1dfj n LEU 139 CO 0.15 -2.04 -0.66 -0.62 -1.11 0.00 0.00 177.39 173.11 1dfj n GLU 140 N 0.04 2.74 -3.89 1.96 1.02 0.31 -2.60 120.64 120.22 1dfj n GLU 140 Ca 0.11 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 57.00 1dfj n GLU 140 Cb 0.41 -1.12 -0.17 0.00 -0.02 0.00 0.00 31.44 30.54 1dfj n GLU 140 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1dfj s LYS 141 N -2.12 1.24 -0.10 3.49 1.02 -0.99 0.10 119.74 122.38 1dfj s LYS 141 Ca -0.03 -0.14 0.02 0.00 0.02 0.00 0.00 55.97 55.84 1dfj s LYS 141 Cb 0.02 -1.38 0.01 0.00 -0.52 0.00 0.00 37.83 35.96 1dfj s LYS 141 CO 0.19 -0.27 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.01 1dfj s LEU 142 N 1.74 1.83 -0.17 3.17 2.96 -0.26 -2.15 118.68 125.81 1dfj s LEU 142 Ca 0.04 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1dfj s LEU 142 Cb -0.13 -1.15 0.03 0.00 0.50 0.00 0.00 46.19 45.45 1dfj s LEU 142 CO -0.07 0.05 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.80 1dfj s GLN 143 N 0.79 2.10 -0.35 1.98 -0.21 -0.80 -1.81 119.66 121.36 1dfj s GLN 143 Ca -0.10 -0.65 0.12 0.00 0.02 0.00 0.00 55.36 54.74 1dfj s GLN 143 Cb -0.16 -2.19 0.45 0.00 1.00 0.00 0.00 33.01 32.11 1dfj s GLN 143 CO 0.01 -0.33 1.09 1.28 -2.12 0.00 0.00 175.29 175.23 1dfj n LEU 144 N 4.75 3.44 -4.81 2.90 4.77 0.21 -1.50 117.00 126.77 1dfj n LEU 144 Ca -0.16 -4.39 -0.33 0.00 -0.03 0.00 0.00 56.01 51.11 1dfj n LEU 144 Cb 0.48 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1dfj n LEU 144 CO 0.20 1.85 0.70 -0.70 -1.33 0.00 0.00 177.39 178.11 1dfj s GLU 145 N -3.49 3.71 -1.49 3.23 2.12 -1.25 -3.99 118.70 117.53 1dfj s GLU 145 Ca 0.40 1.21 -0.00 0.00 0.36 0.00 0.00 54.97 56.94 1dfj s GLU 145 Cb 0.40 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.71 1dfj s GLU 145 CO -0.06 -0.49 0.16 0.66 -0.54 0.00 0.00 175.26 175.00 1dfj n TYR 146 N -1.41 -1.41 0.11 5.30 4.01 -0.94 -0.18 117.16 122.64 1dfj n TYR 146 Ca 0.08 0.66 0.08 0.00 -0.16 0.00 0.00 57.90 58.57 1dfj n TYR 146 Cb 0.53 -3.17 0.17 0.00 -0.31 0.00 0.00 39.34 36.56 1dfj n TYR 146 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dfj n ARG 148 N 0.99 -5.36 -3.25 0.00 1.74 -1.26 -1.95 116.66 107.57 1dfj n ARG 148 Ca 0.14 0.79 -0.40 0.00 -0.77 0.00 0.00 57.85 57.61 1dfj n ARG 148 Cb 0.48 -5.49 -0.08 0.00 -1.02 0.00 0.00 32.46 26.35 1dfj n ARG 148 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1dfj s LEU 149 N -6.23 4.09 0.00 0.55 1.43 -1.26 -3.93 118.68 113.32 1dfj s LEU 149 Ca 0.36 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1dfj s LEU 149 Cb -0.16 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1dfj s LEU 149 CO 0.45 -0.30 0.00 0.35 0.23 0.00 0.00 176.35 177.07 1dfj n THR 150 N 5.20 0.00 0.32 5.49 -2.24 -1.26 -3.22 114.28 118.57 1dfj n THR 150 Ca -0.05 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.88 1dfj n THR 150 Cb 0.50 -1.45 0.64 0.00 -2.10 0.00 0.00 70.33 67.91 1dfj n THR 150 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dfj h ALA 151 N -0.70 1.00 -0.63 6.98 0.00 -1.71 -2.79 119.26 121.41 1dfj h ALA 151 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1dfj h ALA 151 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1dfj h ALA 151 CO 0.00 0.00 0.41 0.00 0.00 0.00 0.00 179.25 179.66 1dfj h ALA 152 N 2.12 1.65 0.00 0.00 0.00 -1.92 -0.88 119.26 120.23 1dfj h ALA 152 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dfj h ALA 152 Cb 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1dfj h ALA 152 CO 0.00 0.29 0.00 0.43 0.00 0.00 0.00 179.25 179.97 1dfj n SER 153 N -4.46 0.55 -0.11 0.00 7.64 -1.05 -3.60 113.62 112.59 1dfj n SER 153 Ca 0.07 0.68 -0.13 0.00 1.01 0.00 0.00 58.87 60.50 1dfj n SER 153 Cb 0.12 -0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 62.51 1dfj n SER 153 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dfj h GLU 155 N 0.75 0.33 0.00 0.00 4.57 -1.75 0.17 114.58 118.66 1dfj h GLU 155 Ca 0.06 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1dfj h GLU 155 Cb 1.00 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.54 1dfj h GLU 155 CO 0.10 0.39 -0.02 -1.00 -1.18 0.00 0.00 179.01 177.31 1dfj h PRO 156 N 0.20 0.00 0.10 0.92 0.13 -1.78 0.31 132.00 131.88 1dfj h PRO 156 Ca 0.07 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.92 1dfj h PRO 156 Cb 0.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 1dfj h PRO 156 CO -0.01 0.02 -1.46 -0.07 -0.23 0.00 0.00 178.00 176.25 1dfj h LEU 157 N 0.00 0.34 -1.24 1.56 3.38 -1.46 -2.24 115.31 115.64 1dfj h LEU 157 Ca -0.00 -0.83 0.16 0.00 0.09 0.00 0.00 57.88 57.30 1dfj h LEU 157 Cb 0.30 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 1dfj h LEU 157 CO 0.00 1.63 0.59 0.00 0.09 0.00 0.00 178.44 180.75 1dfj h ALA 158 N -0.08 1.83 -0.13 1.53 0.00 0.17 0.17 119.26 122.74 1dfj h ALA 158 Ca -0.32 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1dfj h ALA 158 Cb 1.74 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1dfj h ALA 158 CO 0.03 -0.10 0.01 0.77 0.00 0.00 0.00 179.25 179.96 1dfj h SER 159 N 0.70 0.22 -0.62 0.00 0.02 -0.46 -1.32 113.55 112.07 1dfj h SER 159 Ca 0.48 -0.28 0.05 0.00 -0.84 0.00 0.00 61.79 61.19 1dfj h SER 159 Cb 0.79 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 1dfj h SER 159 CO -0.24 0.44 0.41 0.58 -1.14 0.00 0.00 176.83 176.89 1dfj h VAL 160 N -0.02 1.04 0.02 2.27 2.07 -0.16 -2.94 116.25 118.53 1dfj h VAL 160 Ca 0.04 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1dfj h VAL 160 Cb 0.33 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1dfj h VAL 160 CO 0.00 0.12 -0.01 -0.07 0.02 0.00 0.00 177.57 177.64 1dfj h LEU 161 N 0.67 -0.02 -1.90 2.57 3.38 -0.48 -2.27 115.31 117.26 1dfj h LEU 161 Ca 0.26 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1dfj h LEU 161 Cb 0.18 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1dfj h LEU 161 CO -0.08 0.43 0.01 0.03 0.09 0.00 0.00 178.44 178.93 1dfj h ARG 162 N -0.48 0.00 0.00 1.13 3.08 -1.07 -2.48 114.38 114.55 1dfj h ARG 162 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1dfj h ARG 162 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1dfj h ARG 162 CO 0.00 0.00 -2.02 0.00 -1.07 0.00 0.00 179.97 176.89 1dfj n ALA 163 N -1.86 2.46 -2.29 0.04 0.00 -1.18 -4.76 120.51 112.92 1dfj n ALA 163 Ca -0.02 -0.67 -0.24 0.00 0.00 0.00 0.00 53.44 52.51 1dfj n ALA 163 Cb 0.06 -0.57 0.01 0.00 0.00 0.00 0.00 19.45 18.95 1dfj n ALA 163 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1dfj s THR 164 N -3.18 4.10 0.00 0.00 -1.32 -0.86 -4.98 115.64 109.39 1dfj s THR 164 Ca -0.08 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.08 1dfj s THR 164 Cb 0.11 -3.54 0.00 0.00 -1.51 0.00 0.00 72.50 67.56 1dfj s THR 164 CO 0.83 -0.43 0.15 -2.11 -2.21 0.00 0.00 174.62 170.85 1dfj n ARG 165 N -2.18 0.00 -0.09 7.08 1.85 -1.26 -3.51 116.66 118.55 1dfj n ARG 165 Ca 0.01 -0.15 -0.14 0.00 -1.00 0.00 0.00 57.85 56.58 1dfj n ARG 165 Cb 0.57 -0.18 -0.07 0.00 -1.05 0.00 0.00 32.46 31.74 1dfj n ARG 165 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1dfj n ALA 166 N 0.00 0.67 -1.55 2.89 0.00 -1.26 -4.40 120.51 116.86 1dfj n ALA 166 Ca 0.00 -0.52 -0.61 0.00 0.00 0.00 0.00 53.44 52.32 1dfj n ALA 166 Cb 0.46 -0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.60 1dfj n ALA 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1dfj n LEU 167 N -4.50 0.59 -0.01 0.00 7.94 -1.07 -4.69 117.00 115.25 1dfj n LEU 167 Ca -0.22 1.12 0.02 0.00 -1.11 0.00 0.00 56.01 55.82 1dfj n LEU 167 Cb 0.50 -0.86 -0.05 0.00 0.53 0.00 0.00 43.42 43.55 1dfj n LEU 167 CO 0.14 -1.29 -0.60 0.29 -1.11 0.00 0.00 177.39 174.82 1dfj n LYS 168 N 2.65 0.67 -3.76 1.96 5.02 0.29 -4.20 118.16 120.79 1dfj n LYS 168 Ca 0.24 -0.05 -0.16 0.00 -2.02 0.00 0.00 58.31 56.32 1dfj n LYS 168 Cb 0.01 -1.16 -0.16 0.00 -0.02 0.00 0.00 35.03 33.70 1dfj n LYS 168 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1dfj s GLU 169 N -2.40 -0.03 -0.04 1.97 2.12 0.68 0.05 118.70 121.05 1dfj s GLU 169 Ca -0.03 0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.53 1dfj s GLU 169 Cb 0.04 -0.30 0.02 0.00 0.26 0.00 0.00 34.13 34.14 1dfj s GLU 169 CO 0.27 -0.19 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.57 1dfj s LEU 170 N 1.25 1.52 -0.22 2.70 2.96 -0.75 -1.10 118.68 125.04 1dfj s LEU 170 Ca -0.07 -0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1dfj s LEU 170 Cb -0.13 -0.47 0.07 0.00 0.50 0.00 0.00 46.19 46.17 1dfj s LEU 170 CO -0.03 -0.01 0.09 -0.89 -1.32 0.00 0.00 176.35 174.19 1dfj s THR 171 N 0.63 0.14 -0.60 3.68 2.01 -0.75 -1.35 115.64 119.40 1dfj s THR 171 Ca -0.09 -0.52 0.07 0.00 0.31 0.00 0.00 61.69 61.45 1dfj s THR 171 Cb -0.12 -0.88 0.17 0.00 0.01 0.00 0.00 72.50 71.68 1dfj s THR 171 CO 0.00 -0.42 1.11 1.33 -0.69 0.00 0.00 174.62 175.95 1dfj n VAL 172 N 5.18 0.89 -1.25 3.82 0.24 -0.98 -0.62 118.33 125.62 1dfj n VAL 172 Ca -0.07 -0.95 -0.41 0.00 -2.04 0.00 0.00 64.34 60.88 1dfj n VAL 172 Cb 0.46 0.57 -0.01 0.00 -1.47 0.00 0.00 33.84 33.39 1dfj n VAL 172 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1dfj n SER 173 N 0.16 -2.45 -2.47 -1.34 7.64 -1.25 -3.88 113.62 110.03 1dfj n SER 173 Ca 0.07 0.83 -0.12 0.00 1.01 0.00 0.00 58.87 60.65 1dfj n SER 173 Cb 0.34 -0.85 0.05 0.00 -1.01 0.00 0.00 64.21 62.74 1dfj n SER 173 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1dfj n ASN 174 N 2.16 -3.10 -3.73 6.43 3.02 0.36 -2.22 115.26 118.18 1dfj n ASN 174 Ca 0.12 -0.36 -0.17 0.00 -0.03 0.00 0.00 54.58 54.13 1dfj n ASN 174 Cb 0.35 -3.35 -0.17 0.00 -0.61 0.00 0.00 39.78 36.01 1dfj n ASN 174 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1dfj s ASN 175 N -3.59 0.57 -1.12 6.41 0.01 -1.23 -3.06 114.94 112.93 1dfj s ASN 175 Ca 0.14 0.05 -0.22 0.00 -0.71 0.00 0.00 52.86 52.13 1dfj s ASN 175 Cb -0.06 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.48 1dfj s ASN 175 CO 0.45 -0.18 1.76 -0.62 -1.51 0.00 0.00 177.10 177.00 1dfj s ASP 176 N 1.54 5.97 -0.05 -1.22 -1.08 -1.20 -4.41 116.67 116.22 1dfj s ASP 176 Ca -0.03 -1.66 0.18 0.00 -0.52 0.00 0.00 52.55 50.52 1dfj s ASP 176 Cb -0.13 -2.58 -0.22 0.00 -1.46 0.00 0.00 42.92 38.54 1dfj s ASP 176 CO -0.03 -2.04 0.49 2.30 0.52 0.00 0.00 175.17 176.41 1dfj n ILE 177 N 7.16 1.01 -3.70 4.11 -5.35 -1.22 -3.72 119.36 117.66 1dfj n ILE 177 Ca 0.42 -0.71 0.01 0.00 -0.27 0.00 0.00 62.75 62.20 1dfj n ILE 177 Cb 0.48 -0.50 -0.00 0.00 -1.74 0.00 0.00 39.64 37.88 1dfj n ILE 177 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dfj n GLY 178 N 1.49 -1.83 0.26 3.28 0.00 -1.01 -3.35 105.19 104.03 1dfj n GLY 178 Ca -0.16 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 1dfj n GLY 178 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1dfj h GLU 179 N 0.00 0.90 -0.02 1.61 4.81 -1.87 -3.09 114.58 116.92 1dfj h GLU 179 Ca 0.00 -0.50 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1dfj h GLU 179 Cb 0.06 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1dfj h GLU 179 CO 0.00 1.15 -0.00 0.00 -0.73 0.00 0.00 179.01 179.43 1dfj h ALA 180 N 0.77 0.02 -0.42 2.92 0.00 -1.94 -2.69 119.26 117.93 1dfj h ALA 180 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1dfj h ALA 180 Cb 1.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1dfj h ALA 180 CO 0.10 -0.30 0.22 0.78 0.00 0.00 0.00 179.25 180.05 1dfj h GLY 181 N -0.31 0.63 2.00 0.00 0.00 -1.65 -1.58 103.07 102.16 1dfj h GLY 181 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1dfj h GLY 181 CO 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 176.54 176.73 1dfj h ALA 182 N 1.07 1.25 -0.01 3.60 0.00 -1.61 0.17 119.26 123.73 1dfj h ALA 182 Ca 0.14 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1dfj h ALA 182 Cb 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1dfj h ALA 182 CO -0.02 0.12 -0.30 -0.09 0.00 0.00 0.00 179.25 178.96 1dfj h ARG 183 N 0.00 0.23 -0.64 0.00 2.43 -1.09 1.15 114.38 116.46 1dfj h ARG 183 Ca -0.00 -0.23 0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1dfj h ARG 183 Cb 0.31 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 1dfj h ARG 183 CO 0.01 0.93 0.43 0.28 -1.51 0.00 0.00 179.97 180.11 1dfj h VAL 184 N -0.39 0.93 0.15 0.20 2.07 -0.28 0.48 116.25 119.41 1dfj h VAL 184 Ca -0.03 -0.18 -0.22 0.00 0.82 0.00 0.00 66.70 67.09 1dfj h VAL 184 Cb 1.03 0.37 0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1dfj h VAL 184 CO 0.06 0.09 -0.96 0.25 0.02 0.00 0.00 177.57 177.03 1dfj h LEU 185 N 0.52 0.59 -1.31 2.57 5.85 -0.66 -2.63 115.31 120.23 1dfj h LEU 185 Ca 0.29 -0.91 -0.03 0.00 0.84 0.00 0.00 57.88 58.07 1dfj h LEU 185 Cb 0.46 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1dfj h LEU 185 CO -0.09 1.46 0.10 1.23 -0.34 0.00 0.00 178.44 180.80 1dfj h GLY 186 N -0.17 0.61 0.76 3.75 0.00 0.27 -0.52 103.07 107.77 1dfj h GLY 186 Ca -0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1dfj h GLY 186 CO 0.18 0.30 -0.12 1.46 0.00 0.00 0.00 176.54 178.36 1dfj h GLN 187 N 0.56 -0.33 -0.79 4.80 4.20 -0.12 -2.63 115.11 120.80 1dfj h GLN 187 Ca 0.13 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.93 1dfj h GLN 187 Cb 0.20 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 1dfj h GLN 187 CO -0.01 -0.06 0.47 0.78 -0.67 0.00 0.00 178.83 179.34 1dfj h GLY 188 N -0.59 1.19 0.87 3.46 0.00 -1.07 -1.28 103.07 105.65 1dfj h GLY 188 Ca -0.04 -0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.03 1dfj h GLY 188 CO 0.06 0.20 0.57 1.41 0.00 0.00 0.00 176.54 178.77 1dfj h LEU 189 N 0.84 0.85 -0.40 3.11 3.38 -1.05 -2.43 115.31 119.62 1dfj h LEU 189 Ca 0.35 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 1dfj h LEU 189 Cb 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1dfj h LEU 189 CO -0.19 0.54 0.24 0.00 0.09 0.00 0.00 178.44 179.12 1dfj h ALA 190 N 1.53 0.50 -0.43 1.53 0.00 -0.86 -2.68 119.26 118.86 1dfj h ALA 190 Ca 0.38 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.99 1dfj h ALA 190 Cb 0.23 -0.16 -0.13 0.00 0.00 0.00 0.00 17.79 17.73 1dfj h ALA 190 CO -0.14 0.00 0.30 -0.25 0.00 0.00 0.00 179.25 179.16 1dfj n ASP 191 N -4.77 3.91 -4.49 0.00 8.00 -0.92 -4.91 116.55 113.37 1dfj n ASP 191 Ca 0.00 -2.75 -0.32 0.00 0.71 0.00 0.00 54.79 52.43 1dfj n ASP 191 Cb 0.06 -0.73 -0.13 0.00 -0.02 0.00 0.00 41.12 40.30 1dfj n ASP 191 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1dfj s SER 192 N 0.07 4.06 0.16 -2.24 0.15 -1.01 -4.55 113.70 110.34 1dfj s SER 192 Ca 0.25 -0.25 0.27 0.00 0.70 0.00 0.00 55.95 56.92 1dfj s SER 192 Cb 0.21 -0.82 0.91 0.00 -1.71 0.00 0.00 66.02 64.61 1dfj s SER 192 CO 0.04 0.31 1.80 0.00 1.20 0.00 0.00 173.24 176.59 1dfj n ALA 193 N 1.98 2.26 -1.66 5.45 0.00 -1.23 -4.90 120.51 122.42 1dfj n ALA 193 Ca -0.17 -0.04 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 1dfj n ALA 193 Cb 0.52 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.54 1dfj n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dfj s GLN 195 N -4.97 1.88 0.58 0.00 -0.21 -1.26 -5.05 119.66 110.62 1dfj s GLN 195 Ca 0.58 -1.62 -0.10 0.00 0.02 0.00 0.00 55.36 54.23 1dfj s GLN 195 Cb -0.13 -3.11 -0.04 0.00 1.00 0.00 0.00 33.01 30.73 1dfj s GLN 195 CO 0.53 -0.78 0.96 -0.51 -2.12 0.00 0.00 175.29 173.37 1dfj s LEU 196 N 1.02 3.35 0.00 2.90 1.02 -1.26 -4.49 118.68 121.22 1dfj s LEU 196 Ca 0.02 1.30 0.00 0.00 0.02 0.00 0.00 54.13 55.47 1dfj s LEU 196 Cb -0.20 -4.32 0.00 0.00 0.02 0.00 0.00 46.19 41.69 1dfj s LEU 196 CO -0.06 -0.78 0.00 -0.62 0.02 0.00 0.00 176.35 174.91 1dfj n GLU 197 N -2.57 1.91 -4.18 1.70 1.02 0.11 -1.66 120.64 116.97 1dfj n GLU 197 Ca 0.05 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.00 1dfj n GLU 197 Cb 0.54 -0.96 -0.16 0.00 -0.02 0.00 0.00 31.44 30.85 1dfj n GLU 197 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1dfj s THR 198 N -1.91 0.52 -0.07 2.62 2.01 -0.77 0.37 115.64 118.40 1dfj s THR 198 Ca 0.00 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 1dfj s THR 198 Cb 0.00 -0.52 0.03 0.00 0.01 0.00 0.00 72.50 72.02 1dfj s THR 198 CO 0.00 0.20 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.89 1dfj s LEU 199 N 0.63 0.87 -0.05 4.42 2.96 -0.53 -1.81 118.68 125.17 1dfj s LEU 199 Ca -0.08 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1dfj s LEU 199 Cb -0.12 -0.50 -0.00 0.00 0.50 0.00 0.00 46.19 46.07 1dfj s LEU 199 CO 0.00 -0.15 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.57 1dfj s ARG 200 N 1.65 1.95 -0.41 1.98 0.52 -0.46 -1.27 118.95 122.91 1dfj s ARG 200 Ca 0.01 -0.65 0.09 0.00 -0.52 0.00 0.00 55.73 54.65 1dfj s ARG 200 Cb -0.13 -1.67 0.31 0.00 0.52 0.00 0.00 34.95 33.98 1dfj s ARG 200 CO -0.04 0.25 0.77 1.28 0.02 0.00 0.00 175.30 177.57 1dfj n LEU 201 N 3.17 -0.36 -4.83 2.53 4.77 -0.19 -2.31 117.00 119.79 1dfj n LEU 201 Ca -0.18 -4.49 -0.32 0.00 -0.03 0.00 0.00 56.01 50.98 1dfj n LEU 201 Cb 0.53 0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 42.34 1dfj n LEU 201 CO 0.25 2.16 0.69 -0.70 -1.33 0.00 0.00 177.39 178.46 1dfj s GLU 202 N -1.25 3.82 -0.49 3.23 2.12 -1.26 -4.24 118.70 120.63 1dfj s GLU 202 Ca 0.34 1.06 -0.09 0.00 0.36 0.00 0.00 54.97 56.64 1dfj s GLU 202 Cb 0.28 -2.11 0.01 0.00 0.26 0.00 0.00 34.13 32.57 1dfj s GLU 202 CO -0.10 -0.39 0.18 -1.71 -0.54 0.00 0.00 175.26 172.70 1dfj n ASN 203 N -1.55 -0.95 -0.30 -1.70 5.15 -0.93 -0.48 115.26 114.49 1dfj n ASN 203 Ca 0.07 -0.49 0.06 0.00 -0.60 0.00 0.00 54.58 53.63 1dfj n ASN 203 Cb 0.54 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 39.20 1dfj n ASN 203 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1dfj n GLY 205 N 1.00 0.59 3.85 0.00 0.00 -1.26 -2.40 105.19 106.96 1dfj n GLY 205 Ca 0.05 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 1dfj n GLY 205 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dfj s LEU 206 N -1.26 2.29 0.18 0.99 1.43 -1.26 -3.59 118.68 117.46 1dfj s LEU 206 Ca 0.04 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 54.03 1dfj s LEU 206 Cb -0.02 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 1dfj s LEU 206 CO 0.05 -2.18 0.04 0.42 0.23 0.00 0.00 176.35 174.90 1dfj s THR 207 N -3.43 0.46 0.46 5.49 -4.23 -1.26 -3.97 115.64 109.15 1dfj s THR 207 Ca 0.63 -1.97 0.29 0.00 -1.18 0.00 0.00 61.69 59.46 1dfj s THR 207 Cb -0.13 -2.21 0.49 0.00 1.34 0.00 0.00 72.50 71.98 1dfj s THR 207 CO 0.51 -0.36 1.71 -0.65 -0.54 0.00 0.00 174.62 175.29 1dfj h PRO 208 N 2.68 0.17 -0.85 3.99 0.11 -1.74 0.36 132.00 136.72 1dfj h PRO 208 Ca -0.36 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.83 1dfj h PRO 208 Cb 1.21 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 1dfj h PRO 208 CO 0.61 0.11 0.55 0.00 -0.21 0.00 0.00 178.00 179.06 1dfj h ALA 209 N 1.52 1.67 0.00 -0.75 0.00 -1.95 -1.84 119.26 117.91 1dfj h ALA 209 Ca 0.69 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.56 1dfj h ALA 209 Cb 2.22 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 1dfj h ALA 209 CO -0.25 0.16 -0.16 -0.91 0.00 0.00 0.00 179.25 178.09 1dfj h ASN 210 N 0.84 0.00 -0.54 0.00 4.21 -0.64 -3.05 115.58 116.40 1dfj h ASN 210 Ca 0.39 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.86 1dfj h ASN 210 Cb 0.38 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.56 1dfj h ASN 210 CO -0.15 0.16 0.22 0.00 -1.29 0.00 0.00 177.43 176.36 1dfj h LYS 212 N 0.74 0.54 -0.19 0.00 3.64 -1.56 0.36 116.57 120.10 1dfj h LYS 212 Ca 0.18 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.34 1dfj h LYS 212 Cb 0.20 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1dfj h LYS 212 CO -0.01 0.35 -0.62 -0.44 -2.27 0.00 0.00 179.45 176.47 1dfj h ASP 213 N 0.55 0.87 -0.91 4.20 3.32 -1.52 -3.24 116.42 119.68 1dfj h ASP 213 Ca 0.55 -0.59 0.01 0.00 0.02 0.00 0.00 57.03 57.03 1dfj h ASP 213 Cb 0.96 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.21 1dfj h ASP 213 CO -0.45 1.31 0.60 -0.07 -1.72 0.00 0.00 179.24 178.91 1dfj h LEU 214 N 0.48 1.04 -1.42 1.55 3.38 0.75 -2.70 115.31 118.38 1dfj h LEU 214 Ca -0.02 -0.02 0.45 0.00 0.09 0.00 0.00 57.88 58.37 1dfj h LEU 214 Cb 1.24 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.64 1dfj h LEU 214 CO 0.13 0.74 0.97 0.00 0.09 0.00 0.00 178.44 180.37 1dfj h GLY 216 N 0.00 -0.12 0.19 0.00 0.00 -1.65 -2.98 103.07 98.51 1dfj h GLY 216 Ca 0.78 0.04 0.06 0.00 0.00 0.00 0.00 47.33 48.22 1dfj h GLY 216 CO -0.23 -0.04 -0.19 -2.22 0.00 0.00 0.00 176.54 173.85 1dfj h ILE 217 N -0.94 0.47 -0.04 2.60 5.03 -0.40 -1.18 117.51 123.05 1dfj h ILE 217 Ca -0.01 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.76 1dfj h ILE 217 Cb 0.53 0.47 -0.04 0.00 -3.03 0.00 0.00 36.82 34.75 1dfj h ILE 217 CO 0.02 0.00 -0.15 0.58 -0.68 0.00 0.00 178.15 177.92 1dfj h VAL 218 N -0.18 0.63 0.00 1.67 2.07 -1.55 0.81 116.25 119.70 1dfj h VAL 218 Ca 0.15 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 1dfj h VAL 218 Cb 0.40 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1dfj h VAL 218 CO -0.38 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.21 1dfj h ALA 219 N 0.76 1.16 0.00 1.67 0.00 -1.16 -3.19 119.26 118.50 1dfj h ALA 219 Ca 0.06 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1dfj h ALA 219 Cb 0.31 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1dfj h ALA 219 CO -0.17 0.01 -1.51 -1.13 0.00 0.00 0.00 179.25 176.44 1dfj n SER 220 N -3.32 2.99 -4.55 0.00 3.41 -0.53 -4.34 113.62 107.27 1dfj n SER 220 Ca -0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.18 1dfj n SER 220 Cb 0.09 0.93 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 1dfj n SER 220 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dfj s GLN 221 N -2.33 3.07 0.37 4.33 -1.52 0.27 -4.83 119.66 119.02 1dfj s GLN 221 Ca -0.04 -0.07 0.27 0.00 -1.95 0.00 0.00 55.36 53.57 1dfj s GLN 221 Cb 0.03 -4.24 0.90 0.00 -0.22 0.00 0.00 33.01 29.48 1dfj s GLN 221 CO 0.34 -2.28 1.78 0.00 -0.25 0.00 0.00 175.29 174.88 1dfj h ALA 222 N 11.10 1.00 -0.12 6.09 0.00 -1.86 -3.06 119.26 132.41 1dfj h ALA 222 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1dfj h ALA 222 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1dfj h ALA 222 CO 1.27 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 179.39 1dfj n SER 223 N -2.67 1.88 -4.61 0.00 3.41 -1.26 -4.48 113.62 105.90 1dfj n SER 223 Ca 0.03 -1.68 -0.43 0.00 -0.26 0.00 0.00 58.87 56.53 1dfj n SER 223 Cb 0.37 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 1dfj n SER 223 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1dfj s LEU 224 N -1.76 3.74 -0.18 1.04 2.96 -0.66 -3.16 118.68 120.65 1dfj s LEU 224 Ca 0.35 0.69 0.07 0.00 -0.22 0.00 0.00 54.13 55.02 1dfj s LEU 224 Cb 0.19 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 43.18 1dfj s LEU 224 CO 0.30 -1.12 -0.07 0.54 -1.32 0.00 0.00 176.35 174.68 1dfj n ARG 225 N 7.49 0.93 -4.69 1.98 5.12 0.16 -3.19 116.66 124.45 1dfj n ARG 225 Ca 0.12 0.06 -0.25 0.00 -1.93 0.00 0.00 57.85 55.85 1dfj n ARG 225 Cb 0.48 -1.41 -0.16 0.00 -1.16 0.00 0.00 32.46 30.22 1dfj n ARG 225 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1dfj s GLU 226 N -2.40 1.59 -0.29 5.56 2.12 -0.33 0.22 118.70 125.17 1dfj s GLU 226 Ca -0.18 -0.51 -0.00 0.00 0.36 0.00 0.00 54.97 54.64 1dfj s GLU 226 Cb 0.06 -1.38 0.09 0.00 0.26 0.00 0.00 34.13 33.16 1dfj s GLU 226 CO 0.55 0.17 0.06 -1.17 -0.54 0.00 0.00 175.26 174.34 1dfj s LEU 227 N 0.19 2.56 -0.42 2.70 2.96 0.51 -1.45 118.68 125.72 1dfj s LEU 227 Ca -0.06 -1.55 -0.12 0.00 -0.22 0.00 0.00 54.13 52.18 1dfj s LEU 227 Cb -0.12 -1.00 0.06 0.00 0.50 0.00 0.00 46.19 45.63 1dfj s LEU 227 CO 0.02 -0.37 0.29 -0.62 -1.32 0.00 0.00 176.35 174.36 1dfj s ASP 228 N 1.50 5.86 -0.02 3.68 -1.08 -0.40 -1.18 116.67 125.03 1dfj s ASP 228 Ca 0.06 -1.29 0.10 0.00 -0.52 0.00 0.00 52.55 50.91 1dfj s ASP 228 Cb -0.18 -2.07 0.30 0.00 -1.46 0.00 0.00 42.92 39.51 1dfj s ASP 228 CO -0.18 -0.53 1.24 0.18 0.52 0.00 0.00 175.17 176.41 1dfj n LEU 229 N 5.04 2.92 -4.46 -1.34 4.77 -0.54 -1.02 117.00 122.37 1dfj n LEU 229 Ca -0.11 -2.10 -0.34 0.00 -0.03 0.00 0.00 56.01 53.44 1dfj n LEU 229 Cb 0.44 -0.24 0.11 0.00 -2.33 0.00 0.00 43.42 41.41 1dfj n LEU 229 CO 0.41 0.70 0.04 0.61 -1.33 0.00 0.00 177.39 177.82 1dfj n GLY 230 N 0.31 -1.70 3.55 -0.72 0.00 -1.21 -4.03 105.19 101.39 1dfj n GLY 230 Ca 0.11 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 1dfj n GLY 230 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1dfj n SER 231 N -1.37 -5.51 -3.78 1.61 2.88 0.13 -2.20 113.62 105.38 1dfj n SER 231 Ca 0.08 -0.55 -0.25 0.00 -1.33 0.00 0.00 58.87 56.82 1dfj n SER 231 Cb 0.52 -5.03 -0.17 0.00 -0.75 0.00 0.00 64.21 58.79 1dfj n SER 231 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1dfj s ASN 232 N -3.53 2.14 -0.51 -3.46 0.01 -1.12 -3.51 114.94 104.98 1dfj s ASN 232 Ca 0.47 -0.38 -0.27 0.00 -0.71 0.00 0.00 52.86 51.97 1dfj s ASN 232 Cb -0.21 -0.55 -0.27 0.00 0.41 0.00 0.00 41.25 40.63 1dfj s ASN 232 CO 0.73 -0.22 1.80 0.61 -1.51 0.00 0.00 177.10 178.51 1dfj n GLY 233 N 5.08 0.83 0.11 0.66 0.00 -1.25 -4.32 105.19 106.31 1dfj n GLY 233 Ca -0.08 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 1dfj n GLY 233 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dfj h LEU 234 N 17.96 0.37 0.00 0.99 3.38 -1.71 -3.38 115.31 132.92 1dfj h LEU 234 Ca 0.24 -0.51 0.19 0.00 0.09 0.00 0.00 57.88 57.89 1dfj h LEU 234 Cb 0.78 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1dfj h LEU 234 CO 1.74 1.42 -0.25 0.61 0.09 0.00 0.00 178.44 182.05 1dfj n GLY 235 N 1.64 -1.75 0.28 0.83 0.00 0.20 -2.60 105.19 103.81 1dfj n GLY 235 Ca -0.15 -1.21 0.01 0.00 0.00 0.00 0.00 46.02 44.66 1dfj n GLY 235 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dfj h ASP 236 N -0.63 0.60 -0.16 1.61 5.19 -1.84 -2.82 116.42 118.37 1dfj h ASP 236 Ca 0.01 0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1dfj h ASP 236 Cb 0.62 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.03 1dfj h ASP 236 CO 0.00 0.36 -0.01 0.00 -3.12 0.00 0.00 179.24 176.48 1dfj h ALA 237 N 1.41 0.13 -0.57 3.45 0.00 -1.95 -0.21 119.26 121.52 1dfj h ALA 237 Ca 0.35 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.36 1dfj h ALA 237 Cb 0.29 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1dfj h ALA 237 CO -0.23 -0.45 0.31 0.78 0.00 0.00 0.00 179.25 179.66 1dfj h GLY 238 N 0.04 0.82 0.58 0.00 0.00 -1.30 0.41 103.07 103.62 1dfj h GLY 238 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.21 1dfj h GLY 238 CO -0.13 0.14 -0.24 -2.22 0.00 0.00 0.00 176.54 174.08 1dfj h ILE 239 N 0.58 0.46 -0.63 2.60 1.08 -1.23 0.29 117.51 120.66 1dfj h ILE 239 Ca 0.25 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.82 1dfj h ILE 239 Cb 0.14 0.46 -0.08 0.00 -3.07 0.00 0.00 36.82 34.28 1dfj h ILE 239 CO -0.16 0.00 0.23 0.00 -0.69 0.00 0.00 178.15 177.53 1dfj h ALA 240 N 0.29 0.82 0.00 1.87 0.00 -0.35 0.47 119.26 122.36 1dfj h ALA 240 Ca 0.03 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1dfj h ALA 240 Cb 0.47 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1dfj h ALA 240 CO -0.13 -0.20 -0.03 0.93 0.00 0.00 0.00 179.25 179.81 1dfj h GLU 241 N 0.40 0.00 0.02 0.00 3.07 0.71 -3.14 114.58 115.63 1dfj h GLU 241 Ca 0.32 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.94 1dfj h GLU 241 Cb 0.42 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.30 1dfj h GLU 241 CO -0.33 0.03 -1.25 1.25 -1.40 0.00 0.00 179.01 177.31 1dfj h LEU 242 N 0.00 0.05 -0.71 1.33 5.85 0.36 -3.39 115.31 118.80 1dfj h LEU 242 Ca -0.00 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1dfj h LEU 242 Cb 0.42 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1dfj h LEU 242 CO 0.00 1.06 0.42 0.00 -0.34 0.00 0.00 178.44 179.59 1dfj h PRO 244 N 0.81 0.26 0.01 0.00 0.11 -1.77 0.78 132.00 132.20 1dfj h PRO 244 Ca 0.30 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.20 1dfj h PRO 244 Cb 0.10 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1dfj h PRO 244 CO -0.14 0.17 -0.91 0.78 -0.21 0.00 0.00 178.00 177.69 1dfj h GLY 245 N 0.27 0.05 1.98 -0.55 0.00 -1.69 -3.13 103.07 100.00 1dfj h GLY 245 Ca 0.74 -0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.83 1dfj h GLY 245 CO -0.52 0.10 -0.57 1.41 0.00 0.00 0.00 176.54 176.96 1dfj h LEU 246 N 0.02 0.02 -0.41 3.11 3.38 -0.92 -2.39 115.31 118.13 1dfj h LEU 246 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1dfj h LEU 246 Cb 1.59 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1dfj h LEU 246 CO 0.12 0.59 0.00 -0.07 0.09 0.00 0.00 178.44 179.17 1dfj h LEU 247 N 0.02 0.00 -9.10 1.67 3.38 -1.20 -3.45 115.31 106.62 1dfj h LEU 247 Ca -0.01 0.00 -0.78 0.00 0.09 0.00 0.00 57.88 57.19 1dfj h LEU 247 Cb 1.02 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.79 1dfj h LEU 247 CO 0.08 0.00 0.65 -0.24 0.09 0.00 0.00 178.44 179.01 1dfj n SER 248 N -2.52 1.59 0.30 -0.43 2.88 -0.91 -4.79 113.62 109.73 1dfj n SER 248 Ca 0.04 1.13 0.16 0.00 -1.33 0.00 0.00 58.87 58.86 1dfj n SER 248 Cb 0.37 -1.04 0.85 0.00 -0.75 0.00 0.00 64.21 63.64 1dfj n SER 248 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1dfj h PRO 249 N 5.54 0.00 -0.05 -1.46 0.13 -1.88 -1.70 132.00 132.58 1dfj h PRO 249 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1dfj h PRO 249 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1dfj h PRO 249 CO 0.89 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.66 1dfj n ALA 250 N -1.89 2.50 -2.67 -0.56 0.00 -1.26 -4.89 120.51 111.74 1dfj n ALA 250 Ca -0.02 -0.63 -0.39 0.00 0.00 0.00 0.00 53.44 52.40 1dfj n ALA 250 Cb 0.25 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 1dfj n ALA 250 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dfj s SER 251 N -1.96 6.65 -0.29 0.00 0.15 -0.64 -3.97 113.70 113.64 1dfj s SER 251 Ca 0.32 0.79 0.09 0.00 0.70 0.00 0.00 55.95 57.85 1dfj s SER 251 Cb 0.20 -2.32 0.47 0.00 -1.71 0.00 0.00 66.02 62.66 1dfj s SER 251 CO 0.31 -0.20 1.17 0.54 1.20 0.00 0.00 173.24 176.27 1dfj n ARG 252 N 4.74 3.34 -1.67 5.44 3.00 -1.26 -4.93 116.66 125.31 1dfj n ARG 252 Ca -0.03 -4.09 -0.45 0.00 -0.01 0.00 0.00 57.85 53.27 1dfj n ARG 252 Cb 0.50 -2.18 -0.04 0.00 0.00 0.00 0.00 32.46 30.74 1dfj n ARG 252 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1dfj n LEU 253 N -0.68 3.83 -0.02 0.55 7.94 -1.19 -4.64 117.00 122.78 1dfj n LEU 253 Ca 0.39 0.94 -0.22 0.00 -1.11 0.00 0.00 56.01 56.00 1dfj n LEU 253 Cb 0.93 -1.45 -0.13 0.00 0.53 0.00 0.00 43.42 43.30 1dfj n LEU 253 CO 0.35 0.08 -0.74 1.17 -1.11 0.00 0.00 177.39 177.15 1dfj n LYS 254 N 7.10 0.71 -4.06 1.96 4.81 0.51 -3.92 118.16 125.27 1dfj n LYS 254 Ca 0.21 0.35 -0.31 0.00 -0.87 0.00 0.00 58.31 57.69 1dfj n LYS 254 Cb 0.35 -1.72 -0.16 0.00 0.02 0.00 0.00 35.03 33.52 1dfj n LYS 254 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1dfj s THR 255 N -2.51 1.81 -0.25 3.15 2.01 0.13 -1.81 115.64 118.17 1dfj s THR 255 Ca -0.24 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 60.90 1dfj s THR 255 Cb 0.06 -1.71 0.04 0.00 0.01 0.00 0.00 72.50 70.91 1dfj s THR 255 CO 0.72 0.42 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.76 1dfj s LEU 256 N 1.37 3.22 -0.28 4.42 2.96 -1.14 -0.36 118.68 128.87 1dfj s LEU 256 Ca 0.03 -1.10 -0.11 0.00 -0.22 0.00 0.00 54.13 52.74 1dfj s LEU 256 Cb -0.14 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.91 1dfj s LEU 256 CO -0.11 -0.15 0.19 0.26 -1.32 0.00 0.00 176.35 175.22 1dfj s TRP 257 N 1.22 3.22 -0.30 5.38 0.23 -0.33 -2.51 118.94 125.86 1dfj s TRP 257 Ca -0.03 0.09 0.18 0.00 -2.03 0.00 0.00 56.10 54.30 1dfj s TRP 257 Cb -0.18 -2.39 0.48 0.00 0.03 0.00 0.00 33.47 31.42 1dfj s TRP 257 CO -0.06 -0.18 1.07 1.28 0.96 0.00 0.00 176.95 180.03 1dfj n LEU 258 N 5.06 2.21 -4.82 2.99 4.77 -0.48 -1.46 117.00 125.27 1dfj n LEU 258 Ca -0.14 -3.63 -0.33 0.00 -0.03 0.00 0.00 56.01 51.88 1dfj n LEU 258 Cb 0.52 0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.83 1dfj n LEU 258 CO 0.33 1.43 0.66 -1.66 -1.33 0.00 0.00 177.39 176.82 1dfj s TRP 259 N -3.55 3.31 -1.26 -1.77 1.48 -1.25 -4.12 118.94 111.79 1dfj s TRP 259 Ca 0.32 1.58 -0.26 0.00 -1.06 0.00 0.00 56.10 56.68 1dfj s TRP 259 Cb 0.38 -2.86 0.03 0.00 -1.16 0.00 0.00 33.47 29.86 1dfj s TRP 259 CO -0.02 -0.22 0.60 0.39 -4.06 0.00 0.00 176.95 173.65 1dfj n GLU 260 N -0.83 -0.67 -0.07 3.25 1.02 0.07 -0.69 120.64 122.71 1dfj n GLU 260 Ca 0.07 0.16 0.05 0.00 -0.02 0.00 0.00 57.16 57.42 1dfj n GLU 260 Cb 0.54 -3.05 0.09 0.00 -0.02 0.00 0.00 31.44 29.00 1dfj n GLU 260 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dfj n ASP 262 N -0.84 -4.21 -4.84 0.00 8.00 -1.26 0.62 116.55 114.02 1dfj n ASP 262 Ca 0.09 0.07 -0.36 0.00 0.71 0.00 0.00 54.79 55.31 1dfj n ASP 262 Cb 0.48 -3.26 -0.06 0.00 -0.02 0.00 0.00 41.12 38.26 1dfj n ASP 262 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1dfj s ILE 263 N -2.61 4.79 0.00 0.53 1.01 -1.26 -3.62 121.20 120.03 1dfj s ILE 263 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.60 1dfj s ILE 263 Cb 0.00 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1dfj s ILE 263 CO 0.00 0.25 0.00 0.35 0.00 0.00 0.00 174.94 175.54 1dfj n THR 264 N 0.84 0.00 -0.22 2.92 -2.24 -1.26 -3.10 114.28 111.21 1dfj n THR 264 Ca -0.05 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.69 1dfj n THR 264 Cb 0.52 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.76 1dfj n THR 264 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dfj h ALA 265 N 1.00 0.04 -0.99 6.98 0.00 -1.76 -2.77 119.26 121.77 1dfj h ALA 265 Ca 0.00 0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.23 1dfj h ALA 265 Cb 0.00 0.77 -0.15 0.00 0.00 0.00 0.00 17.79 18.41 1dfj h ALA 265 CO 0.00 -0.64 -0.44 0.77 0.00 0.00 0.00 179.25 178.94 1dfj h SER 266 N -0.13 -1.61 0.06 0.00 0.02 -1.96 -0.20 113.55 109.73 1dfj h SER 266 Ca 0.26 0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 61.51 1dfj h SER 266 Cb 0.55 0.80 -0.00 0.00 0.14 0.00 0.00 62.40 63.89 1dfj h SER 266 CO -0.71 -0.28 -0.04 1.23 -1.14 0.00 0.00 176.83 175.89 1dfj h GLY 267 N -0.01 0.00 1.03 -3.77 0.00 -1.79 -2.56 103.07 95.98 1dfj h GLY 267 Ca 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.53 1dfj h GLY 267 CO -0.97 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 175.46 1dfj h ARG 269 N 0.73 0.43 -0.26 0.00 2.43 -1.38 0.89 114.38 117.23 1dfj h ARG 269 Ca 0.12 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 1dfj h ARG 269 Cb 0.65 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1dfj h ARG 269 CO 0.04 0.28 -0.40 -0.44 -1.51 0.00 0.00 179.97 177.94 1dfj h ASP 270 N 0.44 0.65 0.32 -3.80 3.32 -1.48 -3.19 116.42 112.68 1dfj h ASP 270 Ca 0.51 -0.29 -0.19 0.00 0.02 0.00 0.00 57.03 57.08 1dfj h ASP 270 Cb 0.89 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1dfj h ASP 270 CO -0.48 0.98 -0.76 -0.07 -1.72 0.00 0.00 179.24 177.19 1dfj h LEU 271 N 0.51 0.44 -1.47 1.55 3.38 0.59 -3.27 115.31 117.03 1dfj h LEU 271 Ca 0.04 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1dfj h LEU 271 Cb 0.92 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1dfj h LEU 271 CO 0.08 1.05 -0.19 0.00 0.09 0.00 0.00 178.44 179.46 1dfj h ARG 273 N 0.10 0.00 0.04 0.00 3.08 -1.61 -1.83 114.38 114.16 1dfj h ARG 273 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1dfj h ARG 273 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1dfj h ARG 273 CO 0.03 0.06 -0.02 0.28 -1.07 0.00 0.00 179.97 179.25 1dfj h VAL 274 N 0.00 1.06 -0.78 2.04 2.07 -1.25 -2.46 116.25 116.92 1dfj h VAL 274 Ca -0.00 -1.65 0.15 0.00 0.82 0.00 0.00 66.70 66.01 1dfj h VAL 274 Cb 0.31 1.95 -0.10 0.00 -1.52 0.00 0.00 31.29 31.94 1dfj h VAL 274 CO 0.01 0.34 0.34 -0.07 0.02 0.00 0.00 177.57 178.21 1dfj h LEU 275 N -0.95 0.35 -1.25 2.57 3.38 -1.16 1.23 115.31 119.47 1dfj h LEU 275 Ca -0.01 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1dfj h LEU 275 Cb 0.60 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1dfj h LEU 275 CO 0.01 0.13 -0.07 1.56 0.09 0.00 0.00 178.44 180.16 1dfj h GLN 276 N 0.49 0.42 0.10 1.13 4.20 -1.43 -3.21 115.11 116.81 1dfj h GLN 276 Ca 0.43 -0.10 -0.31 0.00 0.06 0.00 0.00 58.65 58.73 1dfj h GLN 276 Cb 0.65 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1dfj h GLN 276 CO -0.40 0.51 -1.65 0.00 -0.67 0.00 0.00 178.83 176.62 1dfj h ALA 277 N 1.53 0.40 -2.78 3.87 0.00 0.01 -3.42 119.26 118.88 1dfj h ALA 277 Ca 0.08 -1.23 -0.71 0.00 0.00 0.00 0.00 54.91 53.05 1dfj h ALA 277 Cb 0.38 0.40 -0.24 0.00 0.00 0.00 0.00 17.79 18.33 1dfj h ALA 277 CO 0.02 1.26 -0.51 0.15 0.00 0.00 0.00 179.25 180.17 1dfj s LYS 278 N -2.60 2.87 0.00 0.00 -0.14 0.39 -4.89 119.74 115.36 1dfj s LYS 278 Ca -0.11 -1.05 0.30 0.00 -1.36 0.00 0.00 55.97 53.75 1dfj s LYS 278 Cb 0.07 -3.74 1.42 0.00 -1.68 0.00 0.00 37.83 33.90 1dfj s LYS 278 CO 0.83 -0.69 1.96 0.39 -0.76 0.00 0.00 175.35 177.08 1dfj n GLU 279 N 5.01 1.26 0.01 1.68 1.02 -1.26 -3.49 120.64 124.88 1dfj n GLU 279 Ca -0.12 -0.47 0.11 0.00 -0.02 0.00 0.00 57.16 56.66 1dfj n GLU 279 Cb 0.46 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.29 1dfj n GLU 279 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1dfj n THR 280 N -0.46 0.12 -2.69 2.62 -2.24 -1.26 -4.69 114.28 105.68 1dfj n THR 280 Ca 0.20 -0.39 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 1dfj n THR 280 Cb 0.24 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 1dfj n THR 280 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1dfj s LEU 281 N -4.31 4.01 -0.10 3.22 2.96 -1.23 -4.34 118.68 118.90 1dfj s LEU 281 Ca -0.02 1.11 -0.12 0.00 -0.22 0.00 0.00 54.13 54.88 1dfj s LEU 281 Cb 0.14 -3.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 1dfj s LEU 281 CO 0.87 -0.77 -0.23 0.29 -1.32 0.00 0.00 176.35 175.19 1dfj n LYS 282 N 6.58 0.34 -4.00 1.98 4.76 -0.88 -3.81 118.16 123.15 1dfj n LYS 282 Ca 0.11 0.14 -0.26 0.00 -2.87 0.00 0.00 58.31 55.43 1dfj n LYS 282 Cb 0.47 -1.09 -0.04 0.00 -1.84 0.00 0.00 35.03 32.53 1dfj n LYS 282 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1dfj s GLU 283 N -2.43 3.25 -0.30 1.97 2.02 -0.75 -1.67 118.70 120.78 1dfj s GLU 283 Ca -0.19 -0.71 -0.06 0.00 0.02 0.00 0.00 54.97 54.03 1dfj s GLU 283 Cb 0.03 -2.85 0.18 0.00 0.10 0.00 0.00 34.13 31.60 1dfj s GLU 283 CO 0.28 0.50 0.84 -1.17 0.02 0.00 0.00 175.26 175.73 1dfj s LEU 284 N -3.23 -0.91 0.04 1.80 2.96 -0.83 -2.87 118.68 115.64 1dfj s LEU 284 Ca 0.33 0.45 -0.13 0.00 -0.22 0.00 0.00 54.13 54.56 1dfj s LEU 284 Cb -0.11 1.72 -0.06 0.00 0.50 0.00 0.00 46.19 48.24 1dfj s LEU 284 CO 0.27 -0.17 0.43 -0.55 -1.32 0.00 0.00 176.35 175.00 1dfj s SER 285 N 2.91 6.78 -0.01 3.68 0.15 -1.04 -2.58 113.70 123.58 1dfj s SER 285 Ca 0.11 0.94 0.01 0.00 0.70 0.00 0.00 55.95 57.72 1dfj s SER 285 Cb -0.11 -2.24 0.02 0.00 -1.71 0.00 0.00 66.02 61.98 1dfj s SER 285 CO -0.18 0.26 0.81 0.18 1.20 0.00 0.00 173.24 175.51 1dfj n LEU 286 N 1.45 0.29 -4.63 3.45 4.77 -0.14 -1.39 117.00 120.80 1dfj n LEU 286 Ca -0.11 -0.81 -0.40 0.00 -0.03 0.00 0.00 56.01 54.66 1dfj n LEU 286 Cb 0.52 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1dfj n LEU 286 CO 0.39 0.20 0.64 0.00 -1.33 0.00 0.00 177.39 177.29 1dfj n ALA 287 N -0.13 0.44 0.00 -1.18 0.00 -1.17 -2.72 120.51 115.75 1dfj n ALA 287 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1dfj n ALA 287 Cb 0.59 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1dfj n ALA 287 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dfj n GLY 288 N 1.13 2.20 3.75 0.00 0.00 -0.62 -0.75 105.19 110.90 1dfj n GLY 288 Ca 0.10 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1dfj n GLY 288 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dfj s ASN 289 N 0.09 6.35 -1.28 1.61 0.01 -1.10 -4.77 114.94 115.84 1dfj s ASN 289 Ca 0.00 2.98 -0.13 0.00 -0.71 0.00 0.00 52.86 55.01 1dfj s ASN 289 Cb 0.00 -2.64 0.14 0.00 0.41 0.00 0.00 41.25 39.16 1dfj s ASN 289 CO 0.00 -0.92 1.75 0.29 -1.51 0.00 0.00 177.10 176.70 1dfj n LYS 290 N 1.92 3.36 0.11 -0.60 5.02 -1.18 -4.16 118.16 122.64 1dfj n LYS 290 Ca 0.07 -3.48 -0.03 0.00 -2.02 0.00 0.00 58.31 52.85 1dfj n LYS 290 Cb 0.37 -3.10 0.05 0.00 -0.02 0.00 0.00 35.03 32.33 1dfj n LYS 290 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1dfj h LEU 291 N 9.53 0.00 -0.28 -0.35 3.38 -1.72 -3.39 115.31 122.48 1dfj h LEU 291 Ca 0.40 0.00 0.36 0.00 0.09 0.00 0.00 57.88 58.73 1dfj h LEU 291 Cb 0.75 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 1dfj h LEU 291 CO 1.50 0.76 -0.57 0.61 0.09 0.00 0.00 178.44 180.83 1dfj n GLY 292 N 0.80 -2.03 0.33 0.83 0.00 -0.62 -0.58 105.19 103.91 1dfj n GLY 292 Ca -0.00 -1.17 0.09 0.00 0.00 0.00 0.00 46.02 44.93 1dfj n GLY 292 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dfj h ASP 293 N -1.24 0.35 0.40 1.61 3.32 -1.86 -1.62 116.42 117.38 1dfj h ASP 293 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1dfj h ASP 293 Cb 1.22 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1dfj h ASP 293 CO 0.02 0.23 -0.70 -0.08 -1.72 0.00 0.00 179.24 177.00 1dfj h GLU 294 N 0.41 0.26 -0.73 3.56 4.57 -1.94 0.18 114.58 120.88 1dfj h GLU 294 Ca 0.21 -0.21 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1dfj h GLU 294 Cb 0.30 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 1dfj h GLU 294 CO -0.05 0.85 0.28 0.78 -1.18 0.00 0.00 179.01 179.69 1dfj h GLY 295 N 1.54 1.18 0.78 1.92 0.00 0.02 -1.78 103.07 106.72 1dfj h GLY 295 Ca -0.02 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.63 1dfj h GLY 295 CO 0.11 0.61 -0.42 0.00 0.00 0.00 0.00 176.54 176.84 1dfj h ALA 296 N 1.14 -1.27 -0.92 3.60 0.00 -0.87 -2.52 119.26 118.41 1dfj h ALA 296 Ca 0.24 -0.24 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1dfj h ALA 296 Cb 0.22 0.49 -0.17 0.00 0.00 0.00 0.00 17.79 18.33 1dfj h ALA 296 CO -0.02 -1.21 -0.25 -2.13 0.00 0.00 0.00 179.25 175.64 1dfj n ARG 297 N -5.10 -0.11 0.11 0.00 0.63 0.59 -1.36 116.66 111.42 1dfj n ARG 297 Ca -0.14 1.44 -0.14 0.00 -0.92 0.00 0.00 57.85 58.09 1dfj n ARG 297 Cb 0.45 -2.14 -0.07 0.00 0.45 0.00 0.00 32.46 31.14 1dfj n ARG 297 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1dfj h LEU 298 N 0.00 -1.16 -0.92 6.15 3.38 -1.16 -2.81 115.31 118.79 1dfj h LEU 298 Ca 0.42 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.59 1dfj h LEU 298 Cb 0.65 0.44 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 1dfj h LEU 298 CO -0.94 -0.47 0.58 -0.07 0.09 0.00 0.00 178.44 177.62 1dfj h LEU 299 N -0.63 0.91 -0.43 1.67 3.38 -0.78 -2.74 115.31 116.69 1dfj h LEU 299 Ca 0.03 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1dfj h LEU 299 Cb 0.66 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1dfj h LEU 299 CO -0.23 0.58 0.01 0.00 0.09 0.00 0.00 178.44 178.89 1dfj h GLU 301 N 0.13 0.21 0.00 0.00 4.57 -1.37 0.20 114.58 118.32 1dfj h GLU 301 Ca 0.22 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1dfj h GLU 301 Cb 0.31 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1dfj h GLU 301 CO -0.35 0.14 -0.86 -1.13 -1.18 0.00 0.00 179.01 175.63 1dfj n SER 302 N -4.43 0.65 0.00 1.04 3.41 -0.73 -3.28 113.62 110.28 1dfj n SER 302 Ca 0.23 -0.03 0.15 0.00 -0.26 0.00 0.00 58.87 58.96 1dfj n SER 302 Cb 0.96 0.52 0.75 0.00 -0.26 0.00 0.00 64.21 66.17 1dfj n SER 302 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dfj n LEU 303 N -2.07 0.00 -0.06 1.04 4.77 0.04 -2.92 117.00 117.79 1dfj n LEU 303 Ca 0.02 0.30 -0.08 0.00 -0.03 0.00 0.00 56.01 56.23 1dfj n LEU 303 Cb 0.45 -0.30 -0.15 0.00 -2.33 0.00 0.00 43.42 41.09 1dfj n LEU 303 CO 0.39 -0.00 -0.86 0.18 -1.33 0.00 0.00 177.39 175.77 1dfj n LEU 304 N -1.30 0.37 -4.56 2.23 4.77 -1.09 -4.73 117.00 112.68 1dfj n LEU 304 Ca 0.14 0.17 -0.39 0.00 -0.03 0.00 0.00 56.01 55.90 1dfj n LEU 304 Cb 0.25 0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1dfj n LEU 304 CO 0.23 0.41 1.71 -1.10 -1.33 0.00 0.00 177.39 177.31 1dfj s GLN 305 N -2.61 2.69 0.65 3.23 -1.52 -1.15 -4.78 119.66 116.17 1dfj s GLN 305 Ca -0.08 1.09 0.14 0.00 -1.95 0.00 0.00 55.36 54.57 1dfj s GLN 305 Cb 0.07 -4.39 0.79 0.00 -0.22 0.00 0.00 33.01 29.26 1dfj s GLN 305 CO 0.83 -2.62 1.44 -1.35 -0.25 0.00 0.00 175.29 173.34 1dfj h PRO 306 N 15.62 0.00 0.00 2.91 0.11 -1.85 0.43 132.00 149.21 1dfj h PRO 306 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1dfj h PRO 306 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1dfj h PRO 306 CO 1.14 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.34 1dfj n GLY 307 N -1.36 -1.31 3.58 -0.55 0.00 -1.26 -4.62 105.19 99.67 1dfj n GLY 307 Ca -0.01 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1dfj n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfj n GLN 309 N 6.75 3.33 -2.65 0.00 6.02 -1.26 -4.85 117.38 124.72 1dfj n GLN 309 Ca 0.05 -4.08 -0.41 0.00 -0.01 0.00 0.00 57.00 52.55 1dfj n GLN 309 Cb 0.48 -2.27 -0.04 0.00 1.02 0.00 0.00 30.24 29.43 1dfj n GLN 309 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1dfj s LEU 310 N -3.66 4.45 -0.23 1.08 2.96 -1.25 -4.69 118.68 117.33 1dfj s LEU 310 Ca 0.52 1.85 -0.16 0.00 -0.22 0.00 0.00 54.13 56.13 1dfj s LEU 310 Cb 0.42 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 43.43 1dfj s LEU 310 CO -0.09 -0.19 -0.32 -0.62 -1.32 0.00 0.00 176.35 173.82 1dfj n GLU 311 N 3.07 0.56 -3.79 1.98 1.02 -0.67 -3.26 120.64 119.56 1dfj n GLU 311 Ca 0.04 0.27 -0.37 0.00 -0.02 0.00 0.00 57.16 57.08 1dfj n GLU 311 Cb 0.49 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.29 1dfj n GLU 311 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1dfj s SER 312 N -6.81 4.97 -0.18 1.62 0.01 -1.00 -0.44 113.70 111.88 1dfj s SER 312 Ca -0.34 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1dfj s SER 312 Cb 0.10 -1.87 0.01 0.00 0.21 0.00 0.00 66.02 64.47 1dfj s SER 312 CO 0.46 -0.10 -0.17 -0.22 0.41 0.00 0.00 173.24 173.62 1dfj s LEU 313 N 1.54 2.31 -0.27 2.44 2.96 -0.99 -1.96 118.68 124.70 1dfj s LEU 313 Ca 0.05 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 1dfj s LEU 313 Cb -0.16 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.01 1dfj s LEU 313 CO 0.02 0.02 0.02 0.26 -1.32 0.00 0.00 176.35 175.35 1dfj s TRP 314 N 1.16 3.09 -0.36 5.38 0.52 -1.06 -2.46 118.94 125.21 1dfj s TRP 314 Ca 0.01 -1.14 0.09 0.00 0.02 0.00 0.00 56.10 55.08 1dfj s TRP 314 Cb -0.14 -2.17 0.45 0.00 -1.15 0.00 0.00 33.47 30.46 1dfj s TRP 314 CO -0.07 -0.61 1.12 1.33 0.02 0.00 0.00 176.95 178.73 1dfj n VAL 315 N 4.79 2.13 -1.86 4.03 0.24 -0.25 -0.97 118.33 126.44 1dfj n VAL 315 Ca -0.16 -4.24 -0.42 0.00 -2.04 0.00 0.00 64.34 57.49 1dfj n VAL 315 Cb 0.48 -0.70 -0.02 0.00 -1.47 0.00 0.00 33.84 32.12 1dfj n VAL 315 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1dfj s LYS 316 N -3.53 4.18 -1.24 7.34 2.20 -1.22 -3.36 119.74 124.10 1dfj s LYS 316 Ca 0.44 2.47 -0.06 0.00 -0.36 0.00 0.00 55.97 58.46 1dfj s LYS 316 Cb 0.40 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.63 1dfj s LYS 316 CO -0.07 -0.61 0.73 0.45 -0.36 0.00 0.00 175.35 175.49 1dfj n SER 317 N 3.04 -2.81 -1.72 1.43 2.88 0.02 -1.58 113.62 114.87 1dfj n SER 317 Ca 0.11 -0.87 -0.18 0.00 -1.33 0.00 0.00 58.87 56.60 1dfj n SER 317 Cb 0.38 -3.95 0.09 0.00 -0.75 0.00 0.00 64.21 59.98 1dfj n SER 317 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dfj n SER 319 N -0.89 -2.00 -4.97 0.00 7.64 -1.26 -1.59 113.62 110.55 1dfj n SER 319 Ca 0.42 -0.93 -0.20 0.00 1.01 0.00 0.00 58.87 59.16 1dfj n SER 319 Cb 0.91 -3.31 -0.02 0.00 -1.01 0.00 0.00 64.21 60.78 1dfj n SER 319 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1dfj s LEU 320 N -7.05 4.22 0.00 -3.43 1.43 -1.26 -3.36 118.68 109.23 1dfj s LEU 320 Ca 0.30 -0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1dfj s LEU 320 Cb -0.16 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 1dfj s LEU 320 CO 0.87 -0.17 0.23 0.35 0.23 0.00 0.00 176.35 177.86 1dfj n THR 321 N -1.47 0.00 -0.33 5.49 -2.24 -1.26 -3.22 114.28 111.25 1dfj n THR 321 Ca -0.07 -1.41 0.18 0.00 -2.27 0.00 0.00 64.05 60.49 1dfj n THR 321 Cb 0.57 0.75 0.42 0.00 -2.10 0.00 0.00 70.33 69.97 1dfj n THR 321 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dfj h ALA 322 N 1.73 1.94 0.00 6.98 0.00 -1.70 -2.51 119.26 125.70 1dfj h ALA 322 Ca -0.16 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dfj h ALA 322 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1dfj h ALA 322 CO 0.22 -0.35 0.19 0.00 0.00 0.00 0.00 179.25 179.31 1dfj n ALA 323 N -2.39 0.73 0.01 0.00 0.00 -1.26 -1.21 120.51 116.39 1dfj n ALA 323 Ca 0.25 0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.86 1dfj n ALA 323 Cb 0.74 -0.84 -0.12 0.00 0.00 0.00 0.00 19.45 19.22 1dfj n ALA 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dfj h GLN 326 N 0.41 0.70 0.08 0.00 4.15 -1.77 0.46 115.11 119.14 1dfj h GLN 326 Ca 0.18 -0.09 -0.17 0.00 0.77 0.00 0.00 58.65 59.34 1dfj h GLN 326 Cb 0.20 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 1dfj h GLN 326 CO -0.04 0.56 -0.86 0.45 -1.93 0.00 0.00 178.83 177.01 1dfj h HIS 327 N 0.70 0.29 -0.74 3.99 3.86 -1.05 -3.13 115.15 119.07 1dfj h HIS 327 Ca 0.17 -0.21 0.15 0.00 -1.16 0.00 0.00 60.37 59.33 1dfj h HIS 327 Cb 0.10 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 28.46 1dfj h HIS 327 CO 0.01 1.33 0.23 0.28 0.86 0.00 0.00 177.93 180.64 1dfj h VAL 328 N -0.61 0.57 -0.22 2.45 2.07 0.31 -1.99 116.25 118.83 1dfj h VAL 328 Ca -0.19 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1dfj h VAL 328 Cb 1.46 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1dfj h VAL 328 CO 0.03 0.06 -0.17 0.77 0.02 0.00 0.00 177.57 178.28 1dfj h SER 329 N 0.33 0.53 -0.77 0.57 4.64 -1.04 -2.49 113.55 115.34 1dfj h SER 329 Ca 0.42 -0.45 0.06 0.00 -0.47 0.00 0.00 61.79 61.35 1dfj h SER 329 Cb 0.68 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.57 1dfj h SER 329 CO -0.47 0.87 0.46 -0.07 -0.87 0.00 0.00 176.83 176.75 1dfj h LEU 330 N 0.20 0.70 0.11 5.97 3.38 -1.38 -2.21 115.31 122.08 1dfj h LEU 330 Ca 0.04 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1dfj h LEU 330 Cb 0.70 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1dfj h LEU 330 CO 0.04 0.44 -0.07 -0.03 0.09 0.00 0.00 178.44 178.91 1dfj h MET 331 N 0.83 -0.18 -1.03 1.13 4.05 -1.31 -3.03 114.93 115.39 1dfj h MET 331 Ca 0.34 0.01 0.27 0.00 -0.28 0.00 0.00 59.70 60.04 1dfj h MET 331 Cb 0.20 0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 30.95 1dfj h MET 331 CO -0.18 -0.12 0.68 -0.07 0.23 0.00 0.00 176.91 177.45 1dfj h LEU 332 N -0.19 0.37 -0.08 3.39 3.38 -0.94 0.46 115.31 121.70 1dfj h LEU 332 Ca -0.01 0.06 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 1dfj h LEU 332 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1dfj h LEU 332 CO 0.01 0.08 -1.02 0.71 0.09 0.00 0.00 178.44 178.30 1dfj h THR 333 N 0.33 1.37 0.00 0.22 1.35 -1.33 -3.37 112.91 111.48 1dfj h THR 333 Ca 0.57 -2.47 -0.06 0.00 -0.55 0.00 0.00 66.41 63.91 1dfj h THR 333 Cb 1.57 2.49 -0.01 0.00 -1.73 0.00 0.00 68.15 70.47 1dfj h THR 333 CO -0.23 0.74 -1.48 0.00 -0.25 0.00 0.00 175.52 174.29 1dfj n GLN 334 N -3.75 0.63 -2.55 4.72 1.13 -0.71 -4.79 117.38 112.06 1dfj n GLN 334 Ca -0.08 0.03 -0.43 0.00 -1.94 0.00 0.00 57.00 54.58 1dfj n GLN 334 Cb 0.88 -1.71 -0.02 0.00 0.11 0.00 0.00 30.24 29.50 1dfj n GLN 334 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1dfj s ASN 335 N -5.19 7.00 -0.13 1.08 3.84 0.07 -4.96 114.94 116.65 1dfj s ASN 335 Ca -0.04 1.46 0.15 0.00 0.21 0.00 0.00 52.86 54.65 1dfj s ASN 335 Cb 0.11 -2.54 0.67 0.00 -0.55 0.00 0.00 41.25 38.94 1dfj s ASN 335 CO 0.83 -0.75 1.56 0.29 -2.79 0.00 0.00 177.10 176.24 1dfj n LYS 336 N 6.55 3.76 0.00 0.43 4.76 -1.26 -4.44 118.16 127.95 1dfj n LYS 336 Ca 0.13 -2.63 0.00 0.00 -2.87 0.00 0.00 58.31 52.94 1dfj n LYS 336 Cb 0.46 -1.94 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 1dfj n LYS 336 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1dfj n HIS 337 N 0.87 0.00 -2.79 2.13 8.25 -1.26 -5.05 115.22 117.37 1dfj n HIS 337 Ca 0.24 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.28 1dfj n HIS 337 Cb 0.90 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.97 1dfj n HIS 337 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1dfj s LEU 338 N -1.88 4.20 -0.05 2.41 2.96 -1.20 -4.08 118.68 121.04 1dfj s LEU 338 Ca 0.00 1.34 0.08 0.00 -0.22 0.00 0.00 54.13 55.33 1dfj s LEU 338 Cb 0.00 -3.39 -0.12 0.00 0.50 0.00 0.00 46.19 43.17 1dfj s LEU 338 CO 0.00 -0.44 0.12 0.18 -1.32 0.00 0.00 176.35 174.88 1dfj n LEU 339 N 5.25 0.00 -4.19 -0.68 4.77 0.41 -3.85 117.00 118.71 1dfj n LEU 339 Ca 0.07 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.80 1dfj n LEU 339 Cb 0.48 0.10 -0.15 0.00 -2.33 0.00 0.00 43.42 41.53 1dfj n LEU 339 CO 0.50 0.10 -0.51 -0.70 -1.33 0.00 0.00 177.39 175.46 1dfj s GLU 340 N -2.43 1.40 -0.21 3.23 2.12 -0.95 -0.80 118.70 121.06 1dfj s GLU 340 Ca -0.04 -0.73 -0.04 0.00 0.36 0.00 0.00 54.97 54.52 1dfj s GLU 340 Cb 0.04 -1.40 0.09 0.00 0.26 0.00 0.00 34.13 33.13 1dfj s GLU 340 CO 0.36 0.37 0.21 -1.17 -0.54 0.00 0.00 175.26 174.50 1dfj s LEU 341 N -0.68 -0.05 -0.43 2.70 2.96 -0.88 -2.35 118.68 119.95 1dfj s LEU 341 Ca 0.07 -0.36 -0.19 0.00 -0.22 0.00 0.00 54.13 53.43 1dfj s LEU 341 Cb -0.07 0.30 0.03 0.00 0.50 0.00 0.00 46.19 46.94 1dfj s LEU 341 CO 0.00 -0.34 0.52 -1.10 -1.32 0.00 0.00 176.35 174.11 1dfj s GLN 342 N 2.30 3.15 -0.05 1.98 -0.21 -1.03 -0.43 119.66 125.37 1dfj s GLN 342 Ca 0.07 -0.65 0.08 0.00 0.02 0.00 0.00 55.36 54.88 1dfj s GLN 342 Cb -0.16 -3.98 0.17 0.00 1.00 0.00 0.00 33.01 30.05 1dfj s GLN 342 CO -0.15 -0.94 1.11 1.28 -2.12 0.00 0.00 175.29 174.47 1dfj n LEU 343 N 5.85 2.38 -4.66 2.90 4.77 -0.39 -1.09 117.00 126.75 1dfj n LEU 343 Ca -0.05 -2.40 -0.35 0.00 -0.03 0.00 0.00 56.01 53.18 1dfj n LEU 343 Cb 0.47 -0.20 0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1dfj n LEU 343 CO 0.49 0.61 0.67 -1.20 -1.33 0.00 0.00 177.39 176.63 1dfj n SER 344 N -0.64 0.95 -3.79 -1.43 7.64 -1.14 -3.48 113.62 111.73 1dfj n SER 344 Ca 0.08 0.67 -0.27 0.00 1.01 0.00 0.00 58.87 60.36 1dfj n SER 344 Cb 0.44 -1.47 0.04 0.00 -1.01 0.00 0.00 64.21 62.22 1dfj n SER 344 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1dfj n SER 345 N -2.22 -4.76 -4.07 6.43 7.64 0.57 -0.80 113.62 116.41 1dfj n SER 345 Ca 0.14 -0.71 -0.25 0.00 1.01 0.00 0.00 58.87 59.06 1dfj n SER 345 Cb 0.49 -4.27 -0.16 0.00 -1.01 0.00 0.00 64.21 59.26 1dfj n SER 345 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1dfj s ASN 346 N -3.47 1.86 -1.17 6.43 0.01 -1.14 -3.27 114.94 114.20 1dfj s ASN 346 Ca 0.55 -0.31 -0.19 0.00 -0.71 0.00 0.00 52.86 52.20 1dfj s ASN 346 Cb -0.26 -0.65 -0.04 0.00 0.41 0.00 0.00 41.25 40.71 1dfj s ASN 346 CO 0.80 0.09 1.95 0.29 -1.51 0.00 0.00 177.10 178.72 1dfj n LYS 347 N 3.43 2.26 0.04 -0.60 5.02 -1.20 -4.12 118.16 122.99 1dfj n LYS 347 Ca -0.20 -2.55 -0.14 0.00 -2.02 0.00 0.00 58.31 53.40 1dfj n LYS 347 Cb 0.53 -3.37 -0.14 0.00 -0.02 0.00 0.00 35.03 32.03 1dfj n LYS 347 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1dfj h LEU 348 N 13.71 0.27 -0.19 -0.35 3.38 -1.79 -3.22 115.31 127.13 1dfj h LEU 348 Ca 0.41 -0.41 0.22 0.00 0.09 0.00 0.00 57.88 58.19 1dfj h LEU 348 Cb 0.79 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 1dfj h LEU 348 CO 1.62 1.35 -0.38 0.61 0.09 0.00 0.00 178.44 181.73 1dfj n GLY 349 N 1.64 -1.87 0.21 0.83 0.00 -0.03 -2.52 105.19 103.45 1dfj n GLY 349 Ca -0.16 -1.30 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 1dfj n GLY 349 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dfj h ASP 350 N -0.78 0.28 -1.00 1.61 3.32 -1.84 -2.67 116.42 115.34 1dfj h ASP 350 Ca -0.01 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.18 1dfj h ASP 350 Cb 0.77 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.25 1dfj h ASP 350 CO 0.01 0.19 0.64 0.77 -1.72 0.00 0.00 179.24 179.14 1dfj h SER 351 N 0.44 1.00 -0.44 6.45 4.64 -1.95 -2.19 113.55 121.51 1dfj h SER 351 Ca 0.25 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.46 1dfj h SER 351 Cb 0.23 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1dfj h SER 351 CO -0.22 0.61 -0.23 1.23 -0.87 0.00 0.00 176.83 177.35 1dfj h GLY 352 N 1.12 1.00 0.54 -0.77 0.00 -1.18 -3.12 103.07 100.66 1dfj h GLY 352 Ca 0.45 -0.91 0.07 0.00 0.00 0.00 0.00 47.33 46.94 1dfj h GLY 352 CO -0.20 0.83 0.27 -2.22 0.00 0.00 0.00 176.54 175.22 1dfj h ILE 353 N 0.76 0.86 -0.39 2.60 1.08 -1.14 -2.99 117.51 118.28 1dfj h ILE 353 Ca 0.09 -0.17 0.04 0.00 -0.39 0.00 0.00 64.86 64.43 1dfj h ILE 353 Cb 0.80 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 1dfj h ILE 353 CO 0.07 0.09 0.17 -0.61 -0.69 0.00 0.00 178.15 177.18 1dfj h GLN 354 N 0.49 0.34 -0.81 2.37 4.15 -1.42 0.15 115.11 120.38 1dfj h GLN 354 Ca 0.28 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.73 1dfj h GLN 354 Cb 0.27 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.84 1dfj h GLN 354 CO -0.24 0.23 0.53 0.93 -1.93 0.00 0.00 178.83 178.35 1dfj h GLU 355 N 0.36 0.92 0.61 1.69 5.08 -1.57 0.24 114.58 121.91 1dfj h GLU 355 Ca 0.17 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1dfj h GLU 355 Cb 0.11 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.15 1dfj h GLU 355 CO -0.14 0.61 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.12 1dfj h LEU 356 N 0.95 -0.69 -0.85 1.33 3.38 -1.14 0.52 115.31 118.80 1dfj h LEU 356 Ca 0.33 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.51 1dfj h LEU 356 Cb 0.12 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 40.93 1dfj h LEU 356 CO -0.11 -0.46 0.35 0.00 0.09 0.00 0.00 178.44 178.31 1dfj h GLN 358 N 0.40 0.38 0.42 0.00 4.20 -0.77 0.16 115.11 119.90 1dfj h GLN 358 Ca 0.51 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1dfj h GLN 358 Cb 0.92 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 1dfj h GLN 358 CO -0.50 0.79 -0.25 0.00 -0.67 0.00 0.00 178.83 178.19 1dfj h ALA 359 N 0.59 -0.64 -0.28 3.87 0.00 0.80 -2.82 119.26 120.78 1dfj h ALA 359 Ca 0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1dfj h ALA 359 Cb 0.73 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1dfj h ALA 359 CO 0.04 -0.87 0.02 -0.07 0.00 0.00 0.00 179.25 178.37 1dfj h LEU 360 N -0.64 0.38 0.00 0.00 3.38 -0.04 -2.29 115.31 116.10 1dfj h LEU 360 Ca -0.05 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1dfj h LEU 360 Cb 0.52 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1dfj h LEU 360 CO 0.05 0.44 0.00 -1.54 0.09 0.00 0.00 178.44 177.48 1dfj n SER 361 N -4.33 0.00 -4.64 -0.43 3.41 0.55 -4.66 113.62 103.52 1dfj n SER 361 Ca 0.01 0.34 -0.29 0.00 -0.26 0.00 0.00 58.87 58.67 1dfj n SER 361 Cb 0.21 -0.43 0.18 0.00 -0.26 0.00 0.00 64.21 63.91 1dfj n SER 361 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dfj s GLN 362 N -2.85 0.38 0.35 4.33 -1.52 -0.86 -4.37 119.66 115.12 1dfj s GLN 362 Ca 0.10 0.82 -0.27 0.00 -1.95 0.00 0.00 55.36 54.07 1dfj s GLN 362 Cb 0.11 -1.71 -0.09 0.00 -0.22 0.00 0.00 33.01 31.10 1dfj s GLN 362 CO 0.28 -2.84 1.12 -1.25 -0.25 0.00 0.00 175.29 172.35 1dfj s PRO 363 N -4.78 4.31 0.00 2.91 0.04 -1.26 -3.84 135.00 132.39 1dfj s PRO 363 Ca 0.66 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1dfj s PRO 363 Cb -0.21 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1dfj s PRO 363 CO 0.59 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.97 1dfj n GLY 364 N 0.77 1.35 3.42 0.56 0.00 -1.26 -5.03 105.19 105.00 1dfj n GLY 364 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1dfj n GLY 364 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dfj n THR 365 N -2.00 0.67 0.00 2.61 -2.24 -1.25 -4.96 114.28 107.11 1dfj n THR 365 Ca 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1dfj n THR 365 Cb 0.00 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1dfj n THR 365 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1dfj n THR 366 N -3.10 0.00 -1.67 4.28 -2.24 -1.26 -4.52 114.28 105.77 1dfj n THR 366 Ca 0.08 0.00 -0.54 0.00 -2.27 0.00 0.00 64.05 61.31 1dfj n THR 366 Cb 0.52 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 1dfj n THR 366 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1dfj n LEU 367 N -1.33 2.26 -0.05 3.22 7.94 -1.25 -4.80 117.00 122.99 1dfj n LEU 367 Ca 0.00 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 1dfj n LEU 367 Cb 0.19 -1.19 -0.16 0.00 0.53 0.00 0.00 43.42 42.80 1dfj n LEU 367 CO 0.00 -0.60 -0.89 0.54 -1.11 0.00 0.00 177.39 175.33 1dfj n ARG 368 N 4.44 0.67 -4.58 1.96 1.74 -0.31 -3.44 116.66 117.14 1dfj n ARG 368 Ca 0.23 -0.07 -0.23 0.00 -0.77 0.00 0.00 57.85 57.01 1dfj n ARG 368 Cb 0.17 -1.55 -0.16 0.00 -1.02 0.00 0.00 32.46 29.90 1dfj n ARG 368 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1dfj s VAL 369 N -2.99 1.07 -0.15 1.55 1.01 0.02 -0.45 120.40 120.46 1dfj s VAL 369 Ca -0.08 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1dfj s VAL 369 Cb 0.10 -0.93 0.06 0.00 0.00 0.00 0.00 36.38 35.61 1dfj s VAL 369 CO 0.86 0.32 0.13 -0.22 0.00 0.00 0.00 175.10 176.19 1dfj s LEU 370 N 0.17 0.14 -0.38 3.92 2.96 -1.12 -2.07 118.68 122.30 1dfj s LEU 370 Ca -0.04 -0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 53.49 1dfj s LEU 370 Cb -0.10 0.01 0.04 0.00 0.50 0.00 0.00 46.19 46.63 1dfj s LEU 370 CO 0.01 -0.31 0.22 0.00 -1.32 0.00 0.00 176.35 174.94 1dfj n LEU 372 N 4.98 6.54 -4.76 0.00 4.77 0.26 -1.26 117.00 127.52 1dfj n LEU 372 Ca -0.12 -4.12 -0.41 0.00 -0.03 0.00 0.00 56.01 51.34 1dfj n LEU 372 Cb 0.45 -0.80 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1dfj n LEU 372 CO 0.37 1.43 1.08 0.61 -1.33 0.00 0.00 177.39 179.55 1dfj n GLY 373 N -0.98 1.05 3.88 -0.72 0.00 -1.23 -3.78 105.19 103.41 1dfj n GLY 373 Ca 0.55 0.24 -0.33 0.00 0.00 0.00 0.00 46.02 46.48 1dfj n GLY 373 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dfj n ASP 374 N 0.14 -4.01 -0.34 1.61 2.03 -0.42 -0.31 116.55 115.25 1dfj n ASP 374 Ca 0.04 -1.04 0.07 0.00 0.52 0.00 0.00 54.79 54.37 1dfj n ASP 374 Cb 0.40 -1.43 0.13 0.00 -0.72 0.00 0.00 41.12 39.49 1dfj n ASP 374 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dfj n GLU 376 N -1.03 -5.03 -3.34 0.00 -0.58 -1.26 -0.85 120.64 108.55 1dfj n GLU 376 Ca 0.14 0.61 -0.38 0.00 -0.42 0.00 0.00 57.16 57.10 1dfj n GLU 376 Cb 0.69 -4.92 -0.06 0.00 -0.57 0.00 0.00 31.44 26.58 1dfj n GLU 376 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1dfj s VAL 377 N -3.16 4.91 0.36 2.62 1.01 -1.26 -3.64 120.40 121.24 1dfj s VAL 377 Ca 0.36 1.07 0.03 0.00 0.00 0.00 0.00 61.98 63.44 1dfj s VAL 377 Cb -0.16 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.41 1dfj s VAL 377 CO 0.44 0.51 0.21 0.35 0.00 0.00 0.00 175.10 176.61 1dfj n THR 378 N 2.17 0.00 -0.29 3.92 -2.24 -1.26 -0.23 114.28 116.34 1dfj n THR 378 Ca -0.10 -1.48 0.09 0.00 -2.27 0.00 0.00 64.05 60.29 1dfj n THR 378 Cb 0.51 -0.07 0.32 0.00 -2.10 0.00 0.00 70.33 68.99 1dfj n THR 378 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1dfj h ASN 379 N 0.52 0.76 0.81 3.42 2.35 -1.94 0.26 115.58 121.76 1dfj h ASN 379 Ca -0.24 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1dfj h ASN 379 Cb 0.84 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1dfj h ASN 379 CO 0.39 0.41 0.00 -1.20 -1.65 0.00 0.00 177.43 175.38 1dfj n SER 380 N -4.56 0.71 0.09 5.81 7.64 -1.26 -2.68 113.62 119.37 1dfj n SER 380 Ca 0.17 0.66 0.11 0.00 1.01 0.00 0.00 58.87 60.82 1dfj n SER 380 Cb 0.39 -0.82 -0.02 0.00 -1.01 0.00 0.00 64.21 62.76 1dfj n SER 380 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dfj n GLY 381 N 0.12 -1.42 0.20 0.23 0.00 0.90 -3.38 105.19 101.84 1dfj n GLY 381 Ca 0.02 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.95 1dfj n GLY 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfj h SER 383 N 0.00 0.00 0.30 0.00 0.87 -1.65 0.69 113.55 113.77 1dfj h SER 383 Ca 0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 1dfj h SER 383 Cb 0.47 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 1dfj h SER 383 CO 0.00 0.27 -1.78 0.28 -0.53 0.00 0.00 176.83 175.06 1dfj h SER 384 N 0.00 0.34 -0.39 6.23 0.02 -1.64 -3.11 113.55 115.00 1dfj h SER 384 Ca -0.00 -0.63 -0.07 0.00 -0.84 0.00 0.00 61.79 60.25 1dfj h SER 384 Cb 0.72 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1dfj h SER 384 CO 0.03 1.55 0.00 -0.07 -1.14 0.00 0.00 176.83 177.21 1dfj h LEU 385 N 0.06 0.74 0.61 5.07 3.38 -1.25 -0.62 115.31 123.29 1dfj h LEU 385 Ca -0.34 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 1dfj h LEU 385 Cb 2.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1dfj h LEU 385 CO 0.12 0.80 -0.32 0.00 0.09 0.00 0.00 178.44 179.12 1dfj h ALA 386 N 1.28 -0.87 -0.87 1.53 0.00 0.34 0.25 119.26 120.93 1dfj h ALA 386 Ca 0.14 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1dfj h ALA 386 Cb 0.44 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1dfj h ALA 386 CO 0.02 -0.99 0.57 0.77 0.00 0.00 0.00 179.25 179.61 1dfj h SER 387 N -0.86 0.91 0.19 0.00 0.02 -1.46 -2.17 113.55 110.16 1dfj h SER 387 Ca -0.08 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1dfj h SER 387 Cb 0.68 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1dfj h SER 387 CO 0.11 0.61 -0.21 0.25 -1.14 0.00 0.00 176.83 176.45 1dfj h LEU 388 N 1.04 -0.57 -2.08 5.07 5.85 -0.46 -2.51 115.31 121.66 1dfj h LEU 388 Ca 0.35 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.23 1dfj h LEU 388 Cb 0.09 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1dfj h LEU 388 CO -0.11 -0.31 0.28 -0.07 -0.34 0.00 0.00 178.44 177.89 1dfj h LEU 389 N -0.44 0.00 0.11 2.25 3.38 0.12 -0.99 115.31 119.73 1dfj h LEU 389 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1dfj h LEU 389 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1dfj h LEU 389 CO -0.07 0.00 -0.05 -0.07 0.09 0.00 0.00 178.44 178.34 1dfj h LEU 390 N 0.00 -0.12 -0.53 1.67 3.38 -1.25 -3.39 115.31 115.06 1dfj h LEU 390 Ca 0.16 -0.37 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 1dfj h LEU 390 Cb 0.72 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1dfj h LEU 390 CO -0.00 0.50 -0.70 0.00 0.09 0.00 0.00 178.44 178.32 1dfj h ALA 391 N -0.48 0.79 -2.70 1.53 0.00 -1.15 -3.46 119.26 113.79 1dfj h ALA 391 Ca -0.02 -0.64 -0.52 0.00 0.00 0.00 0.00 54.91 53.74 1dfj h ALA 391 Cb 0.49 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1dfj h ALA 391 CO 0.02 0.88 0.26 1.21 0.00 0.00 0.00 179.25 181.62 1dfj s ASN 392 N -6.75 7.46 -0.14 0.00 3.84 -0.40 -4.85 114.94 114.09 1dfj s ASN 392 Ca -0.00 1.73 0.14 0.00 0.21 0.00 0.00 52.86 54.94 1dfj s ASN 392 Cb 0.12 -2.54 -0.20 0.00 -0.55 0.00 0.00 41.25 38.07 1dfj s ASN 392 CO 0.77 0.12 0.09 0.54 -2.79 0.00 0.00 177.10 175.84 1dfj n ARG 393 N 1.94 1.34 0.01 0.43 1.74 -1.26 -4.71 116.66 116.15 1dfj n ARG 393 Ca -0.03 -0.03 -0.04 0.00 -0.77 0.00 0.00 57.85 56.99 1dfj n ARG 393 Cb 0.48 -1.40 0.19 0.00 -1.02 0.00 0.00 32.46 30.72 1dfj n ARG 393 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1dfj h SER 394 N 0.00 0.50 -2.53 0.55 4.64 -1.86 -3.45 113.55 111.41 1dfj h SER 394 Ca -0.37 -0.17 -0.53 0.00 -0.47 0.00 0.00 61.79 60.25 1dfj h SER 394 Cb 1.81 -0.14 0.02 0.00 -0.31 0.00 0.00 62.40 63.77 1dfj h SER 394 CO 0.02 0.75 1.12 -0.76 -0.87 0.00 0.00 176.83 177.09 1dfj s LEU 395 N -8.68 4.38 -0.09 5.97 1.43 -1.22 -4.38 118.68 116.09 1dfj s LEU 395 Ca -0.07 2.53 0.17 0.00 -1.03 0.00 0.00 54.13 55.73 1dfj s LEU 395 Cb 0.14 -3.54 -0.25 0.00 0.03 0.00 0.00 46.19 42.57 1dfj s LEU 395 CO 0.79 -0.97 0.24 0.54 0.23 0.00 0.00 176.35 177.18 1dfj n ARG 396 N 6.69 0.87 -3.84 1.70 5.12 0.41 -3.43 116.66 124.17 1dfj n ARG 396 Ca 0.18 -0.10 -0.12 0.00 -1.93 0.00 0.00 57.85 55.88 1dfj n ARG 396 Cb 0.41 -1.43 -0.12 0.00 -1.16 0.00 0.00 32.46 30.16 1dfj n ARG 396 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1dfj s GLU 397 N -2.87 0.19 -0.22 5.56 2.12 -0.61 -1.79 118.70 121.08 1dfj s GLU 397 Ca -0.07 0.05 -0.04 0.00 0.36 0.00 0.00 54.97 55.26 1dfj s GLU 397 Cb 0.09 0.09 0.07 0.00 0.26 0.00 0.00 34.13 34.64 1dfj s GLU 397 CO 0.72 -0.03 0.09 -1.17 -0.54 0.00 0.00 175.26 174.33 1dfj s LEU 398 N -0.21 0.70 -0.01 2.70 2.96 -1.10 -2.79 118.68 120.93 1dfj s LEU 398 Ca -0.03 -0.92 -0.16 0.00 -0.22 0.00 0.00 54.13 52.80 1dfj s LEU 398 Cb -0.02 -0.39 -0.06 0.00 0.50 0.00 0.00 46.19 46.23 1dfj s LEU 398 CO 0.00 -0.37 0.45 -0.62 -1.32 0.00 0.00 176.35 174.49 1dfj s ASP 399 N 2.04 6.84 0.00 3.68 -1.08 -0.72 -0.74 116.67 126.68 1dfj s ASP 399 Ca 0.04 0.99 0.02 0.00 -0.52 0.00 0.00 52.55 53.09 1dfj s ASP 399 Cb -0.16 -2.28 0.04 0.00 -1.46 0.00 0.00 42.92 39.06 1dfj s ASP 399 CO -0.18 0.26 0.85 0.18 0.52 0.00 0.00 175.17 176.80 1dfj n LEU 400 N 2.12 0.03 -4.71 -1.34 4.77 0.31 -0.58 117.00 117.60 1dfj n LEU 400 Ca -0.12 -1.15 -0.31 0.00 -0.03 0.00 0.00 56.01 54.39 1dfj n LEU 400 Cb 0.52 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.75 1dfj n LEU 400 CO 0.39 0.60 0.69 -0.44 -1.33 0.00 0.00 177.39 177.30 1dfj s SER 401 N -0.76 3.50 -1.29 -1.43 0.01 -1.07 -3.98 113.70 108.67 1dfj s SER 401 Ca 0.03 2.06 -0.02 0.00 1.31 0.00 0.00 55.95 59.33 1dfj s SER 401 Cb 0.04 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.72 1dfj s SER 401 CO -0.02 -2.72 0.90 0.59 0.41 0.00 0.00 173.24 172.41 1dfj n ASN 402 N -3.97 -2.44 -3.41 2.44 3.02 -1.14 -1.30 115.26 108.47 1dfj n ASN 402 Ca 0.11 -0.70 -0.18 0.00 -0.03 0.00 0.00 54.58 53.77 1dfj n ASN 402 Cb 0.52 -4.60 -0.04 0.00 -0.61 0.00 0.00 39.78 35.05 1dfj n ASN 402 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1dfj n ASN 403 N -3.06 2.29 -2.20 6.41 3.02 -1.26 -3.18 115.26 117.28 1dfj n ASN 403 Ca -0.23 -2.35 -0.29 0.00 -0.03 0.00 0.00 54.58 51.68 1dfj n ASN 403 Cb 0.65 0.35 0.10 0.00 -0.61 0.00 0.00 39.78 40.27 1dfj n ASN 403 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dfj s VAL 405 N -3.93 4.44 0.00 0.00 1.01 -1.24 -3.85 120.40 116.82 1dfj s VAL 405 Ca 0.56 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.98 1dfj s VAL 405 Cb 0.45 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1dfj s VAL 405 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1dfj n GLY 406 N 0.32 5.43 0.43 4.51 0.00 -1.26 -4.54 105.19 110.09 1dfj n GLY 406 Ca 0.01 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 1dfj n GLY 406 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dfj h ASP 407 N 0.00 -0.99 -0.24 1.61 3.32 -1.98 -2.32 116.42 115.82 1dfj h ASP 407 Ca 0.00 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.17 1dfj h ASP 407 Cb 0.00 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1dfj h ASP 407 CO 0.00 -0.62 0.22 1.55 -1.72 0.00 0.00 179.24 178.67 1dfj h PRO 408 N -1.00 0.00 0.50 3.56 0.13 -1.98 -0.35 132.00 132.87 1dfj h PRO 408 Ca -0.08 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 1dfj h PRO 408 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1dfj h PRO 408 CO 0.10 0.00 -0.24 0.78 -0.23 0.00 0.00 178.00 178.40 1dfj h GLY 409 N 0.00 -0.70 0.49 1.56 0.00 -1.71 -2.43 103.07 100.28 1dfj h GLY 409 Ca 0.12 0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.73 1dfj h GLY 409 CO -0.00 -0.26 -0.25 -2.08 0.00 0.00 0.00 176.54 173.95 1dfj h VAL 410 N -1.07 0.44 -1.01 4.60 2.07 -0.86 -0.44 116.25 119.97 1dfj h VAL 410 Ca -0.07 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.76 1dfj h VAL 410 Cb 0.59 0.44 -0.14 0.00 -1.52 0.00 0.00 31.29 30.65 1dfj h VAL 410 CO 0.11 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 178.22 1dfj h LEU 411 N -0.42 0.55 -0.78 2.57 3.38 -1.15 1.88 115.31 121.35 1dfj h LEU 411 Ca 0.05 0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1dfj h LEU 411 Cb 0.48 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1dfj h LEU 411 CO -0.19 -0.07 -0.25 1.56 0.09 0.00 0.00 178.44 179.58 1dfj h GLN 412 N 0.38 0.00 0.00 1.13 4.20 -0.59 -0.83 115.11 119.41 1dfj h GLN 412 Ca 0.71 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.36 1dfj h GLN 412 Cb 1.58 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.37 1dfj h GLN 412 CO -0.56 0.25 -0.25 -0.07 -0.67 0.00 0.00 178.83 177.53 1dfj h LEU 413 N 0.00 0.21 -0.59 1.46 3.38 0.35 -3.30 115.31 116.82 1dfj h LEU 413 Ca -0.00 -0.79 0.07 0.00 0.09 0.00 0.00 57.88 57.25 1dfj h LEU 413 Cb 0.90 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 1dfj h LEU 413 CO 0.03 0.97 0.27 -0.07 0.09 0.00 0.00 178.44 179.74 1dfj h LEU 414 N -0.52 0.35 -0.89 1.67 3.38 0.24 -1.03 115.31 118.50 1dfj h LEU 414 Ca -0.03 0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.19 1dfj h LEU 414 Cb 1.01 -0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.59 1dfj h LEU 414 CO 0.05 0.22 -0.11 1.23 0.09 0.00 0.00 178.44 179.92 1dfj h GLY 415 N 0.50 0.84 1.59 0.83 0.00 -1.23 0.37 103.07 105.97 1dfj h GLY 415 Ca 0.28 0.22 -0.18 0.00 0.00 0.00 0.00 47.33 47.66 1dfj h GLY 415 CO -0.23 -0.37 -0.70 1.76 0.00 0.00 0.00 176.54 176.99 1dfj h SER 416 N 0.02 0.47 -0.12 0.19 0.02 -1.31 -3.17 113.55 109.66 1dfj h SER 416 Ca 0.47 -0.30 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 1dfj h SER 416 Cb 0.82 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.22 1dfj h SER 416 CO -0.87 1.03 -0.46 -0.07 -1.14 0.00 0.00 176.83 175.32 1dfj h LEU 417 N 0.28 0.61 -1.59 5.07 3.38 0.04 -3.15 115.31 119.94 1dfj h LEU 417 Ca -0.02 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1dfj h LEU 417 Cb 1.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1dfj h LEU 417 CO 0.12 1.13 0.00 -0.33 0.09 0.00 0.00 178.44 179.45 1dfj h GLU 418 N 0.12 0.00 -7.28 1.13 5.08 -0.45 -3.44 114.58 109.75 1dfj h GLU 418 Ca -0.02 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.93 1dfj h GLU 418 Cb 1.09 0.00 0.20 0.00 0.50 0.00 0.00 28.75 30.54 1dfj h GLU 418 CO 0.10 0.00 0.06 -0.65 -1.00 0.00 0.00 179.01 177.52 1dfj s GLN 419 N -3.63 -1.57 -0.11 2.33 -1.52 -1.19 -5.02 119.66 108.96 1dfj s GLN 419 Ca -0.01 0.09 -0.16 0.00 -1.95 0.00 0.00 55.36 53.32 1dfj s GLN 419 Cb 0.08 -1.54 -0.27 0.00 -0.22 0.00 0.00 33.01 31.06 1dfj s GLN 419 CO 0.29 -3.98 0.55 -1.35 -0.25 0.00 0.00 175.29 170.56 1dfj h PRO 420 N -2.77 0.24 0.00 2.91 0.11 -1.87 -3.39 132.00 127.22 1dfj h PRO 420 Ca -0.46 -0.41 0.00 0.00 0.11 0.00 0.00 66.00 65.24 1dfj h PRO 420 Cb 1.31 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.57 1dfj h PRO 420 CO 0.35 1.19 0.00 0.41 -0.21 0.00 0.00 178.00 179.75 1dfj n GLY 421 N 1.74 -0.92 3.68 -0.55 0.00 -1.26 -4.91 105.19 102.96 1dfj n GLY 421 Ca -0.25 -0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.17 1dfj n GLY 421 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfj n ALA 423 N 6.27 3.19 -1.11 0.00 0.00 -1.26 -4.98 120.51 122.62 1dfj n ALA 423 Ca 0.20 -0.36 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 1dfj n ALA 423 Cb 0.34 -1.01 0.08 0.00 0.00 0.00 0.00 19.45 18.86 1dfj n ALA 423 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1dfj n LEU 424 N -2.08 -0.36 0.00 0.00 7.94 -1.22 -4.76 117.00 116.52 1dfj n LEU 424 Ca 0.02 0.48 0.00 0.00 -1.11 0.00 0.00 56.01 55.40 1dfj n LEU 424 Cb 0.46 -1.15 0.00 0.00 0.53 0.00 0.00 43.42 43.26 1dfj n LEU 424 CO 0.40 -3.63 -0.45 -0.62 -1.11 0.00 0.00 177.39 171.97 1dfj n GLU 425 N -0.57 0.00 -4.54 1.96 1.02 -0.74 -4.90 120.64 112.88 1dfj n GLU 425 Ca 0.08 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.00 1dfj n GLU 425 Cb 0.51 -0.78 -0.15 0.00 -0.02 0.00 0.00 31.44 31.01 1dfj n GLU 425 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1dfj s GLN 426 N -1.94 1.06 -0.21 3.49 -0.21 -0.96 -0.79 119.66 120.10 1dfj s GLN 426 Ca 0.00 -0.42 0.01 0.00 0.02 0.00 0.00 55.36 54.97 1dfj s GLN 426 Cb 0.00 -1.01 0.05 0.00 1.00 0.00 0.00 33.01 33.05 1dfj s GLN 426 CO 0.00 0.23 -0.11 -1.17 -2.12 0.00 0.00 175.29 172.12 1dfj s LEU 427 N -0.15 2.50 -0.32 2.90 2.96 -0.71 -2.71 118.68 123.16 1dfj s LEU 427 Ca 0.02 -0.99 -0.15 0.00 -0.22 0.00 0.00 54.13 52.79 1dfj s LEU 427 Cb -0.06 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.31 1dfj s LEU 427 CO -0.00 -0.15 0.38 -0.69 -1.32 0.00 0.00 176.35 174.57 1dfj s VAL 428 N 1.34 5.15 -0.44 1.68 1.01 0.08 -2.22 120.40 127.00 1dfj s VAL 428 Ca -0.03 0.27 0.10 0.00 0.00 0.00 0.00 61.98 62.33 1dfj s VAL 428 Cb -0.17 -3.79 0.36 0.00 0.00 0.00 0.00 36.38 32.78 1dfj s VAL 428 CO -0.08 -0.02 0.85 0.18 0.00 0.00 0.00 175.10 176.04 1dfj n LEU 429 N 5.41 2.35 -4.76 3.92 4.77 -0.29 -0.53 117.00 127.86 1dfj n LEU 429 Ca -0.08 -5.09 -0.35 0.00 -0.03 0.00 0.00 56.01 50.46 1dfj n LEU 429 Cb 0.50 0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.81 1dfj n LEU 429 CO 0.40 2.22 0.79 -0.31 -1.33 0.00 0.00 177.39 179.16 1dfj s TYR 430 N -2.93 2.54 -1.87 -1.77 2.02 -1.24 -3.62 117.35 110.49 1dfj s TYR 430 Ca 0.42 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.66 1dfj s TYR 430 Cb 0.34 -3.32 0.00 0.00 -0.40 0.00 0.00 41.96 38.58 1dfj s TYR 430 CO -0.09 -1.84 0.00 -0.25 -1.57 0.00 0.00 175.55 171.79 1dfj n ASP 431 N -1.77 -5.67 -4.53 2.29 8.00 -1.26 -2.88 116.55 110.73 1dfj n ASP 431 Ca 0.12 0.15 -0.33 0.00 0.71 0.00 0.00 54.79 55.43 1dfj n ASP 431 Cb 0.51 -4.80 -0.12 0.00 -0.02 0.00 0.00 41.12 36.68 1dfj n ASP 431 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dfj s THR 432 N -2.93 3.42 -0.15 -3.53 2.01 -1.24 -4.57 115.64 108.66 1dfj s THR 432 Ca 0.00 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 1dfj s THR 432 Cb 0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1dfj s THR 432 CO 0.00 0.59 0.06 -0.47 -0.69 0.00 0.00 174.62 174.11 1dfj s TYR 433 N -0.72 3.30 0.06 4.92 5.04 -1.26 -5.09 117.35 123.60 1dfj s TYR 433 Ca 0.11 0.20 -0.19 0.00 -2.44 0.00 0.00 57.07 54.74 1dfj s TYR 433 Cb -0.11 -1.98 0.04 0.00 0.35 0.00 0.00 41.96 40.26 1dfj s TYR 433 CO 0.01 0.35 0.45 1.67 -1.34 0.00 0.00 175.55 176.70 1dfj s TRP 434 N -0.23 -0.32 0.47 4.97 -2.14 -1.26 -4.34 118.94 116.09 1dfj s TRP 434 Ca 0.08 0.26 0.03 0.00 2.66 0.00 0.00 56.10 59.13 1dfj s TRP 434 Cb -0.12 0.28 0.01 0.00 -3.10 0.00 0.00 33.47 30.54 1dfj s TRP 434 CO 0.01 -0.63 0.66 0.95 -2.66 0.00 0.00 176.95 175.29 1dfj s THR 435 N -2.72 3.25 0.24 0.66 -4.23 -1.26 -4.84 115.64 106.74 1dfj s THR 435 Ca -0.04 -0.75 -0.13 0.00 -1.18 0.00 0.00 61.69 59.60 1dfj s THR 435 Cb -0.00 -3.17 0.32 0.00 1.34 0.00 0.00 72.50 70.99 1dfj s THR 435 CO -0.04 -0.10 1.49 -0.62 -0.54 0.00 0.00 174.62 174.81 1dfj n GLU 436 N -2.07 -0.16 -0.21 3.99 -0.58 -1.26 -0.58 120.64 119.77 1dfj n GLU 436 Ca 0.05 1.48 -0.02 0.00 -0.42 0.00 0.00 57.16 58.25 1dfj n GLU 436 Cb 0.59 -2.20 0.04 0.00 -0.57 0.00 0.00 31.44 29.30 1dfj n GLU 436 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1dfj h GLU 437 N 0.00 -0.07 -0.11 3.49 3.07 -1.99 0.49 114.58 119.46 1dfj h GLU 437 Ca 0.39 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.21 1dfj h GLU 437 Cb 0.63 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1dfj h GLU 437 CO -0.97 -0.05 -0.11 0.28 -1.40 0.00 0.00 179.01 176.77 1dfj h VAL 438 N -0.07 1.36 -0.44 3.13 2.07 -1.23 -2.53 116.25 118.54 1dfj h VAL 438 Ca 0.28 -1.26 0.12 0.00 0.82 0.00 0.00 66.70 66.65 1dfj h VAL 438 Cb 0.51 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1dfj h VAL 438 CO -0.66 0.36 0.31 -0.08 0.02 0.00 0.00 177.57 177.52 1dfj h GLU 439 N -0.14 0.06 0.00 1.57 4.57 0.42 0.28 114.58 121.34 1dfj h GLU 439 Ca 0.02 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1dfj h GLU 439 Cb 0.62 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1dfj h GLU 439 CO 0.03 0.04 -0.00 -0.44 -1.18 0.00 0.00 179.01 177.45 1dfj h ASP 440 N 0.06 -0.00 -0.11 1.04 3.32 0.07 0.34 116.42 121.14 1dfj h ASP 440 Ca 0.21 -0.61 0.03 0.00 0.02 0.00 0.00 57.03 56.68 1dfj h ASP 440 Cb 0.75 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 1dfj h ASP 440 CO -0.01 0.61 0.10 0.03 -1.72 0.00 0.00 179.24 178.25 1dfj h ARG 441 N -0.61 0.00 0.19 3.56 -0.00 -0.69 0.73 114.38 117.56 1dfj h ARG 441 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 1dfj h ARG 441 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.58 1dfj h ARG 441 CO 0.00 0.00 -0.09 1.25 0.00 0.00 0.00 179.97 181.13 1dfj h LEU 442 N 0.00 -0.22 -1.83 3.04 5.85 -0.25 0.46 115.31 122.37 1dfj h LEU 442 Ca 0.05 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1dfj h LEU 442 Cb 0.26 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1dfj h LEU 442 CO -0.00 0.28 0.04 1.56 -0.34 0.00 0.00 178.44 179.98 1dfj h GLN 443 N -1.04 0.00 0.05 1.25 1.08 0.54 0.76 115.11 117.74 1dfj h GLN 443 Ca -0.03 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.97 1dfj h GLN 443 Cb 0.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1dfj h GLN 443 CO 0.04 0.00 -1.08 0.00 -0.95 0.00 0.00 178.83 176.84 1dfj h ALA 444 N 1.90 0.18 -0.21 3.87 0.00 0.53 -3.09 119.26 122.44 1dfj h ALA 444 Ca 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 54.91 53.79 1dfj h ALA 444 Cb 0.08 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1dfj h ALA 444 CO 0.00 0.62 -0.31 1.25 0.00 0.00 0.00 179.25 180.81 1dfj h LEU 445 N -0.70 0.42 0.00 0.00 5.85 0.99 0.60 115.31 122.47 1dfj h LEU 445 Ca -0.26 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1dfj h LEU 445 Cb 1.44 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1dfj h LEU 445 CO -0.05 0.72 0.00 -0.62 -0.34 0.00 0.00 178.44 178.14 1dfj n GLU 446 N -4.09 0.39 -0.13 1.25 1.02 0.25 -2.07 120.64 117.26 1dfj n GLU 446 Ca -0.01 0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 56.91 1dfj n GLU 446 Cb 0.43 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.25 1dfj n GLU 446 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dfj n GLY 447 N -0.14 -0.42 0.07 0.62 0.00 0.15 -4.29 105.19 101.18 1dfj n GLY 447 Ca 0.10 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1dfj n GLY 447 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1dfj h SER 448 N -0.56 -0.06 -3.70 1.61 0.02 -0.84 -3.36 113.55 106.65 1dfj h SER 448 Ca -0.65 -0.11 -0.66 0.00 -0.84 0.00 0.00 61.79 59.54 1dfj h SER 448 Cb 1.74 0.02 -0.40 0.00 0.14 0.00 0.00 62.40 63.89 1dfj h SER 448 CO -0.28 0.07 -0.72 -0.54 -1.14 0.00 0.00 176.83 174.22 1dfj s LYS 449 N -5.72 1.47 0.25 3.45 1.02 -1.00 -4.97 119.74 114.24 1dfj s LYS 449 Ca -0.14 -1.88 0.25 0.00 0.02 0.00 0.00 55.97 54.22 1dfj s LYS 449 Cb 0.05 -3.16 0.63 0.00 -0.52 0.00 0.00 37.83 34.83 1dfj s LYS 449 CO 0.66 -0.95 1.66 -1.00 -0.92 0.00 0.00 175.35 174.80 1dfj h PRO 450 N 7.57 0.00 -0.84 -1.68 0.13 -1.75 -3.32 132.00 132.12 1dfj h PRO 450 Ca -0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1dfj h PRO 450 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1dfj h PRO 450 CO 0.53 0.00 0.02 0.41 -0.23 0.00 0.00 178.00 178.73 1dfj n GLY 451 N 1.26 2.22 2.90 1.56 0.00 -1.26 -4.66 105.19 107.22 1dfj n GLY 451 Ca 0.05 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 1dfj n GLY 451 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dfj s LEU 452 N -1.21 1.16 -0.09 0.99 2.96 -1.25 -4.83 118.68 116.42 1dfj s LEU 452 Ca 0.24 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1dfj s LEU 452 Cb 0.18 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 1dfj s LEU 452 CO 0.07 -0.11 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.84 1dfj s ARG 453 N 1.65 2.97 -0.30 1.98 0.52 0.03 -4.90 118.95 120.90 1dfj s ARG 453 Ca 0.03 -0.44 0.03 0.00 -0.52 0.00 0.00 55.73 54.84 1dfj s ARG 453 Cb -0.13 -2.76 0.08 0.00 0.52 0.00 0.00 34.95 32.66 1dfj s ARG 453 CO -0.07 0.68 -0.01 0.08 0.02 0.00 0.00 175.30 176.00 1dfj s VAL 454 N -0.82 2.03 0.09 3.52 1.01 -1.26 -1.74 120.40 123.22 1dfj s VAL 454 Ca 0.12 -1.90 -0.09 0.00 0.00 0.00 0.00 61.98 60.11 1dfj s VAL 454 Cb -0.11 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 1dfj s VAL 454 CO 0.02 -0.37 0.40 -0.63 0.00 0.00 0.00 175.10 174.52 1dfj s ILE 455 N 1.09 5.10 0.00 2.22 1.01 -0.94 -4.98 121.20 124.69 1dfj s ILE 455 Ca 0.03 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1dfj s ILE 455 Cb -0.19 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1dfj s ILE 455 CO -0.08 0.26 0.00 -1.54 0.00 0.00 0.00 174.94 173.58