#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijx s ALA 2 N 0.00 3.76 0.91 0.00 0.00 -1.26 -5.06 121.76 120.11 1ijx s ALA 2 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 51.96 51.42 1ijx s ALA 2 Cb 0.00 -2.22 0.14 0.00 0.00 0.00 0.00 23.12 21.04 1ijx s ALA 2 CO 0.00 0.59 1.09 0.00 0.00 0.00 0.00 175.76 177.44 1ijx s GLU 4 N -4.84 0.68 0.68 0.00 -1.05 -0.40 -4.97 118.70 108.79 1ijx s GLU 4 Ca 0.64 -0.20 -0.16 0.00 -0.15 0.00 0.00 54.97 55.10 1ijx s GLU 4 Cb -0.19 0.30 0.01 0.00 -0.44 0.00 0.00 34.13 33.81 1ijx s GLU 4 CO 0.58 -0.19 1.18 -1.25 0.95 0.00 0.00 175.26 176.53 1ijx s PRO 5 N -1.38 2.54 0.14 -4.83 0.04 -1.26 -0.46 135.00 129.78 1ijx s PRO 5 Ca -0.13 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 1ijx s PRO 5 Cb -0.05 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 1ijx s PRO 5 CO 0.04 -1.51 1.28 0.08 0.04 0.00 0.00 177.00 176.93 1ijx s VAL 6 N -2.00 3.50 -0.50 -0.36 1.01 0.33 -4.70 120.40 117.69 1ijx s VAL 6 Ca 0.73 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.91 1ijx s VAL 6 Cb -0.27 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.42 1ijx s VAL 6 CO 0.41 0.13 0.70 0.54 0.00 0.00 0.00 175.10 176.88 1ijx n ARG 7 N 3.26 0.05 -2.56 2.72 1.74 -1.26 -4.97 116.66 115.63 1ijx n ARG 7 Ca 0.08 -0.88 -0.43 0.00 -0.77 0.00 0.00 57.85 55.85 1ijx n ARG 7 Cb 0.44 -1.08 -0.02 0.00 -1.02 0.00 0.00 32.46 30.78 1ijx n ARG 7 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ijx s ILE 8 N -0.44 4.20 0.21 0.55 1.01 -1.26 -4.94 121.20 120.53 1ijx s ILE 8 Ca 0.05 1.25 -0.18 0.00 0.00 0.00 0.00 60.65 61.78 1ijx s ILE 8 Cb 0.04 -4.50 0.20 0.00 0.01 0.00 0.00 42.46 38.20 1ijx s ILE 8 CO 0.05 -0.88 1.58 -0.65 0.00 0.00 0.00 174.94 175.04 1ijx h PRO 9 N 9.29 -0.09 0.00 2.79 0.11 -1.97 -0.02 132.00 142.12 1ijx h PRO 9 Ca -0.23 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.88 1ijx h PRO 9 Cb 1.07 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ijx h PRO 9 CO 1.11 -0.06 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.77 1ijx h LEU 10 N -0.09 0.00 -2.11 2.35 3.38 -1.97 -2.75 115.31 114.12 1ijx h LEU 10 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1ijx h LEU 10 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1ijx h LEU 10 CO -0.79 0.00 0.00 0.00 0.09 0.00 0.00 178.44 177.74 1ijx h LYS 12 N 4.54 0.00 0.00 0.00 3.64 -1.41 -2.83 116.57 120.51 1ijx h LYS 12 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ijx h LYS 12 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1ijx h LYS 12 CO 0.00 0.00 -0.06 -1.13 -2.27 0.00 0.00 179.45 175.99 1ijx n SER 13 N -2.87 0.13 -4.85 4.20 3.41 -1.26 -4.88 113.62 107.50 1ijx n SER 13 Ca 0.01 0.42 -0.31 0.00 -0.26 0.00 0.00 58.87 58.73 1ijx n SER 13 Cb 0.28 -0.43 0.03 0.00 -0.26 0.00 0.00 64.21 63.84 1ijx n SER 13 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ijx s LEU 14 N -3.13 3.12 0.40 1.04 1.43 -1.07 -4.98 118.68 115.49 1ijx s LEU 14 Ca 0.13 1.46 0.17 0.00 -1.03 0.00 0.00 54.13 54.86 1ijx s LEU 14 Cb 0.18 -4.39 1.06 0.00 0.03 0.00 0.00 46.19 43.07 1ijx s LEU 14 CO 0.56 -1.19 1.82 -0.65 0.23 0.00 0.00 176.35 177.11 1ijx h PRO 15 N -0.55 0.42 -6.14 1.29 0.11 -1.89 -3.43 132.00 121.81 1ijx h PRO 15 Ca -0.44 -0.03 -0.54 0.00 0.11 0.00 0.00 66.00 65.11 1ijx h PRO 15 Cb 1.21 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1ijx h PRO 15 CO 0.60 0.28 -0.50 1.67 -0.21 0.00 0.00 178.00 179.84 1ijx s TRP 16 N -5.48 3.31 0.00 0.65 -2.14 -1.26 -5.02 118.94 109.00 1ijx s TRP 16 Ca -0.09 0.02 0.00 0.00 2.66 0.00 0.00 56.10 58.70 1ijx s TRP 16 Cb 0.24 -1.57 0.00 0.00 -3.10 0.00 0.00 33.47 29.04 1ijx s TRP 16 CO 0.79 0.51 0.00 0.39 -2.66 0.00 0.00 176.95 175.98 1ijx n GLU 17 N -0.67 5.05 -4.81 3.25 1.02 -1.26 -4.95 120.64 118.26 1ijx n GLU 17 Ca -0.08 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.73 1ijx n GLU 17 Cb 0.55 -0.41 -0.14 0.00 -0.02 0.00 0.00 31.44 31.42 1ijx n GLU 17 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1ijx s MET 18 N -0.81 3.09 0.16 3.49 -1.94 -1.26 -0.51 119.30 121.52 1ijx s MET 18 Ca 0.00 -0.69 0.02 0.00 -1.71 0.00 0.00 55.69 53.31 1ijx s MET 18 Cb 0.00 -2.55 -0.01 0.00 2.01 0.00 0.00 34.83 34.28 1ijx s MET 18 CO 0.00 0.35 0.06 -2.37 -0.01 0.00 0.00 175.02 173.06 1ijx n THR 19 N 3.11 0.00 -3.64 2.05 5.66 0.39 -1.21 114.28 120.64 1ijx n THR 19 Ca -0.18 -0.94 -0.07 0.00 -3.05 0.00 0.00 64.05 59.80 1ijx n THR 19 Cb 0.53 0.36 -0.07 0.00 -1.55 0.00 0.00 70.33 69.59 1ijx n THR 19 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1ijx s LYS 20 N -2.60 0.51 0.56 1.09 2.20 -1.25 -1.27 119.74 118.97 1ijx s LYS 20 Ca 0.09 0.69 -0.08 0.00 -0.36 0.00 0.00 55.97 56.31 1ijx s LYS 20 Cb 0.00 0.20 -0.02 0.00 -1.51 0.00 0.00 37.83 36.50 1ijx s LYS 20 CO 0.06 -0.07 0.91 -1.64 -0.36 0.00 0.00 175.35 174.25 1ijx s MET 21 N 0.65 3.36 0.39 4.03 -1.94 -1.26 -4.49 119.30 120.04 1ijx s MET 21 Ca -0.01 0.33 -0.24 0.00 -1.71 0.00 0.00 55.69 54.06 1ijx s MET 21 Cb -0.05 -2.24 -0.09 0.00 2.01 0.00 0.00 34.83 34.46 1ijx s MET 21 CO -0.09 -0.49 1.02 -1.25 -0.01 0.00 0.00 175.02 174.20 1ijx s PRO 22 N -4.97 4.25 0.10 2.03 0.04 -1.26 -4.96 135.00 130.22 1ijx s PRO 22 Ca 0.52 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.99 1ijx s PRO 22 Cb -0.11 -2.56 0.02 0.00 0.04 0.00 0.00 34.50 31.90 1ijx s PRO 22 CO 0.48 -0.05 0.13 0.27 0.04 0.00 0.00 177.00 177.87 1ijx n ASN 23 N -0.00 0.10 -0.32 6.66 0.23 -1.23 -4.45 115.26 116.24 1ijx n ASN 23 Ca 0.05 -1.10 0.02 0.00 -0.53 0.00 0.00 54.58 53.02 1ijx n ASN 23 Cb 0.50 -0.09 0.06 0.00 -2.08 0.00 0.00 39.78 38.17 1ijx n ASN 23 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1ijx n HIS 24 N -1.83 0.21 0.10 -2.53 8.25 0.01 -1.55 115.22 117.89 1ijx n HIS 24 Ca 0.02 -0.10 0.05 0.00 -0.26 0.00 0.00 57.72 57.43 1ijx n HIS 24 Cb 0.07 -0.02 0.09 0.00 1.12 0.00 0.00 29.99 31.25 1ijx n HIS 24 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ijx n LEU 25 N -0.06 2.33 -1.26 2.41 7.99 -1.26 -4.98 117.00 122.18 1ijx n LEU 25 Ca 0.05 -1.54 -0.13 0.00 -0.01 0.00 0.00 56.01 54.38 1ijx n LEU 25 Cb 0.16 -0.11 -0.03 0.00 -0.11 0.00 0.00 43.42 43.33 1ijx n LEU 25 CO 0.04 0.54 -0.15 1.41 -1.51 0.00 0.00 177.39 177.72 1ijx n HIS 26 N 0.45 -0.35 -2.29 -1.77 8.25 -0.60 -4.99 115.22 113.92 1ijx n HIS 26 Ca 0.08 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.14 1ijx n HIS 26 Cb 0.33 -2.61 -0.03 0.00 1.12 0.00 0.00 29.99 28.79 1ijx n HIS 26 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1ijx s HIS 27 N -2.57 3.26 -0.20 4.41 3.76 -1.26 -4.85 115.29 117.84 1ijx s HIS 27 Ca 0.00 1.55 0.18 0.00 -0.15 0.00 0.00 55.06 56.65 1ijx s HIS 27 Cb 0.00 -3.47 0.01 0.00 1.11 0.00 0.00 32.58 30.23 1ijx s HIS 27 CO 0.00 -1.24 1.15 0.77 -0.85 0.00 0.00 174.74 174.57 1ijx h SER 28 N 3.39 0.00 -4.15 1.40 0.02 -1.96 -3.27 113.55 108.98 1ijx h SER 28 Ca -0.48 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.06 1ijx h SER 28 Cb 1.22 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.58 1ijx h SER 28 CO 0.65 0.35 -0.76 0.42 -1.14 0.00 0.00 176.83 176.35 1ijx s THR 29 N -3.07 1.26 0.19 -2.27 -4.23 -1.26 -4.83 115.64 101.43 1ijx s THR 29 Ca 0.01 -1.65 0.29 0.00 -1.18 0.00 0.00 61.69 59.16 1ijx s THR 29 Cb 0.08 -1.45 0.31 0.00 1.34 0.00 0.00 72.50 72.78 1ijx s THR 29 CO 0.77 -0.40 1.95 -0.61 -0.54 0.00 0.00 174.62 175.79 1ijx h GLN 30 N 3.64 0.00 -0.75 3.99 4.15 -1.96 -2.43 115.11 121.76 1ijx h GLN 30 Ca -0.40 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.04 1ijx h GLN 30 Cb 1.19 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.84 1ijx h GLN 30 CO 0.49 0.12 0.49 0.00 -1.93 0.00 0.00 178.83 177.99 1ijx h ALA 31 N 1.88 0.96 -0.65 3.38 0.00 -1.99 0.13 119.26 122.96 1ijx h ALA 31 Ca -0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ijx h ALA 31 Cb 0.56 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ijx h ALA 31 CO 0.02 0.33 0.26 -0.91 0.00 0.00 0.00 179.25 178.95 1ijx h ASN 32 N 0.98 0.88 -0.50 0.00 2.35 -1.86 -2.12 115.58 115.31 1ijx h ASN 32 Ca 0.28 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1ijx h ASN 32 Cb -0.07 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 1ijx h ASN 32 CO -0.08 0.78 -0.02 0.00 -1.65 0.00 0.00 177.43 176.47 1ijx h ALA 33 N 1.35 0.68 -0.22 -0.83 0.00 -1.17 -2.09 119.26 116.98 1ijx h ALA 33 Ca 0.22 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ijx h ALA 33 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ijx h ALA 33 CO -0.02 0.50 0.13 0.82 0.00 0.00 0.00 179.25 180.69 1ijx h ILE 34 N 0.76 1.04 -0.19 0.00 2.04 -0.51 -0.70 117.51 119.94 1ijx h ILE 34 Ca 0.14 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1ijx h ILE 34 Cb 0.54 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1ijx h ILE 34 CO 0.03 0.05 0.06 0.25 0.00 0.00 0.00 178.15 178.54 1ijx h LEU 35 N 0.28 0.06 -0.61 1.44 5.85 -1.25 -2.52 115.31 118.55 1ijx h LEU 35 Ca 0.08 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1ijx h LEU 35 Cb -0.02 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1ijx h LEU 35 CO -0.03 0.06 0.38 0.00 -0.34 0.00 0.00 178.44 178.51 1ijx h ALA 36 N 1.12 0.80 0.00 1.25 0.00 -1.13 -2.54 119.26 118.76 1ijx h ALA 36 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ijx h ALA 36 Cb 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ijx h ALA 36 CO -0.09 0.12 -0.11 0.52 0.00 0.00 0.00 179.25 179.69 1ijx h MET 37 N 0.74 0.00 0.00 0.00 2.86 -0.85 -2.27 114.93 115.41 1ijx h MET 37 Ca 0.25 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 1ijx h MET 37 Cb 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1ijx h MET 37 CO -0.10 0.11 -0.11 0.93 1.06 0.00 0.00 176.91 178.80 1ijx h GLU 38 N 0.00 0.00 0.00 1.72 5.08 -1.03 -2.17 114.58 118.19 1ijx h GLU 38 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ijx h GLU 38 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ijx h GLU 38 CO 0.01 0.11 0.00 1.96 -1.00 0.00 0.00 179.01 180.09 1ijx h GLN 39 N 0.00 0.00 -0.31 2.33 1.08 -1.50 -3.00 115.11 113.71 1ijx h GLN 39 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ijx h GLN 39 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1ijx h GLN 39 CO 0.01 0.00 0.00 1.19 -0.95 0.00 0.00 178.83 179.08 1ijx n PHE 40 N -2.93 0.40 -0.17 2.96 3.01 -0.81 -4.45 117.46 115.47 1ijx n PHE 40 Ca 0.00 -0.20 -0.02 0.00 1.01 0.00 0.00 57.45 58.24 1ijx n PHE 40 Cb 0.24 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.78 1ijx n PHE 40 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1ijx h GLU 41 N 3.45 0.18 -0.39 -1.08 4.39 -1.67 -1.07 114.58 118.40 1ijx h GLU 41 Ca 0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1ijx h GLU 41 Cb 0.76 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1ijx h GLU 41 CO 0.00 0.12 0.20 0.78 -1.16 0.00 0.00 179.01 178.95 1ijx h GLY 42 N 0.19 0.59 0.90 -3.84 0.00 -1.85 -1.48 103.07 97.57 1ijx h GLY 42 Ca 0.26 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1ijx h GLY 42 CO -0.38 0.27 0.06 -2.00 0.00 0.00 0.00 176.54 174.49 1ijx h LEU 43 N 0.49 0.49 -2.04 3.11 5.85 -1.76 -2.23 115.31 119.22 1ijx h LEU 43 Ca 0.14 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1ijx h LEU 43 Cb 0.09 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1ijx h LEU 43 CO -0.02 0.62 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.56 1ijx h LEU 44 N 0.35 0.00 -0.73 2.25 3.38 -1.14 -0.71 115.31 118.71 1ijx h LEU 44 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ijx h LEU 44 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ijx h LEU 44 CO 0.01 0.07 0.00 1.23 0.09 0.00 0.00 178.44 179.83 1ijx h GLY 45 N 0.30 0.00 1.35 0.83 0.00 -0.64 -2.71 103.07 102.20 1ijx h GLY 45 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ijx h GLY 45 CO 0.01 0.00 -0.22 -1.30 0.00 0.00 0.00 176.54 175.03 1ijx n THR 46 N -2.54 0.00 -3.79 4.70 -2.24 -0.27 -4.93 114.28 105.20 1ijx n THR 46 Ca 0.02 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.50 1ijx n THR 46 Cb 0.31 -0.11 0.03 0.00 -2.10 0.00 0.00 70.33 68.46 1ijx n THR 46 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ijx n HIS 47 N -1.37 -2.30 0.32 4.78 -0.00 -1.02 -4.86 115.22 110.77 1ijx n HIS 47 Ca 0.08 0.86 0.16 0.00 -0.00 0.00 0.00 57.72 58.81 1ijx n HIS 47 Cb 0.33 -4.01 0.61 0.00 -0.00 0.00 0.00 29.99 26.92 1ijx n HIS 47 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ijx s SER 49 N -5.28 -0.83 0.36 0.00 0.15 -1.26 -4.05 113.70 102.79 1ijx s SER 49 Ca 0.02 1.32 0.26 0.00 0.70 0.00 0.00 55.95 58.26 1ijx s SER 49 Cb 0.09 1.36 1.26 0.00 -1.71 0.00 0.00 66.02 67.02 1ijx s SER 49 CO 0.51 -0.21 1.79 1.55 1.20 0.00 0.00 173.24 178.07 1ijx h PRO 50 N 6.76 0.00 -0.02 5.44 0.13 -1.95 -2.59 132.00 139.77 1ijx h PRO 50 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ijx h PRO 50 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ijx h PRO 50 CO 0.17 0.00 -0.31 -0.25 -0.23 0.00 0.00 178.00 177.38 1ijx n ASP 51 N -2.42 1.87 -0.13 1.44 8.00 -1.26 -4.52 116.55 119.53 1ijx n ASP 51 Ca -0.00 -1.42 -0.09 0.00 0.71 0.00 0.00 54.79 53.98 1ijx n ASP 51 Cb 0.13 0.28 -0.01 0.00 -0.02 0.00 0.00 41.12 41.50 1ijx n ASP 51 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1ijx h LEU 52 N 2.45 0.53 0.15 0.64 5.85 -1.81 -1.43 115.31 121.69 1ijx h LEU 52 Ca 0.00 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1ijx h LEU 52 Cb 0.71 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1ijx h LEU 52 CO 0.00 0.55 -0.08 0.25 -0.34 0.00 0.00 178.44 178.83 1ijx h LEU 53 N 0.47 -0.18 -0.24 2.25 5.85 -1.79 0.01 115.31 121.68 1ijx h LEU 53 Ca 0.13 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1ijx h LEU 53 Cb 0.19 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1ijx h LEU 53 CO -0.01 -0.13 -0.19 0.15 -0.34 0.00 0.00 178.44 177.92 1ijx h PHE 54 N -0.21 -0.50 0.10 1.25 3.57 -1.81 -0.15 116.94 119.20 1ijx h PHE 54 Ca -0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1ijx h PHE 54 Cb 0.16 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1ijx h PHE 54 CO -0.07 -0.27 -0.17 0.35 -2.23 0.00 0.00 178.31 175.92 1ijx h PHE 55 N -0.19 -0.44 -0.44 0.41 3.57 -0.94 0.13 116.94 119.04 1ijx h PHE 55 Ca 0.14 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1ijx h PHE 55 Cb 0.40 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1ijx h PHE 55 CO -0.35 -0.25 0.27 -0.07 -2.23 0.00 0.00 178.31 175.68 1ijx h LEU 56 N -0.33 0.45 -0.97 0.59 3.38 -0.83 -2.28 115.31 115.32 1ijx h LEU 56 Ca 0.02 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1ijx h LEU 56 Cb 0.35 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1ijx h LEU 56 CO -0.09 0.33 -0.09 0.00 0.09 0.00 0.00 178.44 178.67 1ijx h ALA 58 N 1.31 1.24 0.12 0.00 0.00 -0.60 0.10 119.26 121.43 1ijx h ALA 58 Ca 0.11 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1ijx h ALA 58 Cb 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ijx h ALA 58 CO 0.03 0.19 -1.14 0.52 0.00 0.00 0.00 179.25 178.85 1ijx h MET 59 N 0.00 0.25 0.00 0.00 2.07 -0.84 -3.26 114.93 113.15 1ijx h MET 59 Ca -0.00 -0.43 -0.15 0.00 -2.07 0.00 0.00 59.70 57.04 1ijx h MET 59 Cb 0.43 0.16 -0.03 0.00 -1.87 0.00 0.00 31.60 30.29 1ijx h MET 59 CO 0.02 1.21 -1.24 1.88 1.07 0.00 0.00 176.91 179.84 1ijx h TYR 60 N -0.37 0.00 -1.66 -0.22 -1.99 -1.06 0.07 116.97 111.74 1ijx h TYR 60 Ca -0.23 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.02 1ijx h TYR 60 Cb 1.68 0.00 -0.35 0.00 2.00 0.00 0.00 36.73 40.06 1ijx h TYR 60 CO 0.16 0.56 -1.04 0.00 -0.00 0.00 0.00 178.16 177.84 1ijx n ALA 61 N -2.36 1.65 -1.75 3.88 0.00 0.35 -4.76 120.51 117.52 1ijx n ALA 61 Ca -0.07 -3.06 -0.40 0.00 0.00 0.00 0.00 53.44 49.91 1ijx n ALA 61 Cb 0.82 -0.93 0.02 0.00 0.00 0.00 0.00 19.45 19.35 1ijx n ALA 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ijx n PRO 62 N 0.88 2.14 -1.66 0.00 -0.04 -1.23 -4.66 135.00 130.43 1ijx n PRO 62 Ca 0.20 0.76 -0.43 0.00 -0.04 0.00 0.00 63.50 64.00 1ijx n PRO 62 Cb 0.61 -2.57 -0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1ijx n PRO 62 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1ijx n ILE 63 N -0.27 2.14 -2.62 0.52 3.06 -1.26 -3.79 119.36 117.15 1ijx n ILE 63 Ca 0.06 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.39 1ijx n ILE 63 Cb 0.41 -1.37 -0.04 0.00 0.54 0.00 0.00 39.64 39.19 1ijx n ILE 63 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ijx s THR 65 N 0.49 0.25 0.11 0.00 -4.23 -1.26 -4.99 115.64 106.00 1ijx s THR 65 Ca 0.51 -1.68 -0.05 0.00 -1.18 0.00 0.00 61.69 59.30 1ijx s THR 65 Cb -0.25 -1.34 -0.22 0.00 1.34 0.00 0.00 72.50 72.03 1ijx s THR 65 CO 0.30 -0.91 1.25 0.40 -0.54 0.00 0.00 174.62 175.12 1ijx h ILE 66 N 3.37 1.42 -4.22 2.99 2.04 -1.97 -3.45 117.51 117.70 1ijx h ILE 66 Ca -0.34 -2.62 -0.50 0.00 1.00 0.00 0.00 64.86 62.40 1ijx h ILE 66 Cb 1.15 2.59 0.13 0.00 -0.74 0.00 0.00 36.82 39.95 1ijx h ILE 66 CO 0.62 0.78 0.29 -1.81 0.00 0.00 0.00 178.15 178.03 1ijx s ASP 67 N -7.13 4.14 -1.28 1.72 1.01 -1.26 -4.03 116.67 109.85 1ijx s ASP 67 Ca -0.05 1.66 -0.02 0.00 0.71 0.00 0.00 52.55 54.84 1ijx s ASP 67 Cb 0.08 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.66 1ijx s ASP 67 CO 0.88 -2.24 0.92 0.49 0.21 0.00 0.00 175.17 175.42 1ijx n PHE 68 N -3.64 -2.18 -0.17 4.23 0.99 -1.26 -4.89 117.46 110.54 1ijx n PHE 68 Ca 0.08 0.91 0.11 0.00 -0.00 0.00 0.00 57.45 58.55 1ijx n PHE 68 Cb 0.54 -4.77 0.43 0.00 -1.00 0.00 0.00 39.48 34.68 1ijx n PHE 68 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 1ijx h GLN 69 N -2.00 0.56 0.00 -1.08 5.75 -1.87 -2.99 115.11 113.49 1ijx h GLN 69 Ca -0.59 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 57.87 1ijx h GLN 69 Cb 1.35 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.78 1ijx h GLN 69 CO 0.54 0.37 -1.10 0.72 -2.65 0.00 0.00 178.83 176.71 1ijx n HIS 70 N -4.49 0.00 -3.31 3.99 8.25 -1.26 -4.76 115.22 113.63 1ijx n HIS 70 Ca 0.12 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.48 1ijx n HIS 70 Cb 0.37 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 1ijx n HIS 70 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1ijx s GLU 71 N -3.03 0.58 1.08 -0.41 2.12 -1.13 -4.72 118.70 113.19 1ijx s GLU 71 Ca 0.06 -0.36 -0.20 0.00 0.36 0.00 0.00 54.97 54.83 1ijx s GLU 71 Cb 0.16 -0.42 0.03 0.00 0.26 0.00 0.00 34.13 34.15 1ijx s GLU 71 CO 0.86 -1.13 -0.33 -2.30 -0.54 0.00 0.00 175.26 171.83 1ijx n PRO 72 N 4.73 -1.13 -2.15 4.30 -0.02 -1.20 -4.77 135.00 134.75 1ijx n PRO 72 Ca 0.07 -0.32 -0.37 0.00 -2.02 0.00 0.00 63.50 60.86 1ijx n PRO 72 Cb 0.49 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1ijx n PRO 72 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1ijx s ILE 73 N -2.19 2.88 0.29 4.25 2.07 -1.26 -5.03 121.20 122.22 1ijx s ILE 73 Ca 0.51 0.64 0.07 0.00 -1.41 0.00 0.00 60.65 60.47 1ijx s ILE 73 Cb -0.08 -3.31 -0.03 0.00 0.13 0.00 0.00 42.46 39.16 1ijx s ILE 73 CO 0.67 -0.03 0.22 -0.54 -1.91 0.00 0.00 174.94 173.34 1ijx s LYS 74 N -2.84 2.75 0.65 3.50 1.02 -1.26 -4.77 119.74 118.78 1ijx s LYS 74 Ca 0.67 -1.22 -0.14 0.00 0.02 0.00 0.00 55.97 55.30 1ijx s LYS 74 Cb -0.30 -2.47 -0.01 0.00 -0.52 0.00 0.00 37.83 34.53 1ijx s LYS 74 CO 0.36 0.25 1.07 -1.25 -0.92 0.00 0.00 175.35 174.87 1ijx s PRO 75 N -3.89 3.01 0.50 -1.68 0.04 -1.26 -0.36 135.00 131.36 1ijx s PRO 75 Ca 0.36 1.20 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 1ijx s PRO 75 Cb -0.06 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1ijx s PRO 75 CO 0.25 -1.05 1.05 0.00 0.04 0.00 0.00 177.00 177.29 1ijx h LYS 77 N 1.46 0.93 -0.87 0.00 3.64 -1.93 -2.05 116.57 117.76 1ijx h LYS 77 Ca -0.50 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1ijx h LYS 77 Cb 1.23 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 1ijx h LYS 77 CO 0.59 0.61 0.57 0.66 -2.27 0.00 0.00 179.45 179.61 1ijx h SER 78 N 0.96 1.00 -0.29 4.20 4.64 -1.94 0.61 113.55 122.74 1ijx h SER 78 Ca 0.47 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.62 1ijx h SER 78 Cb 0.47 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1ijx h SER 78 CO -0.23 0.73 -0.33 1.62 -0.87 0.00 0.00 176.83 177.75 1ijx h VAL 79 N 1.18 1.28 -0.59 0.95 3.04 -1.76 -2.06 116.25 118.29 1ijx h VAL 79 Ca 0.32 -1.49 -0.02 0.00 -1.01 0.00 0.00 66.70 64.50 1ijx h VAL 79 Cb -0.12 1.35 -0.03 0.00 -2.01 0.00 0.00 31.29 30.48 1ijx h VAL 79 CO -0.07 0.49 0.30 0.00 -1.01 0.00 0.00 177.57 177.29 1ijx h GLU 81 N 0.80 1.21 -0.46 0.00 4.39 -0.66 -0.01 114.58 119.84 1ijx h GLU 81 Ca 0.20 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1ijx h GLU 81 Cb 0.08 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1ijx h GLU 81 CO -0.03 0.96 -0.03 0.00 -1.16 0.00 0.00 179.01 178.75 1ijx h ARG 82 N 1.18 0.84 -0.55 2.33 3.08 -1.08 -0.14 114.38 120.04 1ijx h ARG 82 Ca 0.27 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1ijx h ARG 82 Cb 0.19 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1ijx h ARG 82 CO -0.03 0.91 0.36 0.00 -1.07 0.00 0.00 179.97 180.14 1ijx h ALA 83 N 0.90 0.71 -0.53 0.04 0.00 -0.77 -1.31 119.26 118.30 1ijx h ALA 83 Ca 0.13 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1ijx h ALA 83 Cb 0.55 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1ijx h ALA 83 CO 0.03 0.12 -0.11 -0.09 0.00 0.00 0.00 179.25 179.20 1ijx h ARG 84 N 0.73 1.00 -1.00 0.00 2.43 -0.87 0.94 114.38 117.60 1ijx h ARG 84 Ca 0.21 -0.36 0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1ijx h ARG 84 Cb -0.06 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.37 1ijx h ARG 84 CO -0.06 1.04 0.66 0.37 -1.51 0.00 0.00 179.97 180.47 1ijx h GLN 85 N 0.89 1.26 0.06 0.20 4.15 -0.53 0.59 115.11 121.73 1ijx h GLN 85 Ca 0.14 -0.08 -0.26 0.00 0.77 0.00 0.00 58.65 59.22 1ijx h GLN 85 Cb 0.67 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 1ijx h GLN 85 CO 0.05 0.83 -1.29 0.78 -1.93 0.00 0.00 178.83 177.27 1ijx h GLY 86 N 1.29 0.16 0.26 2.39 0.00 -0.97 -3.40 103.07 102.81 1ijx h GLY 86 Ca 0.39 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 1ijx h GLY 86 CO -0.11 0.35 -1.86 0.00 0.00 0.00 0.00 176.54 174.92 1ijx h GLU 88 N 0.00 0.35 -0.92 0.00 4.81 -1.08 -1.69 114.58 116.05 1ijx h GLU 88 Ca -0.12 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.23 1ijx h GLU 88 Cb 1.30 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 1ijx h GLU 88 CO 0.01 0.23 0.59 -1.35 -0.73 0.00 0.00 179.01 177.76 1ijx h PRO 89 N 0.36 0.71 -0.22 0.92 0.11 -1.79 0.74 132.00 132.83 1ijx h PRO 89 Ca 0.18 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 1ijx h PRO 89 Cb 0.13 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 1ijx h PRO 89 CO -0.16 0.47 -0.22 0.82 -0.21 0.00 0.00 178.00 178.70 1ijx h ILE 90 N 0.73 1.32 -0.53 4.15 1.08 -1.66 -2.30 117.51 120.30 1ijx h ILE 90 Ca 0.47 -1.39 0.01 0.00 -0.39 0.00 0.00 64.86 63.55 1ijx h ILE 90 Cb 0.73 1.73 -0.03 0.00 -3.07 0.00 0.00 36.82 36.19 1ijx h ILE 90 CO -0.23 0.43 0.35 -0.07 -0.69 0.00 0.00 178.15 177.94 1ijx h LEU 91 N 0.22 0.61 -1.49 1.44 3.38 -0.36 -0.18 115.31 118.94 1ijx h LEU 91 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ijx h LEU 91 Cb 0.78 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1ijx h LEU 91 CO 0.06 0.44 0.19 0.40 0.09 0.00 0.00 178.44 179.62 1ijx h ILE 92 N 0.72 1.13 -0.06 1.22 2.04 -0.87 0.52 117.51 122.21 1ijx h ILE 92 Ca 0.20 -0.37 -0.14 0.00 1.00 0.00 0.00 64.86 65.55 1ijx h ILE 92 Cb -0.08 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1ijx h ILE 92 CO -0.04 0.15 -0.58 0.50 0.00 0.00 0.00 178.15 178.18 1ijx h LYS 93 N 0.55 0.19 -0.73 2.37 3.64 -0.63 -2.82 116.57 119.14 1ijx h LYS 93 Ca 0.14 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1ijx h LYS 93 Cb 0.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1ijx h LYS 93 CO -0.02 0.72 0.04 0.66 -2.27 0.00 0.00 179.45 178.57 1ijx n TYR 94 N -3.88 1.50 -3.17 1.91 4.02 -0.20 -4.91 117.16 112.43 1ijx n TYR 94 Ca -0.02 -0.57 -0.18 0.00 -0.01 0.00 0.00 57.90 57.11 1ijx n TYR 94 Cb 0.60 -0.41 0.05 0.00 -0.02 0.00 0.00 39.34 39.55 1ijx n TYR 94 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1ijx n ARG 95 N 0.35 -5.36 -1.70 -0.72 5.12 -0.86 -5.01 116.66 108.48 1ijx n ARG 95 Ca 0.21 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.80 1ijx n ARG 95 Cb 0.94 -5.15 0.00 0.00 -1.16 0.00 0.00 32.46 27.09 1ijx n ARG 95 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1ijx n HIS 96 N -4.38 0.00 -3.55 -1.55 8.25 0.17 -5.00 115.22 109.16 1ijx n HIS 96 Ca -0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.35 1ijx n HIS 96 Cb 0.56 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.66 1ijx n HIS 96 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ijx s SER 97 N -0.70 -0.37 0.01 0.41 0.15 -1.26 -3.22 113.70 108.72 1ijx s SER 97 Ca 0.00 -0.11 -0.30 0.00 0.70 0.00 0.00 55.95 56.24 1ijx s SER 97 Cb 0.00 0.48 -0.08 0.00 -1.71 0.00 0.00 66.02 64.70 1ijx s SER 97 CO 0.00 -0.80 1.92 0.86 1.20 0.00 0.00 173.24 176.42 1ijx s TRP 98 N -3.35 1.39 0.50 3.44 -0.11 -1.26 -4.95 118.94 114.60 1ijx s TRP 98 Ca 0.06 -0.33 -0.21 0.00 1.22 0.00 0.00 56.10 56.84 1ijx s TRP 98 Cb -0.01 -4.18 -0.07 0.00 -1.50 0.00 0.00 33.47 27.70 1ijx s TRP 98 CO -0.07 -5.24 1.12 -1.25 -4.62 0.00 0.00 176.95 166.88 1ijx s PRO 99 N 4.44 3.62 0.41 5.86 0.04 -1.26 -4.95 135.00 143.16 1ijx s PRO 99 Ca 0.86 1.60 0.09 0.00 0.04 0.00 0.00 61.00 63.59 1ijx s PRO 99 Cb -0.41 -2.18 0.90 0.00 0.04 0.00 0.00 34.50 32.86 1ijx s PRO 99 CO 0.39 -0.63 2.03 1.49 0.04 0.00 0.00 177.00 180.33 1ijx h GLU 100 N 1.61 0.51 0.00 4.56 4.81 -1.99 -1.26 114.58 122.82 1ijx h GLU 100 Ca -0.50 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1ijx h GLU 100 Cb 1.25 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1ijx h GLU 100 CO 0.59 0.34 -0.00 0.66 -0.73 0.00 0.00 179.01 179.86 1ijx h SER 101 N 0.52 0.00 -0.18 1.04 4.64 -2.01 -1.53 113.55 116.03 1ijx h SER 101 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1ijx h SER 101 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1ijx h SER 101 CO -0.05 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.09 1ijx n LEU 102 N -3.09 3.17 -4.65 5.97 4.77 -0.49 -5.00 117.00 117.68 1ijx n LEU 102 Ca -0.03 -2.81 -0.46 0.00 -0.03 0.00 0.00 56.01 52.69 1ijx n LEU 102 Cb 0.09 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 1ijx n LEU 102 CO 0.21 0.68 1.59 0.00 -1.33 0.00 0.00 177.39 178.53 1ijx n ALA 103 N -0.62 1.24 -0.23 -1.18 0.00 -0.58 -4.86 120.51 114.28 1ijx n ALA 103 Ca 0.17 0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.79 1ijx n ALA 103 Cb 0.70 -2.62 0.22 0.00 0.00 0.00 0.00 19.45 17.75 1ijx n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ijx n ASP 105 N -4.39 0.00 -0.88 0.00 5.68 -1.26 -2.26 116.55 113.44 1ijx n ASP 105 Ca 0.08 -0.69 0.10 0.00 -0.50 0.00 0.00 54.79 53.79 1ijx n ASP 105 Cb 0.06 -0.02 0.12 0.00 -1.14 0.00 0.00 41.12 40.13 1ijx n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ijx n GLU 106 N -1.02 1.99 -0.03 0.11 -0.58 -0.84 -4.54 120.64 115.74 1ijx n GLU 106 Ca 0.17 -1.86 -0.15 0.00 -0.42 0.00 0.00 57.16 54.90 1ijx n GLU 106 Cb 0.09 -1.41 -0.09 0.00 -0.57 0.00 0.00 31.44 29.46 1ijx n GLU 106 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1ijx h LEU 107 N 3.94 0.46 -9.53 -4.62 3.38 -1.54 -3.46 115.31 103.95 1ijx h LEU 107 Ca 0.00 -0.66 -0.60 0.00 0.09 0.00 0.00 57.88 56.71 1ijx h LEU 107 Cb 0.86 -0.14 0.08 0.00 0.09 0.00 0.00 40.66 41.56 1ijx h LEU 107 CO 0.00 1.05 0.51 -2.65 0.09 0.00 0.00 178.44 177.43 1ijx n PRO 108 N -4.36 1.81 -3.41 1.13 -0.02 -1.26 -4.92 135.00 123.96 1ijx n PRO 108 Ca -0.08 0.64 -0.44 0.00 -2.02 0.00 0.00 63.50 61.60 1ijx n PRO 108 Cb 0.54 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.70 1ijx n PRO 108 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ijx s VAL 109 N -0.19 5.14 -1.13 -1.45 1.01 -1.26 -4.98 120.40 117.54 1ijx s VAL 109 Ca 0.68 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1ijx s VAL 109 Cb -0.69 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 31.64 1ijx s VAL 109 CO 0.51 -0.56 1.00 -1.22 0.00 0.00 0.00 175.10 174.84 1ijx n TYR 110 N 5.17 0.00 -0.96 5.22 0.53 -1.26 -1.38 117.16 124.48 1ijx n TYR 110 Ca -0.12 0.00 0.09 0.00 -1.02 0.00 0.00 57.90 56.85 1ijx n TYR 110 Cb 0.44 -0.43 0.17 0.00 -1.03 0.00 0.00 39.34 38.48 1ijx n TYR 110 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 1ijx n ASP 111 N -1.43 2.81 0.00 7.72 5.68 -1.26 -4.86 116.55 125.20 1ijx n ASP 111 Ca 0.01 -2.97 0.00 0.00 -0.50 0.00 0.00 54.79 51.32 1ijx n ASP 111 Cb 0.02 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 1ijx n ASP 111 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1ijx n ARG 112 N -1.05 0.00 0.00 0.11 0.63 -0.48 -5.09 116.66 110.78 1ijx n ARG 112 Ca 0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 1ijx n ARG 112 Cb 0.69 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.60 1ijx n ARG 112 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ijx n GLY 113 N 4.19 1.90 3.15 5.14 0.00 -1.22 -5.10 105.19 113.24 1ijx n GLY 113 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1ijx n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ijx s VAL 114 N -2.00 -0.01 0.19 1.61 0.11 -1.26 -5.16 120.40 113.88 1ijx s VAL 114 Ca 0.00 0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.08 1ijx s VAL 114 Cb 0.00 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 1ijx s VAL 114 CO 0.00 0.02 0.13 0.00 -3.33 0.00 0.00 175.10 171.92 1ijx s ILE 116 N -4.14 3.98 0.09 0.00 2.07 0.51 -4.81 121.20 118.89 1ijx s ILE 116 Ca 0.36 -0.47 0.02 0.00 -1.41 0.00 0.00 60.65 59.15 1ijx s ILE 116 Cb 0.07 -2.68 -0.04 0.00 0.13 0.00 0.00 42.46 39.94 1ijx s ILE 116 CO 0.10 0.53 -0.06 -0.55 -1.91 0.00 0.00 174.94 173.05 1ijx s SER 117 N -1.06 1.04 0.55 4.50 0.15 -1.26 -1.18 113.70 116.43 1ijx s SER 117 Ca 0.15 -0.93 -0.13 0.00 0.70 0.00 0.00 55.95 55.74 1ijx s SER 117 Cb -0.11 0.09 -0.06 0.00 -1.71 0.00 0.00 66.02 64.23 1ijx s SER 117 CO 0.04 -0.43 0.97 -2.16 1.20 0.00 0.00 173.24 172.86 1ijx s PRO 118 N -3.47 3.75 -0.04 5.44 0.04 -1.26 -5.06 135.00 134.39 1ijx s PRO 118 Ca 0.08 0.76 0.01 0.00 0.04 0.00 0.00 61.00 61.89 1ijx s PRO 118 Cb 0.03 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1ijx s PRO 118 CO -0.04 -0.38 -0.05 -2.00 0.04 0.00 0.00 177.00 174.57 1ijx s GLU 119 N -4.59 0.87 0.00 4.56 2.56 -1.26 -5.16 118.70 115.67 1ijx s GLU 119 Ca 0.56 -0.12 0.02 0.00 0.00 0.00 0.00 54.97 55.43 1ijx s GLU 119 Cb -0.10 -0.86 0.14 0.00 2.00 0.00 0.00 34.13 35.31 1ijx s GLU 119 CO 0.42 -0.07 0.63 0.00 -0.56 0.00 0.00 175.26 175.68