#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijx s GLU 4 N -4.14 0.66 0.40 0.00 -1.05 0.79 -4.95 118.70 110.41 1ijx s GLU 4 Ca 0.67 -1.12 -0.25 0.00 -0.15 0.00 0.00 54.97 54.11 1ijx s GLU 4 Cb -0.20 -0.08 -0.08 0.00 -0.44 0.00 0.00 34.13 33.33 1ijx s GLU 4 CO 0.42 -0.03 1.20 -1.25 0.95 0.00 0.00 175.26 176.55 1ijx s PRO 5 N -3.19 4.04 0.14 -4.83 0.04 -1.26 -0.28 135.00 129.65 1ijx s PRO 5 Ca 0.04 1.91 -0.31 0.00 0.04 0.00 0.00 61.00 62.68 1ijx s PRO 5 Cb 0.02 -2.70 -0.10 0.00 0.04 0.00 0.00 34.50 31.75 1ijx s PRO 5 CO -0.05 -0.35 1.71 0.08 0.04 0.00 0.00 177.00 178.42 1ijx s VAL 6 N -1.37 2.56 -0.27 -0.36 1.01 -0.36 -4.76 120.40 116.84 1ijx s VAL 6 Ca 0.57 0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.87 1ijx s VAL 6 Cb -0.32 -3.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.79 1ijx s VAL 6 CO 0.41 0.01 0.31 0.54 0.00 0.00 0.00 175.10 176.37 1ijx n ARG 7 N 4.91 2.74 -1.90 2.72 1.74 -1.26 -4.96 116.66 120.65 1ijx n ARG 7 Ca 0.16 -0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.78 1ijx n ARG 7 Cb 0.38 -1.02 -0.03 0.00 -1.02 0.00 0.00 32.46 30.77 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 -2.12 3.37 0.21 0.55 1.01 -1.26 -4.90 121.20 118.07 1ijx s ILE 8 Ca 0.01 0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.88 1ijx s ILE 8 Cb 0.06 -3.45 0.22 0.00 0.01 0.00 0.00 42.46 39.31 1ijx s ILE 8 CO 0.37 -0.25 1.58 -0.65 0.00 0.00 0.00 174.94 175.99 1ijx h PRO 9 N 12.79 -0.07 0.00 2.79 0.11 -1.96 -0.92 132.00 144.73 1ijx h PRO 9 Ca -0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1ijx h PRO 9 Cb 1.19 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ijx h PRO 9 CO 1.00 -0.05 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.64 1ijx h LEU 10 N -0.08 0.00 -0.02 2.35 3.38 -2.01 -2.44 115.31 116.50 1ijx h LEU 10 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 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 -0.78 0.03 -0.12 0.00 0.09 0.00 0.00 178.44 177.66 1ijx h LYS 12 N 0.05 0.00 0.00 0.00 1.57 -1.33 -1.43 116.57 115.43 1ijx h LYS 12 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ijx h LYS 12 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1ijx h LYS 12 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 1ijx n SER 13 N -3.01 0.29 -4.83 0.86 3.41 -1.26 -4.84 113.62 104.24 1ijx n SER 13 Ca -0.02 0.54 -0.32 0.00 -0.26 0.00 0.00 58.87 58.82 1ijx n SER 13 Cb 0.15 -0.61 -0.01 0.00 -0.26 0.00 0.00 64.21 63.49 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 -3.57 3.47 0.25 1.04 1.43 -0.54 -4.99 118.68 115.76 1ijx s LEU 14 Ca 0.11 1.62 -0.04 0.00 -1.03 0.00 0.00 54.13 54.79 1ijx s LEU 14 Cb 0.14 -4.51 0.48 0.00 0.03 0.00 0.00 46.19 42.33 1ijx s LEU 14 CO 0.48 -0.89 1.73 -0.65 0.23 0.00 0.00 176.35 177.25 1ijx h PRO 15 N 0.39 0.43 -6.35 1.29 0.11 -1.88 -3.43 132.00 122.57 1ijx h PRO 15 Ca -0.46 -0.03 -0.55 0.00 0.11 0.00 0.00 66.00 65.07 1ijx h PRO 15 Cb 1.20 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1ijx h PRO 15 CO 0.60 0.29 -0.05 1.67 -0.21 0.00 0.00 178.00 180.30 1ijx s TRP 16 N -6.01 3.64 -0.18 0.65 -2.14 -1.26 -4.98 118.94 108.66 1ijx s TRP 16 Ca -0.12 1.14 0.02 0.00 2.66 0.00 0.00 56.10 59.79 1ijx s TRP 16 Cb 0.21 -2.42 0.02 0.00 -3.10 0.00 0.00 33.47 28.17 1ijx s TRP 16 CO 0.76 0.44 0.67 -0.85 -2.66 0.00 0.00 176.95 175.31 1ijx n GLU 17 N 0.91 0.12 -5.27 3.25 0.28 -1.26 -4.93 120.64 113.75 1ijx n GLU 17 Ca -0.06 -0.83 -0.31 0.00 -0.16 0.00 0.00 57.16 55.80 1ijx n GLU 17 Cb 0.52 -1.03 -0.16 0.00 1.43 0.00 0.00 31.44 32.19 1ijx n GLU 17 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1ijx s MET 18 N -0.34 2.49 0.36 3.44 -1.94 -1.26 -1.22 119.30 120.83 1ijx s MET 18 Ca 0.02 -0.91 0.04 0.00 -1.71 0.00 0.00 55.69 53.14 1ijx s MET 18 Cb 0.01 -2.14 -0.03 0.00 2.01 0.00 0.00 34.83 34.68 1ijx s MET 18 CO 0.02 0.40 0.15 -0.08 -0.01 0.00 0.00 175.02 175.50 1ijx s THR 19 N -0.21 0.49 -0.15 2.05 -1.32 0.61 -1.68 115.64 115.42 1ijx s THR 19 Ca -0.02 -2.00 -0.09 0.00 -1.21 0.00 0.00 61.69 58.37 1ijx s THR 19 Cb -0.13 -2.44 0.05 0.00 -1.51 0.00 0.00 72.50 68.47 1ijx s THR 19 CO 0.03 0.00 0.37 -0.75 -2.21 0.00 0.00 174.62 172.06 1ijx s LYS 20 N -3.72 0.36 0.27 7.08 2.20 -1.23 -0.15 119.74 124.55 1ijx s LYS 20 Ca 0.30 0.69 0.02 0.00 -0.36 0.00 0.00 55.97 56.62 1ijx s LYS 20 Cb 0.04 -0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 1ijx s LYS 20 CO 0.17 -0.14 0.44 -1.64 -0.36 0.00 0.00 175.35 173.82 1ijx s MET 21 N 1.18 3.48 0.51 4.03 -1.94 -1.26 -4.30 119.30 121.00 1ijx s MET 21 Ca -0.08 -0.49 -0.18 0.00 -1.71 0.00 0.00 55.69 53.23 1ijx s MET 21 Cb -0.08 -2.79 -0.07 0.00 2.01 0.00 0.00 34.83 33.90 1ijx s MET 21 CO -0.10 0.31 1.02 -1.25 -0.01 0.00 0.00 175.02 174.99 1ijx s PRO 22 N -3.94 3.75 0.02 2.03 0.04 -1.26 -4.99 135.00 130.65 1ijx s PRO 22 Ca 0.37 1.20 -0.00 0.00 0.04 0.00 0.00 61.00 62.61 1ijx s PRO 22 Cb -0.10 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1ijx s PRO 22 CO 0.32 -0.45 0.02 0.27 0.04 0.00 0.00 177.00 177.20 1ijx n ASN 23 N -1.35 0.00 -0.07 6.66 2.04 -1.16 -4.62 115.26 116.77 1ijx n ASN 23 Ca 0.08 -1.01 0.01 0.00 -0.44 0.00 0.00 54.58 53.23 1ijx n ASN 23 Cb 0.53 -0.02 0.06 0.00 -2.53 0.00 0.00 39.78 37.82 1ijx n ASN 23 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 1ijx n HIS 24 N -1.94 0.05 0.45 -2.53 8.25 -0.54 -1.59 115.22 117.37 1ijx n HIS 24 Ca 0.00 -0.03 0.05 0.00 -0.26 0.00 0.00 57.72 57.49 1ijx n HIS 24 Cb 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 -0.41 1.28 -0.16 2.41 7.99 -1.26 -4.99 117.00 121.86 1ijx n LEU 25 Ca 0.02 -0.79 -0.02 0.00 -0.01 0.00 0.00 56.01 55.22 1ijx n LEU 25 Cb 0.04 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.34 1ijx n LEU 25 CO 0.02 0.26 -0.02 1.41 -1.51 0.00 0.00 177.39 177.54 1ijx n HIS 26 N -0.17 0.00 -2.19 -1.77 8.25 -0.62 -5.03 115.22 113.69 1ijx n HIS 26 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 1ijx n HIS 26 Cb 0.22 -0.79 -0.03 0.00 1.12 0.00 0.00 29.99 30.51 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 -2.08 3.23 -0.05 4.41 3.76 -1.26 -4.79 115.29 118.52 1ijx s HIS 27 Ca 0.00 1.13 0.14 0.00 -0.15 0.00 0.00 55.06 56.18 1ijx s HIS 27 Cb 0.00 -3.64 0.09 0.00 1.11 0.00 0.00 32.58 30.14 1ijx s HIS 27 CO 0.00 -2.08 1.45 0.77 -0.85 0.00 0.00 174.74 174.03 1ijx h SER 28 N 5.72 0.00 -3.62 1.40 0.02 -1.96 -3.08 113.55 112.03 1ijx h SER 28 Ca -0.44 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.03 1ijx h SER 28 Cb 1.21 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.58 1ijx h SER 28 CO 0.80 0.59 -0.76 0.42 -1.14 0.00 0.00 176.83 176.73 1ijx s THR 29 N -3.00 1.66 -0.54 -2.27 -4.23 -1.26 -4.68 115.64 101.32 1ijx s THR 29 Ca 0.03 -1.93 0.25 0.00 -1.18 0.00 0.00 61.69 58.86 1ijx s THR 29 Cb 0.09 -1.80 0.28 0.00 1.34 0.00 0.00 72.50 72.40 1ijx s THR 29 CO 0.75 -0.41 1.75 -0.61 -0.54 0.00 0.00 174.62 175.57 1ijx h GLN 30 N 3.16 0.00 -0.56 3.99 4.15 -1.95 -2.63 115.11 121.27 1ijx h GLN 30 Ca -0.41 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 58.97 1ijx h GLN 30 Cb 1.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 1ijx h GLN 30 CO 0.53 0.00 0.20 0.00 -1.93 0.00 0.00 178.83 177.63 1ijx h ALA 31 N 2.34 0.73 -0.68 3.38 0.00 -1.99 0.28 119.26 123.33 1ijx h ALA 31 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1ijx h ALA 31 Cb 0.57 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1ijx h ALA 31 CO 0.00 0.38 0.16 -0.91 0.00 0.00 0.00 179.25 178.88 1ijx h ASN 32 N 0.78 1.03 -0.09 0.00 2.35 -1.89 -2.76 115.58 115.00 1ijx h ASN 32 Ca 0.18 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1ijx h ASN 32 Cb 0.25 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1ijx h ASN 32 CO -0.01 0.99 0.03 0.00 -1.65 0.00 0.00 177.43 176.79 1ijx h ALA 33 N 1.14 0.11 -0.43 -0.83 0.00 -1.22 -2.11 119.26 115.91 1ijx h ALA 33 Ca 0.22 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1ijx h ALA 33 Cb 0.36 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1ijx h ALA 33 CO 0.00 -0.31 0.05 0.82 0.00 0.00 0.00 179.25 179.82 1ijx h ILE 34 N -0.02 0.73 -0.64 0.00 2.04 -0.36 -1.07 117.51 118.19 1ijx h ILE 34 Ca 0.03 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1ijx h ILE 34 Cb 0.16 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1ijx h ILE 34 CO -0.00 0.03 0.16 -0.07 0.00 0.00 0.00 178.15 178.27 1ijx h LEU 35 N 0.17 0.97 -0.54 1.44 3.38 -1.45 -2.97 115.31 116.31 1ijx h LEU 35 Ca 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ijx h LEU 35 Cb 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1ijx h LEU 35 CO -0.31 0.95 0.33 0.00 0.09 0.00 0.00 178.44 179.50 1ijx h ALA 36 N 1.06 0.69 -0.35 1.53 0.00 -0.78 -3.09 119.26 118.32 1ijx h ALA 36 Ca 0.20 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1ijx h ALA 36 Cb 0.35 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1ijx h ALA 36 CO 0.00 0.17 0.10 0.52 0.00 0.00 0.00 179.25 180.04 1ijx h MET 37 N 0.73 0.23 -1.05 0.00 2.86 -1.06 -2.67 114.93 113.95 1ijx h MET 37 Ca 0.19 -0.01 0.38 0.00 -2.06 0.00 0.00 59.70 58.20 1ijx h MET 37 Cb -0.02 -0.05 -0.12 0.00 0.06 0.00 0.00 31.60 31.47 1ijx h MET 37 CO -0.04 0.15 0.66 0.39 1.06 0.00 0.00 176.91 179.13 1ijx n GLU 38 N -5.05 -0.03 0.29 1.72 1.02 -1.15 0.14 120.64 117.58 1ijx n GLU 38 Ca 0.01 1.04 0.14 0.00 -0.02 0.00 0.00 57.16 58.32 1ijx n GLU 38 Cb 0.14 -2.00 0.84 0.00 -0.02 0.00 0.00 31.44 30.40 1ijx n GLU 38 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1ijx h GLN 39 N 0.00 0.00 -0.14 3.49 3.07 -1.62 -2.09 115.11 117.82 1ijx h GLN 39 Ca 0.71 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.45 1ijx h GLN 39 Cb 2.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.76 1ijx h GLN 39 CO -0.43 0.02 0.00 1.19 0.09 0.00 0.00 178.83 179.71 1ijx n PHE 40 N -3.92 0.17 -0.25 0.06 3.01 0.38 -4.29 117.46 112.63 1ijx n PHE 40 Ca -0.03 -0.09 0.02 0.00 1.01 0.00 0.00 57.45 58.36 1ijx n PHE 40 Cb 0.11 0.00 0.24 0.00 -0.01 0.00 0.00 39.48 39.82 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 2.33 1.00 0.12 -1.08 5.08 -1.47 -0.19 114.58 120.37 1ijx h GLU 41 Ca 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ijx h GLU 41 Cb 0.51 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ijx h GLU 41 CO 0.00 0.66 -0.06 0.78 -1.00 0.00 0.00 179.01 179.40 1ijx h GLY 42 N 1.03 -0.16 1.24 -3.84 0.00 -1.81 -1.89 103.07 97.63 1ijx h GLY 42 Ca 0.31 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1ijx h GLY 42 CO -0.08 -0.06 0.39 -2.00 0.00 0.00 0.00 176.54 174.79 1ijx h LEU 43 N -0.45 0.89 -1.11 3.11 5.85 -1.78 -1.60 115.31 120.22 1ijx h LEU 43 Ca -0.02 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 1ijx h LEU 43 Cb 0.36 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1ijx h LEU 43 CO 0.03 0.72 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.69 1ijx h LEU 44 N 1.00 0.51 -1.08 2.25 3.38 -0.96 -2.59 115.31 117.82 1ijx h LEU 44 Ca 0.25 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ijx h LEU 44 Cb 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ijx h LEU 44 CO -0.04 0.64 0.00 1.23 0.09 0.00 0.00 178.44 180.36 1ijx h GLY 45 N 0.91 0.00 2.00 0.83 0.00 -0.44 -2.31 103.07 104.05 1ijx h GLY 45 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ijx h GLY 45 CO 0.02 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.65 1ijx h THR 46 N 0.00 0.00 -3.98 4.70 1.35 -1.29 -3.47 112.91 110.21 1ijx h THR 46 Ca 0.00 -0.51 -0.39 0.00 -0.55 0.00 0.00 66.41 64.97 1ijx h THR 46 Cb 0.32 1.48 0.05 0.00 -1.73 0.00 0.00 68.15 68.27 1ijx h THR 46 CO 0.00 0.00 -0.56 1.41 -0.25 0.00 0.00 175.52 176.12 1ijx n HIS 47 N -2.35 -1.70 0.28 4.73 -0.00 -0.87 -4.88 115.22 110.43 1ijx n HIS 47 Ca 0.05 0.41 0.15 0.00 -0.00 0.00 0.00 57.72 58.33 1ijx n HIS 47 Cb 0.42 -4.24 0.81 0.00 -0.00 0.00 0.00 29.99 26.98 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 -5.97 -0.73 0.15 0.00 0.15 -1.26 -4.11 113.70 101.92 1ijx s SER 49 Ca -0.03 1.29 0.20 0.00 0.70 0.00 0.00 55.95 58.10 1ijx s SER 49 Cb 0.13 1.23 0.83 0.00 -1.71 0.00 0.00 66.02 66.49 1ijx s SER 49 CO 0.55 -0.22 1.60 -0.81 1.20 0.00 0.00 173.24 175.57 1ijx n PRO 50 N 3.58 0.11 -0.10 5.44 -0.04 -1.26 -2.72 135.00 140.01 1ijx n PRO 50 Ca -0.18 0.36 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 1ijx n PRO 50 Cb 0.57 -1.72 0.13 0.00 -0.04 0.00 0.00 33.50 32.44 1ijx n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ijx n ASP 51 N -1.93 2.74 -0.10 3.54 8.00 -1.26 -4.59 116.55 122.94 1ijx n ASP 51 Ca 0.03 -1.80 -0.10 0.00 0.71 0.00 0.00 54.79 53.63 1ijx n ASP 51 Cb 0.20 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 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 3.14 0.45 -0.17 0.64 5.85 -1.87 -2.05 115.31 121.30 1ijx h LEU 52 Ca 0.00 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1ijx h LEU 52 Cb 0.74 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1ijx h LEU 52 CO 0.00 0.52 0.05 0.25 -0.34 0.00 0.00 178.44 178.92 1ijx h LEU 53 N 0.35 0.05 -0.21 2.25 5.85 -1.81 -0.44 115.31 121.34 1ijx h LEU 53 Ca 0.10 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1ijx h LEU 53 Cb 0.23 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1ijx h LEU 53 CO -0.00 0.06 -0.08 0.15 -0.34 0.00 0.00 178.44 178.22 1ijx h PHE 54 N 0.13 -0.19 0.16 1.25 3.57 -1.82 0.21 116.94 120.26 1ijx h PHE 54 Ca 0.07 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1ijx h PHE 54 Cb 0.05 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1ijx h PHE 54 CO -0.12 -0.13 -0.13 0.35 -2.23 0.00 0.00 178.31 176.05 1ijx h PHE 55 N -0.05 -0.34 -0.26 0.41 3.57 -1.06 0.12 116.94 119.34 1ijx h PHE 55 Ca 0.11 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1ijx h PHE 55 Cb 0.21 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1ijx h PHE 55 CO -0.25 -0.20 0.16 -0.07 -2.23 0.00 0.00 178.31 175.71 1ijx h LEU 56 N -0.31 0.27 -0.94 0.59 3.38 -0.90 -1.96 115.31 115.43 1ijx h LEU 56 Ca -0.01 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1ijx h LEU 56 Cb 0.28 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ijx h LEU 56 CO -0.01 0.19 -0.05 0.00 0.09 0.00 0.00 178.44 178.66 1ijx h ALA 58 N 1.28 1.29 0.09 0.00 0.00 -0.44 0.54 119.26 122.02 1ijx h ALA 58 Ca 0.13 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1ijx h ALA 58 Cb 0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ijx h ALA 58 CO 0.03 0.13 -1.15 0.52 0.00 0.00 0.00 179.25 178.77 1ijx h MET 59 N 0.00 0.20 0.00 0.00 2.07 -0.47 -3.26 114.93 113.47 1ijx h MET 59 Ca -0.00 -0.34 -0.20 0.00 -2.07 0.00 0.00 59.70 57.09 1ijx h MET 59 Cb 0.31 0.13 -0.03 0.00 -1.87 0.00 0.00 31.60 30.13 1ijx h MET 59 CO 0.01 1.16 -1.13 1.88 1.07 0.00 0.00 176.91 179.91 1ijx h TYR 60 N -0.47 0.00 -1.75 -0.22 -1.99 -0.64 -1.44 116.97 110.47 1ijx h TYR 60 Ca -0.25 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 59.98 1ijx h TYR 60 Cb 1.61 0.00 -0.36 0.00 2.00 0.00 0.00 36.73 39.98 1ijx h TYR 60 CO 0.15 0.83 -1.06 0.00 -0.00 0.00 0.00 178.16 178.08 1ijx n ALA 61 N -2.38 1.85 -1.61 3.88 0.00 0.16 -4.75 120.51 117.67 1ijx n ALA 61 Ca -0.05 -3.15 -0.38 0.00 0.00 0.00 0.00 53.44 49.86 1ijx n ALA 61 Cb 0.91 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 1.06 0.92 -1.78 0.00 -0.04 -1.23 -4.64 135.00 129.30 1ijx n PRO 62 Ca 0.21 0.36 -0.41 0.00 -0.04 0.00 0.00 63.50 63.61 1ijx n PRO 62 Cb 0.58 -2.16 -0.00 0.00 -0.04 0.00 0.00 33.50 31.88 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 -1.67 1.98 -2.71 0.52 3.06 -1.26 -3.49 119.36 115.80 1ijx n ILE 63 Ca 0.13 -0.50 -0.41 0.00 -2.50 0.00 0.00 62.75 59.47 1ijx n ILE 63 Cb 0.47 -1.99 -0.04 0.00 0.54 0.00 0.00 39.64 38.62 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 0.37 0.09 0.18 0.00 -4.23 -1.26 -4.99 115.64 105.81 1ijx s THR 65 Ca 0.49 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1ijx s THR 65 Cb -0.23 -0.74 -0.10 0.00 1.34 0.00 0.00 72.50 72.77 1ijx s THR 65 CO 0.29 -0.42 1.45 0.40 -0.54 0.00 0.00 174.62 175.80 1ijx h ILE 66 N 3.72 1.40 -4.24 2.99 2.04 -2.01 -3.43 117.51 117.99 1ijx h ILE 66 Ca -0.31 -2.20 -0.48 0.00 1.00 0.00 0.00 64.86 62.87 1ijx h ILE 66 Cb 1.19 2.16 0.12 0.00 -0.74 0.00 0.00 36.82 39.55 1ijx h ILE 66 CO 0.45 0.65 0.31 -1.81 0.00 0.00 0.00 178.15 177.75 1ijx s ASP 67 N -6.95 4.07 -1.09 1.72 1.01 -1.26 -4.08 116.67 110.09 1ijx s ASP 67 Ca -0.05 1.24 -0.19 0.00 0.71 0.00 0.00 52.55 54.27 1ijx s ASP 67 Cb 0.11 -1.93 -0.01 0.00 1.01 0.00 0.00 42.92 42.10 1ijx s ASP 67 CO 0.83 -2.23 0.77 0.49 0.21 0.00 0.00 175.17 175.24 1ijx n PHE 68 N -3.59 -1.97 0.10 4.23 3.72 -1.26 -4.90 117.46 113.79 1ijx n PHE 68 Ca 0.07 0.51 -0.05 0.00 -0.05 0.00 0.00 57.45 57.93 1ijx n PHE 68 Cb 0.57 -3.40 0.07 0.00 -0.94 0.00 0.00 39.48 35.77 1ijx n PHE 68 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1ijx h GLN 69 N -1.63 0.12 0.05 -1.08 4.15 -1.83 -3.28 115.11 111.61 1ijx h GLN 69 Ca -0.62 -0.11 -0.35 0.00 0.77 0.00 0.00 58.65 58.34 1ijx h GLN 69 Cb 1.34 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 29.01 1ijx h GLN 69 CO 0.46 0.81 -2.05 0.72 -1.93 0.00 0.00 178.83 176.84 1ijx n HIS 70 N -3.72 0.80 -3.85 3.99 8.25 -1.26 -4.73 115.22 114.70 1ijx n HIS 70 Ca -0.02 0.21 -0.30 0.00 -0.26 0.00 0.00 57.72 57.35 1ijx n HIS 70 Cb 0.72 -1.12 -0.15 0.00 1.12 0.00 0.00 29.99 30.56 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 -2.55 1.02 1.10 -0.41 2.12 -1.26 -4.60 118.70 114.12 1ijx s GLU 71 Ca -0.18 -1.40 -0.13 0.00 0.36 0.00 0.00 54.97 53.62 1ijx s GLU 71 Cb 0.07 -2.47 0.20 0.00 0.26 0.00 0.00 34.13 32.19 1ijx s GLU 71 CO 0.77 -0.97 0.77 -0.35 -0.54 0.00 0.00 175.26 174.94 1ijx n PRO 72 N 4.60 -1.72 -1.87 4.30 -0.04 -1.24 -4.75 135.00 134.28 1ijx n PRO 72 Ca 0.00 -0.47 -0.37 0.00 -0.04 0.00 0.00 63.50 62.63 1ijx n PRO 72 Cb 0.42 -2.08 0.05 0.00 -0.04 0.00 0.00 33.50 31.85 1ijx n PRO 72 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ijx s ILE 73 N -2.41 2.30 0.33 0.52 2.07 -1.26 -5.03 121.20 117.72 1ijx s ILE 73 Ca 0.65 0.19 0.09 0.00 -1.41 0.00 0.00 60.65 60.17 1ijx s ILE 73 Cb -0.22 -3.08 -0.05 0.00 0.13 0.00 0.00 42.46 39.24 1ijx s ILE 73 CO 0.64 -0.03 0.07 -0.54 -1.91 0.00 0.00 174.94 173.17 1ijx s LYS 74 N -3.23 2.25 0.60 3.50 1.02 -1.26 -4.64 119.74 117.97 1ijx s LYS 74 Ca 0.78 -1.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.00 1ijx s LYS 74 Cb -0.35 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1ijx s LYS 74 CO 0.39 0.16 1.07 -1.25 -0.92 0.00 0.00 175.35 174.80 1ijx s PRO 75 N -3.77 3.24 0.53 -1.68 0.04 -1.26 -1.43 135.00 130.66 1ijx s PRO 75 Ca 0.36 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 62.48 1ijx s PRO 75 Cb -0.02 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1ijx s PRO 75 CO 0.21 -0.88 1.09 0.00 0.04 0.00 0.00 177.00 177.46 1ijx h LYS 77 N 1.29 0.82 -0.79 0.00 3.64 -1.92 -1.74 116.57 117.86 1ijx h LYS 77 Ca -0.50 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 58.87 1ijx h LYS 77 Cb 1.25 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.83 1ijx h LYS 77 CO 0.58 0.54 0.49 0.66 -2.27 0.00 0.00 179.45 179.45 1ijx h SER 78 N 0.84 0.80 0.16 4.20 4.64 -1.95 -0.00 113.55 122.24 1ijx h SER 78 Ca 0.52 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.69 1ijx h SER 78 Cb 0.71 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1ijx h SER 78 CO -0.30 0.54 -0.58 1.62 -0.87 0.00 0.00 176.83 177.25 1ijx h VAL 79 N 0.95 1.35 -0.28 0.95 3.04 -1.70 -1.27 116.25 119.28 1ijx h VAL 79 Ca 0.32 -1.87 -0.01 0.00 -1.01 0.00 0.00 66.70 64.13 1ijx h VAL 79 Cb 0.06 1.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.19 1ijx h VAL 79 CO -0.13 0.57 0.15 0.00 -1.01 0.00 0.00 177.57 177.15 1ijx h GLU 81 N 0.33 0.84 -0.70 0.00 5.08 -0.85 0.83 114.58 120.11 1ijx h GLU 81 Ca 0.10 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1ijx h GLU 81 Cb 0.08 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1ijx h GLU 81 CO -0.01 0.61 0.29 0.00 -1.00 0.00 0.00 179.01 178.89 1ijx h ARG 82 N 0.83 1.03 0.06 2.33 3.08 -0.91 0.20 114.38 121.01 1ijx h ARG 82 Ca 0.22 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ijx h ARG 82 Cb -0.00 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1ijx h ARG 82 CO -0.04 0.85 -0.03 0.00 -1.07 0.00 0.00 179.97 179.68 1ijx h ALA 83 N 1.13 -0.08 -0.46 0.04 0.00 -0.65 -2.53 119.26 116.70 1ijx h ALA 83 Ca 0.23 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ijx h ALA 83 Cb 0.20 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1ijx h ALA 83 CO -0.02 -0.50 0.22 -0.09 0.00 0.00 0.00 179.25 178.86 1ijx h ARG 84 N -0.18 0.43 -0.27 0.00 2.43 -0.54 -1.01 114.38 115.24 1ijx h ARG 84 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ijx h ARG 84 Cb 0.15 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1ijx h ARG 84 CO 0.01 0.29 0.17 1.96 -1.51 0.00 0.00 179.97 180.89 1ijx h GLN 85 N 0.44 0.36 0.01 0.20 7.50 -0.45 0.29 115.11 123.45 1ijx h GLN 85 Ca 0.20 -0.02 -0.27 0.00 0.50 0.00 0.00 58.65 59.06 1ijx h GLN 85 Cb 0.13 -0.08 -0.04 0.00 0.05 0.00 0.00 27.48 27.53 1ijx h GLN 85 CO -0.15 0.25 -1.52 0.78 -1.50 0.00 0.00 178.83 176.68 1ijx h GLY 86 N 0.39 0.02 0.19 3.46 0.00 -1.08 -3.41 103.07 102.64 1ijx h GLY 86 Ca 0.10 -0.05 -0.23 0.00 0.00 0.00 0.00 47.33 47.15 1ijx h GLY 86 CO -0.02 0.05 -2.09 0.00 0.00 0.00 0.00 176.54 174.47 1ijx h GLU 88 N 0.00 0.83 -0.95 0.00 4.81 -0.65 -1.35 114.58 117.27 1ijx h GLU 88 Ca -0.32 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 58.97 1ijx h GLU 88 Cb 1.77 -0.19 -0.07 0.00 0.63 0.00 0.00 28.75 30.89 1ijx h GLU 88 CO 0.03 0.55 0.61 -1.35 -0.73 0.00 0.00 179.01 178.11 1ijx h PRO 89 N 0.85 0.92 0.80 0.92 0.11 -1.79 0.56 132.00 134.36 1ijx h PRO 89 Ca 0.39 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.40 1ijx h PRO 89 Cb 0.29 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 31.20 1ijx h PRO 89 CO -0.22 0.61 -0.38 0.82 -0.21 0.00 0.00 178.00 178.62 1ijx h ILE 90 N 0.95 0.11 -0.87 4.15 1.08 -1.52 0.15 117.51 121.56 1ijx h ILE 90 Ca 0.45 -0.15 0.11 0.00 -0.39 0.00 0.00 64.86 64.88 1ijx h ILE 90 Cb 0.43 0.13 -0.08 0.00 -3.07 0.00 0.00 36.82 34.24 1ijx h ILE 90 CO -0.21 0.01 0.51 -0.07 -0.69 0.00 0.00 178.15 177.70 1ijx h LEU 91 N -1.20 0.72 -0.21 1.44 3.38 -0.77 -1.89 115.31 116.78 1ijx h LEU 91 Ca -0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1ijx h LEU 91 Cb 0.84 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1ijx h LEU 91 CO 0.18 0.39 0.10 0.40 0.09 0.00 0.00 178.44 179.60 1ijx h ILE 92 N 0.82 1.14 -0.34 1.22 2.04 0.24 -2.26 117.51 120.37 1ijx h ILE 92 Ca 0.43 -0.40 0.10 0.00 1.00 0.00 0.00 64.86 65.99 1ijx h ILE 92 Cb 0.43 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1ijx h ILE 92 CO -0.27 0.13 0.58 0.50 0.00 0.00 0.00 178.15 179.10 1ijx h LYS 93 N 0.21 0.00 0.00 2.37 3.64 0.15 -3.41 116.57 119.53 1ijx h LYS 93 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1ijx h LYS 93 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1ijx h LYS 93 CO -0.01 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.83 1ijx n TYR 94 N -3.28 0.00 -2.20 1.91 4.02 -0.88 -5.03 117.16 111.70 1ijx n TYR 94 Ca 0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.55 1ijx n TYR 94 Cb 0.72 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.07 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 0.00 3.78 -3.83 -0.72 1.74 -1.25 -4.97 116.66 111.40 1ijx n ARG 95 Ca 0.00 -3.97 -0.08 0.00 -0.77 0.00 0.00 57.85 53.04 1ijx n ARG 95 Cb 0.00 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.10 1ijx n ARG 95 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1ijx s HIS 96 N -4.17 -0.03 0.25 -1.55 3.76 -1.05 -5.08 115.29 107.41 1ijx s HIS 96 Ca 0.47 -0.53 -0.08 0.00 -0.15 0.00 0.00 55.06 54.77 1ijx s HIS 96 Cb 0.34 0.77 -0.01 0.00 1.11 0.00 0.00 32.58 34.79 1ijx s HIS 96 CO -0.31 -1.39 0.39 -1.54 -0.85 0.00 0.00 174.74 171.04 1ijx s SER 97 N -3.00 0.13 -0.04 1.40 1.04 -1.26 -3.26 113.70 108.71 1ijx s SER 97 Ca 0.13 -1.14 -0.30 0.00 0.48 0.00 0.00 55.95 55.13 1ijx s SER 97 Cb -0.05 0.54 -0.07 0.00 0.10 0.00 0.00 66.02 66.54 1ijx s SER 97 CO 0.09 -1.09 1.88 0.86 0.98 0.00 0.00 173.24 175.96 1ijx s TRP 98 N -3.91 1.52 0.41 5.02 -0.11 -1.26 -4.92 118.94 115.69 1ijx s TRP 98 Ca 0.28 -0.10 -0.23 0.00 1.22 0.00 0.00 56.10 57.27 1ijx s TRP 98 Cb 0.01 -4.10 -0.12 0.00 -1.50 0.00 0.00 33.47 27.76 1ijx s TRP 98 CO 0.12 -4.74 0.67 -2.30 -4.62 0.00 0.00 176.95 166.07 1ijx n PRO 99 N 7.57 0.75 -0.01 5.86 -0.02 -1.26 -4.90 135.00 142.99 1ijx n PRO 99 Ca 0.20 0.27 -0.06 0.00 -2.02 0.00 0.00 63.50 61.90 1ijx n PRO 99 Cb 0.42 -1.63 0.14 0.00 -0.02 0.00 0.00 33.50 32.41 1ijx n PRO 99 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ijx h GLU 100 N 1.00 0.55 0.00 -0.52 5.08 -2.00 -2.51 114.58 116.18 1ijx h GLU 100 Ca -0.41 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1ijx h GLU 100 Cb 1.38 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1ijx h GLU 100 CO 0.53 0.80 0.00 -1.13 -1.00 0.00 0.00 179.01 178.21 1ijx n SER 101 N -4.07 0.50 -0.57 1.42 3.41 -1.26 -1.92 113.62 111.13 1ijx n SER 101 Ca -0.01 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.34 1ijx n SER 101 Cb 0.46 -0.75 0.21 0.00 -0.26 0.00 0.00 64.21 63.88 1ijx n SER 101 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ijx n LEU 102 N -2.08 3.28 -4.68 1.04 4.77 -0.95 -4.99 117.00 113.38 1ijx n LEU 102 Ca 0.01 -3.06 -0.44 0.00 -0.03 0.00 0.00 56.01 52.50 1ijx n LEU 102 Cb 0.16 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 1ijx n LEU 102 CO 0.15 0.69 1.49 0.00 -1.33 0.00 0.00 177.39 178.39 1ijx n ALA 103 N -0.89 1.69 -0.19 -1.18 0.00 -0.81 -4.88 120.51 114.26 1ijx n ALA 103 Ca 0.19 0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.85 1ijx n ALA 103 Cb 0.79 -2.58 0.05 0.00 0.00 0.00 0.00 19.45 17.72 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 -4.18 4.80 0.00 0.00 9.92 -1.26 -2.57 116.55 123.26 1ijx n ASP 105 Ca 0.03 -2.27 0.00 0.00 -0.53 0.00 0.00 54.79 52.02 1ijx n ASP 105 Cb 0.34 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 1ijx n ASP 105 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ijx n GLU 106 N 1.53 0.00 -0.02 -1.24 -0.58 -1.16 -4.95 120.64 114.22 1ijx n GLU 106 Ca 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 1ijx n GLU 106 Cb 0.45 -0.10 -0.08 0.00 -0.57 0.00 0.00 31.44 31.15 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 0.00 0.77 -9.48 -4.62 3.38 -1.57 -3.45 115.31 100.33 1ijx h LEU 107 Ca 0.00 -0.64 -0.58 0.00 0.09 0.00 0.00 57.88 56.74 1ijx h LEU 107 Cb 0.48 -0.23 0.05 0.00 0.09 0.00 0.00 40.66 41.06 1ijx h LEU 107 CO 0.00 1.29 0.85 -2.65 0.09 0.00 0.00 178.44 178.02 1ijx n PRO 108 N -4.09 2.20 -3.10 1.13 -0.02 -1.26 -4.90 135.00 124.95 1ijx n PRO 108 Ca -0.08 0.79 -0.45 0.00 -2.02 0.00 0.00 63.50 61.74 1ijx n PRO 108 Cb 0.68 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 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 1.36 5.20 0.54 -1.45 1.01 -1.26 -4.88 120.40 120.92 1ijx s VAL 109 Ca 0.80 -2.24 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1ijx s VAL 109 Cb -0.67 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.03 1ijx s VAL 109 CO 0.39 -1.34 0.85 0.00 0.00 0.00 0.00 175.10 175.00 1ijx n TYR 110 N 5.15 0.00 -0.01 5.22 9.36 -1.26 -1.02 117.16 134.60 1ijx n TYR 110 Ca 0.23 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.32 1ijx n TYR 110 Cb 0.46 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.07 1ijx n TYR 110 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1ijx h ASP 111 N 0.00 -0.05 -3.32 2.98 3.32 -2.02 -3.44 116.42 113.89 1ijx h ASP 111 Ca 0.00 -0.59 -0.67 0.00 0.02 0.00 0.00 57.03 55.79 1ijx h ASP 111 Cb 1.70 0.01 -0.31 0.00 0.22 0.00 0.00 39.33 40.95 1ijx h ASP 111 CO 0.00 0.61 -0.77 0.00 -1.72 0.00 0.00 179.24 177.35 1ijx s ARG 112 N -3.37 3.10 -1.34 3.56 1.70 -0.19 -5.05 118.95 117.38 1ijx s ARG 112 Ca -0.16 -0.79 -0.08 0.00 -0.47 0.00 0.00 55.73 54.23 1ijx s ARG 112 Cb -0.00 -2.86 -0.07 0.00 -0.57 0.00 0.00 34.95 31.45 1ijx s ARG 112 CO 0.61 -0.26 2.93 0.41 -1.08 0.00 0.00 175.30 177.91 1ijx n GLY 113 N 4.70 4.30 2.97 3.88 0.00 -1.26 -4.59 105.19 115.19 1ijx n GLY 113 Ca -0.19 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 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 1.23 -0.00 0.19 1.61 0.11 -1.26 -5.16 120.40 117.11 1ijx s VAL 114 Ca 0.66 0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 59.64 1ijx s VAL 114 Cb 0.20 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.89 1ijx s VAL 114 CO -0.07 0.01 0.31 0.00 -3.33 0.00 0.00 175.10 172.02 1ijx s ILE 116 N -4.00 3.85 0.13 0.00 -4.36 -0.51 -4.80 121.20 111.51 1ijx s ILE 116 Ca 0.21 -0.92 0.01 0.00 -0.26 0.00 0.00 60.65 59.69 1ijx s ILE 116 Cb 0.03 -2.78 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 1ijx s ILE 116 CO 0.03 0.22 -0.02 -0.44 0.24 0.00 0.00 174.94 174.98 1ijx s SER 117 N -1.97 0.96 0.62 4.36 0.01 -1.26 -1.02 113.70 115.40 1ijx s SER 117 Ca 0.22 -1.10 -0.10 0.00 1.31 0.00 0.00 55.95 56.28 1ijx s SER 117 Cb -0.11 0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.25 1ijx s SER 117 CO 0.14 -0.56 1.00 -2.16 0.41 0.00 0.00 173.24 172.06 1ijx s PRO 118 N -3.91 3.27 0.02 12.44 0.04 -1.26 -5.08 135.00 140.52 1ijx s PRO 118 Ca 0.18 0.48 0.01 0.00 0.04 0.00 0.00 61.00 61.71 1ijx s PRO 118 Cb 0.06 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1ijx s PRO 118 CO -0.01 -0.68 -0.04 -2.00 0.04 0.00 0.00 177.00 174.31 1ijx s GLU 119 N -5.15 0.33 0.45 4.56 2.56 -1.26 -5.14 118.70 115.06 1ijx s GLU 119 Ca 0.55 -0.56 -0.24 0.00 0.00 0.00 0.00 54.97 54.72 1ijx s GLU 119 Cb -0.11 -0.00 -0.09 0.00 2.00 0.00 0.00 34.13 35.93 1ijx s GLU 119 CO 0.51 -0.02 1.14 0.00 -0.56 0.00 0.00 175.26 176.33 1ijx n ALA 120 N 1.77 0.74 -2.32 6.30 0.00 -1.26 -5.02 120.51 120.72 1ijx n ALA 120 Ca -0.22 0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 1ijx n ALA 120 Cb 0.56 -2.18 -0.10 0.00 0.00 0.00 0.00 19.45 17.72 1ijx n ALA 120 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1ijx s ILE 121 N -1.27 1.13 -0.15 0.00 -4.36 -1.26 -5.13 121.20 110.16 1ijx s ILE 121 Ca 0.64 -1.93 -0.19 0.00 -0.26 0.00 0.00 60.65 58.91 1ijx s ILE 121 Cb -0.51 -1.71 -0.04 0.00 1.25 0.00 0.00 42.46 41.46 1ijx s ILE 121 CO 0.55 -0.67 0.52 -0.69 0.24 0.00 0.00 174.94 174.90 1ijx s VAL 122 N -3.01 5.14 0.26 8.37 1.01 -1.26 -5.05 120.40 125.85 1ijx s VAL 122 Ca 0.13 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 63.01 1ijx s VAL 122 Cb 0.01 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 1ijx s VAL 122 CO 0.01 0.25 0.49 0.42 0.00 0.00 0.00 175.10 176.27 1ijx s THR 123 N 1.07 0.00 0.00 3.92 -4.23 -1.26 -5.33 115.64 109.81 1ijx s THR 123 Ca 0.27 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1ijx s THR 123 Cb -0.15 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1ijx s THR 123 CO 0.11 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.19