#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 2.75 0.28 0.00 0.00 -1.26 -5.08 121.76 118.45 1ijx s ALA 2 Ca 0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 1ijx s ALA 2 Cb 0.00 -1.51 -0.13 0.00 0.00 0.00 0.00 23.12 21.49 1ijx s ALA 2 CO 0.00 -0.14 1.39 0.00 0.00 0.00 0.00 175.76 177.01 1ijx s GLU 4 N -0.94 1.35 0.38 0.00 -1.05 0.59 -4.93 118.70 114.10 1ijx s GLU 4 Ca 0.63 -1.62 -0.28 0.00 -0.15 0.00 0.00 54.97 53.56 1ijx s GLU 4 Cb -0.60 -1.07 -0.10 0.00 -0.44 0.00 0.00 34.13 31.92 1ijx s GLU 4 CO 0.54 0.14 1.44 -2.14 0.95 0.00 0.00 175.26 176.19 1ijx s PRO 5 N -3.67 4.07 0.25 -4.83 0.02 -1.26 -0.88 135.00 128.70 1ijx s PRO 5 Ca 0.23 2.47 -0.30 0.00 0.02 0.00 0.00 61.00 63.43 1ijx s PRO 5 Cb 0.00 -2.92 -0.10 0.00 0.02 0.00 0.00 34.50 31.51 1ijx s PRO 5 CO 0.07 -0.53 1.40 0.08 -0.33 0.00 0.00 177.00 177.70 1ijx s VAL 6 N -1.14 2.77 0.00 3.83 1.01 -0.33 -4.76 120.40 121.77 1ijx s VAL 6 Ca 0.54 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1ijx s VAL 6 Cb -0.45 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1ijx s VAL 6 CO 0.60 0.11 0.36 0.54 0.00 0.00 0.00 175.10 176.71 1ijx n ARG 7 N 2.22 -0.24 -2.66 2.72 1.74 -1.26 -5.00 116.66 114.18 1ijx n ARG 7 Ca 0.06 -0.36 -0.43 0.00 -0.77 0.00 0.00 57.85 56.35 1ijx n ARG 7 Cb 0.41 -0.86 -0.02 0.00 -1.02 0.00 0.00 32.46 30.97 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 -0.07 4.70 0.15 0.55 1.01 -1.26 -4.95 121.20 121.33 1ijx s ILE 8 Ca 0.00 2.02 -0.26 0.00 0.00 0.00 0.00 60.65 62.41 1ijx s ILE 8 Cb 0.00 -4.30 -0.00 0.00 0.01 0.00 0.00 42.46 38.16 1ijx s ILE 8 CO 0.00 -0.13 1.59 -0.65 0.00 0.00 0.00 174.94 175.75 1ijx h PRO 9 N 7.37 -0.35 -0.19 2.79 0.11 -1.97 -1.96 132.00 137.80 1ijx h PRO 9 Ca -0.23 0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.96 1ijx h PRO 9 Cb 1.09 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1ijx h PRO 9 CO 0.94 -0.24 0.16 -0.07 -0.21 0.00 0.00 178.00 178.59 1ijx h LEU 10 N -0.37 0.00 -0.00 2.35 3.38 -2.01 -1.81 115.31 116.85 1ijx h LEU 10 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ijx h LEU 10 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1ijx h LEU 10 CO -0.48 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 177.78 1ijx h LYS 12 N 0.01 0.00 0.00 0.00 1.57 -1.18 -1.22 116.57 115.75 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 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1ijx h LYS 12 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 1ijx h SER 13 N 0.00 0.00 -4.22 0.86 4.64 -1.79 -3.46 113.55 109.57 1ijx h SER 13 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.84 1ijx h SER 13 Cb 0.18 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.31 1ijx h SER 13 CO -0.00 0.00 0.38 -0.76 -0.87 0.00 0.00 176.83 175.58 1ijx s LEU 14 N -4.62 3.49 0.29 5.97 1.43 -0.46 -4.98 118.68 119.79 1ijx s LEU 14 Ca 0.10 1.65 0.03 0.00 -1.03 0.00 0.00 54.13 54.88 1ijx s LEU 14 Cb 0.12 -4.51 0.73 0.00 0.03 0.00 0.00 46.19 42.56 1ijx s LEU 14 CO 0.58 -0.90 1.66 -0.65 0.23 0.00 0.00 176.35 177.27 1ijx h PRO 15 N 0.47 0.25 -6.22 1.29 0.11 -1.89 -3.42 132.00 122.59 1ijx h PRO 15 Ca -0.46 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.06 1ijx h PRO 15 Cb 1.20 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1ijx h PRO 15 CO 0.60 0.17 -0.25 1.67 -0.21 0.00 0.00 178.00 179.97 1ijx s TRP 16 N -5.91 3.49 0.00 0.65 -2.14 -1.26 -4.98 118.94 108.79 1ijx s TRP 16 Ca -0.12 0.68 0.00 0.00 2.66 0.00 0.00 56.10 59.32 1ijx s TRP 16 Cb 0.26 -2.10 0.00 0.00 -3.10 0.00 0.00 33.47 28.53 1ijx s TRP 16 CO 0.77 0.42 0.31 0.39 -2.66 0.00 0.00 176.95 176.17 1ijx n GLU 17 N 0.22 1.73 -4.98 3.25 1.02 -1.26 -4.96 120.64 115.66 1ijx n GLU 17 Ca -0.03 -0.31 -0.32 0.00 -0.02 0.00 0.00 57.16 56.48 1ijx n GLU 17 Cb 0.52 -0.80 -0.15 0.00 -0.02 0.00 0.00 31.44 30.99 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 -0.33 3.09 0.40 3.49 -1.94 -1.26 -1.19 119.30 121.55 1ijx s MET 18 Ca 0.00 -0.77 0.05 0.00 -1.71 0.00 0.00 55.69 53.26 1ijx s MET 18 Cb 0.00 -2.45 -0.02 0.00 2.01 0.00 0.00 34.83 34.37 1ijx s MET 18 CO 0.00 0.27 0.17 -2.37 -0.01 0.00 0.00 175.02 173.08 1ijx n THR 19 N 3.32 0.00 -3.70 2.05 5.66 -0.06 -1.22 114.28 120.33 1ijx n THR 19 Ca -0.18 -2.42 -0.14 0.00 -3.05 0.00 0.00 64.05 58.26 1ijx n THR 19 Cb 0.53 0.93 -0.08 0.00 -1.55 0.00 0.00 70.33 70.15 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 -3.54 0.71 0.23 1.09 2.20 -1.23 -0.30 119.74 118.90 1ijx s LYS 20 Ca 0.25 0.10 0.08 0.00 -0.36 0.00 0.00 55.97 56.03 1ijx s LYS 20 Cb 0.01 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 1ijx s LYS 20 CO 0.17 -0.18 0.05 -1.64 -0.36 0.00 0.00 175.35 173.39 1ijx s MET 21 N -0.91 2.51 0.55 4.03 -1.94 -1.26 -4.29 119.30 117.99 1ijx s MET 21 Ca -0.10 -1.20 -0.19 0.00 -1.71 0.00 0.00 55.69 52.49 1ijx s MET 21 Cb -0.04 -2.35 -0.05 0.00 2.01 0.00 0.00 34.83 34.41 1ijx s MET 21 CO 0.04 0.41 1.11 -1.25 -0.01 0.00 0.00 175.02 175.32 1ijx s PRO 22 N -3.45 3.34 0.05 2.03 0.04 -1.26 -4.55 135.00 131.20 1ijx s PRO 22 Ca 0.30 1.51 -0.00 0.00 0.04 0.00 0.00 61.00 62.85 1ijx s PRO 22 Cb -0.08 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1ijx s PRO 22 CO 0.21 -0.84 0.07 0.27 0.04 0.00 0.00 177.00 176.75 1ijx n ASN 23 N -1.46 0.04 0.00 6.66 0.23 -1.17 -4.64 115.26 114.91 1ijx n ASN 23 Ca 0.11 -1.05 0.02 0.00 -0.53 0.00 0.00 54.58 53.14 1ijx n ASN 23 Cb 0.51 -0.05 0.15 0.00 -2.08 0.00 0.00 39.78 38.31 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 -1.78 0.00 0.24 -2.53 8.25 -0.55 -1.41 115.22 117.43 1ijx n HIS 24 Ca 0.01 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.52 1ijx n HIS 24 Cb 0.03 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.58 2.06 -1.55 2.41 7.99 -1.26 -4.98 117.00 121.09 1ijx n LEU 25 Ca 0.04 -1.28 -0.13 0.00 -0.01 0.00 0.00 56.01 54.62 1ijx n LEU 25 Cb 0.02 -0.06 -0.00 0.00 -0.11 0.00 0.00 43.42 43.27 1ijx n LEU 25 CO 0.03 0.45 -0.16 1.41 -1.51 0.00 0.00 177.39 177.60 1ijx n HIS 26 N 0.48 -0.67 -2.60 -1.77 8.25 -0.50 -5.00 115.22 113.41 1ijx n HIS 26 Ca 0.07 0.02 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 1ijx n HIS 26 Cb 0.28 -2.92 -0.04 0.00 1.12 0.00 0.00 29.99 28.42 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 -2.68 3.71 0.12 4.41 3.76 -1.26 -4.82 115.29 118.53 1ijx s HIS 27 Ca 0.01 1.71 -0.04 0.00 -0.15 0.00 0.00 55.06 56.59 1ijx s HIS 27 Cb -0.00 -3.18 -0.12 0.00 1.11 0.00 0.00 32.58 30.39 1ijx s HIS 27 CO 0.01 -0.24 1.28 0.66 -0.85 0.00 0.00 174.74 175.60 1ijx h SER 28 N 4.97 0.49 -3.64 1.40 4.64 -1.96 -3.10 113.55 116.34 1ijx h SER 28 Ca -0.44 -0.41 -0.46 0.00 -0.47 0.00 0.00 61.79 60.00 1ijx h SER 28 Cb 1.21 -0.15 -0.17 0.00 -0.31 0.00 0.00 62.40 62.98 1ijx h SER 28 CO 0.71 1.23 -0.76 0.42 -0.87 0.00 0.00 176.83 177.56 1ijx s THR 29 N -3.16 1.61 -0.23 2.95 -4.23 -1.26 -4.71 115.64 106.62 1ijx s THR 29 Ca -0.05 -1.93 0.27 0.00 -1.18 0.00 0.00 61.69 58.80 1ijx s THR 29 Cb 0.09 -1.79 0.29 0.00 1.34 0.00 0.00 72.50 72.42 1ijx s THR 29 CO 0.87 -0.44 1.82 -0.61 -0.54 0.00 0.00 174.62 175.71 1ijx h GLN 30 N 3.14 0.00 -0.44 3.99 4.15 -1.95 -2.54 115.11 121.47 1ijx h GLN 30 Ca -0.40 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 58.93 1ijx h GLN 30 Cb 1.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 1ijx h GLN 30 CO 0.54 0.00 -0.07 0.00 -1.93 0.00 0.00 178.83 177.37 1ijx h ALA 31 N 2.15 1.05 -0.04 3.38 0.00 -1.99 -1.63 119.26 122.18 1ijx h ALA 31 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 1ijx h ALA 31 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ijx h ALA 31 CO 0.00 0.58 -0.75 -0.91 0.00 0.00 0.00 179.25 178.18 1ijx h ASN 32 N 0.70 0.29 -0.37 0.00 2.35 -1.88 -2.98 115.58 113.70 1ijx h ASN 32 Ca 0.13 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 1ijx h ASN 32 Cb 0.54 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1ijx h ASN 32 CO 0.03 0.93 -0.09 0.00 -1.65 0.00 0.00 177.43 176.66 1ijx h ALA 33 N 1.06 1.01 -0.78 -0.83 0.00 -1.49 -2.37 119.26 115.86 1ijx h ALA 33 Ca -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1ijx h ALA 33 Cb 1.32 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1ijx h ALA 33 CO 0.12 0.60 0.35 0.82 0.00 0.00 0.00 179.25 181.13 1ijx h ILE 34 N 0.72 1.25 -0.39 0.00 2.04 -1.20 -0.96 117.51 118.97 1ijx h ILE 34 Ca 0.13 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 1ijx h ILE 34 Cb 0.56 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1ijx h ILE 34 CO 0.03 0.31 -0.04 -0.07 0.00 0.00 0.00 178.15 178.38 1ijx h LEU 35 N 1.11 0.71 -0.50 1.44 3.38 -1.36 -2.96 115.31 117.12 1ijx h LEU 35 Ca 0.26 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1ijx h LEU 35 Cb 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1ijx h LEU 35 CO -0.03 0.87 0.25 0.00 0.09 0.00 0.00 178.44 179.62 1ijx h ALA 36 N 0.86 0.65 -0.62 1.53 0.00 -1.21 -3.12 119.26 117.35 1ijx h ALA 36 Ca 0.10 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1ijx h ALA 36 Cb 0.53 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1ijx h ALA 36 CO 0.03 0.20 0.31 0.52 0.00 0.00 0.00 179.25 180.31 1ijx h MET 37 N 0.67 0.55 0.00 0.00 2.86 -1.10 -1.00 114.93 116.91 1ijx h MET 37 Ca 0.17 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1ijx h MET 37 Cb 0.10 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1ijx h MET 37 CO -0.02 0.37 0.25 1.05 1.06 0.00 0.00 176.91 179.61 1ijx h GLU 38 N 0.57 0.00 0.00 1.72 4.11 -1.45 0.51 114.58 120.04 1ijx h GLU 38 Ca 0.28 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.70 1ijx h GLU 38 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ijx h GLU 38 CO -0.21 0.00 -0.08 1.96 0.07 0.00 0.00 179.01 180.75 1ijx h GLN 39 N 0.00 0.00 -0.19 1.06 1.08 -1.28 -2.96 115.11 112.81 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 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1ijx h GLN 39 CO 0.00 0.08 0.00 1.19 -0.95 0.00 0.00 178.83 179.15 1ijx n PHE 40 N -3.19 0.24 -0.16 2.96 3.01 0.18 -4.44 117.46 116.06 1ijx n PHE 40 Ca 0.01 -0.12 -0.03 0.00 1.01 0.00 0.00 57.45 58.32 1ijx n PHE 40 Cb 0.39 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.89 1ijx n PHE 40 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1ijx h GLU 41 N 3.54 -0.02 -0.48 -1.08 4.57 -1.55 0.12 114.58 119.68 1ijx h GLU 41 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1ijx h GLU 41 Cb 0.77 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1ijx h GLU 41 CO 0.00 -0.01 -0.02 0.78 -1.18 0.00 0.00 179.01 178.58 1ijx h GLY 42 N -0.02 0.92 1.02 1.92 0.00 -1.83 -2.01 103.07 103.08 1ijx h GLY 42 Ca 0.24 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 1ijx h GLY 42 CO -0.52 0.64 0.10 -2.00 0.00 0.00 0.00 176.54 174.75 1ijx h LEU 43 N 0.71 0.92 -1.50 3.11 5.85 -1.73 -2.24 115.31 120.43 1ijx h LEU 43 Ca 0.13 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1ijx h LEU 43 Cb 0.53 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1ijx h LEU 43 CO 0.03 0.94 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.97 1ijx h LEU 44 N 0.86 0.26 -0.98 2.25 3.38 -0.90 -2.20 115.31 117.96 1ijx h LEU 44 Ca 0.18 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ijx h LEU 44 Cb 0.41 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ijx h LEU 44 CO 0.01 0.34 0.00 1.23 0.09 0.00 0.00 178.44 180.11 1ijx h GLY 45 N 0.62 0.00 2.00 0.83 0.00 -0.74 -2.93 103.07 102.84 1ijx h GLY 45 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1ijx h GLY 45 CO 0.01 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.25 1ijx n THR 46 N -2.74 0.60 -2.75 4.70 -2.24 -0.83 -4.92 114.28 106.11 1ijx n THR 46 Ca 0.02 -0.22 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 1ijx n THR 46 Cb 0.31 -0.65 0.02 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.24 -1.54 0.30 4.78 -0.00 -1.11 -4.87 115.22 110.56 1ijx n HIS 47 Ca 0.05 0.30 0.18 0.00 -0.00 0.00 0.00 57.72 58.25 1ijx n HIS 47 Cb 0.41 -4.26 0.81 0.00 -0.00 0.00 0.00 29.99 26.95 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 -5.25 -0.94 0.00 0.00 0.15 -1.26 -4.05 113.70 102.35 1ijx s SER 49 Ca -0.00 1.46 0.13 0.00 0.70 0.00 0.00 55.95 58.24 1ijx s SER 49 Cb 0.10 1.52 0.59 0.00 -1.71 0.00 0.00 66.02 66.52 1ijx s SER 49 CO 0.46 -0.23 1.42 -0.81 1.20 0.00 0.00 173.24 175.29 1ijx n PRO 50 N 4.46 0.03 -0.00 5.44 -0.04 -1.26 -2.15 135.00 141.47 1ijx n PRO 50 Ca -0.18 0.25 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 1ijx n PRO 50 Cb 0.57 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.47 0.89 -0.14 3.54 8.00 -1.26 -4.58 116.55 121.52 1ijx n ASP 51 Ca 0.04 -0.89 -0.03 0.00 0.71 0.00 0.00 54.79 54.61 1ijx n ASP 51 Cb 0.15 1.10 0.05 0.00 -0.02 0.00 0.00 41.12 42.40 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 0.00 0.02 -0.22 0.64 5.85 -1.79 -1.62 115.31 118.19 1ijx h LEU 52 Ca 0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1ijx h LEU 52 Cb 0.54 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1ijx h LEU 52 CO 0.00 0.04 0.13 0.25 -0.34 0.00 0.00 178.44 178.52 1ijx h LEU 53 N 0.24 0.27 -0.30 2.25 5.85 -1.81 -0.87 115.31 120.95 1ijx h LEU 53 Ca 0.23 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1ijx h LEU 53 Cb 0.29 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1ijx h LEU 53 CO -0.29 0.27 0.00 0.15 -0.34 0.00 0.00 178.44 178.23 1ijx h PHE 54 N 0.26 -0.01 0.33 1.25 3.57 -1.79 -0.77 116.94 119.79 1ijx h PHE 54 Ca 0.08 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1ijx h PHE 54 Cb 0.05 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1ijx h PHE 54 CO -0.04 -0.05 -0.31 0.35 -2.23 0.00 0.00 178.31 176.03 1ijx h PHE 55 N 0.09 -0.83 -0.48 0.41 3.57 -0.98 0.47 116.94 119.18 1ijx h PHE 55 Ca 0.14 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1ijx h PHE 55 Cb 0.19 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1ijx h PHE 55 CO -0.22 -0.45 0.28 -0.07 -2.23 0.00 0.00 178.31 175.62 1ijx h LEU 56 N -0.66 0.45 -0.96 0.59 3.38 -1.02 -2.28 115.31 114.80 1ijx h LEU 56 Ca -0.02 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1ijx h LEU 56 Cb 0.60 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1ijx h LEU 56 CO -0.05 0.32 0.01 0.00 0.09 0.00 0.00 178.44 178.82 1ijx h ALA 58 N 1.29 1.42 0.07 0.00 0.00 -0.45 0.13 119.26 121.72 1ijx h ALA 58 Ca 0.14 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1ijx h ALA 58 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ijx h ALA 58 CO 0.02 0.16 -1.14 0.52 0.00 0.00 0.00 179.25 178.81 1ijx h MET 59 N 0.00 0.14 0.00 0.00 2.07 -0.79 -3.25 114.93 113.11 1ijx h MET 59 Ca -0.00 -0.24 -0.20 0.00 -2.07 0.00 0.00 59.70 57.19 1ijx h MET 59 Cb 0.30 0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 30.09 1ijx h MET 59 CO 0.02 1.11 -1.02 1.88 1.07 0.00 0.00 176.91 179.97 1ijx h TYR 60 N -0.60 0.00 -1.65 -0.22 -1.99 -0.57 -1.46 116.97 110.48 1ijx h TYR 60 Ca -0.26 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 59.98 1ijx h TYR 60 Cb 1.52 0.00 -0.35 0.00 2.00 0.00 0.00 36.73 39.90 1ijx h TYR 60 CO 0.14 0.88 -1.02 0.00 -0.00 0.00 0.00 178.16 178.17 1ijx n ALA 61 N -2.35 1.69 -1.64 3.88 0.00 0.43 -4.77 120.51 117.75 1ijx n ALA 61 Ca -0.02 -3.05 -0.39 0.00 0.00 0.00 0.00 53.44 49.97 1ijx n ALA 61 Cb 0.91 -0.92 0.03 0.00 0.00 0.00 0.00 19.45 19.47 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 1.14 1.27 -1.86 0.00 -0.04 -1.22 -4.62 135.00 129.66 1ijx n PRO 62 Ca 0.20 0.47 -0.41 0.00 -0.04 0.00 0.00 63.50 63.71 1ijx n PRO 62 Cb 0.58 -2.21 -0.01 0.00 -0.04 0.00 0.00 33.50 31.81 1ijx n PRO 62 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ijx s ILE 63 N -1.38 2.24 0.09 0.52 2.07 -1.26 -3.52 121.20 119.96 1ijx s ILE 63 Ca 0.70 0.22 -0.30 0.00 -1.41 0.00 0.00 60.65 59.85 1ijx s ILE 63 Cb -0.47 -3.14 -0.06 0.00 0.13 0.00 0.00 42.46 38.93 1ijx s ILE 63 CO 0.52 0.04 1.13 0.00 -1.91 0.00 0.00 174.94 174.72 1ijx s THR 65 N 0.64 0.47 0.04 0.00 -4.23 -1.26 -4.97 115.64 106.32 1ijx s THR 65 Ca 0.55 -1.93 -0.15 0.00 -1.18 0.00 0.00 61.69 58.98 1ijx s THR 65 Cb -0.28 -1.91 -0.34 0.00 1.34 0.00 0.00 72.50 71.31 1ijx s THR 65 CO 0.31 -0.64 1.04 -0.29 -0.54 0.00 0.00 174.62 174.49 1ijx h ILE 66 N 2.87 1.29 -3.87 2.99 2.10 -2.03 -3.45 117.51 117.40 1ijx h ILE 66 Ca -0.36 -2.63 -0.45 0.00 1.08 0.00 0.00 64.86 62.50 1ijx h ILE 66 Cb 1.18 2.93 0.16 0.00 -1.09 0.00 0.00 36.82 40.01 1ijx h ILE 66 CO 0.63 0.79 0.19 -1.81 -1.08 0.00 0.00 178.15 176.87 1ijx s ASP 67 N -7.54 2.58 -0.87 2.19 1.01 -1.26 -4.25 116.67 108.53 1ijx s ASP 67 Ca -0.09 1.18 -0.05 0.00 0.71 0.00 0.00 52.55 54.30 1ijx s ASP 67 Cb 0.05 -1.85 -0.00 0.00 1.01 0.00 0.00 42.92 42.13 1ijx s ASP 67 CO 0.94 -3.16 0.67 0.49 0.21 0.00 0.00 175.17 174.33 1ijx n PHE 68 N -4.19 -2.30 0.16 4.23 3.72 -1.26 -4.90 117.46 112.92 1ijx n PHE 68 Ca 0.05 0.84 0.06 0.00 -0.05 0.00 0.00 57.45 58.35 1ijx n PHE 68 Cb 0.57 -3.32 0.07 0.00 -0.94 0.00 0.00 39.48 35.86 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 -0.42 0.00 0.00 -1.08 4.15 -1.88 -3.32 115.11 112.56 1ijx h GLN 69 Ca -0.44 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 58.77 1ijx h GLN 69 Cb 1.27 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.92 1ijx h GLN 69 CO 0.37 0.30 -2.04 0.72 -1.93 0.00 0.00 178.83 176.25 1ijx n HIS 70 N -3.14 0.24 -3.59 3.99 8.25 -1.26 -4.76 115.22 114.95 1ijx n HIS 70 Ca 0.02 0.08 -0.29 0.00 -0.26 0.00 0.00 57.72 57.27 1ijx n HIS 70 Cb 0.66 -0.87 -0.15 0.00 1.12 0.00 0.00 29.99 30.75 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 -2.91 0.28 1.20 -0.41 2.12 -1.26 -4.74 118.70 112.98 1ijx s GLU 71 Ca -0.08 -0.57 -0.13 0.00 0.36 0.00 0.00 54.97 54.55 1ijx s GLU 71 Cb 0.09 -1.40 0.30 0.00 0.26 0.00 0.00 34.13 33.39 1ijx s GLU 71 CO 0.85 -0.97 1.02 -1.25 -0.54 0.00 0.00 175.26 174.37 1ijx s PRO 72 N 2.01 -1.20 0.57 4.30 0.04 -1.25 -4.76 135.00 134.72 1ijx s PRO 72 Ca 0.08 0.82 -0.21 0.00 0.04 0.00 0.00 61.00 61.73 1ijx s PRO 72 Cb -0.16 -1.52 -0.04 0.00 0.04 0.00 0.00 34.50 32.81 1ijx s PRO 72 CO -0.31 -3.90 1.35 -1.50 0.04 0.00 0.00 177.00 172.67 1ijx s ILE 73 N -2.41 2.05 0.32 0.56 2.07 -1.26 -5.01 121.20 117.52 1ijx s ILE 73 Ca 0.69 0.04 0.08 0.00 -1.41 0.00 0.00 60.65 60.05 1ijx s ILE 73 Cb -0.26 -3.02 -0.04 0.00 0.13 0.00 0.00 42.46 39.27 1ijx s ILE 73 CO 0.66 -0.00 0.11 -0.54 -1.91 0.00 0.00 174.94 173.25 1ijx s LYS 74 N -3.00 2.36 0.54 3.50 1.02 -1.26 -4.66 119.74 118.23 1ijx s LYS 74 Ca 0.74 -1.52 -0.18 0.00 0.02 0.00 0.00 55.97 55.03 1ijx s LYS 74 Cb -0.40 -2.17 -0.06 0.00 -0.52 0.00 0.00 37.83 34.68 1ijx s LYS 74 CO 0.46 0.17 1.06 -1.25 -0.92 0.00 0.00 175.35 174.88 1ijx s PRO 75 N -3.80 3.52 0.56 -1.68 0.04 -1.26 -1.26 135.00 131.12 1ijx s PRO 75 Ca 0.36 1.36 -0.20 0.00 0.04 0.00 0.00 61.00 62.56 1ijx s PRO 75 Cb -0.03 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1ijx s PRO 75 CO 0.22 -0.66 1.21 0.00 0.04 0.00 0.00 177.00 177.81 1ijx h LYS 77 N 1.20 0.33 -0.73 0.00 3.64 -1.93 -2.40 116.57 116.69 1ijx h LYS 77 Ca -0.50 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.79 1ijx h LYS 77 Cb 1.29 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 1ijx h LYS 77 CO 0.56 0.22 0.21 0.66 -2.27 0.00 0.00 179.45 178.84 1ijx h SER 78 N 0.34 1.08 0.15 4.20 4.64 -1.95 -0.68 113.55 121.33 1ijx h SER 78 Ca 0.16 -0.22 -0.14 0.00 -0.47 0.00 0.00 61.79 61.13 1ijx h SER 78 Cb 0.21 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1ijx h SER 78 CO -0.04 1.01 -0.49 1.62 -0.87 0.00 0.00 176.83 178.07 1ijx h VAL 79 N 1.09 1.33 -0.64 0.95 3.04 -1.81 -2.17 116.25 118.04 1ijx h VAL 79 Ca 0.23 -1.71 -0.05 0.00 -1.01 0.00 0.00 66.70 64.16 1ijx h VAL 79 Cb 0.33 1.75 -0.03 0.00 -2.01 0.00 0.00 31.29 31.34 1ijx h VAL 79 CO -0.00 0.52 0.19 0.00 -1.01 0.00 0.00 177.57 177.27 1ijx h GLU 81 N 0.92 0.69 -0.26 0.00 5.08 -0.91 0.14 114.58 120.25 1ijx h GLU 81 Ca 0.20 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1ijx h GLU 81 Cb 0.31 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1ijx h GLU 81 CO -0.00 0.75 -0.17 0.00 -1.00 0.00 0.00 179.01 178.58 1ijx h ARG 82 N 0.64 0.58 -0.59 2.33 3.08 -1.16 0.10 114.38 119.36 1ijx h ARG 82 Ca 0.12 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1ijx h ARG 82 Cb 0.48 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1ijx h ARG 82 CO 0.03 0.85 0.28 0.00 -1.07 0.00 0.00 179.97 180.06 1ijx h ALA 83 N 0.71 0.76 -0.59 0.04 0.00 -1.06 -2.27 119.26 116.84 1ijx h ALA 83 Ca 0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1ijx h ALA 83 Cb 0.70 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ijx h ALA 83 CO 0.05 0.32 0.10 -0.09 0.00 0.00 0.00 179.25 179.63 1ijx h ARG 84 N 0.80 0.98 -0.98 0.00 2.43 -0.61 -1.08 114.38 115.91 1ijx h ARG 84 Ca 0.20 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1ijx h ARG 84 Cb 0.12 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 1ijx h ARG 84 CO -0.03 0.92 0.65 1.96 -1.51 0.00 0.00 179.97 181.96 1ijx h GLN 85 N 0.88 1.28 0.02 0.20 1.08 -0.49 0.07 115.11 118.14 1ijx h GLN 85 Ca 0.18 -0.08 -0.24 0.00 -1.45 0.00 0.00 58.65 57.07 1ijx h GLN 85 Cb 0.42 -0.29 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1ijx h GLN 85 CO 0.01 0.85 -1.20 0.78 -0.95 0.00 0.00 178.83 178.32 1ijx h GLY 86 N 1.32 0.04 0.00 3.46 0.00 -1.30 -3.41 103.07 103.17 1ijx h GLY 86 Ca 0.36 -0.10 -0.21 0.00 0.00 0.00 0.00 47.33 47.39 1ijx h GLY 86 CO -0.08 0.08 -2.08 0.00 0.00 0.00 0.00 176.54 174.46 1ijx h GLU 88 N 0.00 0.74 -0.78 0.00 4.81 -1.18 -2.53 114.58 115.64 1ijx h GLU 88 Ca -0.31 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.92 1ijx h GLU 88 Cb 1.65 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.81 1ijx h GLU 88 CO 0.02 0.49 0.49 -1.35 -0.73 0.00 0.00 179.01 177.93 1ijx h PRO 89 N 0.77 0.91 -0.22 0.92 0.11 -1.78 0.67 132.00 133.37 1ijx h PRO 89 Ca 0.32 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.24 1ijx h PRO 89 Cb 0.28 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1ijx h PRO 89 CO -0.11 0.60 -0.46 -0.84 -0.21 0.00 0.00 178.00 176.98 1ijx h ILE 90 N 0.94 1.31 -0.65 4.15 3.07 -1.72 0.54 117.51 125.14 1ijx h ILE 90 Ca 0.32 -1.65 -0.04 0.00 1.55 0.00 0.00 64.86 65.04 1ijx h ILE 90 Cb 0.06 1.63 -0.03 0.00 -0.27 0.00 0.00 36.82 38.21 1ijx h ILE 90 CO -0.13 0.52 0.24 -0.07 -1.05 0.00 0.00 178.15 177.66 1ijx h LEU 91 N 0.45 0.92 -0.70 0.16 3.38 -1.20 -2.52 115.31 115.81 1ijx h LEU 91 Ca 0.03 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1ijx h LEU 91 Cb 0.97 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1ijx h LEU 91 CO 0.09 0.85 -0.15 0.40 0.09 0.00 0.00 178.44 179.73 1ijx h ILE 92 N 0.93 1.26 -0.03 1.22 2.04 -0.62 0.30 117.51 122.62 1ijx h ILE 92 Ca 0.21 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.83 1ijx h ILE 92 Cb 0.24 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1ijx h ILE 92 CO -0.01 0.43 0.04 0.50 0.00 0.00 0.00 178.15 179.10 1ijx h LYS 93 N 0.75 0.00 -0.55 2.37 3.64 -0.47 -0.77 116.57 121.55 1ijx h LYS 93 Ca 0.12 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.13 1ijx h LYS 93 Cb 0.66 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.24 1ijx h LYS 93 CO 0.05 0.00 -0.28 0.66 -2.27 0.00 0.00 179.45 177.61 1ijx n TYR 94 N -3.63 1.87 -3.55 1.91 4.02 -0.90 -4.96 117.16 111.92 1ijx n TYR 94 Ca -0.02 -2.02 -0.26 0.00 -0.01 0.00 0.00 57.90 55.58 1ijx n TYR 94 Cb 0.12 -0.54 0.02 0.00 -0.02 0.00 0.00 39.34 38.92 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 -0.94 -4.88 -4.70 -0.72 1.74 -0.30 -5.00 116.66 101.86 1ijx n ARG 95 Ca 0.40 0.64 -0.31 0.00 -0.77 0.00 0.00 57.85 57.80 1ijx n ARG 95 Cb 0.92 -5.48 -0.08 0.00 -1.02 0.00 0.00 32.46 26.81 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 -3.16 1.81 0.22 -1.55 3.76 0.10 -4.98 115.29 111.49 1ijx s HIS 96 Ca 0.51 -1.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 1ijx s HIS 96 Cb -0.25 -1.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.92 1ijx s HIS 96 CO 0.63 0.07 0.15 -1.54 -0.85 0.00 0.00 174.74 173.20 1ijx s SER 97 N -3.82 0.45 -0.16 1.40 1.04 -1.26 -3.18 113.70 108.18 1ijx s SER 97 Ca 0.09 -1.44 -0.29 0.00 0.48 0.00 0.00 55.95 54.78 1ijx s SER 97 Cb 0.01 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 1ijx s SER 97 CO 0.05 -0.86 1.54 0.86 0.98 0.00 0.00 173.24 175.81 1ijx s TRP 98 N -4.03 2.25 0.40 5.02 -0.11 -1.26 -4.93 118.94 116.28 1ijx s TRP 98 Ca 0.39 0.55 -0.24 0.00 1.22 0.00 0.00 56.10 58.02 1ijx s TRP 98 Cb 0.06 -3.86 -0.12 0.00 -1.50 0.00 0.00 33.47 28.06 1ijx s TRP 98 CO 0.14 -2.89 0.87 -0.35 -4.62 0.00 0.00 176.95 170.10 1ijx n PRO 99 N 7.25 1.09 -0.05 5.86 -0.04 -1.26 -4.88 135.00 142.97 1ijx n PRO 99 Ca 0.17 0.39 0.04 0.00 -0.04 0.00 0.00 63.50 64.06 1ijx n PRO 99 Cb 0.44 -1.84 0.39 0.00 -0.04 0.00 0.00 33.50 32.45 1ijx n PRO 99 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ijx h GLU 100 N 1.36 0.62 0.00 0.54 4.81 -2.00 -0.87 114.58 119.04 1ijx h GLU 100 Ca -0.42 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1ijx h GLU 100 Cb 1.36 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1ijx h GLU 100 CO 0.56 0.41 0.00 0.66 -0.73 0.00 0.00 179.01 179.91 1ijx h SER 101 N 0.64 0.00 -0.40 1.04 4.64 -1.99 -2.25 113.55 115.23 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 -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1ijx h SER 101 CO -0.04 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.10 1ijx n LEU 102 N -2.76 3.58 -4.68 5.97 4.77 -0.34 -4.97 117.00 118.57 1ijx n LEU 102 Ca -0.01 -2.35 -0.48 0.00 -0.03 0.00 0.00 56.01 53.14 1ijx n LEU 102 Cb 0.15 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 1ijx n LEU 102 CO 0.20 0.75 1.45 0.00 -1.33 0.00 0.00 177.39 178.45 1ijx n ALA 103 N 0.42 0.96 -0.09 -1.18 0.00 -0.85 -4.86 120.51 114.91 1ijx n ALA 103 Ca 0.18 0.31 -0.02 0.00 0.00 0.00 0.00 53.44 53.90 1ijx n ALA 103 Cb 0.65 -2.48 0.21 0.00 0.00 0.00 0.00 19.45 17.83 1ijx n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ijx h ASP 105 N 0.72 0.00 0.04 0.00 3.32 -1.95 -2.11 116.42 116.43 1ijx h ASP 105 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1ijx h ASP 105 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1ijx h ASP 105 CO 0.00 0.00 -0.23 -0.62 -1.72 0.00 0.00 179.24 176.67 1ijx n GLU 106 N -2.39 1.45 -0.07 3.56 -0.58 -0.93 -4.39 120.64 117.31 1ijx n GLU 106 Ca -0.00 -1.08 -0.13 0.00 -0.42 0.00 0.00 57.16 55.53 1ijx n GLU 106 Cb 0.12 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.45 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 2.64 0.47 -9.72 -4.62 3.38 -1.45 -3.44 115.31 102.56 1ijx h LEU 107 Ca 0.00 -0.47 -0.56 0.00 0.09 0.00 0.00 57.88 56.94 1ijx h LEU 107 Cb 0.71 -0.13 0.09 0.00 0.09 0.00 0.00 40.66 41.42 1ijx h LEU 107 CO 0.00 0.84 0.66 -2.65 0.09 0.00 0.00 178.44 177.38 1ijx n PRO 108 N -4.49 2.29 -3.53 1.13 -0.02 -1.26 -4.93 135.00 124.19 1ijx n PRO 108 Ca -0.05 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 61.82 1ijx n PRO 108 Cb 0.38 -2.48 -0.08 0.00 -0.02 0.00 0.00 33.50 31.29 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 -0.49 4.35 -1.11 -1.45 1.01 -1.26 -4.98 120.40 116.47 1ijx s VAL 109 Ca 0.61 -1.67 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1ijx s VAL 109 Cb -0.57 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.02 1ijx s VAL 109 CO 0.55 -0.73 1.01 -1.22 0.00 0.00 0.00 175.10 174.71 1ijx n TYR 110 N 4.95 0.00 -0.60 5.22 0.53 -1.26 -1.00 117.16 125.01 1ijx n TYR 110 Ca -0.09 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 56.86 1ijx n TYR 110 Cb 0.41 -0.44 0.17 0.00 -1.03 0.00 0.00 39.34 38.45 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 -1.44 3.08 0.00 7.72 5.75 -1.26 -4.87 116.55 125.53 1ijx n ASP 111 Ca 0.01 -2.55 0.00 0.00 -0.01 0.00 0.00 54.79 52.23 1ijx n ASP 111 Cb 0.02 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1ijx n ASP 111 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1ijx n ARG 112 N -0.31 0.00 0.00 0.11 0.63 -0.17 -5.10 116.66 111.83 1ijx n ARG 112 Ca 0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1ijx n ARG 112 Cb 0.61 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.52 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 4.37 1.86 3.19 5.14 0.00 -1.23 -5.09 105.19 113.42 1ijx n GLY 113 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.22 1.61 0.11 -1.26 -5.16 120.40 113.91 1ijx s VAL 114 Ca 0.00 0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 59.05 1ijx s VAL 114 Cb 0.00 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1ijx s VAL 114 CO 0.00 0.01 0.21 0.00 -3.33 0.00 0.00 175.10 171.99 1ijx s ILE 116 N -4.06 3.21 0.15 0.00 -4.36 -0.39 -4.80 121.20 110.96 1ijx s ILE 116 Ca 0.36 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.51 1ijx s ILE 116 Cb 0.05 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.26 1ijx s ILE 116 CO 0.13 0.18 0.04 -0.44 0.24 0.00 0.00 174.94 175.09 1ijx s SER 117 N -1.97 0.71 0.65 4.36 0.01 -1.26 -1.32 113.70 114.88 1ijx s SER 117 Ca 0.19 -1.21 -0.10 0.00 1.31 0.00 0.00 55.95 56.15 1ijx s SER 117 Cb -0.11 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1ijx s SER 117 CO 0.11 -0.67 1.02 -2.16 0.41 0.00 0.00 173.24 171.95 1ijx s PRO 118 N -4.00 3.00 0.02 12.44 0.04 -1.26 -5.08 135.00 140.17 1ijx s PRO 118 Ca 0.25 0.36 -0.01 0.00 0.04 0.00 0.00 61.00 61.63 1ijx s PRO 118 Cb 0.07 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1ijx s PRO 118 CO 0.03 -0.84 0.00 -2.00 0.04 0.00 0.00 177.00 174.23 1ijx s GLU 119 N -5.21 0.36 0.45 4.56 2.56 -1.26 -5.14 118.70 115.02 1ijx s GLU 119 Ca 0.56 -0.60 -0.25 0.00 0.00 0.00 0.00 54.97 54.68 1ijx s GLU 119 Cb -0.11 0.13 -0.09 0.00 2.00 0.00 0.00 34.13 36.07 1ijx s GLU 119 CO 0.50 -0.07 1.36 0.00 -0.56 0.00 0.00 175.26 176.49 1ijx n ALA 120 N 1.50 1.70 -2.25 6.30 0.00 -1.26 -5.04 120.51 121.46 1ijx n ALA 120 Ca -0.23 0.24 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1ijx n ALA 120 Cb 0.55 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.56 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 -1.20 0.58 -0.18 0.00 -4.36 -1.26 -5.06 121.20 109.72 1ijx s ILE 121 Ca 0.62 -1.98 0.08 0.00 -0.26 0.00 0.00 60.65 59.11 1ijx s ILE 121 Cb -0.47 -2.23 -0.11 0.00 1.25 0.00 0.00 42.46 40.90 1ijx s ILE 121 CO 0.57 -0.36 0.26 1.33 0.24 0.00 0.00 174.94 176.98 1ijx n VAL 122 N -0.28 0.00 0.92 8.37 0.24 -1.26 -4.68 118.33 121.64 1ijx n VAL 122 Ca -0.05 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1ijx n VAL 122 Cb 0.64 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 1ijx n VAL 122 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1ijx n THR 123 N -1.52 0.00 -1.56 3.34 -2.24 -1.26 -4.88 114.28 106.16 1ijx n THR 123 Ca -0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 1ijx n THR 123 Cb 0.18 -0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 67.93 1ijx n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ijx n ALA 124 N 0.04 1.06 0.14 6.98 0.00 -1.26 -5.24 120.51 122.22 1ijx n ALA 124 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 53.44 52.78 1ijx n ALA 124 Cb 0.22 -3.05 0.07 0.00 0.00 0.00 0.00 19.45 16.68 1ijx n ALA 124 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03