#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 -5.16 0.19 0.67 0.00 -1.05 -0.43 -4.97 118.70 107.95 1ijx s GLU 4 Ca 0.57 0.25 -0.17 0.00 -0.15 0.00 0.00 54.97 55.48 1ijx s GLU 4 Cb -0.13 0.06 -0.01 0.00 -0.44 0.00 0.00 34.13 33.62 1ijx s GLU 4 CO 0.54 -0.04 1.05 -0.35 0.95 0.00 0.00 175.26 177.41 1ijx n PRO 5 N 3.14 0.74 -2.28 -4.83 -0.04 -1.26 -0.82 135.00 129.65 1ijx n PRO 5 Ca -0.14 0.31 -0.41 0.00 -0.04 0.00 0.00 63.50 63.22 1ijx n PRO 5 Cb 0.58 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 1ijx n PRO 5 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ijx s VAL 6 N -1.64 3.09 -0.01 0.52 1.01 0.94 -4.69 120.40 119.62 1ijx s VAL 6 Ca 0.77 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.84 1ijx s VAL 6 Cb -0.37 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1ijx s VAL 6 CO 0.47 0.25 0.02 0.54 0.00 0.00 0.00 175.10 176.37 1ijx n ARG 7 N 1.13 2.57 -1.56 2.72 1.74 -1.26 -4.97 116.66 117.04 1ijx n ARG 7 Ca 0.00 -0.01 -0.47 0.00 -0.77 0.00 0.00 57.85 56.60 1ijx n ARG 7 Cb 0.43 -1.05 -0.05 0.00 -1.02 0.00 0.00 32.46 30.77 1ijx n ARG 7 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ijx n ILE 8 N -1.92 0.34 -0.28 0.55 5.41 -1.26 -4.85 119.36 117.35 1ijx n ILE 8 Ca -0.02 -0.30 -0.04 0.00 1.00 0.00 0.00 62.75 63.39 1ijx n ILE 8 Cb 0.41 -2.04 0.02 0.00 -0.71 0.00 0.00 39.64 37.32 1ijx n ILE 8 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1ijx h PRO 9 N 12.62 -0.09 0.00 0.38 0.11 -1.98 0.15 132.00 143.20 1ijx h PRO 9 Ca -0.37 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1ijx h PRO 9 Cb 1.28 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ijx h PRO 9 CO 0.98 -0.06 0.00 -0.07 -0.21 0.00 0.00 178.00 178.64 1ijx h LEU 10 N -0.09 0.00 0.00 2.35 3.38 -2.01 -2.73 115.31 116.21 1ijx h LEU 10 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 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 -0.82 0.00 -1.13 0.00 0.09 0.00 0.00 178.44 176.58 1ijx h LYS 12 N 0.00 0.00 0.00 0.00 1.57 -1.17 -1.51 116.57 115.46 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 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 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 -3.27 0.00 -4.87 0.86 3.41 -1.26 -4.85 113.62 103.63 1ijx n SER 13 Ca -0.02 0.42 -0.31 0.00 -0.26 0.00 0.00 58.87 58.70 1ijx n SER 13 Cb 0.14 -0.47 0.01 0.00 -0.26 0.00 0.00 64.21 63.62 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 -2.95 3.30 0.24 1.04 1.43 -0.57 -5.01 118.68 116.16 1ijx s LEU 14 Ca 0.14 1.37 -0.07 0.00 -1.03 0.00 0.00 54.13 54.55 1ijx s LEU 14 Cb 0.17 -4.40 0.42 0.00 0.03 0.00 0.00 46.19 42.41 1ijx s LEU 14 CO 0.47 -0.82 1.67 -0.65 0.23 0.00 0.00 176.35 177.26 1ijx h PRO 15 N -0.19 0.20 -6.45 1.29 0.11 -1.89 -3.43 132.00 121.65 1ijx h PRO 15 Ca -0.44 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.12 1ijx h PRO 15 Cb 1.19 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1ijx h PRO 15 CO 0.62 0.14 -0.05 1.67 -0.21 0.00 0.00 178.00 180.16 1ijx s TRP 16 N -6.08 3.49 -0.02 0.65 -2.14 -1.26 -4.99 118.94 108.60 1ijx s TRP 16 Ca -0.13 1.03 0.11 0.00 2.66 0.00 0.00 56.10 59.77 1ijx s TRP 16 Cb 0.21 -2.37 -0.17 0.00 -3.10 0.00 0.00 33.47 28.04 1ijx s TRP 16 CO 0.75 0.30 0.24 0.39 -2.66 0.00 0.00 176.95 175.97 1ijx n GLU 17 N 0.22 0.41 -4.43 3.25 1.02 -1.26 -4.94 120.64 114.90 1ijx n GLU 17 Ca -0.01 -0.10 -0.34 0.00 -0.02 0.00 0.00 57.16 56.69 1ijx n GLU 17 Cb 0.52 -1.26 -0.11 0.00 -0.02 0.00 0.00 31.44 30.57 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 -2.75 3.20 0.24 3.49 -1.94 -1.26 -0.04 119.30 120.23 1ijx s MET 18 Ca -0.04 -0.48 0.02 0.00 -1.71 0.00 0.00 55.69 53.48 1ijx s MET 18 Cb 0.07 -2.80 -0.01 0.00 2.01 0.00 0.00 34.83 34.10 1ijx s MET 18 CO 0.46 0.52 0.07 -2.37 -0.01 0.00 0.00 175.02 173.69 1ijx n THR 19 N 2.69 0.00 -3.72 2.05 5.66 -0.00 -1.58 114.28 119.38 1ijx n THR 19 Ca -0.18 -1.31 -0.12 0.00 -3.05 0.00 0.00 64.05 59.39 1ijx n THR 19 Cb 0.53 0.43 -0.12 0.00 -1.55 0.00 0.00 70.33 69.62 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 -2.89 0.28 0.07 1.09 2.47 -1.20 -1.32 119.74 118.24 1ijx s LYS 20 Ca 0.09 0.61 0.02 0.00 -1.56 0.00 0.00 55.97 55.13 1ijx s LYS 20 Cb 0.00 -0.07 -0.04 0.00 -1.46 0.00 0.00 37.83 36.27 1ijx s LYS 20 CO 0.07 -0.15 0.12 -1.64 0.16 0.00 0.00 175.35 173.90 1ijx s MET 21 N 1.22 3.06 0.50 4.03 -1.94 -1.26 -4.15 119.30 120.76 1ijx s MET 21 Ca -0.09 -0.60 -0.20 0.00 -1.71 0.00 0.00 55.69 53.09 1ijx s MET 21 Cb -0.09 -2.83 -0.07 0.00 2.01 0.00 0.00 34.83 33.85 1ijx s MET 21 CO -0.09 0.59 1.09 -1.25 -0.01 0.00 0.00 175.02 175.34 1ijx s PRO 22 N -2.37 3.65 0.06 2.03 0.04 -1.26 -5.08 135.00 132.07 1ijx s PRO 22 Ca 0.30 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 1ijx s PRO 22 Cb -0.12 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1ijx s PRO 22 CO 0.23 -0.58 0.08 0.27 0.04 0.00 0.00 177.00 177.04 1ijx n ASN 23 N -0.98 0.04 0.00 6.66 0.23 -1.21 -4.74 115.26 115.26 1ijx n ASN 23 Ca 0.10 -1.05 0.11 0.00 -0.53 0.00 0.00 54.58 53.21 1ijx n ASN 23 Cb 0.51 -0.06 0.66 0.00 -2.08 0.00 0.00 39.78 38.81 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 -1.86 0.00 0.19 -2.53 8.25 -0.74 -1.49 115.22 117.04 1ijx n HIS 24 Ca 0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.54 1ijx n HIS 24 Cb 0.04 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.86 2.60 -1.67 2.41 7.99 -1.26 -4.97 117.00 121.23 1ijx n LEU 25 Ca 0.17 -1.48 -0.16 0.00 -0.01 0.00 0.00 56.01 54.53 1ijx n LEU 25 Cb 0.08 -0.13 -0.02 0.00 -0.11 0.00 0.00 43.42 43.23 1ijx n LEU 25 CO 0.12 0.58 -0.19 1.41 -1.51 0.00 0.00 177.39 177.80 1ijx n HIS 26 N 0.74 -0.57 -2.40 -1.77 8.25 -0.56 -4.98 115.22 113.93 1ijx n HIS 26 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 1ijx n HIS 26 Cb 0.40 -3.14 -0.03 0.00 1.12 0.00 0.00 29.99 28.33 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 -2.74 3.43 0.27 4.41 3.76 -1.26 -4.83 115.29 118.33 1ijx s HIS 27 Ca 0.00 1.31 0.10 0.00 -0.15 0.00 0.00 55.06 56.33 1ijx s HIS 27 Cb 0.00 -3.43 0.35 0.00 1.11 0.00 0.00 32.58 30.61 1ijx s HIS 27 CO 0.00 -1.31 1.61 0.77 -0.85 0.00 0.00 174.74 174.96 1ijx h SER 28 N 6.41 0.01 -4.55 1.40 0.02 -1.96 -3.21 113.55 111.67 1ijx h SER 28 Ca -0.42 -0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.18 1ijx h SER 28 Cb 1.21 -0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.55 1ijx h SER 28 CO 0.80 0.62 -0.75 0.42 -1.14 0.00 0.00 176.83 176.78 1ijx s THR 29 N -3.61 0.87 0.25 -2.27 -4.23 -1.26 -4.68 115.64 100.70 1ijx s THR 29 Ca -0.01 -1.32 0.26 0.00 -1.18 0.00 0.00 61.69 59.43 1ijx s THR 29 Cb 0.13 -1.00 0.26 0.00 1.34 0.00 0.00 72.50 73.23 1ijx s THR 29 CO 0.76 -0.37 1.93 -0.61 -0.54 0.00 0.00 174.62 175.79 1ijx h GLN 30 N 4.16 0.00 -0.49 3.99 4.15 -1.95 -1.86 115.11 123.11 1ijx h GLN 30 Ca -0.38 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.07 1ijx h GLN 30 Cb 1.19 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.85 1ijx h GLN 30 CO 0.44 0.18 0.27 0.00 -1.93 0.00 0.00 178.83 177.79 1ijx h ALA 31 N 1.82 0.62 -0.33 3.38 0.00 -1.99 0.22 119.26 122.99 1ijx h ALA 31 Ca -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ijx h ALA 31 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ijx h ALA 31 CO 0.02 -0.06 0.07 -0.97 0.00 0.00 0.00 179.25 178.32 1ijx h ASN 32 N 0.53 0.50 -0.87 0.00 -0.73 -1.78 -2.79 115.58 110.45 1ijx h ASN 32 Ca 0.21 -0.24 0.10 0.00 1.87 0.00 0.00 56.30 58.24 1ijx h ASN 32 Cb 0.07 -0.13 -0.08 0.00 0.27 0.00 0.00 38.32 38.45 1ijx h ASN 32 CO -0.12 0.61 0.51 0.00 -0.37 0.00 0.00 177.43 178.07 1ijx h ALA 33 N 0.91 1.27 -0.03 1.57 0.00 -0.75 -0.36 119.26 121.88 1ijx h ALA 33 Ca 0.10 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ijx h ALA 33 Cb 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ijx h ALA 33 CO 0.00 0.12 -0.08 0.82 0.00 0.00 0.00 179.25 180.12 1ijx h ILE 34 N 0.84 0.79 -0.07 0.00 2.04 -0.35 0.20 117.51 120.96 1ijx h ILE 34 Ca 0.43 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.31 1ijx h ILE 34 Cb 0.41 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1ijx h ILE 34 CO -0.26 0.00 -0.04 0.25 0.00 0.00 0.00 178.15 178.10 1ijx h LEU 35 N -0.13 -0.14 -0.57 1.44 5.85 -1.16 -2.17 115.31 118.43 1ijx h LEU 35 Ca 0.04 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1ijx h LEU 35 Cb 0.18 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1ijx h LEU 35 CO -0.10 -0.06 0.36 0.00 -0.34 0.00 0.00 178.44 178.29 1ijx h ALA 36 N 1.02 0.73 -0.52 1.25 0.00 -0.76 -2.82 119.26 118.16 1ijx h ALA 36 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ijx h ALA 36 Cb 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1ijx h ALA 36 CO -0.10 0.10 0.21 0.52 0.00 0.00 0.00 179.25 179.98 1ijx h MET 37 N 0.71 0.74 -1.28 0.00 2.86 -0.40 -2.84 114.93 114.73 1ijx h MET 37 Ca 0.22 -0.10 0.37 0.00 -2.06 0.00 0.00 59.70 58.13 1ijx h MET 37 Cb -0.01 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.46 1ijx h MET 37 CO -0.08 0.60 0.92 1.49 1.06 0.00 0.00 176.91 180.90 1ijx h GLU 38 N 0.73 0.00 -0.09 1.72 4.57 -1.12 0.48 114.58 120.88 1ijx h GLU 38 Ca 0.18 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.38 1ijx h GLU 38 Cb 0.14 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1ijx h GLU 38 CO -0.02 0.00 0.09 0.37 -1.18 0.00 0.00 179.01 178.27 1ijx h GLN 39 N 0.00 0.00 -0.01 1.92 4.15 -1.63 -2.60 115.11 116.94 1ijx h GLN 39 Ca 0.61 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.03 1ijx h GLN 39 Cb 2.44 0.00 0.00 0.00 0.21 0.00 0.00 27.48 30.13 1ijx h GLN 39 CO -0.01 0.00 -0.27 1.19 -1.93 0.00 0.00 178.83 177.81 1ijx n PHE 40 N -3.97 0.00 -0.06 3.99 3.01 0.17 -4.24 117.46 116.36 1ijx n PHE 40 Ca -0.01 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.63 1ijx n PHE 40 Cb 0.19 -0.06 0.60 0.00 -0.01 0.00 0.00 39.48 40.21 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 1.96 0.19 -0.15 -1.08 5.08 -1.57 0.78 114.58 119.79 1ijx h GLU 41 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1ijx h GLU 41 Cb 0.61 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1ijx h GLU 41 CO 0.00 0.12 -0.05 0.78 -1.00 0.00 0.00 179.01 178.87 1ijx h GLY 42 N 0.19 0.31 0.95 -3.84 0.00 -1.80 0.02 103.07 98.91 1ijx h GLY 42 Ca 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1ijx h GLY 42 CO -0.05 0.24 0.14 -2.00 0.00 0.00 0.00 176.54 174.87 1ijx h LEU 43 N -0.02 0.64 -0.93 3.11 5.85 -1.47 -1.92 115.31 120.57 1ijx h LEU 43 Ca 0.04 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.62 1ijx h LEU 43 Cb 0.48 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1ijx h LEU 43 CO 0.02 0.67 0.59 -0.07 -0.34 0.00 0.00 178.44 179.31 1ijx h LEU 44 N 0.57 0.94 -0.46 2.25 3.38 -0.87 -1.10 115.31 120.02 1ijx h LEU 44 Ca 0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ijx h LEU 44 Cb 0.26 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ijx h LEU 44 CO -0.01 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.74 1ijx n GLY 45 N -1.35 -0.81 0.03 0.83 0.00 -0.01 -1.48 105.19 102.40 1ijx n GLY 45 Ca 0.14 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1ijx n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ijx n THR 46 N -1.80 0.15 -3.75 2.61 -2.24 -0.42 -4.96 114.28 103.87 1ijx n THR 46 Ca 0.01 -0.16 -0.25 0.00 -2.27 0.00 0.00 64.05 61.38 1ijx n THR 46 Cb 0.08 0.20 0.04 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.82 -2.31 0.22 4.78 -0.00 -0.55 -4.86 115.22 110.68 1ijx n HIS 47 Ca 0.03 0.91 0.11 0.00 -0.00 0.00 0.00 57.72 58.78 1ijx n HIS 47 Cb 0.40 -4.41 0.34 0.00 -0.00 0.00 0.00 29.99 26.32 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 -6.12 -0.61 0.42 0.00 0.15 -1.26 -4.21 113.70 102.08 1ijx s SER 49 Ca 0.04 1.08 0.29 0.00 0.70 0.00 0.00 55.95 58.06 1ijx s SER 49 Cb 0.08 1.05 1.29 0.00 -1.71 0.00 0.00 66.02 66.73 1ijx s SER 49 CO 0.64 -0.21 1.88 1.55 1.20 0.00 0.00 173.24 178.30 1ijx h PRO 50 N 7.27 0.00 -0.00 5.44 0.13 -1.96 -2.38 132.00 140.50 1ijx h PRO 50 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1ijx h PRO 50 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ijx h PRO 50 CO 0.23 0.00 -0.51 -0.25 -0.23 0.00 0.00 178.00 177.24 1ijx n ASP 51 N -2.66 1.00 -0.04 1.44 8.00 -1.26 -4.50 116.55 118.53 1ijx n ASP 51 Ca 0.01 -0.79 -0.08 0.00 0.71 0.00 0.00 54.79 54.63 1ijx n ASP 51 Cb 0.23 0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 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 0.77 -0.09 -0.40 0.64 5.85 -1.79 -1.57 115.31 118.73 1ijx h LEU 52 Ca 0.00 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ijx h LEU 52 Cb 0.54 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1ijx h LEU 52 CO 0.00 -0.02 0.22 0.25 -0.34 0.00 0.00 178.44 178.55 1ijx h LEU 53 N 0.06 0.34 -0.67 2.25 5.85 -1.79 -0.59 115.31 120.76 1ijx h LEU 53 Ca 0.10 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1ijx h LEU 53 Cb 0.12 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1ijx h LEU 53 CO -0.16 0.24 0.43 0.15 -0.34 0.00 0.00 178.44 178.76 1ijx h PHE 54 N 0.44 0.82 -0.01 1.25 3.57 -1.79 -0.46 116.94 120.76 1ijx h PHE 54 Ca 0.16 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1ijx h PHE 54 Cb 0.04 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 1ijx h PHE 54 CO -0.09 0.49 0.01 0.35 -2.23 0.00 0.00 178.31 176.84 1ijx h PHE 55 N 0.87 0.02 -0.20 0.41 3.57 -0.76 0.02 116.94 120.87 1ijx h PHE 55 Ca 0.26 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 1ijx h PHE 55 Cb -0.05 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1ijx h PHE 55 CO -0.03 0.17 0.12 -0.07 -2.23 0.00 0.00 178.31 176.26 1ijx h LEU 56 N -0.13 0.24 -1.11 0.59 3.38 -0.94 -2.03 115.31 115.31 1ijx h LEU 56 Ca 0.00 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1ijx h LEU 56 Cb 0.15 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ijx h LEU 56 CO -0.00 0.23 -0.18 0.00 0.09 0.00 0.00 178.44 178.58 1ijx h ALA 58 N 1.43 1.12 0.00 0.00 0.00 -0.49 0.22 119.26 121.54 1ijx h ALA 58 Ca 0.07 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 1ijx h ALA 58 Cb 0.54 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1ijx h ALA 58 CO 0.04 0.07 -1.64 -1.33 0.00 0.00 0.00 179.25 176.38 1ijx n MET 59 N -3.32 0.57 0.09 0.00 2.00 -0.53 -3.81 117.12 112.12 1ijx n MET 59 Ca -0.01 0.47 -0.05 0.00 0.00 0.00 0.00 57.70 58.11 1ijx n MET 59 Cb 0.21 -1.66 0.12 0.00 0.00 0.00 0.00 33.22 31.89 1ijx n MET 59 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 1ijx h TYR 60 N -1.00 0.26 -2.01 2.03 -1.99 -0.53 -1.97 116.97 111.75 1ijx h TYR 60 Ca -0.44 -0.10 -0.55 0.00 2.00 0.00 0.00 58.73 59.64 1ijx h TYR 60 Cb 1.37 -0.04 -0.39 0.00 2.00 0.00 0.00 36.73 39.66 1ijx h TYR 60 CO 0.02 0.77 -1.10 0.00 -0.00 0.00 0.00 178.16 177.85 1ijx n ALA 61 N -2.46 2.45 -1.63 3.88 0.00 0.06 -4.73 120.51 118.09 1ijx n ALA 61 Ca -0.02 -3.48 -0.42 0.00 0.00 0.00 0.00 53.44 49.52 1ijx n ALA 61 Cb 0.64 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 1.16 1.54 -1.92 0.00 -0.04 -1.22 -4.61 135.00 129.90 1ijx n PRO 62 Ca 0.22 0.55 -0.41 0.00 -0.04 0.00 0.00 63.50 63.81 1ijx n PRO 62 Cb 0.55 -2.08 -0.02 0.00 -0.04 0.00 0.00 33.50 31.91 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 -1.19 2.46 0.05 0.52 2.07 -1.26 -3.24 121.20 120.62 1ijx s ILE 63 Ca 0.60 0.38 -0.30 0.00 -1.41 0.00 0.00 60.65 59.92 1ijx s ILE 63 Cb -0.59 -3.24 -0.05 0.00 0.13 0.00 0.00 42.46 38.72 1ijx s ILE 63 CO 0.59 0.06 1.02 0.00 -1.91 0.00 0.00 174.94 174.69 1ijx s THR 65 N 0.64 0.36 0.11 0.00 -4.23 -1.26 -4.94 115.64 106.31 1ijx s THR 65 Ca 0.51 -1.86 -0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1ijx s THR 65 Cb -0.24 -1.65 -0.23 0.00 1.34 0.00 0.00 72.50 71.73 1ijx s THR 65 CO 0.29 -0.89 1.23 0.40 -0.54 0.00 0.00 174.62 175.12 1ijx h ILE 66 N 3.05 1.48 -0.08 2.99 1.08 -2.03 -3.34 117.51 120.66 1ijx h ILE 66 Ca -0.35 -2.85 -0.09 0.00 -0.39 0.00 0.00 64.86 61.19 1ijx h ILE 66 Cb 1.16 2.72 -0.01 0.00 -3.07 0.00 0.00 36.82 37.62 1ijx h ILE 66 CO 0.65 0.83 -0.35 0.44 -0.69 0.00 0.00 178.15 179.03 1ijx h ASP 67 N 0.12 0.16 -2.15 1.72 3.32 -2.01 -3.36 116.42 114.21 1ijx h ASP 67 Ca -0.10 -0.06 -0.58 0.00 0.02 0.00 0.00 57.03 56.32 1ijx h ASP 67 Cb 1.78 -0.04 -0.41 0.00 0.22 0.00 0.00 39.33 40.87 1ijx h ASP 67 CO 0.18 0.51 -0.77 0.49 -1.72 0.00 0.00 179.24 177.92 1ijx n PHE 68 N -4.09 2.58 0.01 4.55 3.01 -1.25 -4.86 117.46 117.41 1ijx n PHE 68 Ca -0.01 -3.97 -0.14 0.00 1.01 0.00 0.00 57.45 54.34 1ijx n PHE 68 Cb 0.42 -0.49 -0.03 0.00 -0.01 0.00 0.00 39.48 39.38 1ijx n PHE 68 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1ijx h GLN 69 N 3.74 0.61 0.27 -1.08 1.08 -1.74 -2.65 115.11 115.34 1ijx h GLN 69 Ca 0.15 -0.51 -0.01 0.00 -1.45 0.00 0.00 58.65 56.82 1ijx h GLN 69 Cb 0.70 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1ijx h GLN 69 CO 0.72 1.13 -0.13 1.12 -0.95 0.00 0.00 178.83 180.73 1ijx h HIS 70 N 0.42 -0.33 -3.20 2.96 2.07 -1.94 -3.41 115.15 111.71 1ijx h HIS 70 Ca -0.05 -0.01 -0.56 0.00 -2.85 0.00 0.00 60.37 56.91 1ijx h HIS 70 Cb 1.38 0.11 -0.40 0.00 2.57 0.00 0.00 27.41 31.07 1ijx h HIS 70 CO 0.07 0.01 -0.76 -2.00 -3.07 0.00 0.00 177.93 172.17 1ijx s GLU 71 N -4.62 0.72 1.03 5.12 2.12 -1.25 -4.88 118.70 116.93 1ijx s GLU 71 Ca -0.14 -0.82 -0.15 0.00 0.36 0.00 0.00 54.97 54.22 1ijx s GLU 71 Cb 0.02 -2.01 0.08 0.00 0.26 0.00 0.00 34.13 32.48 1ijx s GLU 71 CO 0.55 -0.85 0.32 -2.30 -0.54 0.00 0.00 175.26 172.44 1ijx n PRO 72 N 4.93 -0.92 -2.05 4.30 -0.02 -1.00 -4.75 135.00 135.48 1ijx n PRO 72 Ca -0.05 -0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 60.83 1ijx n PRO 72 Cb 0.44 -1.84 0.02 0.00 -0.02 0.00 0.00 33.50 32.10 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 -2.35 2.69 0.38 4.25 2.07 -1.26 -5.02 121.20 121.96 1ijx s ILE 73 Ca 0.58 0.46 0.08 0.00 -1.41 0.00 0.00 60.65 60.36 1ijx s ILE 73 Cb -0.18 -3.21 -0.05 0.00 0.13 0.00 0.00 42.46 39.16 1ijx s ILE 73 CO 0.66 -0.06 0.16 -0.54 -1.91 0.00 0.00 174.94 173.26 1ijx s LYS 74 N -3.11 2.28 0.57 3.50 1.02 -1.26 -4.66 119.74 118.08 1ijx s LYS 74 Ca 0.73 -1.71 -0.17 0.00 0.02 0.00 0.00 55.97 54.83 1ijx s LYS 74 Cb -0.31 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 1ijx s LYS 74 CO 0.35 -0.02 1.07 -1.25 -0.92 0.00 0.00 175.35 174.58 1ijx s PRO 75 N -3.88 3.35 0.51 -1.68 0.04 -1.26 -1.31 135.00 130.77 1ijx s PRO 75 Ca 0.40 1.32 -0.22 0.00 0.04 0.00 0.00 61.00 62.54 1ijx s PRO 75 Cb 0.01 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1ijx s PRO 75 CO 0.23 -0.80 1.20 0.00 0.04 0.00 0.00 177.00 177.67 1ijx h LYS 77 N 1.66 0.85 -0.94 0.00 3.64 -1.93 -1.56 116.57 118.29 1ijx h LYS 77 Ca -0.50 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 58.90 1ijx h LYS 77 Cb 1.27 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.83 1ijx h LYS 77 CO 0.58 0.56 0.59 0.66 -2.27 0.00 0.00 179.45 179.58 1ijx h SER 78 N 0.88 0.93 -0.26 4.20 4.64 -1.94 0.98 113.55 122.98 1ijx h SER 78 Ca 0.49 0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.65 1ijx h SER 78 Cb 0.61 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1ijx h SER 78 CO -0.26 0.58 -0.53 0.58 -0.87 0.00 0.00 176.83 176.33 1ijx h VAL 79 N 1.06 1.29 -0.49 0.95 2.07 -1.67 -2.17 116.25 117.28 1ijx h VAL 79 Ca 0.41 -1.72 0.02 0.00 0.82 0.00 0.00 66.70 66.23 1ijx h VAL 79 Cb 0.21 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1ijx h VAL 79 CO -0.19 0.55 0.30 0.00 0.02 0.00 0.00 177.57 178.25 1ijx h GLU 81 N 0.59 0.62 -0.27 0.00 5.08 -0.70 -0.10 114.58 119.80 1ijx h GLU 81 Ca 0.20 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 1ijx h GLU 81 Cb 0.01 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1ijx h GLU 81 CO -0.08 0.50 -0.44 0.00 -1.00 0.00 0.00 179.01 177.99 1ijx h ARG 82 N 0.63 0.78 -0.24 2.33 3.08 -0.87 -0.84 114.38 119.24 1ijx h ARG 82 Ca 0.16 -0.47 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 1ijx h ARG 82 Cb 0.09 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1ijx h ARG 82 CO -0.02 1.10 0.10 0.00 -1.07 0.00 0.00 179.97 180.09 1ijx h ALA 83 N 0.67 0.32 -0.05 0.04 0.00 -0.96 -1.89 119.26 117.39 1ijx h ALA 83 Ca 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ijx h ALA 83 Cb 1.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ijx h ALA 83 CO 0.10 -0.10 0.03 -0.09 0.00 0.00 0.00 179.25 179.18 1ijx h ARG 84 N 0.25 0.07 -0.60 0.00 2.43 -1.01 0.43 114.38 115.95 1ijx h ARG 84 Ca 0.08 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.35 1ijx h ARG 84 Cb 0.16 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.61 1ijx h ARG 84 CO -0.01 0.14 0.14 0.37 -1.51 0.00 0.00 179.97 179.09 1ijx h GLN 85 N -0.02 0.26 0.00 0.20 4.15 -0.99 0.32 115.11 119.04 1ijx h GLN 85 Ca 0.02 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 1ijx h GLN 85 Cb 0.09 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1ijx h GLN 85 CO -0.00 0.17 -0.53 0.78 -1.93 0.00 0.00 178.83 177.32 1ijx h GLY 86 N 0.27 0.00 0.00 2.39 0.00 -1.19 -3.40 103.07 101.15 1ijx h GLY 86 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.45 1ijx h GLY 86 CO -0.39 0.00 -1.99 0.00 0.00 0.00 0.00 176.54 174.16 1ijx h GLU 88 N 0.00 1.07 -0.87 0.00 4.81 -0.57 -1.40 114.58 117.62 1ijx h GLU 88 Ca -0.28 -0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.00 1ijx h GLU 88 Cb 1.57 -0.24 -0.07 0.00 0.63 0.00 0.00 28.75 30.64 1ijx h GLU 88 CO 0.02 0.71 0.56 -1.35 -0.73 0.00 0.00 179.01 178.22 1ijx h PRO 89 N 1.11 0.72 -0.04 0.92 0.11 -1.78 -0.58 132.00 132.46 1ijx h PRO 89 Ca 0.43 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.37 1ijx h PRO 89 Cb 0.22 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.18 1ijx h PRO 89 CO -0.19 0.48 -0.47 0.82 -0.21 0.00 0.00 178.00 178.43 1ijx h ILE 90 N 0.75 1.42 -0.58 4.15 2.04 -1.54 -2.45 117.51 121.31 1ijx h ILE 90 Ca 0.42 -1.91 0.08 0.00 1.00 0.00 0.00 64.86 64.45 1ijx h ILE 90 Cb 0.59 2.44 -0.06 0.00 -0.74 0.00 0.00 36.82 39.05 1ijx h ILE 90 CO -0.19 0.56 0.24 -0.07 0.00 0.00 0.00 178.15 178.69 1ijx h LEU 91 N -0.09 0.27 -0.56 1.44 3.38 -0.54 -2.02 115.31 117.19 1ijx h LEU 91 Ca -0.05 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ijx h LEU 91 Cb 1.16 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1ijx h LEU 91 CO 0.10 0.17 0.34 0.40 0.09 0.00 0.00 178.44 179.54 1ijx h ILE 92 N 0.44 1.17 -0.92 1.22 2.04 -0.65 0.18 117.51 120.99 1ijx h ILE 92 Ca 0.28 -0.37 0.18 0.00 1.00 0.00 0.00 64.86 65.94 1ijx h ILE 92 Cb 0.30 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 36.71 1ijx h ILE 92 CO -0.26 0.17 0.59 0.50 0.00 0.00 0.00 178.15 179.15 1ijx h LYS 93 N 0.75 0.58 -1.01 2.37 3.64 -0.87 0.39 116.57 122.41 1ijx h LYS 93 Ca 0.20 -0.03 -0.44 0.00 -1.27 0.00 0.00 60.65 59.10 1ijx h LYS 93 Cb -0.02 -0.13 -0.26 0.00 -0.41 0.00 0.00 32.23 31.42 1ijx h LYS 93 CO -0.04 0.38 0.57 0.66 -2.27 0.00 0.00 179.45 178.75 1ijx n TYR 94 N -4.58 2.58 -3.42 1.91 4.02 -0.56 -4.90 117.16 112.20 1ijx n TYR 94 Ca 0.19 -1.72 -0.25 0.00 -0.01 0.00 0.00 57.90 56.12 1ijx n TYR 94 Cb 0.58 -0.87 0.03 0.00 -0.02 0.00 0.00 39.34 39.05 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 -0.84 -4.96 -4.48 -0.72 1.74 0.14 -4.99 116.66 102.54 1ijx n ARG 95 Ca 0.50 0.69 -0.24 0.00 -0.77 0.00 0.00 57.85 58.04 1ijx n ARG 95 Cb 1.41 -5.54 -0.09 0.00 -1.02 0.00 0.00 32.46 27.22 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 -3.15 1.82 0.15 -1.55 3.76 0.54 -4.97 115.29 111.89 1ijx s HIS 96 Ca 0.46 -1.18 -0.07 0.00 -0.15 0.00 0.00 55.06 54.12 1ijx s HIS 96 Cb -0.22 -1.18 -0.02 0.00 1.11 0.00 0.00 32.58 32.27 1ijx s HIS 96 CO 0.57 -0.21 0.22 -1.54 -0.85 0.00 0.00 174.74 172.92 1ijx s SER 97 N -3.55 0.12 0.15 1.40 1.04 -1.26 -2.22 113.70 109.38 1ijx s SER 97 Ca 0.28 -0.95 -0.33 0.00 0.48 0.00 0.00 55.95 55.44 1ijx s SER 97 Cb 0.05 0.39 -0.12 0.00 0.10 0.00 0.00 66.02 66.43 1ijx s SER 97 CO 0.15 -0.84 1.71 1.87 0.98 0.00 0.00 173.24 177.11 1ijx n TRP 98 N -0.17 2.54 -2.17 5.02 -0.00 -1.26 -4.92 117.44 116.48 1ijx n TRP 98 Ca -0.07 0.07 -0.39 0.00 -0.00 0.00 0.00 57.50 57.10 1ijx n TRP 98 Cb 0.63 -2.64 -0.01 0.00 -0.00 0.00 0.00 31.31 29.28 1ijx n TRP 98 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1ijx s PRO 99 N 1.64 4.04 0.38 5.87 0.04 -1.26 -4.94 135.00 140.77 1ijx s PRO 99 Ca 0.79 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.93 1ijx s PRO 99 Cb -0.57 -2.75 0.84 0.00 0.04 0.00 0.00 34.50 32.06 1ijx s PRO 99 CO 0.36 -0.38 1.94 1.49 0.04 0.00 0.00 177.00 180.46 1ijx h GLU 100 N 2.73 0.62 0.00 4.56 4.81 -2.00 -0.18 114.58 125.13 1ijx h GLU 100 Ca -0.49 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1ijx h GLU 100 Cb 1.24 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1ijx h GLU 100 CO 0.63 0.41 0.00 -1.13 -0.73 0.00 0.00 179.01 178.19 1ijx n SER 101 N -4.49 0.34 -0.59 1.04 3.41 -1.26 -1.88 113.62 110.18 1ijx n SER 101 Ca 0.12 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.39 1ijx n SER 101 Cb 0.33 -0.66 0.18 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.88 3.13 -4.68 1.04 4.77 -0.09 -4.93 117.00 114.35 1ijx n LEU 102 Ca 0.02 -2.56 -0.51 0.00 -0.03 0.00 0.00 56.01 52.94 1ijx n LEU 102 Cb 0.17 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1ijx n LEU 102 CO 0.15 0.68 1.34 0.00 -1.33 0.00 0.00 177.39 178.23 1ijx n ALA 103 N -0.28 0.50 0.18 -1.18 0.00 -0.79 -4.85 120.51 114.08 1ijx n ALA 103 Ca 0.15 0.36 0.02 0.00 0.00 0.00 0.00 53.44 53.97 1ijx n ALA 103 Cb 0.62 -2.36 0.34 0.00 0.00 0.00 0.00 19.45 18.05 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 -4.06 0.49 -0.73 0.00 9.92 -1.26 -2.57 116.55 118.34 1ijx n ASP 105 Ca -0.02 0.59 0.13 0.00 -0.53 0.00 0.00 54.79 54.96 1ijx n ASP 105 Cb 0.43 -0.71 0.27 0.00 -0.64 0.00 0.00 41.12 40.47 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 -2.01 1.97 -0.04 -1.24 -0.58 -1.02 -4.43 120.64 113.29 1ijx n GLU 106 Ca 0.04 -1.46 -0.14 0.00 -0.42 0.00 0.00 57.16 55.18 1ijx n GLU 106 Cb 0.27 -1.47 -0.09 0.00 -0.57 0.00 0.00 31.44 29.58 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 3.56 0.29 -9.84 -4.62 3.38 -1.57 -3.45 115.31 103.07 1ijx h LEU 107 Ca 0.00 -0.56 -0.53 0.00 0.09 0.00 0.00 57.88 56.88 1ijx h LEU 107 Cb 0.78 -0.08 0.07 0.00 0.09 0.00 0.00 40.66 41.52 1ijx h LEU 107 CO 0.00 0.80 0.73 -2.16 0.09 0.00 0.00 178.44 177.90 1ijx s PRO 108 N -3.97 4.25 -0.49 1.13 0.04 -1.26 -4.94 135.00 129.76 1ijx s PRO 108 Ca -0.15 2.35 -0.16 0.00 0.04 0.00 0.00 61.00 63.09 1ijx s PRO 108 Cb 0.04 -3.06 0.09 0.00 0.04 0.00 0.00 34.50 31.60 1ijx s PRO 108 CO 0.74 -0.38 0.43 0.08 0.04 0.00 0.00 177.00 177.90 1ijx s VAL 109 N -0.61 5.22 -1.04 -0.36 1.01 -1.26 -4.97 120.40 118.39 1ijx s VAL 109 Ca 0.55 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1ijx s VAL 109 Cb -0.43 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1ijx s VAL 109 CO 0.51 -0.66 0.89 -1.22 0.00 0.00 0.00 175.10 174.62 1ijx n TYR 110 N 5.23 0.00 -0.45 5.22 4.02 -1.26 -0.76 117.16 129.16 1ijx n TYR 110 Ca -0.13 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.81 1ijx n TYR 110 Cb 0.43 -0.39 0.11 0.00 -0.02 0.00 0.00 39.34 39.47 1ijx n TYR 110 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1ijx n ASP 111 N -1.39 2.62 0.00 7.72 5.75 -1.26 -4.87 116.55 125.12 1ijx n ASP 111 Ca 0.00 -2.41 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 1ijx n ASP 111 Cb 0.04 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 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 -0.46 0.00 0.00 0.11 0.63 0.06 -5.10 116.66 111.90 1ijx n ARG 112 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1ijx n ARG 112 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 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 4.11 1.83 3.23 5.14 0.00 -1.23 -5.09 105.19 113.19 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 0.23 1.61 0.11 -1.26 -5.16 120.40 113.94 1ijx s VAL 114 Ca 0.00 -0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 58.92 1ijx s VAL 114 Cb 0.00 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 1ijx s VAL 114 CO 0.00 -0.03 0.33 0.00 -3.33 0.00 0.00 175.10 172.07 1ijx s ILE 116 N -4.02 3.75 0.13 0.00 -4.36 -0.43 -4.78 121.20 111.48 1ijx s ILE 116 Ca 0.30 -0.84 0.03 0.00 -0.26 0.00 0.00 60.65 59.88 1ijx s ILE 116 Cb 0.03 -2.67 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 1ijx s ILE 116 CO 0.11 0.32 -0.07 -0.44 0.24 0.00 0.00 174.94 175.10 1ijx s SER 117 N -1.67 1.43 0.66 4.36 0.01 -1.26 -1.33 113.70 115.90 1ijx s SER 117 Ca 0.19 -1.04 -0.11 0.00 1.31 0.00 0.00 55.95 56.30 1ijx s SER 117 Cb -0.11 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 1ijx s SER 117 CO 0.10 -0.43 1.06 -2.16 0.41 0.00 0.00 173.24 172.22 1ijx s PRO 118 N -3.81 3.29 0.02 12.44 0.04 -1.26 -5.08 135.00 140.64 1ijx s PRO 118 Ca 0.16 0.65 0.01 0.00 0.04 0.00 0.00 61.00 61.86 1ijx s PRO 118 Cb 0.04 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1ijx s PRO 118 CO -0.01 -0.77 -0.04 -2.00 0.04 0.00 0.00 177.00 174.22 1ijx s GLU 119 N -5.24 0.32 0.42 4.56 2.56 -1.26 -5.13 118.70 114.93 1ijx s GLU 119 Ca 0.56 -0.43 -0.25 0.00 0.00 0.00 0.00 54.97 54.85 1ijx s GLU 119 Cb -0.11 -0.13 -0.10 0.00 2.00 0.00 0.00 34.13 35.79 1ijx s GLU 119 CO 0.53 0.02 1.23 0.00 -0.56 0.00 0.00 175.26 176.49 1ijx n ALA 120 N 2.17 1.12 -2.31 6.30 0.00 -1.26 -5.03 120.51 121.51 1ijx n ALA 120 Ca -0.19 0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 1ijx n ALA 120 Cb 0.57 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.68 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 1.30 -0.43 0.00 -4.36 -1.26 -5.11 121.20 110.14 1ijx s ILE 121 Ca 0.61 -2.09 -0.17 0.00 -0.26 0.00 0.00 60.65 58.74 1ijx s ILE 121 Cb -0.52 -2.09 0.03 0.00 1.25 0.00 0.00 42.46 41.13 1ijx s ILE 121 CO 0.58 -0.55 0.44 -0.69 0.24 0.00 0.00 174.94 174.95 1ijx s VAL 122 N -3.24 5.10 0.00 8.37 1.01 -1.26 -5.35 120.40 125.02 1ijx s VAL 122 Ca 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1ijx s VAL 122 Cb 0.03 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1ijx s VAL 122 CO 0.05 -0.45 0.15 0.41 0.00 0.00 0.00 175.10 175.26