#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjj h LEU 2 N 0.00 0.17 -1.28 1.20 4.07 -1.32 0.52 115.31 118.67 1bjj h LEU 2 Ca 0.00 0.07 -0.06 0.00 0.08 0.00 0.00 57.88 57.96 1bjj h LEU 2 Cb 0.00 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1bjj h LEU 2 CO 0.00 -0.06 -0.21 -0.07 -1.08 0.00 0.00 178.44 177.02 1bjj h LEU 3 N 0.10 0.22 0.10 1.67 4.07 -1.98 -0.82 115.31 118.66 1bjj h LEU 3 Ca 0.75 -0.06 -0.27 0.00 0.08 0.00 0.00 57.88 58.38 1bjj h LEU 3 Cb 2.59 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 44.26 1bjj h LEU 3 CO -0.22 0.44 -1.29 1.56 -1.08 0.00 0.00 178.44 177.85 1bjj h GLN 4 N 0.21 0.21 -0.64 1.13 4.20 -0.39 -2.78 115.11 117.04 1bjj h GLN 4 Ca 0.04 -0.36 0.02 0.00 0.06 0.00 0.00 58.65 58.41 1bjj h GLN 4 Cb 0.49 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 1bjj h GLN 4 CO 0.03 1.13 0.42 0.35 -0.67 0.00 0.00 178.83 180.09 1bjj h PHE 5 N 0.06 0.78 -0.79 2.96 3.57 -1.03 0.10 116.94 122.58 1bjj h PHE 5 Ca -0.14 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 1bjj h PHE 5 Cb 1.95 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 40.39 1bjj h PHE 5 CO 0.05 0.47 0.49 -0.91 -2.23 0.00 0.00 178.31 176.18 1bjj h ASN 6 N 0.83 0.94 -0.27 0.41 4.21 -1.14 0.07 115.58 120.63 1bjj h ASN 6 Ca 0.25 -0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.68 1bjj h ASN 6 Cb -0.05 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 36.90 1bjj h ASN 6 CO -0.07 0.72 0.07 0.50 -1.29 0.00 0.00 177.43 177.35 1bjj h LYS 7 N 1.09 0.43 -0.68 0.81 1.63 -1.04 -1.89 116.57 116.91 1bjj h LYS 7 Ca 0.29 -0.10 0.03 0.00 -0.85 0.00 0.00 60.65 60.01 1bjj h LYS 7 Cb -0.06 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.47 1bjj h LYS 7 CO -0.06 0.51 0.43 0.52 -3.45 0.00 0.00 179.45 177.40 1bjj h MET 8 N 0.27 0.82 -0.05 1.90 2.86 -0.22 -0.04 114.93 120.47 1bjj h MET 8 Ca 0.09 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1bjj h MET 8 Cb 0.27 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 1bjj h MET 8 CO -0.00 0.54 0.03 0.82 1.06 0.00 0.00 176.91 179.37 1bjj h ILE 9 N 0.85 1.04 -0.20 -1.22 2.04 -0.80 -0.40 117.51 118.81 1bjj h ILE 9 Ca 0.27 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 66.06 1bjj h ILE 9 Cb 0.01 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1bjj h ILE 9 CO -0.10 0.03 0.03 0.50 0.00 0.00 0.00 178.15 178.62 1bjj h LYS 10 N 0.04 0.11 -0.48 2.37 3.11 -0.98 0.19 116.57 120.93 1bjj h LYS 10 Ca 0.02 -0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.88 1bjj h LYS 10 Cb 0.03 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.19 1bjj h LYS 10 CO -0.00 0.07 0.26 1.49 -2.81 0.00 0.00 179.45 178.46 1bjj h GLU 12 N 0.11 0.50 0.07 1.90 4.57 -0.83 0.58 114.58 121.48 1bjj h GLU 12 Ca 0.09 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.07 1bjj h GLU 12 Cb 0.09 -0.11 0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1bjj h GLU 12 CO -0.13 0.33 -0.71 0.93 -1.18 0.00 0.00 179.01 178.25 1bjj h GLU 13 N 0.51 0.35 0.00 1.92 4.39 -0.85 -3.39 114.58 117.52 1bjj h GLU 13 Ca 0.20 -0.48 -0.11 0.00 0.34 0.00 0.00 59.36 59.31 1bjj h GLU 13 Cb 0.07 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1bjj h GLU 13 CO -0.12 1.18 -1.80 0.25 -1.16 0.00 0.00 179.01 177.35 1bjj n THR 14 N -4.17 0.63 0.00 1.13 -2.24 0.63 -4.76 114.28 105.50 1bjj n THR 14 Ca -0.12 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1bjj n THR 14 Cb 0.75 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1bjj n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bjj n GLY 15 N 1.38 2.08 3.93 3.38 0.00 0.20 -5.02 105.19 111.13 1bjj n GLY 15 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1bjj n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bjj s LYS 16 N -0.47 2.86 0.05 1.61 1.02 -1.26 -4.97 119.74 118.58 1bjj s LYS 16 Ca 0.00 -1.21 -0.12 0.00 0.02 0.00 0.00 55.97 54.65 1bjj s LYS 16 Cb 0.00 -2.63 -0.06 0.00 -0.52 0.00 0.00 37.83 34.62 1bjj s LYS 16 CO 0.00 -0.00 0.42 -0.80 -0.92 0.00 0.00 175.35 174.05 1bjj s ASN 17 N -4.12 6.73 0.17 2.83 -0.87 -1.26 -3.38 114.94 115.03 1bjj s ASN 17 Ca 0.45 0.89 -0.16 0.00 -1.57 0.00 0.00 52.86 52.47 1bjj s ASN 17 Cb -0.07 -2.22 0.12 0.00 -0.02 0.00 0.00 41.25 39.06 1bjj s ASN 17 CO 0.29 0.23 1.69 0.00 -2.57 0.00 0.00 177.10 176.74 1bjj h ALA 18 N 4.09 0.36 -2.78 0.60 0.00 -1.93 -3.15 119.26 116.45 1bjj h ALA 18 Ca -0.50 0.13 -0.61 0.00 0.00 0.00 0.00 54.91 53.94 1bjj h ALA 18 Cb 1.20 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 19.11 1bjj h ALA 18 CO 0.64 -0.41 -0.14 0.42 0.00 0.00 0.00 179.25 179.76 1bjj s ILE 19 N -6.19 5.16 -0.52 0.00 1.01 -1.26 -0.09 121.20 119.31 1bjj s ILE 19 Ca -0.14 0.77 0.22 0.00 0.00 0.00 0.00 60.65 61.50 1bjj s ILE 19 Cb 0.14 -3.76 -0.26 0.00 0.01 0.00 0.00 42.46 38.59 1bjj s ILE 19 CO 0.71 0.20 0.73 -0.81 0.00 0.00 0.00 174.94 175.78 1bjj n PRO 20 N 4.76 0.33 -0.66 2.79 -0.04 -1.25 -4.94 135.00 135.99 1bjj n PRO 20 Ca -0.07 -0.09 0.50 0.00 -0.04 0.00 0.00 63.50 63.81 1bjj n PRO 20 Cb 0.51 -1.52 0.79 0.00 -0.04 0.00 0.00 33.50 33.23 1bjj n PRO 20 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1bjj n PHE 21 N -1.90 0.16 -0.36 0.54 3.72 -1.03 -2.30 117.46 116.29 1bjj n PHE 21 Ca 0.00 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1bjj n PHE 21 Cb 0.45 -0.64 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 1bjj n PHE 21 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1bjj n TYR 22 N -4.09 0.00 0.19 1.38 4.01 0.88 -4.72 117.16 114.80 1bjj n TYR 22 Ca 0.43 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 58.21 1bjj n TYR 22 Cb 1.91 0.00 0.37 0.00 -0.31 0.00 0.00 39.34 41.30 1bjj n TYR 22 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bjj h ALA 23 N 0.00 1.31 -1.88 -0.72 0.00 -0.85 -3.34 119.26 113.79 1bjj h ALA 23 Ca 0.00 -0.34 -0.47 0.00 0.00 0.00 0.00 54.91 54.10 1bjj h ALA 23 Cb 0.18 -0.06 -0.38 0.00 0.00 0.00 0.00 17.79 17.52 1bjj h ALA 23 CO 0.00 0.47 -1.15 1.19 0.00 0.00 0.00 179.25 179.76 1bjj n PHE 24 N -3.99 -0.01 -4.63 0.00 3.01 -1.25 -3.51 117.46 107.10 1bjj n PHE 24 Ca -0.02 -3.72 -0.34 0.00 1.01 0.00 0.00 57.45 54.39 1bjj n PHE 24 Cb 0.42 -0.30 -0.12 0.00 -0.01 0.00 0.00 39.48 39.48 1bjj n PHE 24 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1bjj s TYR 25 N -2.26 2.92 0.00 1.38 6.14 -1.20 0.80 117.35 125.13 1bjj s TYR 25 Ca 0.39 -0.14 0.00 0.00 0.64 0.00 0.00 57.07 57.96 1bjj s TYR 25 Cb 0.35 -1.77 0.00 0.00 0.42 0.00 0.00 41.96 40.96 1bjj s TYR 25 CO -0.08 0.18 0.00 0.41 0.64 0.00 0.00 175.55 176.70 1bjj n GLY 26 N 2.66 1.74 0.03 8.97 0.00 -0.08 -1.95 105.19 116.55 1bjj n GLY 26 Ca -0.18 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.52 1bjj n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bjj n TYR 28 N -2.22 0.00 -2.99 0.00 4.02 -1.25 -3.18 117.16 111.53 1bjj n TYR 28 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.46 1bjj n TYR 28 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.80 1bjj n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bjj n GLY 30 N 3.67 1.01 0.71 0.00 0.00 -1.23 -3.23 105.19 106.13 1bjj n GLY 30 Ca 0.02 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 44.01 1bjj n GLY 30 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bjj n TRP 31 N 1.44 0.00 -1.47 1.61 7.02 -1.26 -4.43 117.44 120.35 1bjj n TRP 31 Ca 0.00 0.00 0.16 0.00 -1.02 0.00 0.00 57.50 56.64 1bjj n TRP 31 Cb 0.00 -0.11 -0.09 0.00 -2.42 0.00 0.00 31.31 28.70 1bjj n TRP 31 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1bjj n GLY 32 N 1.11 -3.38 3.52 6.99 0.00 -1.26 -5.06 105.19 107.11 1bjj n GLY 32 Ca 0.11 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 1bjj n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bjj s GLY 33 N -7.14 0.09 0.24 -0.02 0.00 -1.26 -4.78 107.32 94.46 1bjj s GLY 33 Ca 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 44.72 44.08 1bjj s GLY 33 CO 0.00 -0.40 0.66 -0.86 0.00 0.00 0.00 173.10 172.51 1bjj s GLN 34 N -3.91 1.62 1.81 2.90 -2.07 -1.19 -5.00 119.66 113.82 1bjj s GLN 34 Ca 0.13 -0.87 0.00 0.00 -1.82 0.00 0.00 55.36 52.80 1bjj s GLN 34 Cb -0.01 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.51 1bjj s GLN 34 CO -0.00 -0.73 0.00 0.41 -1.32 0.00 0.00 175.29 173.65 1bjj n GLY 35 N -0.43 -0.75 3.40 2.60 0.00 -1.25 -4.77 105.19 103.99 1bjj n GLY 35 Ca -0.08 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 1bjj n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bjj s LYS 36 N 0.00 2.25 0.19 1.61 1.02 -1.26 -2.24 119.74 121.32 1bjj s LYS 36 Ca 0.00 -0.85 -0.32 0.00 0.02 0.00 0.00 55.97 54.82 1bjj s LYS 36 Cb 0.00 -2.19 -0.15 0.00 -0.52 0.00 0.00 37.83 34.96 1bjj s LYS 36 CO 0.00 0.58 1.19 -2.30 -0.92 0.00 0.00 175.35 173.90 1bjj n PRO 37 N 2.24 1.32 -0.08 -1.68 -0.02 -1.26 -4.78 135.00 130.73 1bjj n PRO 37 Ca -0.17 0.47 -0.15 0.00 -2.02 0.00 0.00 63.50 61.64 1bjj n PRO 37 Cb 0.52 -1.98 -0.04 0.00 -0.02 0.00 0.00 33.50 31.97 1bjj n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1bjj h LYS 38 N 3.40 0.84 0.00 -0.52 6.56 -1.96 -3.47 116.57 121.42 1bjj h LYS 38 Ca -0.43 -0.52 -0.02 0.00 -1.06 0.00 0.00 60.65 58.62 1bjj h LYS 38 Cb 1.33 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 33.04 1bjj h LYS 38 CO 0.70 1.15 0.02 -0.40 -2.06 0.00 0.00 179.45 178.86 1bjj n ASP 39 N -4.07 -0.33 -0.16 0.86 5.75 -1.26 -5.01 116.55 112.33 1bjj n ASP 39 Ca -0.04 -1.29 -0.02 0.00 -0.01 0.00 0.00 54.79 53.43 1bjj n ASP 39 Cb 0.59 0.56 0.07 0.00 -1.03 0.00 0.00 41.12 41.31 1bjj n ASP 39 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1bjj h GLY 40 N 0.33 0.64 0.97 6.12 0.00 -1.93 0.09 103.07 109.29 1bjj h GLY 40 Ca -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1bjj h GLY 40 CO 0.07 -0.04 0.22 -0.84 0.00 0.00 0.00 176.54 175.95 1bjj h THR 41 N 0.29 1.17 -0.77 4.70 2.02 -1.90 -2.10 112.91 116.32 1bjj h THR 41 Ca 0.25 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1bjj h THR 41 Cb 0.31 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1bjj h THR 41 CO -0.29 0.18 0.44 -0.78 0.37 0.00 0.00 175.52 175.44 1bjj h ASP 42 N 0.55 0.93 0.37 4.18 3.58 -1.79 -1.60 116.42 122.65 1bjj h ASP 42 Ca 0.15 -0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.46 1bjj h ASP 42 Cb 0.08 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1bjj h ASP 42 CO -0.02 0.74 -0.34 -0.09 -2.88 0.00 0.00 179.24 176.64 1bjj h ARG 43 N 1.06 0.00 -0.44 0.28 2.43 -0.59 -0.37 114.38 116.76 1bjj h ARG 43 Ca 0.27 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.48 1bjj h ARG 43 Cb -0.01 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1bjj h ARG 43 CO -0.05 0.34 0.23 0.00 -1.51 0.00 0.00 179.97 178.98 1bjj h PHE 46 N 0.45 -0.60 -0.88 0.00 3.57 -0.18 -2.13 116.94 117.17 1bjj h PHE 46 Ca 0.12 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1bjj h PHE 46 Cb 0.14 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 1bjj h PHE 46 CO -0.01 -0.31 0.56 0.28 -2.23 0.00 0.00 178.31 176.60 1bjj h VAL 47 N -0.32 1.12 -0.78 1.41 2.07 -0.61 -1.78 116.25 117.37 1bjj h VAL 47 Ca 0.08 -0.37 0.10 0.00 0.82 0.00 0.00 66.70 67.33 1bjj h VAL 47 Cb 0.44 -0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.08 1bjj h VAL 47 CO -0.25 0.20 0.42 -0.74 0.02 0.00 0.00 177.57 177.21 1bjj h HIS 48 N 1.08 0.75 -0.25 1.57 -0.00 -0.77 0.21 115.15 117.73 1bjj h HIS 48 Ca 0.36 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.77 1bjj h HIS 48 Cb 0.04 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.21 1bjj h HIS 48 CO -0.02 0.27 0.14 -0.44 -0.00 0.00 0.00 177.93 177.89 1bjj h ASP 49 N 0.68 0.24 -0.82 3.26 3.32 -0.71 0.41 116.42 122.81 1bjj h ASP 49 Ca 0.39 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.42 1bjj h ASP 49 Cb 0.41 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 1bjj h ASP 49 CO -0.27 0.17 0.43 0.00 -1.72 0.00 0.00 179.24 177.85 1bjj h TYR 52 N -0.64 0.91 -1.17 0.00 -1.99 -0.76 -2.14 116.97 111.18 1bjj h TYR 52 Ca -0.03 0.01 0.33 0.00 2.00 0.00 0.00 58.73 61.04 1bjj h TYR 52 Cb 0.54 -0.30 -0.06 0.00 2.00 0.00 0.00 36.73 38.91 1bjj h TYR 52 CO -0.13 0.59 0.82 0.78 -0.00 0.00 0.00 178.16 180.23 1bjj h GLY 53 N 0.96 0.37 2.00 3.88 0.00 -0.02 0.51 103.07 110.76 1bjj h GLY 53 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1bjj h GLY 53 CO -0.05 -0.05 0.00 0.54 0.00 0.00 0.00 176.54 176.97 1bjj n ARG 54 N -4.31 0.14 -2.29 4.80 1.74 -0.81 -3.70 116.66 112.22 1bjj n ARG 54 Ca 0.26 0.17 -0.39 0.00 -0.77 0.00 0.00 57.85 57.12 1bjj n ARG 54 Cb 1.18 -1.68 0.03 0.00 -1.02 0.00 0.00 32.46 30.97 1bjj n ARG 54 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1bjj n LEU 55 N -1.92 7.17 -0.38 0.55 4.77 0.18 -4.85 117.00 122.53 1bjj n LEU 55 Ca 0.05 -5.12 0.35 0.00 -0.03 0.00 0.00 56.01 51.26 1bjj n LEU 55 Cb 0.35 -1.05 0.71 0.00 -2.33 0.00 0.00 43.42 41.10 1bjj n LEU 55 CO 0.26 1.93 1.32 1.62 -1.33 0.00 0.00 177.39 181.19 1bjj h VAL 56 N 2.16 0.36 -0.28 4.08 3.04 -1.72 -1.79 116.25 122.10 1bjj h VAL 56 Ca 0.52 -0.03 -0.04 0.00 -1.01 0.00 0.00 66.70 66.15 1bjj h VAL 56 Cb 0.22 0.27 -0.02 0.00 -2.01 0.00 0.00 31.29 29.75 1bjj h VAL 56 CO 1.27 0.01 -0.00 -0.46 -1.01 0.00 0.00 177.57 177.38 1bjj n ASN 59 N -4.27 3.62 -4.69 3.17 6.94 -1.26 -4.99 115.26 113.78 1bjj n ASN 59 Ca 0.29 -3.15 -0.28 0.00 -0.02 0.00 0.00 54.58 51.41 1bjj n ASN 59 Cb 1.29 -0.56 -0.08 0.00 -2.36 0.00 0.00 39.78 38.07 1bjj n ASN 59 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1bjj n ASN 67 N 0.19 5.35 -0.42 0.00 2.85 -1.26 -4.80 115.26 117.17 1bjj n ASN 67 Ca -0.10 -3.16 0.35 0.00 -0.11 0.00 0.00 54.58 51.56 1bjj n ASN 67 Cb 0.53 -1.44 0.66 0.00 1.24 0.00 0.00 39.78 40.77 1bjj n ASN 67 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1bjj h THR 68 N 3.66 0.28 0.11 -0.44 1.35 -1.94 -0.45 112.91 115.48 1bjj h THR 68 Ca 0.37 -0.05 -0.15 0.00 -0.55 0.00 0.00 66.41 66.04 1bjj h THR 68 Cb 0.62 0.13 0.02 0.00 -1.73 0.00 0.00 68.15 67.19 1bjj h THR 68 CO 1.59 0.02 -0.68 0.11 -0.25 0.00 0.00 175.52 176.31 1bjj h LYS 69 N 0.13 0.23 0.00 4.72 1.57 -1.98 -3.36 116.57 117.88 1bjj h LYS 69 Ca 0.72 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1bjj h LYS 69 Cb 2.39 0.15 0.00 0.00 0.08 0.00 0.00 32.23 34.84 1bjj h LYS 69 CO -0.23 1.19 -1.79 -1.13 -0.57 0.00 0.00 179.45 176.92 1bjj n SER 70 N -4.22 0.73 -4.67 0.86 3.41 -1.02 -0.99 113.62 107.72 1bjj n SER 70 Ca -0.14 -0.06 -0.50 0.00 -0.26 0.00 0.00 58.87 57.91 1bjj n SER 70 Cb 0.76 1.80 -0.05 0.00 -0.26 0.00 0.00 64.21 66.45 1bjj n SER 70 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1bjj n ASP 71 N -2.10 3.17 -4.62 4.04 -0.08 -0.21 -4.56 116.55 112.18 1bjj n ASP 71 Ca -0.03 0.94 -0.42 0.00 -1.51 0.00 0.00 54.79 53.77 1bjj n ASP 71 Cb 0.47 -1.32 -0.04 0.00 2.34 0.00 0.00 41.12 42.57 1bjj n ASP 71 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1bjj s ILE 72 N 4.30 4.69 0.49 5.18 1.01 -1.26 -0.62 121.20 134.99 1bjj s ILE 72 Ca 0.95 1.43 0.06 0.00 0.00 0.00 0.00 60.65 63.09 1bjj s ILE 72 Cb -0.77 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 37.46 1bjj s ILE 72 CO 0.54 -0.33 0.35 -0.72 0.00 0.00 0.00 174.94 174.78 1bjj s TYR 73 N 3.22 2.05 -0.12 3.97 -0.85 -1.26 -4.97 117.35 119.38 1bjj s TYR 73 Ca 0.38 -0.72 -0.02 0.00 -0.52 0.00 0.00 57.07 56.19 1bjj s TYR 73 Cb -0.13 -1.97 -0.03 0.00 0.38 0.00 0.00 41.96 40.21 1bjj s TYR 73 CO 0.13 -0.26 -0.05 0.45 -1.52 0.00 0.00 175.55 174.31 1bjj s SER 74 N -4.17 4.77 0.18 -0.18 0.15 -1.26 -5.00 113.70 108.19 1bjj s SER 74 Ca 0.38 -0.08 -0.17 0.00 0.70 0.00 0.00 55.95 56.78 1bjj s SER 74 Cb -0.01 -1.56 0.03 0.00 -1.71 0.00 0.00 66.02 62.76 1bjj s SER 74 CO 0.22 0.25 0.48 -0.72 1.20 0.00 0.00 173.24 174.68 1bjj s TYR 75 N -0.12 -0.09 0.14 3.44 1.13 -1.26 0.74 117.35 121.33 1bjj s TYR 75 Ca 0.02 -0.25 -0.20 0.00 -1.41 0.00 0.00 57.07 55.23 1bjj s TYR 75 Cb -0.13 0.33 0.06 0.00 -1.10 0.00 0.00 41.96 41.12 1bjj s TYR 75 CO 0.03 -0.87 0.52 -1.54 -2.51 0.00 0.00 175.55 171.19 1bjj s SER 76 N -2.87 -0.44 -1.21 -0.18 1.04 0.26 -4.85 113.70 105.45 1bjj s SER 76 Ca 0.09 -0.10 -0.10 0.00 0.48 0.00 0.00 55.95 56.31 1bjj s SER 76 Cb -0.00 0.55 0.20 0.00 0.10 0.00 0.00 66.02 66.87 1bjj s SER 76 CO -0.04 -0.92 1.57 0.18 0.98 0.00 0.00 173.24 175.01 1bjj n LEU 77 N -0.29 5.97 -4.55 2.42 7.99 -1.26 0.09 117.00 127.37 1bjj n LEU 77 Ca -0.17 -4.72 -0.40 0.00 -0.01 0.00 0.00 56.01 50.72 1bjj n LEU 77 Cb 0.64 -1.50 -0.03 0.00 -0.11 0.00 0.00 43.42 42.42 1bjj n LEU 77 CO 0.14 1.19 1.33 -0.75 -1.51 0.00 0.00 177.39 177.79 1bjj s LYS 78 N 0.11 3.04 -0.59 3.23 2.20 -0.61 -3.64 119.74 123.47 1bjj s LYS 78 Ca 0.38 -0.08 -0.01 0.00 -0.36 0.00 0.00 55.97 55.90 1bjj s LYS 78 Cb 0.02 -4.38 -0.02 0.00 -1.51 0.00 0.00 37.83 31.94 1bjj s LYS 78 CO 0.01 -2.37 0.50 -1.91 -0.36 0.00 0.00 175.35 171.22 1bjj n GLU 79 N 9.26 -2.50 -2.08 4.03 0.00 -1.26 -2.93 120.64 125.16 1bjj n GLU 79 Ca 0.12 0.45 -0.13 0.00 0.00 0.00 0.00 57.16 57.60 1bjj n GLU 79 Cb 0.50 -4.04 -0.02 0.00 0.00 0.00 0.00 31.44 27.87 1bjj n GLU 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1bjj n GLY 80 N -1.19 0.08 2.98 8.31 0.00 -1.24 -4.93 105.19 109.20 1bjj n GLY 80 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1bjj n GLY 80 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bjj s TYR 81 N -2.46 1.73 -0.37 1.61 2.02 -1.15 -5.08 117.35 113.65 1bjj s TYR 81 Ca 0.00 -0.86 -0.28 0.00 -0.37 0.00 0.00 57.07 55.57 1bjj s TYR 81 Cb 0.00 -1.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 1bjj s TYR 81 CO 0.00 -0.51 2.00 0.42 -1.57 0.00 0.00 175.55 175.90 1bjj s ILE 82 N 1.36 3.27 -0.08 2.71 1.01 -1.26 -1.58 121.20 126.63 1bjj s ILE 82 Ca -0.00 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1bjj s ILE 82 Cb -0.14 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1bjj s ILE 82 CO -0.06 -0.33 -0.07 -0.89 0.00 0.00 0.00 174.94 173.59 1bjj s THR 83 N 8.38 3.72 -0.02 2.92 2.01 0.11 -4.97 115.64 127.79 1bjj s THR 83 Ca 0.86 -0.47 -0.20 0.00 0.31 0.00 0.00 61.69 62.18 1bjj s THR 83 Cb -0.23 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 1bjj s THR 83 CO 0.31 0.59 0.58 0.00 -0.69 0.00 0.00 174.62 175.41 1bjj s GLY 85 N -0.04 1.68 0.18 0.00 0.00 0.23 -4.92 107.32 104.45 1bjj s GLY 85 Ca 0.31 -0.97 -0.20 0.00 0.00 0.00 0.00 44.72 43.86 1bjj s GLY 85 CO 0.16 -0.45 0.68 1.25 0.00 0.00 0.00 173.10 174.75 1bjj s LYS 86 N -5.47 4.25 0.00 2.90 2.20 -1.26 -4.73 119.74 117.63 1bjj s LYS 86 Ca 0.64 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 1bjj s LYS 86 Cb -0.09 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1bjj s LYS 86 CO 0.48 0.47 0.00 0.41 -0.36 0.00 0.00 175.35 176.35 1bjj n GLY 88 N 1.02 1.14 3.95 5.54 0.00 -1.26 -4.84 105.19 110.75 1bjj n GLY 88 Ca -0.05 0.34 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 1bjj n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bjj s THR 89 N 2.12 4.89 0.35 2.61 -4.23 -1.26 -4.92 115.64 115.21 1bjj s THR 89 Ca 0.00 -0.61 0.06 0.00 -1.18 0.00 0.00 61.69 59.96 1bjj s THR 89 Cb 0.00 -3.77 0.30 0.00 1.34 0.00 0.00 72.50 70.37 1bjj s THR 89 CO 0.00 -0.45 1.92 -1.13 -0.54 0.00 0.00 174.62 174.42 1bjj h ASN 90 N 0.79 0.72 -0.15 3.99 -0.73 -2.01 -0.10 115.58 118.08 1bjj h ASN 90 Ca -0.49 0.02 -0.05 0.00 1.87 0.00 0.00 56.30 57.64 1bjj h ASN 90 Cb 1.23 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 39.68 1bjj h ASN 90 CO 0.60 0.43 -0.12 0.00 -0.37 0.00 0.00 177.43 177.97 1bjj h GLU 92 N -0.02 0.15 -0.51 0.00 5.08 -1.74 0.18 114.58 117.71 1bjj h GLU 92 Ca 0.03 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1bjj h GLU 92 Cb 0.63 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1bjj h GLU 92 CO 0.03 0.10 0.09 0.93 -1.00 0.00 0.00 179.01 179.17 1bjj h GLU 93 N 0.16 0.85 0.02 2.33 5.08 -1.02 -1.59 114.58 120.41 1bjj h GLU 93 Ca 0.17 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1bjj h GLU 93 Cb 0.22 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1bjj h GLU 93 CO -0.25 0.83 -0.01 0.37 -1.00 0.00 0.00 179.01 178.95 1bjj h GLN 94 N 0.73 -0.03 -0.62 2.33 5.75 -0.70 -2.16 115.11 120.41 1bjj h GLN 94 Ca 0.16 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.69 1bjj h GLN 94 Cb 0.39 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.90 1bjj h GLN 94 CO 0.01 0.25 0.37 0.82 -2.65 0.00 0.00 178.83 177.63 1bjj h ILE 95 N -0.31 1.05 -0.84 2.39 2.04 -0.67 -1.73 117.51 119.43 1bjj h ILE 95 Ca -0.00 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.66 1bjj h ILE 95 Cb 0.30 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 1bjj h ILE 95 CO 0.01 0.13 0.53 0.00 0.00 0.00 0.00 178.15 178.82 1bjj h GLU 97 N 0.99 0.34 -0.63 0.00 4.39 -0.66 0.13 114.58 119.14 1bjj h GLU 97 Ca 0.36 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 60.08 1bjj h GLU 97 Cb 0.11 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 1bjj h GLU 97 CO -0.15 0.30 0.34 0.00 -1.16 0.00 0.00 179.01 178.33 1bjj h ASP 99 N 0.63 -0.49 0.07 0.00 5.19 -0.89 -2.62 116.42 118.31 1bjj h ASP 99 Ca 0.29 -0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.64 1bjj h ASP 99 Cb 0.19 0.13 -0.05 0.00 0.18 0.00 0.00 39.33 39.77 1bjj h ASP 99 CO -0.18 -0.21 -0.44 -0.09 -3.12 0.00 0.00 179.24 175.20 1bjj h ARG 100 N -0.77 -0.61 -0.88 3.56 2.43 -0.57 -1.16 114.38 116.37 1bjj h ARG 100 Ca -0.06 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.28 1bjj h ARG 100 Cb 0.53 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.15 1bjj h ARG 100 CO 0.10 -0.41 0.57 0.28 -1.51 0.00 0.00 179.97 179.00 1bjj h VAL 101 N -0.64 0.87 -0.10 0.20 2.07 -1.38 -1.98 116.25 115.29 1bjj h VAL 101 Ca 0.03 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1bjj h VAL 101 Cb 0.68 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1bjj h VAL 101 CO -0.29 0.13 -0.04 0.00 0.02 0.00 0.00 177.57 177.40 1bjj h ALA 102 N 1.59 0.14 -0.41 1.67 0.00 -1.02 -0.93 119.26 120.31 1bjj h ALA 102 Ca 0.43 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1bjj h ALA 102 Cb 0.64 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1bjj h ALA 102 CO -0.20 -0.10 0.09 0.00 0.00 0.00 0.00 179.25 179.04 1bjj h ALA 103 N 0.66 0.45 -0.17 0.00 0.00 -0.69 -1.24 119.26 118.27 1bjj h ALA 103 Ca 0.02 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1bjj h ALA 103 Cb 0.47 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1bjj h ALA 103 CO 0.01 -0.31 -0.34 0.93 0.00 0.00 0.00 179.25 179.54 1bjj h GLU 104 N 0.22 0.34 -0.48 0.00 5.08 -1.38 -2.77 114.58 115.59 1bjj h GLU 104 Ca 0.20 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1bjj h GLU 104 Cb 0.23 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1bjj h GLU 104 CO -0.25 0.64 0.22 0.00 -1.00 0.00 0.00 179.01 178.62 1bjj h PHE 106 N 0.68 0.99 0.37 0.00 0.04 -1.00 -2.50 116.94 115.51 1bjj h PHE 106 Ca 0.17 -0.23 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 1bjj h PHE 106 Cb 0.09 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.01 1bjj h PHE 106 CO 0.01 1.00 -0.18 -0.09 -0.60 0.00 0.00 178.31 178.45 1bjj h ARG 107 N 0.69 -0.48 -0.01 1.51 2.43 -1.12 -2.15 114.38 115.25 1bjj h ARG 107 Ca 0.10 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1bjj h ARG 107 Cb 0.72 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1bjj h ARG 107 CO 0.05 -0.32 0.01 0.00 -1.51 0.00 0.00 179.97 178.20 1bjj h ARG 108 N -0.49 0.00 -0.55 0.20 3.08 -1.11 -2.22 114.38 113.28 1bjj h ARG 108 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1bjj h ARG 108 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1bjj h ARG 108 CO 0.08 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.07 1bjj n ASN 109 N -3.92 3.51 -0.18 7.04 3.02 -0.95 -4.42 115.26 119.37 1bjj n ASN 109 Ca -0.03 -1.98 0.18 0.00 -0.03 0.00 0.00 54.58 52.72 1bjj n ASN 109 Cb 0.09 -0.37 0.53 0.00 -0.61 0.00 0.00 39.78 39.43 1bjj n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1bjj h LEU 110 N 4.12 0.35 -1.30 3.41 4.07 -0.77 -0.94 115.31 124.24 1bjj h LEU 110 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1bjj h LEU 110 Cb 0.93 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.63 1bjj h LEU 110 CO 0.00 0.16 0.00 -2.24 -1.08 0.00 0.00 178.44 175.28 1bjj h ASP 111 N 0.36 0.00 -0.01 -0.43 3.04 -1.82 -2.55 116.42 115.01 1bjj h ASP 111 Ca 0.40 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.19 1bjj h ASP 111 Cb 1.03 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.32 1bjj h ASP 111 CO -0.12 0.00 0.00 0.35 -2.04 0.00 0.00 179.24 177.43 1bjj n THR 112 N -2.50 0.00 -1.65 1.15 -2.24 -0.39 -5.02 114.28 103.64 1bjj n THR 112 Ca 0.00 -0.50 -0.50 0.00 -2.27 0.00 0.00 64.05 60.78 1bjj n THR 112 Cb 0.17 1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 69.47 1bjj n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bjj n TYR 113 N 0.34 1.98 -4.06 4.78 4.19 -0.96 -4.95 117.16 118.48 1bjj n TYR 113 Ca 0.03 0.39 -0.33 0.00 3.31 0.00 0.00 57.90 61.31 1bjj n TYR 113 Cb 0.15 -2.48 -0.15 0.00 0.49 0.00 0.00 39.34 37.35 1bjj n TYR 113 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1bjj s ASN 114 N 1.65 4.05 0.65 2.98 3.04 -1.26 -4.97 114.94 121.08 1bjj s ASN 114 Ca 0.86 -1.07 0.30 0.00 0.04 0.00 0.00 52.86 52.99 1bjj s ASN 114 Cb -0.83 -1.56 1.60 0.00 -1.54 0.00 0.00 41.25 38.91 1bjj s ASN 114 CO 0.47 -0.12 1.92 0.78 -3.04 0.00 0.00 177.10 177.11 1bjj h ASN 115 N 7.88 0.00 0.41 -4.21 -0.26 -1.97 0.12 115.58 117.54 1bjj h ASN 115 Ca -0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 1bjj h ASN 115 Cb 1.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 1bjj h ASN 115 CO 0.54 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.52 1bjj n GLY 116 N -1.29 -1.04 0.21 2.83 0.00 -1.26 -2.34 105.19 102.30 1bjj n GLY 116 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.00 1bjj n GLY 116 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bjj n TYR 117 N -1.26 0.00 -2.38 1.61 4.01 0.41 -4.79 117.16 114.76 1bjj n TYR 117 Ca 0.12 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.45 1bjj n TYR 117 Cb 0.18 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 1bjj n TYR 117 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 1bjj s MET 118 N -2.54 4.47 -1.04 -0.72 1.75 -0.99 -0.90 119.30 119.34 1bjj s MET 118 Ca 0.12 1.85 -0.06 0.00 -1.25 0.00 0.00 55.69 56.35 1bjj s MET 118 Cb 0.15 -3.27 0.01 0.00 2.84 0.00 0.00 34.83 34.56 1bjj s MET 118 CO 0.65 -0.14 0.73 1.19 -0.65 0.00 0.00 175.02 176.81 1bjj n PHE 119 N 2.91 -1.90 -2.61 4.11 3.72 0.24 -4.94 117.46 118.99 1bjj n PHE 119 Ca 0.06 0.63 -0.43 0.00 -0.05 0.00 0.00 57.45 57.66 1bjj n PHE 119 Cb 0.45 -3.83 -0.02 0.00 -0.94 0.00 0.00 39.48 35.14 1bjj n PHE 119 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1bjj s TYR 120 N -3.16 3.16 0.09 1.38 5.04 -1.03 -4.97 117.35 117.86 1bjj s TYR 120 Ca 0.36 1.26 -0.32 0.00 -2.44 0.00 0.00 57.07 55.94 1bjj s TYR 120 Cb -0.16 -3.53 -0.11 0.00 0.35 0.00 0.00 41.96 38.51 1bjj s TYR 120 CO 0.45 -0.81 1.85 0.54 -1.34 0.00 0.00 175.55 176.24 1bjj n ARG 121 N 6.67 2.69 0.26 4.97 1.74 -1.26 -4.73 116.66 127.01 1bjj n ARG 121 Ca 0.12 0.98 0.16 0.00 -0.77 0.00 0.00 57.85 58.35 1bjj n ARG 121 Cb 0.46 -2.87 0.88 0.00 -1.02 0.00 0.00 32.46 29.91 1bjj n ARG 121 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1bjj h ASP 122 N 8.77 0.00 0.04 0.55 1.82 -1.93 -1.36 116.42 124.31 1bjj h ASP 122 Ca -0.47 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.06 1bjj h ASP 122 Cb 1.23 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.23 1bjj h ASP 122 CO 0.94 0.00 -0.34 0.77 -1.61 0.00 0.00 179.24 179.00 1bjj h SER 124 N 0.00 0.43 0.00 2.28 4.64 -1.99 -2.55 113.55 116.36 1bjj h SER 124 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1bjj h SER 124 Cb 0.15 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1bjj h SER 124 CO 0.00 0.75 0.00 0.29 -0.87 0.00 0.00 176.83 177.00 1bjj n LYS 125 N -4.07 0.92 -2.26 4.77 5.02 -0.51 -3.89 118.16 118.14 1bjj n LYS 125 Ca -0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.87 1bjj n LYS 125 Cb 0.46 -1.27 0.03 0.00 -0.02 0.00 0.00 35.03 34.23 1bjj n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bjj s THR 127 N -4.73 5.23 -0.20 0.00 2.01 -1.25 -3.93 115.64 112.75 1bjj s THR 127 Ca 0.46 -1.61 -0.31 0.00 0.31 0.00 0.00 61.69 60.54 1bjj s THR 127 Cb 0.32 -4.39 0.15 0.00 0.01 0.00 0.00 72.50 68.59 1bjj s THR 127 CO -0.28 -0.94 1.18 -1.83 -0.69 0.00 0.00 174.62 172.05 1bjj s GLU 128 N 1.50 0.34 -0.33 4.92 -1.05 -1.26 -5.04 118.70 117.78 1bjj s GLU 128 Ca 0.07 0.01 -0.39 0.00 -0.15 0.00 0.00 54.97 54.51 1bjj s GLU 128 Cb -0.25 0.16 -0.15 0.00 -0.44 0.00 0.00 34.13 33.45 1bjj s GLU 128 CO 0.01 -0.12 1.95 2.41 0.95 0.00 0.00 175.26 180.46 1bjj n THR 129 N 0.39 0.23 -1.69 1.83 -1.04 -1.26 -3.79 114.28 108.95 1bjj n THR 129 Ca -0.04 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.05 61.44 1bjj n THR 129 Cb 0.58 -1.29 0.01 0.00 -1.82 0.00 0.00 70.33 67.82 1bjj n THR 129 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1bjj n SER 130 N 7.20 2.37 -4.80 8.00 7.64 -1.26 -4.52 113.62 128.26 1bjj n SER 130 Ca 0.35 1.10 -0.33 0.00 1.01 0.00 0.00 58.87 61.00 1bjj n SER 130 Cb 0.14 -1.48 0.01 0.00 -1.01 0.00 0.00 64.21 61.87 1bjj n SER 130 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1bjj s GLU 131 N -2.17 3.31 0.16 1.43 2.12 -0.95 -4.89 118.70 117.70 1bjj s GLU 131 Ca 0.61 1.26 -0.13 0.00 0.36 0.00 0.00 54.97 57.07 1bjj s GLU 131 Cb -0.52 -2.03 -0.07 0.00 0.26 0.00 0.00 34.13 31.78 1bjj s GLU 131 CO 0.58 -0.82 0.53 -1.21 -0.54 0.00 0.00 175.26 173.80 1bjj s GLU 132 N -3.96 3.91 0.00 4.30 0.41 -1.26 -5.03 118.70 117.08 1bjj s GLU 132 Ca 0.65 0.40 0.27 0.00 -0.41 0.00 0.00 54.97 55.88 1bjj s GLU 132 Cb -0.17 -2.88 1.58 0.00 -1.78 0.00 0.00 34.13 30.89 1bjj s GLU 132 CO 0.35 0.45 1.94 0.00 -0.49 0.00 0.00 175.26 177.51