#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 0.28 -0.80 -4.53 3.38 -0.98 0.48 115.31 113.15 1bjj h LEU 2 Ca 0.00 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1bjj h LEU 2 Cb 0.00 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1bjj h LEU 2 CO 0.00 0.02 0.33 0.25 0.09 0.00 0.00 178.44 179.13 1bjj h LEU 3 N 0.23 1.10 -0.34 1.67 5.85 -1.99 -0.54 115.31 121.29 1bjj h LEU 3 Ca 0.63 -0.17 -0.15 0.00 0.84 0.00 0.00 57.88 59.03 1bjj h LEU 3 Cb 1.92 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.66 1bjj h LEU 3 CO -0.23 0.96 -0.39 1.56 -0.34 0.00 0.00 178.44 180.00 1bjj h GLN 4 N 1.16 0.86 -0.42 1.25 4.20 -1.32 -2.20 115.11 118.64 1bjj h GLN 4 Ca 0.27 -0.47 0.04 0.00 0.06 0.00 0.00 58.65 58.55 1bjj h GLN 4 Cb 0.20 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 1bjj h GLN 4 CO -0.02 1.11 0.18 0.35 -0.67 0.00 0.00 178.83 179.77 1bjj h PHE 5 N 0.65 0.32 -0.54 2.96 3.57 -1.18 -0.05 116.94 122.67 1bjj h PHE 5 Ca 0.05 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.65 1bjj h PHE 5 Cb 0.98 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.57 1bjj h PHE 5 CO 0.07 0.14 0.17 -0.91 -2.23 0.00 0.00 178.31 175.55 1bjj h ASN 6 N 0.36 0.13 -0.24 0.41 4.21 -0.93 -0.59 115.58 118.92 1bjj h ASN 6 Ca 0.19 0.08 0.03 0.00 1.21 0.00 0.00 56.30 57.81 1bjj h ASN 6 Cb 0.14 0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 1bjj h ASN 6 CO -0.17 0.09 0.05 0.50 -1.29 0.00 0.00 177.43 176.61 1bjj h LYS 7 N 0.33 0.14 -0.31 0.81 3.64 -0.57 -1.61 116.57 118.99 1bjj h LYS 7 Ca 0.27 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.69 1bjj h LYS 7 Cb 0.33 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1bjj h LYS 7 CO -0.30 0.09 0.05 0.52 -2.27 0.00 0.00 179.45 177.54 1bjj h MET 8 N 0.14 0.15 -0.49 1.90 2.86 -0.05 -0.85 114.93 118.59 1bjj h MET 8 Ca 0.11 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 1bjj h MET 8 Cb 0.11 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 1bjj h MET 8 CO -0.15 0.10 0.22 0.82 1.06 0.00 0.00 176.91 178.96 1bjj h ILE 9 N 0.16 0.90 -0.79 -1.22 2.04 -0.78 0.88 117.51 118.70 1bjj h ILE 9 Ca 0.15 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1bjj h ILE 9 Cb 0.17 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1bjj h ILE 9 CO -0.20 0.08 0.44 0.50 0.00 0.00 0.00 178.15 178.97 1bjj h LYS 10 N 0.43 1.09 0.11 2.37 1.63 -0.83 0.06 116.57 121.43 1bjj h LYS 10 Ca 0.23 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1bjj h LYS 10 Cb 0.18 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1bjj h LYS 10 CO -0.19 0.79 -0.05 0.93 -3.45 0.00 0.00 179.45 177.48 1bjj h GLU 12 N 1.10 -0.14 -0.18 1.90 4.39 -0.01 0.21 114.58 121.86 1bjj h GLU 12 Ca 0.28 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.86 1bjj h GLU 12 Cb 0.01 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1bjj h GLU 12 CO -0.05 0.16 -0.40 0.93 -1.16 0.00 0.00 179.01 178.50 1bjj h GLU 13 N -0.44 0.58 0.00 2.33 4.39 -0.78 -3.37 114.58 117.29 1bjj h GLU 13 Ca -0.01 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 1bjj h GLU 13 Cb 0.36 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1bjj h GLU 13 CO 0.02 1.00 -1.90 0.25 -1.16 0.00 0.00 179.01 177.22 1bjj n THR 14 N -4.27 0.02 0.00 1.13 -2.24 -0.00 -4.76 114.28 104.17 1bjj n THR 14 Ca -0.06 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1bjj n THR 14 Cb 0.53 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.40 2.66 3.96 3.38 0.00 0.73 -5.01 105.19 112.31 1bjj n GLY 15 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.29 3.01 0.08 1.61 1.02 -1.26 -4.95 119.74 118.96 1bjj s LYS 16 Ca 0.00 -0.54 -0.18 0.00 0.02 0.00 0.00 55.97 55.26 1bjj s LYS 16 Cb 0.00 -2.56 -0.07 0.00 -0.52 0.00 0.00 37.83 34.68 1bjj s LYS 16 CO 0.00 -0.31 0.56 -0.80 -0.92 0.00 0.00 175.35 173.88 1bjj s ASN 17 N -4.24 7.02 0.25 2.83 0.02 -1.26 -3.46 114.94 116.10 1bjj s ASN 17 Ca 0.49 1.22 -0.03 0.00 -1.02 0.00 0.00 52.86 53.52 1bjj s ASN 17 Cb -0.10 -2.35 0.51 0.00 0.02 0.00 0.00 41.25 39.34 1bjj s ASN 17 CO 0.38 0.26 1.69 0.00 0.02 0.00 0.00 177.10 179.44 1bjj h ALA 18 N 4.42 1.04 -3.28 0.60 0.00 -1.93 -3.19 119.26 116.91 1bjj h ALA 18 Ca -0.50 0.17 -0.62 0.00 0.00 0.00 0.00 54.91 53.96 1bjj h ALA 18 Cb 1.21 0.22 -0.17 0.00 0.00 0.00 0.00 17.79 19.06 1bjj h ALA 18 CO 0.64 -0.34 -0.58 0.42 0.00 0.00 0.00 179.25 179.38 1bjj s ILE 19 N -6.02 4.62 -0.74 0.00 1.01 -1.26 0.11 121.20 118.92 1bjj s ILE 19 Ca -0.13 -0.10 0.23 0.00 0.00 0.00 0.00 60.65 60.66 1bjj s ILE 19 Cb 0.22 -3.07 -0.09 0.00 0.01 0.00 0.00 42.46 39.53 1bjj s ILE 19 CO 0.76 0.47 1.12 -0.81 0.00 0.00 0.00 174.94 176.48 1bjj n PRO 20 N 3.49 0.19 -0.48 2.79 -0.04 -1.26 -4.93 135.00 134.77 1bjj n PRO 20 Ca -0.17 0.00 0.39 0.00 -0.04 0.00 0.00 63.50 63.69 1bjj n PRO 20 Cb 0.52 -1.57 0.69 0.00 -0.04 0.00 0.00 33.50 33.10 1bjj n PRO 20 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1bjj h PHE 21 N 0.00 0.38 0.00 0.54 0.04 -1.51 -2.36 116.94 114.03 1bjj h PHE 21 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1bjj h PHE 21 Cb 0.65 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1bjj h PHE 21 CO 0.00 -0.14 0.00 0.66 -0.60 0.00 0.00 178.31 178.23 1bjj n TYR 22 N -4.50 0.00 0.03 -0.55 4.01 0.30 -4.64 117.16 111.82 1bjj n TYR 22 Ca 0.37 -0.11 -0.05 0.00 -0.16 0.00 0.00 57.90 57.94 1bjj n TYR 22 Cb 1.50 -0.01 -0.11 0.00 -0.31 0.00 0.00 39.34 40.41 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 0.62 -2.06 -0.72 0.00 -0.77 -3.31 119.26 113.02 1bjj h ALA 23 Ca 0.00 -1.10 -0.54 0.00 0.00 0.00 0.00 54.91 53.27 1bjj h ALA 23 Cb 0.31 0.21 -0.40 0.00 0.00 0.00 0.00 17.79 17.91 1bjj h ALA 23 CO 0.00 1.28 -1.01 1.19 0.00 0.00 0.00 179.25 180.70 1bjj n PHE 24 N -3.12 0.90 -4.98 0.00 3.01 -1.17 -3.57 117.46 108.53 1bjj n PHE 24 Ca -0.09 -3.78 -0.28 0.00 1.01 0.00 0.00 57.45 54.31 1bjj n PHE 24 Cb 0.95 -0.42 -0.16 0.00 -0.01 0.00 0.00 39.48 39.84 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 -2.05 1.91 0.00 1.38 5.04 -0.45 0.60 117.35 123.78 1bjj s TYR 25 Ca 0.39 -0.51 0.00 0.00 -2.44 0.00 0.00 57.07 54.51 1bjj s TYR 25 Cb 0.24 -1.27 0.00 0.00 0.35 0.00 0.00 41.96 41.29 1bjj s TYR 25 CO -0.09 -0.15 0.00 0.41 -1.34 0.00 0.00 175.55 174.39 1bjj n GLY 26 N 2.96 1.16 0.05 8.97 0.00 -0.42 -1.54 105.19 116.37 1bjj n GLY 26 Ca -0.17 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.30 0.00 -2.60 0.00 4.01 -1.25 -3.13 117.16 111.89 1bjj n TYR 28 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1bjj n TYR 28 Cb 0.53 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.44 1bjj n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bjj n GLY 30 N 5.12 1.02 3.52 0.00 0.00 -1.23 -1.34 105.19 112.28 1bjj n GLY 30 Ca 0.07 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 1bjj n GLY 30 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1bjj n TRP 31 N -1.71 1.34 -0.31 1.61 -0.00 -1.26 -4.64 117.44 112.47 1bjj n TRP 31 Ca 0.00 0.18 0.04 0.00 -0.00 0.00 0.00 57.50 57.73 1bjj n TRP 31 Cb 0.00 -2.57 -0.01 0.00 -0.00 0.00 0.00 31.31 28.73 1bjj n TRP 31 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1bjj n GLY 32 N 6.21 -1.50 3.72 5.87 0.00 -1.26 -5.08 105.19 113.15 1bjj n GLY 32 Ca 0.43 -1.45 0.01 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.43 -0.32 -0.21 -0.02 0.00 -1.26 -4.67 107.32 97.41 1bjj s GLY 33 Ca 0.00 0.47 -0.36 0.00 0.00 0.00 0.00 44.72 44.83 1bjj s GLY 33 CO 0.00 1.42 1.37 -0.86 0.00 0.00 0.00 173.10 175.04 1bjj s GLN 34 N -2.37 0.08 2.25 2.90 -2.07 -1.18 -5.02 119.66 114.25 1bjj s GLN 34 Ca 0.18 -0.04 0.00 0.00 -1.82 0.00 0.00 55.36 53.68 1bjj s GLN 34 Cb 0.03 0.03 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 1bjj s GLN 34 CO -0.02 -0.04 0.00 0.41 -1.32 0.00 0.00 175.29 174.32 1bjj n GLY 35 N -0.17 0.32 3.25 2.60 0.00 -1.25 -4.75 105.19 105.19 1bjj n GLY 35 Ca 0.00 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 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 1.54 0.19 1.61 1.02 -1.26 -2.03 119.74 120.81 1bjj s LYS 36 Ca 0.00 -0.89 -0.33 0.00 0.02 0.00 0.00 55.97 54.78 1bjj s LYS 36 Cb 0.00 -1.59 -0.14 0.00 -0.52 0.00 0.00 37.83 35.58 1bjj s LYS 36 CO 0.00 0.42 1.51 -2.30 -0.92 0.00 0.00 175.35 174.06 1bjj n PRO 37 N 2.10 2.11 -0.19 -1.68 -0.02 -1.26 -4.74 135.00 131.32 1bjj n PRO 37 Ca -0.16 0.76 -0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1bjj n PRO 37 Cb 0.53 -2.48 0.01 0.00 -0.02 0.00 0.00 33.50 31.54 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 5.27 0.99 0.00 -0.52 1.79 -1.96 -3.47 116.57 118.67 1bjj h LYS 38 Ca -0.45 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 57.67 1bjj h LYS 38 Cb 1.26 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1bjj h LYS 38 CO 0.84 1.03 0.00 -0.40 -1.08 0.00 0.00 179.45 179.83 1bjj n ASP 39 N -4.21 0.00 -0.13 0.86 5.75 -1.26 -5.00 116.55 112.56 1bjj n ASP 39 Ca 0.01 -0.79 -0.05 0.00 -0.01 0.00 0.00 54.79 53.95 1bjj n ASP 39 Cb 0.37 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.00 0.52 0.92 6.12 0.00 -1.93 -0.26 103.07 108.44 1bjj h GLY 40 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1bjj h GLY 40 CO 0.00 -0.00 0.11 -0.84 0.00 0.00 0.00 176.54 175.81 1bjj h THR 41 N 0.27 1.21 0.00 4.70 2.02 -1.91 -2.33 112.91 116.87 1bjj h THR 41 Ca 0.20 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1bjj h THR 41 Cb 0.21 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1bjj h THR 41 CO -0.22 0.23 -0.05 -0.78 0.37 0.00 0.00 175.52 175.07 1bjj h ASP 42 N 0.41 0.00 0.35 4.18 3.58 -1.82 -0.81 116.42 122.31 1bjj h ASP 42 Ca 0.11 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.35 1bjj h ASP 42 Cb 0.25 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 1bjj h ASP 42 CO -0.00 0.05 -0.86 -0.09 -2.88 0.00 0.00 179.24 175.45 1bjj h ARG 43 N 0.00 0.38 -0.68 0.28 2.43 -0.53 -2.64 114.38 113.62 1bjj h ARG 43 Ca -0.00 -0.37 0.03 0.00 -0.81 0.00 0.00 59.98 58.83 1bjj h ARG 43 Cb 0.23 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 1bjj h ARG 43 CO 0.01 1.04 0.45 0.00 -1.51 0.00 0.00 179.97 179.95 1bjj h PHE 46 N 0.28 0.50 -0.30 0.00 3.57 -0.92 -1.84 116.94 118.24 1bjj h PHE 46 Ca -0.06 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 1bjj h PHE 46 Cb 1.47 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.03 1bjj h PHE 46 CO 0.06 0.42 -0.16 0.28 -2.23 0.00 0.00 178.31 176.67 1bjj h VAL 47 N 0.45 1.24 -0.49 1.41 2.07 -1.19 -2.60 116.25 117.14 1bjj h VAL 47 Ca 0.12 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.54 1bjj h VAL 47 Cb 0.09 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1bjj h VAL 47 CO -0.02 0.36 0.31 -0.74 0.02 0.00 0.00 177.57 177.51 1bjj h HIS 48 N 0.48 0.59 -0.18 1.57 -0.00 -1.05 0.11 115.15 116.67 1bjj h HIS 48 Ca 0.08 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.50 1bjj h HIS 48 Cb 0.56 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 1bjj h HIS 48 CO 0.02 0.36 -0.04 -0.44 -0.00 0.00 0.00 177.93 177.82 1bjj h ASP 49 N 0.63 -0.17 -0.30 3.26 5.19 -1.03 0.43 116.42 124.44 1bjj h ASP 49 Ca 0.19 0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.69 1bjj h ASP 49 Cb -0.04 0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.54 1bjj h ASP 49 CO -0.06 -0.06 0.08 0.00 -3.12 0.00 0.00 179.24 176.09 1bjj h TYR 52 N -0.43 0.51 -0.01 0.00 -1.99 -0.47 -1.52 116.97 113.06 1bjj h TYR 52 Ca 0.10 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1bjj h TYR 52 Cb 0.59 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 39.16 1bjj h TYR 52 CO -0.47 0.42 0.01 0.78 -0.00 0.00 0.00 178.16 178.90 1bjj h GLY 53 N 0.69 0.00 1.58 3.88 0.00 0.27 -0.73 103.07 108.76 1bjj h GLY 53 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1bjj h GLY 53 CO -0.01 0.00 -0.16 0.54 0.00 0.00 0.00 176.54 176.91 1bjj n ARG 54 N -3.81 0.09 -2.63 4.80 1.74 -0.48 -4.05 116.66 112.32 1bjj n ARG 54 Ca -0.03 -0.02 -0.36 0.00 -0.77 0.00 0.00 57.85 56.67 1bjj n ARG 54 Cb 0.09 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.04 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 -1.44 6.49 -0.39 0.55 4.32 -0.28 -4.87 117.00 121.38 1bjj n LEU 55 Ca 0.08 -5.39 0.32 0.00 -0.02 0.00 0.00 56.01 50.99 1bjj n LEU 55 Cb 0.33 -0.96 0.59 0.00 -1.62 0.00 0.00 43.42 41.76 1bjj n LEU 55 CO 0.29 2.11 1.20 1.62 -1.22 0.00 0.00 177.39 181.38 1bjj h VAL 56 N 2.41 0.21 -0.31 4.08 3.04 -1.75 -1.26 116.25 122.67 1bjj h VAL 56 Ca 0.42 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 66.05 1bjj h VAL 56 Cb 0.36 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.67 1bjj h VAL 56 CO 1.10 0.03 0.00 -0.46 -1.01 0.00 0.00 177.57 177.23 1bjj n ASN 59 N -4.79 4.15 -4.63 3.17 6.94 -1.26 -4.99 115.26 113.85 1bjj n ASN 59 Ca 0.34 -2.98 -0.31 0.00 -0.02 0.00 0.00 54.58 51.61 1bjj n ASN 59 Cb 1.24 -0.56 -0.09 0.00 -2.36 0.00 0.00 39.78 38.01 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 1.08 5.73 -0.39 0.00 4.13 -1.26 -4.79 115.26 119.76 1bjj n ASN 67 Ca -0.14 -2.91 0.32 0.00 1.68 0.00 0.00 54.58 53.53 1bjj n ASN 67 Cb 0.52 -1.55 0.59 0.00 -1.54 0.00 0.00 39.78 37.81 1bjj n ASN 67 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1bjj h THR 68 N 3.54 0.21 0.01 3.41 1.35 -1.93 -0.27 112.91 119.24 1bjj h THR 68 Ca 0.60 -0.06 -0.33 0.00 -0.55 0.00 0.00 66.41 66.07 1bjj h THR 68 Cb 0.52 0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 66.91 1bjj h THR 68 CO 1.74 0.03 -2.01 0.29 -0.25 0.00 0.00 175.52 175.32 1bjj n LYS 69 N -4.78 0.67 -0.01 4.72 5.02 -1.26 -4.55 118.16 117.96 1bjj n LYS 69 Ca 0.34 0.19 0.08 0.00 -2.02 0.00 0.00 58.31 56.91 1bjj n LYS 69 Cb 1.25 -1.68 -0.14 0.00 -0.02 0.00 0.00 35.03 34.44 1bjj n LYS 69 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1bjj n SER 70 N -3.02 0.86 -4.68 4.39 3.41 -1.06 -0.37 113.62 113.15 1bjj n SER 70 Ca -0.26 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.93 1bjj n SER 70 Cb 1.08 1.80 -0.03 0.00 -0.26 0.00 0.00 64.21 66.80 1bjj n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bjj s ASP 71 N -4.12 6.54 -0.06 4.04 -1.08 -0.14 -4.57 116.67 117.29 1bjj s ASP 71 Ca -0.07 2.55 -0.22 0.00 -0.52 0.00 0.00 52.55 54.29 1bjj s ASP 71 Cb 0.11 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.98 1bjj s ASP 71 CO 0.75 -0.95 0.66 -0.63 0.52 0.00 0.00 175.17 175.51 1bjj s ILE 72 N 3.21 5.03 0.47 4.11 1.01 -1.26 0.11 121.20 133.88 1bjj s ILE 72 Ca 0.78 1.36 0.04 0.00 0.00 0.00 0.00 60.65 62.83 1bjj s ILE 72 Cb -0.41 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 1bjj s ILE 72 CO 0.35 0.29 0.02 -0.72 0.00 0.00 0.00 174.94 174.88 1bjj s TYR 73 N 0.57 2.15 -0.19 3.97 -0.85 -1.26 -4.87 117.35 116.86 1bjj s TYR 73 Ca 0.35 -0.83 -0.10 0.00 -0.52 0.00 0.00 57.07 55.98 1bjj s TYR 73 Cb -0.18 -1.70 -0.05 0.00 0.38 0.00 0.00 41.96 40.42 1bjj s TYR 73 CO 0.17 0.30 0.12 0.45 -1.52 0.00 0.00 175.55 175.08 1bjj s SER 74 N -3.82 6.16 0.19 -0.18 0.15 -1.26 -4.95 113.70 109.99 1bjj s SER 74 Ca 0.19 0.23 -0.21 0.00 0.70 0.00 0.00 55.95 56.86 1bjj s SER 74 Cb 0.05 -2.07 0.05 0.00 -1.71 0.00 0.00 66.02 62.34 1bjj s SER 74 CO 0.10 0.20 0.60 -0.72 1.20 0.00 0.00 173.24 174.62 1bjj s TYR 75 N 0.26 -0.38 0.23 3.44 1.13 -1.26 0.74 117.35 121.51 1bjj s TYR 75 Ca 0.08 0.09 -0.22 0.00 -1.41 0.00 0.00 57.07 55.61 1bjj s TYR 75 Cb -0.11 0.55 0.04 0.00 -1.10 0.00 0.00 41.96 41.34 1bjj s TYR 75 CO -0.01 -0.94 0.67 -1.54 -2.51 0.00 0.00 175.55 171.22 1bjj s SER 76 N -2.81 -0.38 -0.78 -0.18 1.04 -0.07 -4.86 113.70 105.66 1bjj s SER 76 Ca 0.05 -0.37 -0.16 0.00 0.48 0.00 0.00 55.95 55.95 1bjj s SER 76 Cb -0.02 0.68 0.18 0.00 0.10 0.00 0.00 66.02 66.96 1bjj s SER 76 CO -0.07 -1.20 0.78 -0.76 0.98 0.00 0.00 173.24 172.97 1bjj s LEU 77 N -2.85 6.27 -0.52 2.42 2.01 -1.26 0.00 118.68 124.75 1bjj s LEU 77 Ca 0.07 -2.34 -0.21 0.00 0.01 0.00 0.00 54.13 51.67 1bjj s LEU 77 Cb -0.04 -2.25 0.05 0.00 0.01 0.00 0.00 46.19 43.96 1bjj s LEU 77 CO -0.01 -0.75 0.73 -0.75 1.01 0.00 0.00 176.35 176.58 1bjj s LYS 78 N 1.02 3.18 -1.10 1.70 2.20 0.42 -4.33 119.74 122.83 1bjj s LYS 78 Ca 0.18 -0.72 -0.03 0.00 -0.36 0.00 0.00 55.97 55.04 1bjj s LYS 78 Cb -0.13 -4.09 -0.03 0.00 -1.51 0.00 0.00 37.83 32.06 1bjj s LYS 78 CO -0.06 -1.32 0.94 -1.91 -0.36 0.00 0.00 175.35 172.65 1bjj n GLU 79 N 6.58 -4.38 -1.69 4.03 0.00 -1.26 -1.93 120.64 121.98 1bjj n GLU 79 Ca -0.04 0.84 -0.19 0.00 0.00 0.00 0.00 57.16 57.77 1bjj n GLU 79 Cb 0.46 -5.78 -0.07 0.00 0.00 0.00 0.00 31.44 26.05 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 -1.18 1.45 3.00 8.31 0.00 -1.26 -4.95 105.19 110.56 1bjj n GLY 80 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.68 1.45 -0.32 1.61 1.51 -0.81 -5.09 117.35 113.01 1bjj s TYR 81 Ca 0.00 -0.57 -0.29 0.00 -1.01 0.00 0.00 57.07 55.20 1bjj s TYR 81 Cb 0.00 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.75 1bjj s TYR 81 CO 0.00 -0.32 1.59 0.42 -1.11 0.00 0.00 175.55 176.13 1bjj s ILE 82 N 0.87 3.72 -0.03 2.71 1.01 -1.26 -0.44 121.20 127.79 1bjj s ILE 82 Ca -0.11 0.77 0.04 0.00 0.00 0.00 0.00 60.65 61.34 1bjj s ILE 82 Cb -0.15 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1bjj s ILE 82 CO 0.01 -0.49 -0.11 -0.89 0.00 0.00 0.00 174.94 173.45 1bjj s THR 83 N 5.76 3.29 -0.00 2.92 2.01 0.10 -4.96 115.64 124.77 1bjj s THR 83 Ca 0.70 -0.76 -0.17 0.00 0.31 0.00 0.00 61.69 61.77 1bjj s THR 83 Cb -0.20 -2.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.90 1bjj s THR 83 CO 0.31 0.50 0.48 0.00 -0.69 0.00 0.00 174.62 175.22 1bjj s GLY 85 N -0.71 1.76 0.14 0.00 0.00 0.23 -4.92 107.32 103.82 1bjj s GLY 85 Ca 0.26 -1.58 -0.23 0.00 0.00 0.00 0.00 44.72 43.16 1bjj s GLY 85 CO 0.15 -0.98 0.70 1.25 0.00 0.00 0.00 173.10 174.22 1bjj s LYS 86 N -5.31 4.44 0.00 2.90 2.47 -1.26 -4.74 119.74 118.24 1bjj s LYS 86 Ca 0.68 1.01 0.00 0.00 -1.56 0.00 0.00 55.97 56.10 1bjj s LYS 86 Cb -0.05 -3.25 0.00 0.00 -1.46 0.00 0.00 37.83 33.07 1bjj s LYS 86 CO 0.46 0.59 0.00 0.41 0.16 0.00 0.00 175.35 176.97 1bjj n GLY 88 N 1.62 1.71 3.94 5.54 0.00 -1.26 -4.79 105.19 111.96 1bjj n GLY 88 Ca -0.07 0.28 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 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 1.93 4.84 0.18 2.61 -4.23 -1.26 -4.92 115.64 114.79 1bjj s THR 89 Ca 0.00 -1.08 -0.17 0.00 -1.18 0.00 0.00 61.69 59.26 1bjj s THR 89 Cb 0.00 -3.68 0.14 0.00 1.34 0.00 0.00 72.50 70.30 1bjj s THR 89 CO 0.00 -0.30 1.64 -1.13 -0.54 0.00 0.00 174.62 174.29 1bjj h ASN 90 N 1.18 -0.59 0.34 3.99 -0.73 -2.02 0.70 115.58 118.46 1bjj h ASN 90 Ca -0.50 0.16 -0.00 0.00 1.87 0.00 0.00 56.30 57.82 1bjj h ASN 90 Cb 1.24 0.35 -0.02 0.00 0.27 0.00 0.00 38.32 40.16 1bjj h ASN 90 CO 0.59 -0.20 -0.29 0.00 -0.37 0.00 0.00 177.43 177.16 1bjj h GLU 92 N -0.65 -0.14 -0.72 0.00 5.08 -1.77 0.43 114.58 116.81 1bjj h GLU 92 Ca -0.02 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1bjj h GLU 92 Cb 0.57 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1bjj h GLU 92 CO -0.03 -0.09 0.39 0.93 -1.00 0.00 0.00 179.01 179.21 1bjj h GLU 93 N -0.14 1.00 -0.09 2.33 5.08 -0.59 0.87 114.58 123.05 1bjj h GLU 93 Ca 0.18 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1bjj h GLU 93 Cb 0.42 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1bjj h GLU 93 CO -0.44 0.74 -0.31 1.96 -1.00 0.00 0.00 179.01 179.96 1bjj h GLN 94 N 1.01 0.36 -0.80 2.33 1.08 0.18 -2.16 115.11 117.12 1bjj h GLN 94 Ca 0.26 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1bjj h GLN 94 Cb 0.03 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 1bjj h GLN 94 CO -0.04 0.90 0.46 0.82 -0.95 0.00 0.00 178.83 180.02 1bjj h ILE 95 N -0.10 1.23 -0.78 2.54 2.04 -0.01 -1.68 117.51 120.74 1bjj h ILE 95 Ca -0.01 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 1bjj h ILE 95 Cb 0.94 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1bjj h ILE 95 CO 0.07 0.25 0.30 0.00 0.00 0.00 0.00 178.15 178.76 1bjj h GLU 97 N 1.14 0.80 -0.24 0.00 4.39 -0.87 0.32 114.58 120.12 1bjj h GLU 97 Ca 0.26 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1bjj h GLU 97 Cb 0.23 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1bjj h GLU 97 CO -0.02 0.79 0.12 0.00 -1.16 0.00 0.00 179.01 178.74 1bjj h ASP 99 N 0.26 -0.03 -0.03 0.00 3.32 -1.06 -2.60 116.42 116.28 1bjj h ASP 99 Ca 0.08 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 56.98 1bjj h ASP 99 Cb 0.11 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 1bjj h ASP 99 CO -0.01 0.17 -0.36 -0.09 -1.72 0.00 0.00 179.24 177.23 1bjj h ARG 100 N -0.23 -0.48 -0.78 3.56 2.43 -0.91 -0.34 114.38 117.63 1bjj h ARG 100 Ca -0.00 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1bjj h ARG 100 Cb 0.22 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 1bjj h ARG 100 CO 0.01 -0.32 0.50 0.28 -1.51 0.00 0.00 179.97 178.93 1bjj h VAL 101 N -0.50 1.14 -0.39 0.20 2.07 -1.50 -1.95 116.25 115.33 1bjj h VAL 101 Ca 0.06 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1bjj h VAL 101 Cb 0.60 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1bjj h VAL 101 CO -0.31 0.18 0.16 0.00 0.02 0.00 0.00 177.57 177.62 1bjj h ALA 102 N 1.32 0.51 -1.00 1.67 0.00 -1.06 0.27 119.26 120.97 1bjj h ALA 102 Ca 0.30 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1bjj h ALA 102 Cb -0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 1bjj h ALA 102 CO -0.10 0.10 0.64 0.00 0.00 0.00 0.00 179.25 179.90 1bjj h ALA 103 N 1.01 1.42 0.01 0.00 0.00 -0.67 -1.01 119.26 120.02 1bjj h ALA 103 Ca 0.13 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 1bjj h ALA 103 Cb 0.18 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1bjj h ALA 103 CO -0.01 0.43 -0.94 0.93 0.00 0.00 0.00 179.25 179.66 1bjj h GLU 104 N 1.16 0.29 -0.80 0.00 5.08 -1.00 -3.05 114.58 116.26 1bjj h GLU 104 Ca 0.43 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1bjj h GLU 104 Cb 0.18 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1bjj h GLU 104 CO -0.17 1.05 0.53 0.00 -1.00 0.00 0.00 179.01 179.41 1bjj h PHE 106 N 1.04 0.00 -0.91 0.00 0.04 -1.17 -2.48 116.94 113.45 1bjj h PHE 106 Ca 0.30 -0.00 0.16 0.00 2.80 0.00 0.00 57.97 61.23 1bjj h PHE 106 Cb -0.05 -0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.00 1bjj h PHE 106 CO -0.00 0.13 0.50 -0.09 -0.60 0.00 0.00 178.31 178.25 1bjj h ARG 107 N -0.12 0.68 0.00 1.51 2.43 -1.21 0.22 114.38 117.88 1bjj h ARG 107 Ca 0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1bjj h ARG 107 Cb 0.13 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1bjj h ARG 107 CO -0.00 0.45 -0.34 0.00 -1.51 0.00 0.00 179.97 178.57 1bjj h ARG 108 N 0.70 0.00 -0.66 0.20 3.08 -1.03 -3.02 114.38 113.65 1bjj h ARG 108 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 1bjj h ARG 108 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1bjj h ARG 108 CO -0.36 0.34 0.00 0.09 -1.07 0.00 0.00 179.97 178.97 1bjj n ASN 109 N -3.82 4.18 -0.30 7.04 3.02 -0.02 -4.50 115.26 120.85 1bjj n ASN 109 Ca -0.01 -2.19 0.05 0.00 -0.03 0.00 0.00 54.58 52.40 1bjj n ASN 109 Cb 0.42 -0.50 0.20 0.00 -0.61 0.00 0.00 39.78 39.29 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 3.97 0.66 -1.60 3.41 3.38 -1.19 -1.64 115.31 122.30 1bjj h LEU 110 Ca 0.00 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.15 1bjj h LEU 110 Cb 1.15 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1bjj h LEU 110 CO 0.09 0.34 0.45 -2.24 0.09 0.00 0.00 178.44 177.17 1bjj h ASP 111 N 0.76 0.39 -0.61 -0.43 2.03 -1.84 -0.94 116.42 115.78 1bjj h ASP 111 Ca 0.44 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.75 1bjj h ASP 111 Cb 0.49 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 1bjj h ASP 111 CO -0.29 0.22 0.00 0.35 -1.03 0.00 0.00 179.24 178.49 1bjj n THR 112 N -4.47 1.73 -1.85 1.15 -2.24 -0.64 -4.96 114.28 102.99 1bjj n THR 112 Ca 0.12 -1.21 -0.42 0.00 -2.27 0.00 0.00 64.05 60.27 1bjj n THR 112 Cb 0.44 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1bjj n THR 112 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1bjj s TYR 113 N -1.76 2.46 -0.23 4.78 5.04 -0.36 -4.90 117.35 122.38 1bjj s TYR 113 Ca 0.48 0.26 0.00 0.00 -2.44 0.00 0.00 57.07 55.38 1bjj s TYR 113 Cb 0.31 -4.03 0.03 0.00 0.35 0.00 0.00 41.96 38.61 1bjj s TYR 113 CO 0.24 -4.13 -0.11 1.21 -1.34 0.00 0.00 175.55 171.42 1bjj s ASN 114 N 2.24 4.02 0.57 4.32 3.84 -1.26 -4.97 114.94 123.69 1bjj s ASN 114 Ca 0.76 -0.92 0.27 0.00 0.21 0.00 0.00 52.86 53.17 1bjj s ASN 114 Cb -0.43 -1.59 1.52 0.00 -0.55 0.00 0.00 41.25 40.20 1bjj s ASN 114 CO 0.33 -0.10 2.03 0.78 -2.79 0.00 0.00 177.10 177.35 1bjj h ASN 115 N 7.94 0.00 0.19 -4.21 -0.26 -1.98 0.22 115.58 117.48 1bjj h ASN 115 Ca -0.33 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.41 1bjj h ASN 115 Cb 1.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.36 1bjj h ASN 115 CO 0.57 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.55 1bjj n GLY 116 N -1.50 -0.72 0.09 2.83 0.00 -1.26 -1.87 105.19 102.76 1bjj n GLY 116 Ca 0.05 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.18 0.00 -2.27 1.61 4.01 0.76 -4.87 117.16 115.22 1bjj n TYR 117 Ca 0.10 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.47 1bjj n TYR 117 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 1bjj n TYR 117 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1bjj s MET 118 N -2.76 3.84 -1.45 -0.72 -1.94 -0.78 -1.30 119.30 114.19 1bjj s MET 118 Ca 0.09 1.78 -0.06 0.00 -1.71 0.00 0.00 55.69 55.79 1bjj s MET 118 Cb 0.15 -2.47 0.05 0.00 2.01 0.00 0.00 34.83 34.57 1bjj s MET 118 CO 0.75 -0.49 0.72 1.19 -0.01 0.00 0.00 175.02 177.19 1bjj n PHE 119 N -0.35 -1.94 -2.78 -0.03 3.72 0.20 -4.89 117.46 111.39 1bjj n PHE 119 Ca 0.07 0.83 -0.43 0.00 -0.05 0.00 0.00 57.45 57.87 1bjj n PHE 119 Cb 0.48 -3.92 -0.04 0.00 -0.94 0.00 0.00 39.48 35.06 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 -3.59 2.99 0.13 1.38 5.04 -1.18 -4.99 117.35 117.13 1bjj s TYR 120 Ca 0.29 0.63 -0.32 0.00 -2.44 0.00 0.00 57.07 55.23 1bjj s TYR 120 Cb -0.15 -3.86 -0.12 0.00 0.35 0.00 0.00 41.96 38.18 1bjj s TYR 120 CO 0.85 -0.98 1.75 0.54 -1.34 0.00 0.00 175.55 176.37 1bjj n ARG 121 N 7.05 2.55 -0.01 4.97 1.74 -1.26 -4.80 116.66 126.90 1bjj n ARG 121 Ca 0.07 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.08 1bjj n ARG 121 Cb 0.48 -2.77 0.01 0.00 -1.02 0.00 0.00 32.46 29.16 1bjj n ARG 121 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1bjj n ASP 122 N 4.79 0.76 0.15 0.55 5.75 -1.26 -1.89 116.55 125.40 1bjj n ASP 122 Ca 0.18 -2.01 0.06 0.00 -0.01 0.00 0.00 54.79 53.00 1bjj n ASP 122 Cb 0.34 -0.34 0.06 0.00 -1.03 0.00 0.00 41.12 40.14 1bjj n ASP 122 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1bjj h SER 124 N 0.08 0.00 -0.09 -1.12 4.64 -2.00 -2.74 113.55 112.33 1bjj h SER 124 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bjj h SER 124 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1bjj h SER 124 CO 0.01 0.32 0.00 0.29 -0.87 0.00 0.00 176.83 176.58 1bjj n LYS 125 N -3.11 1.54 -1.76 4.77 5.02 -0.79 -4.04 118.16 119.78 1bjj n LYS 125 Ca 0.01 -0.81 -0.37 0.00 -2.02 0.00 0.00 58.31 55.12 1bjj n LYS 125 Cb 0.67 -1.41 0.05 0.00 -0.02 0.00 0.00 35.03 34.32 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 -5.01 5.17 -0.08 0.00 2.01 -1.26 -3.82 115.64 112.65 1bjj s THR 127 Ca 0.56 -1.52 -0.30 0.00 0.31 0.00 0.00 61.69 60.74 1bjj s THR 127 Cb 0.46 -4.40 0.11 0.00 0.01 0.00 0.00 72.50 68.68 1bjj s THR 127 CO -0.26 -0.96 0.93 -1.83 -0.69 0.00 0.00 174.62 171.81 1bjj s GLU 128 N 1.67 0.72 -0.21 4.92 -1.05 -1.26 -5.04 118.70 118.46 1bjj s GLU 128 Ca 0.07 -0.05 -0.36 0.00 -0.15 0.00 0.00 54.97 54.48 1bjj s GLU 128 Cb -0.26 0.34 -0.13 0.00 -0.44 0.00 0.00 34.13 33.64 1bjj s GLU 128 CO 0.02 -0.27 1.92 2.41 0.95 0.00 0.00 175.26 180.28 1bjj n THR 129 N 0.28 0.41 -1.84 1.83 -1.04 -1.26 -3.95 114.28 108.71 1bjj n THR 129 Ca -0.10 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.05 61.37 1bjj n THR 129 Cb 0.60 -1.65 -0.01 0.00 -1.82 0.00 0.00 70.33 67.45 1bjj n THR 129 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1bjj s SER 130 N 4.72 6.41 0.86 8.00 0.01 -1.26 -4.56 113.70 127.89 1bjj s SER 130 Ca 0.98 2.98 -0.11 0.00 1.31 0.00 0.00 55.95 61.11 1bjj s SER 130 Cb -0.83 -2.66 0.11 0.00 0.21 0.00 0.00 66.02 62.85 1bjj s SER 130 CO 0.55 -0.84 1.10 -1.61 0.41 0.00 0.00 173.24 172.86 1bjj s GLU 131 N -1.69 1.50 -0.07 12.44 2.02 -0.86 -4.91 118.70 127.13 1bjj s GLU 131 Ca 0.55 1.16 -0.05 0.00 0.02 0.00 0.00 54.97 56.64 1bjj s GLU 131 Cb -0.46 -1.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 1bjj s GLU 131 CO 0.58 -2.17 0.16 -2.00 0.02 0.00 0.00 175.26 171.85 1bjj s GLU 132 N -4.82 3.45 0.00 1.61 2.56 -1.26 -5.02 118.70 115.21 1bjj s GLU 132 Ca 0.64 -0.20 0.18 0.00 0.00 0.00 0.00 54.97 55.58 1bjj s GLU 132 Cb -0.19 -3.15 1.06 0.00 2.00 0.00 0.00 34.13 33.85 1bjj s GLU 132 CO 0.57 0.73 1.46 0.00 -0.56 0.00 0.00 175.26 177.47