#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 0.39 -1.58 1.20 4.07 -1.00 0.18 115.31 118.57 1bjj h LEU 2 Ca 0.00 0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 1bjj h LEU 2 Cb 0.00 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 1bjj h LEU 2 CO 0.00 0.09 -0.18 -0.07 -1.08 0.00 0.00 178.44 177.19 1bjj h LEU 3 N 0.35 0.00 0.24 1.67 4.07 -1.98 0.21 115.31 119.88 1bjj h LEU 3 Ca 0.57 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 58.20 1bjj h LEU 3 Cb 1.54 0.00 0.03 0.00 1.08 0.00 0.00 40.66 43.31 1bjj h LEU 3 CO -0.25 0.18 -1.52 1.56 -1.08 0.00 0.00 178.44 177.33 1bjj h GLN 4 N 0.00 0.51 -0.69 1.13 4.20 -1.08 -2.78 115.11 116.40 1bjj h GLN 4 Ca -0.00 -0.87 0.00 0.00 0.06 0.00 0.00 58.65 57.84 1bjj h GLN 4 Cb 0.51 0.33 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 1bjj h GLN 4 CO 0.02 1.42 0.44 0.35 -0.67 0.00 0.00 178.83 180.40 1bjj h PHE 5 N 0.12 0.89 -0.52 2.96 3.57 -0.99 -1.51 116.94 121.46 1bjj h PHE 5 Ca -0.27 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.29 1bjj h PHE 5 Cb 2.15 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 40.54 1bjj h PHE 5 CO 0.13 0.57 0.25 -0.91 -2.23 0.00 0.00 178.31 176.12 1bjj h ASN 6 N 0.94 0.33 -0.38 0.41 -0.26 -0.62 -1.85 115.58 114.14 1bjj h ASN 6 Ca 0.25 0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 56.01 1bjj h ASN 6 Cb -0.08 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 1bjj h ASN 6 CO -0.05 0.23 0.19 0.50 -1.06 0.00 0.00 177.43 177.23 1bjj h LYS 7 N 0.47 0.59 -0.31 0.81 3.64 -1.04 -2.10 116.57 118.63 1bjj h LYS 7 Ca 0.24 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1bjj h LYS 7 Cb 0.18 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1bjj h LYS 7 CO -0.19 0.48 -0.12 0.52 -2.27 0.00 0.00 179.45 177.87 1bjj h MET 8 N 0.60 0.63 -0.22 1.90 2.86 -0.59 -1.28 114.93 118.83 1bjj h MET 8 Ca 0.15 -0.26 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1bjj h MET 8 Cb 0.09 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1bjj h MET 8 CO -0.02 0.84 0.04 0.82 1.06 0.00 0.00 176.91 179.66 1bjj h ILE 9 N 0.40 0.90 -0.77 -1.22 2.04 -0.87 0.47 117.51 118.46 1bjj h ILE 9 Ca 0.07 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1bjj h ILE 9 Cb 0.63 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1bjj h ILE 9 CO 0.04 0.02 0.44 0.50 0.00 0.00 0.00 178.15 179.15 1bjj h LYS 10 N 0.13 1.06 -0.69 2.37 1.63 -1.35 0.40 116.57 120.12 1bjj h LYS 10 Ca 0.10 -0.11 -0.08 0.00 -0.85 0.00 0.00 60.65 59.71 1bjj h LYS 10 Cb 0.10 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 1bjj h LYS 10 CO -0.13 0.77 0.13 0.93 -3.45 0.00 0.00 179.45 177.69 1bjj h GLU 12 N 1.06 1.12 0.20 1.90 4.39 -0.52 0.22 114.58 122.95 1bjj h GLU 12 Ca 0.27 -0.29 -0.30 0.00 0.34 0.00 0.00 59.36 59.38 1bjj h GLU 12 Cb 0.00 -0.14 0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1bjj h GLU 12 CO -0.05 1.02 -1.38 0.93 -1.16 0.00 0.00 179.01 178.36 1bjj h GLU 13 N 1.06 0.41 0.00 2.33 4.39 0.31 -3.39 114.58 119.69 1bjj h GLU 13 Ca 0.21 -0.71 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1bjj h GLU 13 Cb 0.43 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1bjj h GLU 13 CO 0.01 1.34 -1.16 0.25 -1.16 0.00 0.00 179.01 178.29 1bjj n THR 14 N -3.81 0.00 -0.39 1.13 -2.24 0.14 -4.72 114.28 104.38 1bjj n THR 14 Ca -0.19 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1bjj n THR 14 Cb 1.01 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 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 1.44 2.16 3.96 3.38 0.00 0.77 -5.00 105.19 111.90 1bjj n GLY 15 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.01 2.74 0.06 1.61 1.02 -1.26 -4.98 119.74 118.93 1bjj s LYS 16 Ca 0.00 -1.33 -0.10 0.00 0.02 0.00 0.00 55.97 54.56 1bjj s LYS 16 Cb 0.00 -2.62 -0.06 0.00 -0.52 0.00 0.00 37.83 34.63 1bjj s LYS 16 CO 0.00 -0.21 0.38 -0.80 -0.92 0.00 0.00 175.35 173.81 1bjj s ASN 17 N -4.25 6.64 0.30 2.83 0.02 -1.26 -3.23 114.94 115.99 1bjj s ASN 17 Ca 0.52 0.78 0.01 0.00 -1.02 0.00 0.00 52.86 53.14 1bjj s ASN 17 Cb -0.08 -2.17 0.54 0.00 0.02 0.00 0.00 41.25 39.56 1bjj s ASN 17 CO 0.31 0.20 1.90 0.00 0.02 0.00 0.00 177.10 179.52 1bjj h ALA 18 N 3.84 1.52 -3.17 0.60 0.00 -1.93 -3.24 119.26 116.88 1bjj h ALA 18 Ca -0.49 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 53.76 1bjj h ALA 18 Cb 1.20 -0.26 -0.22 0.00 0.00 0.00 0.00 17.79 18.51 1bjj h ALA 18 CO 0.66 0.32 -0.65 0.42 0.00 0.00 0.00 179.25 180.00 1bjj s ILE 19 N -5.91 4.06 -2.79 0.00 1.01 -1.26 -0.21 121.20 116.09 1bjj s ILE 19 Ca -0.12 -0.28 0.23 0.00 0.00 0.00 0.00 60.65 60.48 1bjj s ILE 19 Cb 0.20 -2.83 0.22 0.00 0.01 0.00 0.00 42.46 40.07 1bjj s ILE 19 CO 0.80 0.44 1.26 -0.81 0.00 0.00 0.00 174.94 176.63 1bjj n PRO 20 N 4.05 2.25 -0.21 2.79 -0.04 -1.26 -4.94 135.00 137.64 1bjj n PRO 20 Ca -0.17 -1.94 0.28 0.00 -0.04 0.00 0.00 63.50 61.63 1bjj n PRO 20 Cb 0.52 -1.45 0.69 0.00 -0.04 0.00 0.00 33.50 33.22 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 4.49 0.10 0.00 0.54 -1.00 -1.56 -3.03 116.94 116.48 1bjj h PHE 21 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1bjj h PHE 21 Cb 0.96 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.49 1bjj h PHE 21 CO 0.04 0.02 0.00 0.66 -1.61 0.00 0.00 178.31 177.42 1bjj n TYR 22 N -4.31 0.00 0.17 -0.55 4.01 0.70 -4.73 117.16 112.45 1bjj n TYR 22 Ca 0.20 -0.05 0.05 0.00 -0.16 0.00 0.00 57.90 57.95 1bjj n TYR 22 Cb 0.96 -0.00 0.12 0.00 -0.31 0.00 0.00 39.34 40.11 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 0.79 -1.57 -0.72 0.00 -1.16 -3.32 119.26 113.28 1bjj h ALA 23 Ca 0.00 -0.33 -0.44 0.00 0.00 0.00 0.00 54.91 54.13 1bjj h ALA 23 Cb 0.31 -0.06 -0.31 0.00 0.00 0.00 0.00 17.79 17.74 1bjj h ALA 23 CO 0.00 0.46 -0.87 1.19 0.00 0.00 0.00 179.25 180.03 1bjj n PHE 24 N -3.23 -1.60 -4.89 0.00 3.01 -1.25 -3.41 117.46 106.09 1bjj n PHE 24 Ca 0.02 -2.83 -0.28 0.00 1.01 0.00 0.00 57.45 55.38 1bjj n PHE 24 Cb 0.65 0.46 -0.15 0.00 -0.01 0.00 0.00 39.48 40.43 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 -0.18 1.98 0.00 1.38 6.14 -1.16 0.89 117.35 126.40 1bjj s TYR 25 Ca 0.33 -0.38 0.00 0.00 0.64 0.00 0.00 57.07 57.66 1bjj s TYR 25 Cb 0.12 -1.22 0.00 0.00 0.42 0.00 0.00 41.96 41.28 1bjj s TYR 25 CO -0.15 0.04 0.00 0.41 0.64 0.00 0.00 175.55 176.49 1bjj n GLY 26 N 2.13 1.30 0.09 8.97 0.00 -0.36 -2.20 105.19 115.13 1bjj n GLY 26 Ca -0.16 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.75 0.00 -2.52 0.00 4.01 -1.25 -3.22 117.16 111.43 1bjj n TYR 28 Ca -0.07 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.24 1bjj n TYR 28 Cb 0.74 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.73 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 3.39 -1.15 3.77 0.00 0.00 -1.22 -3.00 105.19 106.98 1bjj n GLY 30 Ca 0.12 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 1bjj n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bjj s TRP 31 N 0.00 2.63 0.00 1.61 0.51 -1.26 -4.78 118.94 117.64 1bjj s TRP 31 Ca 0.00 1.53 0.00 0.00 -2.12 0.00 0.00 56.10 55.51 1bjj s TRP 31 Cb 0.00 -3.35 0.00 0.00 -0.81 0.00 0.00 33.47 29.31 1bjj s TRP 31 CO 0.00 -1.72 0.00 0.41 -0.51 0.00 0.00 176.95 175.13 1bjj n GLY 32 N 0.27 -0.34 0.00 0.98 0.00 -1.26 -5.01 105.19 99.83 1bjj n GLY 32 Ca 0.12 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1bjj n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bjj n GLY 33 N 0.00 4.40 3.61 -0.02 0.00 -1.26 -4.86 105.19 107.06 1bjj n GLY 33 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 46.02 45.08 1bjj n GLY 33 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bjj s GLN 34 N -4.65 0.22 1.88 1.61 -2.07 -1.20 -5.01 119.66 110.44 1bjj s GLN 34 Ca 0.00 -0.09 0.00 0.00 -1.82 0.00 0.00 55.36 53.45 1bjj s GLN 34 Cb 0.00 0.10 0.00 0.00 -1.09 0.00 0.00 33.01 32.02 1bjj s GLN 34 CO 0.00 -0.10 0.00 0.41 -1.32 0.00 0.00 175.29 174.28 1bjj n GLY 35 N -0.13 0.02 3.37 2.60 0.00 -1.25 -4.79 105.19 105.01 1bjj n GLY 35 Ca 0.01 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 1.85 0.33 1.61 -0.14 -1.26 -1.72 119.74 120.41 1bjj s LYS 36 Ca 0.00 -1.09 -0.28 0.00 -1.36 0.00 0.00 55.97 53.24 1bjj s LYS 36 Cb 0.00 -2.02 -0.13 0.00 -1.68 0.00 0.00 37.83 34.00 1bjj s LYS 36 CO 0.00 0.52 1.26 -2.30 -0.76 0.00 0.00 175.35 174.06 1bjj n PRO 37 N 1.69 2.02 0.09 -1.68 -0.02 -1.26 -4.75 135.00 131.09 1bjj n PRO 37 Ca -0.17 0.71 -0.11 0.00 -2.02 0.00 0.00 63.50 61.91 1bjj n PRO 37 Cb 0.52 -2.26 -0.07 0.00 -0.02 0.00 0.00 33.50 31.67 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 2.54 0.19 0.00 -0.52 1.79 -1.96 -3.47 116.57 115.13 1bjj h LYS 38 Ca -0.45 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 57.76 1bjj h LYS 38 Cb 1.29 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 1bjj h LYS 38 CO 0.63 1.05 0.02 -0.40 -1.08 0.00 0.00 179.45 179.67 1bjj n ASP 39 N -3.57 -0.19 0.02 0.86 5.75 -1.26 -4.99 116.55 113.17 1bjj n ASP 39 Ca -0.05 -1.13 -0.12 0.00 -0.01 0.00 0.00 54.79 53.49 1bjj n ASP 39 Cb 0.90 0.31 -0.06 0.00 -1.03 0.00 0.00 41.12 41.24 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 0.16 -0.63 0.17 6.12 0.00 -1.93 0.53 103.07 107.50 1bjj h GLY 40 Ca -0.03 0.47 0.06 0.00 0.00 0.00 0.00 47.33 47.84 1bjj h GLY 40 CO 0.03 -0.23 -0.21 -0.84 0.00 0.00 0.00 176.54 175.29 1bjj h THR 41 N -0.49 0.44 -0.31 4.70 2.02 -1.89 -0.64 112.91 116.73 1bjj h THR 41 Ca 0.07 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1bjj h THR 41 Cb 0.61 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1bjj h THR 41 CO -0.35 0.00 0.21 -0.78 0.37 0.00 0.00 175.52 174.97 1bjj h ASP 42 N -0.21 0.26 -0.54 4.18 3.58 -1.80 -1.42 116.42 120.48 1bjj h ASP 42 Ca 0.14 -0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.50 1bjj h ASP 42 Cb 0.43 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 1bjj h ASP 42 CO -0.38 0.18 -0.03 -0.09 -2.88 0.00 0.00 179.24 176.04 1bjj h ARG 43 N 0.31 0.98 -0.85 0.28 2.43 0.62 -2.03 114.38 116.12 1bjj h ARG 43 Ca 0.13 -0.33 0.16 0.00 -0.81 0.00 0.00 59.98 59.13 1bjj h ARG 43 Cb 0.14 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 29.51 1bjj h ARG 43 CO -0.03 1.00 0.42 0.00 -1.51 0.00 0.00 179.97 179.85 1bjj h PHE 46 N 0.52 0.18 -0.76 0.00 3.57 -0.33 -2.35 116.94 117.76 1bjj h PHE 46 Ca 0.05 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1bjj h PHE 46 Cb 0.89 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 1bjj h PHE 46 CO 0.04 0.30 0.30 0.28 -2.23 0.00 0.00 178.31 177.00 1bjj h VAL 47 N 0.01 1.25 -0.86 1.41 2.07 -0.98 -2.14 116.25 117.01 1bjj h VAL 47 Ca 0.04 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.77 1bjj h VAL 47 Cb 0.20 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1bjj h VAL 47 CO -0.00 0.33 0.57 -0.74 0.02 0.00 0.00 177.57 177.75 1bjj h HIS 48 N 1.11 1.08 -0.40 1.57 -0.00 -1.29 0.22 115.15 117.44 1bjj h HIS 48 Ca 0.26 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.63 1bjj h HIS 48 Cb 0.21 -0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 27.23 1bjj h HIS 48 CO 0.02 0.68 0.19 -0.44 -0.00 0.00 0.00 177.93 178.37 1bjj h ASP 49 N 1.16 0.53 -0.20 3.26 5.19 -0.85 -0.03 116.42 125.47 1bjj h ASP 49 Ca 0.32 -0.14 0.02 0.00 -0.62 0.00 0.00 57.03 56.61 1bjj h ASP 49 Cb -0.12 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.23 1bjj h ASP 49 CO -0.07 0.52 0.07 0.00 -3.12 0.00 0.00 179.24 176.64 1bjj h TYR 52 N -0.32 0.09 -0.07 0.00 -1.99 -0.73 -1.78 116.97 112.17 1bjj h TYR 52 Ca 0.13 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.82 1bjj h TYR 52 Cb 0.54 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.24 1bjj h TYR 52 CO -0.47 0.20 -0.10 0.78 -0.00 0.00 0.00 178.16 178.56 1bjj h GLY 53 N 0.48 0.11 2.00 3.88 0.00 0.15 -1.53 103.07 108.16 1bjj h GLY 53 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1bjj h GLY 53 CO 0.01 0.06 0.00 3.21 0.00 0.00 0.00 176.54 179.82 1bjj h ARG 54 N 0.10 0.00 -2.16 4.80 3.08 -0.51 -3.28 114.38 116.40 1bjj h ARG 54 Ca 0.02 0.00 -0.79 0.00 0.07 0.00 0.00 59.98 59.29 1bjj h ARG 54 Cb 0.25 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.04 1bjj h ARG 54 CO 0.02 0.00 1.08 1.28 -1.07 0.00 0.00 179.97 181.28 1bjj n LEU 55 N -2.73 7.44 -0.34 3.04 7.99 -0.58 -4.83 117.00 126.99 1bjj n LEU 55 Ca 0.02 -5.14 0.33 0.00 -0.01 0.00 0.00 56.01 51.22 1bjj n LEU 55 Cb 0.33 -1.14 0.69 0.00 -0.11 0.00 0.00 43.42 43.19 1bjj n LEU 55 CO 0.26 1.93 1.30 -0.37 -1.51 0.00 0.00 177.39 179.01 1bjj h VAL 56 N 2.14 0.40 -0.40 4.08 -1.51 -1.74 -2.10 116.25 117.12 1bjj h VAL 56 Ca 0.55 -0.03 -0.22 0.00 -1.23 0.00 0.00 66.70 65.77 1bjj h VAL 56 Cb 0.22 0.30 -0.13 0.00 -2.13 0.00 0.00 31.29 29.55 1bjj h VAL 56 CO 1.28 0.02 -0.07 -0.46 -1.23 0.00 0.00 177.57 177.11 1bjj n ASN 59 N -4.30 2.65 -4.30 4.19 0.23 -1.26 -4.99 115.26 107.48 1bjj n ASN 59 Ca 0.27 -3.79 -0.28 0.00 -0.53 0.00 0.00 54.58 50.25 1bjj n ASN 59 Cb 1.20 -0.64 -0.14 0.00 -2.08 0.00 0.00 39.78 38.12 1bjj n ASN 59 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bjj n ASN 67 N 1.72 4.42 -0.28 0.00 5.15 -1.26 -4.77 115.26 120.24 1bjj n ASN 67 Ca -0.17 -2.92 0.26 0.00 -0.60 0.00 0.00 54.58 51.14 1bjj n ASN 67 Cb 0.53 -1.63 0.60 0.00 -0.53 0.00 0.00 39.78 38.74 1bjj n ASN 67 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1bjj h THR 68 N 4.28 0.54 0.07 -0.44 1.35 -1.94 0.22 112.91 116.99 1bjj h THR 68 Ca 0.49 -0.08 -0.30 0.00 -0.55 0.00 0.00 66.41 65.98 1bjj h THR 68 Cb 0.70 0.27 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 1bjj h THR 68 CO 1.71 0.04 -1.55 0.11 -0.25 0.00 0.00 175.52 175.58 1bjj h LYS 69 N 0.24 0.15 0.00 4.72 1.57 -1.97 -3.37 116.57 117.92 1bjj h LYS 69 Ca 0.53 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 1bjj h LYS 69 Cb 1.63 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 34.01 1bjj h LYS 69 CO -0.16 0.94 -1.76 -1.13 -0.57 0.00 0.00 179.45 176.77 1bjj n SER 70 N -3.33 1.72 -4.68 0.86 3.41 -1.09 -0.43 113.62 110.07 1bjj n SER 70 Ca -0.16 0.00 -0.49 0.00 -0.26 0.00 0.00 58.87 57.96 1bjj n SER 70 Cb 1.03 1.32 -0.05 0.00 -0.26 0.00 0.00 64.21 66.25 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 -2.20 3.16 -4.64 4.04 -0.08 0.05 -4.44 116.55 112.43 1bjj n ASP 71 Ca -0.10 1.02 -0.40 0.00 -1.51 0.00 0.00 54.79 53.79 1bjj n ASP 71 Cb 0.60 -1.35 -0.06 0.00 2.34 0.00 0.00 41.12 42.65 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 3.00 5.01 0.52 5.18 1.01 -1.26 0.18 121.20 134.85 1bjj s ILE 72 Ca 0.89 1.12 0.06 0.00 0.00 0.00 0.00 60.65 62.72 1bjj s ILE 72 Cb -0.74 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 37.84 1bjj s ILE 72 CO 0.49 0.07 0.39 -0.72 0.00 0.00 0.00 174.94 175.17 1bjj s TYR 73 N 2.21 1.78 -0.15 3.97 -0.85 -1.26 -4.93 117.35 118.13 1bjj s TYR 73 Ca 0.27 -0.79 -0.03 0.00 -0.52 0.00 0.00 57.07 55.99 1bjj s TYR 73 Cb -0.16 -1.94 -0.03 0.00 0.38 0.00 0.00 41.96 40.21 1bjj s TYR 73 CO 0.09 -0.41 -0.04 0.45 -1.52 0.00 0.00 175.55 174.12 1bjj s SER 74 N -4.25 4.79 0.31 -0.18 0.15 -1.26 -5.00 113.70 108.26 1bjj s SER 74 Ca 0.36 -0.12 -0.10 0.00 0.70 0.00 0.00 55.95 56.79 1bjj s SER 74 Cb -0.02 -1.74 0.01 0.00 -1.71 0.00 0.00 66.02 62.57 1bjj s SER 74 CO 0.22 0.19 0.55 -0.72 1.20 0.00 0.00 173.24 174.67 1bjj s TYR 75 N 0.25 0.55 -0.10 3.44 -0.85 -1.26 0.72 117.35 120.09 1bjj s TYR 75 Ca -0.03 -0.93 -0.30 0.00 -0.52 0.00 0.00 57.07 55.29 1bjj s TYR 75 Cb -0.14 0.24 0.12 0.00 0.38 0.00 0.00 41.96 42.56 1bjj s TYR 75 CO 0.03 -1.17 0.99 -1.54 -1.52 0.00 0.00 175.55 172.34 1bjj s SER 76 N -3.10 -0.32 -1.20 -0.18 1.04 0.17 -4.80 113.70 105.29 1bjj s SER 76 Ca 0.24 0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.68 1bjj s SER 76 Cb -0.02 0.31 0.17 0.00 0.10 0.00 0.00 66.02 66.58 1bjj s SER 76 CO 0.13 -0.44 1.43 -0.76 0.98 0.00 0.00 173.24 174.58 1bjj s LEU 77 N -1.88 5.06 -0.59 2.42 1.02 -1.26 0.11 118.68 123.57 1bjj s LEU 77 Ca 0.03 -2.99 -0.27 0.00 0.02 0.00 0.00 54.13 50.92 1bjj s LEU 77 Cb -0.01 -2.40 0.00 0.00 0.02 0.00 0.00 46.19 43.80 1bjj s LEU 77 CO -0.04 -0.75 1.58 -0.54 0.02 0.00 0.00 176.35 176.62 1bjj s LYS 78 N 1.56 3.05 -0.86 1.70 1.02 0.51 -3.79 119.74 122.94 1bjj s LYS 78 Ca 0.42 0.48 -0.04 0.00 0.02 0.00 0.00 55.97 56.85 1bjj s LYS 78 Cb -0.03 -4.23 -0.01 0.00 -0.52 0.00 0.00 37.83 33.04 1bjj s LYS 78 CO -0.00 -2.24 0.72 -1.91 -0.92 0.00 0.00 175.35 170.99 1bjj n GLU 79 N 8.94 -1.45 -1.98 1.68 4.07 -1.26 -2.13 120.64 128.51 1bjj n GLU 79 Ca 0.15 1.10 -0.11 0.00 -0.06 0.00 0.00 57.16 58.24 1bjj n GLU 79 Cb 0.50 -4.73 -0.02 0.00 -0.06 0.00 0.00 31.44 27.13 1bjj n GLU 79 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bjj n GLY 80 N -1.67 0.13 2.92 8.31 0.00 -1.25 -4.92 105.19 108.71 1bjj n GLY 80 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.27 1.50 -0.23 1.61 2.02 -0.90 -5.09 117.35 113.98 1bjj s TYR 81 Ca 0.00 -0.73 -0.29 0.00 -0.37 0.00 0.00 57.07 55.68 1bjj s TYR 81 Cb 0.00 -1.23 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 1bjj s TYR 81 CO 0.00 -0.50 1.67 0.42 -1.57 0.00 0.00 175.55 175.57 1bjj s ILE 82 N 1.60 3.62 -0.07 2.71 1.01 -1.26 -0.36 121.20 128.45 1bjj s ILE 82 Ca 0.03 0.69 0.05 0.00 0.00 0.00 0.00 60.65 61.42 1bjj s ILE 82 Cb -0.13 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 1bjj s ILE 82 CO -0.07 -0.30 -0.23 -0.89 0.00 0.00 0.00 174.94 173.45 1bjj s THR 83 N 5.52 1.90 0.10 2.92 2.01 0.12 -4.94 115.64 123.26 1bjj s THR 83 Ca 0.74 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 1bjj s THR 83 Cb -0.25 -1.63 -0.06 0.00 0.01 0.00 0.00 72.50 70.57 1bjj s THR 83 CO 0.30 0.53 1.00 0.00 -0.69 0.00 0.00 174.62 175.76 1bjj s GLY 85 N 0.22 1.75 -0.10 0.00 0.00 0.22 -4.92 107.32 104.49 1bjj s GLY 85 Ca 0.49 -1.28 -0.21 0.00 0.00 0.00 0.00 44.72 43.72 1bjj s GLY 85 CO 0.30 -0.65 0.58 1.25 0.00 0.00 0.00 173.10 174.59 1bjj s LYS 86 N -5.54 4.38 0.00 2.90 2.47 -1.26 -4.73 119.74 117.96 1bjj s LYS 86 Ca 0.69 0.65 0.00 0.00 -1.56 0.00 0.00 55.97 55.75 1bjj s LYS 86 Cb -0.06 -3.45 0.00 0.00 -1.46 0.00 0.00 37.83 32.86 1bjj s LYS 86 CO 0.49 0.10 0.00 0.41 0.16 0.00 0.00 175.35 176.51 1bjj n GLY 88 N 3.21 2.83 3.96 5.54 0.00 -1.26 -4.91 105.19 114.56 1bjj n GLY 88 Ca -0.04 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 2.11 5.26 0.29 2.61 -4.23 -1.26 -4.92 115.64 115.50 1bjj s THR 89 Ca 0.00 -0.94 0.04 0.00 -1.18 0.00 0.00 61.69 59.61 1bjj s THR 89 Cb 0.00 -3.84 0.28 0.00 1.34 0.00 0.00 72.50 70.29 1bjj s THR 89 CO 0.00 -0.29 1.75 -1.13 -0.54 0.00 0.00 174.62 174.41 1bjj h ASN 90 N 1.34 0.59 0.25 3.99 -0.73 -2.02 0.56 115.58 119.57 1bjj h ASN 90 Ca -0.51 0.11 -0.01 0.00 1.87 0.00 0.00 56.30 57.76 1bjj h ASN 90 Cb 1.22 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.84 1bjj h ASN 90 CO 0.62 0.18 -0.12 0.00 -0.37 0.00 0.00 177.43 177.74 1bjj h GLU 92 N -0.51 -0.18 -0.92 0.00 5.08 -1.67 0.37 114.58 116.75 1bjj h GLU 92 Ca -0.03 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1bjj h GLU 92 Cb 0.38 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1bjj h GLU 92 CO 0.06 -0.12 0.60 0.93 -1.00 0.00 0.00 179.01 179.48 1bjj h GLU 93 N -0.18 1.16 -0.09 2.33 5.08 -0.86 0.59 114.58 122.60 1bjj h GLU 93 Ca 0.09 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1bjj h GLU 93 Cb 0.31 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1bjj h GLU 93 CO -0.22 0.76 -0.07 1.96 -1.00 0.00 0.00 179.01 180.44 1bjj h GLN 94 N 1.19 0.21 -0.69 2.33 7.50 -0.11 -2.46 115.11 123.08 1bjj h GLN 94 Ca 0.36 -0.10 0.01 0.00 0.50 0.00 0.00 58.65 59.42 1bjj h GLN 94 Cb -0.05 -0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.45 1bjj h GLN 94 CO -0.10 0.61 0.45 0.82 -1.50 0.00 0.00 178.83 179.10 1bjj h ILE 95 N -0.19 1.17 -0.76 2.54 2.04 -0.07 -2.31 117.51 119.93 1bjj h ILE 95 Ca 0.02 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1bjj h ILE 95 Cb 0.56 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1bjj h ILE 95 CO 0.02 0.17 0.50 0.00 0.00 0.00 0.00 178.15 178.84 1bjj h GLU 97 N 1.01 0.81 0.09 0.00 4.39 -0.93 0.56 114.58 120.50 1bjj h GLU 97 Ca 0.29 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.89 1bjj h GLU 97 Cb -0.09 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.39 1bjj h GLU 97 CO -0.07 0.64 -0.14 0.00 -1.16 0.00 0.00 179.01 178.28 1bjj h ASP 99 N -0.28 0.28 0.11 0.00 3.32 -0.92 -1.69 116.42 117.24 1bjj h ASP 99 Ca 0.02 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1bjj h ASP 99 Cb 0.29 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1bjj h ASP 99 CO -0.07 0.21 -0.26 -0.09 -1.72 0.00 0.00 179.24 177.31 1bjj h ARG 100 N 0.41 -0.44 -0.74 3.56 2.43 0.52 -1.58 114.38 118.54 1bjj h ARG 100 Ca 0.18 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1bjj h ARG 100 Cb 0.10 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1bjj h ARG 100 CO -0.14 -0.29 0.46 0.28 -1.51 0.00 0.00 179.97 178.77 1bjj h VAL 101 N -0.46 1.20 -0.08 0.20 2.07 -0.90 -2.86 116.25 115.42 1bjj h VAL 101 Ca 0.03 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1bjj h VAL 101 Cb 0.49 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1bjj h VAL 101 CO -0.16 0.21 0.05 0.00 0.02 0.00 0.00 177.57 177.69 1bjj h ALA 102 N 1.25 0.10 -0.86 1.67 0.00 -1.12 -0.24 119.26 120.06 1bjj h ALA 102 Ca 0.27 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.27 1bjj h ALA 102 Cb -0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 1bjj h ALA 102 CO -0.05 -0.37 0.48 0.00 0.00 0.00 0.00 179.25 179.31 1bjj h ALA 103 N 0.98 1.28 -0.01 0.00 0.00 -1.16 -1.08 119.26 119.27 1bjj h ALA 103 Ca 0.03 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 1bjj h ALA 103 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1bjj h ALA 103 CO -0.01 0.03 -0.86 0.93 0.00 0.00 0.00 179.25 179.35 1bjj h GLU 104 N 0.75 0.26 -0.38 0.00 5.08 -1.28 -3.02 114.58 115.99 1bjj h GLU 104 Ca 0.44 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1bjj h GLU 104 Cb 0.52 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1bjj h GLU 104 CO -0.30 0.97 0.09 0.00 -1.00 0.00 0.00 179.01 178.77 1bjj h PHE 106 N 0.56 0.76 -0.18 0.00 0.04 -1.11 -2.30 116.94 114.70 1bjj h PHE 106 Ca 0.13 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1bjj h PHE 106 Cb 0.22 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1bjj h PHE 106 CO 0.01 0.70 0.11 -0.09 -0.60 0.00 0.00 178.31 178.43 1bjj h ARG 107 N 0.60 0.25 0.00 1.51 2.43 -1.20 -2.06 114.38 115.92 1bjj h ARG 107 Ca 0.14 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1bjj h ARG 107 Cb 0.32 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1bjj h ARG 107 CO 0.00 0.22 -0.01 0.00 -1.51 0.00 0.00 179.97 178.67 1bjj h ARG 108 N 0.21 0.00 -0.57 0.20 3.08 -1.04 -2.28 114.38 113.98 1bjj h ARG 108 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1bjj h ARG 108 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1bjj h ARG 108 CO -0.01 0.01 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1bjj n ASN 109 N -3.48 3.76 -0.23 7.04 3.02 -0.82 -4.57 115.26 119.99 1bjj n ASN 109 Ca -0.03 -2.13 0.07 0.00 -0.03 0.00 0.00 54.58 52.47 1bjj n ASN 109 Cb 0.10 -0.42 0.34 0.00 -0.61 0.00 0.00 39.78 39.18 1bjj n ASN 109 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1bjj h LEU 110 N 3.39 0.71 -2.08 3.41 5.85 -0.90 -1.95 115.31 123.74 1bjj h LEU 110 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1bjj h LEU 110 Cb 1.01 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 1bjj h LEU 110 CO 0.05 0.43 -0.07 -2.24 -0.34 0.00 0.00 178.44 176.28 1bjj h ASP 111 N 0.79 0.00 -0.36 1.25 3.04 -1.82 -2.15 116.42 117.17 1bjj h ASP 111 Ca 0.36 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.15 1bjj h ASP 111 Cb 0.37 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.66 1bjj h ASP 111 CO -0.14 0.07 0.00 0.35 -2.04 0.00 0.00 179.24 177.48 1bjj n THR 112 N -4.03 1.66 -1.92 1.15 -2.24 -0.75 -4.99 114.28 103.16 1bjj n THR 112 Ca -0.03 -1.38 -0.42 0.00 -2.27 0.00 0.00 64.05 59.95 1bjj n THR 112 Cb 0.15 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.87 2.69 -0.25 4.78 6.14 -0.81 -4.87 117.35 123.17 1bjj s TYR 113 Ca 0.35 0.44 -0.01 0.00 0.64 0.00 0.00 57.07 58.49 1bjj s TYR 113 Cb 0.24 -3.96 0.03 0.00 0.42 0.00 0.00 41.96 38.70 1bjj s TYR 113 CO 0.14 -3.72 -0.07 1.21 0.64 0.00 0.00 175.55 173.75 1bjj s ASN 114 N 1.86 4.30 0.61 4.32 3.04 -1.26 -4.96 114.94 122.84 1bjj s ASN 114 Ca 0.73 -0.96 0.35 0.00 0.04 0.00 0.00 52.86 53.02 1bjj s ASN 114 Cb -0.42 -1.64 1.98 0.00 -1.54 0.00 0.00 41.25 39.63 1bjj s ASN 114 CO 0.32 -0.14 2.26 0.78 -3.04 0.00 0.00 177.10 177.28 1bjj h ASN 115 N 7.97 0.00 0.70 -4.21 -0.26 -1.96 0.53 115.58 118.35 1bjj h ASN 115 Ca -0.31 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.43 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 0.56 0.02 0.00 0.61 -1.06 0.00 0.00 177.43 177.56 1bjj n GLY 116 N -1.04 -1.22 0.01 2.83 0.00 -1.26 -2.12 105.19 102.38 1bjj n GLY 116 Ca -0.03 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.04 0.09 -2.15 1.61 4.01 0.18 -4.76 117.16 114.10 1bjj n TYR 117 Ca 0.03 0.03 -0.41 0.00 -0.16 0.00 0.00 57.90 57.38 1bjj n TYR 117 Cb 0.22 -0.24 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 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 -3.08 4.37 -1.27 -0.72 1.75 -0.90 -1.22 119.30 118.22 1bjj s MET 118 Ca 0.07 2.16 -0.06 0.00 -1.25 0.00 0.00 55.69 56.60 1bjj s MET 118 Cb 0.16 -3.11 0.01 0.00 2.84 0.00 0.00 34.83 34.72 1bjj s MET 118 CO 0.80 -0.20 0.86 1.19 -0.65 0.00 0.00 175.02 177.01 1bjj n PHE 119 N 1.47 -2.25 -2.61 4.11 3.72 0.26 -4.94 117.46 117.22 1bjj n PHE 119 Ca 0.02 0.74 -0.42 0.00 -0.05 0.00 0.00 57.45 57.73 1bjj n PHE 119 Cb 0.42 -4.41 -0.03 0.00 -0.94 0.00 0.00 39.48 34.52 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 -3.22 3.45 0.18 1.38 5.04 -1.01 -4.98 117.35 118.20 1bjj s TYR 120 Ca 0.43 1.49 -0.32 0.00 -2.44 0.00 0.00 57.07 56.22 1bjj s TYR 120 Cb -0.19 -3.26 -0.11 0.00 0.35 0.00 0.00 41.96 38.75 1bjj s TYR 120 CO 0.53 -0.57 1.72 1.03 -1.34 0.00 0.00 175.55 176.92 1bjj s ARG 121 N 1.80 4.14 0.56 4.97 0.52 -1.26 -4.79 118.95 124.90 1bjj s ARG 121 Ca 0.52 2.57 0.36 0.00 -0.52 0.00 0.00 55.73 58.66 1bjj s ARG 121 Cb -0.21 -3.20 1.65 0.00 0.52 0.00 0.00 34.95 33.71 1bjj s ARG 121 CO 0.22 -0.75 2.07 -0.44 0.02 0.00 0.00 175.30 176.42 1bjj h ASP 122 N 7.19 0.00 0.62 0.23 3.32 -1.93 -2.10 116.42 123.75 1bjj h ASP 122 Ca -0.44 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 1bjj h ASP 122 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1bjj h ASP 122 CO 0.95 0.00 -0.27 0.77 -1.72 0.00 0.00 179.24 178.97 1bjj h SER 124 N 0.00 0.00 -0.07 6.45 4.64 -2.00 -1.90 113.55 120.67 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 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1bjj h SER 124 CO 0.00 0.27 0.00 0.29 -0.87 0.00 0.00 176.83 176.52 1bjj n LYS 125 N -3.65 1.26 -1.36 4.77 5.02 -0.79 -3.85 118.16 119.57 1bjj n LYS 125 Ca -0.01 -0.39 -0.35 0.00 -2.02 0.00 0.00 58.31 55.54 1bjj n LYS 125 Cb 0.39 -1.29 0.07 0.00 -0.02 0.00 0.00 35.03 34.19 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 -4.75 4.83 -0.12 0.00 2.01 -1.25 -3.89 115.64 112.47 1bjj s THR 127 Ca 0.63 -0.40 -0.33 0.00 0.31 0.00 0.00 61.69 61.90 1bjj s THR 127 Cb 0.49 -4.32 0.13 0.00 0.01 0.00 0.00 72.50 68.82 1bjj s THR 127 CO -0.04 -0.82 1.20 -1.83 -0.69 0.00 0.00 174.62 172.44 1bjj s GLU 128 N 2.75 0.39 -0.41 4.92 -1.05 -1.26 -5.03 118.70 119.01 1bjj s GLU 128 Ca 0.17 -0.17 -0.28 0.00 -0.15 0.00 0.00 54.97 54.53 1bjj s GLU 128 Cb -0.18 0.16 -0.08 0.00 -0.44 0.00 0.00 34.13 33.59 1bjj s GLU 128 CO 0.13 -0.17 2.34 2.41 0.95 0.00 0.00 175.26 180.91 1bjj n THR 129 N -0.22 0.11 -1.64 1.83 -1.04 -1.26 -4.04 114.28 108.03 1bjj n THR 129 Ca -0.03 -0.55 -0.47 0.00 -2.04 0.00 0.00 64.05 60.97 1bjj n THR 129 Cb 0.60 -2.41 -0.03 0.00 -1.82 0.00 0.00 70.33 66.67 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 13.22 2.31 -4.63 8.00 7.64 -1.26 -4.59 113.62 134.32 1bjj n SER 130 Ca 0.37 1.13 -0.30 0.00 1.01 0.00 0.00 58.87 61.08 1bjj n SER 130 Cb 0.43 -1.35 0.18 0.00 -1.01 0.00 0.00 64.21 62.47 1bjj n SER 130 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1bjj s GLU 131 N -0.19 0.53 0.09 1.43 2.02 -0.70 -4.85 118.70 117.03 1bjj s GLU 131 Ca 0.72 1.21 0.04 0.00 0.02 0.00 0.00 54.97 56.96 1bjj s GLU 131 Cb -0.73 -1.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 1bjj s GLU 131 CO 0.49 -2.86 0.06 -1.21 0.02 0.00 0.00 175.26 171.76 1bjj s GLU 132 N -4.65 2.77 0.00 1.61 0.41 -1.26 -4.99 118.70 112.59 1bjj s GLU 132 Ca 0.66 -0.76 0.32 0.00 -0.41 0.00 0.00 54.97 54.78 1bjj s GLU 132 Cb -0.22 -2.66 1.85 0.00 -1.78 0.00 0.00 34.13 31.32 1bjj s GLU 132 CO 0.60 0.55 2.20 0.00 -0.49 0.00 0.00 175.26 178.11