#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wks s LYS 2 N 0.00 4.21 -0.17 2.12 1.02 -1.26 -1.35 119.74 124.31 2wks s LYS 2 Ca 0.00 0.36 -0.02 0.00 0.02 0.00 0.00 55.97 56.33 2wks s LYS 2 Cb 0.00 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 2wks s LYS 2 CO 0.00 -0.07 -0.08 0.42 -0.92 0.00 0.00 175.35 174.71 2wks s ILE 3 N 1.37 3.37 -0.22 2.17 -1.09 -0.77 -0.76 121.20 125.28 2wks s ILE 3 Ca 0.23 -0.53 -0.18 0.00 -2.23 0.00 0.00 60.65 57.95 2wks s ILE 3 Cb -0.15 -2.47 -0.03 0.00 -1.58 0.00 0.00 42.46 38.22 2wks s ILE 3 CO 0.09 0.48 0.49 -0.22 -1.23 0.00 0.00 174.94 174.56 2wks s LEU 4 N 0.71 4.12 -0.30 2.97 2.96 -0.80 -1.48 118.68 126.84 2wks s LEU 4 Ca -0.04 0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 54.38 2wks s LEU 4 Cb -0.15 -2.65 0.00 0.00 0.50 0.00 0.00 46.19 43.89 2wks s LEU 4 CO 0.02 -0.19 0.11 -0.69 -1.32 0.00 0.00 176.35 174.28 2wks s VAL 5 N 1.78 4.22 -0.20 1.68 1.01 0.08 -0.89 120.40 128.09 2wks s VAL 5 Ca 0.22 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 2wks s VAL 5 Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2wks s VAL 5 CO 0.09 0.06 0.00 -0.63 0.00 0.00 0.00 175.10 174.62 2wks s ILE 6 N 1.54 4.01 -0.20 2.22 1.01 -0.17 -0.36 121.20 129.25 2wks s ILE 6 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 2wks s ILE 6 Cb -0.17 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 2wks s ILE 6 CO 0.04 0.43 -0.10 -1.10 0.00 0.00 0.00 174.94 174.21 2wks s GLN 7 N 0.96 3.27 0.00 2.79 -1.52 0.14 -1.24 119.66 124.06 2wks s GLN 7 Ca 0.02 -0.69 0.00 0.00 -1.95 0.00 0.00 55.36 52.74 2wks s GLN 7 Cb -0.14 -2.85 0.00 0.00 -0.22 0.00 0.00 33.01 29.80 2wks s GLN 7 CO 0.02 -0.16 0.00 0.41 -0.25 0.00 0.00 175.29 175.31 2wks n GLY 8 N 4.61 -0.90 3.70 3.09 0.00 0.50 -1.56 105.19 114.63 2wks n GLY 8 Ca -0.19 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2wks n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wks n PRO 9 N -0.78 1.91 0.00 1.61 -0.04 -0.94 -2.87 135.00 133.89 2wks n PRO 9 Ca 0.00 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 2wks n PRO 9 Cb 0.00 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 2wks n PRO 9 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wks n ASN 10 N 0.11 0.00 0.24 3.54 3.02 -1.26 -4.63 115.26 116.27 2wks n ASN 10 Ca 0.07 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.72 2wks n ASN 10 Cb 0.40 -0.33 0.59 0.00 -0.61 0.00 0.00 39.78 39.84 2wks n ASN 10 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2wks h LEU 11 N 0.00 0.00 -1.27 3.41 3.38 -1.88 -1.12 115.31 117.82 2wks h LEU 11 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wks h LEU 11 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wks h LEU 11 CO 0.00 0.19 0.00 -0.55 0.09 0.00 0.00 178.44 178.17 2wks h ASN 12 N 0.00 0.00 0.01 -0.43 -1.07 -1.88 -2.12 115.58 110.10 2wks h ASN 12 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2wks h ASN 12 Cb 0.50 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.75 2wks h ASN 12 CO 0.02 0.00 -0.01 0.23 0.07 0.00 0.00 177.43 177.74 2wks n MET 13 N -2.41 1.46 -1.64 4.14 2.81 -0.42 -4.78 117.12 116.28 2wks n MET 13 Ca 0.00 -0.72 -0.43 0.00 -1.81 0.00 0.00 57.70 54.74 2wks n MET 13 Cb 0.15 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.17 2wks n MET 13 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2wks n LEU 14 N -0.14 2.79 0.00 4.03 4.77 -0.80 -3.56 117.00 124.10 2wks n LEU 14 Ca 0.20 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 2wks n LEU 14 Cb 0.30 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 2wks n LEU 14 CO 0.17 -1.04 0.00 0.61 -1.33 0.00 0.00 177.39 175.80 2wks n GLY 15 N 1.02 0.69 0.41 -0.72 0.00 -1.23 -4.35 105.19 101.01 2wks n GLY 15 Ca 0.08 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.30 2wks n GLY 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2wks h HIS 16 N 0.00 0.56 -0.02 1.61 3.86 -1.84 0.40 115.15 119.72 2wks h HIS 16 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2wks h HIS 16 Cb 0.00 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.30 2wks h HIS 16 CO 0.00 0.11 -0.25 0.54 0.86 0.00 0.00 177.93 179.19 2wks n ARG 17 N -4.54 1.69 -4.42 2.45 5.12 -1.26 -5.00 116.66 110.70 2wks n ARG 17 Ca 0.22 -1.38 -0.40 0.00 -1.93 0.00 0.00 57.85 54.36 2wks n ARG 17 Cb 0.78 -1.47 -0.06 0.00 -1.16 0.00 0.00 32.46 30.55 2wks n ARG 17 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2wks n ASP 18 N 0.55 -2.04 -1.89 0.55 3.85 0.13 -4.85 116.55 112.84 2wks n ASP 18 Ca 0.12 -1.18 -0.02 0.00 -0.71 0.00 0.00 54.79 53.00 2wks n ASP 18 Cb 0.52 -1.98 -0.03 0.00 -1.35 0.00 0.00 41.12 38.28 2wks n ASP 18 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 2wks n PRO 19 N -4.20 0.68 0.00 0.11 -0.02 -1.26 -4.81 135.00 125.50 2wks n PRO 19 Ca 0.07 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2wks n PRO 19 Cb 0.49 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 2wks n PRO 19 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2wks n ARG 20 N 2.05 0.00 -0.19 -0.52 3.00 -1.26 -4.35 116.66 115.39 2wks n ARG 20 Ca 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.85 2wks n ARG 20 Cb 0.33 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.81 2wks n ARG 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2wks h LEU 21 N 0.00 0.66 0.00 6.15 4.07 -2.04 -3.23 115.31 120.92 2wks h LEU 21 Ca 0.00 -0.06 -0.14 0.00 0.08 0.00 0.00 57.88 57.77 2wks h LEU 21 Cb 0.00 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 2wks h LEU 21 CO 0.00 0.52 -1.80 -1.22 -1.08 0.00 0.00 178.44 174.86 2wks n TYR 22 N -4.66 0.40 0.00 1.13 4.02 -1.26 -4.92 117.16 111.87 2wks n TYR 22 Ca 0.03 0.13 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 2wks n TYR 22 Cb 0.05 -0.84 0.00 0.00 -0.02 0.00 0.00 39.34 38.53 2wks n TYR 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wks n GLY 23 N 1.40 -0.13 0.00 2.72 0.00 -1.22 -4.82 105.19 103.15 2wks n GLY 23 Ca -0.12 -2.12 0.05 0.00 0.00 0.00 0.00 46.02 43.83 2wks n GLY 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wks n MET 24 N 0.00 1.78 -2.91 1.61 2.81 -1.26 -3.93 117.12 115.22 2wks n MET 24 Ca 0.00 -0.05 -0.40 0.00 -1.81 0.00 0.00 57.70 55.43 2wks n MET 24 Cb 0.00 -1.13 -0.05 0.00 -0.71 0.00 0.00 33.22 31.33 2wks n MET 24 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2wks s VAL 25 N -2.38 4.65 0.71 2.03 1.01 -1.26 -4.60 120.40 120.55 2wks s VAL 25 Ca -0.01 1.76 -0.09 0.00 0.00 0.00 0.00 61.98 63.64 2wks s VAL 25 Cb 0.07 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.32 2wks s VAL 25 CO 0.42 0.36 1.06 0.42 0.00 0.00 0.00 175.10 177.36 2wks s THR 26 N -0.09 2.85 0.22 3.92 -4.23 -1.26 -3.48 115.64 113.55 2wks s THR 26 Ca 0.41 0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.93 2wks s THR 26 Cb -0.21 -3.24 0.17 0.00 1.34 0.00 0.00 72.50 70.55 2wks s THR 26 CO 0.25 -0.29 1.79 0.25 -0.54 0.00 0.00 174.62 176.08 2wks h LEU 27 N -0.66 1.11 -0.64 4.79 5.85 -1.79 -0.60 115.31 123.37 2wks h LEU 27 Ca -0.45 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 2wks h LEU 27 Cb 1.29 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 2wks h LEU 27 CO 0.63 0.97 0.39 0.44 -0.34 0.00 0.00 178.44 180.53 2wks h ASP 28 N 1.18 0.76 -0.65 1.25 3.32 -1.94 -1.26 116.42 119.08 2wks h ASP 28 Ca 0.27 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 2wks h ASP 28 Cb 0.20 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2wks h ASP 28 CO -0.02 0.59 0.35 1.56 -1.72 0.00 0.00 179.24 180.00 2wks h GLN 29 N 0.86 0.94 -0.44 3.56 4.20 -1.79 0.19 115.11 122.63 2wks h GLN 29 Ca 0.23 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2wks h GLN 29 Cb -0.04 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 2wks h GLN 29 CO -0.04 0.71 0.21 0.82 -0.67 0.00 0.00 178.83 179.85 2wks h ILE 30 N 0.94 1.19 -0.23 2.54 2.04 -0.50 -0.97 117.51 122.51 2wks h ILE 30 Ca 0.24 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 2wks h ILE 30 Cb 0.06 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2wks h ILE 30 CO -0.04 0.21 -0.15 0.45 0.00 0.00 0.00 178.15 178.62 2wks h HIS 31 N 0.58 0.41 -0.22 1.37 3.86 -0.22 -1.52 115.15 119.41 2wks h HIS 31 Ca 0.15 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 2wks h HIS 31 Cb 0.13 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 2wks h HIS 31 CO -0.01 0.53 -0.05 0.93 0.86 0.00 0.00 177.93 180.18 2wks h GLU 32 N 0.36 0.42 -0.96 2.45 5.08 -0.37 -2.15 114.58 119.39 2wks h GLU 32 Ca 0.07 -0.16 0.20 0.00 -1.00 0.00 0.00 59.36 58.47 2wks h GLU 32 Cb 0.48 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 2wks h GLU 32 CO 0.03 0.66 0.62 0.82 -1.00 0.00 0.00 179.01 180.14 2wks h ILE 33 N 0.14 0.68 -0.09 3.13 2.04 -0.83 0.47 117.51 123.05 2wks h ILE 33 Ca 0.05 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2wks h ILE 33 Cb 0.51 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2wks h ILE 33 CO 0.02 0.10 -0.02 0.24 0.00 0.00 0.00 178.15 178.50 2wks h MET 34 N 0.56 0.17 -0.20 2.37 2.86 -0.96 -1.82 114.93 117.92 2wks h MET 34 Ca 0.53 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 58.14 2wks h MET 34 Cb 1.09 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 2wks h MET 34 CO -0.27 0.48 -0.05 1.96 1.06 0.00 0.00 176.91 180.09 2wks h GLN 35 N -0.15 -0.00 -0.42 1.72 1.08 -0.60 -1.48 115.11 115.26 2wks h GLN 35 Ca 0.02 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.31 2wks h GLN 35 Cb 0.41 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.76 2wks h GLN 35 CO 0.01 -0.00 -0.19 1.15 -0.95 0.00 0.00 178.83 178.85 2wks h THR 36 N -0.00 0.43 -0.77 -0.54 2.02 -0.95 0.13 112.91 113.23 2wks h THR 36 Ca 0.10 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.32 2wks h THR 36 Cb 0.15 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 2wks h THR 36 CO -0.21 0.00 0.51 0.15 0.37 0.00 0.00 175.52 176.34 2wks h PHE 37 N -0.11 0.89 -0.39 3.16 3.57 -0.75 0.74 116.94 124.05 2wks h PHE 37 Ca 0.20 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 2wks h PHE 37 Cb 0.42 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2wks h PHE 37 CO -0.44 0.51 -0.08 0.28 -2.23 0.00 0.00 178.31 176.36 2wks h VAL 38 N 0.92 1.27 0.31 1.41 2.07 0.19 -2.96 116.25 119.46 2wks h VAL 38 Ca 0.31 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2wks h VAL 38 Cb 0.09 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2wks h VAL 38 CO -0.09 0.38 -0.15 0.11 0.02 0.00 0.00 177.57 177.84 2wks h LYS 39 N 0.55 -0.40 0.00 1.57 1.57 -0.58 -1.63 116.57 117.64 2wks h LYS 39 Ca 0.10 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2wks h LYS 39 Cb 0.59 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2wks h LYS 39 CO 0.03 -0.07 0.00 1.04 -0.57 0.00 0.00 179.45 179.88 2wks n GLN 40 N -5.09 0.00 0.00 3.15 1.13 0.22 0.34 117.38 117.13 2wks n GLN 40 Ca -0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 2wks n GLN 40 Cb 0.27 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.17 2wks n GLN 40 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wks n GLY 41 N -0.86 0.14 2.46 1.08 0.00 -1.12 -5.00 105.19 101.89 2wks n GLY 41 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2wks n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wks n ASN 42 N -0.13 -5.39 -4.76 1.61 3.02 0.15 -4.93 115.26 104.83 2wks n ASN 42 Ca 0.00 0.26 -0.38 0.00 -0.03 0.00 0.00 54.58 54.43 2wks n ASN 42 Cb 0.10 -4.64 0.01 0.00 -0.61 0.00 0.00 39.78 34.63 2wks n ASN 42 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wks s LEU 43 N -5.26 3.99 -1.24 3.41 1.43 -0.66 -4.91 118.68 115.45 2wks s LEU 43 Ca 0.00 2.52 -0.07 0.00 -1.03 0.00 0.00 54.13 55.55 2wks s LEU 43 Cb 0.00 -4.19 0.19 0.00 0.03 0.00 0.00 46.19 42.22 2wks s LEU 43 CO 0.00 -1.12 1.94 -0.67 0.23 0.00 0.00 176.35 176.73 2wks n ASP 44 N -0.56 6.26 -3.76 2.29 2.03 -1.26 -4.80 116.55 116.74 2wks n ASP 44 Ca 0.08 -3.21 -0.19 0.00 0.52 0.00 0.00 54.79 51.99 2wks n ASP 44 Cb 0.46 -1.39 -0.17 0.00 -0.72 0.00 0.00 41.12 39.30 2wks n ASP 44 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2wks s VAL 45 N -0.92 0.09 -0.23 5.18 1.01 -1.26 -3.77 120.40 120.51 2wks s VAL 45 Ca 0.42 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 2wks s VAL 45 Cb 0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 2wks s VAL 45 CO -0.01 0.17 0.10 -1.61 0.00 0.00 0.00 175.10 173.75 2wks s GLU 46 N 1.54 3.90 -0.02 2.72 2.02 -0.46 -4.99 118.70 123.41 2wks s GLU 46 Ca -0.03 -0.36 -0.16 0.00 0.02 0.00 0.00 54.97 54.44 2wks s GLU 46 Cb -0.13 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 2wks s GLU 46 CO -0.03 0.04 0.43 -0.51 0.02 0.00 0.00 175.26 175.21 2wks s LEU 47 N 1.04 4.43 -0.15 1.80 1.43 -1.26 -1.85 118.68 124.13 2wks s LEU 47 Ca 0.05 0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 54.08 2wks s LEU 47 Cb -0.14 -2.63 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 2wks s LEU 47 CO 0.04 0.25 -0.08 -0.70 0.23 0.00 0.00 176.35 176.09 2wks s GLU 48 N -0.70 3.52 -0.08 1.70 2.12 -0.55 -4.96 118.70 119.76 2wks s GLU 48 Ca 0.24 -0.60 -0.03 0.00 0.36 0.00 0.00 54.97 54.94 2wks s GLU 48 Cb -0.17 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 2wks s GLU 48 CO 0.13 0.20 0.06 -0.06 -0.54 0.00 0.00 175.26 175.05 2wks s PHE 49 N 0.43 3.31 -0.10 5.30 0.08 -1.26 -0.74 117.98 125.00 2wks s PHE 49 Ca -0.07 0.29 -0.05 0.00 0.12 0.00 0.00 56.93 57.23 2wks s PHE 49 Cb -0.15 -1.82 0.05 0.00 -0.57 0.00 0.00 43.02 40.53 2wks s PHE 49 CO 0.04 0.56 0.23 0.12 -0.10 0.00 0.00 175.22 176.07 2wks s PHE 50 N -0.99 -0.32 -0.03 0.36 5.36 0.52 -4.95 117.98 117.93 2wks s PHE 50 Ca 0.16 0.78 0.06 0.00 -0.96 0.00 0.00 56.93 56.97 2wks s PHE 50 Cb -0.12 0.01 -0.01 0.00 -0.34 0.00 0.00 43.02 42.56 2wks s PHE 50 CO 0.05 -0.25 -0.21 -1.14 -1.46 0.00 0.00 175.22 172.21 2wks s GLN 51 N 1.48 1.89 0.11 10.12 -0.44 -1.26 0.25 119.66 131.81 2wks s GLN 51 Ca -0.07 -0.77 -0.17 0.00 -2.50 0.00 0.00 55.36 51.85 2wks s GLN 51 Cb -0.11 -1.75 0.04 0.00 -1.64 0.00 0.00 33.01 29.55 2wks s GLN 51 CO -0.08 0.41 0.41 -0.08 0.50 0.00 0.00 175.29 176.46 2wks s THR 52 N -0.36 0.06 -2.18 -0.34 -1.32 -0.60 -4.97 115.64 105.93 2wks s THR 52 Ca 0.04 -0.53 0.18 0.00 -1.21 0.00 0.00 61.69 60.17 2wks s THR 52 Cb -0.10 -1.13 0.18 0.00 -1.51 0.00 0.00 72.50 69.94 2wks s THR 52 CO 0.00 -0.29 1.10 0.59 -2.21 0.00 0.00 174.62 173.81 2wks n ASN 53 N -0.12 2.59 -4.58 8.08 3.02 -1.26 -2.22 115.26 120.77 2wks n ASN 53 Ca -0.16 -1.77 -0.36 0.00 -0.03 0.00 0.00 54.58 52.25 2wks n ASN 53 Cb 0.63 -0.03 -0.11 0.00 -0.61 0.00 0.00 39.78 39.66 2wks n ASN 53 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wks s PHE 54 N -1.46 3.21 0.24 3.10 0.40 -1.26 -4.75 117.98 117.47 2wks s PHE 54 Ca 0.23 -0.01 -0.05 0.00 -0.60 0.00 0.00 56.93 56.50 2wks s PHE 54 Cb 0.15 -2.24 0.45 0.00 0.51 0.00 0.00 43.02 41.89 2wks s PHE 54 CO 0.23 -0.08 1.71 1.49 0.70 0.00 0.00 175.22 179.27 2wks h GLU 55 N 7.71 0.34 -0.25 0.44 4.81 -2.01 -2.11 114.58 123.52 2wks h GLU 55 Ca -0.37 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.78 2wks h GLU 55 Cb 1.18 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2wks h GLU 55 CO 0.62 0.23 -0.09 0.78 -0.73 0.00 0.00 179.01 179.82 2wks h GLY 56 N 0.35 0.44 1.12 1.92 0.00 -1.99 -2.12 103.07 102.78 2wks h GLY 56 Ca 0.41 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 2wks h GLY 56 CO -0.45 0.26 -0.27 0.83 0.00 0.00 0.00 176.54 176.91 2wks h GLU 57 N 0.38 0.99 -0.44 4.80 5.08 -1.81 0.11 114.58 123.69 2wks h GLU 57 Ca 0.08 -0.46 0.05 0.00 -1.00 0.00 0.00 59.36 58.03 2wks h GLU 57 Cb 0.40 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2wks h GLU 57 CO 0.02 1.13 0.18 0.82 -1.00 0.00 0.00 179.01 180.16 2wks h ILE 58 N 0.83 0.90 -0.16 3.13 2.04 -0.96 -0.92 117.51 122.37 2wks h ILE 58 Ca 0.09 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 2wks h ILE 58 Cb 0.86 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2wks h ILE 58 CO 0.08 0.07 0.05 0.40 0.00 0.00 0.00 178.15 178.74 2wks h ILE 59 N 0.36 1.19 -0.48 -0.67 2.04 -1.29 -1.29 117.51 117.38 2wks h ILE 59 Ca 0.20 -0.60 0.10 0.00 1.00 0.00 0.00 64.86 65.56 2wks h ILE 59 Cb 0.17 1.28 -0.09 0.00 -0.74 0.00 0.00 36.82 37.43 2wks h ILE 59 CO -0.18 0.18 -0.16 0.44 0.00 0.00 0.00 178.15 178.43 2wks h ASP 60 N 0.08 -0.56 -0.31 1.72 5.19 -0.76 -0.57 116.42 121.21 2wks h ASP 60 Ca 0.05 0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.57 2wks h ASP 60 Cb 0.24 0.34 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 2wks h ASP 60 CO -0.00 -0.19 0.02 0.50 -3.12 0.00 0.00 179.24 176.44 2wks h LYS 61 N -0.05 0.53 -0.81 3.56 1.63 -0.93 0.11 116.57 120.61 2wks h LYS 61 Ca 0.23 -0.16 0.09 0.00 -0.85 0.00 0.00 60.65 59.96 2wks h LYS 61 Cb 0.40 -0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 31.91 2wks h LYS 61 CO -0.52 0.66 0.46 0.82 -3.45 0.00 0.00 179.45 177.43 2wks h ILE 62 N 0.34 0.93 -0.44 2.00 2.04 -0.79 -1.72 117.51 119.86 2wks h ILE 62 Ca 0.09 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 2wks h ILE 62 Cb 0.41 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 2wks h ILE 62 CO 0.01 0.14 0.02 1.56 0.00 0.00 0.00 178.15 179.89 2wks h GLN 63 N 0.79 0.76 0.00 2.37 4.20 -0.30 -2.72 115.11 120.21 2wks h GLN 63 Ca 0.38 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2wks h GLN 63 Cb 0.33 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2wks h GLN 63 CO -0.23 0.82 0.00 0.93 -0.67 0.00 0.00 178.83 179.67 2wks h GLU 64 N 0.61 0.00 0.00 1.46 5.08 -0.10 -0.94 114.58 120.69 2wks h GLU 64 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2wks h GLU 64 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2wks h GLU 64 CO 0.02 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.69 2wks h SER 65 N 0.00 0.00 0.60 1.42 4.64 -1.01 -3.36 113.55 115.85 2wks h SER 65 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2wks h SER 65 Cb 0.26 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2wks h SER 65 CO 0.00 0.00 -0.29 0.58 -0.87 0.00 0.00 176.83 176.25 2wks h VAL 66 N 0.00 0.00 0.00 0.95 2.07 -1.23 -2.94 116.25 115.09 2wks h VAL 66 Ca 0.00 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2wks h VAL 66 Cb 0.71 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2wks h VAL 66 CO 0.00 0.00 -0.00 1.23 0.02 0.00 0.00 177.57 178.82 2wks h GLY 67 N -1.00 0.00 -0.66 2.17 0.00 -1.75 -3.46 103.07 98.37 2wks h GLY 67 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.99 2wks h GLY 67 CO 0.13 0.00 0.14 -1.14 0.00 0.00 0.00 176.54 175.67 2wks n SER 68 N -3.50 0.48 -1.96 0.19 3.41 -1.11 -4.95 113.62 106.18 2wks n SER 68 Ca -0.03 -1.50 -0.20 0.00 -0.26 0.00 0.00 58.87 56.88 2wks n SER 68 Cb 0.08 -0.46 0.06 0.00 -0.26 0.00 0.00 64.21 63.63 2wks n SER 68 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2wks n ASP 69 N -3.17 6.17 -4.67 4.04 5.75 -1.26 -4.88 116.55 118.53 2wks n ASP 69 Ca 0.10 -3.20 -0.39 0.00 -0.01 0.00 0.00 54.79 51.29 2wks n ASP 69 Cb 0.34 -0.98 -0.07 0.00 -1.03 0.00 0.00 41.12 39.38 2wks n ASP 69 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2wks s TYR 70 N -2.27 3.38 -0.00 2.11 4.12 -1.26 -4.17 117.35 119.26 2wks s TYR 70 Ca 0.39 0.75 0.08 0.00 0.02 0.00 0.00 57.07 58.31 2wks s TYR 70 Cb 0.31 -2.64 -0.23 0.00 -1.52 0.00 0.00 41.96 37.88 2wks s TYR 70 CO 0.01 -0.07 0.82 0.93 0.02 0.00 0.00 175.55 177.26 2wks h GLU 71 N 7.39 0.04 -2.64 -0.62 4.39 -1.28 -3.48 114.58 118.38 2wks h GLU 71 Ca -0.35 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.35 2wks h GLU 71 Cb 1.16 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 29.72 2wks h GLU 71 CO 0.74 0.73 0.36 0.20 -1.16 0.00 0.00 179.01 179.87 2wks s GLY 72 N -5.02 -0.44 -0.06 -3.84 0.00 -1.24 -4.16 107.32 92.56 2wks s GLY 72 Ca -0.05 0.52 0.05 0.00 0.00 0.00 0.00 44.72 45.24 2wks s GLY 72 CO 0.82 0.17 -0.20 -0.42 0.00 0.00 0.00 173.10 173.48 2wks s ILE 73 N -3.48 1.65 -0.18 0.90 1.01 0.15 -1.91 121.20 119.34 2wks s ILE 73 Ca 0.05 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 2wks s ILE 73 Cb -0.02 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 2wks s ILE 73 CO -0.07 0.47 -0.04 -0.63 0.00 0.00 0.00 174.94 174.67 2wks s ILE 74 N 0.07 3.67 -0.02 2.92 1.01 -0.07 -0.89 121.20 127.90 2wks s ILE 74 Ca -0.06 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2wks s ILE 74 Cb -0.13 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.72 2wks s ILE 74 CO 0.03 0.46 -0.01 -0.51 0.00 0.00 0.00 174.94 174.92 2wks s ILE 75 N 0.78 0.19 -0.35 2.92 2.07 0.46 -1.00 121.20 126.26 2wks s ILE 75 Ca -0.01 -0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.26 2wks s ILE 75 Cb -0.15 -0.24 0.10 0.00 0.13 0.00 0.00 42.46 42.31 2wks s ILE 75 CO 0.02 0.11 0.07 0.21 -1.91 0.00 0.00 174.94 173.44 2wks s ASN 76 N 0.55 4.81 0.00 4.50 3.84 -0.37 -0.57 114.94 127.70 2wks s ASN 76 Ca -0.05 -2.18 0.25 0.00 0.21 0.00 0.00 52.86 51.08 2wks s ASN 76 Cb -0.08 -1.65 1.34 0.00 -0.55 0.00 0.00 41.25 40.31 2wks s ASN 76 CO -0.01 -0.39 1.83 -2.65 -2.79 0.00 0.00 177.10 173.09 2wks n PRO 77 N 4.24 0.53 0.00 0.43 -0.02 -1.26 -0.37 135.00 138.56 2wks n PRO 77 Ca 0.03 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2wks n PRO 77 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 2wks n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wks n GLY 78 N 0.68 2.03 0.29 -1.23 0.00 -1.26 -2.50 105.19 103.19 2wks n GLY 78 Ca 0.15 -0.46 0.17 0.00 0.00 0.00 0.00 46.02 45.88 2wks n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wks h ALA 79 N -0.87 1.12 0.00 4.61 0.00 -1.94 0.11 119.26 122.28 2wks h ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wks h ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wks h ALA 79 CO 0.00 -0.12 0.00 0.74 0.00 0.00 0.00 179.25 179.87 2wks h PHE 80 N 0.00 0.00 -0.93 0.00 0.04 -1.88 -3.08 116.94 111.09 2wks h PHE 80 Ca 0.00 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.93 2wks h PHE 80 Cb 0.26 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.33 2wks h PHE 80 CO 0.00 0.00 0.59 0.77 -0.60 0.00 0.00 178.31 179.07 2wks h SER 81 N 0.00 0.65 1.20 2.17 0.02 -0.90 0.14 113.55 116.83 2wks h SER 81 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2wks h SER 81 Cb 0.55 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2wks h SER 81 CO 0.00 0.30 -0.72 0.45 -1.14 0.00 0.00 176.83 175.72 2wks h HIS 82 N 0.67 0.00 0.00 3.45 3.86 -1.70 0.95 115.15 122.38 2wks h HIS 82 Ca 0.48 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.69 2wks h HIS 82 Cb 0.84 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.31 2wks h HIS 82 CO -0.00 0.00 -1.01 0.25 0.86 0.00 0.00 177.93 178.02 2wks n THR 83 N -2.68 0.01 -3.05 2.45 -2.24 -0.80 -4.59 114.28 103.39 2wks n THR 83 Ca 0.01 -0.01 -0.45 0.00 -2.27 0.00 0.00 64.05 61.34 2wks n THR 83 Cb 0.53 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 2wks n THR 83 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wks s SER 84 N -2.63 6.60 0.26 3.42 0.15 0.44 -4.81 113.70 117.13 2wks s SER 84 Ca -0.00 -2.10 -0.04 0.00 0.70 0.00 0.00 55.95 54.50 2wks s SER 84 Cb 0.00 -2.34 0.32 0.00 -1.71 0.00 0.00 66.02 62.29 2wks s SER 84 CO 0.01 -0.96 1.85 0.40 1.20 0.00 0.00 173.24 175.74 2wks h ILE 85 N 5.57 1.24 -0.33 6.45 2.04 -1.93 -2.36 117.51 128.18 2wks h ILE 85 Ca 0.08 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.29 2wks h ILE 85 Cb 1.04 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 2wks h ILE 85 CO 1.02 0.29 0.02 0.00 0.00 0.00 0.00 178.15 179.47 2wks h ALA 86 N 1.31 0.32 -0.56 1.87 0.00 -1.98 0.19 119.26 120.41 2wks h ALA 86 Ca 0.25 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 2wks h ALA 86 Cb 0.15 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2wks h ALA 86 CO -0.03 -0.39 0.09 0.82 0.00 0.00 0.00 179.25 179.74 2wks h ILE 87 N 0.12 1.24 -0.54 0.00 2.04 -1.91 -1.76 117.51 116.70 2wks h ILE 87 Ca 0.16 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.12 2wks h ILE 87 Cb 0.21 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 2wks h ILE 87 CO -0.26 0.34 0.31 0.00 0.00 0.00 0.00 178.15 178.55 2wks h ALA 88 N 1.25 0.70 -0.29 1.87 0.00 -0.67 0.58 119.26 122.70 2wks h ALA 88 Ca 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wks h ALA 88 Cb 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2wks h ALA 88 CO 0.01 0.01 0.16 -0.44 0.00 0.00 0.00 179.25 178.99 2wks h ASP 89 N 0.62 0.36 -0.80 0.00 3.32 -0.30 -1.57 116.42 118.04 2wks h ASP 89 Ca 0.22 -0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.30 2wks h ASP 89 Cb 0.06 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 39.44 2wks h ASP 89 CO -0.11 0.34 0.44 0.00 -1.72 0.00 0.00 179.24 178.18 2wks h ALA 90 N 1.04 1.16 -0.74 3.45 0.00 -0.70 -1.28 119.26 122.19 2wks h ALA 90 Ca 0.10 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2wks h ALA 90 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2wks h ALA 90 CO -0.02 0.02 0.29 0.82 0.00 0.00 0.00 179.25 180.37 2wks h ILE 91 N 0.71 1.25 0.00 0.00 2.04 -0.47 -2.45 117.51 118.59 2wks h ILE 91 Ca 0.40 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 2wks h ILE 91 Cb 0.43 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2wks h ILE 91 CO -0.28 0.32 -0.19 0.24 0.00 0.00 0.00 178.15 178.24 2wks h MET 92 N 1.06 0.00 -0.31 2.37 2.86 -0.30 -2.79 114.93 117.83 2wks h MET 92 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2wks h MET 92 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2wks h MET 92 CO -0.02 0.19 0.00 1.47 1.06 0.00 0.00 176.91 179.61 2wks n LEU 93 N -4.03 2.80 0.27 1.22 -0.00 -0.58 -4.32 117.00 112.35 2wks n LEU 93 Ca -0.02 -1.20 0.17 0.00 -0.00 0.00 0.00 56.01 54.97 2wks n LEU 93 Cb 0.27 -0.20 0.71 0.00 -0.00 0.00 0.00 43.42 44.21 2wks n LEU 93 CO 0.34 0.60 1.00 0.00 -0.00 0.00 0.00 177.39 179.33 2wks h ALA 94 N 4.34 1.00 -6.82 1.47 0.00 -1.16 -3.47 119.26 114.62 2wks h ALA 94 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 2wks h ALA 94 Cb 0.80 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.39 2wks h ALA 94 CO 0.00 0.00 -0.88 0.41 0.00 0.00 0.00 179.25 178.78 2wks n GLY 95 N -0.06 -0.33 3.48 0.00 0.00 -1.26 -4.78 105.19 102.24 2wks n GLY 95 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 2wks n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wks s LYS 96 N -6.97 0.94 0.18 1.61 -2.85 -1.26 -5.12 119.74 106.27 2wks s LYS 96 Ca 0.45 -0.34 -0.32 0.00 -1.00 0.00 0.00 55.97 54.77 2wks s LYS 96 Cb -0.25 0.44 -0.11 0.00 -2.06 0.00 0.00 37.83 35.84 2wks s LYS 96 CO 0.95 -0.41 1.70 -2.14 0.10 0.00 0.00 175.35 175.55 2wks s PRO 97 N -3.25 4.15 -0.10 1.78 0.02 -1.26 -4.82 135.00 131.52 2wks s PRO 97 Ca 0.04 2.55 0.03 0.00 0.02 0.00 0.00 61.00 63.64 2wks s PRO 97 Cb -0.01 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 31.35 2wks s PRO 97 CO -0.10 -0.73 -0.21 0.08 -0.33 0.00 0.00 177.00 175.71 2wks s VAL 98 N 1.40 1.84 -0.13 3.83 1.01 -1.26 -0.67 120.40 126.42 2wks s VAL 98 Ca 0.75 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2wks s VAL 98 Cb -0.48 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2wks s VAL 98 CO 0.32 0.51 -0.15 -0.63 0.00 0.00 0.00 175.10 175.16 2wks s ILE 99 N 0.56 2.86 -0.16 2.22 1.01 -0.07 -2.08 121.20 125.55 2wks s ILE 99 Ca -0.14 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 2wks s ILE 99 Cb -0.17 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 2wks s ILE 99 CO 0.05 0.52 0.22 -0.70 0.00 0.00 0.00 174.94 175.03 2wks s GLU 100 N 0.48 4.09 -0.01 2.79 2.12 -0.67 -0.41 118.70 127.10 2wks s GLU 100 Ca -0.10 -0.03 0.08 0.00 0.36 0.00 0.00 54.97 55.27 2wks s GLU 100 Cb -0.16 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 2wks s GLU 100 CO 0.05 0.37 -0.25 0.08 -0.54 0.00 0.00 175.26 174.97 2wks s VAL 101 N 0.11 2.19 -0.05 3.70 1.01 0.27 -0.49 120.40 127.14 2wks s VAL 101 Ca 0.14 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2wks s VAL 101 Cb -0.12 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.48 2wks s VAL 101 CO 0.02 0.53 -0.10 -1.00 0.00 0.00 0.00 175.10 174.55 2wks s HIS 102 N -0.67 1.20 0.11 5.22 3.76 0.11 -4.21 115.29 120.81 2wks s HIS 102 Ca 0.11 -0.39 -0.26 0.00 -0.15 0.00 0.00 55.06 54.37 2wks s HIS 102 Cb -0.10 -0.89 -0.09 0.00 1.11 0.00 0.00 32.58 32.61 2wks s HIS 102 CO -0.00 -0.21 1.66 -0.07 -0.85 0.00 0.00 174.74 175.27 2wks h LEU 103 N 6.83 -0.59-10.25 0.89 3.38 -1.86 -1.33 115.31 112.38 2wks h LEU 103 Ca -0.33 0.07 -0.47 0.00 0.09 0.00 0.00 57.88 57.23 2wks h LEU 103 Cb 1.17 0.23 0.01 0.00 0.09 0.00 0.00 40.66 42.16 2wks h LEU 103 CO 0.48 -0.29 -0.17 0.42 0.09 0.00 0.00 178.44 178.97 2wks s THR 104 N -6.10 5.00 -0.93 0.22 -4.23 -1.26 -1.85 115.64 106.49 2wks s THR 104 Ca -0.15 -0.44 -0.24 0.00 -1.18 0.00 0.00 61.69 59.68 2wks s THR 104 Cb 0.08 -3.83 0.03 0.00 1.34 0.00 0.00 72.50 70.12 2wks s THR 104 CO 0.66 -0.55 1.51 0.21 -0.54 0.00 0.00 174.62 175.90 2wks s ASN 105 N -4.06 6.18 0.13 3.99 3.84 -1.26 -2.74 114.94 121.02 2wks s ASN 105 Ca 0.41 -1.05 0.15 0.00 0.21 0.00 0.00 52.86 52.57 2wks s ASN 105 Cb -0.10 -2.56 0.67 0.00 -0.55 0.00 0.00 41.25 38.71 2wks s ASN 105 CO 0.37 -1.79 1.46 2.30 -2.79 0.00 0.00 177.10 176.64 2wks n ILE 106 N 6.94 1.20 0.17 -5.21 -5.35 -1.26 -0.34 119.36 115.51 2wks n ILE 106 Ca 0.27 0.39 0.03 0.00 -0.27 0.00 0.00 62.75 63.18 2wks n ILE 106 Cb 0.50 -1.30 0.40 0.00 -1.74 0.00 0.00 39.64 37.50 2wks n ILE 106 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2wks h GLN 107 N 0.00 0.08 -0.59 6.28 1.08 -1.87 -3.27 115.11 116.82 2wks h GLN 107 Ca 0.00 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 2wks h GLN 107 Cb 0.18 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 2wks h GLN 107 CO 0.00 0.33 0.06 0.00 -0.95 0.00 0.00 178.83 178.27 2wks n ALA 108 N -2.49 3.99 -3.17 3.87 0.00 0.54 -4.94 120.51 118.31 2wks n ALA 108 Ca -0.02 -2.07 0.00 0.00 0.00 0.00 0.00 53.44 51.35 2wks n ALA 108 Cb 0.32 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2wks n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wks n ARG 109 N 0.33 3.36 -1.27 0.00 1.74 -1.23 -5.05 116.66 114.53 2wks n ARG 109 Ca 0.30 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 57.02 2wks n ARG 109 Cb 1.22 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.72 2wks n ARG 109 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2wks n GLU 110 N -0.03 0.27 -0.27 5.56 4.71 -1.26 -4.86 120.64 124.76 2wks n GLU 110 Ca 0.00 0.12 0.02 0.00 -0.01 0.00 0.00 57.16 57.29 2wks n GLU 110 Cb 0.00 -1.64 0.15 0.00 -1.01 0.00 0.00 31.44 28.94 2wks n GLU 110 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2wks h GLU 111 N -0.27 0.67 0.00 3.49 4.57 -1.96 -2.03 114.58 119.05 2wks h GLU 111 Ca -0.45 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2wks h GLU 111 Cb 1.37 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2wks h GLU 111 CO 0.42 0.44 0.00 1.97 -1.18 0.00 0.00 179.01 180.66 2wks n PHE 112 N -4.81 0.00 0.75 0.92 1.16 -1.26 -2.00 117.46 112.23 2wks n PHE 112 Ca 0.12 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.78 2wks n PHE 112 Cb 0.28 -0.43 -0.05 0.00 -1.61 0.00 0.00 39.48 37.66 2wks n PHE 112 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2wks n ARG 113 N -1.43 1.70 -0.06 3.97 1.74 -0.77 -4.61 116.66 117.20 2wks n ARG 113 Ca 0.02 -0.35 -0.15 0.00 -0.77 0.00 0.00 57.85 56.60 2wks n ARG 113 Cb 0.08 -1.27 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 2wks n ARG 113 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wks h LYS 114 N 0.79 0.66 -6.76 5.56 1.57 -1.41 -3.44 116.57 113.54 2wks h LYS 114 Ca 0.00 -0.43 -0.53 0.00 -1.87 0.00 0.00 60.65 57.82 2wks h LYS 114 Cb 0.46 0.06 0.06 0.00 0.08 0.00 0.00 32.23 32.89 2wks h LYS 114 CO 0.00 1.05 0.80 1.21 -0.57 0.00 0.00 179.45 181.94 2wks s ASN 115 N -6.67 6.56 -0.27 0.86 2.47 -1.26 -4.81 114.94 111.82 2wks s ASN 115 Ca -0.12 2.75 -0.02 0.00 0.42 0.00 0.00 52.86 55.89 2wks s ASN 115 Cb 0.08 -2.63 0.09 0.00 -1.45 0.00 0.00 41.25 37.34 2wks s ASN 115 CO 0.84 -0.77 0.08 -0.55 -3.72 0.00 0.00 177.10 172.98 2wks s SER 116 N 0.44 3.59 0.10 -4.21 0.15 -1.26 -4.17 113.70 108.34 2wks s SER 116 Ca 0.61 -1.31 -0.23 0.00 0.70 0.00 0.00 55.95 55.72 2wks s SER 116 Cb -0.44 -0.70 -0.11 0.00 -1.71 0.00 0.00 66.02 63.06 2wks s SER 116 CO 0.44 -0.38 1.72 1.88 1.20 0.00 0.00 173.24 178.10 2wks h TYR 117 N 8.19 -0.10 -0.81 3.44 0.05 -1.05 -2.42 116.97 124.26 2wks h TYR 117 Ca -0.16 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.64 2wks h TYR 117 Cb 1.05 0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.79 2wks h TYR 117 CO 0.33 -0.07 0.54 1.79 -1.05 0.00 0.00 178.16 179.70 2wks h THR 118 N -0.07 1.20 -0.06 -2.88 1.35 -1.77 -2.62 112.91 108.05 2wks h THR 118 Ca 0.02 -0.37 -0.07 0.00 -0.55 0.00 0.00 66.41 65.44 2wks h THR 118 Cb 0.10 0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.52 2wks h THR 118 CO -0.06 0.20 -0.27 1.23 -0.25 0.00 0.00 175.52 176.37 2wks h GLY 119 N 1.09 0.11 2.00 5.82 0.00 -1.79 -1.45 103.07 108.85 2wks h GLY 119 Ca 0.30 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.48 2wks h GLY 119 CO -0.07 0.07 -0.34 0.00 0.00 0.00 0.00 176.54 176.21 2wks h ALA 120 N 1.64 1.10 0.00 3.60 0.00 -1.06 -2.67 119.26 121.87 2wks h ALA 120 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2wks h ALA 120 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2wks h ALA 120 CO 0.04 0.42 -0.29 0.00 0.00 0.00 0.00 179.25 179.42 2wks h ALA 121 N 1.66 0.84 -2.36 0.00 0.00 -1.15 -3.46 119.26 114.79 2wks h ALA 121 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 2wks h ALA 121 Cb 0.77 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.62 2wks h ALA 121 CO 0.04 0.00 0.34 0.00 0.00 0.00 0.00 179.25 179.64 2wks h GLY 123 N -0.26 0.76 -2.65 0.00 0.00 -1.70 -3.47 103.07 95.75 2wks h GLY 123 Ca -0.45 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.34 2wks h GLY 123 CO 0.62 0.49 0.07 -0.32 0.00 0.00 0.00 176.54 177.40 2wks s GLY 124 N -3.79 -0.19 -0.00 4.60 0.00 -1.26 -5.09 107.32 101.59 2wks s GLY 124 Ca -0.09 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.54 2wks s GLY 124 CO 0.80 -0.18 -0.03 0.14 0.00 0.00 0.00 173.10 173.83 2wks s VAL 125 N -3.85 0.24 -0.10 1.40 1.01 -1.26 -1.67 120.40 116.17 2wks s VAL 125 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2wks s VAL 125 Cb -0.01 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.17 2wks s VAL 125 CO -0.04 0.07 -0.12 -0.63 0.00 0.00 0.00 175.10 174.39 2wks s ILE 126 N -0.01 1.22 0.01 2.22 1.01 0.36 -4.97 121.20 121.02 2wks s ILE 126 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.20 2wks s ILE 126 Cb -0.02 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 2wks s ILE 126 CO -0.00 0.39 -0.02 0.00 0.00 0.00 0.00 174.94 175.30 2wks s MET 127 N 1.15 0.18 0.00 2.79 0.23 -1.26 0.07 119.30 122.45 2wks s MET 127 Ca -0.05 -0.21 0.00 0.00 -1.03 0.00 0.00 55.69 54.40 2wks s MET 127 Cb -0.14 -0.07 0.00 0.00 -1.53 0.00 0.00 34.83 33.09 2wks s MET 127 CO -0.03 0.01 0.00 0.41 -2.03 0.00 0.00 175.02 173.39 2wks n GLY 128 N 2.63 0.82 0.54 3.16 0.00 -0.50 -4.71 105.19 107.12 2wks n GLY 128 Ca -0.15 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.49 2wks n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wks n PHE 129 N -2.39 0.49 -5.00 1.61 3.01 -0.95 -4.66 117.46 109.57 2wks n PHE 129 Ca 0.00 -0.71 0.00 0.00 1.01 0.00 0.00 57.45 57.75 2wks n PHE 129 Cb 0.02 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.34 2wks n PHE 129 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wks n GLY 130 N -0.32 0.97 0.35 1.37 0.00 -0.77 -3.10 105.19 103.69 2wks n GLY 130 Ca 0.14 -0.77 0.17 0.00 0.00 0.00 0.00 46.02 45.56 2wks n GLY 130 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wks h PRO 131 N 0.00 0.00 -0.78 1.61 0.11 -1.92 -1.66 132.00 129.35 2wks h PRO 131 Ca 0.00 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.29 2wks h PRO 131 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 2wks h PRO 131 CO 0.00 0.00 0.53 1.25 -0.21 0.00 0.00 178.00 179.57 2wks h LEU 132 N 0.00 0.30 -1.35 2.35 5.85 -1.97 0.07 115.31 120.56 2wks h LEU 132 Ca 0.17 0.02 0.20 0.00 0.84 0.00 0.00 57.88 59.11 2wks h LEU 132 Cb 0.70 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.62 2wks h LEU 132 CO -0.00 0.14 0.61 1.23 -0.34 0.00 0.00 178.44 180.08 2wks h GLY 133 N 0.31 1.16 1.36 3.75 0.00 -1.37 -0.70 103.07 107.58 2wks h GLY 133 Ca 0.39 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 2wks h GLY 133 CO -0.11 -0.02 0.01 -0.97 0.00 0.00 0.00 176.54 175.45 2wks h TYR 134 N 0.53 0.83 -0.18 5.60 -1.99 -1.18 -0.94 116.97 119.63 2wks h TYR 134 Ca 0.51 -0.11 -0.15 0.00 2.00 0.00 0.00 58.73 60.97 2wks h TYR 134 Cb 1.09 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.58 2wks h TYR 134 CO -0.00 0.76 -0.53 -0.91 -0.00 0.00 0.00 178.16 177.48 2wks h ASN 135 N 0.73 0.58 -0.84 3.88 2.35 -1.26 -0.90 115.58 120.11 2wks h ASN 135 Ca 0.14 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2wks h ASN 135 Cb 0.43 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 2wks h ASN 135 CO 0.02 1.00 0.55 0.24 -1.65 0.00 0.00 177.43 177.58 2wks h MET 136 N 0.41 1.11 -0.36 0.81 2.86 -1.08 0.25 114.93 118.93 2wks h MET 136 Ca 0.01 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 2wks h MET 136 Cb 1.06 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 2wks h MET 136 CO 0.10 0.74 -0.01 0.00 1.06 0.00 0.00 176.91 178.80 2wks h ALA 137 N 1.46 0.49 -0.06 6.32 0.00 -0.65 -0.92 119.26 125.90 2wks h ALA 137 Ca 0.31 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2wks h ALA 137 Cb -0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2wks h ALA 137 CO -0.06 0.26 -0.08 -0.07 0.00 0.00 0.00 179.25 179.30 2wks h LEU 138 N 0.45 -0.23 -0.31 0.00 3.38 -0.59 0.96 115.31 118.98 2wks h LEU 138 Ca 0.10 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.19 2wks h LEU 138 Cb 0.47 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 2wks h LEU 138 CO 0.02 -0.11 -0.20 -0.03 0.09 0.00 0.00 178.44 178.21 2wks h MET 139 N -0.10 -0.16 -0.74 1.13 4.05 -0.32 -1.06 114.93 117.73 2wks h MET 139 Ca 0.05 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.43 2wks h MET 139 Cb 0.17 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 2wks h MET 139 CO -0.12 -0.11 0.24 0.00 0.23 0.00 0.00 176.91 177.16 2wks h ALA 140 N 1.01 1.03 -0.03 0.39 0.00 -0.87 -2.10 119.26 118.70 2wks h ALA 140 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wks h ALA 140 Cb 0.42 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wks h ALA 140 CO -0.41 0.66 0.02 1.98 0.00 0.00 0.00 179.25 181.49 2wks h MET 141 N 1.10 0.04 -0.94 0.00 -1.53 -0.31 0.19 114.93 113.47 2wks h MET 141 Ca 0.24 -0.00 0.08 0.00 -3.44 0.00 0.00 59.70 56.58 2wks h MET 141 Cb 0.29 -0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 31.26 2wks h MET 141 CO -0.01 0.04 0.59 0.28 0.14 0.00 0.00 176.91 177.95 2wks h VAL 142 N 0.02 1.01 -0.12 -5.77 2.07 -0.98 0.84 116.25 113.32 2wks h VAL 142 Ca 0.01 -0.35 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 2wks h VAL 142 Cb 0.01 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 2wks h VAL 142 CO -0.00 0.19 -0.59 0.78 0.02 0.00 0.00 177.57 177.96 2wks h ASN 143 N 1.02 0.45 -0.33 0.57 2.35 -0.77 -0.55 115.58 118.32 2wks h ASN 143 Ca 0.43 -0.25 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 2wks h ASN 143 Cb 0.28 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2wks h ASN 143 CO -0.21 0.94 -0.21 0.40 -1.65 0.00 0.00 177.43 176.70 2wks h ILE 144 N 0.30 1.29 -0.05 2.81 2.04 0.04 -1.68 117.51 122.27 2wks h ILE 144 Ca -0.00 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 2wks h ILE 144 Cb 1.12 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2wks h ILE 144 CO 0.10 0.44 -0.02 -0.07 0.00 0.00 0.00 178.15 178.60 2wks h LEU 145 N 0.50 0.10 -0.89 1.44 3.38 -0.83 -1.68 115.31 117.33 2wks h LEU 145 Ca 0.07 -0.41 0.24 0.00 0.09 0.00 0.00 57.88 57.87 2wks h LEU 145 Cb 0.77 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.35 2wks h LEU 145 CO 0.06 0.49 0.30 0.00 0.09 0.00 0.00 178.44 179.38 2wks h ALA 146 N 0.61 1.38 0.00 1.53 0.00 -1.08 -0.79 119.26 120.91 2wks h ALA 146 Ca 0.01 0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 2wks h ALA 146 Cb 0.45 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2wks h ALA 146 CO 0.01 -0.46 -0.66 1.49 0.00 0.00 0.00 179.25 179.63 2wks h GLU 147 N 0.25 0.00 -0.38 0.00 4.81 -1.11 -1.16 114.58 117.00 2wks h GLU 147 Ca 0.57 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.66 2wks h GLU 147 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2wks h GLU 147 CO -0.63 0.66 -0.34 0.52 -0.73 0.00 0.00 179.01 178.49 2wks h MET 148 N 0.00 0.88 0.00 1.92 2.86 -0.21 -3.12 114.93 117.26 2wks h MET 148 Ca -0.01 -0.43 -0.20 0.00 -2.06 0.00 0.00 59.70 57.00 2wks h MET 148 Cb 1.46 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.09 2wks h MET 148 CO 0.09 1.08 -1.18 0.87 1.06 0.00 0.00 176.91 178.83 2wks h LYS 149 N 0.73 0.00 0.09 1.72 1.57 -1.31 -3.20 116.57 116.18 2wks h LYS 149 Ca 0.07 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2wks h LYS 149 Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 2wks h LYS 149 CO 0.08 0.59 -0.13 0.00 -0.57 0.00 0.00 179.45 179.42 2wks h ALA 150 N 1.21 -0.23 -0.85 3.86 0.00 -1.26 -2.85 119.26 119.15 2wks h ALA 150 Ca -0.12 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2wks h ALA 150 Cb 1.71 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 2wks h ALA 150 CO 0.08 -0.65 0.53 0.35 0.00 0.00 0.00 179.25 179.56 2wks h PHE 151 N -0.27 0.98 -0.85 0.00 -0.00 -1.65 -2.55 116.94 112.60 2wks h PHE 151 Ca 0.02 0.03 0.08 0.00 -0.00 0.00 0.00 57.97 58.09 2wks h PHE 151 Cb 0.28 -0.32 -0.10 0.00 -0.00 0.00 0.00 35.95 35.80 2wks h PHE 151 CO -0.14 0.51 -0.53 0.37 -0.00 0.00 0.00 178.31 178.52 2wks h GLN 152 N 0.98 -0.03 0.00 1.11 4.15 -1.49 -3.52 115.11 116.30 2wks h GLN 152 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.79 2wks h GLN 152 Cb 0.14 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.83 2wks h GLN 152 CO -0.16 -0.02 0.00 0.39 -1.93 0.00 0.00 178.83 177.11