#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 4.27 -0.16 2.12 1.02 -1.26 -1.72 119.74 124.01 2wks s LYS 2 Ca 0.00 0.56 -0.02 0.00 0.02 0.00 0.00 55.97 56.53 2wks s LYS 2 Cb 0.00 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 2wks s LYS 2 CO 0.00 -0.06 -0.08 0.42 -0.92 0.00 0.00 175.35 174.71 2wks s ILE 3 N 1.32 3.38 -0.23 2.17 -1.09 -0.60 -0.98 121.20 125.18 2wks s ILE 3 Ca 0.28 -0.53 -0.16 0.00 -2.23 0.00 0.00 60.65 58.01 2wks s ILE 3 Cb -0.16 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 2wks s ILE 3 CO 0.11 0.49 0.43 -0.22 -1.23 0.00 0.00 174.94 174.52 2wks s LEU 4 N 0.64 4.11 -0.31 2.97 2.96 -0.79 -1.57 118.68 126.69 2wks s LEU 4 Ca -0.05 0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 54.26 2wks s LEU 4 Cb -0.15 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 43.99 2wks s LEU 4 CO 0.03 -0.16 0.14 -0.69 -1.32 0.00 0.00 176.35 174.34 2wks s VAL 5 N 1.73 4.40 -0.19 1.68 1.01 -0.10 -1.08 120.40 127.86 2wks s VAL 5 Ca 0.19 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2wks s VAL 5 Cb -0.15 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2wks s VAL 5 CO 0.09 0.04 0.01 -0.63 0.00 0.00 0.00 175.10 174.61 2wks s ILE 6 N 1.57 4.15 -0.22 2.22 1.01 -0.18 -0.54 121.20 129.21 2wks s ILE 6 Ca 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 2wks s ILE 6 Cb -0.17 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.44 2wks s ILE 6 CO 0.05 0.44 -0.10 -1.10 0.00 0.00 0.00 174.94 174.23 2wks s GLN 7 N 0.76 3.07 0.00 2.79 -1.52 0.95 -1.13 119.66 124.59 2wks s GLN 7 Ca 0.01 -0.81 0.00 0.00 -1.95 0.00 0.00 55.36 52.61 2wks s GLN 7 Cb -0.14 -2.86 0.00 0.00 -0.22 0.00 0.00 33.01 29.79 2wks s GLN 7 CO 0.02 -0.27 0.00 0.41 -0.25 0.00 0.00 175.29 175.20 2wks n GLY 8 N 4.70 -1.55 3.76 3.09 0.00 0.11 -1.48 105.19 113.82 2wks n GLY 8 Ca -0.19 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.74 2.20 0.00 1.61 -0.04 -0.98 -2.97 135.00 134.08 2wks n PRO 9 Ca 0.00 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 2wks n PRO 9 Cb 0.00 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 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 -0.26 0.00 0.24 3.54 3.02 -1.26 -4.59 115.26 115.96 2wks n ASN 10 Ca 0.06 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.71 2wks n ASN 10 Cb 0.42 -0.24 0.62 0.00 -0.61 0.00 0.00 39.78 39.96 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 -1.05 3.41 3.38 -1.89 -0.74 115.31 118.42 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 0.18 0.00 -0.55 0.09 0.00 0.00 178.44 178.16 2wks h ASN 12 N 0.00 0.00 0.02 -0.43 -1.07 -1.88 -2.29 115.58 109.93 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 0.45 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.70 2wks h ASN 12 CO 0.02 0.00 -0.02 0.23 0.07 0.00 0.00 177.43 177.74 2wks n MET 13 N -2.30 1.43 -1.68 4.14 2.81 -0.28 -4.78 117.12 116.45 2wks n MET 13 Ca 0.01 -0.69 -0.42 0.00 -1.81 0.00 0.00 57.70 54.78 2wks n MET 13 Cb 0.16 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.18 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 -0.18 3.39 0.00 4.03 4.77 -0.86 -3.63 117.00 124.52 2wks n LEU 14 Ca 0.20 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.36 2wks n LEU 14 Cb 0.30 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 2wks n LEU 14 CO 0.18 -0.64 0.00 0.61 -1.33 0.00 0.00 177.39 176.21 2wks n GLY 15 N 0.83 0.84 0.44 -0.72 0.00 -1.23 -4.31 105.19 101.04 2wks n GLY 15 Ca 0.06 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.34 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 0.45 -0.02 1.61 3.86 -1.84 0.18 115.15 119.39 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 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.34 2wks h HIS 16 CO 0.00 0.04 -0.26 0.54 0.86 0.00 0.00 177.93 179.11 2wks n ARG 17 N -4.50 1.65 -4.46 2.45 5.12 -1.26 -5.00 116.66 110.66 2wks n ARG 17 Ca 0.25 -1.32 -0.41 0.00 -1.93 0.00 0.00 57.85 54.44 2wks n ARG 17 Cb 0.97 -1.43 -0.07 0.00 -1.16 0.00 0.00 32.46 30.77 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 0.50 -2.08 -1.84 0.55 3.85 0.62 -4.85 116.55 113.29 2wks n ASP 18 Ca 0.10 -1.19 -0.01 0.00 -0.71 0.00 0.00 54.79 52.98 2wks n ASP 18 Cb 0.49 -1.88 -0.01 0.00 -1.35 0.00 0.00 41.12 38.37 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 -4.15 0.54 0.00 0.11 -0.02 -1.26 -4.80 135.00 125.42 2wks n PRO 19 Ca 0.09 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2wks n PRO 19 Cb 0.47 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 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 1.92 0.00 -0.22 -0.52 3.00 -1.26 -4.41 116.66 115.18 2wks n ARG 20 Ca 0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.82 2wks n ARG 20 Cb 0.27 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.76 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 0.78 0.00 6.15 4.07 -2.04 -3.25 115.31 121.02 2wks h LEU 21 Ca 0.00 -0.11 -0.14 0.00 0.08 0.00 0.00 57.88 57.72 2wks h LEU 21 Cb 0.00 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 2wks h LEU 21 CO 0.00 0.66 -1.81 -1.22 -1.08 0.00 0.00 178.44 174.99 2wks n TYR 22 N -4.55 0.39 0.00 1.13 4.02 -1.26 -4.94 117.16 111.96 2wks n TYR 22 Ca 0.04 0.13 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 2wks n TYR 22 Cb 0.10 -0.84 0.00 0.00 -0.02 0.00 0.00 39.34 38.58 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 1.41 -0.11 0.00 2.72 0.00 -1.23 -4.81 105.19 103.18 2wks n GLY 23 Ca -0.12 -2.12 0.04 0.00 0.00 0.00 0.00 46.02 43.82 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 1.98 -2.96 1.61 2.81 -1.26 -3.98 117.12 115.31 2wks n MET 24 Ca 0.00 -0.05 -0.40 0.00 -1.81 0.00 0.00 57.70 55.44 2wks n MET 24 Cb 0.00 -1.09 -0.05 0.00 -0.71 0.00 0.00 33.22 31.37 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 -2.29 4.65 0.70 2.03 1.01 -1.26 -4.59 120.40 120.66 2wks s VAL 25 Ca -0.00 1.68 -0.08 0.00 0.00 0.00 0.00 61.98 63.58 2wks s VAL 25 Cb 0.06 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.35 2wks s VAL 25 CO 0.38 0.38 1.02 0.42 0.00 0.00 0.00 175.10 177.31 2wks s THR 26 N -0.21 2.59 0.20 3.92 -4.23 -1.26 -3.57 115.64 113.08 2wks s THR 26 Ca 0.39 -0.12 -0.08 0.00 -1.18 0.00 0.00 61.69 60.70 2wks s THR 26 Cb -0.21 -3.12 0.11 0.00 1.34 0.00 0.00 72.50 70.62 2wks s THR 26 CO 0.24 -0.14 1.71 0.25 -0.54 0.00 0.00 174.62 176.15 2wks h LEU 27 N -0.59 1.07 -0.52 4.79 5.85 -1.79 -0.97 115.31 123.14 2wks h LEU 27 Ca -0.45 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.05 2wks h LEU 27 Cb 1.30 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 2wks h LEU 27 CO 0.62 1.03 0.33 0.44 -0.34 0.00 0.00 178.44 180.52 2wks h ASP 28 N 1.06 0.56 -0.52 1.25 3.32 -1.95 -1.24 116.42 118.91 2wks h ASP 28 Ca 0.22 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 2wks h ASP 28 Cb 0.39 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 2wks h ASP 28 CO 0.01 0.40 0.31 1.56 -1.72 0.00 0.00 179.24 179.80 2wks h GLN 29 N 0.67 0.71 -0.54 3.56 4.20 -1.81 0.26 115.11 122.16 2wks h GLN 29 Ca 0.20 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 2wks h GLN 29 Cb -0.04 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2wks h GLN 29 CO -0.06 0.51 0.15 0.82 -0.67 0.00 0.00 178.83 179.58 2wks h ILE 30 N 0.73 1.24 -0.28 2.54 2.04 -0.37 -1.30 117.51 122.10 2wks h ILE 30 Ca 0.19 -0.82 -0.11 0.00 1.00 0.00 0.00 64.86 65.12 2wks h ILE 30 Cb -0.02 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2wks h ILE 30 CO -0.04 0.30 -0.27 0.45 0.00 0.00 0.00 178.15 178.59 2wks h HIS 31 N 0.75 0.65 -0.15 1.37 3.86 -0.03 -1.71 115.15 119.87 2wks h HIS 31 Ca 0.17 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2wks h HIS 31 Cb 0.30 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 2wks h HIS 31 CO 0.02 0.79 0.06 0.93 0.86 0.00 0.00 177.93 180.59 2wks h GLU 32 N 0.49 0.23 -1.02 2.45 5.08 -0.35 -1.81 114.58 119.65 2wks h GLU 32 Ca 0.07 -0.04 0.25 0.00 -1.00 0.00 0.00 59.36 58.64 2wks h GLU 32 Cb 0.73 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.85 2wks h GLU 32 CO 0.06 0.31 0.65 0.82 -1.00 0.00 0.00 179.01 179.84 2wks h ILE 33 N 0.09 0.56 -0.13 3.13 2.04 -0.98 0.29 117.51 122.52 2wks h ILE 33 Ca 0.05 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 2wks h ILE 33 Cb 0.17 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2wks h ILE 33 CO -0.00 0.08 -0.08 0.24 0.00 0.00 0.00 178.15 178.38 2wks h MET 34 N 0.45 0.28 -0.08 2.37 2.86 -0.71 -1.78 114.93 118.32 2wks h MET 34 Ca 0.59 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 58.11 2wks h MET 34 Cb 1.38 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.02 2wks h MET 34 CO -0.31 0.64 -0.04 1.96 1.06 0.00 0.00 176.91 180.23 2wks h GLN 35 N -0.09 -0.03 -0.64 1.72 1.08 -0.34 -1.26 115.11 115.55 2wks h GLN 35 Ca 0.03 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.36 2wks h GLN 35 Cb 0.57 0.01 -0.11 0.00 -0.05 0.00 0.00 27.48 27.90 2wks h GLN 35 CO 0.02 -0.02 0.02 1.15 -0.95 0.00 0.00 178.83 179.05 2wks h THR 36 N -0.03 0.48 -0.80 -0.54 2.02 -1.04 0.73 112.91 113.73 2wks h THR 36 Ca 0.04 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2wks h THR 36 Cb 0.09 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 2wks h THR 36 CO -0.10 0.02 0.43 0.15 0.37 0.00 0.00 175.52 176.40 2wks h PHE 37 N 0.13 1.10 -0.43 3.16 3.57 -0.71 -0.52 116.94 123.25 2wks h PHE 37 Ca 0.34 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 2wks h PHE 37 Cb 0.56 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2wks h PHE 37 CO -0.36 0.77 0.03 0.28 -2.23 0.00 0.00 178.31 176.80 2wks h VAL 38 N 1.12 1.25 0.42 1.41 2.07 0.15 -2.99 116.25 119.69 2wks h VAL 38 Ca 0.28 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2wks h VAL 38 Cb 0.04 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2wks h VAL 38 CO -0.04 0.33 -0.20 0.11 0.02 0.00 0.00 177.57 177.79 2wks h LYS 39 N 0.58 -0.55 0.00 1.57 1.57 -0.77 -1.75 116.57 117.22 2wks h LYS 39 Ca 0.13 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2wks h LYS 39 Cb 0.44 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2wks h LYS 39 CO 0.02 -0.24 0.00 1.04 -0.57 0.00 0.00 179.45 179.69 2wks n GLN 40 N -5.19 0.00 0.00 3.15 1.13 -0.22 0.64 117.38 116.89 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 0.29 -1.47 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 -0.85 0.24 2.45 1.08 0.00 -1.13 -5.00 105.19 101.98 2wks n GLY 41 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.14 -5.28 -4.76 1.61 3.02 0.21 -4.93 115.26 104.98 2wks n ASN 42 Ca 0.00 0.29 -0.38 0.00 -0.03 0.00 0.00 54.58 54.46 2wks n ASN 42 Cb 0.09 -4.57 0.01 0.00 -0.61 0.00 0.00 39.78 34.70 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 -5.15 4.01 -1.21 3.41 1.43 -0.70 -4.91 118.68 115.56 2wks s LEU 43 Ca 0.00 2.53 -0.06 0.00 -1.03 0.00 0.00 54.13 55.56 2wks s LEU 43 Cb 0.00 -4.17 0.21 0.00 0.03 0.00 0.00 46.19 42.26 2wks s LEU 43 CO 0.00 -1.10 1.86 -0.67 0.23 0.00 0.00 176.35 176.67 2wks n ASP 44 N -0.51 6.20 -3.78 2.29 2.03 -1.26 -4.80 116.55 116.72 2wks n ASP 44 Ca 0.07 -3.25 -0.17 0.00 0.52 0.00 0.00 54.79 51.96 2wks n ASP 44 Cb 0.46 -1.37 -0.17 0.00 -0.72 0.00 0.00 41.12 39.32 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 -1.18 0.09 -0.18 5.18 1.01 -1.26 -3.84 120.40 120.22 2wks s VAL 45 Ca 0.40 0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 2wks s VAL 45 Cb 0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 2wks s VAL 45 CO 0.00 0.15 0.03 -1.61 0.00 0.00 0.00 175.10 173.67 2wks s GLU 46 N 1.28 3.86 -0.12 2.72 2.02 -0.70 -4.99 118.70 122.77 2wks s GLU 46 Ca -0.06 -0.41 -0.10 0.00 0.02 0.00 0.00 54.97 54.42 2wks s GLU 46 Cb -0.13 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 30.91 2wks s GLU 46 CO -0.02 0.21 0.22 -0.51 0.02 0.00 0.00 175.26 175.17 2wks s LEU 47 N 0.50 4.35 -0.16 1.80 1.43 -1.26 -1.56 118.68 123.79 2wks s LEU 47 Ca 0.01 0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 53.62 2wks s LEU 47 Cb -0.13 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 2wks s LEU 47 CO 0.01 0.30 -0.08 -0.70 0.23 0.00 0.00 176.35 176.12 2wks s GLU 48 N -0.56 3.49 -0.11 1.70 2.12 -0.61 -4.96 118.70 119.77 2wks s GLU 48 Ca 0.16 -0.61 -0.05 0.00 0.36 0.00 0.00 54.97 54.83 2wks s GLU 48 Cb -0.13 -2.83 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 2wks s GLU 48 CO 0.05 0.12 0.09 -0.06 -0.54 0.00 0.00 175.26 174.92 2wks s PHE 49 N 0.63 3.43 -0.10 5.30 0.08 -1.26 -0.92 117.98 125.14 2wks s PHE 49 Ca -0.04 0.40 -0.04 0.00 0.12 0.00 0.00 56.93 57.36 2wks s PHE 49 Cb -0.15 -1.88 0.05 0.00 -0.57 0.00 0.00 43.02 40.47 2wks s PHE 49 CO 0.03 0.63 0.22 0.12 -0.10 0.00 0.00 175.22 176.12 2wks s PHE 50 N -0.98 -0.28 -0.04 0.36 5.36 0.30 -4.95 117.98 117.74 2wks s PHE 50 Ca 0.14 0.71 0.05 0.00 -0.96 0.00 0.00 56.93 56.87 2wks s PHE 50 Cb -0.12 -0.01 -0.01 0.00 -0.34 0.00 0.00 43.02 42.55 2wks s PHE 50 CO 0.03 -0.23 -0.18 -1.14 -1.46 0.00 0.00 175.22 172.25 2wks s GLN 51 N 1.38 1.79 0.08 10.12 -0.44 -1.26 -0.03 119.66 131.29 2wks s GLN 51 Ca -0.08 -0.65 -0.12 0.00 -2.50 0.00 0.00 55.36 52.01 2wks s GLN 51 Cb -0.11 -1.58 0.01 0.00 -1.64 0.00 0.00 33.01 29.69 2wks s GLN 51 CO -0.08 0.29 0.28 -0.08 0.50 0.00 0.00 175.29 176.20 2wks s THR 52 N -0.09 0.10 -2.59 -0.34 -1.32 -0.55 -4.97 115.64 105.89 2wks s THR 52 Ca -0.01 -0.86 0.21 0.00 -1.21 0.00 0.00 61.69 59.82 2wks s THR 52 Cb -0.11 -1.15 0.21 0.00 -1.51 0.00 0.00 72.50 69.95 2wks s THR 52 CO 0.02 -0.47 1.21 0.59 -2.21 0.00 0.00 174.62 173.75 2wks n ASN 53 N 0.14 2.88 -4.60 8.08 3.02 -1.26 -2.31 115.26 121.21 2wks n ASN 53 Ca -0.17 -1.90 -0.37 0.00 -0.03 0.00 0.00 54.58 52.11 2wks n ASN 53 Cb 0.62 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.71 3.24 0.25 3.10 0.40 -1.26 -4.76 117.98 117.23 2wks s PHE 54 Ca 0.27 0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.63 2wks s PHE 54 Cb 0.18 -2.29 0.47 0.00 0.51 0.00 0.00 43.02 41.90 2wks s PHE 54 CO 0.27 -0.08 1.72 1.49 0.70 0.00 0.00 175.22 179.32 2wks h GLU 55 N 7.87 0.40 -0.52 0.44 4.81 -2.00 -1.35 114.58 124.23 2wks h GLU 55 Ca -0.37 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.81 2wks h GLU 55 Cb 1.18 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2wks h GLU 55 CO 0.61 0.26 0.21 0.78 -0.73 0.00 0.00 179.01 180.14 2wks h GLY 56 N 0.41 0.80 1.09 1.92 0.00 -1.99 -1.73 103.07 103.57 2wks h GLY 56 Ca 0.42 -0.39 -0.15 0.00 0.00 0.00 0.00 47.33 47.21 2wks h GLY 56 CO -0.43 0.37 -0.37 0.83 0.00 0.00 0.00 176.54 176.94 2wks h GLU 57 N 0.74 0.88 -0.35 4.80 5.08 -1.69 -0.47 114.58 123.57 2wks h GLU 57 Ca 0.18 -0.47 0.05 0.00 -1.00 0.00 0.00 59.36 58.11 2wks h GLU 57 Cb 0.14 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2wks h GLU 57 CO -0.02 1.12 0.10 0.82 -1.00 0.00 0.00 179.01 180.03 2wks h ILE 58 N 0.68 0.86 0.07 3.13 2.04 -0.80 -0.28 117.51 123.22 2wks h ILE 58 Ca 0.05 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2wks h ILE 58 Cb 0.97 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2wks h ILE 58 CO 0.09 0.04 -0.04 0.40 0.00 0.00 0.00 178.15 178.65 2wks h ILE 59 N 0.23 0.96 -0.66 -0.67 2.04 -1.21 -0.64 117.51 117.56 2wks h ILE 59 Ca 0.16 -0.11 0.14 0.00 1.00 0.00 0.00 64.86 66.05 2wks h ILE 59 Cb 0.16 1.04 -0.12 0.00 -0.74 0.00 0.00 36.82 37.16 2wks h ILE 59 CO -0.19 0.03 -0.06 0.44 0.00 0.00 0.00 178.15 178.37 2wks h ASP 60 N -0.15 -0.42 -0.28 1.72 5.19 -0.86 -0.30 116.42 121.32 2wks h ASP 60 Ca -0.01 0.18 -0.09 0.00 -0.62 0.00 0.00 57.03 56.48 2wks h ASP 60 Cb 0.12 0.34 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 2wks h ASP 60 CO 0.02 -0.17 -0.19 0.50 -3.12 0.00 0.00 179.24 176.27 2wks h LYS 61 N 0.07 0.63 -0.54 3.56 1.63 -0.54 0.66 116.57 122.04 2wks h LYS 61 Ca 0.34 -0.30 0.09 0.00 -0.85 0.00 0.00 60.65 59.93 2wks h LYS 61 Cb 0.55 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.11 2wks h LYS 61 CO -0.62 0.89 0.14 0.82 -3.45 0.00 0.00 179.45 177.23 2wks h ILE 62 N 0.37 0.73 -0.73 2.00 2.04 -0.59 -2.03 117.51 119.30 2wks h ILE 62 Ca 0.06 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2wks h ILE 62 Cb 0.73 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2wks h ILE 62 CO 0.05 0.05 0.40 1.56 0.00 0.00 0.00 178.15 180.21 2wks h GLN 63 N 0.28 1.03 0.00 2.37 4.20 -0.54 -2.51 115.11 119.94 2wks h GLN 63 Ca 0.27 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2wks h GLN 63 Cb 0.36 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2wks h GLN 63 CO -0.33 0.77 0.00 0.93 -0.67 0.00 0.00 178.83 179.53 2wks h GLU 64 N 1.01 0.00 0.00 1.46 5.08 -0.25 -1.70 114.58 120.19 2wks h GLU 64 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2wks h GLU 64 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2wks h GLU 64 CO -0.04 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.63 2wks h SER 65 N 0.00 0.00 0.60 1.42 4.64 -0.92 -3.36 113.55 115.93 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 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 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 -1.37 -2.94 116.25 114.97 2wks h VAL 66 Ca 0.00 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2wks h VAL 66 Cb 0.67 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2wks h VAL 66 CO 0.00 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 178.81 2wks h GLY 67 N -1.02 0.00 -0.75 2.17 0.00 -1.75 -3.46 103.07 98.26 2wks h GLY 67 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.95 2wks h GLY 67 CO 0.14 0.00 0.17 -1.14 0.00 0.00 0.00 176.54 175.70 2wks n SER 68 N -3.41 0.53 -1.87 0.19 3.41 -1.11 -4.95 113.62 106.40 2wks n SER 68 Ca -0.03 -1.56 -0.17 0.00 -0.26 0.00 0.00 58.87 56.85 2wks n SER 68 Cb 0.10 -0.54 0.06 0.00 -0.26 0.00 0.00 64.21 63.57 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 -3.22 5.78 -4.64 4.04 5.75 -1.26 -4.87 116.55 118.14 2wks n ASP 69 Ca 0.11 -3.07 -0.39 0.00 -0.01 0.00 0.00 54.79 51.43 2wks n ASP 69 Cb 0.39 -0.95 -0.08 0.00 -1.03 0.00 0.00 41.12 39.44 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 -1.97 3.31 0.02 2.11 4.12 -1.26 -4.12 117.35 119.56 2wks s TYR 70 Ca 0.34 0.59 0.08 0.00 0.02 0.00 0.00 57.07 58.09 2wks s TYR 70 Cb 0.27 -2.61 -0.23 0.00 -1.52 0.00 0.00 41.96 37.87 2wks s TYR 70 CO 0.01 -0.16 0.92 0.93 0.02 0.00 0.00 175.55 177.27 2wks h GLU 71 N 7.77 0.04 -2.80 -0.62 4.39 -1.39 -3.48 114.58 118.49 2wks h GLU 71 Ca -0.33 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.36 2wks h GLU 71 Cb 1.15 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.73 2wks h GLU 71 CO 0.70 0.79 0.30 0.20 -1.16 0.00 0.00 179.01 179.84 2wks s GLY 72 N -4.95 -0.39 -0.04 -3.84 0.00 -1.24 -4.20 107.32 92.67 2wks s GLY 72 Ca -0.04 0.29 0.04 0.00 0.00 0.00 0.00 44.72 45.02 2wks s GLY 72 CO 0.83 0.09 -0.15 -0.42 0.00 0.00 0.00 173.10 173.45 2wks s ILE 73 N -3.64 1.30 -0.18 0.90 1.01 0.38 -1.88 121.20 119.10 2wks s ILE 73 Ca 0.06 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 2wks s ILE 73 Cb -0.03 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 2wks s ILE 73 CO -0.05 0.38 -0.08 -0.63 0.00 0.00 0.00 174.94 174.57 2wks s ILE 74 N 0.13 3.29 -0.01 2.92 1.01 -0.24 -0.69 121.20 127.60 2wks s ILE 74 Ca -0.05 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.06 2wks s ILE 74 Cb -0.11 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.92 2wks s ILE 74 CO 0.02 0.47 -0.03 -0.51 0.00 0.00 0.00 174.94 174.90 2wks s ILE 75 N 0.91 0.27 -0.35 2.92 2.07 0.14 -1.01 121.20 126.15 2wks s ILE 75 Ca -0.02 -0.09 0.03 0.00 -1.41 0.00 0.00 60.65 59.17 2wks s ILE 75 Cb -0.15 -0.27 0.10 0.00 0.13 0.00 0.00 42.46 42.27 2wks s ILE 75 CO 0.00 0.11 0.07 0.21 -1.91 0.00 0.00 174.94 173.42 2wks s ASN 76 N 0.28 4.83 0.00 4.50 3.84 -0.28 -0.57 114.94 127.53 2wks s ASN 76 Ca -0.03 -2.15 0.20 0.00 0.21 0.00 0.00 52.86 51.10 2wks s ASN 76 Cb -0.06 -1.65 1.10 0.00 -0.55 0.00 0.00 41.25 40.09 2wks s ASN 76 CO -0.01 -0.40 1.63 -2.65 -2.79 0.00 0.00 177.10 172.88 2wks n PRO 77 N 4.29 0.43 0.00 0.43 -0.02 -1.26 0.06 135.00 138.92 2wks n PRO 77 Ca 0.03 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 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 0.37 1.86 0.24 -1.23 0.00 -1.26 -2.35 105.19 102.82 2wks n GLY 78 Ca 0.12 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.74 1.15 0.00 4.61 0.00 -1.94 0.15 119.26 122.49 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 -0.15 0.00 1.19 0.00 0.00 0.00 179.25 180.29 2wks n PHE 80 N -2.53 0.88 -0.12 0.00 3.72 -0.99 -3.06 117.46 115.36 2wks n PHE 80 Ca -0.02 0.31 0.09 0.00 -0.05 0.00 0.00 57.45 57.78 2wks n PHE 80 Cb 0.22 -1.00 0.43 0.00 -0.94 0.00 0.00 39.48 38.19 2wks n PHE 80 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2wks h SER 81 N 0.00 0.51 1.10 4.37 0.02 -0.83 0.15 113.55 118.87 2wks h SER 81 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 2wks h SER 81 Cb 0.52 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2wks h SER 81 CO 0.00 0.32 -0.94 0.45 -1.14 0.00 0.00 176.83 175.52 2wks h HIS 82 N 0.57 0.00 0.00 3.45 3.86 -1.70 0.14 115.15 121.47 2wks h HIS 82 Ca 0.28 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 2wks h HIS 82 Cb 0.35 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 2wks h HIS 82 CO -0.00 0.37 -1.16 0.25 0.86 0.00 0.00 177.93 178.25 2wks n THR 83 N -2.95 0.09 -3.05 2.45 -2.24 -0.89 -4.56 114.28 103.14 2wks n THR 83 Ca -0.03 -0.09 -0.45 0.00 -2.27 0.00 0.00 64.05 61.21 2wks n THR 83 Cb 0.71 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.82 6.63 0.28 3.42 0.15 0.47 -4.80 113.70 117.04 2wks s SER 84 Ca -0.01 -2.17 -0.03 0.00 0.70 0.00 0.00 55.95 54.44 2wks s SER 84 Cb 0.01 -2.34 0.39 0.00 -1.71 0.00 0.00 66.02 62.37 2wks s SER 84 CO 0.12 -0.93 1.90 0.40 1.20 0.00 0.00 173.24 175.93 2wks h ILE 85 N 5.54 1.22 -0.28 6.45 2.04 -1.93 -2.59 117.51 127.96 2wks h ILE 85 Ca 0.11 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.45 2wks h ILE 85 Cb 1.03 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 2wks h ILE 85 CO 1.01 0.25 0.07 0.00 0.00 0.00 0.00 178.15 179.47 2wks h ALA 86 N 1.40 0.30 -0.68 1.87 0.00 -1.98 0.13 119.26 120.30 2wks h ALA 86 Ca 0.27 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2wks h ALA 86 Cb 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2wks h ALA 86 CO -0.04 -0.34 0.22 0.82 0.00 0.00 0.00 179.25 179.90 2wks h ILE 87 N 0.18 1.25 -0.66 0.00 2.04 -1.90 -1.63 117.51 116.78 2wks h ILE 87 Ca 0.13 -0.84 0.04 0.00 1.00 0.00 0.00 64.86 65.19 2wks h ILE 87 Cb 0.13 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 2wks h ILE 87 CO -0.16 0.33 0.39 0.00 0.00 0.00 0.00 178.15 178.71 2wks h ALA 88 N 1.24 0.87 -0.09 1.87 0.00 -0.89 0.99 119.26 123.25 2wks h ALA 88 Ca 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2wks h ALA 88 Cb 0.27 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2wks h ALA 88 CO -0.01 0.11 0.03 -0.44 0.00 0.00 0.00 179.25 178.94 2wks h ASP 89 N 0.74 0.13 -0.67 0.00 3.32 -0.30 -1.95 116.42 117.69 2wks h ASP 89 Ca 0.28 -0.19 0.13 0.00 0.02 0.00 0.00 57.03 57.27 2wks h ASP 89 Cb 0.10 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.52 2wks h ASP 89 CO -0.14 0.29 0.17 0.00 -1.72 0.00 0.00 179.24 177.84 2wks h ALA 90 N 0.85 0.85 -1.00 3.45 0.00 -0.68 -0.67 119.26 122.06 2wks h ALA 90 Ca 0.03 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2wks h ALA 90 Cb 0.20 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2wks h ALA 90 CO -0.00 -0.30 0.65 0.82 0.00 0.00 0.00 179.25 180.42 2wks h ILE 91 N 0.29 1.26 -0.06 0.00 2.04 -0.57 -2.20 117.51 118.27 2wks h ILE 91 Ca 0.36 -0.49 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 2wks h ILE 91 Cb 0.57 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2wks h ILE 91 CO -0.44 0.25 -0.33 0.24 0.00 0.00 0.00 178.15 177.87 2wks h MET 92 N 1.36 0.11 -0.21 2.37 2.86 -0.38 -2.71 114.93 118.32 2wks h MET 92 Ca 0.36 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2wks h MET 92 Cb -0.14 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.51 2wks h MET 92 CO -0.08 0.44 0.00 1.47 1.06 0.00 0.00 176.91 179.80 2wks n LEU 93 N -4.11 2.15 0.24 1.22 -0.00 -0.51 -4.23 117.00 111.76 2wks n LEU 93 Ca -0.02 -0.90 0.16 0.00 -0.00 0.00 0.00 56.01 55.26 2wks n LEU 93 Cb 0.40 -0.14 0.69 0.00 -0.00 0.00 0.00 43.42 44.37 2wks n LEU 93 CO 0.39 0.45 0.97 0.00 -0.00 0.00 0.00 177.39 179.21 2wks h ALA 94 N 4.19 1.00 -6.96 1.47 0.00 -1.07 -3.47 119.26 114.42 2wks h ALA 94 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2wks h ALA 94 Cb 0.63 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.18 2wks h ALA 94 CO 0.00 0.00 -0.91 0.41 0.00 0.00 0.00 179.25 178.75 2wks n GLY 95 N -0.13 -0.28 3.57 0.00 0.00 -1.26 -4.79 105.19 102.30 2wks n GLY 95 Ca 0.01 0.13 -0.10 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 -7.13 1.45 0.14 1.61 -2.85 -1.26 -5.12 119.74 106.58 2wks s LYS 96 Ca 0.39 -0.66 -0.31 0.00 -1.00 0.00 0.00 55.97 54.39 2wks s LYS 96 Cb -0.22 0.59 -0.10 0.00 -2.06 0.00 0.00 37.83 36.04 2wks s LYS 96 CO 0.98 -0.65 1.78 -2.14 0.10 0.00 0.00 175.35 175.42 2wks s PRO 97 N -3.81 4.14 -0.10 1.78 0.02 -1.26 -4.86 135.00 130.91 2wks s PRO 97 Ca 0.05 2.56 0.04 0.00 0.02 0.00 0.00 61.00 63.67 2wks s PRO 97 Cb -0.03 -3.47 -0.00 0.00 0.02 0.00 0.00 34.50 31.02 2wks s PRO 97 CO -0.06 -0.80 -0.23 0.08 -0.33 0.00 0.00 177.00 175.65 2wks s VAL 98 N 2.34 2.10 -0.15 3.83 1.01 -1.26 -0.47 120.40 127.80 2wks s VAL 98 Ca 0.78 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2wks s VAL 98 Cb -0.46 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2wks s VAL 98 CO 0.35 0.56 -0.14 -0.63 0.00 0.00 0.00 175.10 175.24 2wks s ILE 99 N 0.36 2.83 -0.07 2.22 1.01 0.13 -2.23 121.20 125.45 2wks s ILE 99 Ca -0.18 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 2wks s ILE 99 Cb -0.18 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 2wks s ILE 99 CO 0.08 0.51 0.39 -0.70 0.00 0.00 0.00 174.94 175.23 2wks s GLU 100 N 0.66 4.09 -0.00 2.79 2.12 -0.72 -0.69 118.70 126.95 2wks s GLU 100 Ca -0.07 0.34 0.06 0.00 0.36 0.00 0.00 54.97 55.66 2wks s GLU 100 Cb -0.16 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 2wks s GLU 100 CO 0.02 0.45 -0.20 0.08 -0.54 0.00 0.00 175.26 175.07 2wks s VAL 101 N -0.29 1.62 -0.04 3.70 1.01 0.26 -0.64 120.40 126.02 2wks s VAL 101 Ca 0.23 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2wks s VAL 101 Cb -0.15 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.87 2wks s VAL 101 CO 0.10 0.40 -0.10 -1.00 0.00 0.00 0.00 175.10 174.50 2wks s HIS 102 N -0.54 1.15 0.13 5.22 3.76 0.69 -4.15 115.29 121.55 2wks s HIS 102 Ca 0.08 -0.33 -0.19 0.00 -0.15 0.00 0.00 55.06 54.47 2wks s HIS 102 Cb -0.08 -0.83 -0.05 0.00 1.11 0.00 0.00 32.58 32.74 2wks s HIS 102 CO -0.00 -0.15 1.76 -0.07 -0.85 0.00 0.00 174.74 175.43 2wks h LEU 103 N 6.54 0.14-10.20 0.89 3.38 -1.86 -1.75 115.31 112.44 2wks h LEU 103 Ca -0.33 0.01 -0.46 0.00 0.09 0.00 0.00 57.88 57.19 2wks h LEU 103 Cb 1.17 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2wks h LEU 103 CO 0.48 0.11 -0.40 0.42 0.09 0.00 0.00 178.44 179.15 2wks s THR 104 N -6.18 5.18 -0.86 0.22 -4.23 -1.26 -1.70 115.64 106.81 2wks s THR 104 Ca -0.13 -0.93 -0.24 0.00 -1.18 0.00 0.00 61.69 59.21 2wks s THR 104 Cb 0.09 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 70.14 2wks s THR 104 CO 0.69 -0.35 1.31 0.21 -0.54 0.00 0.00 174.62 175.94 2wks s ASN 105 N -4.00 6.34 0.30 3.99 3.84 -1.26 -2.84 114.94 121.31 2wks s ASN 105 Ca 0.35 -1.05 0.24 0.00 0.21 0.00 0.00 52.86 52.61 2wks s ASN 105 Cb -0.09 -2.54 1.07 0.00 -0.55 0.00 0.00 41.25 39.14 2wks s ASN 105 CO 0.30 -1.60 1.72 0.16 -2.79 0.00 0.00 177.10 174.89 2wks h ILE 106 N 6.33 0.00 -0.08 -5.21 3.07 -1.92 0.16 117.51 119.86 2wks h ILE 106 Ca -0.04 -0.18 -0.04 0.00 1.55 0.00 0.00 64.86 66.14 2wks h ILE 106 Cb 1.03 0.86 -0.01 0.00 -0.27 0.00 0.00 36.82 38.44 2wks h ILE 106 CO 1.32 0.00 -0.14 1.56 -1.05 0.00 0.00 178.15 179.84 2wks h GLN 107 N 0.00 0.13 -0.58 0.16 1.08 -1.87 -3.23 115.11 110.80 2wks h GLN 107 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2wks h GLN 107 Cb 0.27 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2wks h GLN 107 CO 0.00 0.27 0.00 0.00 -0.95 0.00 0.00 178.83 178.15 2wks n ALA 108 N -2.50 3.88 -3.55 3.87 0.00 0.56 -4.94 120.51 117.84 2wks n ALA 108 Ca -0.01 -1.92 0.00 0.00 0.00 0.00 0.00 53.44 51.50 2wks n ALA 108 Cb 0.24 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.64 2.67 -1.22 0.00 1.74 -1.22 -5.05 116.66 114.22 2wks n ARG 109 Ca 0.28 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.99 2wks n ARG 109 Cb 1.20 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.68 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 -0.05 0.13 -0.21 5.56 4.71 -1.26 -4.83 120.64 124.69 2wks n GLU 110 Ca 0.00 0.06 -0.01 0.00 -0.01 0.00 0.00 57.16 57.20 2wks n GLU 110 Cb 0.00 -1.32 0.10 0.00 -1.01 0.00 0.00 31.44 29.21 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 -0.30 0.51 0.00 3.49 4.57 -1.96 -2.03 114.58 118.85 2wks h GLU 111 Ca -0.43 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2wks h GLU 111 Cb 1.38 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2wks h GLU 111 CO 0.39 0.34 0.00 1.97 -1.18 0.00 0.00 179.01 180.53 2wks n PHE 112 N -4.90 0.00 0.78 0.92 1.16 -1.26 -2.00 117.46 112.16 2wks n PHE 112 Ca 0.08 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.75 2wks n PHE 112 Cb 0.23 -0.48 -0.03 0.00 -1.61 0.00 0.00 39.48 37.58 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 -1.48 1.56 -0.02 3.97 1.74 -0.77 -4.60 116.66 117.06 2wks n ARG 113 Ca 0.01 -0.57 -0.16 0.00 -0.77 0.00 0.00 57.85 56.36 2wks n ARG 113 Cb 0.04 -1.31 -0.09 0.00 -1.02 0.00 0.00 32.46 30.08 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 1.29 0.54 -6.75 5.56 1.57 -1.41 -3.44 116.57 113.93 2wks h LYS 114 Ca 0.00 -0.46 -0.53 0.00 -1.87 0.00 0.00 60.65 57.79 2wks h LYS 114 Cb 0.53 0.10 0.07 0.00 0.08 0.00 0.00 32.23 33.01 2wks h LYS 114 CO 0.00 1.09 0.87 1.21 -0.57 0.00 0.00 179.45 182.05 2wks s ASN 115 N -6.75 6.46 -0.31 0.86 2.47 -1.26 -4.81 114.94 111.60 2wks s ASN 115 Ca -0.12 2.84 -0.01 0.00 0.42 0.00 0.00 52.86 55.99 2wks s ASN 115 Cb 0.06 -2.62 0.10 0.00 -1.45 0.00 0.00 41.25 37.33 2wks s ASN 115 CO 0.84 -0.86 0.09 -0.55 -3.72 0.00 0.00 177.10 172.90 2wks s SER 116 N 0.62 4.02 0.12 -4.21 0.15 -1.26 -4.18 113.70 108.96 2wks s SER 116 Ca 0.64 -1.62 -0.20 0.00 0.70 0.00 0.00 55.95 55.47 2wks s SER 116 Cb -0.46 -0.88 -0.05 0.00 -1.71 0.00 0.00 66.02 62.92 2wks s SER 116 CO 0.43 -0.41 1.73 1.88 1.20 0.00 0.00 173.24 178.07 2wks h TYR 117 N 8.08 0.03 -0.46 3.44 0.05 -0.95 -1.94 116.97 125.23 2wks h TYR 117 Ca -0.14 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 2wks h TYR 117 Cb 1.02 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.75 2wks h TYR 117 CO 0.36 0.00 0.27 1.79 -1.05 0.00 0.00 178.16 179.53 2wks h THR 118 N 0.09 1.15 -0.42 -2.88 1.35 -1.78 -2.81 112.91 107.61 2wks h THR 118 Ca 0.08 -0.37 0.03 0.00 -0.55 0.00 0.00 66.41 65.60 2wks h THR 118 Cb 0.08 0.57 -0.02 0.00 -1.73 0.00 0.00 68.15 67.05 2wks h THR 118 CO -0.12 0.16 0.28 1.23 -0.25 0.00 0.00 175.52 176.82 2wks h GLY 119 N 0.61 0.51 1.69 5.82 0.00 -1.77 -1.16 103.07 108.77 2wks h GLY 119 Ca 0.16 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 2wks h GLY 119 CO -0.03 0.16 -0.21 0.00 0.00 0.00 0.00 176.54 176.46 2wks h ALA 120 N 1.76 1.26 0.00 3.60 0.00 -1.10 -2.92 119.26 121.85 2wks h ALA 120 Ca 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wks h ALA 120 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wks h ALA 120 CO -0.04 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.70 2wks h ALA 121 N 1.45 1.00 -2.30 0.00 0.00 -1.09 -3.45 119.26 114.86 2wks h ALA 121 Ca 0.06 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.47 2wks h ALA 121 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.38 2wks h ALA 121 CO 0.04 0.00 0.32 0.00 0.00 0.00 0.00 179.25 179.61 2wks h GLY 123 N 0.35 0.21 -2.79 0.00 0.00 -1.74 -3.47 103.07 95.63 2wks h GLY 123 Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2wks h GLY 123 CO 0.62 0.14 0.22 -0.32 0.00 0.00 0.00 176.54 177.21 2wks s GLY 124 N -4.16 -0.50 0.00 4.60 0.00 -1.26 -5.10 107.32 100.91 2wks s GLY 124 Ca -0.05 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.01 2wks s GLY 124 CO 0.74 0.11 -0.01 0.14 0.00 0.00 0.00 173.10 174.08 2wks s VAL 125 N -3.77 0.08 -0.09 1.40 1.01 -1.26 -1.76 120.40 116.01 2wks s VAL 125 Ca 0.03 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2wks s VAL 125 Cb -0.02 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.27 2wks s VAL 125 CO -0.09 -0.09 -0.10 -0.63 0.00 0.00 0.00 175.10 174.20 2wks s ILE 126 N -0.32 1.06 0.01 2.22 1.01 0.18 -4.98 121.20 120.38 2wks s ILE 126 Ca -0.03 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.26 2wks s ILE 126 Cb -0.02 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 2wks s ILE 126 CO -0.00 0.36 -0.02 0.00 0.00 0.00 0.00 174.94 175.27 2wks s MET 127 N 1.25 0.20 0.00 2.79 0.23 -1.26 -0.22 119.30 122.29 2wks s MET 127 Ca -0.04 -0.22 0.00 0.00 -1.03 0.00 0.00 55.69 54.40 2wks s MET 127 Cb -0.14 -0.09 0.00 0.00 -1.53 0.00 0.00 34.83 33.07 2wks s MET 127 CO -0.03 0.02 0.00 0.41 -2.03 0.00 0.00 175.02 173.39 2wks n GLY 128 N 2.63 0.89 0.64 3.16 0.00 -0.66 -4.73 105.19 107.12 2wks n GLY 128 Ca -0.15 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.20 0.61 -4.99 1.61 3.01 -1.03 -4.68 117.46 109.78 2wks n PHE 129 Ca 0.00 -0.76 0.00 0.00 1.01 0.00 0.00 57.45 57.70 2wks n PHE 129 Cb 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 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 -0.35 0.96 0.38 1.37 0.00 -0.69 -2.92 105.19 103.94 2wks n GLY 130 Ca 0.16 -0.81 0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.83 1.61 0.11 -1.92 -1.24 132.00 129.73 2wks h PRO 131 Ca 0.00 0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.33 2wks h PRO 131 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 2wks h PRO 131 CO 0.00 0.00 0.58 1.25 -0.21 0.00 0.00 178.00 179.62 2wks h LEU 132 N 0.00 0.15 -1.54 2.35 5.85 -1.96 0.21 115.31 120.37 2wks h LEU 132 Ca 0.24 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.14 2wks h LEU 132 Cb 0.99 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 2wks h LEU 132 CO -0.00 0.06 0.54 1.23 -0.34 0.00 0.00 178.44 179.93 2wks h GLY 133 N 0.15 0.78 1.37 3.75 0.00 -1.28 -0.80 103.07 107.04 2wks h GLY 133 Ca 0.41 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.44 2wks h GLY 133 CO -0.07 0.04 -0.20 -0.97 0.00 0.00 0.00 176.54 175.35 2wks h TYR 134 N 0.43 0.82 -0.21 5.60 -1.99 -1.15 -1.23 116.97 119.25 2wks h TYR 134 Ca 0.41 -0.17 -0.16 0.00 2.00 0.00 0.00 58.73 60.81 2wks h TYR 134 Cb 0.95 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.47 2wks h TYR 134 CO -0.00 0.87 -0.51 -0.91 -0.00 0.00 0.00 178.16 177.60 2wks h ASN 135 N 0.65 0.63 -0.75 3.88 2.35 -1.29 -0.68 115.58 120.37 2wks h ASN 135 Ca 0.10 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.53 2wks h ASN 135 Cb 0.68 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.83 2wks h ASN 135 CO 0.05 1.03 0.50 0.24 -1.65 0.00 0.00 177.43 177.60 2wks h MET 136 N 0.45 0.98 -0.42 0.81 2.86 -1.10 0.11 114.93 118.62 2wks h MET 136 Ca 0.02 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 2wks h MET 136 Cb 1.05 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 2wks h MET 136 CO 0.10 0.65 -0.06 0.00 1.06 0.00 0.00 176.91 178.66 2wks h ALA 137 N 1.53 0.58 -0.01 6.32 0.00 -0.54 -1.56 119.26 125.59 2wks h ALA 137 Ca 0.28 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2wks h ALA 137 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2wks h ALA 137 CO -0.06 0.42 -0.11 -0.07 0.00 0.00 0.00 179.25 179.43 2wks h LEU 138 N 0.62 -0.31 -0.32 0.00 3.38 -0.66 0.93 115.31 118.94 2wks h LEU 138 Ca 0.11 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.20 2wks h LEU 138 Cb 0.57 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 2wks h LEU 138 CO 0.03 -0.15 -0.17 -0.03 0.09 0.00 0.00 178.44 178.20 2wks h MET 139 N -0.18 -0.13 -0.68 1.13 4.05 -0.62 -0.91 114.93 117.59 2wks h MET 139 Ca 0.04 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.43 2wks h MET 139 Cb 0.23 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 2wks h MET 139 CO -0.11 -0.09 0.25 0.00 0.23 0.00 0.00 176.91 177.19 2wks h ALA 140 N 1.08 0.88 -0.23 0.39 0.00 -1.10 -1.50 119.26 118.79 2wks h ALA 140 Ca 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wks h ALA 140 Cb 0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wks h ALA 140 CO -0.40 0.53 0.14 1.98 0.00 0.00 0.00 179.25 181.50 2wks h MET 141 N 0.98 0.32 -0.73 0.00 -1.53 -0.29 0.17 114.93 113.84 2wks h MET 141 Ca 0.22 -0.03 0.06 0.00 -3.44 0.00 0.00 59.70 56.52 2wks h MET 141 Cb 0.25 -0.07 -0.06 0.00 -0.55 0.00 0.00 31.60 31.17 2wks h MET 141 CO -0.01 0.25 0.42 0.28 0.14 0.00 0.00 176.91 177.99 2wks h VAL 142 N 0.29 0.98 -0.27 -5.77 2.07 -0.87 0.56 116.25 113.24 2wks h VAL 142 Ca 0.08 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 2wks h VAL 142 Cb 0.01 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 2wks h VAL 142 CO -0.02 0.14 -0.34 0.78 0.02 0.00 0.00 177.57 178.16 2wks h ASN 143 N 0.77 0.61 -0.40 0.57 2.35 -0.64 -0.56 115.58 118.27 2wks h ASN 143 Ca 0.33 -0.25 -0.15 0.00 -0.55 0.00 0.00 56.30 55.68 2wks h ASN 143 Cb 0.20 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2wks h ASN 143 CO -0.19 0.90 -0.34 0.40 -1.65 0.00 0.00 177.43 176.55 2wks h ILE 144 N 0.50 1.27 -0.07 2.81 2.04 -0.13 -1.76 117.51 122.16 2wks h ILE 144 Ca 0.06 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 2wks h ILE 144 Cb 0.82 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2wks h ILE 144 CO 0.07 0.51 -0.04 -0.07 0.00 0.00 0.00 178.15 178.62 2wks h LEU 145 N 0.77 0.16 -0.79 1.44 3.38 -0.84 -1.57 115.31 117.87 2wks h LEU 145 Ca 0.07 -0.41 0.18 0.00 0.09 0.00 0.00 57.88 57.81 2wks h LEU 145 Cb 0.93 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.52 2wks h LEU 145 CO 0.09 0.54 0.24 0.00 0.09 0.00 0.00 178.44 179.40 2wks h ALA 146 N 0.63 1.10 0.00 1.53 0.00 -1.06 -1.60 119.26 119.86 2wks h ALA 146 Ca 0.02 0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2wks h ALA 146 Cb 0.48 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2wks h ALA 146 CO 0.01 -0.33 -0.69 1.49 0.00 0.00 0.00 179.25 179.73 2wks h GLU 147 N 0.31 0.00 -0.51 0.00 4.81 -1.14 -0.75 114.58 117.30 2wks h GLU 147 Ca 0.46 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.57 2wks h GLU 147 Cb 0.82 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 2wks h GLU 147 CO -0.52 0.69 -0.14 0.52 -0.73 0.00 0.00 179.01 178.83 2wks h MET 148 N 0.00 0.99 0.00 1.92 2.86 -0.37 -3.10 114.93 117.23 2wks h MET 148 Ca -0.01 -0.38 -0.11 0.00 -2.06 0.00 0.00 59.70 57.14 2wks h MET 148 Cb 1.39 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.98 2wks h MET 148 CO 0.09 1.06 -0.99 0.87 1.06 0.00 0.00 176.91 179.00 2wks h LYS 149 N 0.87 0.00 0.10 1.72 1.57 -1.23 -3.16 116.57 116.45 2wks h LYS 149 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2wks h LYS 149 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2wks h LYS 149 CO 0.05 0.29 -0.05 0.00 -0.57 0.00 0.00 179.45 179.17 2wks h ALA 150 N 1.58 -0.14 -0.50 3.86 0.00 -1.16 -3.10 119.26 119.79 2wks h ALA 150 Ca -0.08 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.82 2wks h ALA 150 Cb 1.39 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 2wks h ALA 150 CO 0.04 -0.53 0.20 0.35 0.00 0.00 0.00 179.25 179.31 2wks h PHE 151 N -0.24 0.36 -0.48 0.00 -0.00 -1.64 -2.57 116.94 112.38 2wks h PHE 151 Ca -0.01 0.02 0.04 0.00 -0.00 0.00 0.00 57.97 58.02 2wks h PHE 151 Cb 0.19 -0.09 -0.06 0.00 -0.00 0.00 0.00 35.95 36.00 2wks h PHE 151 CO -0.04 0.14 -0.28 0.94 -0.00 0.00 0.00 178.31 179.07 2wks n GLN 152 N -4.97 -0.21 0.00 1.11 7.27 -1.18 -5.15 117.38 114.26 2wks n GLN 152 Ca 0.05 0.97 0.01 0.00 0.07 0.00 0.00 57.00 58.10 2wks n GLN 152 Cb 0.18 -1.44 0.04 0.00 2.41 0.00 0.00 30.24 31.44 2wks n GLN 152 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52