#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ppb n LEU 2 N 0.00 0.10 0.00 4.03 4.77 -1.26 -4.42 117.00 120.22 2ppb n LEU 2 Ca 0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2ppb n LEU 2 Cb 0.00 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2ppb n LEU 2 CO 0.00 -0.30 0.00 -0.67 -1.33 0.00 0.00 177.39 175.09 2ppb n ASP 3 N -2.92 0.00 0.08 -1.43 2.03 -1.26 -4.27 116.55 108.78 2ppb n ASP 3 Ca 0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.14 2ppb n ASP 3 Cb 0.25 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.51 2ppb n ASP 3 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2ppb h SER 4 N 0.00 0.41 0.20 1.67 0.87 -1.98 -2.98 113.55 111.75 2ppb h SER 4 Ca 0.00 -0.52 -0.30 0.00 -1.23 0.00 0.00 61.79 59.74 2ppb h SER 4 Cb 0.00 -0.13 0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2ppb h SER 4 CO 0.00 1.42 -1.29 0.11 -0.53 0.00 0.00 176.83 176.54 2ppb h LYS 5 N 0.07 0.58 -0.72 2.24 6.56 -1.95 -3.20 116.57 120.15 2ppb h LYS 5 Ca -0.21 -0.81 -0.04 0.00 -1.06 0.00 0.00 60.65 58.53 2ppb h LYS 5 Cb 2.01 0.28 -0.03 0.00 -0.57 0.00 0.00 32.23 33.91 2ppb h LYS 5 CO 0.18 1.37 0.31 1.25 -2.06 0.00 0.00 179.45 180.50 2ppb h LEU 6 N 0.24 0.97 -7.11 2.94 5.85 -1.74 -3.14 115.31 113.31 2ppb h LEU 6 Ca -0.20 -0.13 -0.50 0.00 0.84 0.00 0.00 57.88 57.89 2ppb h LEU 6 Cb 1.96 -0.25 0.04 0.00 0.37 0.00 0.00 40.66 42.78 2ppb h LEU 6 CO 0.24 0.85 1.61 1.17 -0.34 0.00 0.00 178.44 181.97 2ppb n LYS 7 N -4.30 1.14 -4.41 1.25 4.81 -1.13 -4.85 118.16 110.67 2ppb n LYS 7 Ca 0.07 -1.85 -0.26 0.00 -0.87 0.00 0.00 58.31 55.40 2ppb n LYS 7 Cb 0.17 -3.15 -0.11 0.00 0.02 0.00 0.00 35.03 31.95 2ppb n LYS 7 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ppb s ALA 8 N 8.05 2.45 -0.32 3.14 0.00 -1.19 -4.88 121.76 129.01 2ppb s ALA 8 Ca 0.65 -1.63 -0.37 0.00 0.00 0.00 0.00 51.96 50.60 2ppb s ALA 8 Cb 0.09 -0.30 -0.13 0.00 0.00 0.00 0.00 23.12 22.79 2ppb s ALA 8 CO 0.17 0.38 2.06 -2.30 0.00 0.00 0.00 175.76 176.07 2ppb n PRO 9 N 0.19 1.13 -2.35 0.00 -0.02 -1.26 -4.44 135.00 128.25 2ppb n PRO 9 Ca -0.12 0.35 -0.40 0.00 -2.02 0.00 0.00 63.50 61.31 2ppb n PRO 9 Cb 0.57 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 2ppb n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ppb s VAL 10 N 6.12 3.59 -0.40 -1.45 1.01 0.20 -4.80 120.40 124.66 2ppb s VAL 10 Ca 1.06 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 63.10 2ppb s VAL 10 Cb -0.93 -4.53 0.01 0.00 0.00 0.00 0.00 36.38 30.93 2ppb s VAL 10 CO 0.54 -1.47 1.32 0.12 0.00 0.00 0.00 175.10 175.61 2ppb s PHE 11 N 6.98 2.57 -0.06 5.22 5.36 -1.26 -3.74 117.98 133.06 2ppb s PHE 11 Ca 0.48 0.73 0.03 0.00 -0.96 0.00 0.00 56.93 57.21 2ppb s PHE 11 Cb -0.10 -4.25 -0.03 0.00 -0.34 0.00 0.00 43.02 38.31 2ppb s PHE 11 CO 0.18 -1.74 -0.12 -0.08 -1.46 0.00 0.00 175.22 172.00 2ppb s THR 12 N 4.97 3.29 0.07 0.12 -1.32 0.12 -5.01 115.64 117.86 2ppb s THR 12 Ca 0.57 -0.64 0.08 0.00 -1.21 0.00 0.00 61.69 60.49 2ppb s THR 12 Cb -0.13 -2.31 -0.03 0.00 -1.51 0.00 0.00 72.50 68.52 2ppb s THR 12 CO 0.30 0.59 -0.21 -0.69 -2.21 0.00 0.00 174.62 172.40 2ppb s VAL 13 N -0.74 1.71 -0.33 5.08 1.01 -1.26 -1.87 120.40 124.00 2ppb s VAL 13 Ca 0.11 -1.33 -0.00 0.00 0.00 0.00 0.00 61.98 60.76 2ppb s VAL 13 Cb -0.11 -1.51 0.13 0.00 0.00 0.00 0.00 36.38 34.89 2ppb s VAL 13 CO 0.01 0.12 0.25 -0.13 0.00 0.00 0.00 175.10 175.35 2ppb s ARG 14 N -1.44 0.43 -0.10 2.72 0.52 -1.04 -5.04 118.95 115.00 2ppb s ARG 14 Ca 0.07 -0.75 0.01 0.00 -0.52 0.00 0.00 55.73 54.54 2ppb s ARG 14 Cb -0.09 -0.98 0.02 0.00 0.52 0.00 0.00 34.95 34.42 2ppb s ARG 14 CO 0.03 -1.12 -0.13 -0.08 0.02 0.00 0.00 175.30 174.02 2ppb s THR 15 N 1.70 1.29 -0.23 0.02 -1.32 -1.26 -0.98 115.64 114.86 2ppb s THR 15 Ca 0.14 -0.52 -0.05 0.00 -1.21 0.00 0.00 61.69 60.04 2ppb s THR 15 Cb -0.17 -1.20 -0.02 0.00 -1.51 0.00 0.00 72.50 69.60 2ppb s THR 15 CO -0.17 0.40 0.00 -1.58 -2.21 0.00 0.00 174.62 171.06 2ppb s GLN 16 N 1.03 3.50 2.45 7.08 -0.44 -1.10 -5.00 119.66 127.18 2ppb s GLN 16 Ca -0.07 -0.56 0.00 0.00 -2.50 0.00 0.00 55.36 52.23 2ppb s GLN 16 Cb -0.15 -3.13 0.00 0.00 -1.64 0.00 0.00 33.01 28.10 2ppb s GLN 16 CO -0.01 -0.17 0.00 0.41 0.50 0.00 0.00 175.29 176.02 2ppb n GLY 17 N 4.77 -0.21 0.55 2.59 0.00 -1.26 -3.39 105.19 108.24 2ppb n GLY 17 Ca -0.17 -1.03 0.05 0.00 0.00 0.00 0.00 46.02 44.87 2ppb n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppb n ARG 18 N -0.24 2.41 -0.11 1.61 1.74 -1.26 -4.62 116.66 116.20 2ppb n ARG 18 Ca 0.00 -1.84 -0.17 0.00 -0.77 0.00 0.00 57.85 55.07 2ppb n ARG 18 Cb 0.00 -1.24 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 2ppb n ARG 18 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ppb n GLU 19 N 0.46 0.55 -4.08 5.56 1.02 -1.26 -3.92 120.64 118.97 2ppb n GLU 19 Ca 0.10 0.29 -0.30 0.00 -0.02 0.00 0.00 57.16 57.23 2ppb n GLU 19 Cb 0.38 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 2ppb n GLU 19 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2ppb s TYR 20 N -2.65 3.11 -0.30 -0.32 6.04 -1.22 0.48 117.35 122.49 2ppb s TYR 20 Ca -0.31 0.03 -0.07 0.00 0.04 0.00 0.00 57.07 56.77 2ppb s TYR 20 Cb 0.08 -1.58 0.19 0.00 -1.04 0.00 0.00 41.96 39.60 2ppb s TYR 20 CO 0.44 0.51 0.85 0.20 -1.54 0.00 0.00 175.55 176.01 2ppb s GLY 21 N -2.39 -0.76 0.28 8.97 0.00 -0.93 -2.70 107.32 109.79 2ppb s GLY 21 Ca 0.28 2.16 -0.21 0.00 0.00 0.00 0.00 44.72 46.94 2ppb s GLY 21 CO 0.21 3.72 0.81 -0.54 0.00 0.00 0.00 173.10 177.30 2ppb s GLU 22 N 2.91 4.33 -0.20 2.90 2.02 -0.16 -2.27 118.70 128.23 2ppb s GLU 22 Ca 0.12 1.01 -0.03 0.00 0.02 0.00 0.00 54.97 56.08 2ppb s GLU 22 Cb -0.10 -2.75 0.06 0.00 0.10 0.00 0.00 34.13 31.44 2ppb s GLU 22 CO -0.18 0.30 0.06 -0.06 0.02 0.00 0.00 175.26 175.40 2ppb s PHE 23 N -1.65 0.82 -0.11 1.61 0.08 -0.71 -2.49 117.98 115.53 2ppb s PHE 23 Ca 0.48 -0.77 -0.05 0.00 0.12 0.00 0.00 56.93 56.71 2ppb s PHE 23 Cb -0.16 -0.97 -0.04 0.00 -0.57 0.00 0.00 43.02 41.28 2ppb s PHE 23 CO 0.21 -0.61 0.10 0.08 -0.10 0.00 0.00 175.22 174.89 2ppb s VAL 24 N 1.93 5.11 -0.22 -0.44 1.01 -0.78 -1.06 120.40 125.96 2ppb s VAL 24 Ca 0.01 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 2ppb s VAL 24 Cb -0.17 -3.21 0.11 0.00 0.00 0.00 0.00 36.38 33.11 2ppb s VAL 24 CO -0.10 0.61 0.34 -0.22 0.00 0.00 0.00 175.10 175.73 2ppb s LEU 25 N -1.01 -0.51 0.11 3.92 2.96 -0.36 -0.71 118.68 123.09 2ppb s LEU 25 Ca 0.15 0.32 -0.13 0.00 -0.22 0.00 0.00 54.13 54.24 2ppb s LEU 25 Cb -0.12 0.98 0.02 0.00 0.50 0.00 0.00 46.19 47.57 2ppb s LEU 25 CO 0.04 -0.29 0.32 -0.70 -1.32 0.00 0.00 176.35 174.40 2ppb s GLU 26 N 2.50 0.98 0.55 1.98 -6.30 -1.24 -2.46 118.70 114.71 2ppb s GLU 26 Ca 0.08 -0.79 -0.06 0.00 -2.50 0.00 0.00 54.97 51.70 2ppb s GLU 26 Cb -0.15 0.42 -0.01 0.00 0.00 0.00 0.00 34.13 34.39 2ppb s GLU 26 CO -0.14 -0.36 0.87 -2.14 0.02 0.00 0.00 175.26 173.51 2ppb s PRO 27 N -3.78 3.22 0.07 4.30 0.02 -1.26 0.61 135.00 138.17 2ppb s PRO 27 Ca 0.03 0.15 0.05 0.00 0.02 0.00 0.00 61.00 61.25 2ppb s PRO 27 Cb 0.03 -2.29 -0.03 0.00 0.02 0.00 0.00 34.50 32.23 2ppb s PRO 27 CO -0.11 -0.50 -0.13 -0.51 -0.33 0.00 0.00 177.00 175.41 2ppb s LEU 28 N -4.92 2.28 0.00 -5.54 1.43 -0.75 -4.18 118.68 107.01 2ppb s LEU 28 Ca 0.51 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2ppb s LEU 28 Cb -0.10 -0.46 0.00 0.00 0.03 0.00 0.00 46.19 45.65 2ppb s LEU 28 CO 0.46 -0.10 0.00 1.21 0.23 0.00 0.00 176.35 178.15 2ppb n GLU 29 N 1.28 2.25 -3.35 1.70 0.00 -1.26 -2.57 120.64 118.68 2ppb n GLU 29 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.56 2ppb n GLU 29 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.91 2ppb n GLU 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2ppb s ARG 30 N 0.00 4.13 -1.41 5.31 3.52 -1.26 -3.29 118.95 125.96 2ppb s ARG 30 Ca 0.00 0.21 -0.08 0.00 -0.13 0.00 0.00 55.73 55.73 2ppb s ARG 30 Cb 0.00 -3.57 0.04 0.00 -1.56 0.00 0.00 34.95 29.85 2ppb s ARG 30 CO 0.00 -0.13 0.94 0.41 -0.81 0.00 0.00 175.30 175.71 2ppb n GLY 31 N 4.11 -0.43 0.07 8.12 0.00 -1.26 -4.91 105.19 110.89 2ppb n GLY 31 Ca -0.07 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 2ppb n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ppb n PHE 32 N -4.58 0.00 -0.36 1.61 0.99 -1.26 -3.74 117.46 110.12 2ppb n PHE 32 Ca -0.09 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.39 2ppb n PHE 32 Cb 0.59 -0.73 0.19 0.00 -1.00 0.00 0.00 39.48 38.53 2ppb n PHE 32 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 2ppb h GLY 33 N 3.14 1.50 1.01 1.37 0.00 -1.89 0.50 103.07 108.70 2ppb h GLY 33 Ca -0.37 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.38 2ppb h GLY 33 CO 0.02 0.32 -0.27 -2.08 0.00 0.00 0.00 176.54 174.53 2ppb h VAL 34 N 1.14 1.29 0.00 4.60 2.07 -1.97 0.22 116.25 123.60 2ppb h VAL 34 Ca 0.43 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 2ppb h VAL 34 Cb 0.20 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2ppb h VAL 34 CO -0.17 0.47 -0.13 0.74 0.02 0.00 0.00 177.57 178.49 2ppb h THR 35 N 0.54 1.02 0.04 2.57 2.02 -1.37 -2.48 112.91 115.26 2ppb h THR 35 Ca 0.06 -0.46 -0.37 0.00 0.77 0.00 0.00 66.41 66.41 2ppb h THR 35 Cb 0.84 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 68.46 2ppb h THR 35 CO 0.07 0.13 -2.14 0.18 0.37 0.00 0.00 175.52 174.13 2ppb n LEU 36 N -4.28 2.48 -0.14 2.58 4.77 0.07 -4.35 117.00 118.14 2ppb n LEU 36 Ca -0.03 0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 56.04 2ppb n LEU 36 Cb 0.21 -0.97 0.01 0.00 -2.33 0.00 0.00 43.42 40.34 2ppb n LEU 36 CO 0.35 0.73 1.04 1.23 -1.33 0.00 0.00 177.39 179.41 2ppb h GLY 37 N 0.62 0.61 0.85 -0.72 0.00 -0.54 -2.81 103.07 101.08 2ppb h GLY 37 Ca -0.52 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 2ppb h GLY 37 CO -0.12 0.20 -0.03 -0.57 0.00 0.00 0.00 176.54 176.02 2ppb h ASN 38 N 0.56 -0.06 0.15 0.19 -0.00 -1.66 -1.61 115.58 113.14 2ppb h ASN 38 Ca 0.16 -0.14 0.02 0.00 -0.00 0.00 0.00 56.30 56.34 2ppb h ASN 38 Cb -0.04 0.02 -0.03 0.00 -0.00 0.00 0.00 38.32 38.27 2ppb h ASN 38 CO -0.05 0.10 -0.27 -0.65 -0.00 0.00 0.00 177.43 176.56 2ppb h PRO 39 N -0.22 -0.48 -0.94 6.67 0.11 -1.75 -0.26 132.00 135.13 2ppb h PRO 39 Ca -0.01 0.03 0.17 0.00 0.11 0.00 0.00 66.00 66.30 2ppb h PRO 39 Cb 0.20 0.11 -0.08 0.00 0.11 0.00 0.00 31.00 31.34 2ppb h PRO 39 CO 0.01 -0.32 0.60 -0.07 -0.21 0.00 0.00 178.00 178.01 2ppb h LEU 40 N -0.50 0.66 -0.03 2.35 3.38 -1.52 -0.09 115.31 119.56 2ppb h LEU 40 Ca 0.02 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2ppb h LEU 40 Cb 0.51 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2ppb h LEU 40 CO -0.14 0.30 0.01 -0.09 0.09 0.00 0.00 178.44 178.61 2ppb h ARG 41 N 0.68 0.05 -0.04 1.13 1.12 -0.24 0.98 114.38 118.06 2ppb h ARG 41 Ca 0.49 -0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.36 2ppb h ARG 41 Cb 0.85 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.80 2ppb h ARG 41 CO -0.25 0.20 0.03 0.00 -3.11 0.00 0.00 179.97 176.85 2ppb h ARG 42 N -0.11 0.00 0.05 0.20 3.08 0.44 -2.63 114.38 115.41 2ppb h ARG 42 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ppb h ARG 42 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2ppb h ARG 42 CO -0.00 0.00 -0.02 0.82 -1.07 0.00 0.00 179.97 179.70 2ppb h ILE 43 N 0.00 1.07 -0.87 2.04 1.08 -0.67 -3.15 117.51 117.01 2ppb h ILE 43 Ca 0.02 -1.61 0.25 0.00 -0.39 0.00 0.00 64.86 63.13 2ppb h ILE 43 Cb 0.08 1.95 -0.03 0.00 -3.07 0.00 0.00 36.82 35.75 2ppb h ILE 43 CO -0.00 0.34 0.69 -0.07 -0.69 0.00 0.00 178.15 178.41 2ppb h LEU 44 N -0.94 0.00 0.11 1.44 3.38 -0.48 0.12 115.31 118.94 2ppb h LEU 44 Ca -0.01 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2ppb h LEU 44 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2ppb h LEU 44 CO 0.01 0.00 -2.05 0.18 0.09 0.00 0.00 178.44 176.67 2ppb n LEU 45 N -4.06 2.67 -0.10 1.67 4.32 -1.02 -4.42 117.00 116.06 2ppb n LEU 45 Ca 0.18 0.17 -0.18 0.00 -0.02 0.00 0.00 56.01 56.16 2ppb n LEU 45 Cb 0.99 -1.09 -0.09 0.00 -1.62 0.00 0.00 43.42 41.62 2ppb n LEU 45 CO 0.36 0.85 -0.59 -1.54 -1.22 0.00 0.00 177.39 175.25 2ppb n SER 46 N -3.48 1.86 0.16 -1.43 3.41 -0.84 -4.71 113.62 108.60 2ppb n SER 46 Ca -0.34 0.46 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 2ppb n SER 46 Cb 1.03 -0.92 -0.08 0.00 -0.26 0.00 0.00 64.21 63.98 2ppb n SER 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ppb h SER 47 N -1.00 -0.36 -0.79 4.04 0.02 -1.01 -3.37 113.55 111.08 2ppb h SER 47 Ca -0.29 -0.17 -0.75 0.00 -0.84 0.00 0.00 61.79 59.74 2ppb h SER 47 Cb 1.14 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2ppb h SER 47 CO -0.18 -0.00 1.17 -0.38 -1.14 0.00 0.00 176.83 176.30 2ppb n ILE 48 N -5.14 0.12 -2.20 3.27 5.41 -1.22 -4.84 119.36 114.77 2ppb n ILE 48 Ca -0.10 -0.09 -0.33 0.00 1.00 0.00 0.00 62.75 63.24 2ppb n ILE 48 Cb 0.26 -0.99 -0.00 0.00 -0.71 0.00 0.00 39.64 38.20 2ppb n ILE 48 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2ppb s PRO 49 N 5.10 3.43 0.00 0.38 0.04 -1.26 -4.45 135.00 138.24 2ppb s PRO 49 Ca 1.10 1.30 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2ppb s PRO 49 Cb -1.22 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2ppb s PRO 49 CO 0.63 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.35 2ppb n GLY 50 N -0.63 4.76 3.01 0.56 0.00 0.82 -4.65 105.19 109.07 2ppb n GLY 50 Ca 0.09 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 2ppb n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ppb s THR 51 N 1.29 0.10 -0.11 2.61 -4.23 -1.26 -2.00 115.64 112.04 2ppb s THR 51 Ca 0.00 -0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 59.42 2ppb s THR 51 Cb 0.00 -0.29 0.11 0.00 1.34 0.00 0.00 72.50 73.65 2ppb s THR 51 CO 0.00 -0.44 0.88 0.00 -0.54 0.00 0.00 174.62 174.52 2ppb s ALA 52 N -1.35 -1.86 -0.05 3.99 0.00 -1.14 -4.48 121.76 116.87 2ppb s ALA 52 Ca -0.15 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 2ppb s ALA 52 Cb -0.09 -0.36 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 2ppb s ALA 52 CO -0.00 -0.37 1.78 0.08 0.00 0.00 0.00 175.76 177.25 2ppb s VAL 53 N -1.35 3.39 -0.12 0.00 1.01 -1.26 -2.94 120.40 119.12 2ppb s VAL 53 Ca -0.04 0.46 0.19 0.00 0.00 0.00 0.00 61.98 62.59 2ppb s VAL 53 Cb -0.00 -3.32 -0.24 0.00 0.00 0.00 0.00 36.38 32.82 2ppb s VAL 53 CO 0.03 -0.06 0.45 0.41 0.00 0.00 0.00 175.10 175.93 2ppb n THR 54 N 5.72 0.88 -3.50 3.92 -1.04 -1.00 -4.54 114.28 114.72 2ppb n THR 54 Ca 0.19 -0.69 -0.10 0.00 -2.04 0.00 0.00 64.05 61.41 2ppb n THR 54 Cb 0.43 -0.41 -0.02 0.00 -1.82 0.00 0.00 70.33 68.51 2ppb n THR 54 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2ppb s SER 55 N -5.28 -0.47 0.01 8.00 0.15 -1.25 -2.26 113.70 112.59 2ppb s SER 55 Ca -0.07 -0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.43 2ppb s SER 55 Cb 0.09 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2ppb s SER 55 CO 0.85 -0.91 0.15 -0.69 1.20 0.00 0.00 173.24 173.84 2ppb s VAL 56 N -3.57 0.09 -0.23 4.45 1.01 -0.86 -0.32 120.40 120.97 2ppb s VAL 56 Ca 0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2ppb s VAL 56 Cb -0.01 -0.52 0.08 0.00 0.00 0.00 0.00 36.38 35.93 2ppb s VAL 56 CO -0.09 -0.40 0.13 -0.47 0.00 0.00 0.00 175.10 174.26 2ppb s TYR 57 N -1.58 0.16 0.20 5.22 5.04 -0.57 -1.16 117.35 124.66 2ppb s TYR 57 Ca -0.13 -0.47 -0.28 0.00 -2.44 0.00 0.00 57.07 53.75 2ppb s TYR 57 Cb -0.06 -0.72 -0.08 0.00 0.35 0.00 0.00 41.96 41.44 2ppb s TYR 57 CO 0.01 -0.66 0.87 0.42 -1.34 0.00 0.00 175.55 174.84 2ppb s ILE 58 N 2.16 4.22 0.06 3.14 -1.09 -1.26 -2.11 121.20 126.31 2ppb s ILE 58 Ca 0.06 1.92 -0.25 0.00 -2.23 0.00 0.00 60.65 60.15 2ppb s ILE 58 Cb -0.16 -4.25 -0.17 0.00 -1.58 0.00 0.00 42.46 36.31 2ppb s ILE 58 CO -0.21 0.50 1.60 -0.33 -1.23 0.00 0.00 174.94 175.27 2ppb h GLU 59 N 4.28 -0.12 -0.00 2.79 4.39 -1.68 -3.08 114.58 121.15 2ppb h GLU 59 Ca -0.46 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2ppb h GLU 59 Cb 1.20 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2ppb h GLU 59 CO 0.67 0.03 -0.36 -3.47 -1.16 0.00 0.00 179.01 174.72 2ppb n ASP 60 N -5.09 0.55 -4.79 1.42 -0.08 -1.26 -4.88 116.55 102.41 2ppb n ASP 60 Ca -0.08 -0.32 -0.39 0.00 -1.51 0.00 0.00 54.79 52.49 2ppb n ASP 60 Cb 0.12 0.12 -0.06 0.00 2.34 0.00 0.00 41.12 43.64 2ppb n ASP 60 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2ppb s VAL 61 N -2.85 4.52 -0.19 5.18 1.01 -1.17 -4.99 120.40 121.91 2ppb s VAL 61 Ca 0.16 1.50 -0.05 0.00 0.00 0.00 0.00 61.98 63.58 2ppb s VAL 61 Cb 0.18 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 2ppb s VAL 61 CO 0.63 0.53 -0.21 0.00 0.00 0.00 0.00 175.10 176.04 2ppb n LEU 62 N 1.62 1.99 -4.75 3.92 -0.00 -1.26 -4.65 117.00 113.86 2ppb n LEU 62 Ca -0.07 0.11 -0.27 0.00 -0.00 0.00 0.00 56.01 55.77 2ppb n LEU 62 Cb 0.50 -0.59 -0.07 0.00 -0.00 0.00 0.00 43.42 43.26 2ppb n LEU 62 CO 0.44 0.56 -0.16 -1.38 -0.00 0.00 0.00 177.39 176.84 2ppb s HIS 63 N -2.35 2.29 -0.18 1.47 -3.43 -1.26 -4.70 115.29 107.12 2ppb s HIS 63 Ca -0.26 -0.71 0.26 0.00 -0.80 0.00 0.00 55.06 53.55 2ppb s HIS 63 Cb 0.09 -1.86 0.73 0.00 -1.43 0.00 0.00 32.58 30.11 2ppb s HIS 63 CO 0.37 0.13 1.75 1.49 -2.00 0.00 0.00 174.74 176.48 2ppb h GLU 64 N 1.36 0.00 -0.94 -0.38 4.81 -1.96 -3.29 114.58 114.18 2ppb h GLU 64 Ca -0.42 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.33 2ppb h GLU 64 Cb 1.27 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 30.37 2ppb h GLU 64 CO 0.71 0.06 0.58 1.19 -0.73 0.00 0.00 179.01 180.82 2ppb n PHE 65 N -3.13 2.91 -3.27 0.92 3.01 -1.26 -3.32 117.46 113.32 2ppb n PHE 65 Ca 0.02 -1.78 -0.18 0.00 1.01 0.00 0.00 57.45 56.52 2ppb n PHE 65 Cb 0.46 -0.90 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 2ppb n PHE 65 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2ppb s SER 66 N -1.35 5.84 -0.05 4.37 0.01 -1.24 -4.97 113.70 116.30 2ppb s SER 66 Ca 0.56 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.59 2ppb s SER 66 Cb 0.47 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.70 2ppb s SER 66 CO 0.11 -0.58 -0.16 0.28 0.41 0.00 0.00 173.24 173.30 2ppb s THR 67 N -2.26 1.40 -0.20 1.44 -1.32 -1.26 -1.49 115.64 111.95 2ppb s THR 67 Ca 0.49 -0.68 -0.14 0.00 -1.21 0.00 0.00 61.69 60.15 2ppb s THR 67 Cb -0.10 -1.22 -0.04 0.00 -1.51 0.00 0.00 72.50 69.63 2ppb s THR 67 CO 0.32 0.41 0.32 -0.63 -2.21 0.00 0.00 174.62 172.83 2ppb s ILE 68 N 0.21 5.26 0.76 5.08 1.01 -1.26 -5.00 121.20 127.26 2ppb s ILE 68 Ca -0.08 0.56 -0.15 0.00 0.00 0.00 0.00 60.65 60.99 2ppb s ILE 68 Cb -0.13 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 38.72 2ppb s ILE 68 CO 0.03 0.31 1.12 -2.65 0.00 0.00 0.00 174.94 173.75 2ppb n PRO 69 N 4.17 0.44 -0.53 2.79 -0.02 -1.26 -1.72 135.00 138.88 2ppb n PRO 69 Ca -0.11 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2ppb n PRO 69 Cb 0.51 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2ppb n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppb n GLY 70 N 0.82 0.84 3.08 -1.23 0.00 -1.26 -4.50 105.19 102.94 2ppb n GLY 70 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2ppb n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 71 N -2.40 2.05 0.09 1.61 1.01 -0.70 0.06 120.40 122.12 2ppb s VAL 71 Ca 0.00 -1.26 -0.34 0.00 0.00 0.00 0.00 61.98 60.38 2ppb s VAL 71 Cb 0.00 -2.03 -0.16 0.00 0.00 0.00 0.00 36.38 34.20 2ppb s VAL 71 CO 0.00 0.23 1.59 0.50 0.00 0.00 0.00 175.10 177.42 2ppb h LYS 72 N 7.87 -0.88 -7.13 2.72 3.11 -1.78 -3.42 116.57 117.06 2ppb h LYS 72 Ca -0.31 0.06 -0.54 0.00 -2.81 0.00 0.00 60.65 57.05 2ppb h LYS 72 Cb 1.09 0.20 0.18 0.00 -1.00 0.00 0.00 32.23 32.70 2ppb h LYS 72 CO 0.53 -0.59 0.29 -0.85 -2.81 0.00 0.00 179.45 176.02 2ppb n GLU 73 N -5.53 0.35 -3.98 1.90 0.00 -1.26 -4.99 120.64 107.12 2ppb n GLU 73 Ca -0.12 0.19 -0.25 0.00 0.00 0.00 0.00 57.16 56.98 2ppb n GLU 73 Cb 0.42 -2.39 -0.03 0.00 0.00 0.00 0.00 31.44 29.43 2ppb n GLU 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 2ppb s ASP 74 N -1.93 6.15 0.34 -1.84 1.47 -1.26 -4.51 116.67 115.09 2ppb s ASP 74 Ca 0.74 0.08 0.14 0.00 1.18 0.00 0.00 52.55 54.70 2ppb s ASP 74 Cb -0.31 -1.79 1.11 0.00 -0.34 0.00 0.00 42.92 41.58 2ppb s ASP 74 CO 0.50 0.03 1.63 0.58 0.68 0.00 0.00 175.17 178.59 2ppb h VAL 75 N 1.63 0.18 -0.39 2.11 2.07 -1.51 0.20 116.25 120.54 2ppb h VAL 75 Ca -0.49 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2ppb h VAL 75 Cb 1.20 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2ppb h VAL 75 CO 0.66 0.03 0.10 0.58 0.02 0.00 0.00 177.57 178.96 2ppb h VAL 76 N 0.18 1.22 -0.32 2.57 2.07 -1.78 0.58 116.25 120.77 2ppb h VAL 76 Ca 0.74 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 2ppb h VAL 76 Cb 1.77 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 2ppb h VAL 76 CO -0.69 0.26 -0.10 -0.33 0.02 0.00 0.00 177.57 176.73 2ppb h GLU 77 N 0.48 0.54 0.05 1.57 5.08 -1.02 -1.62 114.58 119.66 2ppb h GLU 77 Ca 0.12 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2ppb h GLU 77 Cb 0.30 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2ppb h GLU 77 CO 0.00 0.64 -0.03 0.82 -1.00 0.00 0.00 179.01 179.45 2ppb h ILE 78 N 0.51 1.27 -0.28 3.13 2.04 -0.95 -2.15 117.51 121.08 2ppb h ILE 78 Ca 0.10 -1.24 0.08 0.00 1.00 0.00 0.00 64.86 64.80 2ppb h ILE 78 Cb 0.48 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 2ppb h ILE 78 CO 0.03 0.30 0.20 0.16 0.00 0.00 0.00 178.15 178.84 2ppb h ILE 79 N -0.64 0.87 0.27 -0.67 -0.00 -0.84 -0.89 117.51 115.60 2ppb h ILE 79 Ca -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 64.86 64.83 2ppb h ILE 79 Cb 0.55 0.85 0.00 0.00 -0.00 0.00 0.00 36.82 38.22 2ppb h ILE 79 CO 0.01 0.00 -0.13 0.25 -0.00 0.00 0.00 178.15 178.29 2ppb h LEU 80 N 0.02 -0.31 -2.77 0.16 6.46 -1.15 -2.64 115.31 115.08 2ppb h LEU 80 Ca 0.13 -0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2ppb h LEU 80 Cb 0.52 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 2ppb h LEU 80 CO -0.00 -0.05 -0.00 0.78 -0.62 0.00 0.00 178.44 178.54 2ppb h ASN 81 N -0.57 0.00 0.48 1.25 -0.26 -0.60 0.43 115.58 116.32 2ppb h ASN 81 Ca -0.04 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.54 2ppb h ASN 81 Cb 0.41 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.66 2ppb h ASN 81 CO 0.06 0.00 -0.71 -0.07 -1.06 0.00 0.00 177.43 175.66 2ppb h LEU 82 N 0.00 0.23 -1.99 1.61 3.38 -0.84 -2.67 115.31 115.03 2ppb h LEU 82 Ca -0.00 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.86 2ppb h LEU 82 Cb 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2ppb h LEU 82 CO 0.00 0.86 0.12 0.11 0.09 0.00 0.00 178.44 179.62 2ppb h LYS 83 N 0.13 0.02 0.00 1.13 1.57 -0.72 0.10 116.57 118.79 2ppb h LYS 83 Ca -0.02 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2ppb h LYS 83 Cb 1.26 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 2ppb h LYS 83 CO 0.11 0.01 -0.11 1.49 -0.57 0.00 0.00 179.45 180.38 2ppb h GLU 84 N 0.02 0.00 -6.42 3.15 4.57 -1.46 -3.45 114.58 111.00 2ppb h GLU 84 Ca 0.08 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.72 2ppb h GLU 84 Cb 0.30 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.91 2ppb h GLU 84 CO -0.00 0.11 1.00 -1.17 -1.18 0.00 0.00 179.01 177.77 2ppb s LEU 85 N -6.47 4.36 -0.33 1.64 2.96 0.35 -4.98 118.68 116.22 2ppb s LEU 85 Ca 0.01 2.43 -0.03 0.00 -0.22 0.00 0.00 54.13 56.32 2ppb s LEU 85 Cb 0.09 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.28 2ppb s LEU 85 CO 0.59 -0.88 0.06 0.54 -1.32 0.00 0.00 176.35 175.34 2ppb s VAL 86 N 2.86 3.29 0.23 1.68 0.11 -1.26 -4.68 120.40 122.63 2ppb s VAL 86 Ca 0.73 -1.37 0.06 0.00 -2.93 0.00 0.00 61.98 58.47 2ppb s VAL 86 Cb -0.38 -2.92 -0.03 0.00 -1.53 0.00 0.00 36.38 31.51 2ppb s VAL 86 CO 0.32 -0.19 0.24 0.68 -3.33 0.00 0.00 175.10 172.82 2ppb s VAL 87 N 1.29 4.76 -0.24 2.04 -7.23 -1.26 -2.98 120.40 116.79 2ppb s VAL 87 Ca -0.03 -1.19 -0.04 0.00 -1.81 0.00 0.00 61.98 58.92 2ppb s VAL 87 Cb -0.20 -3.55 0.08 0.00 0.56 0.00 0.00 36.38 33.27 2ppb s VAL 87 CO -0.00 -0.30 0.10 -0.60 -0.31 0.00 0.00 175.10 173.99 2ppb s ARG 88 N -3.75 0.29 0.43 4.82 3.52 0.58 -4.61 118.95 120.23 2ppb s ARG 88 Ca 0.33 -0.42 -0.03 0.00 -0.13 0.00 0.00 55.73 55.48 2ppb s ARG 88 Cb -0.09 -1.65 -0.03 0.00 -1.56 0.00 0.00 34.95 31.62 2ppb s ARG 88 CO 0.26 -0.83 0.70 -0.06 -0.81 0.00 0.00 175.30 174.56 2ppb s PHE 89 N 2.01 3.52 -0.35 5.12 0.08 -1.26 -1.82 117.98 125.29 2ppb s PHE 89 Ca 0.05 0.62 0.22 0.00 0.12 0.00 0.00 56.93 57.94 2ppb s PHE 89 Cb -0.16 -2.16 -0.30 0.00 -0.57 0.00 0.00 43.02 39.82 2ppb s PHE 89 CO -0.21 -0.15 0.62 1.28 -0.10 0.00 0.00 175.22 176.66 2ppb n LEU 90 N -2.09 0.33 -3.63 -0.37 4.32 -1.02 -5.00 117.00 109.54 2ppb n LEU 90 Ca -0.01 -0.17 -0.16 0.00 -0.02 0.00 0.00 56.01 55.65 2ppb n LEU 90 Cb 0.56 -0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.28 2ppb n LEU 90 CO 0.51 0.08 0.24 0.21 -1.22 0.00 0.00 177.39 177.22 2ppb s ASN 91 N -4.01 -0.44 0.49 -1.43 2.47 -1.26 -5.04 114.94 105.71 2ppb s ASN 91 Ca -0.03 0.43 0.39 0.00 0.42 0.00 0.00 52.86 54.07 2ppb s ASN 91 Cb 0.15 0.44 1.59 0.00 -1.45 0.00 0.00 41.25 41.98 2ppb s ASN 91 CO 0.90 -0.53 1.58 -0.65 -3.72 0.00 0.00 177.10 174.67 2ppb h PRO 92 N 3.42 0.00 -0.72 0.43 0.11 -2.03 0.35 132.00 133.57 2ppb h PRO 92 Ca -0.28 -0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.04 2ppb h PRO 92 Cb 1.16 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2ppb h PRO 92 CO 0.39 0.00 0.62 0.77 -0.21 0.00 0.00 178.00 179.57 2ppb h SER 93 N 0.00 0.00 -3.44 -2.05 0.02 -2.03 -3.22 113.55 102.83 2ppb h SER 93 Ca 0.91 0.00 -0.77 0.00 -0.84 0.00 0.00 61.79 61.09 2ppb h SER 93 Cb 3.20 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 65.50 2ppb h SER 93 CO -0.30 0.00 0.35 -0.22 -1.14 0.00 0.00 176.83 175.52 2ppb s LEU 94 N -7.92 6.30 -0.15 5.07 2.96 0.11 -4.81 118.68 120.24 2ppb s LEU 94 Ca -0.05 -2.72 -0.17 0.00 -0.22 0.00 0.00 54.13 50.98 2ppb s LEU 94 Cb 0.19 -2.26 -0.24 0.00 0.50 0.00 0.00 46.19 44.38 2ppb s LEU 94 CO 0.66 -0.63 0.39 1.56 -1.32 0.00 0.00 176.35 177.01 2ppb h GLN 95 N 7.78 0.14 -3.52 1.98 4.20 -1.83 -3.46 115.11 120.40 2ppb h GLN 95 Ca 0.14 -0.25 -0.51 0.00 0.06 0.00 0.00 58.65 58.09 2ppb h GLN 95 Cb 1.00 0.09 -0.40 0.00 0.30 0.00 0.00 27.48 28.48 2ppb h GLN 95 CO 0.88 1.12 -0.76 -0.08 -0.67 0.00 0.00 178.83 179.32 2ppb s THR 96 N -2.44 0.48 -0.16 -0.54 -1.32 -1.26 -2.97 115.64 107.43 2ppb s THR 96 Ca -0.24 -0.51 -0.01 0.00 -1.21 0.00 0.00 61.69 59.72 2ppb s THR 96 Cb 0.05 -0.99 -0.01 0.00 -1.51 0.00 0.00 72.50 70.04 2ppb s THR 96 CO 0.70 -0.20 -0.11 -0.69 -2.21 0.00 0.00 174.62 172.11 2ppb s VAL 97 N 1.88 3.12 -0.43 5.08 1.01 -0.40 -4.95 120.40 125.71 2ppb s VAL 97 Ca -0.01 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 2ppb s VAL 97 Cb -0.17 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.90 2ppb s VAL 97 CO -0.08 0.50 0.39 -0.89 0.00 0.00 0.00 175.10 175.02 2ppb s THR 98 N 0.68 5.17 0.02 3.92 2.01 -1.26 -0.96 115.64 125.21 2ppb s THR 98 Ca -0.06 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 2ppb s THR 98 Cb -0.15 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 2ppb s THR 98 CO 0.02 -0.44 0.99 -0.76 -0.69 0.00 0.00 174.62 173.73 2ppb s LEU 99 N 1.90 4.40 -0.06 4.42 1.02 -0.43 -4.89 118.68 125.03 2ppb s LEU 99 Ca 0.08 1.70 0.02 0.00 0.02 0.00 0.00 54.13 55.95 2ppb s LEU 99 Cb -0.19 -3.57 -0.03 0.00 0.02 0.00 0.00 46.19 42.41 2ppb s LEU 99 CO 0.11 -0.23 -0.11 -0.22 0.02 0.00 0.00 176.35 175.92 2ppb s LEU 100 N 0.81 2.95 -0.18 1.79 0.20 -1.26 -1.50 118.68 121.50 2ppb s LEU 100 Ca 0.51 -0.11 -0.15 0.00 0.69 0.00 0.00 54.13 55.07 2ppb s LEU 100 Cb -0.22 -1.62 0.05 0.00 -0.43 0.00 0.00 46.19 43.97 2ppb s LEU 100 CO 0.28 0.35 0.47 -0.22 -0.29 0.00 0.00 176.35 176.94 2ppb s LEU 101 N -0.76 0.11 -0.12 -0.68 0.20 -0.96 -1.90 118.68 114.57 2ppb s LEU 101 Ca 0.12 0.95 -0.05 0.00 0.69 0.00 0.00 54.13 55.84 2ppb s LEU 101 Cb -0.11 1.59 0.06 0.00 -0.43 0.00 0.00 46.19 47.30 2ppb s LEU 101 CO 0.01 -0.17 0.25 -1.59 -0.29 0.00 0.00 176.35 174.56 2ppb s LYS 102 N 0.51 0.16 0.02 1.98 -2.85 -1.26 -1.34 119.74 116.96 2ppb s LYS 102 Ca -0.02 0.68 0.02 0.00 -1.00 0.00 0.00 55.97 55.64 2ppb s LYS 102 Cb -0.04 -0.07 -0.01 0.00 -2.06 0.00 0.00 37.83 35.64 2ppb s LYS 102 CO -0.03 -0.25 -0.06 0.00 0.10 0.00 0.00 175.35 175.12 2ppb s ALA 103 N 2.06 0.45 0.15 0.59 0.00 -0.54 -5.00 121.76 119.47 2ppb s ALA 103 Ca -0.02 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.52 2ppb s ALA 103 Cb -0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2ppb s ALA 103 CO -0.08 0.03 -0.10 -1.21 0.00 0.00 0.00 175.76 174.39 2ppb s GLU 104 N -0.82 1.09 2.04 0.00 0.41 -1.26 -2.74 118.70 117.42 2ppb s GLU 104 Ca -0.04 -1.47 0.00 0.00 -0.41 0.00 0.00 54.97 53.05 2ppb s GLU 104 Cb -0.06 -0.67 0.00 0.00 -1.78 0.00 0.00 34.13 31.62 2ppb s GLU 104 CO 0.00 0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.26 2ppb n GLY 105 N -0.22 -1.30 1.80 -1.39 0.00 -0.77 -4.33 105.19 98.98 2ppb n GLY 105 Ca -0.10 -1.27 -0.00 0.00 0.00 0.00 0.00 46.02 44.65 2ppb n GLY 105 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ppb n PRO 106 N -0.01 0.44 -4.39 1.61 -0.02 -0.86 -3.96 135.00 127.82 2ppb n PRO 106 Ca 0.00 -0.01 -0.29 0.00 -2.02 0.00 0.00 63.50 61.18 2ppb n PRO 106 Cb 0.00 -1.30 -0.13 0.00 -0.02 0.00 0.00 33.50 32.06 2ppb n PRO 106 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2ppb s LYS 107 N 1.17 1.45 -0.03 -0.52 2.20 -1.18 -4.93 119.74 117.89 2ppb s LYS 107 Ca 0.01 -1.38 -0.28 0.00 -0.36 0.00 0.00 55.97 53.96 2ppb s LYS 107 Cb 0.00 -1.90 -0.03 0.00 -1.51 0.00 0.00 37.83 34.39 2ppb s LYS 107 CO 0.00 0.44 0.89 -1.21 -0.36 0.00 0.00 175.35 175.11 2ppb s GLU 108 N -2.20 4.50 -0.39 4.03 2.02 -1.26 -2.18 118.70 123.23 2ppb s GLU 108 Ca 0.16 1.23 -0.16 0.00 0.02 0.00 0.00 54.97 56.22 2ppb s GLU 108 Cb -0.10 -3.47 0.01 0.00 0.10 0.00 0.00 34.13 30.68 2ppb s GLU 108 CO 0.07 -0.04 0.37 0.08 0.02 0.00 0.00 175.26 175.76 2ppb s VAL 109 N 1.05 5.16 0.44 2.63 1.01 0.12 -4.97 120.40 125.84 2ppb s VAL 109 Ca 0.47 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.22 2ppb s VAL 109 Cb -0.20 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2ppb s VAL 109 CO 0.24 -0.28 0.52 -0.54 0.00 0.00 0.00 175.10 175.04 2ppb s LYS 110 N 1.97 2.65 0.30 2.72 -0.14 -1.26 -0.39 119.74 125.59 2ppb s LYS 110 Ca 0.10 -1.42 0.26 0.00 -1.36 0.00 0.00 55.97 53.55 2ppb s LYS 110 Cb -0.17 -2.59 0.95 0.00 -1.68 0.00 0.00 37.83 34.34 2ppb s LYS 110 CO 0.12 -0.33 1.76 0.00 -0.76 0.00 0.00 175.35 176.15 2ppb h ALA 111 N 0.72 1.00 -0.00 5.17 0.00 0.13 -2.69 119.26 123.59 2ppb h ALA 111 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ppb h ALA 111 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ppb h ALA 111 CO 0.49 0.00 -0.01 2.89 0.00 0.00 0.00 179.25 182.62 2ppb n ARG 112 N -2.42 0.57 0.02 0.00 1.85 -0.98 -3.20 116.66 112.50 2ppb n ARG 112 Ca 0.03 -0.03 0.13 0.00 -1.00 0.00 0.00 57.85 56.98 2ppb n ARG 112 Cb 0.31 -1.50 0.55 0.00 -1.05 0.00 0.00 32.46 30.78 2ppb n ARG 112 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2ppb n ASP 113 N -1.19 0.12 -4.72 2.89 9.92 -1.02 -4.81 116.55 117.74 2ppb n ASP 113 Ca 0.16 0.51 -0.42 0.00 -0.53 0.00 0.00 54.79 54.51 2ppb n ASP 113 Cb 0.22 -0.54 -0.03 0.00 -0.64 0.00 0.00 41.12 40.13 2ppb n ASP 113 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2ppb s PHE 114 N -3.02 3.17 0.09 1.24 0.40 -1.19 -4.72 117.98 113.94 2ppb s PHE 114 Ca 0.13 0.84 -0.31 0.00 -0.60 0.00 0.00 56.93 56.99 2ppb s PHE 114 Cb 0.17 -3.78 -0.09 0.00 0.51 0.00 0.00 43.02 39.83 2ppb s PHE 114 CO 0.50 -2.76 1.78 -0.48 0.70 0.00 0.00 175.22 174.96 2ppb s LEU 115 N 1.03 4.39 0.37 -0.37 0.05 -0.80 -4.90 118.68 118.46 2ppb s LEU 115 Ca 0.66 2.64 -0.26 0.00 0.05 0.00 0.00 54.13 57.22 2ppb s LEU 115 Cb -0.40 -3.56 -0.12 0.00 -2.05 0.00 0.00 46.19 40.07 2ppb s LEU 115 CO 0.31 -0.97 1.12 -2.65 -0.55 0.00 0.00 176.35 173.62 2ppb n PRO 116 N 5.93 1.65 -5.03 1.48 -0.02 -1.26 -4.64 135.00 133.11 2ppb n PRO 116 Ca 0.17 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.91 2ppb n PRO 116 Cb 0.39 -2.13 -0.14 0.00 -0.02 0.00 0.00 33.50 31.60 2ppb n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ppb s VAL 117 N -1.17 2.69 0.00 -1.45 1.01 -1.26 -5.08 120.40 115.14 2ppb s VAL 117 Ca 0.60 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2ppb s VAL 117 Cb -0.58 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 33.77 2ppb s VAL 117 CO 0.59 0.58 0.89 0.00 0.00 0.00 0.00 175.10 177.16 2ppb n ALA 118 N 2.58 0.00 1.40 5.51 0.00 -1.26 -2.28 120.51 126.46 2ppb n ALA 118 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.39 2ppb n ALA 118 Cb 0.52 0.45 0.47 0.00 0.00 0.00 0.00 19.45 20.88 2ppb n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ppb n ASP 119 N -2.78 1.45 -4.60 0.00 10.43 -1.26 -4.91 116.55 114.89 2ppb n ASP 119 Ca 0.00 -1.58 -0.31 0.00 2.57 0.00 0.00 54.79 55.47 2ppb n ASP 119 Cb 0.00 -0.05 -0.10 0.00 1.84 0.00 0.00 41.12 42.81 2ppb n ASP 119 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2ppb s VAL 120 N -1.89 3.61 0.03 2.53 0.11 -0.96 -2.43 120.40 121.39 2ppb s VAL 120 Ca 0.35 -0.92 0.04 0.00 -2.93 0.00 0.00 61.98 58.52 2ppb s VAL 120 Cb 0.19 -2.62 -0.02 0.00 -1.53 0.00 0.00 36.38 32.40 2ppb s VAL 120 CO 0.29 0.29 -0.12 -1.83 -3.33 0.00 0.00 175.10 170.41 2ppb s GLU 121 N -1.71 0.83 -0.36 1.54 -1.05 -0.75 -4.43 118.70 112.76 2ppb s GLU 121 Ca 0.19 -0.65 -0.06 0.00 -0.15 0.00 0.00 54.97 54.30 2ppb s GLU 121 Cb -0.11 -0.79 0.06 0.00 -0.44 0.00 0.00 34.13 32.85 2ppb s GLU 121 CO 0.10 0.20 0.14 0.42 0.95 0.00 0.00 175.26 177.07 2ppb s ILE 122 N -0.76 3.73 -2.27 1.83 1.01 -1.26 -0.30 121.20 123.17 2ppb s ILE 122 Ca 0.00 -1.36 0.24 0.00 0.00 0.00 0.00 60.65 59.53 2ppb s ILE 122 Cb -0.07 -3.22 0.55 0.00 0.01 0.00 0.00 42.46 39.73 2ppb s ILE 122 CO 0.01 -0.32 1.71 0.23 0.00 0.00 0.00 174.94 176.56 2ppb n MET 123 N 4.78 1.52 -3.18 2.79 2.81 -1.16 -4.14 117.12 120.54 2ppb n MET 123 Ca -0.10 -0.76 -0.27 0.00 -1.81 0.00 0.00 57.70 54.75 2ppb n MET 123 Cb 0.44 -1.42 -0.06 0.00 -0.71 0.00 0.00 33.22 31.47 2ppb n MET 123 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2ppb n ASN 124 N -0.04 4.17 0.27 7.83 5.15 -1.24 -4.95 115.26 126.45 2ppb n ASN 124 Ca 0.18 -3.57 -0.11 0.00 -0.60 0.00 0.00 54.58 50.48 2ppb n ASN 124 Cb 0.27 -0.62 -0.05 0.00 -0.53 0.00 0.00 39.78 38.85 2ppb n ASN 124 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2ppb h PRO 125 N 3.60 -0.68 0.00 1.20 0.11 -1.89 -3.26 132.00 131.07 2ppb h PRO 125 Ca 0.17 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2ppb h PRO 125 Cb 0.58 0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2ppb h PRO 125 CO 0.84 -0.45 0.00 -0.25 -0.21 0.00 0.00 178.00 177.92 2ppb n ASP 126 N -4.22 0.00 -4.60 -2.05 8.00 -1.26 -0.26 116.55 112.16 2ppb n ASP 126 Ca -0.09 0.17 -0.49 0.00 0.71 0.00 0.00 54.79 55.09 2ppb n ASP 126 Cb 0.28 -0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2ppb n ASP 126 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2ppb n LEU 127 N -1.28 1.87 -4.60 0.64 7.94 -1.23 -4.70 117.00 115.63 2ppb n LEU 127 Ca 0.04 1.13 -0.43 0.00 -1.11 0.00 0.00 56.01 55.64 2ppb n LEU 127 Cb 0.06 -1.25 -0.04 0.00 0.53 0.00 0.00 43.42 42.73 2ppb n LEU 127 CO 0.06 -1.04 0.75 -2.28 -1.11 0.00 0.00 177.39 173.77 2ppb s HIS 128 N 0.14 3.07 -0.19 1.96 5.65 -1.26 -1.86 115.29 122.81 2ppb s HIS 128 Ca 0.77 0.75 -0.19 0.00 0.25 0.00 0.00 55.06 56.63 2ppb s HIS 128 Cb -0.85 -3.65 -0.16 0.00 -1.18 0.00 0.00 32.58 26.73 2ppb s HIS 128 CO 0.49 -0.83 0.19 0.82 -0.65 0.00 0.00 174.74 174.75 2ppb h ILE 129 N 5.83 0.80 -2.47 0.89 1.08 -1.04 -3.48 117.51 119.13 2ppb h ILE 129 Ca -0.23 -1.95 0.14 0.00 -0.39 0.00 0.00 64.86 62.43 2ppb h ILE 129 Cb 1.08 1.86 -0.09 0.00 -3.07 0.00 0.00 36.82 36.60 2ppb h ILE 129 CO 0.98 0.27 0.43 0.00 -0.69 0.00 0.00 178.15 179.14 2ppb s ALA 130 N -2.42 -1.62 -0.30 1.87 0.00 -1.01 -4.78 121.76 113.50 2ppb s ALA 130 Ca -0.25 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 2ppb s ALA 130 Cb 0.04 0.65 0.04 0.00 0.00 0.00 0.00 23.12 23.85 2ppb s ALA 130 CO 0.52 -0.96 0.03 0.95 0.00 0.00 0.00 175.76 176.29 2ppb s THR 131 N -3.38 3.29 -0.16 0.00 -4.23 -1.26 0.15 115.64 110.05 2ppb s THR 131 Ca 0.10 -1.20 -0.13 0.00 -1.18 0.00 0.00 61.69 59.28 2ppb s THR 131 Cb -0.02 -2.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 2ppb s THR 131 CO -0.00 -0.07 0.26 -0.22 -0.54 0.00 0.00 174.62 174.05 2ppb s LEU 132 N 1.33 4.25 0.00 4.79 2.96 -0.92 -2.83 118.68 128.25 2ppb s LEU 132 Ca -0.03 0.46 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 2ppb s LEU 132 Cb -0.19 -2.32 0.00 0.00 0.50 0.00 0.00 46.19 44.18 2ppb s LEU 132 CO -0.00 0.13 0.00 1.21 -1.32 0.00 0.00 176.35 176.37 2ppb n GLU 133 N 3.49 0.00 -3.82 1.98 2.13 0.11 -3.10 120.64 121.43 2ppb n GLU 133 Ca -0.13 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.57 2ppb n GLU 133 Cb 0.52 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.11 2ppb n GLU 133 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2ppb s GLU 134 N 0.02 0.22 -1.60 5.31 0.41 -1.26 -2.02 118.70 119.78 2ppb s GLU 134 Ca 0.00 0.20 -0.00 0.00 -0.41 0.00 0.00 54.97 54.76 2ppb s GLU 134 Cb 0.00 0.10 0.00 0.00 -1.78 0.00 0.00 34.13 32.46 2ppb s GLU 134 CO 0.00 -0.03 0.05 0.41 -0.49 0.00 0.00 175.26 175.20 2ppb n GLY 135 N 2.89 -0.50 3.48 -1.39 0.00 -1.26 -4.67 105.19 103.74 2ppb n GLY 135 Ca -0.13 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 2ppb n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ppb s GLY 136 N -2.10 1.51 -0.37 -0.02 0.00 -1.26 -4.71 107.32 100.37 2ppb s GLY 136 Ca 0.03 -1.56 -0.08 0.00 0.00 0.00 0.00 44.72 43.10 2ppb s GLY 136 CO 0.03 1.89 0.17 0.50 0.00 0.00 0.00 173.10 175.69 2ppb s ARG 137 N 3.59 2.68 -0.21 2.90 0.52 -1.26 -1.84 118.95 125.32 2ppb s ARG 137 Ca 0.24 -1.20 -0.00 0.00 -0.52 0.00 0.00 55.73 54.24 2ppb s ARG 137 Cb -0.16 -3.61 0.05 0.00 0.52 0.00 0.00 34.95 31.76 2ppb s ARG 137 CO 0.15 -0.73 -0.04 -0.48 0.02 0.00 0.00 175.30 174.21 2ppb s LEU 138 N 1.46 2.04 -0.27 2.53 0.05 -1.11 -4.99 118.68 118.39 2ppb s LEU 138 Ca 0.00 -0.97 0.01 0.00 0.05 0.00 0.00 54.13 53.23 2ppb s LEU 138 Cb -0.20 -1.00 0.08 0.00 -2.05 0.00 0.00 46.19 43.02 2ppb s LEU 138 CO 0.04 -0.23 0.01 0.21 -0.55 0.00 0.00 176.35 175.82 2ppb s ASN 139 N 1.55 3.97 0.16 1.48 2.47 -1.26 -1.47 114.94 121.83 2ppb s ASN 139 Ca -0.03 -1.42 0.03 0.00 0.42 0.00 0.00 52.86 51.86 2ppb s ASN 139 Cb -0.17 -1.13 -0.05 0.00 -1.45 0.00 0.00 41.25 38.45 2ppb s ASN 139 CO -0.07 -0.31 -0.04 0.00 -3.72 0.00 0.00 177.10 172.96 2ppb s MET 140 N 1.40 1.09 -0.22 0.43 0.23 -0.45 -1.54 119.30 120.25 2ppb s MET 140 Ca 0.01 -1.50 0.00 0.00 -1.03 0.00 0.00 55.69 53.17 2ppb s MET 140 Cb -0.18 -0.43 0.06 0.00 -1.53 0.00 0.00 34.83 32.75 2ppb s MET 140 CO -0.11 -0.04 -0.05 -1.83 -2.03 0.00 0.00 175.02 170.95 2ppb s GLU 141 N -3.84 1.59 -0.28 3.16 1.03 -0.90 -2.28 118.70 117.19 2ppb s GLU 141 Ca 0.20 -0.89 -0.06 0.00 0.03 0.00 0.00 54.97 54.26 2ppb s GLU 141 Cb 0.05 -2.48 0.00 0.00 -0.80 0.00 0.00 34.13 30.91 2ppb s GLU 141 CO 0.02 -0.56 0.05 0.14 -1.33 0.00 0.00 175.26 173.58 2ppb s VAL 142 N 1.45 3.80 0.58 1.83 -7.23 -0.56 -1.52 120.40 118.76 2ppb s VAL 142 Ca -0.04 -0.65 -0.18 0.00 -1.81 0.00 0.00 61.98 59.30 2ppb s VAL 142 Cb -0.18 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 2ppb s VAL 142 CO -0.07 0.16 1.12 -0.60 -0.31 0.00 0.00 175.10 175.41 2ppb s ARG 143 N 1.49 3.16 -0.06 4.82 3.52 0.56 -1.31 118.95 131.13 2ppb s ARG 143 Ca 0.03 1.53 -0.03 0.00 -0.13 0.00 0.00 55.73 57.13 2ppb s ARG 143 Cb -0.17 -1.99 0.03 0.00 -1.56 0.00 0.00 34.95 31.27 2ppb s ARG 143 CO 0.01 -0.99 0.14 0.08 -0.81 0.00 0.00 175.30 173.73 2ppb s VAL 144 N -1.98 -0.04 0.19 7.11 1.01 -0.14 -2.38 120.40 124.18 2ppb s VAL 144 Ca 0.71 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.85 2ppb s VAL 144 Cb -0.23 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 2ppb s VAL 144 CO 0.32 0.06 0.04 -1.81 0.00 0.00 0.00 175.10 173.71 2ppb s ASP 145 N 0.97 1.05 -0.26 3.32 1.11 -1.15 -1.28 116.67 120.43 2ppb s ASP 145 Ca -0.08 -1.24 -0.09 0.00 0.18 0.00 0.00 52.55 51.33 2ppb s ASP 145 Cb -0.10 0.16 -0.04 0.00 1.07 0.00 0.00 42.92 44.02 2ppb s ASP 145 CO -0.05 -0.64 0.12 -0.60 1.18 0.00 0.00 175.17 175.19 2ppb s ARG 146 N -3.97 3.80 0.00 8.23 3.52 -1.16 -2.89 118.95 126.48 2ppb s ARG 146 Ca 0.28 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 2ppb s ARG 146 Cb 0.07 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 2ppb s ARG 146 CO 0.06 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 2ppb n GLY 147 N 4.92 3.90 2.99 8.12 0.00 -0.85 -4.95 105.19 119.32 2ppb n GLY 147 Ca -0.15 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 2ppb n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 148 N -1.93 0.03 0.00 1.61 1.01 -1.26 -0.13 120.40 119.73 2ppb s VAL 148 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2ppb s VAL 148 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.18 2ppb s VAL 148 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.56 2ppb n GLY 149 N 2.51 0.14 3.41 4.51 0.00 -1.26 -4.78 105.19 109.71 2ppb n GLY 149 Ca -0.16 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 2ppb n GLY 149 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ppb s TYR 150 N 0.00 2.90 -0.26 1.61 5.04 -1.26 -1.77 117.35 123.61 2ppb s TYR 150 Ca 0.00 -0.56 0.01 0.00 -2.44 0.00 0.00 57.07 54.08 2ppb s TYR 150 Cb 0.00 -1.91 0.07 0.00 0.35 0.00 0.00 41.96 40.48 2ppb s TYR 150 CO 0.00 -0.19 -0.01 0.08 -1.34 0.00 0.00 175.55 174.10 2ppb s VAL 151 N 0.46 1.42 0.46 3.14 1.01 -1.01 -4.99 120.40 120.89 2ppb s VAL 151 Ca -0.07 -1.33 -0.23 0.00 0.00 0.00 0.00 61.98 60.35 2ppb s VAL 151 Cb -0.15 -1.82 -0.09 0.00 0.00 0.00 0.00 36.38 34.32 2ppb s VAL 151 CO 0.04 -0.27 1.03 -2.65 0.00 0.00 0.00 175.10 173.25 2ppb n PRO 152 N 4.68 1.33 0.32 2.72 -0.02 -1.26 -1.29 135.00 141.48 2ppb n PRO 152 Ca -0.08 0.48 0.20 0.00 -2.02 0.00 0.00 63.50 62.08 2ppb n PRO 152 Cb 0.44 -2.12 1.07 0.00 -0.02 0.00 0.00 33.50 32.87 2ppb n PRO 152 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ppb h ALA 153 N 1.38 1.20 0.06 3.55 0.00 -1.92 0.91 119.26 124.44 2ppb h ALA 153 Ca -0.46 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.21 2ppb h ALA 153 Cb 1.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2ppb h ALA 153 CO 0.56 -0.11 -1.10 0.93 0.00 0.00 0.00 179.25 179.53 2ppb h GLU 154 N 0.00 0.13 -0.13 0.00 3.07 -1.93 -2.64 114.58 113.07 2ppb h GLU 154 Ca 0.01 -0.21 -0.04 0.00 -0.50 0.00 0.00 59.36 58.61 2ppb h GLU 154 Cb 0.20 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2ppb h GLU 154 CO -0.00 1.09 -0.08 -0.22 -1.40 0.00 0.00 179.01 178.40 2ppb h LYS 155 N 0.04 0.29 0.02 2.33 1.63 -1.14 -3.37 116.57 116.38 2ppb h LYS 155 Ca -0.07 -0.13 -0.22 0.00 -0.85 0.00 0.00 60.65 59.38 2ppb h LYS 155 Cb 1.84 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.44 2ppb h LYS 155 CO 0.16 0.64 -1.17 1.12 -3.45 0.00 0.00 179.45 176.76 2ppb h HIS 156 N -0.06 0.09 -5.57 1.91 2.07 -1.69 -3.50 115.15 108.41 2ppb h HIS 156 Ca 0.03 -0.07 -0.08 0.00 -2.85 0.00 0.00 60.37 57.40 2ppb h HIS 156 Cb 0.56 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.54 2ppb h HIS 156 CO 0.07 1.46 -0.46 0.41 -3.07 0.00 0.00 177.93 176.33 2ppb n GLY 157 N 1.54 -1.12 3.80 6.13 0.00 -0.99 -4.96 105.19 109.58 2ppb n GLY 157 Ca -0.28 0.94 -0.36 0.00 0.00 0.00 0.00 46.02 46.32 2ppb n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ppb s ILE 158 N -2.64 4.44 -0.43 -0.61 -1.09 -1.26 -5.03 121.20 114.58 2ppb s ILE 158 Ca 0.16 1.47 0.05 0.00 -2.23 0.00 0.00 60.65 60.10 2ppb s ILE 158 Cb -0.04 -3.89 0.18 0.00 -1.58 0.00 0.00 42.46 37.13 2ppb s ILE 158 CO 0.79 0.15 0.42 0.29 -1.23 0.00 0.00 174.94 175.36 2ppb n LYS 159 N 0.58 0.28 -0.03 2.79 4.76 -1.26 -4.48 118.16 120.80 2ppb n LYS 159 Ca -0.00 -2.96 -0.13 0.00 -2.87 0.00 0.00 58.31 52.34 2ppb n LYS 159 Cb 0.51 -1.61 -0.10 0.00 -1.84 0.00 0.00 35.03 31.99 2ppb n LYS 159 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2ppb h ASP 160 N 5.41 0.04 -4.14 4.39 5.19 -1.96 -3.44 116.42 121.92 2ppb h ASP 160 Ca 0.22 -0.59 -0.69 0.00 -0.62 0.00 0.00 57.03 55.35 2ppb h ASP 160 Cb 0.94 -0.01 -0.25 0.00 0.18 0.00 0.00 39.33 40.20 2ppb h ASP 160 CO 0.31 0.62 -0.79 -0.60 -3.12 0.00 0.00 179.24 175.66 2ppb s ARG 161 N -3.85 2.43 0.36 3.56 3.52 -1.26 -5.04 118.95 118.67 2ppb s ARG 161 Ca -0.16 -0.74 0.11 0.00 -0.13 0.00 0.00 55.73 54.80 2ppb s ARG 161 Cb 0.01 -2.31 0.88 0.00 -1.56 0.00 0.00 34.95 31.97 2ppb s ARG 161 CO 0.69 0.61 1.83 -0.84 -0.81 0.00 0.00 175.30 176.77 2ppb h ILE 162 N 4.39 0.74 -0.02 4.11 3.07 -1.98 -1.40 117.51 126.41 2ppb h ILE 162 Ca -0.45 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 65.74 2ppb h ILE 162 Cb 1.15 0.06 0.00 0.00 -0.27 0.00 0.00 36.82 37.75 2ppb h ILE 162 CO 0.50 0.11 -0.04 0.59 -1.05 0.00 0.00 178.15 178.26 2ppb n ASN 163 N -4.61 1.85 -4.69 2.16 5.03 -1.26 -4.95 115.26 108.80 2ppb n ASN 163 Ca 0.20 -1.58 -0.31 0.00 0.87 0.00 0.00 54.58 53.77 2ppb n ASN 163 Cb 0.59 0.03 0.15 0.00 -1.02 0.00 0.00 39.78 39.52 2ppb n ASN 163 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ppb s ALA 164 N -2.06 1.57 -0.11 5.41 0.00 -0.53 -4.63 121.76 121.41 2ppb s ALA 164 Ca 0.34 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.75 2ppb s ALA 164 Cb 0.21 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.96 2ppb s ALA 164 CO 0.35 -2.55 -0.13 0.96 0.00 0.00 0.00 175.76 174.39 2ppb s ILE 165 N -2.72 1.36 0.80 0.00 -5.25 -0.30 -4.98 121.20 110.11 2ppb s ILE 165 Ca 0.65 -0.54 -0.11 0.00 -0.99 0.00 0.00 60.65 59.66 2ppb s ILE 165 Cb -0.21 -1.27 0.08 0.00 2.95 0.00 0.00 42.46 44.00 2ppb s ILE 165 CO 0.58 0.42 1.13 -2.84 -1.79 0.00 0.00 174.94 172.43 2ppb s PRO 166 N 1.19 1.89 0.07 0.37 0.02 -1.26 -2.02 135.00 135.26 2ppb s PRO 166 Ca -0.03 1.40 0.05 0.00 0.02 0.00 0.00 61.00 62.43 2ppb s PRO 166 Cb -0.14 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 2ppb s PRO 166 CO -0.04 -1.95 -0.13 0.08 -0.33 0.00 0.00 177.00 174.63 2ppb s VAL 167 N -2.63 1.02 0.33 3.83 1.01 -0.96 -4.87 120.40 118.12 2ppb s VAL 167 Ca 0.65 -1.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 2ppb s VAL 167 Cb -0.21 -1.03 -0.11 0.00 0.00 0.00 0.00 36.38 35.03 2ppb s VAL 167 CO 0.53 -0.27 1.53 -1.81 0.00 0.00 0.00 175.10 175.08 2ppb s ASP 168 N -1.77 6.39 -0.17 3.32 1.01 -1.26 -4.37 116.67 119.83 2ppb s ASP 168 Ca -0.03 2.96 -0.19 0.00 0.71 0.00 0.00 52.55 56.01 2ppb s ASP 168 Cb -0.10 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 2ppb s ASP 168 CO 0.02 -0.87 0.52 0.00 0.21 0.00 0.00 175.17 175.05 2ppb s ALA 169 N -0.52 3.51 -0.44 5.23 0.00 -0.41 -4.74 121.76 124.38 2ppb s ALA 169 Ca 0.58 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.28 2ppb s ALA 169 Cb -0.47 -2.77 0.12 0.00 0.00 0.00 0.00 23.12 20.01 2ppb s ALA 169 CO 0.54 -0.28 0.19 0.14 0.00 0.00 0.00 175.76 176.35 2ppb s VAL 170 N 1.26 2.17 -1.60 0.00 -7.23 -1.26 -2.39 120.40 111.35 2ppb s VAL 170 Ca 0.26 -2.79 0.20 0.00 -1.81 0.00 0.00 61.98 57.84 2ppb s VAL 170 Cb -0.15 -2.54 0.63 0.00 0.56 0.00 0.00 36.38 34.87 2ppb s VAL 170 CO 0.10 -0.75 1.53 0.49 -0.31 0.00 0.00 175.10 176.16 2ppb n PHE 171 N 3.61 1.05 -3.28 2.82 3.72 -0.73 -4.20 117.46 120.46 2ppb n PHE 171 Ca 0.05 -0.54 -0.43 0.00 -0.05 0.00 0.00 57.45 56.49 2ppb n PHE 171 Cb 0.36 -0.07 -0.08 0.00 -0.94 0.00 0.00 39.48 38.74 2ppb n PHE 171 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2ppb s SER 172 N -0.99 6.23 0.00 4.37 0.15 -1.26 -1.86 113.70 120.33 2ppb s SER 172 Ca 0.47 -0.51 0.12 0.00 0.70 0.00 0.00 55.95 56.73 2ppb s SER 172 Cb 0.26 -2.24 0.73 0.00 -1.71 0.00 0.00 66.02 63.06 2ppb s SER 172 CO 0.29 -0.58 1.15 -2.65 1.20 0.00 0.00 173.24 172.65 2ppb n PRO 173 N 5.71 0.43 -4.15 5.44 -0.02 -1.26 -4.57 135.00 136.58 2ppb n PRO 173 Ca -0.06 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.07 2ppb n PRO 173 Cb 0.48 -1.44 -0.13 0.00 -0.02 0.00 0.00 33.50 32.39 2ppb n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ppb s VAL 174 N -2.00 3.73 -0.17 -1.45 1.01 -1.26 -0.45 120.40 119.81 2ppb s VAL 174 Ca 0.18 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 2ppb s VAL 174 Cb 0.08 -2.67 -0.14 0.00 0.00 0.00 0.00 36.38 33.65 2ppb s VAL 174 CO 0.14 0.44 0.14 -0.09 0.00 0.00 0.00 175.10 175.74 2ppb h ARG 175 N 7.45 0.00 -3.61 2.72 9.65 -1.70 -3.48 114.38 125.41 2ppb h ARG 175 Ca -0.35 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.37 2ppb h ARG 175 Cb 1.18 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 29.55 2ppb h ARG 175 CO 0.61 0.64 -0.54 -0.98 2.80 0.00 0.00 179.97 182.50 2ppb s ARG 176 N -2.26 0.44 0.22 0.20 1.70 -1.25 -5.04 118.95 112.97 2ppb s ARG 176 Ca -0.22 -0.44 0.10 0.00 -0.47 0.00 0.00 55.73 54.71 2ppb s ARG 176 Cb 0.03 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 2ppb s ARG 176 CO 0.45 -0.10 -0.15 0.08 -1.08 0.00 0.00 175.30 174.51 2ppb s VAL 177 N -1.38 2.83 -0.28 4.99 1.01 -1.26 -1.49 120.40 124.82 2ppb s VAL 177 Ca -0.15 -1.99 -0.18 0.00 0.00 0.00 0.00 61.98 59.67 2ppb s VAL 177 Cb -0.08 -2.43 0.09 0.00 0.00 0.00 0.00 36.38 33.96 2ppb s VAL 177 CO 0.01 -0.23 0.75 0.00 0.00 0.00 0.00 175.10 175.63 2ppb s ALA 178 N -1.99 -1.92 0.00 5.51 0.00 -0.25 -4.97 121.76 118.14 2ppb s ALA 178 Ca 0.26 2.30 0.01 0.00 0.00 0.00 0.00 51.96 54.53 2ppb s ALA 178 Cb -0.07 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.62 2ppb s ALA 178 CO 0.14 -0.36 -0.03 -0.59 0.00 0.00 0.00 175.76 174.92 2ppb s PHE 179 N 1.31 0.28 0.03 0.00 -0.12 -1.26 0.19 117.98 118.40 2ppb s PHE 179 Ca -0.07 -0.09 0.08 0.00 -0.05 0.00 0.00 56.93 56.80 2ppb s PHE 179 Cb -0.05 -0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.14 2ppb s PHE 179 CO -0.15 -0.01 -0.22 -0.65 -0.05 0.00 0.00 175.22 174.13 2ppb s GLN 180 N -0.19 1.58 -0.47 1.99 -1.52 -0.38 -4.97 119.66 115.70 2ppb s GLN 180 Ca -0.00 -0.95 0.03 0.00 -1.95 0.00 0.00 55.36 52.49 2ppb s GLN 180 Cb -0.02 -1.67 0.12 0.00 -0.22 0.00 0.00 33.01 31.22 2ppb s GLN 180 CO -0.00 0.44 0.21 0.08 -0.25 0.00 0.00 175.29 175.76 2ppb s VAL 181 N -0.74 2.59 -0.04 1.09 1.01 -1.25 -1.83 120.40 121.22 2ppb s VAL 181 Ca 0.09 -2.97 -0.03 0.00 0.00 0.00 0.00 61.98 59.07 2ppb s VAL 181 Cb -0.09 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2ppb s VAL 181 CO 0.01 -0.74 0.14 -1.83 0.00 0.00 0.00 175.10 172.68 2ppb s GLU 182 N 0.13 3.33 0.50 2.72 -1.05 -1.01 -4.81 118.70 118.51 2ppb s GLU 182 Ca 0.15 -0.31 -0.23 0.00 -0.15 0.00 0.00 54.97 54.42 2ppb s GLU 182 Cb -0.23 -3.05 -0.07 0.00 -0.44 0.00 0.00 34.13 30.34 2ppb s GLU 182 CO -0.03 0.70 1.39 -0.25 0.95 0.00 0.00 175.26 178.02 2ppb n ASP 183 N 1.35 2.95 -4.17 0.83 8.00 -1.26 -2.31 116.55 121.95 2ppb n ASP 183 Ca -0.14 1.04 -0.18 0.00 0.71 0.00 0.00 54.79 56.22 2ppb n ASP 183 Cb 0.53 -1.58 -0.12 0.00 -0.02 0.00 0.00 41.12 39.93 2ppb n ASP 183 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ppb s THR 184 N -1.24 1.08 -0.23 -3.53 -1.32 -1.23 -4.89 115.64 104.29 2ppb s THR 184 Ca 0.67 -1.32 -0.06 0.00 -1.21 0.00 0.00 61.69 59.77 2ppb s THR 184 Cb -0.43 -1.07 -0.02 0.00 -1.51 0.00 0.00 72.50 69.46 2ppb s THR 184 CO 0.53 -0.25 0.02 0.00 -2.21 0.00 0.00 174.62 172.71 2ppb s ARG 185 N -1.80 3.56 -0.30 7.08 1.04 -1.26 -4.25 118.95 123.03 2ppb s ARG 185 Ca -0.02 -0.53 -0.06 0.00 -1.04 0.00 0.00 55.73 54.08 2ppb s ARG 185 Cb -0.10 -3.17 0.02 0.00 -2.04 0.00 0.00 34.95 29.66 2ppb s ARG 185 CO 0.02 -0.15 0.06 -0.51 -0.04 0.00 0.00 175.30 174.69 2ppb s LEU 186 N 1.43 3.83 0.00 -1.89 1.02 -1.26 -5.03 118.68 116.79 2ppb s LEU 186 Ca 0.05 -0.83 0.00 0.00 0.02 0.00 0.00 54.13 53.37 2ppb s LEU 186 Cb -0.15 -1.84 0.00 0.00 0.02 0.00 0.00 46.19 44.22 2ppb s LEU 186 CO 0.01 -0.21 0.00 0.61 0.02 0.00 0.00 176.35 176.78 2ppb n GLY 187 N 4.82 0.00 0.07 -3.19 0.00 -1.26 -2.51 105.19 103.11 2ppb n GLY 187 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 2ppb n GLY 187 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2ppb h GLN 188 N 0.00 -0.13 -5.28 1.61 3.07 -2.03 -3.46 115.11 108.90 2ppb h GLN 188 Ca 0.00 0.01 -0.65 0.00 0.09 0.00 0.00 58.65 58.10 2ppb h GLN 188 Cb 0.00 0.03 -0.25 0.00 0.08 0.00 0.00 27.48 27.34 2ppb h GLN 188 CO 0.00 -0.09 -0.73 0.50 0.09 0.00 0.00 178.83 178.60 2ppb s ARG 189 N -1.92 3.47 0.38 0.06 6.06 -1.05 -5.02 118.95 120.94 2ppb s ARG 189 Ca -0.02 -0.63 0.20 0.00 -2.50 0.00 0.00 55.73 52.79 2ppb s ARG 189 Cb 0.00 -2.76 0.54 0.00 0.06 0.00 0.00 34.95 32.79 2ppb s ARG 189 CO 0.06 0.18 1.66 1.15 -2.50 0.00 0.00 175.30 175.85 2ppb h THR 190 N 5.36 0.65 -1.20 4.11 2.02 -1.89 -3.36 112.91 118.60 2ppb h THR 190 Ca -0.29 -1.55 -0.41 0.00 0.77 0.00 0.00 66.41 64.93 2ppb h THR 190 Cb 1.20 2.04 -0.06 0.00 -1.74 0.00 0.00 68.15 69.60 2ppb h THR 190 CO 0.58 0.32 1.03 1.51 0.37 0.00 0.00 175.52 179.33 2ppb s ASP 191 N -6.31 5.46 0.06 4.18 -4.77 -1.26 -4.60 116.67 109.43 2ppb s ASP 191 Ca 0.02 -0.54 -0.05 0.00 -3.30 0.00 0.00 52.55 48.68 2ppb s ASP 191 Cb 0.09 -2.55 -0.02 0.00 -1.09 0.00 0.00 42.92 39.35 2ppb s ASP 191 CO 0.68 -2.39 0.09 -0.76 0.70 0.00 0.00 175.17 173.49 2ppb s LEU 192 N 8.71 1.89 -0.07 2.11 1.43 -1.26 -4.75 118.68 126.75 2ppb s LEU 192 Ca 0.63 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2ppb s LEU 192 Cb -0.07 0.62 -0.03 0.00 0.03 0.00 0.00 46.19 46.74 2ppb s LEU 192 CO 0.04 -0.60 -0.09 -1.81 0.23 0.00 0.00 176.35 174.12 2ppb s ASP 193 N -2.58 4.49 -0.16 2.29 1.11 -1.06 -3.47 116.67 117.28 2ppb s ASP 193 Ca 0.02 -0.07 -0.00 0.00 0.18 0.00 0.00 52.55 52.67 2ppb s ASP 193 Cb 0.03 -1.11 0.04 0.00 1.07 0.00 0.00 42.92 42.95 2ppb s ASP 193 CO -0.08 0.35 -0.07 -0.75 1.18 0.00 0.00 175.17 175.80 2ppb s LYS 194 N -0.74 1.59 -0.23 8.23 2.20 -0.98 -1.81 119.74 128.00 2ppb s LYS 194 Ca 0.11 -0.51 -0.05 0.00 -0.36 0.00 0.00 55.97 55.16 2ppb s LYS 194 Cb -0.11 -1.98 -0.02 0.00 -1.51 0.00 0.00 37.83 34.21 2ppb s LYS 194 CO 0.01 -0.38 0.01 -1.17 -0.36 0.00 0.00 175.35 173.45 2ppb s LEU 195 N 1.61 3.14 -0.23 5.43 2.96 -1.03 -2.39 118.68 128.16 2ppb s LEU 195 Ca 0.02 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2ppb s LEU 195 Cb -0.15 -1.82 0.05 0.00 0.50 0.00 0.00 46.19 44.78 2ppb s LEU 195 CO -0.08 -0.02 -0.10 0.42 -1.32 0.00 0.00 176.35 175.25 2ppb s THR 196 N 1.51 1.86 -0.16 3.68 -4.23 -0.76 -1.22 115.64 116.32 2ppb s THR 196 Ca 0.06 -1.32 -0.02 0.00 -1.18 0.00 0.00 61.69 59.22 2ppb s THR 196 Cb -0.15 -1.98 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 2ppb s THR 196 CO -0.00 0.04 -0.08 -1.48 -0.54 0.00 0.00 174.62 172.56 2ppb s LEU 197 N 1.26 2.95 -0.16 4.79 2.34 -0.22 -1.25 118.68 128.39 2ppb s LEU 197 Ca -0.05 -0.27 -0.15 0.00 0.06 0.00 0.00 54.13 53.71 2ppb s LEU 197 Cb -0.18 -1.70 -0.04 0.00 -0.56 0.00 0.00 46.19 43.70 2ppb s LEU 197 CO -0.07 0.12 0.36 -0.13 -1.06 0.00 0.00 176.35 175.57 2ppb s ARG 198 N 0.63 4.25 -0.05 1.48 0.52 0.51 -1.73 118.95 124.56 2ppb s ARG 198 Ca -0.04 0.19 0.05 0.00 -0.52 0.00 0.00 55.73 55.40 2ppb s ARG 198 Cb -0.15 -3.46 -0.00 0.00 0.52 0.00 0.00 34.95 31.86 2ppb s ARG 198 CO 0.03 0.14 -0.20 0.42 0.02 0.00 0.00 175.30 175.71 2ppb s ILE 199 N 0.74 1.65 -0.11 1.52 1.01 -0.96 -1.09 121.20 123.95 2ppb s ILE 199 Ca 0.19 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 2ppb s ILE 199 Cb -0.14 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 2ppb s ILE 199 CO 0.06 0.47 -0.10 0.26 0.00 0.00 0.00 174.94 175.63 2ppb s TRP 200 N 0.06 2.87 0.01 3.97 0.51 -0.55 -2.19 118.94 123.62 2ppb s TRP 200 Ca -0.06 -0.34 0.05 0.00 -2.12 0.00 0.00 56.10 53.63 2ppb s TRP 200 Cb -0.13 -1.81 -0.02 0.00 -0.81 0.00 0.00 33.47 30.70 2ppb s TRP 200 CO 0.03 0.01 -0.16 0.99 -0.51 0.00 0.00 176.95 177.32 2ppb s THR 201 N -0.08 1.23 0.66 2.01 2.01 0.18 -2.30 115.64 119.36 2ppb s THR 201 Ca -0.01 -0.85 0.43 0.00 0.31 0.00 0.00 61.69 61.58 2ppb s THR 201 Cb -0.14 -1.06 0.44 0.00 0.01 0.00 0.00 72.50 71.75 2ppb s THR 201 CO 0.03 0.20 2.36 -2.24 -0.69 0.00 0.00 174.62 174.29 2ppb h ASP 202 N 5.35 0.00 0.00 3.53 -0.00 -1.05 -3.36 116.42 120.89 2ppb h ASP 202 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.66 2ppb h ASP 202 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.50 2ppb h ASP 202 CO 0.46 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 180.31 2ppb n GLY 203 N -1.11 0.91 0.36 7.15 0.00 -1.26 -4.95 105.19 106.30 2ppb n GLY 203 Ca -0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 2ppb n GLY 203 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ppb h SER 204 N 2.00 -1.31 -1.01 1.61 0.87 -1.87 -3.42 113.55 110.42 2ppb h SER 204 Ca 0.00 0.25 -0.65 0.00 -1.23 0.00 0.00 61.79 60.16 2ppb h SER 204 Cb 0.00 0.64 -0.12 0.00 -0.44 0.00 0.00 62.40 62.48 2ppb h SER 204 CO 0.00 -0.31 -0.54 0.68 -0.53 0.00 0.00 176.83 176.13 2ppb s VAL 205 N -5.94 1.61 0.16 2.23 -7.23 -1.26 -4.79 120.40 105.18 2ppb s VAL 205 Ca -0.14 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.12 2ppb s VAL 205 Cb 0.16 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2ppb s VAL 205 CO 0.69 0.00 0.11 0.28 -0.31 0.00 0.00 175.10 175.86 2ppb s THR 206 N -2.78 4.35 0.25 5.32 -1.32 -1.26 -4.73 115.64 115.47 2ppb s THR 206 Ca 0.22 -1.12 -0.03 0.00 -1.21 0.00 0.00 61.69 59.55 2ppb s THR 206 Cb 0.05 -3.21 0.24 0.00 -1.51 0.00 0.00 72.50 68.07 2ppb s THR 206 CO 0.11 -0.09 1.71 -0.65 -2.21 0.00 0.00 174.62 173.49 2ppb h PRO 207 N 2.52 0.38 -0.17 7.08 0.11 -1.84 0.61 132.00 140.70 2ppb h PRO 207 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ppb h PRO 207 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2ppb h PRO 207 CO 0.62 0.25 0.09 1.25 -0.21 0.00 0.00 178.00 180.01 2ppb h LEU 208 N 0.39 0.21 -0.37 2.35 5.85 -1.94 -1.09 115.31 120.71 2ppb h LEU 208 Ca 0.44 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.13 2ppb h LEU 208 Cb 0.73 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 2ppb h LEU 208 CO -0.46 0.23 0.10 -0.33 -0.34 0.00 0.00 178.44 177.65 2ppb h GLU 209 N 0.17 0.24 -0.07 1.25 5.08 -1.64 -1.86 114.58 117.75 2ppb h GLU 209 Ca 0.06 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2ppb h GLU 209 Cb 0.07 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2ppb h GLU 209 CO -0.01 0.16 -0.15 0.00 -1.00 0.00 0.00 179.01 178.01 2ppb h ALA 210 N 1.26 -0.12 -0.38 3.43 0.00 -0.70 -1.35 119.26 121.41 2ppb h ALA 210 Ca 0.18 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.19 2ppb h ALA 210 Cb 0.18 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 2ppb h ALA 210 CO -0.20 -0.62 -0.04 1.25 0.00 0.00 0.00 179.25 179.63 2ppb h LEU 211 N -0.21 -0.24 -0.44 0.00 5.85 -0.91 0.39 115.31 119.74 2ppb h LEU 211 Ca 0.07 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2ppb h LEU 211 Cb 0.32 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2ppb h LEU 211 CO -0.20 -0.08 0.17 0.78 -0.34 0.00 0.00 178.44 178.78 2ppb h ASN 212 N 0.06 0.21 -0.85 1.25 4.21 -1.03 -0.51 115.58 118.91 2ppb h ASN 212 Ca 0.18 0.04 -0.03 0.00 1.21 0.00 0.00 56.30 57.71 2ppb h ASN 212 Cb 0.27 0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 37.45 2ppb h ASN 212 CO -0.34 0.15 0.43 1.56 -1.29 0.00 0.00 177.43 177.94 2ppb h GLN 213 N 0.36 1.21 0.69 0.81 4.20 -0.56 -2.46 115.11 119.35 2ppb h GLN 213 Ca 0.20 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2ppb h GLN 213 Cb 0.17 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 27.73 2ppb h GLN 213 CO -0.19 0.91 -0.33 0.00 -0.67 0.00 0.00 178.83 178.55 2ppb h ALA 214 N 1.27 -0.93 -0.70 3.87 0.00 -0.15 -1.17 119.26 121.45 2ppb h ALA 214 Ca 0.30 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.12 2ppb h ALA 214 Cb 0.08 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2ppb h ALA 214 CO -0.04 -1.00 0.47 0.28 0.00 0.00 0.00 179.25 178.96 2ppb h VAL 215 N -0.97 0.85 -0.16 0.00 2.07 -1.10 -1.72 116.25 115.23 2ppb h VAL 215 Ca -0.09 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 2ppb h VAL 215 Cb 0.72 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2ppb h VAL 215 CO 0.16 0.08 -0.05 -0.33 0.02 0.00 0.00 177.57 177.44 2ppb h GLU 216 N 0.46 0.31 0.00 1.57 4.39 -1.20 -0.65 114.58 119.46 2ppb h GLU 216 Ca 0.33 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 2ppb h GLU 216 Cb 0.68 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2ppb h GLU 216 CO -0.11 0.61 -0.04 0.82 -1.16 0.00 0.00 179.01 179.14 2ppb h ILE 217 N -0.00 1.02 -0.02 3.13 2.04 -0.46 0.12 117.51 123.33 2ppb h ILE 217 Ca 0.04 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 2ppb h ILE 217 Cb 0.50 1.07 0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2ppb h ILE 217 CO 0.02 0.04 -0.37 0.25 0.00 0.00 0.00 178.15 178.09 2ppb h LEU 218 N 0.00 0.36 -0.22 1.44 5.85 -1.13 -3.00 115.31 118.61 2ppb h LEU 218 Ca -0.00 -0.73 -0.01 0.00 0.84 0.00 0.00 57.88 57.97 2ppb h LEU 218 Cb 0.06 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2ppb h LEU 218 CO 0.00 1.04 0.08 0.03 -0.34 0.00 0.00 178.44 179.25 2ppb h ARG 219 N -0.29 0.33 -0.77 1.25 3.08 -0.66 -1.32 114.38 116.00 2ppb h ARG 219 Ca -0.04 -0.07 0.16 0.00 0.07 0.00 0.00 59.98 60.11 2ppb h ARG 219 Cb 1.08 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.02 2ppb h ARG 219 CO 0.07 0.40 0.52 0.93 -1.07 0.00 0.00 179.97 180.82 2ppb h GLU 220 N 0.19 0.36 0.00 0.04 5.08 -0.88 1.00 114.58 120.38 2ppb h GLU 220 Ca 0.07 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 2ppb h GLU 220 Cb 0.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2ppb h GLU 220 CO -0.00 0.24 -0.72 0.45 -1.00 0.00 0.00 179.01 177.97 2ppb h HIS 221 N 0.37 0.00 0.00 4.33 3.86 -1.29 -3.05 115.15 119.37 2ppb h HIS 221 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 2ppb h HIS 221 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 2ppb h HIS 221 CO -0.00 0.72 0.00 1.28 0.86 0.00 0.00 177.93 180.79 2ppb n LEU 222 N -3.39 0.66 0.12 2.43 4.32 0.30 -2.47 117.00 118.97 2ppb n LEU 222 Ca 0.00 0.63 0.11 0.00 -0.02 0.00 0.00 56.01 56.73 2ppb n LEU 222 Cb 0.79 -0.50 0.02 0.00 -1.62 0.00 0.00 43.42 42.11 2ppb n LEU 222 CO 0.43 -0.43 0.13 0.00 -1.22 0.00 0.00 177.39 176.31 2ppb h THR 223 N 0.00 0.03 0.00 -5.08 1.03 -1.32 -3.33 112.91 104.24 2ppb h THR 223 Ca 0.00 -1.05 0.00 0.00 -0.01 0.00 0.00 66.41 65.35 2ppb h THR 223 Cb 0.46 1.61 0.00 0.00 -1.07 0.00 0.00 68.15 69.15 2ppb h THR 223 CO 0.00 0.02 0.00 -1.22 -0.01 0.00 0.00 175.52 174.31 2ppb n TYR 224 N -2.76 0.00 -0.32 0.00 4.01 -1.03 -2.28 117.16 114.78 2ppb n TYR 224 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 2ppb n TYR 224 Cb 0.56 0.00 0.29 0.00 -0.31 0.00 0.00 39.34 39.88 2ppb n TYR 224 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2ppb n PHE 225 N -0.94 1.46 0.01 -0.72 3.01 -1.25 -4.68 117.46 114.34 2ppb n PHE 225 Ca 0.08 -0.51 -0.01 0.00 1.01 0.00 0.00 57.45 58.02 2ppb n PHE 225 Cb 0.04 -0.37 -0.00 0.00 -0.01 0.00 0.00 39.48 39.13 2ppb n PHE 225 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2ppb h SER 226 N 2.91 -0.05 -3.51 4.37 0.87 -1.76 -3.44 113.55 112.94 2ppb h SER 226 Ca 0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.92 2ppb h SER 226 Cb 1.51 0.01 -0.15 0.00 -0.44 0.00 0.00 62.40 63.34 2ppb h SER 226 CO 0.33 0.09 0.24 0.54 -0.53 0.00 0.00 176.83 177.50 2ppb s ASN 227 N -3.57 6.34 0.97 6.23 6.03 -1.26 -5.05 114.94 124.62 2ppb s ASN 227 Ca -0.01 -0.35 -0.12 0.00 -1.03 0.00 0.00 52.86 51.35 2ppb s ASN 227 Cb 0.00 -2.35 0.17 0.00 -3.03 0.00 0.00 41.25 36.04 2ppb s ASN 227 CO 0.02 -0.89 1.08 -2.84 -2.03 0.00 0.00 177.10 172.45 2ppb s PRO 228 N 3.07 0.64 0.00 3.55 0.02 -1.26 -5.21 135.00 135.81 2ppb s PRO 228 Ca 0.25 0.89 0.00 0.00 0.02 0.00 0.00 61.00 62.15 2ppb s PRO 228 Cb -0.14 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.65 2ppb s PRO 228 CO 0.19 -2.68 0.00 0.94 -0.33 0.00 0.00 177.00 175.12