#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfm h GLU 22 N 0.00 0.73 0.00 -0.72 4.11 -2.03 -3.30 114.58 113.37 2jfm h GLU 22 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2jfm h GLU 22 Cb 0.00 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.09 2jfm h GLU 22 CO 0.00 0.48 -0.02 0.72 0.07 0.00 0.00 179.01 180.26 2jfm n HIS 23 N -4.48 0.00 -4.89 2.06 8.25 -1.26 -5.04 115.22 109.86 2jfm n HIS 23 Ca 0.11 -0.57 -0.31 0.00 -0.26 0.00 0.00 57.72 56.68 2jfm n HIS 23 Cb 0.23 -0.07 -0.14 0.00 1.12 0.00 0.00 29.99 31.13 2jfm n HIS 23 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jfm s VAL 24 N -1.38 2.53 -0.48 1.59 1.01 -1.24 -4.21 120.40 118.21 2jfm s VAL 24 Ca 0.08 -1.14 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 2jfm s VAL 24 Cb 0.07 -2.00 0.11 0.00 0.00 0.00 0.00 36.38 34.57 2jfm s VAL 24 CO 0.01 0.44 0.38 -0.89 0.00 0.00 0.00 175.10 175.03 2jfm s THR 25 N -0.80 4.60 0.11 3.92 2.01 -0.73 -4.44 115.64 120.32 2jfm s THR 25 Ca 0.12 -1.55 -0.30 0.00 0.31 0.00 0.00 61.69 60.27 2jfm s THR 25 Cb -0.10 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 2jfm s THR 25 CO 0.02 -0.73 1.10 -0.13 -0.69 0.00 0.00 174.62 174.20 2jfm s ARG 26 N 1.47 4.55 0.00 4.92 3.00 -1.26 -2.56 118.95 129.07 2jfm s ARG 26 Ca 0.04 1.67 0.00 0.00 0.00 0.00 0.00 55.73 57.44 2jfm s ARG 26 Cb -0.26 -3.33 0.00 0.00 0.00 0.00 0.00 34.95 31.36 2jfm s ARG 26 CO 0.02 -0.03 0.00 -0.25 0.00 0.00 0.00 175.30 175.04 2jfm n ASP 27 N 3.07 -0.24 -4.13 0.23 8.00 -1.25 -5.02 116.55 117.20 2jfm n ASP 27 Ca 0.05 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.26 2jfm n ASP 27 Cb 0.47 -0.04 -0.17 0.00 -0.02 0.00 0.00 41.12 41.36 2jfm n ASP 27 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jfm s LEU 28 N 0.00 1.89 -0.10 0.64 1.43 -1.26 -5.09 118.68 116.19 2jfm s LEU 28 Ca 0.00 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.36 2jfm s LEU 28 Cb 0.00 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 2jfm s LEU 28 CO 0.00 0.11 1.59 0.21 0.23 0.00 0.00 176.35 178.48 2jfm s ASN 29 N 0.47 6.66 0.37 2.29 3.84 -1.26 -4.79 114.94 122.52 2jfm s ASN 29 Ca -0.17 2.04 0.28 0.00 0.21 0.00 0.00 52.86 55.22 2jfm s ASN 29 Cb -0.17 -2.53 1.06 0.00 -0.55 0.00 0.00 41.25 39.06 2jfm s ASN 29 CO 0.07 -0.96 1.81 1.55 -2.79 0.00 0.00 177.10 176.77 2jfm h PRO 30 N 9.56 0.00 -0.02 0.43 0.13 -1.97 -1.71 132.00 138.42 2jfm h PRO 30 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2jfm h PRO 30 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jfm h PRO 30 CO 0.96 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.12 2jfm n GLU 31 N -2.61 1.09 0.01 0.86 1.02 -1.26 0.26 120.64 120.01 2jfm n GLU 31 Ca 0.02 -0.13 0.12 0.00 -0.02 0.00 0.00 57.16 57.15 2jfm n GLU 31 Cb 0.30 -1.24 0.19 0.00 -0.02 0.00 0.00 31.44 30.66 2jfm n GLU 31 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2jfm n ASP 32 N -0.60 0.57 -0.08 1.62 8.00 -0.64 -4.48 116.55 120.94 2jfm n ASP 32 Ca 0.11 -0.24 -0.13 0.00 0.71 0.00 0.00 54.79 55.25 2jfm n ASP 32 Cb 0.08 0.35 -0.06 0.00 -0.02 0.00 0.00 41.12 41.47 2jfm n ASP 32 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jfm n PHE 33 N -1.64 0.00 -4.50 1.24 3.01 -0.74 -4.95 117.46 109.88 2jfm n PHE 33 Ca 0.05 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.21 2jfm n PHE 33 Cb 0.36 -0.57 -0.17 0.00 -0.01 0.00 0.00 39.48 39.10 2jfm n PHE 33 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2jfm s TRP 34 N -2.29 2.21 -0.17 1.38 0.52 0.14 -0.60 118.94 120.13 2jfm s TRP 34 Ca -0.21 -1.08 -0.10 0.00 0.02 0.00 0.00 56.10 54.73 2jfm s TRP 34 Cb 0.06 -1.56 -0.05 0.00 -1.15 0.00 0.00 33.47 30.78 2jfm s TRP 34 CO 0.32 -0.53 0.16 -2.00 0.02 0.00 0.00 176.95 174.92 2jfm s GLU 35 N 0.96 4.01 -0.04 4.98 2.12 -0.03 -4.14 118.70 126.56 2jfm s GLU 35 Ca -0.06 -0.13 -0.30 0.00 0.36 0.00 0.00 54.97 54.84 2jfm s GLU 35 Cb -0.15 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 2jfm s GLU 35 CO -0.02 0.42 1.35 0.42 -0.54 0.00 0.00 175.26 176.89 2jfm s ILE 36 N -0.01 3.91 -0.16 -3.70 1.01 -1.26 -1.42 121.20 119.56 2jfm s ILE 36 Ca 0.11 1.24 0.13 0.00 0.00 0.00 0.00 60.65 62.14 2jfm s ILE 36 Cb -0.12 -3.80 -0.19 0.00 0.01 0.00 0.00 42.46 38.36 2jfm s ILE 36 CO 0.01 -0.02 0.04 -0.38 0.00 0.00 0.00 174.94 174.58 2jfm n ILE 37 N 4.80 1.11 -3.46 2.92 5.41 0.09 -4.99 119.36 125.23 2jfm n ILE 37 Ca 0.13 -0.67 -0.01 0.00 1.00 0.00 0.00 62.75 63.20 2jfm n ILE 37 Cb 0.44 -0.62 0.01 0.00 -0.71 0.00 0.00 39.64 38.76 2jfm n ILE 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jfm n GLY 38 N 2.05 1.28 3.91 7.39 0.00 -1.20 -4.99 105.19 113.62 2jfm n GLY 38 Ca -0.27 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 2jfm n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jfm s GLU 39 N -2.02 3.57 0.00 1.61 2.02 -1.26 -1.04 118.70 121.58 2jfm s GLU 39 Ca 0.06 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.85 2jfm s GLU 39 Cb -0.01 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.39 2jfm s GLU 39 CO 0.02 0.42 0.00 1.28 0.02 0.00 0.00 175.26 177.01 2jfm n LEU 40 N -0.29 0.00 0.00 1.80 4.32 0.55 -4.57 117.00 118.81 2jfm n LEU 40 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 2jfm n LEU 40 Cb 0.53 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 2jfm n LEU 40 CO 0.49 -0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.14 2jfm n GLY 41 N 3.56 4.40 2.73 -0.72 0.00 -1.24 -5.05 105.19 108.87 2jfm n GLY 41 Ca 0.00 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.99 2jfm n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jfm n ASP 42 N 0.00 -2.43 -4.72 1.61 4.64 -1.26 -3.97 116.55 110.42 2jfm n ASP 42 Ca 0.00 -3.46 -0.42 0.00 -1.38 0.00 0.00 54.79 49.53 2jfm n ASP 42 Cb 0.00 1.84 -0.03 0.00 -1.04 0.00 0.00 41.12 41.89 2jfm n ASP 42 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 2jfm s GLY 43 N -1.32 1.31 0.00 0.27 0.00 -1.25 -4.87 107.32 101.47 2jfm s GLY 43 Ca 0.25 1.52 0.04 0.00 0.00 0.00 0.00 44.72 46.53 2jfm s GLY 43 CO -0.12 2.81 0.67 0.00 0.00 0.00 0.00 173.10 176.46 2jfm n ALA 44 N 4.02 1.64 -0.01 3.20 0.00 -1.26 -0.70 120.51 127.40 2jfm n ALA 44 Ca 0.15 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.40 2jfm n ALA 44 Cb 0.36 -1.06 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 2jfm n ALA 44 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jfm h PHE 45 N 0.00 0.97 0.00 0.00 -0.00 -1.98 -3.50 116.94 112.43 2jfm h PHE 45 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 57.97 57.53 2jfm h PHE 45 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 35.95 35.81 2jfm h PHE 45 CO 0.00 1.27 0.00 0.41 -0.00 0.00 0.00 178.31 179.99 2jfm n GLY 46 N 0.77 2.75 3.90 6.09 0.00 0.12 -4.53 105.19 114.29 2jfm n GLY 46 Ca -0.08 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 2jfm n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jfm s LYS 47 N 2.90 3.27 -0.02 1.61 1.02 -1.25 -3.76 119.74 123.51 2jfm s LYS 47 Ca 0.00 -0.71 0.04 0.00 0.02 0.00 0.00 55.97 55.31 2jfm s LYS 47 Cb 0.00 -2.85 -0.01 0.00 -0.52 0.00 0.00 37.83 34.46 2jfm s LYS 47 CO 0.00 0.49 -0.13 0.08 -0.92 0.00 0.00 175.35 174.88 2jfm s VAL 48 N -1.79 1.04 0.04 3.17 1.01 -1.25 -3.00 120.40 119.62 2jfm s VAL 48 Ca 0.33 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.84 2jfm s VAL 48 Cb -0.10 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2jfm s VAL 48 CO 0.27 0.30 -0.19 -0.31 0.00 0.00 0.00 175.10 175.18 2jfm s TYR 49 N -0.11 1.63 -0.15 5.22 1.51 -0.19 -0.33 117.35 124.93 2jfm s TYR 49 Ca 0.01 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.41 2jfm s TYR 49 Cb -0.07 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 2jfm s TYR 49 CO 0.00 0.08 1.68 -1.59 -1.11 0.00 0.00 175.55 174.61 2jfm s LYS 50 N -1.19 3.91 0.16 -0.62 0.00 -0.21 -1.34 119.74 120.45 2jfm s LYS 50 Ca 0.06 1.92 0.10 0.00 0.00 0.00 0.00 55.97 58.04 2jfm s LYS 50 Cb -0.09 -4.04 -0.04 0.00 0.00 0.00 0.00 37.83 33.66 2jfm s LYS 50 CO 0.02 -1.17 -0.17 0.00 0.00 0.00 0.00 175.35 174.03 2jfm s ALA 51 N 4.95 2.73 -0.03 0.59 0.00 0.14 -0.73 121.76 129.41 2jfm s ALA 51 Ca 0.75 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 2jfm s ALA 51 Cb -0.29 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.27 2jfm s ALA 51 CO 0.30 0.50 0.05 -1.14 0.00 0.00 0.00 175.76 175.48 2jfm s GLN 52 N -2.53 -0.02 0.11 0.00 0.74 -0.51 -1.03 119.66 116.42 2jfm s GLN 52 Ca 0.21 0.22 -0.31 0.00 0.05 0.00 0.00 55.36 55.53 2jfm s GLN 52 Cb -0.09 -0.24 -0.09 0.00 1.10 0.00 0.00 33.01 33.69 2jfm s GLN 52 CO 0.12 -0.17 1.64 1.21 -0.55 0.00 0.00 175.29 177.54 2jfm s ASN 53 N 1.09 6.58 0.36 6.67 3.84 -0.36 -0.85 114.94 132.27 2jfm s ASN 53 Ca -0.09 2.56 0.12 0.00 0.21 0.00 0.00 52.86 55.66 2jfm s ASN 53 Cb -0.13 -2.57 0.69 0.00 -0.55 0.00 0.00 41.25 38.69 2jfm s ASN 53 CO -0.04 -0.88 1.82 0.11 -2.79 0.00 0.00 177.10 175.32 2jfm h LYS 54 N 7.83 0.05 0.00 0.43 1.57 -1.21 0.51 116.57 125.75 2jfm h LYS 54 Ca -0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2jfm h LYS 54 Cb 1.20 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2jfm h LYS 54 CO 0.93 0.40 -0.26 1.49 -0.57 0.00 0.00 179.45 181.44 2jfm h GLU 55 N 0.05 0.00 0.00 3.15 4.57 -1.91 -3.41 114.58 117.03 2jfm h GLU 55 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2jfm h GLU 55 Cb 0.65 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 2jfm h GLU 55 CO 0.05 0.00 -0.04 1.79 -1.18 0.00 0.00 179.01 179.63 2jfm h THR 56 N -0.54 0.07 -0.07 0.32 1.35 -1.95 -3.47 112.91 108.61 2jfm h THR 56 Ca 0.00 -1.03 -0.03 0.00 -0.55 0.00 0.00 66.41 64.80 2jfm h THR 56 Cb 0.26 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 2jfm h THR 56 CO 0.00 0.04 -0.03 -1.20 -0.25 0.00 0.00 175.52 174.08 2jfm n SER 57 N -3.11 -5.16 -4.74 5.36 7.64 0.17 -4.97 113.62 108.82 2jfm n SER 57 Ca 0.03 0.04 -0.42 0.00 1.01 0.00 0.00 58.87 59.54 2jfm n SER 57 Cb 0.52 -2.79 -0.02 0.00 -1.01 0.00 0.00 64.21 60.90 2jfm n SER 57 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jfm s VAL 58 N -1.40 2.37 0.43 0.44 1.01 -1.26 -4.51 120.40 117.47 2jfm s VAL 58 Ca 0.00 0.29 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 2jfm s VAL 58 Cb 0.00 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 2jfm s VAL 58 CO 0.00 0.04 0.88 -0.76 0.00 0.00 0.00 175.10 175.25 2jfm s LEU 59 N 0.24 3.85 0.01 3.92 1.43 -1.26 -1.23 118.68 125.64 2jfm s LEU 59 Ca 0.66 1.45 -0.21 0.00 -1.03 0.00 0.00 54.13 55.01 2jfm s LEU 59 Cb -0.45 -4.33 0.04 0.00 0.03 0.00 0.00 46.19 41.48 2jfm s LEU 59 CO 0.40 -0.40 0.46 0.00 0.23 0.00 0.00 176.35 177.03 2jfm s ALA 60 N -2.31 -1.15 -0.27 4.21 0.00 -0.20 -3.92 121.76 118.12 2jfm s ALA 60 Ca 0.57 0.58 -0.21 0.00 0.00 0.00 0.00 51.96 52.90 2jfm s ALA 60 Cb -0.10 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2jfm s ALA 60 CO 0.23 -0.38 0.64 0.00 0.00 0.00 0.00 175.76 176.25 2jfm s ALA 61 N -1.84 3.59 -0.39 0.00 0.00 0.17 -0.68 121.76 122.61 2jfm s ALA 61 Ca -0.09 -0.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.30 2jfm s ALA 61 Cb -0.02 -3.07 0.05 0.00 0.00 0.00 0.00 23.12 20.08 2jfm s ALA 61 CO 0.02 -0.89 0.22 0.00 0.00 0.00 0.00 175.76 175.12 2jfm s ALA 62 N 2.56 3.27 -0.34 0.00 0.00 -0.45 -1.08 121.76 125.73 2jfm s ALA 62 Ca 0.27 -1.86 -0.23 0.00 0.00 0.00 0.00 51.96 50.14 2jfm s ALA 62 Cb -0.15 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.37 2jfm s ALA 62 CO 0.09 -1.48 0.75 0.15 0.00 0.00 0.00 175.76 175.28 2jfm s LYS 63 N 1.51 3.83 -0.43 0.00 3.01 0.47 -1.02 119.74 127.11 2jfm s LYS 63 Ca 0.02 0.37 -0.14 0.00 -1.01 0.00 0.00 55.97 55.21 2jfm s LYS 63 Cb -0.21 -3.77 0.05 0.00 -1.01 0.00 0.00 37.83 32.89 2jfm s LYS 63 CO 0.05 -0.75 0.32 0.08 0.51 0.00 0.00 175.35 175.55 2jfm s VAL 64 N 2.96 4.99 -0.27 3.17 1.01 -1.16 -0.40 120.40 130.70 2jfm s VAL 64 Ca 0.30 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 2jfm s VAL 64 Cb -0.14 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2jfm s VAL 64 CO 0.15 -0.43 0.15 -0.63 0.00 0.00 0.00 175.10 174.34 2jfm s ILE 65 N 1.61 4.99 0.31 2.22 1.09 0.17 -3.88 121.20 127.71 2jfm s ILE 65 Ca 0.04 0.06 -0.29 0.00 -1.10 0.00 0.00 60.65 59.36 2jfm s ILE 65 Cb -0.22 -3.36 -0.10 0.00 -1.06 0.00 0.00 42.46 37.72 2jfm s ILE 65 CO 0.07 0.28 1.24 -0.62 -0.10 0.00 0.00 174.94 175.81 2jfm s ASP 66 N 1.67 6.94 -0.07 3.58 2.15 -1.26 -0.84 116.67 128.84 2jfm s ASP 66 Ca 0.07 2.54 -0.01 0.00 0.43 0.00 0.00 52.55 55.58 2jfm s ASP 66 Cb -0.16 -2.64 0.03 0.00 -0.30 0.00 0.00 42.92 39.85 2jfm s ASP 66 CO 0.08 -0.41 -0.01 0.42 -0.17 0.00 0.00 175.17 175.09 2jfm s THR 67 N -1.08 0.43 0.13 1.71 -4.23 -0.66 -4.92 115.64 107.02 2jfm s THR 67 Ca 0.48 0.08 -0.18 0.00 -1.18 0.00 0.00 61.69 60.89 2jfm s THR 67 Cb -0.37 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 2jfm s THR 67 CO 0.48 0.26 1.78 0.07 -0.54 0.00 0.00 174.62 176.68 2jfm h LYS 68 N 8.24 0.33 0.00 3.99 -0.00 -1.96 -3.43 116.57 123.73 2jfm h LYS 68 Ca -0.22 -0.02 -0.51 0.00 -0.00 0.00 0.00 60.65 59.90 2jfm h LYS 68 Cb 1.13 -0.07 -0.11 0.00 -0.00 0.00 0.00 32.23 33.17 2jfm h LYS 68 CO 0.28 0.22 -0.42 -1.13 -0.00 0.00 0.00 179.45 178.40 2jfm n SER 69 N -4.93 1.51 0.03 7.07 3.41 -1.26 -5.04 113.62 114.42 2jfm n SER 69 Ca -0.02 -2.94 -0.01 0.00 -0.26 0.00 0.00 58.87 55.64 2jfm n SER 69 Cb 0.04 0.83 -0.08 0.00 -0.26 0.00 0.00 64.21 64.73 2jfm n SER 69 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2jfm h GLU 70 N 0.00 0.00 -0.12 4.33 4.81 -2.03 -3.29 114.58 118.28 2jfm h GLU 70 Ca -0.30 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.97 2jfm h GLU 70 Cb 1.09 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 2jfm h GLU 70 CO 0.47 0.35 0.13 0.93 -0.73 0.00 0.00 179.01 180.16 2jfm h GLU 71 N 0.00 0.00 0.00 1.92 5.08 -2.01 -2.12 114.58 117.45 2jfm h GLU 71 Ca -0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2jfm h GLU 71 Cb 1.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 2jfm h GLU 71 CO 0.05 0.00 -0.06 0.93 -1.00 0.00 0.00 179.01 178.93 2jfm h GLU 72 N 0.00 0.00 -0.43 2.33 5.08 -1.99 -3.03 114.58 116.54 2jfm h GLU 72 Ca 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2jfm h GLU 72 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2jfm h GLU 72 CO -0.00 0.06 0.18 -0.07 -1.00 0.00 0.00 179.01 178.19 2jfm h LEU 73 N 0.00 0.55 -1.76 1.33 4.07 -1.57 -1.80 115.31 116.12 2jfm h LEU 73 Ca -0.00 -0.05 0.11 0.00 0.08 0.00 0.00 57.88 58.01 2jfm h LEU 73 Cb 0.47 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 2jfm h LEU 73 CO 0.01 0.49 0.37 -0.33 -1.08 0.00 0.00 178.44 177.90 2jfm h GLU 74 N 0.61 0.26 -0.12 1.13 3.07 -1.71 -1.48 114.58 116.34 2jfm h GLU 74 Ca 0.15 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.03 2jfm h GLU 74 Cb 0.10 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 2jfm h GLU 74 CO -0.02 0.17 0.14 -0.44 -1.40 0.00 0.00 179.01 177.46 2jfm h ASP 75 N 0.26 0.00 -0.01 1.42 5.19 -1.50 -2.97 116.42 118.82 2jfm h ASP 75 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2jfm h ASP 75 Cb 0.64 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.15 2jfm h ASP 75 CO -0.05 0.00 -0.29 -1.22 -3.12 0.00 0.00 179.24 174.55 2jfm n TYR 76 N -3.78 0.00 0.76 4.55 4.02 -0.57 -4.62 117.16 117.52 2jfm n TYR 76 Ca -0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.96 2jfm n TYR 76 Cb 0.24 0.00 0.39 0.00 -0.02 0.00 0.00 39.34 39.95 2jfm n TYR 76 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2jfm n MET 77 N -0.52 0.29 0.00 -0.72 2.81 -1.12 -2.44 117.12 115.42 2jfm n MET 77 Ca 0.04 0.10 -0.22 0.00 -1.81 0.00 0.00 57.70 55.81 2jfm n MET 77 Cb 0.20 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.08 2jfm n MET 77 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2jfm h VAL 78 N 0.00 0.67 -0.16 2.03 2.07 -1.82 -2.60 116.25 116.45 2jfm h VAL 78 Ca 0.00 -2.34 0.04 0.00 0.82 0.00 0.00 66.70 65.23 2jfm h VAL 78 Cb 0.09 2.50 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 2jfm h VAL 78 CO 0.00 0.85 -0.14 -0.08 0.02 0.00 0.00 177.57 178.22 2jfm h GLU 79 N -0.02 -0.15 -0.99 1.57 4.81 -1.64 0.11 114.58 118.27 2jfm h GLU 79 Ca -0.41 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.87 2jfm h GLU 79 Cb 1.98 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 31.33 2jfm h GLU 79 CO 0.07 -0.10 0.65 0.82 -0.73 0.00 0.00 179.01 179.72 2jfm h ILE 80 N -0.16 1.16 0.02 2.32 1.08 -1.65 -0.53 117.51 119.75 2jfm h ILE 80 Ca 0.10 -0.43 -0.18 0.00 -0.39 0.00 0.00 64.86 63.97 2jfm h ILE 80 Cb 0.31 -0.19 0.02 0.00 -3.07 0.00 0.00 36.82 33.88 2jfm h ILE 80 CO -0.26 0.23 -0.71 -0.78 -0.69 0.00 0.00 178.15 175.94 2jfm h ASP 81 N 1.24 0.58 0.01 1.72 3.58 -1.10 -0.91 116.42 121.55 2jfm h ASP 81 Ca 0.40 -0.78 0.03 0.00 0.42 0.00 0.00 57.03 57.10 2jfm h ASP 81 Cb 0.03 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 40.85 2jfm h ASP 81 CO -0.13 1.30 -0.44 0.40 -2.88 0.00 0.00 179.24 177.48 2jfm h ILE 82 N -0.06 0.12 -0.68 2.25 5.03 -0.66 -1.27 117.51 122.23 2jfm h ILE 82 Ca -0.09 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.64 2jfm h ILE 82 Cb 1.43 0.12 -0.03 0.00 -3.03 0.00 0.00 36.82 35.30 2jfm h ILE 82 CO 0.14 0.00 0.41 -0.07 -0.68 0.00 0.00 178.15 177.95 2jfm h LEU 83 N -0.60 0.82 -0.81 1.44 3.38 -1.09 0.35 115.31 118.79 2jfm h LEU 83 Ca 0.04 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2jfm h LEU 83 Cb 0.67 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2jfm h LEU 83 CO -0.32 0.64 -0.21 0.00 0.09 0.00 0.00 178.44 178.63 2jfm h ALA 84 N 1.22 0.99 0.00 1.53 0.00 -1.12 -3.22 119.26 118.66 2jfm h ALA 84 Ca 0.25 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2jfm h ALA 84 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2jfm h ALA 84 CO -0.05 0.60 -1.27 0.66 0.00 0.00 0.00 179.25 179.19 2jfm h SER 85 N 0.58 0.00 -3.83 0.00 4.64 -1.04 -3.46 113.55 110.43 2jfm h SER 85 Ca 0.09 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.89 2jfm h SER 85 Cb 0.68 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.81 2jfm h SER 85 CO 0.05 0.40 0.56 0.00 -0.87 0.00 0.00 176.83 176.97 2jfm s ASP 87 N -0.65 2.13 -0.03 0.00 -1.08 -1.26 -4.93 116.67 110.85 2jfm s ASP 87 Ca 0.47 -2.44 -0.04 0.00 -0.52 0.00 0.00 52.55 50.02 2jfm s ASP 87 Cb -0.36 -0.26 0.01 0.00 -1.46 0.00 0.00 42.92 40.84 2jfm s ASP 87 CO 0.47 -0.25 0.11 -2.28 0.52 0.00 0.00 175.17 173.74 2jfm s HIS 88 N 0.74 -0.08 0.60 -5.34 2.46 -1.26 -5.05 115.29 107.36 2jfm s HIS 88 Ca 0.24 0.20 0.32 0.00 0.47 0.00 0.00 55.06 56.28 2jfm s HIS 88 Cb -0.12 0.02 1.92 0.00 -0.13 0.00 0.00 32.58 34.26 2jfm s HIS 88 CO -0.07 -0.11 2.27 -1.00 -2.47 0.00 0.00 174.74 173.37 2jfm h PRO 89 N 5.61 0.00 -0.36 2.88 0.13 -2.00 -2.68 132.00 135.59 2jfm h PRO 89 Ca -0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2jfm h PRO 89 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jfm h PRO 89 CO 0.43 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.29 2jfm n ASN 90 N -3.73 4.41 -4.04 1.44 4.13 -1.26 -4.84 115.26 111.37 2jfm n ASN 90 Ca -0.03 -3.01 -0.27 0.00 1.68 0.00 0.00 54.58 52.95 2jfm n ASN 90 Cb 0.09 -0.59 -0.17 0.00 -1.54 0.00 0.00 39.78 37.57 2jfm n ASN 90 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2jfm s ILE 91 N -2.83 1.35 0.45 2.41 1.01 -1.01 -1.15 121.20 121.43 2jfm s ILE 91 Ca 0.46 -0.57 -0.23 0.00 0.00 0.00 0.00 60.65 60.31 2jfm s ILE 91 Cb 0.37 -1.24 -0.10 0.00 0.01 0.00 0.00 42.46 41.50 2jfm s ILE 91 CO 0.11 0.41 0.89 1.33 0.00 0.00 0.00 174.94 177.68 2jfm n VAL 92 N 4.05 2.45 -4.07 2.92 0.24 -1.06 -4.61 118.33 118.25 2jfm n VAL 92 Ca -0.20 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.27 2jfm n VAL 92 Cb 0.51 -1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 31.81 2jfm n VAL 92 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jfm s LYS 93 N -2.02 3.08 -0.08 7.34 1.02 -1.26 -4.90 119.74 122.93 2jfm s LYS 93 Ca 0.65 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.85 2jfm s LYS 93 Cb -0.55 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 2jfm s LYS 93 CO 0.56 0.64 1.01 -1.17 -0.92 0.00 0.00 175.35 175.47 2jfm s LEU 94 N -1.85 4.28 -0.17 3.17 2.96 -1.25 -1.19 118.68 124.63 2jfm s LEU 94 Ca 0.24 1.58 -0.01 0.00 -0.22 0.00 0.00 54.13 55.72 2jfm s LEU 94 Cb -0.12 -3.56 -0.22 0.00 0.50 0.00 0.00 46.19 42.79 2jfm s LEU 94 CO 0.16 -0.41 0.14 0.18 -1.32 0.00 0.00 176.35 175.10 2jfm n LEU 95 N 4.74 2.54 -3.64 -0.68 4.77 0.14 -4.91 117.00 119.96 2jfm n LEU 95 Ca 0.08 0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 56.09 2jfm n LEU 95 Cb 0.49 -0.88 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 2jfm n LEU 95 CO 0.52 0.84 1.04 -0.62 -1.33 0.00 0.00 177.39 177.84 2jfm s ASP 96 N -6.71 -0.16 0.00 -1.43 -1.08 -1.02 -5.02 116.67 101.26 2jfm s ASP 96 Ca -0.26 0.25 -0.02 0.00 -0.52 0.00 0.00 52.55 52.00 2jfm s ASP 96 Cb 0.08 0.23 -0.01 0.00 -1.46 0.00 0.00 42.92 41.76 2jfm s ASP 96 CO 0.71 -0.09 0.03 0.00 0.52 0.00 0.00 175.17 176.34 2jfm s ALA 97 N -0.41 -0.04 -0.08 3.66 0.00 -1.26 -0.28 121.76 123.35 2jfm s ALA 97 Ca 0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.70 2jfm s ALA 97 Cb -0.03 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.19 2jfm s ALA 97 CO -0.09 -0.12 0.20 -0.06 0.00 0.00 0.00 175.76 175.69 2jfm s PHE 98 N -0.95 -0.24 -0.28 0.00 0.40 -0.74 -1.77 117.98 114.40 2jfm s PHE 98 Ca -0.10 0.60 -0.07 0.00 -0.60 0.00 0.00 56.93 56.75 2jfm s PHE 98 Cb -0.06 0.04 -0.01 0.00 0.51 0.00 0.00 43.02 43.50 2jfm s PHE 98 CO -0.00 -0.16 0.09 -0.47 0.70 0.00 0.00 175.22 175.38 2jfm s TYR 99 N 0.66 3.12 -0.20 0.36 6.04 -1.06 -0.47 117.35 125.79 2jfm s TYR 99 Ca -0.05 -0.70 -0.08 0.00 0.04 0.00 0.00 57.07 56.28 2jfm s TYR 99 Cb -0.06 -2.26 0.08 0.00 -1.04 0.00 0.00 41.96 38.68 2jfm s TYR 99 CO -0.04 -0.47 0.45 -0.47 -1.54 0.00 0.00 175.55 173.48 2jfm s TYR 100 N 1.56 -0.81 -1.28 4.97 5.04 -0.96 -3.82 117.35 122.05 2jfm s TYR 100 Ca 0.04 1.57 -0.16 0.00 -2.44 0.00 0.00 57.07 56.09 2jfm s TYR 100 Cb -0.16 0.36 0.01 0.00 0.35 0.00 0.00 41.96 42.52 2jfm s TYR 100 CO 0.03 -0.46 0.57 0.39 -1.34 0.00 0.00 175.55 174.74 2jfm n GLU 101 N 5.02 -1.53 -2.77 4.97 1.02 -1.26 -2.55 120.64 123.54 2jfm n GLU 101 Ca -0.14 0.30 -0.21 0.00 -0.02 0.00 0.00 57.16 57.10 2jfm n GLU 101 Cb 0.52 -3.77 0.02 0.00 -0.02 0.00 0.00 31.44 28.19 2jfm n GLU 101 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2jfm n ASN 102 N -2.66 -5.81 -4.04 1.62 3.02 -1.26 -5.01 115.26 101.13 2jfm n ASN 102 Ca -0.19 -0.18 -0.15 0.00 -0.03 0.00 0.00 54.58 54.03 2jfm n ASN 102 Cb 0.62 -4.70 -0.13 0.00 -0.61 0.00 0.00 39.78 34.97 2jfm n ASN 102 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2jfm s ASN 103 N -2.52 0.89 -0.19 6.41 0.01 -1.06 -1.65 114.94 116.84 2jfm s ASN 103 Ca 0.19 -0.41 -0.09 0.00 -0.71 0.00 0.00 52.86 51.85 2jfm s ASN 103 Cb -0.08 -0.01 -0.05 0.00 0.41 0.00 0.00 41.25 41.52 2jfm s ASN 103 CO 0.23 -0.10 0.10 -0.22 -1.51 0.00 0.00 177.10 175.60 2jfm s LEU 104 N -1.10 4.01 -0.21 0.60 2.96 -0.02 -2.26 118.68 122.65 2jfm s LEU 104 Ca -0.05 0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.93 2jfm s LEU 104 Cb -0.07 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 2jfm s LEU 104 CO 0.00 0.17 0.10 0.26 -1.32 0.00 0.00 176.35 175.57 2jfm s TRP 105 N 0.38 3.26 -0.15 5.38 0.52 0.38 -0.66 118.94 128.05 2jfm s TRP 105 Ca 0.06 0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.26 2jfm s TRP 105 Cb -0.12 -2.18 0.01 0.00 -1.15 0.00 0.00 33.47 30.03 2jfm s TRP 105 CO -0.01 0.06 -0.19 0.42 0.02 0.00 0.00 176.95 177.24 2jfm s ILE 106 N 0.80 2.28 -0.27 2.03 1.01 0.47 -1.80 121.20 125.72 2jfm s ILE 106 Ca 0.05 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 2jfm s ILE 106 Cb -0.13 -1.93 0.05 0.00 0.01 0.00 0.00 42.46 40.45 2jfm s ILE 106 CO 0.02 0.54 -0.06 -0.76 0.00 0.00 0.00 174.94 174.68 2jfm s LEU 107 N 0.87 3.55 0.15 2.97 1.02 0.61 -0.39 118.68 127.46 2jfm s LEU 107 Ca -0.05 -1.21 0.08 0.00 0.02 0.00 0.00 54.13 52.97 2jfm s LEU 107 Cb -0.15 -1.64 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 2jfm s LEU 107 CO -0.02 -0.20 -0.08 -0.63 0.02 0.00 0.00 176.35 175.44 2jfm s ILE 108 N 1.22 3.35 0.40 -0.59 1.01 -0.24 0.27 121.20 126.62 2jfm s ILE 108 Ca -0.05 -1.48 -0.26 0.00 0.00 0.00 0.00 60.65 58.86 2jfm s ILE 108 Cb -0.19 -2.63 -0.09 0.00 0.01 0.00 0.00 42.46 39.56 2jfm s ILE 108 CO -0.03 -0.03 1.31 -1.83 0.00 0.00 0.00 174.94 174.35 2jfm s GLU 109 N -2.64 4.00 -0.34 2.79 -1.05 -0.33 -0.66 118.70 120.48 2jfm s GLU 109 Ca 0.24 2.17 -0.16 0.00 -0.15 0.00 0.00 54.97 57.07 2jfm s GLU 109 Cb -0.10 -2.79 -0.01 0.00 -0.44 0.00 0.00 34.13 30.80 2jfm s GLU 109 CO 0.15 -0.47 0.39 0.12 0.95 0.00 0.00 175.26 176.40 2jfm s PHE 110 N -1.25 3.21 -0.33 4.83 5.36 -1.25 -4.58 117.98 123.96 2jfm s PHE 110 Ca 0.56 0.01 -0.20 0.00 -0.96 0.00 0.00 56.93 56.35 2jfm s PHE 110 Cb -0.38 -2.71 -0.01 0.00 -0.34 0.00 0.00 43.02 39.58 2jfm s PHE 110 CO 0.49 -0.45 0.60 0.00 -1.46 0.00 0.00 175.22 174.40 2jfm h ALA 112 N 8.34 1.18 -0.18 0.00 0.00 -1.82 -3.30 119.26 123.48 2jfm h ALA 112 Ca -0.27 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.08 2jfm h ALA 112 Cb 1.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2jfm h ALA 112 CO 0.80 0.60 -0.43 0.78 0.00 0.00 0.00 179.25 180.99 2jfm h GLY 113 N 1.38 0.47 0.00 0.00 0.00 0.82 -3.47 103.07 102.28 2jfm h GLY 113 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2jfm h GLY 113 CO 0.06 0.43 0.00 0.61 0.00 0.00 0.00 176.54 177.64 2jfm n GLY 114 N -0.02 2.16 3.78 4.60 0.00 -1.24 -4.90 105.19 109.57 2jfm n GLY 114 Ca -0.02 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.50 2jfm n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jfm s ALA 115 N -1.92 3.18 0.39 4.61 0.00 -1.26 -1.64 121.76 125.12 2jfm s ALA 115 Ca 0.00 0.69 0.14 0.00 0.00 0.00 0.00 51.96 52.79 2jfm s ALA 115 Cb 0.00 -3.26 0.99 0.00 0.00 0.00 0.00 23.12 20.85 2jfm s ALA 115 CO 0.00 -0.10 1.86 0.28 0.00 0.00 0.00 175.76 177.80 2jfm h VAL 116 N 2.48 0.73 0.08 0.00 2.07 -1.17 0.57 116.25 121.01 2jfm h VAL 116 Ca -0.48 -0.17 -0.25 0.00 0.82 0.00 0.00 66.70 66.62 2jfm h VAL 116 Cb 1.21 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2jfm h VAL 116 CO 0.64 0.09 -1.11 -2.24 0.02 0.00 0.00 177.57 174.97 2jfm h ASP 117 N 0.51 0.48 -0.26 0.57 2.03 -1.85 -3.06 116.42 114.83 2jfm h ASP 117 Ca 0.46 -0.45 0.05 0.00 -0.73 0.00 0.00 57.03 56.36 2jfm h ASP 117 Cb 1.00 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.33 2jfm h ASP 117 CO -0.19 1.30 0.18 0.00 -1.03 0.00 0.00 179.24 179.50 2jfm h ALA 118 N 0.65 2.09 -0.07 4.15 0.00 -1.27 -1.80 119.26 123.00 2jfm h ALA 118 Ca -0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2jfm h ALA 118 Cb 1.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2jfm h ALA 118 CO 0.19 -0.15 -0.17 0.28 0.00 0.00 0.00 179.25 179.40 2jfm h VAL 119 N 0.13 1.42 -0.54 0.00 2.07 -1.38 -2.09 116.25 115.85 2jfm h VAL 119 Ca 0.12 -1.52 0.09 0.00 0.82 0.00 0.00 66.70 66.20 2jfm h VAL 119 Cb 0.31 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 2jfm h VAL 119 CO -0.01 0.43 0.37 0.24 0.02 0.00 0.00 177.57 178.61 2jfm h MET 120 N -0.26 0.37 -0.02 1.57 2.86 -1.30 0.12 114.93 118.27 2jfm h MET 120 Ca -0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2jfm h MET 120 Cb 0.78 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2jfm h MET 120 CO 0.04 0.25 -0.04 1.25 1.06 0.00 0.00 176.91 179.46 2jfm h LEU 121 N 0.38 0.06 -0.41 1.22 5.85 -1.36 0.30 115.31 121.36 2jfm h LEU 121 Ca 0.25 -0.60 0.07 0.00 0.84 0.00 0.00 57.88 58.44 2jfm h LEU 121 Cb 0.47 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 2jfm h LEU 121 CO -0.06 0.65 0.02 -0.33 -0.34 0.00 0.00 178.44 178.38 2jfm h GLU 122 N -0.52 0.13 0.00 1.25 3.07 -0.68 -2.47 114.58 115.35 2jfm h GLU 122 Ca -0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2jfm h GLU 122 Cb 0.64 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2jfm h GLU 122 CO 0.01 0.09 -0.21 1.28 -1.40 0.00 0.00 179.01 178.78 2jfm n LEU 123 N -5.17 0.35 -1.46 1.33 4.77 0.34 -4.94 117.00 112.22 2jfm n LEU 123 Ca 0.03 0.35 -0.19 0.00 -0.03 0.00 0.00 56.01 56.16 2jfm n LEU 123 Cb 0.21 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.85 2jfm n LEU 123 CO 0.20 -0.00 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.46 2jfm n GLU 124 N -1.70 -1.33 -3.96 3.23 1.02 0.10 -4.97 120.64 113.03 2jfm n GLU 124 Ca 0.06 1.17 -0.08 0.00 -0.02 0.00 0.00 57.16 58.29 2jfm n GLU 124 Cb 0.37 -5.48 -0.08 0.00 -0.02 0.00 0.00 31.44 26.22 2jfm n GLU 124 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2jfm s ARG 125 N -3.62 0.77 0.84 3.49 1.70 -0.92 -5.01 118.95 116.20 2jfm s ARG 125 Ca 0.00 -1.08 -0.12 0.00 -0.47 0.00 0.00 55.73 54.06 2jfm s ARG 125 Cb 0.00 0.29 0.10 0.00 -0.57 0.00 0.00 34.95 34.77 2jfm s ARG 125 CO 0.00 -0.21 1.16 -1.25 -1.08 0.00 0.00 175.30 173.92 2jfm s PRO 126 N -3.89 1.70 0.69 3.89 0.04 -1.26 -4.40 135.00 131.76 2jfm s PRO 126 Ca 0.07 0.18 -0.15 0.00 0.04 0.00 0.00 61.00 61.14 2jfm s PRO 126 Cb 0.06 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.71 2jfm s PRO 126 CO -0.10 -1.79 1.16 -0.51 0.04 0.00 0.00 177.00 175.80 2jfm s LEU 127 N -5.73 3.37 0.78 -3.56 1.02 -0.67 -5.01 118.68 108.88 2jfm s LEU 127 Ca 0.63 2.20 -0.09 0.00 0.02 0.00 0.00 54.13 56.89 2jfm s LEU 127 Cb -0.12 -4.57 0.10 0.00 0.02 0.00 0.00 46.19 41.62 2jfm s LEU 127 CO 0.51 -1.95 1.11 0.42 0.02 0.00 0.00 176.35 176.46 2jfm s THR 128 N -2.11 2.14 0.29 5.49 -4.23 -1.26 -4.69 115.64 111.26 2jfm s THR 128 Ca 0.71 -0.19 0.20 0.00 -1.18 0.00 0.00 61.69 61.23 2jfm s THR 128 Cb -0.25 -2.95 0.17 0.00 1.34 0.00 0.00 72.50 70.80 2jfm s THR 128 CO 0.43 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 176.28 2jfm h GLU 129 N -0.92 0.00 0.01 3.99 4.81 -1.96 0.30 114.58 120.82 2jfm h GLU 129 Ca -0.44 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.59 2jfm h GLU 129 Cb 1.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 2jfm h GLU 129 CO 0.55 0.30 -0.92 0.66 -0.73 0.00 0.00 179.01 178.86 2jfm h SER 130 N 0.00 0.11 0.20 1.04 4.64 -1.99 -1.08 113.55 116.47 2jfm h SER 130 Ca -0.00 -0.10 -0.20 0.00 -0.47 0.00 0.00 61.79 61.02 2jfm h SER 130 Cb 0.67 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2jfm h SER 130 CO 0.04 0.97 -0.78 1.56 -0.87 0.00 0.00 176.83 177.75 2jfm h GLN 131 N 0.04 0.48 -0.59 4.77 4.20 -1.76 -2.79 115.11 119.45 2jfm h GLN 131 Ca -0.03 -0.41 -0.09 0.00 0.06 0.00 0.00 58.65 58.18 2jfm h GLN 131 Cb 1.60 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.45 2jfm h GLN 131 CO 0.13 1.05 0.01 0.82 -0.67 0.00 0.00 178.83 180.17 2jfm h ILE 132 N 0.31 1.26 -0.66 2.54 2.04 -0.91 -2.90 117.51 119.20 2jfm h ILE 132 Ca -0.04 -1.11 0.07 0.00 1.00 0.00 0.00 64.86 64.77 2jfm h ILE 132 Cb 1.38 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 2jfm h ILE 132 CO 0.14 0.40 0.35 1.56 0.00 0.00 0.00 178.15 180.60 2jfm h GLN 133 N 0.94 0.62 -0.11 2.37 4.20 -1.01 0.02 115.11 122.14 2jfm h GLN 133 Ca 0.17 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 2jfm h GLN 133 Cb 0.52 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 2jfm h GLN 133 CO 0.03 0.41 -0.04 0.28 -0.67 0.00 0.00 178.83 178.84 2jfm h VAL 134 N 0.64 1.30 -0.79 -0.54 2.07 -1.45 -1.27 116.25 116.22 2jfm h VAL 134 Ca 0.30 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.84 2jfm h VAL 134 Cb 0.23 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 2jfm h VAL 134 CO -0.20 0.29 0.50 0.58 0.02 0.00 0.00 177.57 178.76 2jfm h VAL 135 N -0.11 1.11 -0.35 2.57 2.07 -1.32 -0.81 116.25 119.41 2jfm h VAL 135 Ca 0.03 -0.33 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 2jfm h VAL 135 Cb 0.47 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2jfm h VAL 135 CO 0.01 0.18 -0.27 0.00 0.02 0.00 0.00 177.57 177.51 2jfm h LYS 137 N 0.62 0.77 0.10 0.00 1.63 -0.92 -1.39 116.57 117.38 2jfm h LYS 137 Ca 0.08 -0.52 -0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2jfm h LYS 137 Cb 0.78 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 2jfm h LYS 137 CO 0.06 1.15 -0.05 1.96 -3.45 0.00 0.00 179.45 179.12 2jfm h GLN 138 N 0.51 -0.13 -0.35 1.90 4.20 -0.94 -1.05 115.11 119.25 2jfm h GLN 138 Ca -0.00 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.77 2jfm h GLN 138 Cb 1.16 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 2jfm h GLN 138 CO 0.12 0.25 0.24 1.15 -0.67 0.00 0.00 178.83 179.92 2jfm h THR 139 N -0.53 0.96 -0.08 -0.54 2.02 -0.31 -2.42 112.91 112.02 2jfm h THR 139 Ca -0.01 -0.09 -0.21 0.00 0.77 0.00 0.00 66.41 66.87 2jfm h THR 139 Cb 0.44 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2jfm h THR 139 CO 0.02 0.05 -0.81 0.25 0.37 0.00 0.00 175.52 175.40 2jfm h LEU 140 N 0.26 0.66 -0.55 2.58 5.85 -0.95 -2.44 115.31 120.71 2jfm h LEU 140 Ca 0.15 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.46 2jfm h LEU 140 Cb 0.28 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 2jfm h LEU 140 CO -0.03 1.23 0.30 0.44 -0.34 0.00 0.00 178.44 180.04 2jfm h ASP 141 N 0.35 0.44 0.11 1.25 3.32 -0.76 -0.60 116.42 120.53 2jfm h ASP 141 Ca -0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2jfm h ASP 141 Cb 1.42 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.89 2jfm h ASP 141 CO 0.15 0.30 -0.29 0.00 -1.72 0.00 0.00 179.24 177.68 2jfm h ALA 142 N 1.29 -0.84 -0.91 3.45 0.00 -1.29 -2.38 119.26 118.57 2jfm h ALA 142 Ca 0.24 -0.07 0.23 0.00 0.00 0.00 0.00 54.91 55.31 2jfm h ALA 142 Cb 0.13 0.66 -0.13 0.00 0.00 0.00 0.00 17.79 18.45 2jfm h ALA 142 CO -0.15 -0.90 0.42 -0.07 0.00 0.00 0.00 179.25 178.55 2jfm h LEU 143 N -0.45 0.37 -0.59 0.00 3.38 -1.30 -1.02 115.31 115.70 2jfm h LEU 143 Ca -0.01 0.15 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2jfm h LEU 143 Cb 0.43 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2jfm h LEU 143 CO -0.13 0.00 -0.03 -1.13 0.09 0.00 0.00 178.44 177.24 2jfm h ASN 144 N 0.41 1.05 0.54 -0.43 -1.24 -0.84 0.17 115.58 115.25 2jfm h ASN 144 Ca 0.58 -0.32 -0.03 0.00 0.71 0.00 0.00 56.30 57.24 2jfm h ASN 144 Cb 1.11 -0.28 0.01 0.00 0.73 0.00 0.00 38.32 39.88 2jfm h ASN 144 CO -0.53 1.11 -0.26 0.22 -1.29 0.00 0.00 177.43 176.68 2jfm h TYR 145 N 0.96 -0.68 -0.51 0.67 3.20 -0.83 0.10 116.97 119.89 2jfm h TYR 145 Ca 0.17 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.12 2jfm h TYR 145 Cb 0.59 0.22 -0.10 0.00 1.54 0.00 0.00 36.73 38.98 2jfm h TYR 145 CO 0.04 -0.41 -0.25 -0.07 -1.64 0.00 0.00 178.16 175.83 2jfm h LEU 146 N -0.75 -0.87 -0.53 2.82 3.38 -0.79 0.82 115.31 119.38 2jfm h LEU 146 Ca -0.07 0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2jfm h LEU 146 Cb 0.57 0.46 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2jfm h LEU 146 CO 0.12 -0.27 -0.07 0.45 0.09 0.00 0.00 178.44 178.77 2jfm h HIS 147 N -0.13 1.09 -0.90 1.13 3.86 -0.44 0.12 115.15 119.88 2jfm h HIS 147 Ca 0.23 -0.21 0.13 0.00 -1.16 0.00 0.00 60.37 59.36 2jfm h HIS 147 Cb 0.50 -0.28 -0.07 0.00 1.06 0.00 0.00 27.41 28.62 2jfm h HIS 147 CO -0.53 1.01 0.58 -0.44 0.86 0.00 0.00 177.93 179.41 2jfm h ASP 148 N 0.86 0.70 -0.48 2.45 5.19 0.00 -2.19 116.42 122.96 2jfm h ASP 148 Ca 0.14 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 2jfm h ASP 148 Cb 0.62 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.03 2jfm h ASP 148 CO 0.04 0.37 0.00 0.59 -3.12 0.00 0.00 179.24 177.12 2jfm n ASN 149 N -4.57 4.49 -1.72 6.45 5.03 0.21 -4.95 115.26 120.21 2jfm n ASN 149 Ca 0.17 -2.62 -0.14 0.00 0.87 0.00 0.00 54.58 52.86 2jfm n ASN 149 Cb 0.43 -0.61 0.00 0.00 -1.02 0.00 0.00 39.78 38.59 2jfm n ASN 149 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2jfm n LYS 150 N 0.61 -1.67 -4.88 3.52 4.76 0.17 -4.78 118.16 115.89 2jfm n LYS 150 Ca 0.22 0.66 -0.33 0.00 -2.87 0.00 0.00 58.31 55.99 2jfm n LYS 150 Cb 0.92 -4.92 -0.13 0.00 -1.84 0.00 0.00 35.03 29.05 2jfm n LYS 150 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2jfm s ILE 151 N -2.76 3.04 -0.15 -0.18 1.01 -0.68 -0.86 121.20 120.62 2jfm s ILE 151 Ca 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.99 2jfm s ILE 151 Cb -0.02 -2.20 -0.00 0.00 0.01 0.00 0.00 42.46 40.24 2jfm s ILE 151 CO 0.06 0.58 -0.15 -0.63 0.00 0.00 0.00 174.94 174.80 2jfm s ILE 152 N -0.51 2.71 0.04 2.92 1.01 -0.10 -3.79 121.20 123.47 2jfm s ILE 152 Ca 0.07 -0.76 -0.27 0.00 0.00 0.00 0.00 60.65 59.68 2jfm s ILE 152 Cb -0.12 -2.14 -0.17 0.00 0.01 0.00 0.00 42.46 40.04 2jfm s ILE 152 CO 0.02 0.52 1.40 -0.74 0.00 0.00 0.00 174.94 176.13 2jfm h HIS 153 N 7.18 -0.51 0.00 3.97 -0.00 -1.93 -1.71 115.15 122.16 2jfm h HIS 153 Ca -0.31 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 2jfm h HIS 153 Cb 1.20 0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.78 2jfm h HIS 153 CO 0.50 -0.22 0.00 0.54 -0.00 0.00 0.00 177.93 178.75 2jfm n ARG 154 N -5.25 -0.60 -2.70 5.26 1.74 -1.26 -3.25 116.66 110.59 2jfm n ARG 154 Ca -0.11 0.15 -0.05 0.00 -0.77 0.00 0.00 57.85 57.07 2jfm n ARG 154 Cb 0.28 -3.64 0.09 0.00 -1.02 0.00 0.00 32.46 28.17 2jfm n ARG 154 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jfm n ASP 155 N -0.30 -0.58 -4.79 0.55 2.03 -1.26 -4.95 116.55 107.26 2jfm n ASP 155 Ca 0.00 -2.38 -0.35 0.00 0.52 0.00 0.00 54.79 52.58 2jfm n ASP 155 Cb 0.15 0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 40.91 2jfm n ASP 155 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2jfm s LEU 156 N -3.53 3.93 0.00 -2.67 2.96 -1.26 -4.82 118.68 113.29 2jfm s LEU 156 Ca 0.20 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 2jfm s LEU 156 Cb 0.41 -4.42 0.00 0.00 0.50 0.00 0.00 46.19 42.68 2jfm s LEU 156 CO -0.07 -0.81 0.00 2.29 -1.32 0.00 0.00 176.35 176.44 2jfm n LYS 157 N -0.73 0.00 -0.24 1.98 2.85 -1.26 -4.93 118.16 115.83 2jfm n LYS 157 Ca 0.08 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.33 2jfm n LYS 157 Cb 0.51 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.94 2jfm n LYS 157 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jfm h ALA 158 N 0.00 0.25 0.00 0.58 0.00 -1.93 -0.97 119.26 117.19 2jfm h ALA 158 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2jfm h ALA 158 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2jfm h ALA 158 CO 0.00 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.13 2jfm n GLY 159 N -1.46 -0.90 0.89 0.00 0.00 -1.26 -1.19 105.19 101.27 2jfm n GLY 159 Ca 0.07 0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.32 2jfm n GLY 159 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jfm n ASN 160 N -2.23 3.20 -4.30 1.61 3.02 -0.38 -4.80 115.26 111.38 2jfm n ASN 160 Ca -0.01 -3.30 -0.35 0.00 -0.03 0.00 0.00 54.58 50.89 2jfm n ASN 160 Cb 0.05 -0.56 -0.14 0.00 -0.61 0.00 0.00 39.78 38.52 2jfm n ASN 160 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jfm s ILE 161 N -2.99 3.26 0.17 2.41 1.01 -0.33 -1.52 121.20 123.21 2jfm s ILE 161 Ca 0.42 -0.53 0.09 0.00 0.00 0.00 0.00 60.65 60.63 2jfm s ILE 161 Cb 0.36 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 2jfm s ILE 161 CO 0.05 0.43 -0.14 -0.76 0.00 0.00 0.00 174.94 174.52 2jfm s LEU 162 N 1.44 2.82 -0.18 2.97 1.43 0.41 -1.18 118.68 126.39 2jfm s LEU 162 Ca 0.05 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 2jfm s LEU 162 Cb -0.14 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 2jfm s LEU 162 CO -0.04 0.12 -0.07 -0.36 0.23 0.00 0.00 176.35 176.23 2jfm s PHE 163 N -1.60 2.92 0.83 0.29 2.99 -0.65 -0.43 117.98 122.33 2jfm s PHE 163 Ca 0.23 -0.75 -0.12 0.00 0.00 0.00 0.00 56.93 56.29 2jfm s PHE 163 Cb -0.09 -1.99 0.09 0.00 0.00 0.00 0.00 43.02 41.03 2jfm s PHE 163 CO 0.13 -0.35 1.12 0.95 -0.00 0.00 0.00 175.22 177.07 2jfm s THR 164 N 0.91 2.59 0.26 0.64 -4.23 -0.71 0.13 115.64 115.22 2jfm s THR 164 Ca -0.01 0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.67 2jfm s THR 164 Cb -0.15 -2.98 0.24 0.00 1.34 0.00 0.00 72.50 70.95 2jfm s THR 164 CO 0.00 -0.25 1.73 0.17 -0.54 0.00 0.00 174.62 175.73 2jfm h LEU 165 N -1.21 0.32 0.00 4.79 -0.00 -1.90 -2.53 115.31 114.79 2jfm h LEU 165 Ca -0.48 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2jfm h LEU 165 Cb 1.30 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.05 2jfm h LEU 165 CO 0.61 0.10 0.00 0.47 -0.00 0.00 0.00 178.44 179.62 2jfm n ASP 166 N -4.99 0.00 -0.49 0.17 9.92 -1.26 -4.84 116.55 115.05 2jfm n ASP 166 Ca 0.17 -0.96 -0.05 0.00 -0.53 0.00 0.00 54.79 53.42 2jfm n ASP 166 Cb 0.47 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.95 2jfm n ASP 166 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jfm n GLY 167 N 0.45 0.31 3.36 0.44 0.00 -0.95 -4.79 105.19 104.01 2jfm n GLY 167 Ca 0.13 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 2jfm n GLY 167 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jfm n ASP 168 N 1.13 1.72 -4.05 1.61 8.00 -1.26 -4.50 116.55 119.20 2jfm n ASP 168 Ca -0.05 -2.27 -0.16 0.00 0.71 0.00 0.00 54.79 53.01 2jfm n ASP 168 Cb 0.45 -0.39 -0.13 0.00 -0.02 0.00 0.00 41.12 41.03 2jfm n ASP 168 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2jfm s ILE 169 N -2.17 0.66 -0.04 0.53 -0.00 -1.26 -1.75 121.20 117.17 2jfm s ILE 169 Ca 0.53 -0.78 0.03 0.00 -0.00 0.00 0.00 60.65 60.43 2jfm s ILE 169 Cb -0.04 -0.64 0.00 0.00 -0.00 0.00 0.00 42.46 41.78 2jfm s ILE 169 CO 0.34 -0.11 -0.13 -0.54 -0.00 0.00 0.00 174.94 174.50 2jfm s LYS 170 N -0.99 1.36 -0.03 0.37 1.02 0.43 -4.52 119.74 117.39 2jfm s LYS 170 Ca -0.03 -0.45 -0.15 0.00 0.02 0.00 0.00 55.97 55.37 2jfm s LYS 170 Cb -0.07 -1.22 -0.05 0.00 -0.52 0.00 0.00 37.83 35.97 2jfm s LYS 170 CO 0.00 0.17 0.39 -1.17 -0.92 0.00 0.00 175.35 173.83 2jfm s LEU 171 N 0.14 4.43 0.00 3.17 2.96 -0.30 -0.44 118.68 128.64 2jfm s LEU 171 Ca -0.04 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 54.76 2jfm s LEU 171 Cb -0.10 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.03 2jfm s LEU 171 CO 0.01 0.28 0.00 0.00 -1.32 0.00 0.00 176.35 175.32 2jfm n ALA 172 N 2.16 0.00 -3.22 5.97 0.00 -0.57 -2.57 120.51 122.28 2jfm n ALA 172 Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 2jfm n ALA 172 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 2jfm n ALA 172 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jfm n ASP 173 N -0.34 -6.45 -1.75 0.00 -0.08 -1.26 -4.91 116.55 101.76 2jfm n ASP 173 Ca 0.00 0.35 -0.08 0.00 -1.51 0.00 0.00 54.79 53.55 2jfm n ASP 173 Cb 0.00 -1.71 0.25 0.00 2.34 0.00 0.00 41.12 42.00 2jfm n ASP 173 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2jfm n PHE 174 N 1.04 2.14 -0.35 -0.67 3.01 -1.26 -4.68 117.46 116.70 2jfm n PHE 174 Ca -0.01 -1.38 0.10 0.00 1.01 0.00 0.00 57.45 57.17 2jfm n PHE 174 Cb 0.51 -0.66 0.28 0.00 -0.01 0.00 0.00 39.48 39.60 2jfm n PHE 174 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2jfm h GLY 175 N 1.88 1.68 -1.29 1.37 0.00 -1.91 -2.31 103.07 102.49 2jfm h GLY 175 Ca 0.31 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 2jfm h GLY 175 CO 0.69 0.01 -0.18 3.33 0.00 0.00 0.00 176.54 180.38 2jfm n VAL 176 N -4.74 2.29 -1.91 4.60 0.24 -1.26 -4.78 118.33 112.76 2jfm n VAL 176 Ca 0.21 -2.69 -0.32 0.00 -2.04 0.00 0.00 64.34 59.50 2jfm n VAL 176 Cb 0.48 -0.27 0.02 0.00 -1.47 0.00 0.00 33.84 32.60 2jfm n VAL 176 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2jfm s SER 177 N -2.73 5.73 -0.02 -1.34 0.01 -0.87 -4.68 113.70 109.81 2jfm s SER 177 Ca 0.40 1.72 0.06 0.00 1.31 0.00 0.00 55.95 59.44 2jfm s SER 177 Cb 0.36 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.05 2jfm s SER 177 CO -0.00 -1.20 -0.20 0.00 0.41 0.00 0.00 173.24 172.25 2jfm s ALA 178 N -2.68 2.45 -0.26 1.44 0.00 -0.64 -4.89 121.76 117.19 2jfm s ALA 178 Ca 0.61 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 2jfm s ALA 178 Cb -0.15 -0.76 0.08 0.00 0.00 0.00 0.00 23.12 22.29 2jfm s ALA 178 CO 0.43 0.55 0.03 0.21 0.00 0.00 0.00 175.76 176.97 2jfm s LYS 179 N -0.82 1.08 -0.01 0.00 2.20 -1.26 -0.93 119.74 120.00 2jfm s LYS 179 Ca 0.11 -0.95 0.09 0.00 -0.36 0.00 0.00 55.97 54.86 2jfm s LYS 179 Cb -0.10 -2.34 0.27 0.00 -1.51 0.00 0.00 37.83 34.15 2jfm s LYS 179 CO 0.01 -0.76 1.19 0.09 -0.36 0.00 0.00 175.35 175.52 2jfm n ASN 180 N 4.78 1.77 0.09 1.43 3.02 -0.04 -4.37 115.26 121.94 2jfm n ASN 180 Ca -0.07 -2.05 -0.00 0.00 -0.03 0.00 0.00 54.58 52.43 2jfm n ASN 180 Cb 0.44 -0.25 0.30 0.00 -0.61 0.00 0.00 39.78 39.66 2jfm n ASN 180 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2jfm h THR 181 N 1.72 1.24 -0.12 3.41 1.35 -1.86 -1.69 112.91 116.95 2jfm h THR 181 Ca 0.00 -1.12 -0.05 0.00 -0.55 0.00 0.00 66.41 64.69 2jfm h THR 181 Cb 0.49 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 68.27 2jfm h THR 181 CO 0.03 0.34 0.06 0.54 -0.25 0.00 0.00 175.52 176.24 2jfm n ARG 182 N -4.16 1.29 0.00 4.72 3.00 -1.26 -2.83 116.66 117.42 2jfm n ARG 182 Ca -0.01 -0.42 0.00 0.00 -0.01 0.00 0.00 57.85 57.41 2jfm n ARG 182 Cb 0.36 -1.31 0.00 0.00 0.00 0.00 0.00 32.46 31.52 2jfm n ARG 182 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2jfm n ILE 184 N 0.21 0.00 0.25 0.55 -0.00 -0.64 -0.36 119.36 119.38 2jfm n ILE 184 Ca 0.07 0.00 0.12 0.00 -0.00 0.00 0.00 62.75 62.93 2jfm n ILE 184 Cb 0.57 0.00 0.67 0.00 -0.00 0.00 0.00 39.64 40.88 2jfm n ILE 184 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 2jfm h GLN 185 N 0.00 0.00 0.35 0.38 7.50 -1.78 0.14 115.11 121.70 2jfm h GLN 185 Ca 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 2jfm h GLN 185 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 2jfm h GLN 185 CO 0.00 0.14 -0.17 0.07 -1.50 0.00 0.00 178.83 177.38 2jfm h ARG 186 N 0.00 -0.45 0.15 1.46 0.11 -0.98 -3.26 114.38 111.40 2jfm h ARG 186 Ca -0.00 0.03 0.01 0.00 0.10 0.00 0.00 59.98 60.12 2jfm h ARG 186 Cb 0.39 0.10 -0.04 0.00 1.11 0.00 0.00 29.97 31.53 2jfm h ARG 186 CO 0.02 -0.26 -0.44 0.07 0.10 0.00 0.00 179.97 179.45 2jfm h ARG 187 N -1.10 -0.64 -1.30 0.08 -0.00 -1.79 -2.68 114.38 106.94 2jfm h ARG 187 Ca -0.05 0.04 0.40 0.00 -0.00 0.00 0.00 59.98 60.38 2jfm h ARG 187 Cb 0.40 0.15 -0.11 0.00 -0.00 0.00 0.00 29.97 30.40 2jfm h ARG 187 CO 0.08 -0.43 0.85 0.22 -0.00 0.00 0.00 179.97 180.70 2jfm h ASP 188 N -0.66 0.25 -2.62 0.08 1.82 -0.90 -3.41 116.42 110.98 2jfm h ASP 188 Ca -0.01 0.11 -0.54 0.00 -0.39 0.00 0.00 57.03 56.19 2jfm h ASP 188 Cb 0.65 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.75 2jfm h ASP 188 CO -0.21 -0.10 1.07 -0.55 -1.61 0.00 0.00 179.24 177.83 2jfm s SER 189 N -4.65 6.64 0.08 2.28 0.15 -1.01 -5.00 113.70 112.19 2jfm s SER 189 Ca -0.07 2.32 -0.07 0.00 0.70 0.00 0.00 55.95 58.82 2jfm s SER 189 Cb 0.28 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 62.04 2jfm s SER 189 CO 0.82 -0.92 0.15 0.72 1.20 0.00 0.00 173.24 175.21 2jfm s PHE 190 N 3.69 0.21 0.10 3.44 -0.71 -1.26 -5.03 117.98 118.41 2jfm s PHE 190 Ca 0.74 -0.64 0.03 0.00 -1.04 0.00 0.00 56.93 56.02 2jfm s PHE 190 Cb -0.35 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 2jfm s PHE 190 CO 0.31 -0.50 -0.08 0.42 -1.34 0.00 0.00 175.22 174.02 2jfm s ILE 191 N -3.75 0.82 0.08 -4.49 -1.09 -1.26 -5.11 121.20 106.40 2jfm s ILE 191 Ca 0.04 -1.80 0.00 0.00 -2.23 0.00 0.00 60.65 56.67 2jfm s ILE 191 Cb 0.05 -1.52 0.00 0.00 -1.58 0.00 0.00 42.46 39.41 2jfm s ILE 191 CO -0.10 -0.72 0.00 0.61 -1.23 0.00 0.00 174.94 173.49 2jfm n GLY 192 N 0.23 -2.35 3.69 6.18 0.00 -1.26 -4.80 105.19 106.88 2jfm n GLY 192 Ca -0.14 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 2jfm n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jfm s THR 193 N -2.63 3.45 -1.23 2.61 2.01 -1.26 -4.93 115.64 113.66 2jfm s THR 193 Ca 0.00 0.89 -0.04 0.00 0.31 0.00 0.00 61.69 62.85 2jfm s THR 193 Cb 0.00 -3.57 0.18 0.00 0.01 0.00 0.00 72.50 69.12 2jfm s THR 193 CO 0.00 0.01 2.20 -0.81 -0.69 0.00 0.00 174.62 175.33 2jfm n PRO 194 N 5.24 4.85 0.28 4.92 -0.04 -1.26 -4.79 135.00 144.20 2jfm n PRO 194 Ca 0.14 -3.84 0.18 0.00 -0.04 0.00 0.00 63.50 59.94 2jfm n PRO 194 Cb 0.42 -2.59 0.95 0.00 -0.04 0.00 0.00 33.50 32.25 2jfm n PRO 194 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2jfm h TYR 195 N 4.50 0.00 -0.22 0.54 -1.99 -2.00 -2.77 116.97 115.03 2jfm h TYR 195 Ca 0.65 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.38 2jfm h TYR 195 Cb 0.31 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.04 2jfm h TYR 195 CO 1.52 0.00 0.00 0.91 -0.00 0.00 0.00 178.16 180.59 2jfm n TRP 196 N -3.34 0.27 -2.37 4.88 8.01 -1.26 -4.96 117.44 118.67 2jfm n TRP 196 Ca -0.01 -0.13 -0.41 0.00 -1.31 0.00 0.00 57.50 55.64 2jfm n TRP 196 Cb 0.25 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.52 2jfm n TRP 196 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 2jfm s MET 197 N -1.73 4.50 0.73 -0.99 1.75 -1.05 -4.99 119.30 117.51 2jfm s MET 197 Ca 0.34 1.89 -0.15 0.00 -1.25 0.00 0.00 55.69 56.52 2jfm s MET 197 Cb 0.21 -3.22 0.04 0.00 2.84 0.00 0.00 34.83 34.69 2jfm s MET 197 CO 0.31 -0.07 1.24 0.00 -0.65 0.00 0.00 175.02 175.85 2jfm s ALA 198 N -0.21 2.11 0.32 4.11 0.00 -1.26 -4.86 121.76 121.97 2jfm s ALA 198 Ca 0.52 0.99 0.06 0.00 0.00 0.00 0.00 51.96 53.53 2jfm s ALA 198 Cb -0.33 -3.51 0.55 0.00 0.00 0.00 0.00 23.12 19.83 2jfm s ALA 198 CO 0.38 -1.92 1.78 -1.35 0.00 0.00 0.00 175.76 174.65 2jfm h PRO 199 N -0.20 0.32 -0.56 0.00 0.11 -1.99 -1.68 132.00 128.00 2jfm h PRO 199 Ca -0.48 -0.11 -0.08 0.00 0.11 0.00 0.00 66.00 65.43 2jfm h PRO 199 Cb 1.31 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 2jfm h PRO 199 CO 0.50 0.56 0.04 1.05 -0.21 0.00 0.00 178.00 179.93 2jfm h GLU 200 N 0.28 0.96 0.08 1.05 9.09 -1.93 -0.53 114.58 123.59 2jfm h GLU 200 Ca 0.04 -0.29 0.00 0.00 0.05 0.00 0.00 59.36 59.17 2jfm h GLU 200 Cb 0.62 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 27.61 2jfm h GLU 200 CO 0.04 0.95 -0.08 0.28 0.05 0.00 0.00 179.01 180.25 2jfm h VAL 201 N 0.85 0.81 -0.56 -1.06 2.07 -1.84 -0.20 116.25 116.32 2jfm h VAL 201 Ca 0.16 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.77 2jfm h VAL 201 Cb 0.49 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 2jfm h VAL 201 CO 0.02 0.00 0.19 0.58 0.02 0.00 0.00 177.57 178.38 2jfm h VAL 202 N -0.18 0.77 -0.06 2.57 2.07 -0.98 -0.62 116.25 119.81 2jfm h VAL 202 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2jfm h VAL 202 Cb 0.18 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2jfm h VAL 202 CO -0.02 0.07 0.00 0.23 0.02 0.00 0.00 177.57 177.86 2jfm n MET 203 N -5.02 1.38 -3.71 1.57 2.81 -0.24 -4.91 117.12 109.00 2jfm n MET 203 Ca 0.07 -0.32 -0.26 0.00 -1.81 0.00 0.00 57.70 55.38 2jfm n MET 203 Cb 0.25 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.29 2jfm n MET 203 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jfm n GLU 205 N -4.18 1.23 -0.89 0.00 -0.58 -0.11 -4.79 120.64 111.32 2jfm n GLU 205 Ca -0.19 -2.93 -0.29 0.00 -0.42 0.00 0.00 57.16 53.34 2jfm n GLU 205 Cb 0.64 -1.07 0.20 0.00 -0.57 0.00 0.00 31.44 30.64 2jfm n GLU 205 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2jfm s THR 206 N -2.21 2.11 0.30 2.62 -4.23 -1.26 -4.80 115.64 108.18 2jfm s THR 206 Ca 0.37 0.04 0.21 0.00 -1.18 0.00 0.00 61.69 61.12 2jfm s THR 206 Cb 0.38 -2.33 0.20 0.00 1.34 0.00 0.00 72.50 72.09 2jfm s THR 206 CO -0.09 -0.05 1.89 0.77 -0.54 0.00 0.00 174.62 176.60 2jfm h SER 207 N -2.17 0.00 0.01 3.99 4.64 -1.97 -2.37 113.55 115.68 2jfm h SER 207 Ca -0.57 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.68 2jfm h SER 207 Cb 1.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 2jfm h SER 207 CO 0.54 0.26 -0.19 0.11 -0.87 0.00 0.00 176.83 176.67 2jfm h LYS 208 N 0.00 0.34 0.00 4.77 6.56 -1.99 -3.10 116.57 123.14 2jfm h LYS 208 Ca -0.00 -0.10 -0.24 0.00 -1.06 0.00 0.00 60.65 59.25 2jfm h LYS 208 Cb 0.61 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 32.19 2jfm h LYS 208 CO 0.03 0.52 -1.38 -0.44 -2.06 0.00 0.00 179.45 176.13 2jfm h ASP 209 N 0.31 0.00 -4.07 0.86 3.32 -1.82 -3.47 116.42 111.55 2jfm h ASP 209 Ca 0.05 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.66 2jfm h ASP 209 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2jfm h ASP 209 CO 0.03 0.92 0.35 -0.13 -1.72 0.00 0.00 179.24 178.69 2jfm s ARG 210 N -2.69 4.12 0.39 3.56 0.52 -0.91 -4.97 118.95 118.96 2jfm s ARG 210 Ca -0.02 1.16 0.27 0.00 -0.52 0.00 0.00 55.73 56.63 2jfm s ARG 210 Cb 0.09 -2.16 0.89 0.00 0.52 0.00 0.00 34.95 34.29 2jfm s ARG 210 CO 0.82 -0.13 1.78 -1.00 0.02 0.00 0.00 175.30 176.79 2jfm h PRO 211 N 1.79 0.00 -0.44 3.54 0.13 -1.91 -3.39 132.00 131.72 2jfm h PRO 211 Ca -0.49 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.68 2jfm h PRO 211 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2jfm h PRO 211 CO 0.61 0.00 -0.26 0.98 -0.23 0.00 0.00 178.00 179.10 2jfm n TYR 212 N -2.76 -0.19 -0.28 1.56 9.36 -1.26 -0.69 117.16 122.90 2jfm n TYR 212 Ca 0.03 0.55 0.05 0.00 3.32 0.00 0.00 57.90 61.84 2jfm n TYR 212 Cb 0.38 -0.51 0.27 0.00 -0.63 0.00 0.00 39.34 38.84 2jfm n TYR 212 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 2jfm h ASP 213 N 0.00 0.85 0.46 2.98 3.32 -1.85 -2.20 116.42 119.98 2jfm h ASP 213 Ca 0.07 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2jfm h ASP 213 Cb 0.18 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2jfm h ASP 213 CO -0.41 0.55 0.00 1.88 -1.72 0.00 0.00 179.24 179.53 2jfm h TYR 214 N 0.97 0.00 0.00 4.55 -1.99 -1.17 -2.80 116.97 116.53 2jfm h TYR 214 Ca 0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.10 2jfm h TYR 214 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.95 2jfm h TYR 214 CO -0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 2jfm n LYS 215 N -2.98 0.00 -0.31 4.88 5.02 -0.83 -2.13 118.16 121.81 2jfm n LYS 215 Ca -0.01 0.03 0.09 0.00 -2.02 0.00 0.00 58.31 56.40 2jfm n LYS 215 Cb 0.17 -1.51 0.26 0.00 -0.02 0.00 0.00 35.03 33.94 2jfm n LYS 215 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jfm h ALA 216 N 2.94 1.41 0.00 7.82 0.00 -1.64 -2.01 119.26 127.78 2jfm h ALA 216 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2jfm h ALA 216 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2jfm h ALA 216 CO 0.00 -0.09 -0.32 -0.44 0.00 0.00 0.00 179.25 178.40 2jfm h ASP 217 N 0.65 0.00 0.00 0.00 3.32 -1.67 -2.47 116.42 116.26 2jfm h ASP 217 Ca 0.51 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.56 2jfm h ASP 217 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2jfm h ASP 217 CO -0.38 0.32 -0.00 0.58 -1.72 0.00 0.00 179.24 178.03 2jfm h VAL 218 N 0.00 1.44 -0.50 -1.35 2.07 -1.53 -0.51 116.25 115.87 2jfm h VAL 218 Ca -0.00 -1.31 0.10 0.00 0.82 0.00 0.00 66.70 66.31 2jfm h VAL 218 Cb 0.60 2.33 -0.10 0.00 -1.52 0.00 0.00 31.29 32.59 2jfm h VAL 218 CO 0.04 0.34 -0.29 -0.25 0.02 0.00 0.00 177.57 177.43 2jfm h TRP 219 N -0.56 -0.78 -0.76 1.57 2.91 -1.35 0.14 115.95 117.12 2jfm h TRP 219 Ca -0.00 0.06 0.11 0.00 1.13 0.00 0.00 58.89 60.19 2jfm h TRP 219 Cb 0.56 0.42 -0.08 0.00 -0.51 0.00 0.00 29.16 29.55 2jfm h TRP 219 CO 0.12 -0.36 0.38 0.77 -1.03 0.00 0.00 178.44 178.32 2jfm h SER 220 N -0.17 0.48 -0.78 2.65 0.02 -1.30 0.20 113.55 114.64 2jfm h SER 220 Ca 0.22 0.07 0.13 0.00 -0.84 0.00 0.00 61.79 61.36 2jfm h SER 220 Cb 0.52 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 62.97 2jfm h SER 220 CO -0.60 0.25 0.38 0.25 -1.14 0.00 0.00 176.83 175.97 2jfm h LEU 221 N 0.61 0.45 -0.07 5.07 5.85 0.70 0.25 115.31 128.17 2jfm h LEU 221 Ca 0.38 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.22 2jfm h LEU 221 Cb 0.45 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 2jfm h LEU 221 CO -0.30 0.21 -0.48 1.23 -0.34 0.00 0.00 178.44 178.76 2jfm h GLY 222 N 0.58 -0.92 1.76 3.75 0.00 -0.03 0.28 103.07 108.48 2jfm h GLY 222 Ca 0.41 0.60 -0.00 0.00 0.00 0.00 0.00 47.33 48.33 2jfm h GLY 222 CO -0.34 -0.23 0.13 -2.22 0.00 0.00 0.00 176.54 173.89 2jfm h ILE 223 N -0.59 1.08 -0.27 2.60 1.08 -0.62 -1.12 117.51 119.67 2jfm h ILE 223 Ca 0.04 -0.18 -0.13 0.00 -0.39 0.00 0.00 64.86 64.20 2jfm h ILE 223 Cb 0.68 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 2jfm h ILE 223 CO -0.38 0.08 -0.37 0.74 -0.69 0.00 0.00 178.15 177.53 2jfm h THR 224 N 0.33 1.29 -0.23 -0.27 2.02 0.42 0.15 112.91 116.61 2jfm h THR 224 Ca 0.09 -1.52 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 2jfm h THR 224 Cb 0.00 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2jfm h THR 224 CO -0.02 0.48 0.11 -0.07 0.37 0.00 0.00 175.52 176.40 2jfm h LEU 225 N 0.50 0.30 -0.93 2.58 3.38 0.28 -0.28 115.31 121.14 2jfm h LEU 225 Ca 0.05 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2jfm h LEU 225 Cb 0.87 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2jfm h LEU 225 CO 0.07 0.33 0.23 0.40 0.09 0.00 0.00 178.44 179.57 2jfm h ILE 226 N 0.24 1.24 -0.22 1.22 2.04 -1.21 -1.19 117.51 119.65 2jfm h ILE 226 Ca 0.08 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.18 2jfm h ILE 226 Cb 0.11 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 2jfm h ILE 226 CO -0.01 0.32 -0.06 -0.08 0.00 0.00 0.00 178.15 178.31 2jfm h GLU 227 N 0.98 -0.01 0.00 2.37 4.81 -0.66 0.20 114.58 122.27 2jfm h GLU 227 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2jfm h GLU 227 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2jfm h GLU 227 CO -0.01 -0.01 0.00 0.52 -0.73 0.00 0.00 179.01 178.78 2jfm h MET 228 N -0.01 0.00 0.05 1.92 2.86 -0.45 0.99 114.93 120.28 2jfm h MET 228 Ca 0.11 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.46 2jfm h MET 228 Cb 0.17 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 2jfm h MET 228 CO -0.23 0.00 -1.58 0.00 1.06 0.00 0.00 176.91 176.16 2jfm h ALA 229 N 2.00 0.53 0.00 6.32 0.00 -0.01 -1.79 119.26 126.32 2jfm h ALA 229 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.64 2jfm h ALA 229 Cb 0.38 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2jfm h ALA 229 CO 0.00 1.38 -0.04 0.39 0.00 0.00 0.00 179.25 180.98 2jfm n GLU 230 N -3.26 1.65 0.00 0.00 1.02 -0.07 -4.73 120.64 115.25 2jfm n GLU 230 Ca -0.16 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 54.91 2jfm n GLU 230 Cb 1.03 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 2jfm n GLU 230 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2jfm n ILE 231 N -1.00 0.00 -4.29 -3.67 5.41 0.33 -4.87 119.36 111.26 2jfm n ILE 231 Ca 0.10 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.62 2jfm n ILE 231 Cb 0.52 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.33 2jfm n ILE 231 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2jfm s GLU 232 N 0.00 1.05 0.61 0.38 2.02 -1.21 -4.68 118.70 116.86 2jfm s GLU 232 Ca 0.00 -1.06 -0.14 0.00 0.02 0.00 0.00 54.97 53.79 2jfm s GLU 232 Cb 0.00 -1.22 -0.04 0.00 0.10 0.00 0.00 34.13 32.98 2jfm s GLU 232 CO 0.00 0.28 1.03 -1.25 0.02 0.00 0.00 175.26 175.35 2jfm s PRO 233 N -1.75 3.43 0.42 0.39 0.04 -1.26 -4.55 135.00 131.72 2jfm s PRO 233 Ca 0.04 0.98 -0.22 0.00 0.04 0.00 0.00 61.00 61.83 2jfm s PRO 233 Cb -0.10 -2.06 -0.13 0.00 0.04 0.00 0.00 34.50 32.26 2jfm s PRO 233 CO 0.03 -0.71 0.49 -2.30 0.04 0.00 0.00 177.00 174.56 2jfm n PRO 234 N -2.38 0.50 -0.97 0.56 -0.02 -1.26 -1.77 135.00 129.66 2jfm n PRO 234 Ca 0.07 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2jfm n PRO 234 Cb 0.54 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 2jfm n PRO 234 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2jfm n HIS 235 N -0.88 0.00 0.16 6.00 8.25 -1.26 -4.89 115.22 122.61 2jfm n HIS 235 Ca 0.12 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.76 2jfm n HIS 235 Cb 0.39 -1.22 0.76 0.00 1.12 0.00 0.00 29.99 31.04 2jfm n HIS 235 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2jfm h HIS 236 N 0.00 0.00 0.00 4.41 2.07 -1.70 -2.00 115.15 117.93 2jfm h HIS 236 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2jfm h HIS 236 Cb 0.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 2jfm h HIS 236 CO 0.36 0.00 -0.59 1.05 -3.07 0.00 0.00 177.93 175.68 2jfm h GLU 237 N 0.00 0.00 -7.38 5.12 9.09 -1.90 -3.48 114.58 116.03 2jfm h GLU 237 Ca 0.14 0.00 -0.50 0.00 0.05 0.00 0.00 59.36 59.05 2jfm h GLU 237 Cb 0.98 0.00 0.07 0.00 -1.65 0.00 0.00 28.75 28.14 2jfm h GLU 237 CO -0.00 0.00 0.41 -0.51 0.05 0.00 0.00 179.01 178.96 2jfm s LEU 238 N -4.32 3.13 0.14 3.06 1.43 -0.75 -4.99 118.68 116.37 2jfm s LEU 238 Ca 0.06 1.30 -0.35 0.00 -1.03 0.00 0.00 54.13 54.12 2jfm s LEU 238 Cb 0.13 -4.27 -0.15 0.00 0.03 0.00 0.00 46.19 41.93 2jfm s LEU 238 CO 0.71 -1.02 1.44 -3.20 0.23 0.00 0.00 176.35 174.52 2jfm n ASN 239 N -2.82 2.39 -0.26 2.29 2.85 -1.26 -4.85 115.26 113.61 2jfm n ASN 239 Ca 0.06 1.11 0.23 0.00 -0.11 0.00 0.00 54.58 55.87 2jfm n ASN 239 Cb 0.55 -1.32 0.57 0.00 1.24 0.00 0.00 39.78 40.82 2jfm n ASN 239 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2jfm h PRO 240 N 5.08 0.28 0.00 1.20 0.11 -1.94 -0.33 132.00 136.39 2jfm h PRO 240 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jfm h PRO 240 Cb 1.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2jfm h PRO 240 CO 0.82 0.18 0.00 0.52 -0.21 0.00 0.00 178.00 179.31 2jfm h MET 241 N 0.29 0.00 -0.01 1.05 2.86 -2.02 -2.57 114.93 114.53 2jfm h MET 241 Ca 0.50 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.14 2jfm h MET 241 Cb 1.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.11 2jfm h MET 241 CO -0.16 0.00 -0.58 0.54 1.06 0.00 0.00 176.91 177.77 2jfm n ARG 242 N -3.00 0.55 0.10 1.72 1.74 -0.14 -4.57 116.66 113.05 2jfm n ARG 242 Ca -0.03 -0.41 -0.13 0.00 -0.77 0.00 0.00 57.85 56.52 2jfm n ARG 242 Cb 0.09 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 29.95 2jfm n ARG 242 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2jfm h VAL 243 N 0.99 0.93 -0.02 1.55 2.07 -1.52 -0.27 116.25 119.98 2jfm h VAL 243 Ca 0.00 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.00 2jfm h VAL 243 Cb 0.58 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2jfm h VAL 243 CO 0.00 0.13 -0.21 -0.07 0.02 0.00 0.00 177.57 177.44 2jfm h LEU 244 N -0.51 -0.62 -1.77 2.57 4.07 -1.81 -0.70 115.31 116.54 2jfm h LEU 244 Ca -0.02 0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.12 2jfm h LEU 244 Cb 0.39 0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 2jfm h LEU 244 CO 0.04 -0.27 0.33 0.25 -1.08 0.00 0.00 178.44 177.71 2jfm h LEU 245 N -0.33 0.24 -0.23 1.67 5.85 -1.77 -1.43 115.31 119.32 2jfm h LEU 245 Ca 0.06 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.61 2jfm h LEU 245 Cb 0.41 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2jfm h LEU 245 CO -0.20 0.15 -0.54 0.50 -0.34 0.00 0.00 178.44 178.00 2jfm h LYS 246 N 0.27 0.77 -0.73 1.25 1.63 -0.11 -0.73 116.57 118.92 2jfm h LYS 246 Ca 0.22 -0.52 0.03 0.00 -0.85 0.00 0.00 60.65 59.53 2jfm h LYS 246 Cb 0.53 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.20 2jfm h LYS 246 CO -0.05 1.15 0.46 0.82 -3.45 0.00 0.00 179.45 178.38 2jfm h ILE 247 N 0.50 1.11 0.77 2.00 2.04 -0.09 -0.23 117.51 123.62 2jfm h ILE 247 Ca -0.00 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 2jfm h ILE 247 Cb 1.16 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2jfm h ILE 247 CO 0.12 0.17 -0.42 0.00 0.00 0.00 0.00 178.15 178.01 2jfm h ALA 248 N 1.30 -1.27 -0.41 1.87 0.00 -1.36 -3.34 119.26 116.06 2jfm h ALA 248 Ca 0.29 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2jfm h ALA 248 Cb -0.00 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2jfm h ALA 248 CO -0.10 -1.21 -0.04 0.87 0.00 0.00 0.00 179.25 178.77 2jfm h LYS 249 N -1.11 0.06 -6.46 0.00 1.57 -0.81 -3.45 116.57 106.36 2jfm h LYS 249 Ca -0.11 -0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.14 2jfm h LYS 249 Cb 0.87 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 2jfm h LYS 249 CO 0.14 0.04 -0.13 -1.12 -0.57 0.00 0.00 179.45 177.81 2jfm s SER 250 N -5.24 6.54 0.97 0.86 0.01 -0.13 -5.06 113.70 111.65 2jfm s SER 250 Ca -0.14 0.82 -0.12 0.00 1.31 0.00 0.00 55.95 57.82 2jfm s SER 250 Cb 0.14 -2.19 0.08 0.00 0.21 0.00 0.00 66.02 64.27 2jfm s SER 250 CO 0.71 -0.13 0.59 -0.62 0.41 0.00 0.00 173.24 174.20 2jfm n GLU 251 N -0.51 -0.53 -1.70 12.44 -0.58 -1.26 -4.89 120.64 123.61 2jfm n GLU 251 Ca -0.00 -0.11 -0.42 0.00 -0.42 0.00 0.00 57.16 56.21 2jfm n GLU 251 Cb 0.53 -1.99 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 2jfm n GLU 251 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jfm n PRO 252 N -2.52 2.05 -1.04 3.49 -0.02 -1.26 -4.94 135.00 130.76 2jfm n PRO 252 Ca 0.07 0.72 -0.31 0.00 -2.02 0.00 0.00 63.50 61.97 2jfm n PRO 252 Cb 0.54 -2.35 0.12 0.00 -0.02 0.00 0.00 33.50 31.79 2jfm n PRO 252 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jfm s PRO 253 N -2.02 1.76 0.30 0.52 0.04 -1.26 -5.07 135.00 129.28 2jfm s PRO 253 Ca 0.58 1.32 0.03 0.00 0.04 0.00 0.00 61.00 62.96 2jfm s PRO 253 Cb -0.54 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 2jfm s PRO 253 CO 0.61 -2.04 0.12 0.95 0.04 0.00 0.00 177.00 176.68 2jfm s THR 254 N -2.81 0.57 0.30 1.26 -4.23 -1.26 -5.02 115.64 104.46 2jfm s THR 254 Ca 0.63 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.85 2jfm s THR 254 Cb -0.19 -2.58 -0.11 0.00 1.34 0.00 0.00 72.50 70.95 2jfm s THR 254 CO 0.57 0.00 1.55 -0.76 -0.54 0.00 0.00 174.62 175.43 2jfm s LEU 255 N -3.39 4.35 0.00 4.79 1.43 -1.26 -4.96 118.68 119.64 2jfm s LEU 255 Ca 0.35 2.92 -0.25 0.00 -1.03 0.00 0.00 54.13 56.12 2jfm s LEU 255 Cb 0.06 -3.64 -0.17 0.00 0.03 0.00 0.00 46.19 42.48 2jfm s LEU 255 CO 0.15 -0.87 1.23 0.00 0.23 0.00 0.00 176.35 177.10 2jfm h ALA 256 N 4.56 -0.34 -1.94 4.21 0.00 -2.00 -3.33 119.26 120.43 2jfm h ALA 256 Ca -0.47 -0.19 -0.77 0.00 0.00 0.00 0.00 54.91 53.47 2jfm h ALA 256 Cb 1.22 0.13 -0.30 0.00 0.00 0.00 0.00 17.79 18.84 2jfm h ALA 256 CO 0.76 -0.50 0.56 1.04 0.00 0.00 0.00 179.25 181.11 2jfm n GLN 257 N -5.08 4.20 -0.36 0.00 6.02 -1.26 -4.92 117.38 115.97 2jfm n GLN 257 Ca -0.09 -4.58 0.35 0.00 -0.01 0.00 0.00 57.00 52.66 2jfm n GLN 257 Cb 0.25 -2.47 0.71 0.00 1.02 0.00 0.00 30.24 29.76 2jfm n GLN 257 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2jfm h PRO 258 N 5.17 0.06 0.00 -1.09 0.13 -1.96 0.55 132.00 134.86 2jfm h PRO 258 Ca 0.21 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2jfm h PRO 258 Cb 0.61 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 2jfm h PRO 258 CO 1.25 0.04 -0.02 0.66 -0.23 0.00 0.00 178.00 179.70 2jfm h SER 259 N 0.07 0.00 0.50 1.44 4.64 -1.94 -2.41 113.55 115.85 2jfm h SER 259 Ca 0.62 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.87 2jfm h SER 259 Cb 2.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.38 2jfm h SER 259 CO -0.08 0.02 -0.33 0.03 -0.87 0.00 0.00 176.83 175.61 2jfm h ARG 260 N 0.00 0.00 -6.40 4.77 3.08 -1.31 -3.46 114.38 111.06 2jfm h ARG 260 Ca -0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 2jfm h ARG 260 Cb 0.20 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.12 2jfm h ARG 260 CO 0.00 0.33 -0.69 -1.58 -1.07 0.00 0.00 179.97 176.96 2jfm s TRP 261 N -4.03 2.77 0.98 3.04 0.52 -0.91 -5.04 118.94 116.28 2jfm s TRP 261 Ca -0.02 -0.16 -0.12 0.00 0.02 0.00 0.00 56.10 55.82 2jfm s TRP 261 Cb 0.13 -1.36 0.18 0.00 -1.15 0.00 0.00 33.47 31.27 2jfm s TRP 261 CO 0.69 0.50 1.09 -1.54 0.02 0.00 0.00 176.95 177.71 2jfm s SER 262 N -2.79 2.71 0.30 2.95 1.04 -1.26 -4.90 113.70 111.74 2jfm s SER 262 Ca 0.26 1.34 0.16 0.00 0.48 0.00 0.00 55.95 58.19 2jfm s SER 262 Cb -0.09 -2.02 0.16 0.00 0.10 0.00 0.00 66.02 64.17 2jfm s SER 262 CO 0.17 -3.10 1.49 0.77 0.98 0.00 0.00 173.24 173.55 2jfm h SER 263 N -1.87 0.00 0.21 7.02 4.64 -1.99 -2.71 113.55 118.86 2jfm h SER 263 Ca -0.53 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.78 2jfm h SER 263 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2jfm h SER 263 CO 0.55 0.46 -0.10 0.78 -0.87 0.00 0.00 176.83 177.65 2jfm h ASN 264 N 0.00 -0.24 -0.63 4.97 2.35 -1.97 -0.67 115.58 119.39 2jfm h ASN 264 Ca -0.00 -0.18 0.07 0.00 -0.55 0.00 0.00 56.30 55.64 2jfm h ASN 264 Cb 1.31 0.06 -0.10 0.00 0.05 0.00 0.00 38.32 39.64 2jfm h ASN 264 CO 0.06 0.05 -0.54 0.15 -1.65 0.00 0.00 177.43 175.50 2jfm h PHE 265 N -0.54 -1.66 -0.72 1.19 3.04 -1.92 0.13 116.94 116.46 2jfm h PHE 265 Ca -0.03 0.10 0.01 0.00 3.98 0.00 0.00 57.97 62.02 2jfm h PHE 265 Cb 0.40 0.81 -0.04 0.00 2.56 0.00 0.00 35.95 39.69 2jfm h PHE 265 CO 0.01 -0.44 0.48 0.87 -2.02 0.00 0.00 178.31 177.20 2jfm h LYS 266 N -0.24 0.95 -0.09 1.11 1.57 -1.48 -1.87 116.57 116.52 2jfm h LYS 266 Ca 0.13 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2jfm h LYS 266 Cb 0.54 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2jfm h LYS 266 CO -0.72 0.63 -0.07 0.22 -0.57 0.00 0.00 179.45 178.94 2jfm h ASP 267 N 0.98 0.22 -0.29 0.86 -0.00 -0.27 -2.83 116.42 115.09 2jfm h ASP 267 Ca 0.26 -0.45 0.07 0.00 -0.00 0.00 0.00 57.03 56.91 2jfm h ASP 267 Cb -0.11 -0.06 -0.08 0.00 -0.00 0.00 0.00 39.33 39.08 2jfm h ASP 267 CO -0.06 0.63 -0.25 0.15 -0.00 0.00 0.00 179.24 179.71 2jfm h PHE 268 N -0.18 -0.68 -0.96 0.28 3.57 -0.36 0.99 116.94 119.61 2jfm h PHE 268 Ca 0.02 0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.73 2jfm h PHE 268 Cb 0.55 0.34 -0.10 0.00 2.79 0.00 0.00 35.95 39.54 2jfm h PHE 268 CO 0.08 -0.33 0.55 -0.07 -2.23 0.00 0.00 178.31 176.31 2jfm h LEU 269 N -0.24 0.71 -1.60 0.59 3.38 -1.37 0.00 115.31 116.79 2jfm h LEU 269 Ca 0.15 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2jfm h LEU 269 Cb 0.48 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2jfm h LEU 269 CO -0.43 0.27 -0.21 0.11 0.09 0.00 0.00 178.44 178.27 2jfm h LYS 270 N 0.74 0.00 0.00 1.13 6.56 -0.56 0.54 116.57 124.98 2jfm h LYS 270 Ca 0.54 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 60.10 2jfm h LYS 270 Cb 0.79 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.45 2jfm h LYS 270 CO -0.37 0.21 -0.17 0.87 -2.06 0.00 0.00 179.45 177.93 2jfm h LYS 271 N 0.00 0.00 0.10 3.15 1.79 -0.53 -3.32 116.57 117.76 2jfm h LYS 271 Ca -0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 2jfm h LYS 271 Cb 0.40 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 2jfm h LYS 271 CO 0.03 0.15 -1.95 0.00 -1.08 0.00 0.00 179.45 176.60 2jfm n LEU 273 N -3.60 5.84 -3.67 0.00 4.77 0.18 -3.76 117.00 116.76 2jfm n LEU 273 Ca -0.33 -5.01 -0.23 0.00 -0.03 0.00 0.00 56.01 50.40 2jfm n LEU 273 Cb 1.00 -1.43 -0.17 0.00 -2.33 0.00 0.00 43.42 40.48 2jfm n LEU 273 CO 0.38 1.39 -0.34 -0.70 -1.33 0.00 0.00 177.39 176.79 2jfm s GLU 274 N -1.38 0.13 0.20 3.23 2.56 -1.26 -4.73 118.70 117.45 2jfm s GLU 274 Ca 0.33 0.10 -0.04 0.00 0.00 0.00 0.00 54.97 55.35 2jfm s GLU 274 Cb -0.04 -1.21 0.13 0.00 2.00 0.00 0.00 34.13 35.02 2jfm s GLU 274 CO -0.01 -0.48 1.55 0.87 -0.56 0.00 0.00 175.26 176.63 2jfm h LYS 275 N 8.40 0.68 -5.79 4.30 1.57 -1.95 -3.38 116.57 120.40 2jfm h LYS 275 Ca -0.14 -0.35 -0.44 0.00 -1.87 0.00 0.00 60.65 57.84 2jfm h LYS 275 Cb 1.13 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 2jfm h LYS 275 CO 0.23 0.96 1.33 1.21 -0.57 0.00 0.00 179.45 182.62 2jfm s ASN 276 N -6.85 4.87 0.40 0.86 2.47 -1.26 -4.81 114.94 110.63 2jfm s ASN 276 Ca -0.09 0.51 0.20 0.00 0.42 0.00 0.00 52.86 53.91 2jfm s ASN 276 Cb 0.12 -2.52 1.16 0.00 -1.45 0.00 0.00 41.25 38.56 2jfm s ASN 276 CO 0.84 -2.68 1.73 0.58 -3.72 0.00 0.00 177.10 173.85 2jfm h VAL 277 N 7.25 0.42 -0.01 -5.21 2.07 -1.96 -0.15 116.25 118.66 2jfm h VAL 277 Ca -0.21 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2jfm h VAL 277 Cb 1.18 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2jfm h VAL 277 CO 1.19 0.06 0.00 0.44 0.02 0.00 0.00 177.57 179.28 2jfm h ASP 278 N 0.33 0.02 -0.99 0.57 3.32 -1.92 -2.86 116.42 114.88 2jfm h ASP 278 Ca 0.65 -0.17 0.10 0.00 0.02 0.00 0.00 57.03 57.64 2jfm h ASP 278 Cb 1.73 -0.00 -0.08 0.00 0.22 0.00 0.00 39.33 41.20 2jfm h ASP 278 CO -0.35 0.18 0.63 0.00 -1.72 0.00 0.00 179.24 177.98 2jfm h ALA 279 N 0.84 1.51 -2.74 3.45 0.00 -1.40 -3.43 119.26 117.49 2jfm h ALA 279 Ca 0.00 0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.36 2jfm h ALA 279 Cb 0.17 -0.23 0.12 0.00 0.00 0.00 0.00 17.79 17.84 2jfm h ALA 279 CO -0.00 0.28 0.59 -2.13 0.00 0.00 0.00 179.25 177.99 2jfm n ARG 280 N -4.58 2.22 -2.77 0.00 0.63 -0.99 -4.92 116.66 106.26 2jfm n ARG 280 Ca 0.18 0.78 -0.35 0.00 -0.92 0.00 0.00 57.85 57.54 2jfm n ARG 280 Cb 0.31 -2.47 -0.06 0.00 0.45 0.00 0.00 32.46 30.69 2jfm n ARG 280 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2jfm s TRP 281 N -1.14 3.48 0.98 -0.14 0.52 -0.73 -5.01 118.94 116.90 2jfm s TRP 281 Ca 0.57 1.70 -0.13 0.00 0.02 0.00 0.00 56.10 58.26 2jfm s TRP 281 Cb -0.51 -2.92 0.18 0.00 -1.15 0.00 0.00 33.47 29.07 2jfm s TRP 281 CO 0.61 -0.03 1.11 0.95 0.02 0.00 0.00 176.95 179.61 2jfm s THR 282 N -1.85 1.99 0.17 2.01 -4.23 -1.26 -4.90 115.64 107.57 2jfm s THR 282 Ca 0.56 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.99 2jfm s THR 282 Cb -0.15 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 2jfm s THR 282 CO 0.20 0.00 1.54 0.71 -0.54 0.00 0.00 174.62 176.53 2jfm h THR 283 N -1.81 1.27 -0.07 3.99 1.35 -1.97 -1.62 112.91 114.06 2jfm h THR 283 Ca -0.53 -1.46 0.02 0.00 -0.55 0.00 0.00 66.41 63.89 2jfm h THR 283 Cb 1.33 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 69.00 2jfm h THR 283 CO 0.59 0.49 -0.06 -1.28 -0.25 0.00 0.00 175.52 175.01 2jfm h SER 284 N 0.76 -0.18 -0.62 5.36 0.87 -1.96 0.12 113.55 117.90 2jfm h SER 284 Ca 0.08 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.74 2jfm h SER 284 Cb 0.86 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.86 2jfm h SER 284 CO 0.08 -0.08 0.32 1.56 -0.53 0.00 0.00 176.83 178.17 2jfm h GLN 285 N -0.07 0.58 -0.30 2.24 4.20 -1.93 -3.15 115.11 116.68 2jfm h GLN 285 Ca 0.05 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2jfm h GLN 285 Cb 0.14 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2jfm h GLN 285 CO -0.11 0.38 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.24 2jfm h LEU 286 N 0.59 0.49 -2.81 1.46 3.38 -0.17 -1.96 115.31 116.29 2jfm h LEU 286 Ca 0.28 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jfm h LEU 286 Cb 0.20 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2jfm h LEU 286 CO -0.19 0.64 0.04 -0.07 0.09 0.00 0.00 178.44 178.95 2jfm h LEU 287 N 0.47 0.00 -0.35 1.67 3.38 -0.78 -1.46 115.31 118.25 2jfm h LEU 287 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jfm h LEU 287 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2jfm h LEU 287 CO 0.03 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.42 2jfm n GLN 288 N -3.17 0.80 -2.41 1.13 6.02 -0.73 -4.82 117.38 114.20 2jfm n GLN 288 Ca -0.03 -0.35 -0.39 0.00 -0.01 0.00 0.00 57.00 56.23 2jfm n GLN 288 Cb 0.11 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 2jfm n GLN 288 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2jfm s HIS 289 N -2.44 3.32 -0.59 1.08 2.46 -0.55 -4.95 115.29 113.62 2jfm s HIS 289 Ca 0.29 1.63 0.13 0.00 0.47 0.00 0.00 55.06 57.57 2jfm s HIS 289 Cb 0.20 -3.31 0.66 0.00 -0.13 0.00 0.00 32.58 30.00 2jfm s HIS 289 CO 0.47 -0.88 1.39 -0.35 -2.47 0.00 0.00 174.74 172.90 2jfm n PRO 290 N 0.56 0.08 0.07 2.88 -0.04 -1.26 -2.48 135.00 134.82 2jfm n PRO 290 Ca 0.02 0.54 -0.12 0.00 -0.04 0.00 0.00 63.50 63.89 2jfm n PRO 290 Cb 0.46 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 32.14 2jfm n PRO 290 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2jfm h PHE 291 N 0.00 0.53 -0.20 0.54 3.57 -1.92 -3.32 116.94 116.14 2jfm h PHE 291 Ca 0.00 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.21 2jfm h PHE 291 Cb 0.05 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2jfm h PHE 291 CO 0.00 1.12 0.00 1.33 -2.23 0.00 0.00 178.31 178.53 2jfm n VAL 292 N -3.71 0.24 -2.43 1.41 0.24 -1.03 -4.69 118.33 108.36 2jfm n VAL 292 Ca -0.06 -0.56 -0.43 0.00 -2.04 0.00 0.00 64.34 61.25 2jfm n VAL 292 Cb 0.84 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 34.26 2jfm n VAL 292 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2jfm n THR 293 N 1.17 3.97 -4.28 3.34 -2.24 -1.22 -4.77 114.28 110.25 2jfm n THR 293 Ca 0.17 -4.05 -0.19 0.00 -2.27 0.00 0.00 64.05 57.72 2jfm n THR 293 Cb 0.55 -2.44 -0.11 0.00 -2.10 0.00 0.00 70.33 66.23 2jfm n THR 293 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2jfm s VAL 294 N 2.75 1.50 -0.06 2.28 -7.23 -1.26 -5.08 120.40 113.31 2jfm s VAL 294 Ca 0.47 -1.87 0.18 0.00 -1.81 0.00 0.00 61.98 58.96 2jfm s VAL 294 Cb 0.06 -1.71 0.33 0.00 0.56 0.00 0.00 36.38 35.61 2jfm s VAL 294 CO 0.01 -0.44 1.14 -0.90 -0.31 0.00 0.00 175.10 174.60 2jfm n ASP 295 N 0.28 0.39 -3.68 4.85 5.75 -1.26 -5.07 116.55 117.82 2jfm n ASP 295 Ca -0.13 -2.02 -0.10 0.00 -0.01 0.00 0.00 54.79 52.53 2jfm n ASP 295 Cb 0.58 -0.10 -0.11 0.00 -1.03 0.00 0.00 41.12 40.46 2jfm n ASP 295 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2jfm s SER 296 N -1.93 -0.29 -0.14 -1.12 0.15 -1.26 -5.04 113.70 104.07 2jfm s SER 296 Ca 0.22 0.89 0.10 0.00 0.70 0.00 0.00 55.95 57.86 2jfm s SER 296 Cb 0.28 1.02 0.53 0.00 -1.71 0.00 0.00 66.02 66.14 2jfm s SER 296 CO -0.10 -0.22 1.33 -0.46 1.20 0.00 0.00 173.24 174.99 2jfm n ASN 297 N 4.91 4.00 -0.17 5.45 0.23 -1.26 -4.47 115.26 123.95 2jfm n ASN 297 Ca -0.15 -2.56 -0.04 0.00 -0.53 0.00 0.00 54.58 51.30 2jfm n ASN 297 Cb 0.52 -0.60 0.02 0.00 -2.08 0.00 0.00 39.78 37.64 2jfm n ASN 297 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2jfm h LYS 298 N 2.66 -0.12 -1.17 -3.83 1.57 -1.96 -0.58 116.57 113.14 2jfm h LYS 298 Ca 0.00 0.01 0.38 0.00 -1.87 0.00 0.00 60.65 59.17 2jfm h LYS 298 Cb 1.41 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 33.61 2jfm h LYS 298 CO 0.30 -0.08 0.72 -1.35 -0.57 0.00 0.00 179.45 178.47 2jfm h PRO 299 N -0.13 0.17 0.00 3.15 0.11 -1.90 -0.43 132.00 132.98 2jfm h PRO 299 Ca 0.24 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 2jfm h PRO 299 Cb 0.51 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 2jfm h PRO 299 CO -0.61 0.11 -0.19 0.82 -0.21 0.00 0.00 178.00 177.93 2jfm h ILE 300 N 0.18 1.60 -1.21 4.15 1.08 -1.46 -2.83 117.51 119.02 2jfm h ILE 300 Ca 0.77 -2.27 0.35 0.00 -0.39 0.00 0.00 64.86 63.32 2jfm h ILE 300 Cb 2.17 3.09 -0.05 0.00 -3.07 0.00 0.00 36.82 38.96 2jfm h ILE 300 CO -0.49 0.54 0.87 0.03 -0.69 0.00 0.00 178.15 178.42 2jfm h ARG 301 N -1.00 0.00 0.10 2.37 3.08 0.05 0.30 114.38 119.28 2jfm h ARG 301 Ca -0.05 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2jfm h ARG 301 Cb 1.01 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2jfm h ARG 301 CO -0.03 0.00 -0.05 0.93 -1.07 0.00 0.00 179.97 179.75 2jfm h GLU 302 N 0.00 -0.13 -0.39 0.04 5.08 -1.31 -2.58 114.58 115.29 2jfm h GLU 302 Ca 0.58 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 59.02 2jfm h GLU 302 Cb 2.32 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 31.53 2jfm h GLU 302 CO -0.01 0.39 0.01 1.25 -1.00 0.00 0.00 179.01 179.65 2jfm h LEU 303 N -0.82 -0.15 -0.92 1.33 5.85 -0.24 -1.28 115.31 119.09 2jfm h LEU 303 Ca -0.01 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 2jfm h LEU 303 Cb 0.58 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2jfm h LEU 303 CO 0.02 -0.04 -0.47 0.16 -0.34 0.00 0.00 178.44 177.77 2jfm h ILE 304 N 0.11 1.15 -0.17 4.05 -2.65 -1.13 -2.47 117.51 116.39 2jfm h ILE 304 Ca 0.19 -1.73 -0.12 0.00 1.03 0.00 0.00 64.86 64.23 2jfm h ILE 304 Cb 0.27 1.98 -0.01 0.00 -2.05 0.00 0.00 36.82 37.01 2jfm h ILE 304 CO -0.32 0.46 -0.42 0.00 0.03 0.00 0.00 178.15 177.90 2jfm h ALA 305 N 1.53 0.95 0.00 0.16 0.00 -0.98 -3.01 119.26 117.91 2jfm h ALA 305 Ca -0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 2jfm h ALA 305 Cb 0.94 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2jfm h ALA 305 CO 0.06 0.63 -0.36 1.49 0.00 0.00 0.00 179.25 181.08 2jfm h GLU 306 N 0.34 0.00 -0.46 0.00 4.81 -0.86 -2.68 114.58 115.73 2jfm h GLU 306 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2jfm h GLU 306 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2jfm h GLU 306 CO 0.07 0.36 0.00 0.00 -0.73 0.00 0.00 179.01 178.71 2jfm n ALA 307 N -2.26 2.63 -0.43 2.92 0.00 -0.97 -5.09 120.51 117.32 2jfm n ALA 307 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2jfm n ALA 307 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2jfm n ALA 307 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86