#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fsj s SER 3 N 0.00 5.87 0.25 0.00 1.04 -1.26 -0.71 113.70 118.89 3fsj s SER 3 Ca 0.00 0.99 -0.04 0.00 0.48 0.00 0.00 55.95 57.38 3fsj s SER 3 Cb 0.00 -2.04 0.37 0.00 0.10 0.00 0.00 66.02 64.45 3fsj s SER 3 CO 0.00 -0.95 1.86 0.58 0.98 0.00 0.00 173.24 175.72 3fsj h VAL 4 N -0.19 1.06 0.22 5.02 2.07 -0.86 -0.77 116.25 122.81 3fsj h VAL 4 Ca -0.45 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 66.71 3fsj h VAL 4 Cb 1.23 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3fsj h VAL 4 CO 0.62 0.19 -0.37 -0.74 0.02 0.00 0.00 177.57 177.29 3fsj h HIS 5 N 1.06 -1.02 -0.69 1.57 2.76 -1.37 0.26 115.15 117.72 3fsj h HIS 5 Ca 0.40 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.56 3fsj h HIS 5 Cb 0.18 0.42 -0.03 0.00 1.55 0.00 0.00 27.41 29.52 3fsj h HIS 5 CO -0.02 -0.49 0.31 0.78 -1.30 0.00 0.00 177.93 177.20 3fsj h GLY 6 N -0.67 1.08 1.18 5.26 0.00 -1.77 -1.97 103.07 106.19 3fsj h GLY 6 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 3fsj h GLY 6 CO -0.15 0.53 0.03 -0.84 0.00 0.00 0.00 176.54 176.10 3fsj h THR 7 N 0.97 1.26 -0.21 4.70 2.02 -1.04 -1.58 112.91 119.03 3fsj h THR 7 Ca 0.23 -1.08 -0.08 0.00 0.77 0.00 0.00 66.41 66.25 3fsj h THR 7 Cb 0.16 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3fsj h THR 7 CO -0.02 0.39 -0.18 0.74 0.37 0.00 0.00 175.52 176.82 3fsj h THR 8 N 0.92 1.32 -0.47 3.16 2.02 -0.68 -0.36 112.91 118.83 3fsj h THR 8 Ca 0.17 -1.32 -0.05 0.00 0.77 0.00 0.00 66.41 65.98 3fsj h THR 8 Cb 0.50 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 3fsj h THR 8 CO 0.02 0.41 0.09 1.88 0.37 0.00 0.00 175.52 178.29 3fsj h TYR 9 N 0.18 0.73 -0.36 3.16 0.05 -1.33 -0.36 116.97 119.04 3fsj h TYR 9 Ca 0.04 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 3fsj h TYR 9 Cb 0.72 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 3fsj h TYR 9 CO 0.08 0.63 0.12 1.49 -1.05 0.00 0.00 178.16 179.43 3fsj h GLU 10 N 0.69 0.55 -0.44 4.88 4.57 -1.11 -0.91 114.58 122.80 3fsj h GLU 10 Ca 0.15 -0.12 0.05 0.00 -1.18 0.00 0.00 59.36 58.27 3fsj h GLU 10 Cb 0.29 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 3fsj h GLU 10 CO 0.00 0.57 0.17 1.25 -1.18 0.00 0.00 179.01 179.82 3fsj h LEU 11 N 0.43 0.20 -0.06 1.64 5.85 -0.68 -0.32 115.31 122.37 3fsj h LEU 11 Ca 0.12 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3fsj h LEU 11 Cb 0.24 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3fsj h LEU 11 CO -0.01 0.15 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.13 3fsj h LEU 12 N 0.35 -0.14 -0.85 2.25 3.38 -0.83 -1.21 115.31 118.26 3fsj h LEU 12 Ca 0.20 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 3fsj h LEU 12 Cb 0.18 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3fsj h LEU 12 CO -0.19 -0.07 0.00 0.08 0.09 0.00 0.00 178.44 178.35 3fsj h ARG 13 N -0.05 0.86 0.00 1.13 0.11 -0.93 -0.07 114.38 115.43 3fsj h ARG 13 Ca 0.04 -0.24 -0.02 0.00 0.10 0.00 0.00 59.98 59.86 3fsj h ARG 13 Cb 0.11 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.09 3fsj h ARG 13 CO -0.09 0.86 -0.09 0.00 0.10 0.00 0.00 179.97 180.75 3fsj h ARG 14 N 0.80 0.00 -0.68 0.08 2.47 -0.83 -1.69 114.38 114.53 3fsj h ARG 14 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3fsj h ARG 14 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 3fsj h ARG 14 CO 0.02 0.09 0.00 1.04 0.56 0.00 0.00 179.97 181.68 3fsj n GLN 15 N -3.34 2.90 -0.54 0.04 1.13 -0.48 -4.85 117.38 112.25 3fsj n GLN 15 Ca -0.01 -2.54 0.00 0.00 -1.94 0.00 0.00 57.00 52.51 3fsj n GLN 15 Cb 0.28 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 28.99 3fsj n GLN 15 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fsj n GLY 16 N 1.44 0.73 3.72 1.08 0.00 -0.63 -5.04 105.19 106.49 3fsj n GLY 16 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3fsj n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fsj s ILE 17 N -2.10 5.25 0.00 -0.61 1.01 -0.11 -4.93 121.20 119.71 3fsj s ILE 17 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.40 3fsj s ILE 17 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.74 3fsj s ILE 17 CO 0.00 0.36 0.19 -0.90 0.00 0.00 0.00 174.94 174.59 3fsj n ASP 18 N 3.64 0.06 -4.00 3.58 5.68 -1.26 -3.57 116.55 120.68 3fsj n ASP 18 Ca -0.09 -1.02 -0.19 0.00 -0.50 0.00 0.00 54.79 52.99 3fsj n ASP 18 Cb 0.52 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.34 3fsj n ASP 18 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3fsj s THR 19 N -0.02 0.71 -0.22 2.12 2.01 -1.26 -0.89 115.64 118.09 3fsj s THR 19 Ca 0.00 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 3fsj s THR 19 Cb 0.00 -0.63 0.01 0.00 0.01 0.00 0.00 72.50 71.89 3fsj s THR 19 CO 0.00 0.22 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.36 3fsj s VAL 20 N 0.10 2.82 -0.20 3.82 1.01 0.49 -4.16 120.40 124.27 3fsj s VAL 20 Ca -0.01 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 3fsj s VAL 20 Cb -0.07 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3fsj s VAL 20 CO 0.00 0.39 0.48 -0.36 0.00 0.00 0.00 175.10 175.62 3fsj s PHE 21 N 1.38 3.36 0.17 5.22 0.08 -0.31 -0.61 117.98 127.28 3fsj s PHE 21 Ca 0.04 0.71 -0.17 0.00 0.12 0.00 0.00 56.93 57.63 3fsj s PHE 21 Cb -0.15 -2.63 0.03 0.00 -0.57 0.00 0.00 43.02 39.71 3fsj s PHE 21 CO -0.07 -0.09 0.49 0.20 -0.10 0.00 0.00 175.22 175.66 3fsj s GLY 22 N 1.15 -0.16 -0.13 4.36 0.00 -0.51 -1.02 107.32 111.01 3fsj s GLY 22 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 44.72 44.79 3fsj s GLY 22 CO 0.09 -0.26 -0.03 0.21 0.00 0.00 0.00 173.10 173.12 3fsj s ASN 23 N -2.85 2.27 0.62 1.64 3.84 -1.11 -2.24 114.94 117.10 3fsj s ASN 23 Ca 0.07 -0.41 -0.10 0.00 0.21 0.00 0.00 52.86 52.64 3fsj s ASN 23 Cb -0.00 -0.68 -0.02 0.00 -0.55 0.00 0.00 41.25 39.99 3fsj s ASN 23 CO -0.06 -0.19 1.01 -2.16 -2.79 0.00 0.00 177.10 172.91 3fsj s PRO 24 N 1.80 3.35 0.34 0.43 0.04 -1.26 -3.93 135.00 135.76 3fsj s PRO 24 Ca 0.03 0.55 -0.13 0.00 0.04 0.00 0.00 61.00 61.49 3fsj s PRO 24 Cb -0.14 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.31 3fsj s PRO 24 CO -0.07 -0.65 0.65 0.20 0.04 0.00 0.00 177.00 177.17 3fsj s GLY 25 N -4.23 0.61 0.31 0.56 0.00 -1.26 -4.88 107.32 98.43 3fsj s GLY 25 Ca 0.55 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 44.39 3fsj s GLY 25 CO 0.52 -0.50 1.83 1.48 0.00 0.00 0.00 173.10 176.43 3fsj h SER 26 N 2.07 0.60 0.53 1.64 4.64 -2.00 -1.26 113.55 119.77 3fsj h SER 26 Ca -0.28 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3fsj h SER 26 Cb 1.25 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3fsj h SER 26 CO 0.37 0.67 0.00 0.78 -0.87 0.00 0.00 176.83 177.77 3fsj h ASN 27 N 0.60 0.00 0.00 4.97 2.35 -1.89 -2.73 115.58 118.88 3fsj h ASN 27 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3fsj h ASN 27 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3fsj h ASN 27 CO 0.01 0.00 -0.96 -0.62 -1.65 0.00 0.00 177.43 174.22 3fsj n GLU 28 N -2.34 1.28 -0.29 0.81 4.71 -0.51 -4.37 120.64 119.93 3fsj n GLU 28 Ca 0.01 -0.03 -0.01 0.00 -0.01 0.00 0.00 57.16 57.12 3fsj n GLU 28 Cb 0.18 -1.32 0.11 0.00 -1.01 0.00 0.00 31.44 29.40 3fsj n GLU 28 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3fsj h LEU 29 N 0.00 0.80 -2.24 -4.62 3.38 -1.13 -0.34 115.31 111.16 3fsj h LEU 29 Ca 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3fsj h LEU 29 Cb 0.46 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3fsj h LEU 29 CO 0.00 0.54 -0.00 -0.65 0.09 0.00 0.00 178.44 178.41 3fsj h PRO 30 N 0.94 0.00 0.19 1.13 0.11 -1.81 0.15 132.00 132.72 3fsj h PRO 30 Ca 0.34 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.18 3fsj h PRO 30 Cb 0.09 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.23 3fsj h PRO 30 CO -0.14 0.00 -1.22 0.35 -0.21 0.00 0.00 178.00 176.78 3fsj h PHE 31 N 0.00 0.72 0.00 0.65 3.57 -1.47 -3.38 116.94 117.03 3fsj h PHE 31 Ca -0.00 -0.53 -0.00 0.00 3.53 0.00 0.00 57.97 60.97 3fsj h PHE 31 Cb 0.25 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 3fsj h PHE 31 CO 0.00 1.47 -0.09 -0.07 -2.23 0.00 0.00 178.31 177.39 3fsj h LEU 32 N -0.12 0.00-10.20 0.59 3.38 -0.83 -3.46 115.31 104.67 3fsj h LEU 32 Ca -0.22 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.22 3fsj h LEU 32 Cb 1.90 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.80 3fsj h LEU 32 CO 0.19 0.01 0.36 -1.59 0.09 0.00 0.00 178.44 177.50 3fsj s LYS 33 N -3.22 2.08 -1.63 1.13 -2.85 0.02 -2.63 119.74 112.64 3fsj s LYS 33 Ca 0.06 1.63 -0.16 0.00 -1.00 0.00 0.00 55.97 56.50 3fsj s LYS 33 Cb 0.05 -1.84 0.12 0.00 -2.06 0.00 0.00 37.83 34.11 3fsj s LYS 33 CO 0.68 -1.85 0.86 -0.25 0.10 0.00 0.00 175.35 174.89 3fsj n ASP 34 N -2.95 -3.82 -4.68 0.03 8.00 -1.26 -4.82 116.55 107.05 3fsj n ASP 34 Ca 0.12 -0.92 -0.45 0.00 0.71 0.00 0.00 54.79 54.26 3fsj n ASP 34 Cb 0.51 -3.23 -0.04 0.00 -0.02 0.00 0.00 41.12 38.34 3fsj n ASP 34 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3fsj n PHE 35 N -4.51 2.43 -1.92 1.24 7.35 -1.08 -4.85 117.46 116.12 3fsj n PHE 35 Ca 0.05 0.16 -0.40 0.00 -0.76 0.00 0.00 57.45 56.49 3fsj n PHE 35 Cb 0.51 -2.60 0.00 0.00 0.35 0.00 0.00 39.48 37.74 3fsj n PHE 35 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3fsj s PRO 36 N 1.35 3.97 0.57 -7.13 0.02 -1.26 -4.88 135.00 127.64 3fsj s PRO 36 Ca 0.79 2.35 0.35 0.00 0.02 0.00 0.00 61.00 64.51 3fsj s PRO 36 Cb -0.62 -2.82 1.68 0.00 0.02 0.00 0.00 34.50 32.75 3fsj s PRO 36 CO 0.37 -0.56 2.11 0.93 -0.33 0.00 0.00 177.00 179.52 3fsj h GLU 37 N 2.75 0.00 -0.00 5.54 5.08 -2.03 -1.77 114.58 124.14 3fsj h GLU 37 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3fsj h GLU 37 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3fsj h GLU 37 CO 0.63 0.04 -0.23 -0.40 -1.00 0.00 0.00 179.01 178.05 3fsj n ASP 38 N -3.24 0.70 -4.94 1.42 5.75 -1.26 -4.87 116.55 110.12 3fsj n ASP 38 Ca -0.01 -0.61 -0.26 0.00 -0.01 0.00 0.00 54.79 53.90 3fsj n ASP 38 Cb 0.23 0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.34 3fsj n ASP 38 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3fsj s PHE 39 N -2.59 3.48 -0.01 2.11 0.40 -0.67 -4.92 117.98 115.78 3fsj s PHE 39 Ca 0.23 0.30 0.06 0.00 -0.60 0.00 0.00 56.93 56.93 3fsj s PHE 39 Cb 0.19 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 3fsj s PHE 39 CO 0.53 0.32 -0.20 0.50 0.70 0.00 0.00 175.22 177.07 3fsj s ARG 40 N -3.66 2.22 -0.16 0.44 3.52 -0.07 -4.90 118.95 116.34 3fsj s ARG 40 Ca 0.38 -0.87 -0.02 0.00 -0.13 0.00 0.00 55.73 55.09 3fsj s ARG 40 Cb -0.10 -2.19 -0.02 0.00 -1.56 0.00 0.00 34.95 31.08 3fsj s ARG 40 CO 0.31 0.57 -0.09 -0.47 -0.81 0.00 0.00 175.30 174.81 3fsj s TYR 41 N -0.74 2.90 -0.34 5.12 5.04 -1.26 -0.38 117.35 127.69 3fsj s TYR 41 Ca 0.12 -0.65 -0.05 0.00 -2.44 0.00 0.00 57.07 54.05 3fsj s TYR 41 Cb -0.10 -1.94 0.05 0.00 0.35 0.00 0.00 41.96 40.32 3fsj s TYR 41 CO 0.01 -0.26 0.10 0.42 -1.34 0.00 0.00 175.55 174.48 3fsj s ILE 42 N 0.65 3.56 0.10 3.14 -1.09 0.22 -4.97 121.20 122.82 3fsj s ILE 42 Ca -0.05 -1.31 -0.27 0.00 -2.23 0.00 0.00 60.65 56.79 3fsj s ILE 42 Cb -0.15 -3.08 -0.06 0.00 -1.58 0.00 0.00 42.46 37.59 3fsj s ILE 42 CO 0.03 -0.24 0.84 -0.22 -1.23 0.00 0.00 174.94 174.12 3fsj s LEU 43 N 1.34 4.51 0.16 2.97 2.96 -1.26 -1.42 118.68 127.93 3fsj s LEU 43 Ca -0.01 1.63 0.06 0.00 -0.22 0.00 0.00 54.13 55.59 3fsj s LEU 43 Cb -0.20 -3.38 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 3fsj s LEU 43 CO 0.01 0.04 -0.14 0.00 -1.32 0.00 0.00 176.35 174.94 3fsj s ALA 44 N -0.32 1.71 -0.87 5.97 0.00 -0.95 -4.67 121.76 122.63 3fsj s ALA 44 Ca 0.41 -1.48 0.26 0.00 0.00 0.00 0.00 51.96 51.14 3fsj s ALA 44 Cb -0.22 -0.06 0.64 0.00 0.00 0.00 0.00 23.12 23.47 3fsj s ALA 44 CO 0.26 0.06 1.53 1.28 0.00 0.00 0.00 175.76 178.89 3fsj n LEU 45 N 0.04 0.48 -3.77 0.00 4.77 -1.26 -4.49 117.00 112.78 3fsj n LEU 45 Ca -0.12 0.22 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 3fsj n LEU 45 Cb 0.59 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 3fsj n LEU 45 CO 0.31 0.02 0.01 -1.58 -1.33 0.00 0.00 177.39 174.82 3fsj s GLN 46 N -3.06 0.71 0.36 3.23 -0.44 -1.26 -5.08 119.66 114.12 3fsj s GLN 46 Ca 0.10 -0.32 0.18 0.00 -2.50 0.00 0.00 55.36 52.82 3fsj s GLN 46 Cb 0.16 0.31 0.59 0.00 -1.64 0.00 0.00 33.01 32.43 3fsj s GLN 46 CO 0.66 -0.21 1.69 0.93 0.50 0.00 0.00 175.29 178.87 3fsj h GLU 47 N 3.65 0.00 -0.52 1.67 3.07 -1.86 -1.06 114.58 119.53 3fsj h GLU 47 Ca -0.30 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 3fsj h GLU 47 Cb 1.18 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 3fsj h GLU 47 CO 0.42 0.41 0.30 0.00 -1.40 0.00 0.00 179.01 178.74 3fsj h ALA 48 N 1.59 1.54 -0.14 3.43 0.00 -1.88 -1.22 119.26 122.58 3fsj h ALA 48 Ca -0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3fsj h ALA 48 Cb 0.96 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3fsj h ALA 48 CO 0.05 0.39 -0.38 0.00 0.00 0.00 0.00 179.25 179.32 3fsj h VAL 50 N 0.12 0.51 -0.36 0.00 2.07 -1.00 -0.47 116.25 117.11 3fsj h VAL 50 Ca -0.01 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.35 3fsj h VAL 50 Cb 0.99 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3fsj h VAL 50 CO 0.08 0.00 -0.41 0.58 0.02 0.00 0.00 177.57 177.84 3fsj h VAL 51 N -0.23 1.27 -0.63 2.57 2.07 -1.26 -1.78 116.25 118.27 3fsj h VAL 51 Ca 0.11 -1.58 0.03 0.00 0.82 0.00 0.00 66.70 66.07 3fsj h VAL 51 Cb 0.39 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3fsj h VAL 51 CO -0.29 0.53 0.39 1.23 0.02 0.00 0.00 177.57 179.45 3fsj h GLY 52 N 0.79 0.90 0.92 2.17 0.00 -0.90 0.15 103.07 107.09 3fsj h GLY 52 Ca 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3fsj h GLY 52 CO 0.10 0.26 -0.01 -2.22 0.00 0.00 0.00 176.54 174.66 3fsj h ILE 53 N 0.77 1.04 -0.91 2.60 2.04 -0.97 -1.21 117.51 120.87 3fsj h ILE 53 Ca 0.25 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3fsj h ILE 53 Cb 0.01 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3fsj h ILE 53 CO -0.10 0.05 0.60 0.00 0.00 0.00 0.00 178.15 178.70 3fsj h ALA 54 N 0.86 1.42 0.17 1.87 0.00 -1.04 -1.07 119.26 121.47 3fsj h ALA 54 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3fsj h ALA 54 Cb 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3fsj h ALA 54 CO 0.01 0.49 -0.08 0.22 0.00 0.00 0.00 179.25 179.89 3fsj h ASP 55 N 1.14 -0.19 -0.76 0.00 1.82 -0.51 0.50 116.42 118.42 3fsj h ASP 55 Ca 0.36 -0.11 0.09 0.00 -0.39 0.00 0.00 57.03 56.97 3fsj h ASP 55 Cb 0.01 0.05 -0.07 0.00 0.68 0.00 0.00 39.33 40.00 3fsj h ASP 55 CO -0.11 -0.00 0.42 1.23 -1.61 0.00 0.00 179.24 179.17 3fsj h GLY 56 N -0.38 1.16 0.98 -0.78 0.00 -0.94 -0.05 103.07 103.05 3fsj h GLY 56 Ca -0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3fsj h GLY 56 CO 0.04 0.12 0.13 -1.82 0.00 0.00 0.00 176.54 175.00 3fsj h TYR 57 N 0.72 0.27 -0.46 5.60 3.20 -0.96 -1.51 116.97 123.82 3fsj h TYR 57 Ca 0.36 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 3fsj h TYR 57 Cb 0.32 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3fsj h TYR 57 CO -0.08 0.20 0.12 0.00 -1.64 0.00 0.00 178.16 176.76 3fsj h ALA 58 N 1.04 0.61 -0.48 1.82 0.00 -0.46 -0.02 119.26 121.76 3fsj h ALA 58 Ca 0.07 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3fsj h ALA 58 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3fsj h ALA 58 CO -0.01 0.29 0.10 1.96 0.00 0.00 0.00 179.25 181.59 3fsj h GLN 59 N 0.62 0.78 -0.15 0.00 4.20 -0.90 0.19 115.11 119.85 3fsj h GLN 59 Ca 0.15 -0.20 -0.21 0.00 0.06 0.00 0.00 58.65 58.45 3fsj h GLN 59 Cb 0.32 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.01 3fsj h GLN 59 CO 0.00 0.78 -0.75 0.00 -0.67 0.00 0.00 178.83 178.19 3fsj h ALA 60 N 0.97 0.39 0.00 3.87 0.00 -1.24 -3.20 119.26 120.06 3fsj h ALA 60 Ca 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3fsj h ALA 60 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3fsj h ALA 60 CO 0.01 0.70 0.00 0.66 0.00 0.00 0.00 179.25 180.62 3fsj h SER 61 N 0.49 0.00 -6.01 0.00 4.64 -0.92 -3.48 113.55 108.26 3fsj h SER 61 Ca -0.04 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.86 3fsj h SER 61 Cb 1.36 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.52 3fsj h SER 61 CO 0.15 0.00 -0.75 0.54 -0.87 0.00 0.00 176.83 175.90 3fsj n ARG 62 N -2.39 -6.43 -3.67 4.77 1.74 0.04 -5.00 116.66 105.72 3fsj n ARG 62 Ca 0.05 0.72 -0.10 0.00 -0.77 0.00 0.00 57.85 57.75 3fsj n ARG 62 Cb 0.43 -5.63 -0.05 0.00 -1.02 0.00 0.00 32.46 26.20 3fsj n ARG 62 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3fsj s LYS 63 N -6.22 1.13 0.57 5.56 -2.85 -1.14 -5.08 119.74 111.71 3fsj s LYS 63 Ca 0.42 -0.76 -0.20 0.00 -1.00 0.00 0.00 55.97 54.43 3fsj s LYS 63 Cb -0.20 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 3fsj s LYS 63 CO 0.78 -0.45 1.27 -2.14 0.10 0.00 0.00 175.35 174.91 3fsj s PRO 64 N -3.83 3.04 0.03 1.78 0.02 -1.26 -4.42 135.00 130.37 3fsj s PRO 64 Ca 0.05 2.01 0.08 0.00 0.02 0.00 0.00 61.00 63.16 3fsj s PRO 64 Cb 0.01 -2.08 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 3fsj s PRO 64 CO -0.10 -1.20 -0.21 0.00 -0.33 0.00 0.00 177.00 175.16 3fsj s ALA 65 N -1.44 2.47 -0.15 -1.55 0.00 -0.61 -4.90 121.76 115.57 3fsj s ALA 65 Ca 0.75 -1.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 3fsj s ALA 65 Cb -0.35 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 3fsj s ALA 65 CO 0.40 0.56 -0.03 0.12 0.00 0.00 0.00 175.76 176.80 3fsj s PHE 66 N -0.86 3.03 0.01 0.00 2.19 -1.26 -0.80 117.98 120.30 3fsj s PHE 66 Ca 0.13 -0.26 0.07 0.00 0.33 0.00 0.00 56.93 57.20 3fsj s PHE 66 Cb -0.10 -1.94 -0.02 0.00 -1.31 0.00 0.00 43.02 39.64 3fsj s PHE 66 CO 0.04 0.00 -0.20 0.42 1.83 0.00 0.00 175.22 177.31 3fsj s ILE 67 N 0.27 1.60 -0.16 3.12 1.01 0.12 -1.16 121.20 126.01 3fsj s ILE 67 Ca -0.03 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 3fsj s ILE 67 Cb -0.14 -1.36 0.04 0.00 0.01 0.00 0.00 42.46 41.01 3fsj s ILE 67 CO 0.03 0.34 -0.05 0.21 0.00 0.00 0.00 174.94 175.46 3fsj s ASN 68 N -0.77 2.70 0.34 3.58 2.47 -0.19 -0.72 114.94 122.35 3fsj s ASN 68 Ca 0.07 -0.60 0.09 0.00 0.42 0.00 0.00 52.86 52.85 3fsj s ASN 68 Cb -0.08 -0.89 -0.06 0.00 -1.45 0.00 0.00 41.25 38.77 3fsj s ASN 68 CO 0.00 -0.18 -0.08 -0.76 -3.72 0.00 0.00 177.10 172.37 3fsj s LEU 69 N 1.66 2.77 -0.54 3.21 1.43 0.52 -2.76 118.68 124.97 3fsj s LEU 69 Ca 0.01 -1.17 -0.18 0.00 -1.03 0.00 0.00 54.13 51.76 3fsj s LEU 69 Cb -0.15 -1.05 0.08 0.00 0.03 0.00 0.00 46.19 45.11 3fsj s LEU 69 CO -0.08 -0.21 0.63 -2.28 0.23 0.00 0.00 176.35 174.64 3fsj s HIS 70 N -2.60 3.06 0.00 0.29 5.65 -1.25 -2.27 115.29 118.16 3fsj s HIS 70 Ca 0.33 -0.80 0.00 0.00 0.25 0.00 0.00 55.06 54.83 3fsj s HIS 70 Cb 0.02 -3.73 0.00 0.00 -1.18 0.00 0.00 32.58 27.70 3fsj s HIS 70 CO 0.17 -1.12 0.00 0.45 -0.65 0.00 0.00 174.74 173.58 3fsj n SER 71 N 6.10 0.00 -0.04 9.88 2.88 -1.01 -0.47 113.62 130.96 3fsj n SER 71 Ca -0.09 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.29 3fsj n SER 71 Cb 0.44 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.82 3fsj n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fsj h ALA 72 N -0.41 0.29 -0.47 -1.46 0.00 -1.85 -2.40 119.26 112.96 3fsj h ALA 72 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 3fsj h ALA 72 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fsj h ALA 72 CO 0.00 0.56 -0.13 0.00 0.00 0.00 0.00 179.25 179.68 3fsj h ALA 73 N 0.55 0.65 -0.25 0.00 0.00 -1.97 0.33 119.26 118.57 3fsj h ALA 73 Ca -0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 3fsj h ALA 73 Cb 1.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3fsj h ALA 73 CO 0.13 0.56 0.00 0.78 0.00 0.00 0.00 179.25 180.73 3fsj h GLY 74 N 0.76 0.48 0.87 0.00 0.00 -0.86 -0.79 103.07 103.53 3fsj h GLY 74 Ca 0.12 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.12 3fsj h GLY 74 CO 0.05 0.32 0.11 -0.84 0.00 0.00 0.00 176.54 176.18 3fsj h THR 75 N 0.22 0.98 -0.65 4.70 2.02 -1.31 -2.89 112.91 115.98 3fsj h THR 75 Ca 0.07 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.21 3fsj h THR 75 Cb 0.41 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 3fsj h THR 75 CO 0.01 0.04 0.38 1.23 0.37 0.00 0.00 175.52 177.56 3fsj h GLY 76 N 0.24 0.94 2.00 2.16 0.00 -0.18 -0.91 103.07 107.31 3fsj h GLY 76 Ca 0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 3fsj h GLY 76 CO -0.08 0.20 -0.00 3.43 0.00 0.00 0.00 176.54 180.09 3fsj h ASN 77 N 0.72 0.00 -0.04 0.19 2.35 -0.94 -2.30 115.58 115.56 3fsj h ASN 77 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3fsj h ASN 77 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3fsj h ASN 77 CO -0.14 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.64 3fsj n ALA 78 N -2.17 2.52 0.15 -0.83 0.00 -0.36 -3.36 120.51 116.46 3fsj n ALA 78 Ca -0.03 -0.58 0.01 0.00 0.00 0.00 0.00 53.44 52.84 3fsj n ALA 78 Cb 0.07 -0.99 0.23 0.00 0.00 0.00 0.00 19.45 18.76 3fsj n ALA 78 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3fsj h MET 79 N 3.47 0.00 -0.66 0.00 2.86 -1.28 -0.85 114.93 118.46 3fsj h MET 79 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3fsj h MET 79 Cb 0.74 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 3fsj h MET 79 CO 0.00 0.53 0.29 0.78 1.06 0.00 0.00 176.91 179.57 3fsj h GLY 80 N 1.81 1.05 1.26 8.32 0.00 -1.81 -1.83 103.07 111.87 3fsj h GLY 80 Ca -0.01 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 3fsj h GLY 80 CO 0.07 0.52 0.13 0.00 0.00 0.00 0.00 176.54 177.26 3fsj h ALA 81 N 1.13 1.12 -0.09 3.60 0.00 -1.69 -2.34 119.26 120.99 3fsj h ALA 81 Ca 0.22 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3fsj h ALA 81 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3fsj h ALA 81 CO -0.02 0.59 -0.19 -0.07 0.00 0.00 0.00 179.25 179.55 3fsj h LEU 82 N 0.88 0.14 -0.63 0.00 3.38 -0.91 -2.12 115.31 116.05 3fsj h LEU 82 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3fsj h LEU 82 Cb 0.33 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3fsj h LEU 82 CO 0.00 0.35 0.41 0.77 0.09 0.00 0.00 178.44 180.06 3fsj h SER 83 N 0.14 0.73 -0.27 -0.43 4.64 -0.77 -0.33 113.55 117.25 3fsj h SER 83 Ca 0.03 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3fsj h SER 83 Cb 0.42 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3fsj h SER 83 CO 0.03 0.53 0.11 0.78 -0.87 0.00 0.00 176.83 177.41 3fsj h ASN 84 N 0.85 0.38 -0.75 4.97 2.35 -1.37 -2.94 115.58 119.07 3fsj h ASN 84 Ca 0.23 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.85 3fsj h ASN 84 Cb -0.09 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.14 3fsj h ASN 84 CO -0.05 0.44 0.49 0.00 -1.65 0.00 0.00 177.43 176.67 3fsj h ALA 85 N 0.95 1.56 -0.13 -0.83 0.00 -1.00 -1.05 119.26 118.76 3fsj h ALA 85 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fsj h ALA 85 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3fsj h ALA 85 CO -0.01 0.36 0.09 2.35 0.00 0.00 0.00 179.25 182.04 3fsj h TRP 86 N 0.91 0.17 0.00 0.00 2.91 -0.99 -1.29 115.95 117.67 3fsj h TRP 86 Ca 0.30 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.26 3fsj h TRP 86 Cb 0.05 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 3fsj h TRP 86 CO -0.00 0.12 -0.30 -0.91 -1.03 0.00 0.00 178.44 176.32 3fsj h ASN 87 N 0.17 0.00 -0.18 2.65 4.21 -1.08 -2.74 115.58 118.61 3fsj h ASN 87 Ca 0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.56 3fsj h ASN 87 Cb -0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3fsj h ASN 87 CO -0.01 0.30 0.00 -1.54 -1.29 0.00 0.00 177.43 174.89 3fsj n SER 88 N -3.73 2.19 -3.80 5.81 3.41 -0.51 -4.94 113.62 112.06 3fsj n SER 88 Ca -0.01 -1.77 -0.27 0.00 -0.26 0.00 0.00 58.87 56.55 3fsj n SER 88 Cb 0.40 -0.11 0.04 0.00 -0.26 0.00 0.00 64.21 64.29 3fsj n SER 88 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3fsj n HIS 89 N 0.68 -2.42 -2.69 7.33 8.25 -0.85 -4.92 115.22 120.58 3fsj n HIS 89 Ca 0.17 0.93 -0.42 0.00 -0.26 0.00 0.00 57.72 58.14 3fsj n HIS 89 Cb 0.43 -4.33 -0.03 0.00 1.12 0.00 0.00 29.99 27.18 3fsj n HIS 89 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3fsj s SER 90 N -3.44 7.23 -1.06 0.41 0.01 -0.55 -3.86 113.70 112.44 3fsj s SER 90 Ca 0.56 1.52 -0.22 0.00 1.31 0.00 0.00 55.95 59.12 3fsj s SER 90 Cb -0.27 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.43 3fsj s SER 90 CO 0.80 -0.45 1.65 -2.16 0.41 0.00 0.00 173.24 173.49 3fsj s PRO 91 N 2.03 3.36 -0.15 12.44 0.04 -1.26 -2.03 135.00 149.43 3fsj s PRO 91 Ca 0.48 -1.10 -0.01 0.00 0.04 0.00 0.00 61.00 60.41 3fsj s PRO 91 Cb -0.18 -5.32 -0.01 0.00 0.04 0.00 0.00 34.50 29.03 3fsj s PRO 91 CO 0.18 -2.60 -0.11 -0.51 0.04 0.00 0.00 177.00 173.99 3fsj s LEU 92 N 6.40 2.75 -0.52 -3.56 1.43 -1.22 -1.57 118.68 122.39 3fsj s LEU 92 Ca 0.54 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 53.14 3fsj s LEU 92 Cb -0.01 -1.64 0.11 0.00 0.03 0.00 0.00 46.19 44.69 3fsj s LEU 92 CO -0.03 0.12 0.46 -0.63 0.23 0.00 0.00 176.35 176.51 3fsj s ILE 93 N 0.61 5.18 -0.35 -0.59 1.01 0.02 -0.97 121.20 126.11 3fsj s ILE 93 Ca -0.07 -1.38 -0.16 0.00 0.00 0.00 0.00 60.65 59.05 3fsj s ILE 93 Cb -0.15 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.05 3fsj s ILE 93 CO 0.03 -0.78 0.38 -0.69 0.00 0.00 0.00 174.94 173.88 3fsj s VAL 94 N 1.60 5.15 0.03 2.92 1.01 -0.18 -0.70 120.40 130.24 3fsj s VAL 94 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3fsj s VAL 94 Cb -0.28 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3fsj s VAL 94 CO 0.04 -0.15 0.00 0.42 0.00 0.00 0.00 175.10 175.42 3fsj s THR 95 N 2.05 4.13 -0.01 3.92 -4.23 0.10 -0.69 115.64 120.92 3fsj s THR 95 Ca 0.12 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 3fsj s THR 95 Cb -0.17 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.79 3fsj s THR 95 CO 0.12 0.29 -0.02 0.00 -0.54 0.00 0.00 174.62 174.46 3fsj s ALA 96 N -1.17 0.26 0.24 3.99 0.00 -0.24 -0.35 121.76 124.49 3fsj s ALA 96 Ca 0.22 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 3fsj s ALA 96 Cb -0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 3fsj s ALA 96 CO 0.13 0.03 0.97 0.20 0.00 0.00 0.00 175.76 177.10 3fsj s GLY 97 N 0.15 3.10 0.26 0.00 0.00 -0.96 -1.57 107.32 108.30 3fsj s GLY 97 Ca -0.01 0.67 0.09 0.00 0.00 0.00 0.00 44.72 45.47 3fsj s GLY 97 CO -0.00 1.27 0.05 1.62 0.00 0.00 0.00 173.10 176.04 3fsj s GLN 98 N -1.17 2.47 0.91 2.90 2.00 -0.12 -2.39 119.66 124.27 3fsj s GLN 98 Ca 0.42 -1.32 -0.11 0.00 -2.00 0.00 0.00 55.36 52.35 3fsj s GLN 98 Cb -0.27 -2.27 0.12 0.00 0.80 0.00 0.00 33.01 31.39 3fsj s GLN 98 CO 0.34 0.37 1.02 1.04 -0.50 0.00 0.00 175.29 177.56 3fsj n GLN 99 N -0.98 -0.36 -1.71 1.67 1.13 -1.25 -1.35 117.38 114.53 3fsj n GLN 99 Ca -0.07 -0.04 -0.40 0.00 -1.94 0.00 0.00 57.00 54.55 3fsj n GLN 99 Cb 0.59 -2.29 0.02 0.00 0.11 0.00 0.00 30.24 28.67 3fsj n GLN 99 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 3fsj n THR 100 N -4.03 2.84 -0.13 5.09 5.66 -1.26 -3.62 114.28 118.82 3fsj n THR 100 Ca 0.11 -0.50 0.15 0.00 -3.05 0.00 0.00 64.05 60.76 3fsj n THR 100 Cb 0.52 -1.57 0.52 0.00 -1.55 0.00 0.00 70.33 68.24 3fsj n THR 100 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 3fsj h ARG 101 N 1.90 0.37 0.00 1.09 3.08 -1.92 -0.05 114.38 118.86 3fsj h ARG 101 Ca -0.49 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3fsj h ARG 101 Cb 1.30 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3fsj h ARG 101 CO 0.59 0.25 0.00 0.00 -1.07 0.00 0.00 179.97 179.74 3fsj n ALA 102 N -2.53 1.59 0.29 0.04 0.00 -1.26 -2.97 120.51 115.67 3fsj n ALA 102 Ca 0.13 0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.67 3fsj n ALA 102 Cb 0.49 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.61 3fsj n ALA 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3fsj n MET 103 N -2.11 0.40 -0.15 0.00 2.81 -0.05 -4.65 117.12 113.36 3fsj n MET 103 Ca 0.02 -0.83 -0.10 0.00 -1.81 0.00 0.00 57.70 54.97 3fsj n MET 103 Cb 0.20 -1.10 -0.01 0.00 -0.71 0.00 0.00 33.22 31.60 3fsj n MET 103 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3fsj h ILE 104 N 1.24 1.26 -0.69 2.02 2.04 -1.40 -2.98 117.51 119.00 3fsj h ILE 104 Ca 0.00 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 64.84 3fsj h ILE 104 Cb 0.28 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 3fsj h ILE 104 CO 0.00 0.36 0.42 1.23 0.00 0.00 0.00 178.15 180.16 3fsj h GLY 105 N 0.62 1.00 1.83 5.37 0.00 -1.83 -1.40 103.07 108.66 3fsj h GLY 105 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3fsj h GLY 105 CO 0.02 0.26 0.00 1.55 0.00 0.00 0.00 176.54 178.37 3fsj n VAL 106 N -4.69 0.25 -3.45 4.60 3.14 -1.23 -4.91 118.33 112.04 3fsj n VAL 106 Ca 0.08 0.06 -0.19 0.00 -2.96 0.00 0.00 64.34 61.33 3fsj n VAL 106 Cb 0.10 -0.64 0.06 0.00 -1.06 0.00 0.00 33.84 32.30 3fsj n VAL 106 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3fsj n GLU 107 N -1.41 -3.70 -1.10 1.45 1.02 -0.53 -4.97 120.64 111.40 3fsj n GLU 107 Ca 0.08 0.75 -0.34 0.00 -0.02 0.00 0.00 57.16 57.63 3fsj n GLU 107 Cb 0.25 -5.44 0.11 0.00 -0.02 0.00 0.00 31.44 26.34 3fsj n GLU 107 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fsj n ALA 108 N -3.81 -1.04 -1.57 0.62 0.00 -1.13 -4.83 120.51 108.75 3fsj n ALA 108 Ca -0.17 -0.35 -0.46 0.00 0.00 0.00 0.00 53.44 52.45 3fsj n ALA 108 Cb 0.64 -2.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 3fsj n ALA 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3fsj n LEU 109 N -1.85 1.40 0.00 0.00 7.94 -1.26 -1.38 117.00 121.84 3fsj n LEU 109 Ca 0.11 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.18 3fsj n LEU 109 Cb 0.51 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.22 3fsj n LEU 109 CO 0.49 -1.56 0.00 0.18 -1.11 0.00 0.00 177.39 175.39 3fsj n LEU 110 N 1.46 0.08 -4.71 -1.96 4.77 -1.26 -4.97 117.00 110.41 3fsj n LEU 110 Ca 0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 3fsj n LEU 110 Cb 0.30 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 3fsj n LEU 110 CO 0.60 -0.07 0.99 -0.89 -1.33 0.00 0.00 177.39 176.69 3fsj s THR 111 N -2.51 3.69 -0.65 -5.08 2.01 -0.48 -3.93 115.64 108.68 3fsj s THR 111 Ca 0.00 1.20 -0.21 0.00 0.31 0.00 0.00 61.69 62.99 3fsj s THR 111 Cb 0.00 -3.77 0.09 0.00 0.01 0.00 0.00 72.50 68.83 3fsj s THR 111 CO 0.00 0.08 0.87 0.21 -0.69 0.00 0.00 174.62 175.09 3fsj s ASN 112 N 1.17 6.22 0.12 3.53 3.84 -1.26 -4.79 114.94 123.77 3fsj s ASN 112 Ca 0.62 -1.27 -0.30 0.00 0.21 0.00 0.00 52.86 52.12 3fsj s ASN 112 Cb -0.33 -2.37 -0.06 0.00 -0.55 0.00 0.00 41.25 37.94 3fsj s ASN 112 CO 0.29 -1.27 1.11 -0.69 -2.79 0.00 0.00 177.10 173.75 3fsj s VAL 113 N 3.36 4.07 -1.43 -5.21 1.01 -1.26 -3.28 120.40 117.67 3fsj s VAL 113 Ca 0.19 1.64 -0.06 0.00 0.00 0.00 0.00 61.98 63.74 3fsj s VAL 113 Cb -0.19 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.18 3fsj s VAL 113 CO 0.07 0.21 0.74 -0.67 0.00 0.00 0.00 175.10 175.45 3fsj n ASP 114 N 3.08 -2.29 -0.21 3.32 2.03 -1.26 -4.82 116.55 116.41 3fsj n ASP 114 Ca 0.05 -0.86 0.01 0.00 0.52 0.00 0.00 54.79 54.52 3fsj n ASP 114 Cb 0.47 -3.72 0.12 0.00 -0.72 0.00 0.00 41.12 37.27 3fsj n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fsj h ALA 115 N 0.90 0.77 0.00 -1.67 0.00 -1.99 -0.80 119.26 116.47 3fsj h ALA 115 Ca -0.60 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3fsj h ALA 115 Cb 1.37 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3fsj h ALA 115 CO 0.63 -0.27 -0.06 0.00 0.00 0.00 0.00 179.25 179.54 3fsj h ALA 116 N 1.48 1.27 0.00 0.00 0.00 -1.88 -1.67 119.26 118.45 3fsj h ALA 116 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3fsj h ALA 116 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3fsj h ALA 116 CO -0.39 0.07 -0.08 -0.91 0.00 0.00 0.00 179.25 177.94 3fsj h ASN 117 N 0.00 0.00 0.05 0.00 2.35 -1.49 -3.39 115.58 113.10 3fsj h ASN 117 Ca -0.00 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3fsj h ASN 117 Cb 0.20 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3fsj h ASN 117 CO 0.01 0.00 -0.20 0.25 -1.65 0.00 0.00 177.43 175.83 3fsj h LEU 118 N 0.00 -0.58 -0.06 1.61 5.85 -1.29 -2.80 115.31 118.04 3fsj h LEU 118 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3fsj h LEU 118 Cb 0.99 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3fsj h LEU 118 CO 0.00 -0.28 -0.03 -0.81 -0.34 0.00 0.00 178.44 176.98 3fsj n PRO 119 N -5.33 0.51 -2.19 5.25 -0.04 -1.26 -4.86 135.00 127.08 3fsj n PRO 119 Ca -0.06 -0.06 -0.38 0.00 -0.04 0.00 0.00 63.50 62.97 3fsj n PRO 119 Cb 0.24 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.20 3fsj n PRO 119 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3fsj s ARG 120 N -2.53 3.80 -0.23 0.54 0.52 -1.06 -1.11 118.95 118.88 3fsj s ARG 120 Ca 0.29 1.89 0.06 0.00 -0.52 0.00 0.00 55.73 57.46 3fsj s ARG 120 Cb 0.20 -2.51 0.52 0.00 0.52 0.00 0.00 34.95 33.68 3fsj s ARG 120 CO 0.46 -0.55 1.49 -0.35 0.02 0.00 0.00 175.30 176.37 3fsj n PRO 121 N -0.30 2.84 -0.32 3.54 -0.04 -1.26 -4.98 135.00 134.47 3fsj n PRO 121 Ca 0.06 -2.12 0.09 0.00 -0.04 0.00 0.00 63.50 61.49 3fsj n PRO 121 Cb 0.47 -1.93 0.26 0.00 -0.04 0.00 0.00 33.50 32.26 3fsj n PRO 121 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3fsj n LEU 122 N -0.06 3.19 -4.20 1.53 4.77 -0.26 -4.89 117.00 117.07 3fsj n LEU 122 Ca 0.29 -1.60 -0.18 0.00 -0.03 0.00 0.00 56.01 54.50 3fsj n LEU 122 Cb 1.09 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 41.67 3fsj n LEU 122 CO 0.31 0.76 -0.45 0.68 -1.33 0.00 0.00 177.39 177.37 3fsj s VAL 123 N -1.29 1.17 0.06 4.08 -7.23 -1.25 -4.57 120.40 111.37 3fsj s VAL 123 Ca 0.39 -1.53 0.17 0.00 -1.81 0.00 0.00 61.98 59.20 3fsj s VAL 123 Cb 0.21 -1.31 0.09 0.00 0.56 0.00 0.00 36.38 35.93 3fsj s VAL 123 CO 0.26 -0.36 1.62 0.11 -0.31 0.00 0.00 175.10 176.41 3fsj h LYS 124 N 3.85 0.00 -1.94 4.82 1.57 -1.01 -3.46 116.57 120.41 3fsj h LYS 124 Ca -0.40 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.36 3fsj h LYS 124 Cb 1.19 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.29 3fsj h LYS 124 CO 0.46 0.45 0.18 -0.46 -0.57 0.00 0.00 179.45 179.52 3fsj s TRP 125 N -3.35 -0.73 -0.14 -1.35 -0.00 -1.26 -5.07 118.94 107.03 3fsj s TRP 125 Ca 0.01 1.77 -0.08 0.00 -0.00 0.00 0.00 56.10 57.80 3fsj s TRP 125 Cb 0.10 0.29 0.05 0.00 -0.00 0.00 0.00 33.47 33.91 3fsj s TRP 125 CO 0.71 -0.37 0.34 0.45 -0.00 0.00 0.00 176.95 178.09 3fsj s SER 126 N 0.28 -0.41 -0.09 5.86 0.15 -1.26 -1.08 113.70 117.15 3fsj s SER 126 Ca 0.00 0.74 -0.29 0.00 0.70 0.00 0.00 55.95 57.10 3fsj s SER 126 Cb -0.05 0.63 0.07 0.00 -1.71 0.00 0.00 66.02 64.96 3fsj s SER 126 CO 0.00 -0.18 0.67 -0.47 1.20 0.00 0.00 173.24 174.47 3fsj s TYR 127 N 1.23 -0.67 -0.10 3.44 5.04 -0.59 -4.88 117.35 120.82 3fsj s TYR 127 Ca -0.09 1.25 0.01 0.00 -2.44 0.00 0.00 57.07 55.80 3fsj s TYR 127 Cb -0.08 0.37 0.02 0.00 0.35 0.00 0.00 41.96 42.62 3fsj s TYR 127 CO -0.10 -0.56 -0.12 -2.00 -1.34 0.00 0.00 175.55 171.43 3fsj s GLU 128 N -0.90 1.90 0.60 4.97 2.12 -1.26 -1.31 118.70 124.82 3fsj s GLU 128 Ca -0.09 -0.43 -0.18 0.00 0.36 0.00 0.00 54.97 54.62 3fsj s GLU 128 Cb -0.01 -1.71 -0.03 0.00 0.26 0.00 0.00 34.13 32.64 3fsj s GLU 128 CO 0.08 -0.12 1.18 -2.14 -0.54 0.00 0.00 175.26 173.72 3fsj s PRO 129 N 1.18 2.98 0.00 4.30 0.02 -1.26 -4.94 135.00 137.29 3fsj s PRO 129 Ca -0.04 1.74 0.29 0.00 0.02 0.00 0.00 61.00 63.01 3fsj s PRO 129 Cb -0.14 -1.94 1.25 0.00 0.02 0.00 0.00 34.50 33.69 3fsj s PRO 129 CO -0.03 -1.18 1.91 0.00 -0.33 0.00 0.00 177.00 177.37 3fsj n ALA 130 N -1.68 2.54 -3.44 -1.55 0.00 -1.26 -4.88 120.51 110.24 3fsj n ALA 130 Ca 0.13 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 3fsj n ALA 130 Cb 0.50 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 3fsj n ALA 130 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fsj s SER 131 N -2.81 -0.55 0.18 0.00 1.04 -1.26 -5.06 113.70 105.24 3fsj s SER 131 Ca 0.20 -0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.47 3fsj s SER 131 Cb 0.19 0.59 0.08 0.00 0.10 0.00 0.00 66.02 66.98 3fsj s SER 131 CO 0.52 -0.96 1.84 0.00 0.98 0.00 0.00 173.24 175.62 3fsj h ALA 132 N 2.00 0.71 0.00 5.32 0.00 -1.90 -2.61 119.26 122.78 3fsj h ALA 132 Ca -0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3fsj h ALA 132 Cb 1.30 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3fsj h ALA 132 CO 0.37 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3fsj h ALA 133 N 1.20 1.00 0.00 0.00 0.00 -1.90 -1.07 119.26 118.50 3fsj h ALA 133 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3fsj h ALA 133 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3fsj h ALA 133 CO -0.04 0.00 0.00 1.49 0.00 0.00 0.00 179.25 180.70 3fsj h GLU 134 N 0.00 0.00 -0.33 0.00 4.81 -1.86 -3.39 114.58 113.81 3fsj h GLU 134 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3fsj h GLU 134 Cb 0.20 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 3fsj h GLU 134 CO 0.00 0.00 0.02 0.28 -0.73 0.00 0.00 179.01 178.58 3fsj h VAL 135 N 0.00 0.78 -0.90 0.32 2.07 -1.25 -0.48 116.25 116.79 3fsj h VAL 135 Ca 0.00 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.52 3fsj h VAL 135 Cb 0.71 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3fsj h VAL 135 CO 0.00 0.02 0.58 -0.65 0.02 0.00 0.00 177.57 177.54 3fsj h PRO 136 N 0.12 1.09 -0.69 1.57 0.11 -1.80 0.53 132.00 132.92 3fsj h PRO 136 Ca 0.16 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 3fsj h PRO 136 Cb 0.20 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.04 3fsj h PRO 136 CO -0.25 0.72 0.31 1.25 -0.21 0.00 0.00 178.00 179.82 3fsj h HIS 137 N 1.12 1.02 -0.49 0.65 -0.00 -1.65 -0.17 115.15 115.63 3fsj h HIS 137 Ca 0.36 -0.06 -0.07 0.00 -0.00 0.00 0.00 60.37 60.60 3fsj h HIS 137 Cb 0.02 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.09 3fsj h HIS 137 CO -0.02 0.78 0.03 0.00 -0.00 0.00 0.00 177.93 178.72 3fsj h ALA 138 N 1.14 1.13 -0.66 5.26 0.00 -0.54 -0.87 119.26 124.73 3fsj h ALA 138 Ca 0.23 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3fsj h ALA 138 Cb 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3fsj h ALA 138 CO -0.03 0.56 0.10 1.98 0.00 0.00 0.00 179.25 181.87 3fsj h MET 139 N 0.75 1.10 -0.41 0.00 -1.53 -0.46 -0.90 114.93 113.47 3fsj h MET 139 Ca 0.15 -0.30 0.02 0.00 -3.44 0.00 0.00 59.70 56.14 3fsj h MET 139 Cb 0.41 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.31 3fsj h MET 139 CO 0.01 1.01 0.23 1.03 0.14 0.00 0.00 176.91 179.33 3fsj h SER 140 N 1.02 0.35 -0.75 1.39 0.87 -0.52 -0.38 113.55 115.53 3fsj h SER 140 Ca 0.20 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.81 3fsj h SER 140 Cb 0.45 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.30 3fsj h SER 140 CO 0.01 0.25 0.47 0.03 -0.53 0.00 0.00 176.83 177.06 3fsj h ARG 141 N 0.46 0.87 -0.27 2.24 3.08 -0.88 -1.72 114.38 118.16 3fsj h ARG 141 Ca 0.17 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3fsj h ARG 141 Cb 0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3fsj h ARG 141 CO -0.10 0.58 0.13 0.00 -1.07 0.00 0.00 179.97 179.51 3fsj h ALA 142 N 1.33 0.35 -0.22 0.04 0.00 -0.63 0.10 119.26 120.22 3fsj h ALA 142 Ca 0.31 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3fsj h ALA 142 Cb 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3fsj h ALA 142 CO -0.12 -0.09 -0.04 0.82 0.00 0.00 0.00 179.25 179.81 3fsj h ILE 143 N 0.30 0.80 -0.14 0.00 2.04 -0.76 -1.25 117.51 118.51 3fsj h ILE 143 Ca 0.09 -0.01 -0.21 0.00 1.00 0.00 0.00 64.86 65.74 3fsj h ILE 143 Cb 0.11 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3fsj h ILE 143 CO -0.01 0.00 -0.75 0.45 0.00 0.00 0.00 178.15 177.84 3fsj h HIS 144 N 0.02 0.89 -0.82 1.37 3.86 -1.16 -2.38 115.15 116.93 3fsj h HIS 144 Ca 0.11 -0.39 -0.00 0.00 -1.16 0.00 0.00 60.37 58.93 3fsj h HIS 144 Cb 0.15 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 3fsj h HIS 144 CO -0.22 1.19 0.51 0.52 0.86 0.00 0.00 177.93 180.79 3fsj h MET 145 N 0.46 1.10 -0.13 2.45 2.86 -0.69 -0.39 114.93 120.59 3fsj h MET 145 Ca -0.04 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.41 3fsj h MET 145 Cb 1.35 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 3fsj h MET 145 CO 0.15 0.75 -0.37 0.00 1.06 0.00 0.00 176.91 178.50 3fsj h ALA 146 N 1.44 1.14 0.00 6.32 0.00 -1.09 -3.33 119.26 123.74 3fsj h ALA 146 Ca 0.30 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 3fsj h ALA 146 Cb -0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3fsj h ALA 146 CO -0.06 0.56 -1.60 0.43 0.00 0.00 0.00 179.25 178.58 3fsj n SER 147 N -4.06 0.70 -4.77 0.00 7.64 -0.83 -2.41 113.62 109.88 3fsj n SER 147 Ca -0.01 0.31 -0.37 0.00 1.01 0.00 0.00 58.87 59.80 3fsj n SER 147 Cb 0.45 0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.99 3fsj n SER 147 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3fsj s MET 148 N -2.88 4.14 0.31 1.43 -1.94 -0.22 -4.73 119.30 115.42 3fsj s MET 148 Ca -0.04 1.67 -0.29 0.00 -1.71 0.00 0.00 55.69 55.32 3fsj s MET 148 Cb 0.09 -2.64 -0.10 0.00 2.01 0.00 0.00 34.83 34.18 3fsj s MET 148 CO 0.82 -0.20 1.41 0.00 -0.01 0.00 0.00 175.02 177.04 3fsj s ALA 149 N -1.52 3.57 -0.05 3.03 0.00 -1.26 -2.26 121.76 123.27 3fsj s ALA 149 Ca 0.57 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.60 3fsj s ALA 149 Cb -0.26 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 3fsj s ALA 149 CO 0.33 -0.79 1.10 -1.25 0.00 0.00 0.00 175.76 175.15 3fsj s PRO 150 N -1.32 4.42 0.83 0.00 0.04 -1.17 -5.00 135.00 132.79 3fsj s PRO 150 Ca 0.54 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 3fsj s PRO 150 Cb -0.42 -3.51 0.10 0.00 0.04 0.00 0.00 34.50 30.71 3fsj s PRO 150 CO 0.52 -0.31 1.17 -0.65 0.04 0.00 0.00 177.00 177.77 3fsj s GLN 151 N 1.79 1.53 0.00 4.56 -0.21 -0.96 -4.97 119.66 121.40 3fsj s GLN 151 Ca 0.53 1.61 0.00 0.00 0.02 0.00 0.00 55.36 57.52 3fsj s GLN 151 Cb -0.22 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 32.01 3fsj s GLN 151 CO 0.23 -2.26 0.00 0.41 -2.12 0.00 0.00 175.29 171.54 3fsj n GLY 152 N 0.17 0.25 3.78 3.09 0.00 -1.01 -4.16 105.19 107.31 3fsj n GLY 152 Ca 0.12 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 3fsj n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fsj s PRO 153 N -2.00 3.68 0.16 1.61 0.04 -0.86 -3.44 135.00 134.19 3fsj s PRO 153 Ca 0.00 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.57 3fsj s PRO 153 Cb 0.00 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 3fsj s PRO 153 CO 0.00 -0.56 0.01 0.14 0.04 0.00 0.00 177.00 176.63 3fsj s VAL 154 N -1.82 0.57 -0.03 -0.36 -7.23 -0.14 -0.35 120.40 111.05 3fsj s VAL 154 Ca 0.68 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.89 3fsj s VAL 154 Cb -0.21 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.67 3fsj s VAL 154 CO 0.25 -0.50 -0.02 -0.47 -0.31 0.00 0.00 175.10 174.05 3fsj s TYR 155 N -3.73 0.40 -0.08 2.82 5.04 -0.24 -1.01 117.35 120.55 3fsj s TYR 155 Ca 0.23 -0.05 -0.01 0.00 -2.44 0.00 0.00 57.07 54.80 3fsj s TYR 155 Cb 0.06 -0.42 0.03 0.00 0.35 0.00 0.00 41.96 41.98 3fsj s TYR 155 CO 0.03 -0.11 -0.03 -1.17 -1.34 0.00 0.00 175.55 172.92 3fsj s LEU 156 N 0.76 0.92 -0.20 6.97 2.96 0.14 -1.53 118.68 128.70 3fsj s LEU 156 Ca -0.08 -0.16 -0.09 0.00 -0.22 0.00 0.00 54.13 53.58 3fsj s LEU 156 Cb -0.11 -0.57 -0.05 0.00 0.50 0.00 0.00 46.19 45.96 3fsj s LEU 156 CO -0.01 -0.14 0.10 -0.55 -1.32 0.00 0.00 176.35 174.43 3fsj s SER 157 N 1.67 5.90 -0.16 3.68 0.15 -0.43 -1.08 113.70 123.43 3fsj s SER 157 Ca 0.01 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.80 3fsj s SER 157 Cb -0.13 -2.03 0.04 0.00 -1.71 0.00 0.00 66.02 62.20 3fsj s SER 157 CO -0.05 0.16 -0.04 -0.69 1.20 0.00 0.00 173.24 173.83 3fsj s VAL 158 N 0.45 1.00 0.25 4.45 1.01 -0.61 -4.06 120.40 122.89 3fsj s VAL 158 Ca 0.06 -0.57 -0.31 0.00 0.00 0.00 0.00 61.98 61.15 3fsj s VAL 158 Cb -0.12 -1.21 -0.13 0.00 0.00 0.00 0.00 36.38 34.91 3fsj s VAL 158 CO -0.00 0.10 1.37 -2.65 0.00 0.00 0.00 175.10 173.92 3fsj n PRO 159 N 4.91 1.97 0.27 2.72 -0.02 -1.26 -0.94 135.00 142.65 3fsj n PRO 159 Ca -0.11 0.70 0.15 0.00 -2.02 0.00 0.00 63.50 62.22 3fsj n PRO 159 Cb 0.48 -2.33 0.75 0.00 -0.02 0.00 0.00 33.50 32.38 3fsj n PRO 159 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 3fsj h TYR 160 N 3.92 0.00 0.00 6.00 -0.00 -1.28 -1.61 116.97 124.00 3fsj h TYR 160 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 3fsj h TYR 160 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.01 3fsj h TYR 160 CO 0.55 0.08 0.00 -0.40 -0.00 0.00 0.00 178.16 178.39 3fsj n ASP 161 N -3.32 0.00 0.07 0.10 5.75 -1.26 -3.69 116.55 114.20 3fsj n ASP 161 Ca -0.01 0.31 -0.03 0.00 -0.01 0.00 0.00 54.79 55.05 3fsj n ASP 161 Cb 0.27 -0.43 0.20 0.00 -1.03 0.00 0.00 41.12 40.12 3fsj n ASP 161 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3fsj h ASP 162 N 0.00 0.33 -0.57 -1.12 3.32 -1.66 -3.33 116.42 113.39 3fsj h ASP 162 Ca 0.00 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3fsj h ASP 162 Cb 0.36 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3fsj h ASP 162 CO 0.00 0.70 0.31 -0.50 -1.72 0.00 0.00 179.24 178.03 3fsj h TRP 163 N 0.26 0.81 -0.00 4.55 4.06 -1.77 -2.34 115.95 121.52 3fsj h TRP 163 Ca 0.02 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3fsj h TRP 163 Cb 0.83 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.73 3fsj h TRP 163 CO 0.02 0.58 -0.17 -0.25 -3.56 0.00 0.00 178.44 175.06 3fsj n ASP 164 N -4.37 0.21 -4.79 -3.49 8.00 -1.25 -1.08 116.55 109.77 3fsj n ASP 164 Ca 0.05 0.13 -0.31 0.00 0.71 0.00 0.00 54.79 55.37 3fsj n ASP 164 Cb 0.11 -0.21 0.06 0.00 -0.02 0.00 0.00 41.12 41.06 3fsj n ASP 164 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3fsj s LYS 165 N -2.93 2.70 0.20 -1.24 -0.14 -0.88 -4.76 119.74 112.70 3fsj s LYS 165 Ca 0.15 1.09 -0.31 0.00 -1.36 0.00 0.00 55.97 55.55 3fsj s LYS 165 Cb 0.19 -1.96 -0.10 0.00 -1.68 0.00 0.00 37.83 34.29 3fsj s LYS 165 CO 0.57 -1.29 1.46 -0.51 -0.76 0.00 0.00 175.35 174.82 3fsj s ASP 166 N -3.46 6.68 0.54 2.83 1.01 -1.26 -0.73 116.67 122.28 3fsj s ASP 166 Ca 0.60 2.59 -0.15 0.00 0.71 0.00 0.00 52.55 56.30 3fsj s ASP 166 Cb -0.16 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.09 3fsj s ASP 166 CO 0.53 -0.71 1.00 0.00 0.21 0.00 0.00 175.17 176.19 3fsj s ALA 167 N 0.46 3.07 -0.03 5.23 0.00 0.11 -4.55 121.76 126.05 3fsj s ALA 167 Ca 0.63 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 3fsj s ALA 167 Cb -0.41 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 3fsj s ALA 167 CO 0.38 -0.36 1.41 0.34 0.00 0.00 0.00 175.76 177.53 3fsj s ASP 168 N -3.36 6.85 0.58 0.00 2.15 -1.26 -4.75 116.67 116.88 3fsj s ASP 168 Ca 0.58 2.07 0.28 0.00 0.43 0.00 0.00 52.55 55.90 3fsj s ASP 168 Cb -0.10 -2.55 1.60 0.00 -0.30 0.00 0.00 42.92 41.56 3fsj s ASP 168 CO 0.37 -0.74 2.09 -0.65 -0.17 0.00 0.00 175.17 176.07 3fsj h PRO 169 N 8.05 0.00 0.00 4.34 0.11 -1.95 -1.07 132.00 141.48 3fsj h PRO 169 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3fsj h PRO 169 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fsj h PRO 169 CO 0.91 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.74 3fsj n GLN 170 N -3.91 0.16 0.19 1.05 1.13 -1.26 -2.83 117.38 111.91 3fsj n GLN 170 Ca 0.02 0.16 0.14 0.00 -1.94 0.00 0.00 57.00 55.38 3fsj n GLN 170 Cb 0.35 -1.50 0.67 0.00 0.11 0.00 0.00 30.24 29.86 3fsj n GLN 170 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3fsj h SER 171 N 0.00 0.00 -0.08 1.08 0.02 -1.59 -2.87 113.55 110.11 3fsj h SER 171 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3fsj h SER 171 Cb 0.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3fsj h SER 171 CO 0.00 0.00 0.07 1.12 -1.14 0.00 0.00 176.83 176.88 3fsj h HIS 172 N 0.00 0.00 0.00 3.45 2.07 -1.75 -0.99 115.15 117.93 3fsj h HIS 172 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3fsj h HIS 172 Cb 0.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.14 3fsj h HIS 172 CO 0.00 0.00 0.00 0.45 -3.07 0.00 0.00 177.93 175.31 3fsj h HIS 173 N 0.00 0.00 0.00 6.12 3.86 -1.80 -2.25 115.15 121.08 3fsj h HIS 173 Ca 0.04 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.09 3fsj h HIS 173 Cb 0.18 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 3fsj h HIS 173 CO 0.00 0.00 -0.73 -0.07 0.86 0.00 0.00 177.93 177.99 3fsj h LEU 174 N 0.00 0.00 -0.43 2.43 3.38 -1.41 -3.40 115.31 115.89 3fsj h LEU 174 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3fsj h LEU 174 Cb 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3fsj h LEU 174 CO 0.00 0.73 0.15 -0.26 0.09 0.00 0.00 178.44 179.15 3fsj h PHE 175 N 0.00 0.27 -0.42 1.13 0.04 -1.54 -3.01 116.94 113.40 3fsj h PHE 175 Ca -0.01 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3fsj h PHE 175 Cb 1.30 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.40 3fsj h PHE 175 CO 0.00 0.10 0.00 -0.25 -0.60 0.00 0.00 178.31 177.56 3fsj n ASP 176 N -5.01 3.77 -4.68 2.17 8.00 -1.26 -4.33 116.55 115.22 3fsj n ASP 176 Ca 0.03 -2.42 -0.45 0.00 0.71 0.00 0.00 54.79 52.66 3fsj n ASP 176 Cb 0.16 -0.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 3fsj n ASP 176 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3fsj n ARG 177 N 0.44 2.25 -4.18 -1.24 1.74 -1.14 -4.97 116.66 109.55 3fsj n ARG 177 Ca 0.19 0.81 -0.34 0.00 -0.77 0.00 0.00 57.85 57.73 3fsj n ARG 177 Cb 0.70 -2.59 -0.13 0.00 -1.02 0.00 0.00 32.46 29.42 3fsj n ARG 177 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3fsj s HIS 178 N 0.97 2.99 -0.15 -1.55 5.65 -1.26 -5.06 115.29 116.88 3fsj s HIS 178 Ca 0.78 -0.56 0.01 0.00 0.25 0.00 0.00 55.06 55.54 3fsj s HIS 178 Cb -0.65 -2.04 0.02 0.00 -1.18 0.00 0.00 32.58 28.73 3fsj s HIS 178 CO 0.37 -0.27 -0.16 0.08 -0.65 0.00 0.00 174.74 174.12 3fsj s VAL 179 N 0.91 1.69 -0.08 0.89 1.01 -1.26 -5.12 120.40 118.44 3fsj s VAL 179 Ca -0.00 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3fsj s VAL 179 Cb -0.15 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 3fsj s VAL 179 CO 0.01 0.48 -0.14 -0.55 0.00 0.00 0.00 175.10 174.90 3fsj s SER 180 N 1.41 4.00 -0.18 3.32 0.15 -1.26 -4.95 113.70 116.20 3fsj s SER 180 Ca 0.04 -0.25 0.13 0.00 0.70 0.00 0.00 55.95 56.58 3fsj s SER 180 Cb -0.13 -1.13 0.40 0.00 -1.71 0.00 0.00 66.02 63.45 3fsj s SER 180 CO -0.11 0.28 1.20 -1.54 1.20 0.00 0.00 173.24 174.27 3fsj n SER 181 N 2.77 1.68 -4.26 5.45 3.41 -1.26 -4.96 113.62 116.45 3fsj n SER 181 Ca -0.18 -3.58 -0.43 0.00 -0.26 0.00 0.00 58.87 54.42 3fsj n SER 181 Cb 0.52 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3fsj n SER 181 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3fsj n SER 182 N -0.97 4.82 -4.38 4.04 7.64 -1.26 -4.40 113.62 119.11 3fsj n SER 182 Ca 0.17 -2.95 -0.24 0.00 1.01 0.00 0.00 58.87 56.86 3fsj n SER 182 Cb 0.73 -1.64 -0.11 0.00 -1.01 0.00 0.00 64.21 62.18 3fsj n SER 182 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3fsj s VAL 183 N 2.70 2.11 0.10 0.44 -7.23 -1.26 -4.98 120.40 112.28 3fsj s VAL 183 Ca 0.47 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.60 3fsj s VAL 183 Cb 0.05 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 3fsj s VAL 183 CO 0.01 -0.24 0.07 0.00 -0.31 0.00 0.00 175.10 174.64 3fsj s ARG 184 N -2.81 0.83 0.32 4.82 1.04 -1.26 -1.51 118.95 120.38 3fsj s ARG 184 Ca 0.19 -1.25 -0.28 0.00 -1.04 0.00 0.00 55.73 53.35 3fsj s ARG 184 Cb -0.07 0.26 -0.13 0.00 -2.04 0.00 0.00 34.95 32.98 3fsj s ARG 184 CO 0.09 -0.23 1.19 -0.11 -0.04 0.00 0.00 175.30 176.20 3fsj n LEU 185 N -0.03 2.87 -4.55 -1.89 7.94 -1.26 -4.92 117.00 115.16 3fsj n LEU 185 Ca -0.10 1.19 -0.37 0.00 -1.11 0.00 0.00 56.01 55.62 3fsj n LEU 185 Cb 0.62 -1.41 0.07 0.00 0.53 0.00 0.00 43.42 43.23 3fsj n LEU 185 CO 0.28 -0.82 0.32 -0.46 -1.11 0.00 0.00 177.39 175.60 3fsj n ASN 186 N 1.01 -0.18 -0.19 1.96 0.23 -1.26 -4.59 115.26 112.24 3fsj n ASN 186 Ca 0.07 0.69 0.00 0.00 -0.53 0.00 0.00 54.58 54.81 3fsj n ASN 186 Cb 0.34 -1.31 0.10 0.00 -2.08 0.00 0.00 39.78 36.83 3fsj n ASN 186 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3fsj h ASP 187 N -0.02 -0.14 0.04 0.53 3.32 -1.98 0.83 116.42 119.00 3fsj h ASP 187 Ca -0.47 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3fsj h ASP 187 Cb 1.36 0.21 -0.00 0.00 0.22 0.00 0.00 39.33 41.11 3fsj h ASP 187 CO 0.47 -0.05 -0.03 -0.61 -1.72 0.00 0.00 179.24 177.29 3fsj h GLN 188 N 0.18 -0.07 0.00 3.56 4.15 -2.00 0.16 115.11 121.09 3fsj h GLN 188 Ca 0.31 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.59 3fsj h GLN 188 Cb 0.48 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 3fsj h GLN 188 CO -0.45 -0.05 -0.70 -0.44 -1.93 0.00 0.00 178.83 175.26 3fsj h ASP 189 N -0.07 0.00 -0.65 -0.69 3.32 -1.85 -2.50 116.42 113.99 3fsj h ASP 189 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3fsj h ASP 189 Cb 0.07 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3fsj h ASP 189 CO -0.00 0.70 0.11 0.25 -1.72 0.00 0.00 179.24 178.57 3fsj h LEU 190 N 0.00 1.03 -0.94 1.55 5.85 -0.65 -1.51 115.31 120.63 3fsj h LEU 190 Ca -0.01 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3fsj h LEU 190 Cb 1.29 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3fsj h LEU 190 CO 0.09 1.03 0.56 0.44 -0.34 0.00 0.00 178.44 180.22 3fsj h ASP 191 N 0.99 1.13 -0.30 1.25 3.32 -0.75 0.26 116.42 122.32 3fsj h ASP 191 Ca 0.20 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3fsj h ASP 191 Cb 0.44 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3fsj h ASP 191 CO 0.01 0.87 0.18 0.40 -1.72 0.00 0.00 179.24 178.99 3fsj h ILE 192 N 1.30 1.10 -0.28 0.35 2.04 -1.16 -1.07 117.51 119.80 3fsj h ILE 192 Ca 0.34 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3fsj h ILE 192 Cb -0.05 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3fsj h ILE 192 CO -0.06 0.10 0.18 0.25 0.00 0.00 0.00 178.15 178.62 3fsj h LEU 193 N 0.39 0.33 -0.80 1.44 5.85 -0.89 -1.56 115.31 120.07 3fsj h LEU 193 Ca 0.11 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3fsj h LEU 193 Cb 0.00 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3fsj h LEU 193 CO -0.02 0.25 0.52 0.58 -0.34 0.00 0.00 178.44 179.43 3fsj h VAL 194 N 0.37 1.21 -0.58 1.05 2.07 -0.81 -1.36 116.25 118.19 3fsj h VAL 194 Ca 0.10 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 3fsj h VAL 194 Cb -0.02 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 3fsj h VAL 194 CO -0.02 0.20 0.16 0.11 0.02 0.00 0.00 177.57 178.05 3fsj h LYS 195 N 1.08 0.89 -0.71 1.57 1.57 -0.98 0.45 116.57 120.44 3fsj h LYS 195 Ca 0.29 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3fsj h LYS 195 Cb -0.11 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 3fsj h LYS 195 CO -0.06 0.78 0.16 0.00 -0.57 0.00 0.00 179.45 179.76 3fsj h ALA 196 N 1.32 0.95 -0.28 3.86 0.00 -0.56 -0.95 119.26 123.59 3fsj h ALA 196 Ca 0.19 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3fsj h ALA 196 Cb 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fsj h ALA 196 CO -0.01 0.67 -0.04 -0.07 0.00 0.00 0.00 179.25 179.80 3fsj h LEU 197 N 1.08 0.52 -1.60 0.00 3.38 -0.91 -2.48 115.31 115.30 3fsj h LEU 197 Ca 0.22 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3fsj h LEU 197 Cb 0.39 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3fsj h LEU 197 CO 0.00 0.75 0.30 0.78 0.09 0.00 0.00 178.44 180.36 3fsj h ASN 198 N 0.29 0.45 0.67 -0.43 2.35 -0.77 -2.81 115.58 115.33 3fsj h ASN 198 Ca 0.07 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3fsj h ASN 198 Cb 0.51 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3fsj h ASN 198 CO 0.02 0.32 -0.49 -1.20 -1.65 0.00 0.00 177.43 174.44 3fsj n SER 199 N -4.48 0.51 -4.77 5.81 7.64 -0.37 -4.91 113.62 113.05 3fsj n SER 199 Ca 0.04 -0.05 -0.41 0.00 1.01 0.00 0.00 58.87 59.46 3fsj n SER 199 Cb 0.12 0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.45 3fsj n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fsj s ALA 200 N -3.05 3.58 -0.08 -0.43 0.00 -0.94 -4.93 121.76 115.91 3fsj s ALA 200 Ca 0.10 1.43 0.14 0.00 0.00 0.00 0.00 51.96 53.64 3fsj s ALA 200 Cb 0.16 -3.57 -0.15 0.00 0.00 0.00 0.00 23.12 19.57 3fsj s ALA 200 CO 0.69 -0.86 0.88 0.66 0.00 0.00 0.00 175.76 177.13 3fsj h SER 201 N 3.73 0.00 -1.07 0.00 4.64 -1.91 -3.42 113.55 115.52 3fsj h SER 201 Ca -0.49 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.45 3fsj h SER 201 Cb 1.23 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.04 3fsj h SER 201 CO 0.69 0.73 -0.84 -3.20 -0.87 0.00 0.00 176.83 173.35 3fsj n ASN 202 N -3.01 -0.86 -4.77 4.97 5.15 -1.26 -5.03 115.26 110.44 3fsj n ASN 202 Ca -0.10 -3.21 -0.34 0.00 -0.60 0.00 0.00 54.58 50.34 3fsj n ASN 202 Cb 0.90 0.55 0.03 0.00 -0.53 0.00 0.00 39.78 40.73 3fsj n ASN 202 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3fsj s PRO 203 N -0.87 2.98 0.09 1.20 0.04 -1.26 -2.99 135.00 134.19 3fsj s PRO 203 Ca 0.32 1.50 0.05 0.00 0.04 0.00 0.00 61.00 62.91 3fsj s PRO 203 Cb 0.28 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 3fsj s PRO 203 CO -0.10 -1.13 -0.14 0.00 0.04 0.00 0.00 177.00 175.67 3fsj s ALA 204 N -2.10 1.26 -0.05 8.56 0.00 -0.50 -4.21 121.76 124.72 3fsj s ALA 204 Ca 0.70 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 51.61 3fsj s ALA 204 Cb -0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3fsj s ALA 204 CO 0.36 0.12 -0.24 0.42 0.00 0.00 0.00 175.76 176.42 3fsj s ILE 205 N -1.66 1.99 -0.10 0.00 1.01 -0.28 -0.99 121.20 121.18 3fsj s ILE 205 Ca 0.02 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.66 3fsj s ILE 205 Cb -0.08 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.72 3fsj s ILE 205 CO 0.02 0.55 -0.19 -0.69 0.00 0.00 0.00 174.94 174.64 3fsj s VAL 206 N -0.17 1.68 -0.04 2.92 1.01 0.00 -0.66 120.40 125.14 3fsj s VAL 206 Ca -0.03 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.24 3fsj s VAL 206 Cb -0.13 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3fsj s VAL 206 CO 0.03 0.48 -0.24 -0.76 0.00 0.00 0.00 175.10 174.61 3fsj s LEU 207 N 0.64 2.18 0.00 3.92 1.43 0.11 -0.61 118.68 126.35 3fsj s LEU 207 Ca -0.13 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3fsj s LEU 207 Cb -0.16 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.67 3fsj s LEU 207 CO 0.04 0.30 0.01 0.61 0.23 0.00 0.00 176.35 177.54 3fsj n GLY 208 N 2.60 3.46 0.22 -3.19 0.00 -0.17 -0.83 105.19 107.28 3fsj n GLY 208 Ca -0.17 -2.19 0.09 0.00 0.00 0.00 0.00 46.02 43.75 3fsj n GLY 208 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fsj h PRO 209 N 0.00 0.00 0.00 1.61 0.13 -1.75 -2.41 132.00 129.58 3fsj h PRO 209 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3fsj h PRO 209 Cb 0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.19 3fsj h PRO 209 CO 0.03 0.25 0.00 -0.44 -0.23 0.00 0.00 178.00 177.61 3fsj h ASP 210 N 0.00 0.00 0.07 1.44 3.32 -1.70 -0.93 116.42 118.63 3fsj h ASP 210 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3fsj h ASP 210 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3fsj h ASP 210 CO 0.03 0.00 -0.04 0.58 -1.72 0.00 0.00 179.24 178.10 3fsj h VAL 211 N 0.00 1.09 -0.58 -1.35 2.07 -1.60 -1.72 116.25 114.15 3fsj h VAL 211 Ca 0.00 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 3fsj h VAL 211 Cb 0.39 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3fsj h VAL 211 CO 0.00 0.14 0.03 -0.78 0.02 0.00 0.00 177.57 176.98 3fsj h ASP 212 N -0.36 0.95 -0.80 0.57 3.58 -1.51 -0.58 116.42 118.27 3fsj h ASP 212 Ca -0.01 -0.25 0.03 0.00 0.42 0.00 0.00 57.03 57.22 3fsj h ASP 212 Cb 0.31 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 3fsj h ASP 212 CO 0.02 0.99 0.53 0.00 -2.88 0.00 0.00 179.24 177.90 3fsj h ALA 213 N 1.11 1.49 -0.00 -0.78 0.00 -1.19 -1.61 119.26 118.27 3fsj h ALA 213 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fsj h ALA 213 Cb 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3fsj h ALA 213 CO 0.02 0.45 -0.07 0.00 0.00 0.00 0.00 179.25 179.65 3fsj n ALA 214 N -2.42 2.64 -3.67 0.00 0.00 -0.65 -4.88 120.51 111.53 3fsj n ALA 214 Ca 0.10 -0.20 -0.27 0.00 0.00 0.00 0.00 53.44 53.06 3fsj n ALA 214 Cb 0.09 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.15 3fsj n ALA 214 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3fsj n ASN 215 N -1.16 -5.01 -0.53 0.00 5.15 -0.61 -4.72 115.26 108.38 3fsj n ASN 215 Ca 0.14 -0.62 0.09 0.00 -0.60 0.00 0.00 54.58 53.59 3fsj n ASN 215 Cb 0.26 -4.01 0.34 0.00 -0.53 0.00 0.00 39.78 35.84 3fsj n ASN 215 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fsj n ALA 216 N -4.38 2.51 -0.03 5.20 0.00 -0.29 -4.51 120.51 119.02 3fsj n ALA 216 Ca 0.01 -0.51 -0.08 0.00 0.00 0.00 0.00 53.44 52.86 3fsj n ALA 216 Cb 0.54 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 3fsj n ALA 216 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3fsj h ASN 217 N 2.01 -0.48 -0.65 0.00 4.21 -1.80 -0.74 115.58 118.14 3fsj h ASN 217 Ca 0.00 0.10 -0.04 0.00 1.21 0.00 0.00 56.30 57.57 3fsj h ASN 217 Cb 0.45 0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.86 3fsj h ASN 217 CO 0.00 -0.19 0.26 0.00 -1.29 0.00 0.00 177.43 176.21 3fsj h ALA 218 N 0.97 1.18 -0.48 -0.83 0.00 -1.90 -0.69 119.26 117.52 3fsj h ALA 218 Ca 0.12 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3fsj h ALA 218 Cb 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3fsj h ALA 218 CO -0.29 0.59 -0.01 -0.44 0.00 0.00 0.00 179.25 179.11 3fsj h ASP 219 N 0.98 0.76 -0.05 0.00 3.32 -1.75 -1.75 116.42 117.93 3fsj h ASP 219 Ca 0.23 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 3fsj h ASP 219 Cb 0.21 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3fsj h ASP 219 CO -0.02 0.83 -0.30 0.00 -1.72 0.00 0.00 179.24 178.04 3fsj h VAL 221 N 0.44 0.98 -0.49 0.00 2.07 -0.83 0.11 116.25 118.53 3fsj h VAL 221 Ca 0.06 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3fsj h VAL 221 Cb 0.74 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3fsj h VAL 221 CO 0.06 0.01 0.29 -0.03 0.02 0.00 0.00 177.57 177.91 3fsj h MET 222 N 0.06 0.55 -0.34 1.57 -1.53 -1.05 -0.40 114.93 113.81 3fsj h MET 222 Ca 0.03 -0.03 0.03 0.00 -3.44 0.00 0.00 59.70 56.29 3fsj h MET 222 Cb 0.02 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 30.91 3fsj h MET 222 CO -0.04 0.36 0.15 1.25 0.14 0.00 0.00 176.91 178.78 3fsj h LEU 223 N 0.57 0.21 -0.81 3.39 5.85 -0.79 -0.24 115.31 123.49 3fsj h LEU 223 Ca 0.20 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 3fsj h LEU 223 Cb 0.04 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3fsj h LEU 223 CO -0.10 0.16 0.13 0.00 -0.34 0.00 0.00 178.44 178.29 3fsj h ALA 224 N 1.19 1.02 -0.41 1.25 0.00 -0.64 -1.20 119.26 120.46 3fsj h ALA 224 Ca 0.14 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3fsj h ALA 224 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3fsj h ALA 224 CO -0.11 0.63 0.01 0.93 0.00 0.00 0.00 179.25 180.70 3fsj h GLU 225 N 0.97 0.72 -0.41 0.00 5.08 -0.77 0.87 114.58 121.04 3fsj h GLU 225 Ca 0.20 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3fsj h GLU 225 Cb 0.38 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3fsj h GLU 225 CO 0.01 0.80 0.13 0.00 -1.00 0.00 0.00 179.01 178.95 3fsj h ARG 226 N 0.56 0.64 -0.00 2.33 3.08 -0.86 -2.72 114.38 117.41 3fsj h ARG 226 Ca 0.12 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3fsj h ARG 226 Cb 0.47 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3fsj h ARG 226 CO 0.02 0.63 -0.01 1.28 -1.07 0.00 0.00 179.97 180.82 3fsj n LEU 227 N -4.59 0.02 -3.84 3.04 4.77 -0.47 -0.37 117.00 115.57 3fsj n LEU 227 Ca -0.00 0.38 -0.27 0.00 -0.03 0.00 0.00 56.01 56.09 3fsj n LEU 227 Cb 0.18 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3fsj n LEU 227 CO 0.38 0.00 0.03 0.29 -1.33 0.00 0.00 177.39 176.76 3fsj n LYS 228 N -1.38 -5.21 -4.66 3.23 4.76 0.20 -4.85 118.16 110.25 3fsj n LYS 228 Ca 0.11 0.60 -0.34 0.00 -2.87 0.00 0.00 58.31 55.81 3fsj n LYS 228 Cb 0.29 -5.33 -0.11 0.00 -1.84 0.00 0.00 35.03 28.04 3fsj n LYS 228 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fsj s ALA 229 N -3.47 2.94 0.56 7.82 0.00 -0.58 -4.45 121.76 124.58 3fsj s ALA 229 Ca 0.38 -0.90 -0.20 0.00 0.00 0.00 0.00 51.96 51.24 3fsj s ALA 229 Cb -0.19 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 3fsj s ALA 229 CO 0.83 0.57 1.21 -1.25 0.00 0.00 0.00 175.76 177.12 3fsj s PRO 230 N -0.79 3.14 -0.12 0.00 0.04 -1.26 -4.81 135.00 131.19 3fsj s PRO 230 Ca 0.12 1.85 0.01 0.00 0.04 0.00 0.00 61.00 63.02 3fsj s PRO 230 Cb -0.11 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.41 3fsj s PRO 230 CO 0.01 -1.08 -0.15 0.08 0.04 0.00 0.00 177.00 175.90 3fsj s VAL 231 N -1.56 1.54 0.19 -0.36 1.01 0.06 -1.12 120.40 120.16 3fsj s VAL 231 Ca 0.74 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 62.15 3fsj s VAL 231 Cb -0.31 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3fsj s VAL 231 CO 0.34 0.45 -0.00 0.26 0.00 0.00 0.00 175.10 176.15 3fsj s TRP 232 N 1.15 2.82 -0.13 5.22 0.51 0.16 -0.07 118.94 128.60 3fsj s TRP 232 Ca -0.03 -0.15 -0.14 0.00 -2.12 0.00 0.00 56.10 53.66 3fsj s TRP 232 Cb -0.14 -1.35 -0.05 0.00 -0.81 0.00 0.00 33.47 31.12 3fsj s TRP 232 CO -0.05 0.53 0.32 0.08 -0.51 0.00 0.00 176.95 177.33 3fsj s VAL 233 N -1.81 5.27 0.68 4.03 1.01 -0.24 -0.71 120.40 128.63 3fsj s VAL 233 Ca 0.28 0.62 -0.17 0.00 0.00 0.00 0.00 61.98 62.71 3fsj s VAL 233 Cb -0.09 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3fsj s VAL 233 CO 0.19 0.41 1.17 0.00 0.00 0.00 0.00 175.10 176.87 3fsj n ALA 234 N 3.30 0.56 -1.03 5.51 0.00 -0.01 -1.27 120.51 127.56 3fsj n ALA 234 Ca -0.12 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 52.92 3fsj n ALA 234 Cb 0.52 -2.24 0.13 0.00 0.00 0.00 0.00 19.45 17.85 3fsj n ALA 234 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fsj s PRO 235 N -3.40 1.64 -1.46 0.00 0.04 -1.26 -3.55 135.00 127.00 3fsj s PRO 235 Ca 0.79 1.27 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 3fsj s PRO 235 Cb -0.36 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.38 3fsj s PRO 235 CO 0.45 -2.11 0.88 0.43 0.04 0.00 0.00 177.00 176.69 3fsj n SER 236 N -3.85 -6.01 -4.64 6.66 7.64 -1.26 -4.54 113.62 107.62 3fsj n SER 236 Ca 0.10 -0.44 -0.42 0.00 1.01 0.00 0.00 58.87 59.11 3fsj n SER 236 Cb 0.53 -4.80 -0.03 0.00 -1.01 0.00 0.00 64.21 58.90 3fsj n SER 236 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fsj n ALA 237 N -4.26 1.65 0.24 -0.43 0.00 -1.23 -4.90 120.51 111.57 3fsj n ALA 237 Ca -0.04 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3fsj n ALA 237 Cb 0.58 -2.76 0.41 0.00 0.00 0.00 0.00 19.45 17.69 3fsj n ALA 237 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3fsj h PRO 238 N 11.96 0.00 -4.28 0.00 0.11 -1.88 -3.40 132.00 134.51 3fsj h PRO 238 Ca -0.47 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 3fsj h PRO 238 Cb 1.24 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 3fsj h PRO 238 CO 0.95 0.07 -0.46 1.03 -0.21 0.00 0.00 178.00 179.38 3fsj s ARG 239 N -3.44 1.31 -0.29 1.05 0.52 -1.26 -1.51 118.95 115.33 3fsj s ARG 239 Ca 0.03 -1.51 -0.07 0.00 -0.52 0.00 0.00 55.73 53.67 3fsj s ARG 239 Cb 0.08 0.34 0.00 0.00 0.52 0.00 0.00 34.95 35.88 3fsj s ARG 239 CO 0.62 -0.47 0.08 0.00 0.02 0.00 0.00 175.30 175.54 3fsj n PRO 241 N 4.87 2.40 -3.59 0.00 -0.04 -1.26 -4.48 135.00 132.91 3fsj n PRO 241 Ca -0.15 -2.16 -0.16 0.00 -0.04 0.00 0.00 63.50 61.00 3fsj n PRO 241 Cb 0.48 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 3fsj n PRO 241 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3fsj s PHE 242 N -1.29 -0.69 0.11 0.54 5.36 -1.26 -4.54 117.98 116.20 3fsj s PHE 242 Ca 0.40 1.46 -0.31 0.00 -0.96 0.00 0.00 56.93 57.53 3fsj s PHE 242 Cb 0.22 0.32 -0.10 0.00 -0.34 0.00 0.00 43.02 43.12 3fsj s PHE 242 CO 0.29 -0.48 1.87 -2.14 -1.46 0.00 0.00 175.22 173.29 3fsj s PRO 243 N -0.42 4.14 0.00 10.12 0.01 -1.26 -4.87 135.00 142.71 3fsj s PRO 243 Ca -0.06 2.61 0.28 0.00 0.01 0.00 0.00 61.00 63.84 3fsj s PRO 243 Cb -0.03 -3.72 1.42 0.00 0.01 0.00 0.00 34.50 32.19 3fsj s PRO 243 CO 0.05 -0.87 1.95 0.25 0.01 0.00 0.00 177.00 178.39 3fsj n THR 244 N 4.92 0.10 0.01 0.99 -2.24 -0.83 -2.44 114.28 114.79 3fsj n THR 244 Ca 0.18 0.02 0.03 0.00 -2.27 0.00 0.00 64.05 62.02 3fsj n THR 244 Cb 0.39 -0.57 0.07 0.00 -2.10 0.00 0.00 70.33 68.12 3fsj n THR 244 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fsj n ARG 245 N -1.25 1.99 -1.88 -0.78 5.12 -1.26 -4.91 116.66 113.70 3fsj n ARG 245 Ca 0.14 -1.54 -0.40 0.00 -1.93 0.00 0.00 57.85 54.12 3fsj n ARG 245 Cb 0.20 -1.15 0.01 0.00 -1.16 0.00 0.00 32.46 30.36 3fsj n ARG 245 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3fsj s HIS 246 N -0.86 2.60 0.53 -1.55 2.46 -1.02 -4.89 115.29 112.55 3fsj s HIS 246 Ca 0.12 1.29 0.26 0.00 0.47 0.00 0.00 55.06 57.20 3fsj s HIS 246 Cb 0.07 -3.87 1.41 0.00 -0.13 0.00 0.00 32.58 30.06 3fsj s HIS 246 CO 0.09 -2.69 1.99 -1.35 -2.47 0.00 0.00 174.74 170.31 3fsj h PRO 247 N 2.60 0.00 0.00 2.88 0.11 -1.91 -1.36 132.00 134.32 3fsj h PRO 247 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3fsj h PRO 247 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3fsj h PRO 247 CO 0.62 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 3fsj s PHE 249 N -3.26 3.22 0.00 0.00 5.36 -0.51 -0.76 117.98 122.03 3fsj s PHE 249 Ca 0.07 1.11 0.00 0.00 -0.96 0.00 0.00 56.93 57.15 3fsj s PHE 249 Cb 0.08 -3.66 0.00 0.00 -0.34 0.00 0.00 43.02 39.10 3fsj s PHE 249 CO 0.61 -2.16 0.55 0.54 -1.46 0.00 0.00 175.22 173.30 3fsj n ARG 250 N 2.96 -0.21 0.00 10.12 5.12 0.90 -4.44 116.66 131.11 3fsj n ARG 250 Ca 0.08 -0.63 0.00 0.00 -1.93 0.00 0.00 57.85 55.37 3fsj n ARG 250 Cb 0.42 -0.95 0.00 0.00 -1.16 0.00 0.00 32.46 30.77 3fsj n ARG 250 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fsj n GLY 251 N -0.09 -1.82 3.70 -0.13 0.00 -1.25 -4.91 105.19 100.69 3fsj n GLY 251 Ca 0.00 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3fsj n GLY 251 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fsj s LEU 252 N 0.00 4.31 0.29 0.99 2.96 -1.26 -1.08 118.68 124.88 3fsj s LEU 252 Ca 0.00 1.55 -0.29 0.00 -0.22 0.00 0.00 54.13 55.17 3fsj s LEU 252 Cb 0.00 -3.52 -0.10 0.00 0.50 0.00 0.00 46.19 43.07 3fsj s LEU 252 CO 0.00 -0.34 1.23 -0.04 -1.32 0.00 0.00 176.35 175.88 3fsj s MET 253 N 1.46 4.47 0.41 1.98 -1.94 -0.40 -4.92 119.30 120.36 3fsj s MET 253 Ca 0.49 2.03 -0.26 0.00 -1.71 0.00 0.00 55.69 56.24 3fsj s MET 253 Cb -0.19 -3.14 -0.09 0.00 2.01 0.00 0.00 34.83 33.42 3fsj s MET 253 CO 0.22 -0.05 1.37 -1.25 -0.01 0.00 0.00 175.02 175.30 3fsj s PRO 254 N -1.36 3.95 -0.80 2.03 0.04 -1.26 -4.24 135.00 133.36 3fsj s PRO 254 Ca 0.49 2.31 -0.06 0.00 0.04 0.00 0.00 61.00 63.78 3fsj s PRO 254 Cb -0.36 -2.80 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 3fsj s PRO 254 CO 0.46 -0.57 2.96 0.00 0.04 0.00 0.00 177.00 179.89 3fsj n ALA 255 N 0.16 6.78 -2.82 8.56 0.00 -1.26 -4.56 120.51 127.36 3fsj n ALA 255 Ca 0.03 -3.08 -0.14 0.00 0.00 0.00 0.00 53.44 50.25 3fsj n ALA 255 Cb 0.42 -2.62 -0.13 0.00 0.00 0.00 0.00 19.45 17.12 3fsj n ALA 255 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3fsj s GLY 256 N 1.21 0.37 0.08 0.00 0.00 -1.26 -0.65 107.32 107.06 3fsj s GLY 256 Ca 0.62 -0.49 -0.31 0.00 0.00 0.00 0.00 44.72 44.54 3fsj s GLY 256 CO -0.10 -0.50 1.64 -2.22 0.00 0.00 0.00 173.10 171.92 3fsj h ILE 257 N 4.76 0.40 -0.59 0.90 2.04 -1.83 -1.89 117.51 121.30 3fsj h ILE 257 Ca -0.32 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 3fsj h ILE 257 Cb 1.20 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 3fsj h ILE 257 CO 0.45 0.00 0.23 0.00 0.00 0.00 0.00 178.15 178.83 3fsj h ALA 258 N -0.34 0.77 -0.64 1.87 0.00 -1.27 -2.19 119.26 117.45 3fsj h ALA 258 Ca -0.07 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.71 3fsj h ALA 258 Cb 0.62 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3fsj h ALA 258 CO 0.10 0.39 0.38 0.00 0.00 0.00 0.00 179.25 180.12 3fsj h ALA 259 N 1.08 0.84 -0.19 0.00 0.00 -1.80 -1.42 119.26 117.77 3fsj h ALA 259 Ca 0.20 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3fsj h ALA 259 Cb 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3fsj h ALA 259 CO -0.02 0.11 -0.36 0.82 0.00 0.00 0.00 179.25 179.81 3fsj h ILE 260 N 0.74 1.33 -0.40 0.00 2.04 -1.17 -1.56 117.51 118.50 3fsj h ILE 260 Ca 0.27 -1.59 -0.04 0.00 1.00 0.00 0.00 64.86 64.50 3fsj h ILE 260 Cb 0.07 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3fsj h ILE 260 CO -0.13 0.49 0.07 0.77 0.00 0.00 0.00 178.15 179.35 3fsj h SER 261 N 0.25 0.56 -0.34 1.72 4.64 -1.27 -1.25 113.55 117.85 3fsj h SER 261 Ca 0.01 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 3fsj h SER 261 Cb 0.95 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3fsj h SER 261 CO 0.08 0.58 0.08 -0.61 -0.87 0.00 0.00 176.83 176.09 3fsj h GLN 262 N 0.58 0.55 -0.77 4.77 5.75 -1.18 -1.63 115.11 123.19 3fsj h GLN 262 Ca 0.13 -0.13 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 3fsj h GLN 262 Cb 0.27 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 3fsj h GLN 262 CO 0.00 0.60 0.51 1.25 -2.65 0.00 0.00 178.83 178.54 3fsj h LEU 263 N 0.40 0.84 -0.37 -2.39 5.85 -0.84 -2.55 115.31 116.24 3fsj h LEU 263 Ca 0.11 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3fsj h LEU 263 Cb 0.30 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3fsj h LEU 263 CO 0.00 0.59 -0.22 0.18 -0.34 0.00 0.00 178.44 178.65 3fsj n LEU 264 N -4.44 0.79 -4.72 2.25 4.77 -0.51 -4.92 117.00 110.22 3fsj n LEU 264 Ca 0.09 -0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.50 3fsj n LEU 264 Cb 0.08 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3fsj n LEU 264 CO 0.35 0.15 1.22 1.21 -1.33 0.00 0.00 177.39 179.00 3fsj n GLU 265 N -0.81 2.53 0.00 3.23 2.13 -0.63 -1.57 120.64 125.52 3fsj n GLU 265 Ca 0.12 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.85 3fsj n GLU 265 Cb 0.32 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.36 3fsj n GLU 265 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fsj n GLY 266 N 2.71 2.19 3.64 8.31 0.00 -1.26 -5.02 105.19 115.75 3fsj n GLY 266 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3fsj n GLY 266 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fsj s HIS 267 N -2.30 3.30 0.09 1.61 3.76 -0.61 -4.81 115.29 116.34 3fsj s HIS 267 Ca 0.00 1.01 -0.10 0.00 -0.15 0.00 0.00 55.06 55.82 3fsj s HIS 267 Cb 0.00 -2.96 -0.19 0.00 1.11 0.00 0.00 32.58 30.54 3fsj s HIS 267 CO 0.00 -0.36 1.22 0.38 -0.85 0.00 0.00 174.74 175.13 3fsj h ASP 268 N 7.74 0.76 -3.26 1.40 2.03 -1.70 -3.36 116.42 120.04 3fsj h ASP 268 Ca -0.25 -0.62 -0.56 0.00 -0.73 0.00 0.00 57.03 54.87 3fsj h ASP 268 Cb 1.11 -0.23 -0.35 0.00 -0.83 0.00 0.00 39.33 39.02 3fsj h ASP 268 CO 0.83 1.43 -0.82 -0.69 -1.03 0.00 0.00 179.24 178.96 3fsj s VAL 269 N -3.24 1.31 -0.23 4.15 1.01 -1.26 -1.06 120.40 121.09 3fsj s VAL 269 Ca -0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 3fsj s VAL 269 Cb 0.07 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.23 3fsj s VAL 269 CO 0.90 0.41 -0.05 -0.69 0.00 0.00 0.00 175.10 175.67 3fsj s VAL 270 N 1.17 3.16 -0.32 2.92 1.01 0.12 -1.41 120.40 127.05 3fsj s VAL 270 Ca -0.04 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 3fsj s VAL 270 Cb -0.14 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3fsj s VAL 270 CO -0.03 0.34 0.22 -0.22 0.00 0.00 0.00 175.10 175.40 3fsj s LEU 271 N 1.42 4.35 -0.18 3.92 2.96 -0.16 -0.70 118.68 130.28 3fsj s LEU 271 Ca 0.04 -0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 3fsj s LEU 271 Cb -0.15 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 3fsj s LEU 271 CO -0.04 -0.19 0.07 -0.69 -1.32 0.00 0.00 176.35 174.18 3fsj s VAL 272 N 1.71 4.89 -0.11 1.68 1.01 0.34 -0.82 120.40 129.11 3fsj s VAL 272 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.05 3fsj s VAL 272 Cb -0.17 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.02 3fsj s VAL 272 CO 0.10 0.47 -0.11 -0.63 0.00 0.00 0.00 175.10 174.92 3fsj s ILE 273 N 0.30 1.22 -0.82 2.22 1.01 0.22 -0.12 121.20 125.23 3fsj s ILE 273 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3fsj s ILE 273 Cb -0.12 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.18 3fsj s ILE 273 CO -0.00 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.94 3fsj n GLY 274 N 4.53 0.06 3.06 6.18 0.00 0.13 -1.00 105.19 118.15 3fsj n GLY 274 Ca -0.17 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 3fsj n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fsj s ALA 275 N -2.46 0.50 0.72 4.61 0.00 -1.26 -1.85 121.76 122.02 3fsj s ALA 275 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 50.94 3fsj s ALA 275 Cb 0.00 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.28 3fsj s ALA 275 CO 0.00 -0.16 1.11 -2.14 0.00 0.00 0.00 175.76 174.57 3fsj s PRO 276 N -2.32 2.45 -0.45 0.00 0.02 -1.26 -4.86 135.00 128.58 3fsj s PRO 276 Ca -0.05 1.33 -0.01 0.00 0.02 0.00 0.00 61.00 62.28 3fsj s PRO 276 Cb -0.04 -1.91 0.12 0.00 0.02 0.00 0.00 34.50 32.68 3fsj s PRO 276 CO -0.03 -1.51 0.23 0.08 -0.33 0.00 0.00 177.00 175.44 3fsj s VAL 277 N -2.57 3.15 0.23 3.83 1.01 -1.26 -4.11 120.40 120.68 3fsj s VAL 277 Ca 0.65 -2.38 0.08 0.00 0.00 0.00 0.00 61.98 60.33 3fsj s VAL 277 Cb -0.20 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 3fsj s VAL 277 CO 0.48 -0.72 -0.13 -0.36 0.00 0.00 0.00 175.10 174.37 3fsj s PHE 278 N 0.75 1.83 -1.51 5.22 0.08 -1.26 -4.19 117.98 118.90 3fsj s PHE 278 Ca 0.11 -0.57 -0.13 0.00 0.12 0.00 0.00 56.93 56.47 3fsj s PHE 278 Cb -0.22 -0.89 0.00 0.00 -0.57 0.00 0.00 43.02 41.35 3fsj s PHE 278 CO -0.04 0.39 2.47 -2.13 -0.10 0.00 0.00 175.22 175.80 3fsj n ARG 279 N -0.45 3.16 -0.62 0.44 3.00 -1.26 -4.95 116.66 115.98 3fsj n ARG 279 Ca -0.07 -2.50 -0.29 0.00 -0.00 0.00 0.00 57.85 54.99 3fsj n ARG 279 Cb 0.61 -3.12 0.21 0.00 0.00 0.00 0.00 32.46 30.17 3fsj n ARG 279 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3fsj s TYR 280 N 2.77 1.47 0.00 -0.14 2.02 -1.26 -4.20 117.35 118.01 3fsj s TYR 280 Ca 0.54 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.69 3fsj s TYR 280 Cb 0.15 -3.20 0.00 0.00 -0.40 0.00 0.00 41.96 38.52 3fsj s TYR 280 CO -0.08 -3.42 0.00 1.58 -1.57 0.00 0.00 175.55 172.07 3fsj n HIS 281 N -4.63 0.00 -1.72 2.71 -0.00 0.17 -4.99 115.22 106.77 3fsj n HIS 281 Ca 0.07 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.44 3fsj n HIS 281 Cb 0.53 0.12 0.06 0.00 -0.00 0.00 0.00 29.99 30.71 3fsj n HIS 281 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 3fsj s GLN 282 N -0.27 2.56 -0.07 1.57 0.00 -1.18 -4.97 119.66 117.30 3fsj s GLN 282 Ca 0.00 1.79 -0.30 0.00 -0.00 0.00 0.00 55.36 56.86 3fsj s GLN 282 Cb 0.00 -1.88 -0.05 0.00 0.00 0.00 0.00 33.01 31.08 3fsj s GLN 282 CO 0.00 -1.52 1.56 -0.47 0.00 0.00 0.00 175.29 174.87 3fsj s TYR 283 N -1.79 2.20 -0.45 9.60 5.04 -1.26 -4.66 117.35 126.03 3fsj s TYR 283 Ca 0.76 0.39 0.07 0.00 -2.44 0.00 0.00 57.07 55.85 3fsj s TYR 283 Cb -0.30 -3.82 0.28 0.00 0.35 0.00 0.00 41.96 38.47 3fsj s TYR 283 CO 0.40 -3.36 0.87 -3.47 -1.34 0.00 0.00 175.55 168.65 3fsj n ASP 284 N 6.90 -1.64 -4.76 4.32 2.03 -1.26 -5.01 116.55 117.13 3fsj n ASP 284 Ca 0.16 -3.27 -0.37 0.00 0.52 0.00 0.00 54.79 51.83 3fsj n ASP 284 Cb 0.43 1.06 0.02 0.00 -0.72 0.00 0.00 41.12 41.92 3fsj n ASP 284 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3fsj s PRO 285 N -0.22 3.24 0.00 -0.67 0.04 -1.26 -0.99 135.00 135.14 3fsj s PRO 285 Ca 0.31 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3fsj s PRO 285 Cb 0.25 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.67 3fsj s PRO 285 CO -0.14 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.30 3fsj n GLY 286 N 0.52 -0.58 3.75 0.56 0.00 -1.26 -4.48 105.19 103.68 3fsj n GLY 286 Ca 0.11 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 3fsj n GLY 286 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fsj s GLN 287 N -1.05 4.74 0.17 1.61 -0.21 -1.26 -4.82 119.66 118.83 3fsj s GLN 287 Ca 0.00 1.59 -0.11 0.00 0.02 0.00 0.00 55.36 56.85 3fsj s GLN 287 Cb 0.00 -3.28 0.06 0.00 1.00 0.00 0.00 33.01 30.79 3fsj s GLN 287 CO 0.00 0.32 1.67 1.88 -2.12 0.00 0.00 175.29 177.04 3fsj h TYR 288 N 4.51 0.98 -3.79 0.91 0.05 -1.99 -3.40 116.97 114.25 3fsj h TYR 288 Ca -0.45 -0.13 -0.17 0.00 0.05 0.00 0.00 58.73 58.04 3fsj h TYR 288 Cb 1.21 -0.27 -0.22 0.00 1.01 0.00 0.00 36.73 38.46 3fsj h TYR 288 CO 0.61 0.85 -0.63 -0.51 -1.05 0.00 0.00 178.16 177.44 3fsj s LEU 289 N -9.54 1.97 0.43 3.88 1.43 -1.26 -4.28 118.68 111.30 3fsj s LEU 289 Ca -0.12 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 3fsj s LEU 289 Cb 0.13 0.30 -0.07 0.00 0.03 0.00 0.00 46.19 46.58 3fsj s LEU 289 CO 0.82 -0.29 0.82 -0.54 0.23 0.00 0.00 176.35 177.38 3fsj s LYS 290 N -1.28 3.81 0.23 1.70 1.02 -1.26 -5.00 119.74 118.96 3fsj s LYS 290 Ca -0.14 0.57 -0.31 0.00 0.02 0.00 0.00 55.97 56.12 3fsj s LYS 290 Cb -0.08 -2.34 -0.15 0.00 -0.52 0.00 0.00 37.83 34.74 3fsj s LYS 290 CO -0.00 -0.09 1.12 -2.30 -0.92 0.00 0.00 175.35 173.16 3fsj n PRO 291 N -1.36 1.33 0.00 -1.68 -0.02 -1.26 -2.15 135.00 129.86 3fsj n PRO 291 Ca 0.03 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3fsj n PRO 291 Cb 0.54 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 3fsj n PRO 291 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fsj n GLY 292 N 1.70 0.77 3.54 -1.23 0.00 -1.26 -4.79 105.19 103.92 3fsj n GLY 292 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3fsj n GLY 292 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fsj s THR 293 N -2.21 4.38 0.11 2.61 2.01 -0.91 -4.18 115.64 117.44 3fsj s THR 293 Ca 0.00 -0.17 0.10 0.00 0.31 0.00 0.00 61.69 61.93 3fsj s THR 293 Cb 0.00 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 3fsj s THR 293 CO 0.00 0.43 -0.24 0.00 -0.69 0.00 0.00 174.62 174.12 3fsj s ARG 294 N 0.73 1.58 -0.02 4.92 1.70 -0.22 -4.80 118.95 122.84 3fsj s ARG 294 Ca 0.02 -1.26 0.07 0.00 -0.47 0.00 0.00 55.73 54.09 3fsj s ARG 294 Cb -0.14 -1.98 -0.02 0.00 -0.57 0.00 0.00 34.95 32.24 3fsj s ARG 294 CO 0.02 0.47 -0.23 -1.17 -1.08 0.00 0.00 175.30 173.31 3fsj s LEU 295 N -1.96 2.24 -0.10 -1.89 0.20 -1.26 -0.70 118.68 115.20 3fsj s LEU 295 Ca 0.15 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.56 3fsj s LEU 295 Cb -0.10 -1.39 0.02 0.00 -0.43 0.00 0.00 46.19 44.29 3fsj s LEU 295 CO 0.07 0.32 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.71 3fsj s ILE 296 N -0.67 1.17 -0.15 6.68 1.01 0.12 -1.28 121.20 128.08 3fsj s ILE 296 Ca 0.11 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 3fsj s ILE 296 Cb -0.10 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 3fsj s ILE 296 CO -0.00 0.38 -0.04 -0.55 0.00 0.00 0.00 174.94 174.73 3fsj s SER 297 N 1.30 4.74 -0.24 3.58 0.15 0.25 -0.50 113.70 122.98 3fsj s SER 297 Ca -0.02 -0.14 -0.06 0.00 0.70 0.00 0.00 55.95 56.43 3fsj s SER 297 Cb -0.14 -1.76 -0.02 0.00 -1.71 0.00 0.00 66.02 62.40 3fsj s SER 297 CO -0.04 0.18 0.03 -0.69 1.20 0.00 0.00 173.24 173.91 3fsj s VAL 298 N 0.32 3.95 0.03 4.45 1.01 0.82 -0.18 120.40 130.80 3fsj s VAL 298 Ca -0.04 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3fsj s VAL 298 Cb -0.14 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 3fsj s VAL 298 CO 0.03 0.36 -0.06 0.28 0.00 0.00 0.00 175.10 175.71 3fsj s THR 299 N 1.56 0.40 -2.11 3.92 -1.32 -0.29 -0.69 115.64 117.11 3fsj s THR 299 Ca 0.06 -0.89 0.29 0.00 -1.21 0.00 0.00 61.69 59.94 3fsj s THR 299 Cb -0.15 -0.47 0.62 0.00 -1.51 0.00 0.00 72.50 70.99 3fsj s THR 299 CO 0.01 -0.33 1.91 0.00 -2.21 0.00 0.00 174.62 173.99 3fsj s ASP 301 N -2.14 3.46 0.44 0.00 -1.08 -1.26 -3.06 116.67 113.02 3fsj s ASP 301 Ca 0.38 -0.98 0.19 0.00 -0.52 0.00 0.00 52.55 51.62 3fsj s ASP 301 Cb 0.21 -1.07 1.13 0.00 -1.46 0.00 0.00 42.92 41.73 3fsj s ASP 301 CO 0.39 -0.22 1.87 -0.65 0.52 0.00 0.00 175.17 177.09 3fsj h PRO 302 N 8.02 0.34 -0.14 4.34 0.11 -1.97 -0.78 132.00 141.93 3fsj h PRO 302 Ca -0.21 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.82 3fsj h PRO 302 Cb 1.09 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3fsj h PRO 302 CO 0.41 0.23 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.16 3fsj h LEU 303 N 0.35 0.23 -0.08 2.35 3.38 -1.99 -0.23 115.31 119.33 3fsj h LEU 303 Ca 0.44 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 3fsj h LEU 303 Cb 1.17 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3fsj h LEU 303 CO -0.15 0.45 -0.11 -0.33 0.09 0.00 0.00 178.44 178.39 3fsj h GLU 304 N 0.22 0.21 -0.99 1.13 5.08 -1.58 -2.96 114.58 115.70 3fsj h GLU 304 Ca 0.04 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3fsj h GLU 304 Cb 0.49 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 3fsj h GLU 304 CO 0.03 0.68 0.64 0.00 -1.00 0.00 0.00 179.01 179.37 3fsj h ALA 305 N 0.52 1.33 -0.56 3.43 0.00 -1.10 -2.47 119.26 120.41 3fsj h ALA 305 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3fsj h ALA 305 Cb 0.66 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3fsj h ALA 305 CO 0.03 0.51 -0.02 0.00 0.00 0.00 0.00 179.25 179.77 3fsj h ALA 306 N 1.42 0.75 -0.00 0.00 0.00 -1.09 -3.28 119.26 117.06 3fsj h ALA 306 Ca 0.40 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3fsj h ALA 306 Cb 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3fsj h ALA 306 CO -0.14 0.60 -0.55 2.89 0.00 0.00 0.00 179.25 182.05 3fsj n ARG 307 N -4.23 0.12 -1.66 0.00 1.85 -1.08 -4.88 116.66 106.77 3fsj n ARG 307 Ca 0.02 -0.08 -0.48 0.00 -1.00 0.00 0.00 57.85 56.31 3fsj n ARG 307 Cb 0.35 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.21 3fsj n ARG 307 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3fsj n ALA 308 N -1.37 0.76 1.24 2.89 0.00 -0.95 -4.85 120.51 118.23 3fsj n ALA 308 Ca 0.06 0.40 0.12 0.00 0.00 0.00 0.00 53.44 54.03 3fsj n ALA 308 Cb 0.34 -2.35 0.65 0.00 0.00 0.00 0.00 19.45 18.09 3fsj n ALA 308 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3fsj n PRO 309 N 4.40 0.43 -3.58 0.00 -0.02 -1.26 -4.87 135.00 130.10 3fsj n PRO 309 Ca 0.20 0.04 -0.11 0.00 -2.02 0.00 0.00 63.50 61.61 3fsj n PRO 309 Cb 0.26 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 3fsj n PRO 309 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fsj s MET 310 N -2.47 1.16 0.00 -0.52 0.23 -1.26 -5.10 119.30 111.34 3fsj s MET 310 Ca 0.26 -0.65 0.00 0.00 -1.03 0.00 0.00 55.69 54.27 3fsj s MET 310 Cb 0.17 0.51 0.00 0.00 -1.53 0.00 0.00 34.83 33.98 3fsj s MET 310 CO 0.36 -0.48 0.00 0.41 -2.03 0.00 0.00 175.02 173.29 3fsj n GLY 311 N -0.28 -0.06 3.91 3.16 0.00 -1.26 -4.98 105.19 105.68 3fsj n GLY 311 Ca -0.16 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 3fsj n GLY 311 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fsj s ASP 312 N -2.07 6.06 0.02 1.61 1.01 -0.40 -4.96 116.67 117.93 3fsj s ASP 312 Ca 0.00 0.82 -0.03 0.00 0.71 0.00 0.00 52.55 54.05 3fsj s ASP 312 Cb 0.00 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 3fsj s ASP 312 CO 0.00 -0.71 0.04 0.00 0.21 0.00 0.00 175.17 174.71 3fsj s ALA 313 N -2.79 -0.01 -0.08 5.23 0.00 -1.26 -0.58 121.76 122.28 3fsj s ALA 313 Ca 0.49 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.94 3fsj s ALA 313 Cb -0.10 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.21 3fsj s ALA 313 CO 0.44 -0.22 -0.06 0.42 0.00 0.00 0.00 175.76 176.34 3fsj s ILE 314 N -1.89 0.79 -0.39 0.00 1.01 0.74 -4.93 121.20 116.54 3fsj s ILE 314 Ca -0.11 -0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 3fsj s ILE 314 Cb -0.06 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.60 3fsj s ILE 314 CO -0.02 0.31 0.33 -0.69 0.00 0.00 0.00 174.94 174.87 3fsj s VAL 315 N 1.37 5.21 0.25 2.92 1.01 -1.26 -1.14 120.40 128.77 3fsj s VAL 315 Ca -0.03 -0.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 3fsj s VAL 315 Cb -0.14 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.40 3fsj s VAL 315 CO -0.03 -0.23 0.85 0.00 0.00 0.00 0.00 175.10 175.68 3fsj s ALA 316 N 1.85 -1.32 0.15 5.51 0.00 -0.31 -4.93 121.76 122.72 3fsj s ALA 316 Ca 0.08 -0.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 3fsj s ALA 316 Cb -0.18 0.74 -0.08 0.00 0.00 0.00 0.00 23.12 23.60 3fsj s ALA 316 CO 0.11 -1.04 1.35 0.34 0.00 0.00 0.00 175.76 176.53 3fsj s ASP 317 N -3.01 6.86 0.15 0.00 2.15 -0.57 -3.43 116.67 118.83 3fsj s ASP 317 Ca 0.13 2.35 -0.11 0.00 0.43 0.00 0.00 52.55 55.36 3fsj s ASP 317 Cb -0.04 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 3fsj s ASP 317 CO 0.06 -0.60 1.54 0.40 -0.17 0.00 0.00 175.17 176.41 3fsj h ILE 318 N 4.04 1.27 -0.15 4.11 1.08 -1.89 -1.33 117.51 124.64 3fsj h ILE 318 Ca -0.43 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 62.68 3fsj h ILE 318 Cb 1.21 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 3fsj h ILE 318 CO 0.82 0.47 0.10 1.23 -0.69 0.00 0.00 178.15 180.08 3fsj h GLY 319 N 0.82 0.21 1.04 5.37 0.00 -1.88 0.20 103.07 108.83 3fsj h GLY 319 Ca 0.11 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 3fsj h GLY 319 CO 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 176.54 176.68 3fsj h ALA 320 N 1.05 0.72 -0.22 3.60 0.00 -1.83 -2.05 119.26 120.53 3fsj h ALA 320 Ca 0.06 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3fsj h ALA 320 Cb -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3fsj h ALA 320 CO -0.01 0.54 -0.29 0.52 0.00 0.00 0.00 179.25 180.01 3fsj h MET 321 N 0.82 0.59 -0.68 0.00 2.07 -1.12 -1.95 114.93 114.66 3fsj h MET 321 Ca 0.15 -0.33 -0.04 0.00 -2.07 0.00 0.00 59.70 57.41 3fsj h MET 321 Cb 0.54 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.26 3fsj h MET 321 CO 0.03 0.94 0.28 0.00 1.07 0.00 0.00 176.91 179.23 3fsj h ALA 322 N 0.64 0.88 -0.31 6.32 0.00 -0.93 -0.41 119.26 125.45 3fsj h ALA 322 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3fsj h ALA 322 Cb 0.86 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3fsj h ALA 322 CO 0.07 0.48 0.14 1.03 0.00 0.00 0.00 179.25 180.97 3fsj h SER 323 N 0.96 0.41 -0.07 0.00 0.87 -1.37 -1.30 113.55 113.05 3fsj h SER 323 Ca 0.23 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3fsj h SER 323 Cb 0.19 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3fsj h SER 323 CO -0.02 0.43 0.03 0.00 -0.53 0.00 0.00 176.83 176.74 3fsj h ALA 324 N 0.99 0.08 -0.38 6.23 0.00 -1.10 -2.13 119.26 122.96 3fsj h ALA 324 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3fsj h ALA 324 Cb 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3fsj h ALA 324 CO -0.01 -0.36 0.21 -0.07 0.00 0.00 0.00 179.25 179.02 3fsj h LEU 325 N -0.02 0.47 -1.33 0.00 3.38 -1.04 -1.39 115.31 115.38 3fsj h LEU 325 Ca 0.02 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3fsj h LEU 325 Cb 0.12 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3fsj h LEU 325 CO -0.00 0.41 0.49 0.00 0.09 0.00 0.00 178.44 179.43 3fsj h ALA 326 N 1.07 1.62 0.00 1.53 0.00 -1.15 -1.99 119.26 120.35 3fsj h ALA 326 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fsj h ALA 326 Cb 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3fsj h ALA 326 CO -0.02 0.28 -0.53 0.09 0.00 0.00 0.00 179.25 179.07 3fsj n ASN 327 N -4.47 0.60 -0.09 0.00 3.02 -0.81 -4.33 115.26 109.19 3fsj n ASN 327 Ca 0.10 0.06 -0.09 0.00 -0.03 0.00 0.00 54.58 54.62 3fsj n ASN 327 Cb 0.17 0.10 -0.14 0.00 -0.61 0.00 0.00 39.78 39.31 3fsj n ASN 327 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fsj n LEU 328 N -1.91 0.15 -4.76 3.41 4.77 -0.55 -5.01 117.00 113.09 3fsj n LEU 328 Ca 0.04 -0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.67 3fsj n LEU 328 Cb 0.40 0.38 0.03 0.00 -2.33 0.00 0.00 43.42 41.90 3fsj n LEU 328 CO 0.35 0.46 0.79 0.68 -1.33 0.00 0.00 177.39 178.34 3fsj s VAL 329 N -2.43 2.95 0.61 4.08 -7.23 -0.79 -5.00 120.40 112.59 3fsj s VAL 329 Ca -0.10 0.55 -0.17 0.00 -1.81 0.00 0.00 61.98 60.45 3fsj s VAL 329 Cb 0.05 -3.16 -0.02 0.00 0.56 0.00 0.00 36.38 33.81 3fsj s VAL 329 CO 0.72 -0.17 1.11 -1.61 -0.31 0.00 0.00 175.10 174.83 3fsj s GLU 330 N -3.53 3.05 -0.44 4.82 2.02 -1.26 -4.99 118.70 118.36 3fsj s GLU 330 Ca 0.73 1.45 -0.29 0.00 0.02 0.00 0.00 54.97 56.88 3fsj s GLU 330 Cb -0.25 -1.98 0.02 0.00 0.10 0.00 0.00 34.13 32.02 3fsj s GLU 330 CO 0.33 -1.06 1.28 -2.00 0.02 0.00 0.00 175.26 173.83 3fsj s GLU 331 N -3.81 3.66 0.47 1.61 2.56 -1.26 -4.41 118.70 117.51 3fsj s GLU 331 Ca 0.69 0.78 -0.23 0.00 0.00 0.00 0.00 54.97 56.21 3fsj s GLU 331 Cb -0.21 -3.97 -0.07 0.00 2.00 0.00 0.00 34.13 31.88 3fsj s GLU 331 CO 0.36 -1.47 1.20 0.45 -0.56 0.00 0.00 175.26 175.24 3fsj s SER 332 N 3.22 6.06 0.00 -1.70 0.15 0.51 -4.94 113.70 117.00 3fsj s SER 332 Ca 0.55 2.38 0.29 0.00 0.70 0.00 0.00 55.95 59.87 3fsj s SER 332 Cb -0.11 -2.61 1.24 0.00 -1.71 0.00 0.00 66.02 62.83 3fsj s SER 332 CO 0.32 -1.00 1.85 -1.54 1.20 0.00 0.00 173.24 174.07 3fsj n SER 333 N -0.52 1.08 -4.72 5.45 3.41 -1.26 -4.90 113.62 112.15 3fsj n SER 333 Ca 0.07 -1.30 -0.31 0.00 -0.26 0.00 0.00 58.87 57.07 3fsj n SER 333 Cb 0.47 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.55 3fsj n SER 333 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3fsj s ARG 334 N -2.06 1.69 0.31 4.33 0.52 -1.26 -4.98 118.95 117.50 3fsj s ARG 334 Ca 0.39 1.37 -0.28 0.00 -0.52 0.00 0.00 55.73 56.69 3fsj s ARG 334 Cb 0.21 -1.82 -0.09 0.00 0.52 0.00 0.00 34.95 33.77 3fsj s ARG 334 CO 0.36 -2.10 1.09 -0.65 0.02 0.00 0.00 175.30 174.02 3fsj s GLN 335 N -4.74 4.52 0.28 3.54 -1.52 -1.26 -4.92 119.66 115.56 3fsj s GLN 335 Ca 0.64 1.76 -0.30 0.00 -1.95 0.00 0.00 55.36 55.51 3fsj s GLN 335 Cb -0.20 -3.04 -0.11 0.00 -0.22 0.00 0.00 33.01 29.43 3fsj s GLN 335 CO 0.56 0.12 1.55 -1.17 -0.25 0.00 0.00 175.29 176.10 3fsj s LEU 336 N -1.72 4.36 0.54 2.90 2.96 -1.26 -4.89 118.68 121.56 3fsj s LEU 336 Ca 0.48 2.86 -0.20 0.00 -0.22 0.00 0.00 54.13 57.05 3fsj s LEU 336 Cb -0.30 -3.63 -0.08 0.00 0.50 0.00 0.00 46.19 42.67 3fsj s LEU 336 CO 0.39 -0.85 0.74 -2.65 -1.32 0.00 0.00 176.35 172.65 3fsj n PRO 337 N 2.23 0.77 -3.07 0.98 -0.02 -1.26 -4.97 135.00 129.66 3fsj n PRO 337 Ca 0.08 0.29 -0.39 0.00 -2.02 0.00 0.00 63.50 61.46 3fsj n PRO 337 Cb 0.38 -1.87 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 3fsj n PRO 337 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3fsj s THR 338 N -1.56 4.58 0.43 3.45 2.01 -1.26 -4.46 115.64 118.83 3fsj s THR 338 Ca 0.69 1.54 -0.25 0.00 0.31 0.00 0.00 61.69 63.97 3fsj s THR 338 Cb -0.47 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 67.88 3fsj s THR 338 CO 0.53 0.49 1.33 0.00 -0.69 0.00 0.00 174.62 176.28 3fsj n ALA 339 N 1.99 1.59 -1.77 7.40 0.00 -1.20 -4.77 120.51 123.75 3fsj n ALA 339 Ca -0.06 0.26 -0.40 0.00 0.00 0.00 0.00 53.44 53.23 3fsj n ALA 339 Cb 0.50 -2.32 0.01 0.00 0.00 0.00 0.00 19.45 17.65 3fsj n ALA 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fsj n ALA 340 N -0.20 2.11 -1.18 0.00 0.00 -1.26 -4.98 120.51 114.99 3fsj n ALA 340 Ca 0.06 0.27 -0.31 0.00 0.00 0.00 0.00 53.44 53.46 3fsj n ALA 340 Cb 0.40 -2.40 0.11 0.00 0.00 0.00 0.00 19.45 17.56 3fsj n ALA 340 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fsj s PRO 341 N -2.38 1.88 0.57 0.00 0.04 -1.26 -4.98 135.00 128.87 3fsj s PRO 341 Ca 0.60 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 62.57 3fsj s PRO 341 Cb -0.45 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 3fsj s PRO 341 CO 0.59 -1.90 1.27 -2.00 0.04 0.00 0.00 177.00 175.01 3fsj s GLU 342 N -4.88 3.03 0.73 4.56 2.56 -1.26 -4.97 118.70 118.47 3fsj s GLU 342 Ca 0.62 2.02 -0.13 0.00 0.00 0.00 0.00 54.97 57.47 3fsj s GLU 342 Cb -0.18 -2.08 0.04 0.00 2.00 0.00 0.00 34.13 33.91 3fsj s GLU 342 CO 0.57 -1.21 1.13 -2.14 -0.56 0.00 0.00 175.26 173.05 3fsj s PRO 343 N -3.12 2.32 0.55 4.30 0.02 -1.26 -5.00 135.00 132.81 3fsj s PRO 343 Ca 0.75 1.45 -0.19 0.00 0.02 0.00 0.00 61.00 63.03 3fsj s PRO 343 Cb -0.35 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.22 3fsj s PRO 343 CO 0.40 -1.63 1.09 0.00 -0.33 0.00 0.00 177.00 176.52 3fsj s ALA 344 N -2.41 2.73 -0.21 -1.55 0.00 -1.26 -5.02 121.76 114.05 3fsj s ALA 344 Ca 0.67 0.65 -0.25 0.00 0.00 0.00 0.00 51.96 53.04 3fsj s ALA 344 Cb -0.22 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 3fsj s ALA 344 CO 0.47 -0.68 0.83 0.21 0.00 0.00 0.00 175.76 176.59 3fsj s LYS 345 N -3.48 4.24 0.24 0.00 2.20 -1.26 -5.04 119.74 116.63 3fsj s LYS 345 Ca 0.69 0.98 -0.30 0.00 -0.36 0.00 0.00 55.97 56.98 3fsj s LYS 345 Cb -0.20 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.42 3fsj s LYS 345 CO 0.28 -0.43 1.17 0.08 -0.36 0.00 0.00 175.35 176.08 3fsj s VAL 346 N 2.53 3.45 0.19 4.02 1.01 -1.26 -4.97 120.40 125.37 3fsj s VAL 346 Ca 0.36 1.34 -0.33 0.00 0.00 0.00 0.00 61.98 63.35 3fsj s VAL 346 Cb -0.16 -3.85 -0.14 0.00 0.00 0.00 0.00 36.38 32.23 3fsj s VAL 346 CO 0.09 0.27 1.54 0.47 0.00 0.00 0.00 175.10 177.48 3fsj n ASP 347 N 1.79 3.09 -3.79 3.32 9.92 -1.26 -4.93 116.55 124.69 3fsj n ASP 347 Ca 0.02 1.10 -0.25 0.00 -0.53 0.00 0.00 54.79 55.13 3fsj n ASP 347 Cb 0.44 -1.44 -0.17 0.00 -0.64 0.00 0.00 41.12 39.31 3fsj n ASP 347 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 3fsj s GLN 348 N 0.51 0.81 0.00 -1.24 2.00 -1.26 -4.96 119.66 115.51 3fsj s GLN 348 Ca 0.75 -0.13 -0.00 0.00 -2.00 0.00 0.00 55.36 53.98 3fsj s GLN 348 Cb -0.65 -1.44 0.00 0.00 0.80 0.00 0.00 33.01 31.71 3fsj s GLN 348 CO 0.41 -0.40 0.01 -0.40 -0.50 0.00 0.00 175.29 174.41 3fsj n ASP 349 N 5.07 0.00 -0.69 6.67 5.68 -1.26 -4.97 116.55 127.06 3fsj n ASP 349 Ca -0.09 -1.00 0.04 0.00 -0.50 0.00 0.00 54.79 53.24 3fsj n ASP 349 Cb 0.49 -0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.60 3fsj n ASP 349 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fsj n ALA 350 N -3.00 2.66 -2.18 2.12 0.00 -1.26 -4.78 120.51 114.06 3fsj n ALA 350 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3fsj n ALA 350 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3fsj n ALA 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fsj n GLY 351 N 0.69 2.51 3.73 0.00 0.00 -1.26 -4.76 105.19 106.09 3fsj n GLY 351 Ca 0.10 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 3fsj n GLY 351 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fsj n ARG 352 N 0.00 1.31 -2.94 1.61 1.74 -1.25 -4.24 116.66 112.89 3fsj n ARG 352 Ca 0.00 0.50 -0.40 0.00 -0.77 0.00 0.00 57.85 57.18 3fsj n ARG 352 Cb 0.00 -2.53 -0.04 0.00 -1.02 0.00 0.00 32.46 28.87 3fsj n ARG 352 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3fsj s LEU 353 N -3.90 4.34 0.31 0.55 1.43 0.06 -4.63 118.68 116.85 3fsj s LEU 353 Ca 0.78 1.35 -0.29 0.00 -1.03 0.00 0.00 54.13 54.95 3fsj s LEU 353 Cb -0.40 -3.24 -0.10 0.00 0.03 0.00 0.00 46.19 42.48 3fsj s LEU 353 CO 0.44 -0.15 1.24 -1.00 0.23 0.00 0.00 176.35 177.10 3fsj s HIS 354 N 0.80 3.22 0.38 0.29 3.76 -1.26 -0.89 115.29 121.60 3fsj s HIS 354 Ca 0.42 1.51 0.12 0.00 -0.15 0.00 0.00 55.06 56.96 3fsj s HIS 354 Cb -0.19 -3.55 0.93 0.00 1.11 0.00 0.00 32.58 30.88 3fsj s HIS 354 CO 0.21 -1.43 1.87 -1.35 -0.85 0.00 0.00 174.74 173.20 3fsj h PRO 355 N 3.53 0.55 -0.99 8.40 0.11 -1.96 -1.09 132.00 140.55 3fsj h PRO 355 Ca -0.48 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3fsj h PRO 355 Cb 1.22 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 3fsj h PRO 355 CO 0.66 0.36 0.65 0.93 -0.21 0.00 0.00 178.00 180.39 3fsj h GLU 356 N 0.56 1.20 -0.60 1.05 3.07 -1.95 -1.03 114.58 116.88 3fsj h GLU 356 Ca 0.44 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.21 3fsj h GLU 356 Cb 0.87 -0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 3fsj h GLU 356 CO -0.19 0.79 0.29 1.15 -1.40 0.00 0.00 179.01 179.65 3fsj h THR 357 N 1.23 1.21 -0.16 1.13 2.02 -1.57 -0.99 112.91 115.80 3fsj h THR 357 Ca 0.40 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 3fsj h THR 357 Cb 0.03 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3fsj h THR 357 CO -0.13 0.25 0.09 0.58 0.37 0.00 0.00 175.52 176.68 3fsj h VAL 358 N 0.82 1.08 -0.58 3.16 2.07 -0.96 -0.97 116.25 120.86 3fsj h VAL 358 Ca 0.21 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3fsj h VAL 358 Cb 0.12 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3fsj h VAL 358 CO -0.03 0.07 0.03 -0.26 0.02 0.00 0.00 177.57 177.41 3fsj h PHE 359 N 0.17 1.06 -0.73 1.57 0.04 -1.09 0.05 116.94 118.02 3fsj h PHE 359 Ca 0.06 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 3fsj h PHE 359 Cb 0.04 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 3fsj h PHE 359 CO -0.05 0.93 0.41 -0.44 -0.60 0.00 0.00 178.31 178.56 3fsj h ASP 360 N 0.92 0.90 -0.35 2.17 3.32 -0.99 -0.57 116.42 121.81 3fsj h ASP 360 Ca 0.17 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3fsj h ASP 360 Cb 0.49 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3fsj h ASP 360 CO 0.02 0.72 -0.20 0.74 -1.72 0.00 0.00 179.24 178.81 3fsj h THR 361 N 1.00 1.29 -0.45 0.35 2.02 -0.85 -0.83 112.91 115.44 3fsj h THR 361 Ca 0.26 -1.33 0.04 0.00 0.77 0.00 0.00 66.41 66.15 3fsj h THR 361 Cb 0.02 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 3fsj h THR 361 CO -0.04 0.44 0.20 -0.07 0.37 0.00 0.00 175.52 176.42 3fsj h LEU 362 N 0.54 0.28 -1.09 2.58 3.38 -0.81 -1.17 115.31 119.03 3fsj h LEU 362 Ca 0.08 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3fsj h LEU 362 Cb 0.75 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3fsj h LEU 362 CO 0.06 0.20 0.52 -1.13 0.09 0.00 0.00 178.44 178.17 3fsj h ASN 363 N 0.41 1.01 -0.52 -0.43 -1.24 -0.83 0.94 115.58 114.93 3fsj h ASN 363 Ca 0.20 -0.05 -0.08 0.00 0.71 0.00 0.00 56.30 57.07 3fsj h ASN 363 Cb 0.13 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 3fsj h ASN 363 CO -0.16 0.77 0.02 0.44 -1.29 0.00 0.00 177.43 177.21 3fsj h ASP 364 N 1.17 0.92 0.00 1.15 3.32 -0.65 -3.37 116.42 118.95 3fsj h ASP 364 Ca 0.31 -0.24 -0.28 0.00 0.02 0.00 0.00 57.03 56.84 3fsj h ASP 364 Cb -0.06 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.19 3fsj h ASP 364 CO -0.06 0.96 -2.07 0.23 -1.72 0.00 0.00 179.24 176.58 3fsj n MET 365 N -4.20 1.43 -2.14 3.56 2.81 -0.49 -5.00 117.12 113.09 3fsj n MET 365 Ca 0.03 -0.01 -0.35 0.00 -1.81 0.00 0.00 57.70 55.56 3fsj n MET 365 Cb 0.32 -1.40 0.01 0.00 -0.71 0.00 0.00 33.22 31.44 3fsj n MET 365 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fsj s ALA 366 N -2.39 2.64 0.81 3.04 0.00 0.29 -5.01 121.76 121.14 3fsj s ALA 366 Ca -0.08 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 3fsj s ALA 366 Cb 0.05 -3.36 0.08 0.00 0.00 0.00 0.00 23.12 19.89 3fsj s ALA 366 CO 0.64 -0.90 1.16 -1.25 0.00 0.00 0.00 175.76 175.41 3fsj s PRO 367 N -3.44 1.76 0.55 0.00 0.04 -1.26 -4.90 135.00 127.75 3fsj s PRO 367 Ca 0.72 1.55 0.36 0.00 0.04 0.00 0.00 61.00 63.67 3fsj s PRO 367 Cb -0.24 -1.81 1.76 0.00 0.04 0.00 0.00 34.50 34.25 3fsj s PRO 367 CO 0.30 -2.08 2.09 0.93 0.04 0.00 0.00 177.00 178.28 3fsj h GLU 368 N -1.05 0.00 -0.44 4.56 5.08 -1.95 -1.91 114.58 118.86 3fsj h GLU 368 Ca -0.45 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 3fsj h GLU 368 Cb 1.27 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 3fsj h GLU 368 CO 0.47 0.00 0.06 0.27 -1.00 0.00 0.00 179.01 178.81 3fsj n ASN 369 N -2.93 4.25 -4.66 1.42 6.94 -1.26 -4.56 115.26 114.45 3fsj n ASN 369 Ca -0.01 -3.16 -0.34 0.00 -0.02 0.00 0.00 54.58 51.05 3fsj n ASN 369 Cb 0.18 -0.63 0.11 0.00 -2.36 0.00 0.00 39.78 37.08 3fsj n ASN 369 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3fsj n ALA 370 N -0.32 -0.12 -3.32 -2.53 0.00 -0.72 -4.34 120.51 109.16 3fsj n ALA 370 Ca 0.29 -0.28 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3fsj n ALA 370 Cb 1.09 -2.20 -0.17 0.00 0.00 0.00 0.00 19.45 18.17 3fsj n ALA 370 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fsj s ILE 371 N -2.01 2.12 0.03 0.00 1.01 -0.16 -4.78 121.20 117.40 3fsj s ILE 371 Ca 0.73 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3fsj s ILE 371 Cb -0.31 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3fsj s ILE 371 CO 0.51 0.56 0.02 -0.31 0.00 0.00 0.00 174.94 175.71 3fsj s TYR 372 N 0.46 3.09 0.07 3.97 2.02 0.57 -0.41 117.35 127.13 3fsj s TYR 372 Ca -0.16 0.07 0.09 0.00 -0.37 0.00 0.00 57.07 56.70 3fsj s TYR 372 Cb -0.17 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 3fsj s TYR 372 CO 0.06 0.48 -0.24 -0.51 -1.57 0.00 0.00 175.55 173.77 3fsj s LEU 373 N -1.81 2.22 -0.20 -1.29 1.02 -0.67 -1.59 118.68 116.36 3fsj s LEU 373 Ca 0.22 -0.62 0.01 0.00 0.02 0.00 0.00 54.13 53.77 3fsj s LEU 373 Cb -0.12 -1.10 0.04 0.00 0.02 0.00 0.00 46.19 45.04 3fsj s LEU 373 CO 0.13 0.17 -0.13 0.21 0.02 0.00 0.00 176.35 176.76 3fsj s ASN 374 N -1.50 3.44 -0.31 2.29 2.47 -0.12 -0.55 114.94 120.66 3fsj s ASN 374 Ca 0.10 -0.88 0.18 0.00 0.42 0.00 0.00 52.86 52.68 3fsj s ASN 374 Cb -0.10 -1.33 0.47 0.00 -1.45 0.00 0.00 41.25 38.85 3fsj s ASN 374 CO 0.03 -0.11 1.03 1.21 -3.72 0.00 0.00 177.10 175.54 3fsj n GLU 375 N 4.64 1.69 -3.80 0.43 2.13 0.21 -4.35 120.64 121.59 3fsj n GLU 375 Ca -0.16 -3.50 -0.33 0.00 0.66 0.00 0.00 57.16 53.83 3fsj n GLU 375 Cb 0.47 -1.52 -0.11 0.00 0.27 0.00 0.00 31.44 30.55 3fsj n GLU 375 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3fsj s SER 376 N -3.43 5.06 0.42 4.31 0.15 -1.19 -0.81 113.70 118.21 3fsj s SER 376 Ca 0.30 -3.28 0.18 0.00 0.70 0.00 0.00 55.95 53.85 3fsj s SER 376 Cb 0.40 -1.76 0.95 0.00 -1.71 0.00 0.00 66.02 63.90 3fsj s SER 376 CO -0.01 -0.24 1.91 0.71 1.20 0.00 0.00 173.24 176.81 3fsj h THR 377 N 4.91 1.01 -0.01 6.45 1.35 -1.93 -2.07 112.91 122.62 3fsj h THR 377 Ca 0.04 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 3fsj h THR 377 Cb 0.87 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3fsj h THR 377 CO 0.73 0.27 -0.19 -1.54 -0.25 0.00 0.00 175.52 174.55 3fsj n SER 378 N -3.94 0.70 -0.14 5.36 3.41 -1.26 -4.17 113.62 113.58 3fsj n SER 378 Ca -0.02 -0.66 0.01 0.00 -0.26 0.00 0.00 58.87 57.94 3fsj n SER 378 Cb 0.35 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.35 3fsj n SER 378 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3fsj n THR 379 N -0.86 1.01 -0.17 6.66 -2.24 -0.78 -4.80 114.28 113.10 3fsj n THR 379 Ca 0.13 -1.02 -0.04 0.00 -2.27 0.00 0.00 64.05 60.85 3fsj n THR 379 Cb 0.31 0.49 0.05 0.00 -2.10 0.00 0.00 70.33 69.08 3fsj n THR 379 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3fsj h THR 380 N 0.43 0.96 -0.65 4.28 2.02 -1.72 -0.76 112.91 117.48 3fsj h THR 380 Ca 0.00 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.02 3fsj h THR 380 Cb 0.56 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 3fsj h THR 380 CO 0.00 0.09 0.42 0.00 0.37 0.00 0.00 175.52 176.40 3fsj h ALA 381 N 1.27 0.84 -0.60 6.16 0.00 -1.92 -1.53 119.26 123.49 3fsj h ALA 381 Ca 0.23 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3fsj h ALA 381 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3fsj h ALA 381 CO -0.15 0.20 -0.03 1.96 0.00 0.00 0.00 179.25 181.23 3fsj h GLN 382 N 0.83 1.07 -0.29 0.00 7.50 -1.80 -2.63 115.11 119.80 3fsj h GLN 382 Ca 0.25 -0.36 0.02 0.00 0.50 0.00 0.00 58.65 59.07 3fsj h GLN 382 Cb -0.03 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.38 3fsj h GLN 382 CO -0.08 1.06 0.13 1.98 -1.50 0.00 0.00 178.83 180.41 3fsj h MET 383 N 0.97 0.27 -0.18 1.46 4.05 -0.67 -2.05 114.93 118.78 3fsj h MET 383 Ca 0.17 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 3fsj h MET 383 Cb 0.59 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 3fsj h MET 383 CO 0.04 0.18 0.04 -1.49 0.23 0.00 0.00 176.91 175.90 3fsj h TRP 384 N 0.27 0.25 0.00 1.39 4.06 -1.18 -2.38 115.95 118.36 3fsj h TRP 384 Ca 0.12 -0.01 -0.09 0.00 2.06 0.00 0.00 58.89 60.98 3fsj h TRP 384 Cb 0.06 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 3fsj h TRP 384 CO -0.11 0.23 -0.42 1.96 -3.56 0.00 0.00 178.44 176.54 3fsj h GLN 385 N 0.25 0.00 0.00 0.49 4.20 -1.08 -3.38 115.11 115.58 3fsj h GLN 385 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3fsj h GLN 385 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3fsj h GLN 385 CO -0.00 0.42 -0.64 0.54 -0.67 0.00 0.00 178.83 178.48 3fsj n ARG 386 N -3.24 3.06 -3.71 1.46 1.74 -0.81 -4.67 116.66 110.49 3fsj n ARG 386 Ca 0.02 -0.01 -0.37 0.00 -0.77 0.00 0.00 57.85 56.72 3fsj n ARG 386 Cb 0.67 -1.04 -0.12 0.00 -1.02 0.00 0.00 32.46 30.96 3fsj n ARG 386 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3fsj s LEU 387 N -2.67 3.64 -0.51 0.55 1.43 -0.95 -4.65 118.68 115.52 3fsj s LEU 387 Ca 0.03 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 3fsj s LEU 387 Cb 0.08 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.35 3fsj s LEU 387 CO 0.44 -0.06 1.18 0.21 0.23 0.00 0.00 176.35 178.35 3fsj s ASN 388 N 1.65 6.55 -0.44 2.29 3.04 -1.26 -4.86 114.94 121.90 3fsj s ASN 388 Ca 0.06 0.36 -0.01 0.00 0.04 0.00 0.00 52.86 53.31 3fsj s ASN 388 Cb -0.16 -2.55 0.12 0.00 -1.54 0.00 0.00 41.25 37.12 3fsj s ASN 388 CO 0.06 -1.35 0.21 -0.04 -3.04 0.00 0.00 177.10 172.94 3fsj s MET 389 N 4.67 1.98 0.12 0.43 -1.94 -1.26 -4.96 119.30 118.35 3fsj s MET 389 Ca 0.47 -2.00 0.10 0.00 -1.71 0.00 0.00 55.69 52.55 3fsj s MET 389 Cb -0.08 -3.51 -0.16 0.00 2.01 0.00 0.00 34.83 33.10 3fsj s MET 389 CO 0.30 -1.06 1.20 0.00 -0.01 0.00 0.00 175.02 175.44 3fsj h ARG 390 N 7.70 0.00 -6.22 2.03 3.08 -1.91 -2.20 114.38 116.85 3fsj h ARG 390 Ca -0.09 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.42 3fsj h ARG 390 Cb 1.02 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.99 3fsj h ARG 390 CO 0.66 0.79 -0.58 -0.80 -1.07 0.00 0.00 179.97 178.98 3fsj s ASN 391 N -6.52 5.21 1.04 7.04 0.01 -1.26 -4.50 114.94 115.96 3fsj s ASN 391 Ca 0.01 -0.33 -0.12 0.00 -0.71 0.00 0.00 52.86 51.71 3fsj s ASN 391 Cb 0.09 -1.24 0.22 0.00 0.41 0.00 0.00 41.25 40.73 3fsj s ASN 391 CO 0.81 0.01 1.08 -2.84 -1.51 0.00 0.00 177.10 174.64 3fsj s PRO 392 N -3.53 0.04 -1.46 -0.60 0.02 -1.26 -3.96 135.00 124.26 3fsj s PRO 392 Ca 0.31 1.05 -0.08 0.00 0.02 0.00 0.00 61.00 62.30 3fsj s PRO 392 Cb -0.08 -1.65 0.02 0.00 0.02 0.00 0.00 34.50 32.81 3fsj s PRO 392 CO 0.23 -3.14 0.89 0.41 -0.33 0.00 0.00 177.00 175.06 3fsj n GLY 393 N 0.26 -0.53 0.57 0.52 0.00 -1.26 -4.90 105.19 99.85 3fsj n GLY 393 Ca 0.06 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.35 3fsj n GLY 393 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fsj n SER 394 N -2.75 2.15 -3.70 1.61 7.64 -1.25 -4.81 113.62 112.50 3fsj n SER 394 Ca -0.04 -1.57 -0.11 0.00 1.01 0.00 0.00 58.87 58.16 3fsj n SER 394 Cb 0.58 0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.76 3fsj n SER 394 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3fsj s TYR 395 N -1.37 -0.59 -0.01 1.43 6.14 -1.24 -0.31 117.35 121.40 3fsj s TYR 395 Ca 0.17 1.31 0.01 0.00 0.64 0.00 0.00 57.07 59.19 3fsj s TYR 395 Cb 0.13 0.26 0.00 0.00 0.42 0.00 0.00 41.96 42.77 3fsj s TYR 395 CO 0.22 -0.32 -0.02 0.71 0.64 0.00 0.00 175.55 176.78 3fsj s TYR 396 N 1.04 0.25 -0.07 4.97 2.02 -0.62 -3.55 117.35 121.40 3fsj s TYR 396 Ca -0.07 -0.04 -0.05 0.00 -0.37 0.00 0.00 57.07 56.55 3fsj s TYR 396 Cb -0.06 -0.20 0.03 0.00 -0.40 0.00 0.00 41.96 41.32 3fsj s TYR 396 CO -0.09 -0.03 0.17 0.12 -1.57 0.00 0.00 175.55 174.16 3fsj s PHE 397 N 0.15 -0.20 -0.42 2.71 5.36 -0.57 -0.95 117.98 124.06 3fsj s PHE 397 Ca -0.01 0.52 -0.40 0.00 -0.96 0.00 0.00 56.93 56.08 3fsj s PHE 397 Cb -0.04 0.01 -0.15 0.00 -0.34 0.00 0.00 43.02 42.51 3fsj s PHE 397 CO -0.00 -0.14 2.16 0.00 -1.46 0.00 0.00 175.22 175.78 3fsj h ALA 399 N 10.65 1.11 -0.58 0.00 0.00 -1.91 -0.95 119.26 127.58 3fsj h ALA 399 Ca -0.19 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3fsj h ALA 399 Cb 1.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3fsj h ALA 399 CO 1.05 0.23 0.00 0.00 0.00 0.00 0.00 179.25 180.53 3fsj n ALA 400 N -2.24 2.29 -1.01 0.00 0.00 -1.26 -4.81 120.51 113.47 3fsj n ALA 400 Ca -0.01 -1.24 -0.00 0.00 0.00 0.00 0.00 53.44 52.19 3fsj n ALA 400 Cb 0.35 -0.73 -0.00 0.00 0.00 0.00 0.00 19.45 19.08 3fsj n ALA 400 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fsj n GLY 401 N 1.19 0.35 3.61 0.00 0.00 -0.36 -4.94 105.19 105.05 3fsj n GLY 401 Ca 0.19 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3fsj n GLY 401 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fsj s GLY 402 N -2.05 1.49 0.67 -0.02 0.00 -1.26 -5.01 107.32 101.13 3fsj s GLY 402 Ca 0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 44.72 44.23 3fsj s GLY 402 CO 0.00 2.21 1.15 1.08 0.00 0.00 0.00 173.10 177.54 3fsj s LEU 403 N 3.80 3.41 0.00 0.66 1.43 -1.26 -3.72 118.68 123.00 3fsj s LEU 403 Ca 0.43 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 3fsj s LEU 403 Cb -0.11 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.54 3fsj s LEU 403 CO 0.21 -1.83 0.00 0.61 0.23 0.00 0.00 176.35 175.57 3fsj n GLY 404 N -0.05 0.72 0.07 -3.19 0.00 -1.26 -4.91 105.19 96.57 3fsj n GLY 404 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 3fsj n GLY 404 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3fsj h PHE 405 N 0.00 0.00 -0.53 1.61 3.57 -1.92 -3.41 116.94 116.26 3fsj h PHE 405 Ca 0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3fsj h PHE 405 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3fsj h PHE 405 CO 0.00 0.72 0.05 0.00 -2.23 0.00 0.00 178.31 176.84 3fsj h ALA 406 N -0.49 1.09 0.65 2.41 0.00 -1.89 0.46 119.26 121.49 3fsj h ALA 406 Ca -0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3fsj h ALA 406 Cb 0.74 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3fsj h ALA 406 CO -0.05 0.58 -0.31 1.25 0.00 0.00 0.00 179.25 180.72 3fsj h LEU 407 N 0.81 -0.74 -0.60 0.00 6.46 -1.92 0.13 115.31 119.44 3fsj h LEU 407 Ca 0.16 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.83 3fsj h LEU 407 Cb 0.42 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 3fsj h LEU 407 CO 0.01 -0.45 0.03 1.55 -0.62 0.00 0.00 178.44 178.97 3fsj h PRO 408 N -1.01 1.04 -0.41 5.25 0.13 -1.78 -3.07 132.00 132.14 3fsj h PRO 408 Ca -0.09 -0.31 0.03 0.00 -0.87 0.00 0.00 66.00 64.76 3fsj h PRO 408 Cb 0.71 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 3fsj h PRO 408 CO 0.15 1.00 0.28 0.00 -0.23 0.00 0.00 178.00 179.20 3fsj h ALA 409 N 0.99 1.82 -0.06 -0.56 0.00 -0.85 -1.38 119.26 119.24 3fsj h ALA 409 Ca 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3fsj h ALA 409 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3fsj h ALA 409 CO 0.02 0.13 -0.22 0.00 0.00 0.00 0.00 179.25 179.18 3fsj h ALA 410 N 1.76 1.52 -0.18 0.00 0.00 -0.87 0.15 119.26 121.64 3fsj h ALA 410 Ca 0.17 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3fsj h ALA 410 Cb 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3fsj h ALA 410 CO -0.04 0.35 -0.23 0.82 0.00 0.00 0.00 179.25 180.15 3fsj h ILE 411 N 0.09 1.34 -0.59 0.00 2.04 -1.28 -1.70 117.51 117.41 3fsj h ILE 411 Ca 0.02 -1.43 -0.04 0.00 1.00 0.00 0.00 64.86 64.41 3fsj h ILE 411 Cb 0.45 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 3fsj h ILE 411 CO 0.03 0.43 0.20 1.23 0.00 0.00 0.00 178.15 180.04 3fsj h GLY 412 N 0.14 0.98 0.99 5.37 0.00 -0.93 -1.15 103.07 108.48 3fsj h GLY 412 Ca 0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3fsj h GLY 412 CO 0.06 0.54 0.30 -2.08 0.00 0.00 0.00 176.54 175.35 3fsj h VAL 413 N 0.83 1.15 -0.38 4.60 2.07 -0.76 -0.85 116.25 122.91 3fsj h VAL 413 Ca 0.19 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3fsj h VAL 413 Cb 0.27 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3fsj h VAL 413 CO -0.01 0.15 0.02 -0.61 0.02 0.00 0.00 177.57 177.14 3fsj h GLN 414 N 0.67 0.58 -0.70 1.57 5.75 -1.09 0.23 115.11 122.13 3fsj h GLN 414 Ca 0.18 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 3fsj h GLN 414 Cb -0.02 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 3fsj h GLN 414 CO -0.03 0.59 0.14 1.25 -2.65 0.00 0.00 178.83 178.13 3fsj h LEU 415 N 0.56 1.08 -0.86 -2.39 5.85 -0.88 -2.97 115.31 115.69 3fsj h LEU 415 Ca 0.12 -0.25 -0.12 0.00 0.84 0.00 0.00 57.88 58.48 3fsj h LEU 415 Cb 0.33 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3fsj h LEU 415 CO 0.01 1.05 -0.50 0.00 -0.34 0.00 0.00 178.44 178.66 3fsj h ALA 416 N 1.08 1.04 -2.23 1.25 0.00 -0.20 -3.37 119.26 116.83 3fsj h ALA 416 Ca 0.21 -0.47 -0.59 0.00 0.00 0.00 0.00 54.91 54.07 3fsj h ALA 416 Cb 0.41 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 17.71 3fsj h ALA 416 CO 0.01 0.65 -0.78 0.39 0.00 0.00 0.00 179.25 179.51 3fsj n GLU 417 N -3.95 1.72 0.32 0.00 -0.58 -0.02 -4.87 120.64 113.26 3fsj n GLU 417 Ca -0.02 -4.09 0.22 0.00 -0.42 0.00 0.00 57.16 52.85 3fsj n GLU 417 Cb 0.53 -1.88 1.12 0.00 -0.57 0.00 0.00 31.44 30.64 3fsj n GLU 417 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3fsj h PRO 418 N 4.33 0.00 -0.21 3.49 0.13 -1.70 -2.17 132.00 135.87 3fsj h PRO 418 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3fsj h PRO 418 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3fsj h PRO 418 CO 0.67 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.83 3fsj n GLU 419 N -3.06 2.35 -4.20 0.86 1.02 -1.26 -4.85 120.64 111.50 3fsj n GLU 419 Ca -0.02 -2.08 -0.34 0.00 -0.02 0.00 0.00 57.16 54.70 3fsj n GLU 419 Cb 0.11 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 29.91 3fsj n GLU 419 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3fsj s ARG 420 N -1.68 3.22 -0.08 3.49 0.52 -0.82 -5.04 118.95 118.56 3fsj s ARG 420 Ca 0.33 -0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 54.52 3fsj s ARG 420 Cb 0.21 -2.75 -0.05 0.00 0.52 0.00 0.00 34.95 32.88 3fsj s ARG 420 CO 0.30 -0.11 1.57 -1.14 0.02 0.00 0.00 175.30 175.93 3fsj s GLN 421 N 1.16 4.19 -0.08 3.54 2.00 -1.26 -4.76 119.66 124.45 3fsj s GLN 421 Ca 0.01 2.08 -0.17 0.00 -2.00 0.00 0.00 55.36 55.28 3fsj s GLN 421 Cb -0.14 -3.94 -0.05 0.00 0.80 0.00 0.00 33.01 29.68 3fsj s GLN 421 CO -0.05 -0.82 0.46 0.08 -0.50 0.00 0.00 175.29 174.47 3fsj s VAL 422 N 3.92 5.13 -0.21 1.34 1.01 -1.26 -0.99 120.40 129.35 3fsj s VAL 422 Ca 0.69 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.60 3fsj s VAL 422 Cb -0.31 -3.80 0.06 0.00 0.00 0.00 0.00 36.38 32.33 3fsj s VAL 422 CO 0.26 0.40 -0.02 -0.63 0.00 0.00 0.00 175.10 175.11 3fsj s ILE 423 N 0.15 1.09 -0.25 2.22 1.01 0.45 -1.43 121.20 124.44 3fsj s ILE 423 Ca 0.25 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 59.90 3fsj s ILE 423 Cb -0.16 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 3fsj s ILE 423 CO 0.11 -0.09 0.30 0.00 0.00 0.00 0.00 174.94 175.26 3fsj s ALA 424 N 1.60 3.57 -0.35 9.38 0.00 0.27 -1.68 121.76 134.56 3fsj s ALA 424 Ca -0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 3fsj s ALA 424 Cb -0.18 -2.56 0.02 0.00 0.00 0.00 0.00 23.12 20.41 3fsj s ALA 424 CO -0.07 -0.45 0.17 0.08 0.00 0.00 0.00 175.76 175.48 3fsj s VAL 425 N 1.61 4.37 -0.05 0.00 1.01 0.29 0.28 120.40 127.91 3fsj s VAL 425 Ca 0.13 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3fsj s VAL 425 Cb -0.15 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.85 3fsj s VAL 425 CO 0.08 -0.15 -0.08 -0.63 0.00 0.00 0.00 175.10 174.32 3fsj s ILE 426 N 1.53 0.80 0.78 2.22 1.01 0.03 -0.62 121.20 126.96 3fsj s ILE 426 Ca 0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 3fsj s ILE 426 Cb -0.19 -0.76 0.07 0.00 0.01 0.00 0.00 42.46 41.59 3fsj s ILE 426 CO 0.05 0.28 1.11 -0.83 0.00 0.00 0.00 174.94 175.55 3fsj s GLY 427 N 0.68 1.77 0.41 6.18 0.00 0.01 -0.65 107.32 115.73 3fsj s GLY 427 Ca -0.11 0.39 0.08 0.00 0.00 0.00 0.00 44.72 45.08 3fsj s GLY 427 CO 0.02 0.76 2.02 1.29 0.00 0.00 0.00 173.10 177.18 3fsj h ASP 428 N -1.08 0.36 0.19 1.64 2.03 -1.61 -0.84 116.42 117.11 3fsj h ASP 428 Ca -0.44 -0.03 -0.01 0.00 -0.73 0.00 0.00 57.03 55.82 3fsj h ASP 428 Cb 1.24 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 3fsj h ASP 428 CO 0.50 0.33 -0.09 1.23 -1.03 0.00 0.00 179.24 180.18 3fsj h GLY 429 N 0.55 -0.27 1.80 7.15 0.00 -1.87 -3.28 103.07 107.16 3fsj h GLY 429 Ca 0.10 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 3fsj h GLY 429 CO -0.01 -0.10 0.12 1.76 0.00 0.00 0.00 176.54 178.31 3fsj h SER 430 N -0.65 0.23 -0.09 0.19 0.02 -1.77 -2.90 113.55 108.58 3fsj h SER 430 Ca -0.03 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3fsj h SER 430 Cb 0.47 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 3fsj h SER 430 CO 0.04 0.18 0.08 0.00 -1.14 0.00 0.00 176.83 175.99 3fsj h ALA 431 N 1.86 1.91 0.00 3.77 0.00 -1.21 -2.84 119.26 122.74 3fsj h ALA 431 Ca 0.07 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3fsj h ALA 431 Cb -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3fsj h ALA 431 CO -0.01 -0.12 -0.70 -0.91 0.00 0.00 0.00 179.25 177.51 3fsj h ASN 432 N 0.00 0.00 -0.67 0.00 2.35 -1.67 -3.15 115.58 112.44 3fsj h ASN 432 Ca 0.04 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.86 3fsj h ASN 432 Cb 0.19 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 3fsj h ASN 432 CO -0.00 0.70 0.36 1.88 -1.65 0.00 0.00 177.43 178.72 3fsj h TYR 433 N 0.00 0.66 -0.73 1.19 -1.99 -1.69 -2.92 116.97 111.50 3fsj h TYR 433 Ca -0.01 0.03 -0.47 0.00 2.00 0.00 0.00 58.73 60.28 3fsj h TYR 433 Cb 1.36 -0.20 -0.42 0.00 2.00 0.00 0.00 36.73 39.47 3fsj h TYR 433 CO 0.00 0.30 -0.90 0.43 -0.00 0.00 0.00 178.16 177.99 3fsj n SER 434 N -4.81 3.93 -0.10 3.88 7.64 -1.26 -4.89 113.62 118.02 3fsj n SER 434 Ca 0.09 -3.27 0.08 0.00 1.01 0.00 0.00 58.87 56.79 3fsj n SER 434 Cb 0.19 -0.39 0.44 0.00 -1.01 0.00 0.00 64.21 63.44 3fsj n SER 434 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3fsj h ILE 435 N 3.13 0.98 0.00 0.44 6.09 -1.46 -1.96 117.51 124.72 3fsj h ILE 435 Ca 0.22 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.52 3fsj h ILE 435 Cb 1.41 0.38 0.00 0.00 0.47 0.00 0.00 36.82 39.08 3fsj h ILE 435 CO 0.61 0.10 0.00 -1.54 -3.07 0.00 0.00 178.15 174.25 3fsj n SER 436 N -4.48 0.52 0.26 2.19 3.41 -1.26 -2.19 113.62 112.06 3fsj n SER 436 Ca 0.09 0.65 0.14 0.00 -0.26 0.00 0.00 58.87 59.49 3fsj n SER 436 Cb 0.26 -0.75 0.83 0.00 -0.26 0.00 0.00 64.21 64.29 3fsj n SER 436 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fsj h ALA 437 N 2.25 1.73 -1.00 7.33 0.00 -1.74 -2.24 119.26 125.58 3fsj h ALA 437 Ca 0.00 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.13 3fsj h ALA 437 Cb 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 3fsj h ALA 437 CO 0.00 -0.10 0.62 -0.07 0.00 0.00 0.00 179.25 179.70 3fsj h LEU 438 N 0.00 0.62 -1.16 0.00 3.38 -1.66 -1.05 115.31 115.44 3fsj h LEU 438 Ca 0.03 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.14 3fsj h LEU 438 Cb 0.16 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3fsj h LEU 438 CO -0.00 0.18 0.58 -0.25 0.09 0.00 0.00 178.44 179.04 3fsj h TRP 439 N 0.58 1.05 -0.68 1.13 7.01 -1.57 -1.92 115.95 121.55 3fsj h TRP 439 Ca 0.58 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.55 3fsj h TRP 439 Cb 1.16 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 27.84 3fsj h TRP 439 CO -0.00 0.58 0.21 1.15 -2.79 0.00 0.00 178.44 177.59 3fsj h THR 440 N 1.06 1.25 -0.67 2.65 2.02 -1.36 0.59 112.91 118.45 3fsj h THR 440 Ca 0.36 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.67 3fsj h THR 440 Cb 0.10 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 3fsj h THR 440 CO -0.12 0.34 0.44 0.00 0.37 0.00 0.00 175.52 176.55 3fsj h ALA 441 N 1.09 0.86 -0.05 6.16 0.00 -1.36 -2.09 119.26 123.87 3fsj h ALA 441 Ca 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3fsj h ALA 441 Cb 0.31 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3fsj h ALA 441 CO -0.01 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3fsj h ALA 442 N 1.25 0.07 -0.86 0.00 0.00 -0.93 -0.65 119.26 118.15 3fsj h ALA 442 Ca 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3fsj h ALA 442 Cb -0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3fsj h ALA 442 CO -0.06 -0.27 0.47 1.96 0.00 0.00 0.00 179.25 181.34 3fsj h GLN 443 N -0.19 1.19 -0.33 0.00 1.08 -0.78 -2.63 115.11 113.45 3fsj h GLN 443 Ca 0.01 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3fsj h GLN 443 Cb 0.31 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 3fsj h GLN 443 CO 0.00 0.88 0.00 0.66 -0.95 0.00 0.00 178.83 179.42 3fsj n TYR 444 N -4.37 0.42 -3.90 2.96 4.01 -0.80 -4.97 117.16 110.52 3fsj n TYR 444 Ca 0.09 -0.21 -0.27 0.00 -0.16 0.00 0.00 57.90 57.35 3fsj n TYR 444 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 3fsj n TYR 444 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3fsj n ASN 445 N 1.46 -1.30 -4.53 7.72 5.15 -0.50 -4.95 115.26 118.31 3fsj n ASN 445 Ca 0.19 -1.01 -0.43 0.00 -0.60 0.00 0.00 54.58 52.73 3fsj n ASN 445 Cb 0.60 -3.11 -0.06 0.00 -0.53 0.00 0.00 39.78 36.68 3fsj n ASN 445 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3fsj s ILE 446 N -3.85 4.80 -0.02 -1.44 1.01 -0.37 -4.84 121.20 116.48 3fsj s ILE 446 Ca 0.10 0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.96 3fsj s ILE 446 Cb -0.04 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 38.12 3fsj s ILE 446 CO 0.88 -0.58 2.67 -0.81 0.00 0.00 0.00 174.94 177.10 3fsj n PRO 447 N 6.32 1.46 -1.92 2.79 -0.04 -1.26 -3.95 135.00 138.40 3fsj n PRO 447 Ca -0.01 -0.51 -0.40 0.00 -0.04 0.00 0.00 63.50 62.54 3fsj n PRO 447 Cb 0.48 -1.45 -0.00 0.00 -0.04 0.00 0.00 33.50 32.49 3fsj n PRO 447 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3fsj s THR 448 N 0.27 2.31 -0.21 0.52 2.01 -1.26 -4.57 115.64 114.72 3fsj s THR 448 Ca 0.29 0.30 -0.09 0.00 0.31 0.00 0.00 61.69 62.50 3fsj s THR 448 Cb 0.14 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 3fsj s THR 448 CO -0.01 0.06 0.11 -0.63 -0.69 0.00 0.00 174.62 173.47 3fsj s ILE 449 N -1.17 5.13 -0.22 1.82 1.01 -0.51 -1.99 121.20 125.26 3fsj s ILE 449 Ca 0.55 0.09 -0.04 0.00 0.00 0.00 0.00 60.65 61.25 3fsj s ILE 449 Cb -0.43 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 3fsj s ILE 449 CO 0.56 0.41 -0.03 -0.36 0.00 0.00 0.00 174.94 175.53 3fsj s PHE 450 N 0.63 2.97 -0.34 3.97 0.08 0.29 -0.56 117.98 125.01 3fsj s PHE 450 Ca 0.06 -0.88 -0.07 0.00 0.12 0.00 0.00 56.93 56.16 3fsj s PHE 450 Cb -0.12 -2.11 0.03 0.00 -0.57 0.00 0.00 43.02 40.25 3fsj s PHE 450 CO 0.01 -0.52 0.12 0.08 -0.10 0.00 0.00 175.22 174.81 3fsj s VAL 451 N 1.47 3.98 -0.31 -0.44 1.01 0.14 -0.36 120.40 125.90 3fsj s VAL 451 Ca 0.06 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 3fsj s VAL 451 Cb -0.14 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 3fsj s VAL 451 CO -0.02 -0.16 0.44 -0.63 0.00 0.00 0.00 175.10 174.73 3fsj s ILE 452 N 1.45 5.11 -0.69 2.22 -1.09 0.30 -0.79 121.20 127.71 3fsj s ILE 452 Ca -0.00 0.46 -0.23 0.00 -2.23 0.00 0.00 60.65 58.65 3fsj s ILE 452 Cb -0.19 -3.82 0.07 0.00 -1.58 0.00 0.00 42.46 36.93 3fsj s ILE 452 CO 0.04 -0.01 1.02 -0.04 -1.23 0.00 0.00 174.94 174.71 3fsj s MET 453 N 2.20 3.15 -0.51 2.79 -1.94 0.18 -0.44 119.30 124.73 3fsj s MET 453 Ca 0.17 -0.83 -0.14 0.00 -1.71 0.00 0.00 55.69 53.17 3fsj s MET 453 Cb -0.16 -4.28 0.11 0.00 2.01 0.00 0.00 34.83 32.51 3fsj s MET 453 CO 0.11 -1.86 0.44 1.21 -0.01 0.00 0.00 175.02 174.91 3fsj s ASN 454 N 3.71 6.08 0.00 3.03 2.47 0.52 -1.53 114.94 129.22 3fsj s ASN 454 Ca 0.24 -1.68 0.05 0.00 0.42 0.00 0.00 52.86 51.89 3fsj s ASN 454 Cb -0.15 -2.16 0.12 0.00 -1.45 0.00 0.00 41.25 37.60 3fsj s ASN 454 CO 0.09 -0.77 1.00 -0.46 -3.72 0.00 0.00 177.10 173.24 3fsj n ASN 455 N 5.17 2.16 0.00 -4.21 0.23 -1.26 -1.29 115.26 116.06 3fsj n ASN 455 Ca -0.13 -1.79 0.00 0.00 -0.53 0.00 0.00 54.58 52.14 3fsj n ASN 455 Cb 0.41 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 3fsj n ASN 455 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fsj n GLY 456 N 0.06 0.58 3.20 4.83 0.00 -1.26 -4.67 105.19 107.93 3fsj n GLY 456 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 3fsj n GLY 456 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fsj s THR 457 N -2.49 0.14 -1.24 2.61 -1.32 -1.26 -1.02 115.64 111.05 3fsj s THR 457 Ca 0.00 -1.15 -0.19 0.00 -1.21 0.00 0.00 61.69 59.14 3fsj s THR 457 Cb 0.00 -1.28 0.07 0.00 -1.51 0.00 0.00 72.50 69.78 3fsj s THR 457 CO 0.00 -0.63 1.67 -0.31 -2.21 0.00 0.00 174.62 173.14 3fsj s TYR 458 N -3.66 2.76 0.20 9.09 2.02 0.26 -4.61 117.35 123.41 3fsj s TYR 458 Ca 0.03 -1.50 -0.11 0.00 -0.37 0.00 0.00 57.07 55.12 3fsj s TYR 458 Cb 0.04 -4.73 0.19 0.00 -0.40 0.00 0.00 41.96 37.06 3fsj s TYR 458 CO -0.10 -1.82 1.80 0.78 -1.57 0.00 0.00 175.55 174.64 3fsj h GLY 459 N 12.49 0.85 1.58 0.71 0.00 -1.97 -2.13 103.07 114.60 3fsj h GLY 459 Ca 0.40 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 3fsj h GLY 459 CO 1.44 0.14 0.09 0.00 0.00 0.00 0.00 176.54 178.21 3fsj h ALA 460 N 1.31 1.47 -0.20 3.60 0.00 -1.89 -1.95 119.26 121.60 3fsj h ALA 460 Ca 0.26 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3fsj h ALA 460 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3fsj h ALA 460 CO -0.17 0.39 -0.53 -0.07 0.00 0.00 0.00 179.25 178.88 3fsj h LEU 461 N 0.53 0.64 -1.05 0.00 3.38 -1.82 -1.20 115.31 115.79 3fsj h LEU 461 Ca 0.12 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3fsj h LEU 461 Cb 0.21 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3fsj h LEU 461 CO -0.00 1.04 0.39 0.03 0.09 0.00 0.00 178.44 179.99 3fsj h ARG 462 N 0.45 1.06 -0.05 1.13 3.08 -0.94 -0.75 114.38 118.35 3fsj h ARG 462 Ca 0.01 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3fsj h ARG 462 Cb 1.07 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 3fsj h ARG 462 CO 0.10 0.79 -0.03 2.35 -1.07 0.00 0.00 179.97 182.11 3fsj h TRP 463 N 1.06 0.12 -0.56 3.04 7.01 -1.10 -1.20 115.95 124.32 3fsj h TRP 463 Ca 0.26 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 3fsj h TRP 463 Cb 0.06 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 3fsj h TRP 463 CO 0.01 0.52 0.30 0.74 -2.79 0.00 0.00 178.44 177.22 3fsj h PHE 464 N -0.31 0.75 -0.40 2.65 0.04 -1.17 -1.70 116.94 116.81 3fsj h PHE 464 Ca 0.01 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.68 3fsj h PHE 464 Cb 0.49 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 3fsj h PHE 464 CO 0.08 0.53 -0.15 0.00 -0.60 0.00 0.00 178.31 178.17 3fsj h ALA 465 N 1.56 1.00 -0.39 2.45 0.00 -1.10 -2.11 119.26 120.67 3fsj h ALA 465 Ca 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3fsj h ALA 465 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3fsj h ALA 465 CO -0.03 0.59 0.24 0.78 0.00 0.00 0.00 179.25 180.84 3fsj h GLY 466 N 0.98 0.55 2.00 0.00 0.00 -0.36 0.16 103.07 106.40 3fsj h GLY 466 Ca 0.11 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 3fsj h GLY 466 CO 0.04 0.22 -0.45 -0.39 0.00 0.00 0.00 176.54 175.95 3fsj h VAL 467 N 0.51 1.12 0.00 4.60 -1.51 -1.24 -2.33 116.25 117.40 3fsj h VAL 467 Ca 0.14 -1.67 0.00 0.00 -1.23 0.00 0.00 66.70 63.94 3fsj h VAL 467 Cb -0.02 1.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3fsj h VAL 467 CO -0.03 0.44 0.00 0.18 -1.23 0.00 0.00 177.57 176.94 3fsj n LEU 468 N -3.70 0.76 -2.08 4.19 4.77 -0.80 -4.92 117.00 115.21 3fsj n LEU 468 Ca -0.01 0.58 -0.17 0.00 -0.03 0.00 0.00 56.01 56.38 3fsj n LEU 468 Cb 0.53 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3fsj n LEU 468 CO 0.39 -0.19 -0.12 1.21 -1.33 0.00 0.00 177.39 177.35 3fsj n GLU 469 N -2.21 -2.38 -2.86 3.23 2.13 -0.51 -4.96 120.64 113.07 3fsj n GLU 469 Ca 0.05 0.75 -0.42 0.00 0.66 0.00 0.00 57.16 58.21 3fsj n GLU 469 Cb 0.41 -5.17 -0.04 0.00 0.27 0.00 0.00 31.44 26.91 3fsj n GLU 469 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3fsj s ALA 470 N -2.91 3.43 0.32 4.31 0.00 -0.07 -5.03 121.76 121.81 3fsj s ALA 470 Ca 0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 3fsj s ALA 470 Cb -0.04 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3fsj s ALA 470 CO 0.13 -1.53 0.54 -1.21 0.00 0.00 0.00 175.76 173.69 3fsj s GLU 471 N 3.32 3.53 -1.43 0.00 2.02 -1.26 -4.61 118.70 120.26 3fsj s GLU 471 Ca 0.36 -0.22 -0.09 0.00 0.02 0.00 0.00 54.97 55.04 3fsj s GLU 471 Cb -0.12 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 31.47 3fsj s GLU 471 CO 0.18 0.18 1.01 0.09 0.02 0.00 0.00 175.26 176.73 3fsj n ASN 472 N -1.45 -5.95 -4.67 -0.19 3.02 -1.26 -4.97 115.26 99.78 3fsj n ASN 472 Ca -0.04 -0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 53.57 3fsj n ASN 472 Cb 0.55 -4.72 -0.04 0.00 -0.61 0.00 0.00 39.78 34.96 3fsj n ASN 472 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3fsj s VAL 473 N -3.27 4.84 0.69 2.41 1.01 -1.26 -5.06 120.40 119.76 3fsj s VAL 473 Ca 0.54 1.73 -0.10 0.00 0.00 0.00 0.00 61.98 64.15 3fsj s VAL 473 Cb -0.25 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 31.97 3fsj s VAL 473 CO 0.67 -0.01 1.06 -2.16 0.00 0.00 0.00 175.10 174.66 3fsj s PRO 474 N 2.30 2.74 -0.57 2.72 0.04 -1.26 -4.56 135.00 136.41 3fsj s PRO 474 Ca 0.40 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.73 3fsj s PRO 474 Cb -0.17 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3fsj s PRO 474 CO 0.12 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.53 3fsj n GLY 475 N -2.95 0.67 0.01 0.56 0.00 -1.26 -4.92 105.19 97.29 3fsj n GLY 475 Ca 0.07 -0.78 0.11 0.00 0.00 0.00 0.00 46.02 45.42 3fsj n GLY 475 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fsj n LEU 476 N -0.67 0.66 -4.57 0.99 4.77 -1.26 -4.92 117.00 112.01 3fsj n LEU 476 Ca -0.06 -0.13 -0.33 0.00 -0.03 0.00 0.00 56.01 55.47 3fsj n LEU 476 Cb 0.26 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.09 3fsj n LEU 476 CO 0.08 0.13 -0.40 -1.81 -1.33 0.00 0.00 177.39 174.07 3fsj s ASP 477 N -3.29 4.51 -0.47 -1.43 1.01 -1.26 -0.57 116.67 115.18 3fsj s ASP 477 Ca 0.08 -0.10 0.08 0.00 0.71 0.00 0.00 52.55 53.32 3fsj s ASP 477 Cb 0.16 -1.07 0.38 0.00 1.01 0.00 0.00 42.92 43.40 3fsj s ASP 477 CO 0.77 0.33 0.94 1.33 0.21 0.00 0.00 175.17 178.75 3fsj n VAL 478 N 1.99 1.92 -1.24 -1.27 0.24 -0.19 -4.93 118.33 114.85 3fsj n VAL 478 Ca -0.17 -4.89 -0.31 0.00 -2.04 0.00 0.00 64.34 56.93 3fsj n VAL 478 Cb 0.53 -0.85 0.10 0.00 -1.47 0.00 0.00 33.84 32.15 3fsj n VAL 478 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3fsj s PRO 479 N -3.21 1.99 0.00 7.34 0.04 -1.24 -4.43 135.00 135.49 3fsj s PRO 479 Ca 0.44 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.56 3fsj s PRO 479 Cb 0.35 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 33.01 3fsj s PRO 479 CO -0.12 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.53 3fsj n GLY 480 N -1.19 0.62 3.30 0.56 0.00 -1.26 -5.04 105.19 102.19 3fsj n GLY 480 Ca 0.09 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 3fsj n GLY 480 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fsj s ILE 481 N -2.26 3.10 -0.53 -0.61 1.01 -1.26 -5.08 121.20 115.57 3fsj s ILE 481 Ca 0.00 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 3fsj s ILE 481 Cb 0.00 -2.37 0.13 0.00 0.01 0.00 0.00 42.46 40.23 3fsj s ILE 481 CO 0.00 0.47 0.48 -0.62 0.00 0.00 0.00 174.94 175.27 3fsj s ASP 482 N 1.10 6.13 0.36 3.58 -1.08 -1.26 -4.94 116.67 120.55 3fsj s ASP 482 Ca 0.01 -1.79 0.18 0.00 -0.52 0.00 0.00 52.55 50.42 3fsj s ASP 482 Cb -0.15 -2.18 0.58 0.00 -1.46 0.00 0.00 42.92 39.71 3fsj s ASP 482 CO -0.02 -0.83 1.68 -0.26 0.52 0.00 0.00 175.17 176.26 3fsj h PHE 483 N 8.83 0.00 -0.65 -5.34 0.04 -1.99 -2.26 116.94 115.58 3fsj h PHE 483 Ca -0.29 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.39 3fsj h PHE 483 Cb 1.10 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.22 3fsj h PHE 483 CO 0.72 0.40 0.06 0.00 -0.60 0.00 0.00 178.31 178.88 3fsj h ARG 484 N 0.00 1.10 -0.57 1.51 3.08 -1.92 -1.12 114.38 116.46 3fsj h ARG 484 Ca -0.00 -0.32 -0.11 0.00 0.07 0.00 0.00 59.98 59.62 3fsj h ARG 484 Cb 0.98 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 3fsj h ARG 484 CO 0.05 1.03 -0.06 0.00 -1.07 0.00 0.00 179.97 179.92 3fsj h ALA 485 N 1.03 0.78 -0.49 0.04 0.00 -1.90 -0.68 119.26 118.04 3fsj h ALA 485 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3fsj h ALA 485 Cb 0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3fsj h ALA 485 CO 0.02 0.66 0.31 -0.07 0.00 0.00 0.00 179.25 180.18 3fsj h LEU 486 N 0.94 0.57 -0.31 0.00 3.38 -1.28 0.11 115.31 118.72 3fsj h LEU 486 Ca 0.15 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3fsj h LEU 486 Cb 0.63 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3fsj h LEU 486 CO 0.04 0.43 0.16 0.00 0.09 0.00 0.00 178.44 179.16 3fsj h ALA 487 N 1.16 0.38 -0.71 1.53 0.00 -1.04 -2.09 119.26 118.50 3fsj h ALA 487 Ca 0.18 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3fsj h ALA 487 Cb -0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3fsj h ALA 487 CO -0.04 -0.22 0.42 -0.22 0.00 0.00 0.00 179.25 179.19 3fsj h LYS 488 N 0.33 0.76 -0.99 0.00 3.64 -0.83 0.23 116.57 119.71 3fsj h LYS 488 Ca 0.13 -0.05 0.19 0.00 -1.27 0.00 0.00 60.65 59.65 3fsj h LYS 488 Cb 0.04 -0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 31.59 3fsj h LYS 488 CO -0.09 0.51 0.61 0.78 -2.27 0.00 0.00 179.45 178.99 3fsj h GLY 489 N 0.79 1.66 -2.22 5.01 0.00 -0.13 -1.89 103.07 106.29 3fsj h GLY 489 Ca 0.31 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3fsj h GLY 489 CO -0.16 -0.04 0.00 -1.72 0.00 0.00 0.00 176.54 174.62 3fsj n TYR 490 N -4.72 0.66 -0.69 5.60 4.01 -0.74 -4.97 117.16 116.31 3fsj n TYR 490 Ca 0.23 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3fsj n TYR 490 Cb 0.58 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 3fsj n TYR 490 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fsj n GLY 491 N 1.34 0.58 3.65 2.72 0.00 -0.24 -4.24 105.19 109.00 3fsj n GLY 491 Ca 0.19 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 3fsj n GLY 491 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fsj s VAL 492 N -2.00 4.79 0.26 1.61 1.01 -0.10 -4.81 120.40 121.16 3fsj s VAL 492 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 3fsj s VAL 492 Cb 0.00 -3.14 -0.13 0.00 0.00 0.00 0.00 36.38 33.11 3fsj s VAL 492 CO 0.00 0.48 1.32 1.67 0.00 0.00 0.00 175.10 178.58 3fsj n GLN 493 N 3.32 1.90 -4.68 2.72 7.27 -1.23 -3.71 117.38 122.97 3fsj n GLN 493 Ca -0.17 0.67 -0.24 0.00 0.07 0.00 0.00 57.00 57.34 3fsj n GLN 493 Cb 0.52 -2.27 -0.16 0.00 2.41 0.00 0.00 30.24 30.74 3fsj n GLN 493 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3fsj s ALA 494 N -0.37 1.27 0.14 1.69 0.00 -1.26 -0.80 121.76 122.43 3fsj s ALA 494 Ca 0.65 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.08 3fsj s ALA 494 Cb -0.66 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 3fsj s ALA 494 CO 0.53 0.25 -0.11 -0.51 0.00 0.00 0.00 175.76 175.92 3fsj s LEU 495 N -0.03 2.49 -0.02 0.00 1.43 0.39 -4.97 118.68 117.97 3fsj s LEU 495 Ca -0.01 -0.94 0.05 0.00 -1.03 0.00 0.00 54.13 52.19 3fsj s LEU 495 Cb -0.09 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.72 3fsj s LEU 495 CO 0.01 -0.28 -0.16 -0.75 0.23 0.00 0.00 176.35 175.40 3fsj s LYS 496 N -3.39 1.36 -0.27 1.70 2.20 -1.26 -0.78 119.74 119.30 3fsj s LYS 496 Ca 0.14 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 55.19 3fsj s LYS 496 Cb 0.00 -1.29 0.08 0.00 -1.51 0.00 0.00 37.83 35.11 3fsj s LYS 496 CO 0.01 0.32 0.01 0.00 -0.36 0.00 0.00 175.35 175.33 3fsj s ALA 497 N -0.29 2.03 -0.85 3.13 0.00 0.39 -4.84 121.76 121.34 3fsj s ALA 497 Ca 0.04 -1.66 0.23 0.00 0.00 0.00 0.00 51.96 50.58 3fsj s ALA 497 Cb -0.07 -1.58 0.20 0.00 0.00 0.00 0.00 23.12 21.67 3fsj s ALA 497 CO -0.00 -1.41 1.18 -0.25 0.00 0.00 0.00 175.76 175.28 3fsj n ASP 498 N 4.63 0.65 -3.14 0.00 8.00 -1.26 -1.01 116.55 124.42 3fsj n ASP 498 Ca -0.06 -0.37 -0.11 0.00 0.71 0.00 0.00 54.79 54.96 3fsj n ASP 498 Cb 0.43 0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 42.10 3fsj n ASP 498 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3fsj s ASN 499 N -3.37 0.38 0.16 -2.24 2.20 -1.26 -3.80 114.94 107.01 3fsj s ASN 499 Ca 0.08 -1.26 -0.13 0.00 -0.94 0.00 0.00 52.86 50.61 3fsj s ASN 499 Cb 0.16 0.76 0.05 0.00 -2.00 0.00 0.00 41.25 40.21 3fsj s ASN 499 CO 0.77 -1.49 1.69 0.25 -2.94 0.00 0.00 177.10 175.37 3fsj h LEU 500 N 2.05 0.77 -0.50 3.54 5.85 -1.86 -0.05 115.31 125.12 3fsj h LEU 500 Ca -0.30 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.29 3fsj h LEU 500 Cb 1.25 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 3fsj h LEU 500 CO 0.39 0.77 0.17 -0.08 -0.34 0.00 0.00 178.44 179.35 3fsj h GLU 501 N 0.74 0.33 -0.14 1.25 4.81 -1.97 -0.80 114.58 118.80 3fsj h GLU 501 Ca 0.17 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 3fsj h GLU 501 Cb 0.27 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3fsj h GLU 501 CO -0.01 0.22 -0.46 1.96 -0.73 0.00 0.00 179.01 179.99 3fsj h GLN 502 N 0.34 0.35 -0.21 1.92 4.20 -1.85 -2.10 115.11 117.75 3fsj h GLN 502 Ca 0.24 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3fsj h GLN 502 Cb 0.27 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3fsj h GLN 502 CO -0.26 0.74 0.11 1.25 -0.67 0.00 0.00 178.83 180.01 3fsj h LEU 503 N 0.29 0.27 -0.39 1.46 5.85 -0.27 0.65 115.31 123.16 3fsj h LEU 503 Ca 0.02 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3fsj h LEU 503 Cb 0.92 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3fsj h LEU 503 CO 0.08 0.29 0.19 0.11 -0.34 0.00 0.00 178.44 178.76 3fsj h LYS 504 N 0.23 0.56 -0.59 1.25 1.57 -1.08 -0.22 116.57 118.29 3fsj h LYS 504 Ca 0.07 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3fsj h LYS 504 Cb 0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3fsj h LYS 504 CO -0.01 0.49 0.39 0.78 -0.57 0.00 0.00 179.45 180.52 3fsj h GLY 505 N 0.49 0.83 1.00 3.86 0.00 -1.26 -0.89 103.07 107.09 3fsj h GLY 505 Ca 0.13 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 3fsj h GLY 505 CO -0.02 0.30 0.05 1.76 0.00 0.00 0.00 176.54 178.63 3fsj h SER 506 N 0.79 0.83 -0.53 0.19 0.02 -0.66 -1.92 113.55 112.28 3fsj h SER 506 Ca 0.22 -0.28 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 3fsj h SER 506 Cb -0.08 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 3fsj h SER 506 CO -0.05 0.90 0.03 -0.07 -1.14 0.00 0.00 176.83 176.50 3fsj h LEU 507 N 0.73 0.92 -0.54 5.07 3.38 -0.85 0.43 115.31 124.45 3fsj h LEU 507 Ca 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3fsj h LEU 507 Cb 0.45 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3fsj h LEU 507 CO 0.02 0.96 0.32 -0.61 0.09 0.00 0.00 178.44 179.22 3fsj h GLN 508 N 0.88 0.73 -0.29 1.13 4.15 -0.99 0.04 115.11 120.75 3fsj h GLN 508 Ca 0.17 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 3fsj h GLN 508 Cb 0.48 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 3fsj h GLN 508 CO 0.02 0.53 0.01 1.49 -1.93 0.00 0.00 178.83 178.95 3fsj h GLU 509 N 0.72 0.51 -0.53 1.69 4.81 -1.08 -2.71 114.58 117.99 3fsj h GLU 509 Ca 0.19 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3fsj h GLU 509 Cb -0.01 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 3fsj h GLU 509 CO -0.04 0.65 0.29 0.00 -0.73 0.00 0.00 179.01 179.18 3fsj h ALA 510 N 0.84 0.69 0.00 2.92 0.00 -0.69 -1.82 119.26 121.20 3fsj h ALA 510 Ca 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3fsj h ALA 510 Cb 0.42 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3fsj h ALA 510 CO 0.01 0.21 -0.13 -0.07 0.00 0.00 0.00 179.25 179.28 3fsj h LEU 511 N 0.72 0.00 0.00 0.00 3.38 -0.98 -2.43 115.31 115.99 3fsj h LEU 511 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3fsj h LEU 511 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3fsj h LEU 511 CO -0.03 0.13 -0.61 -1.20 0.09 0.00 0.00 178.44 176.82 3fsj n SER 512 N -3.45 0.58 -4.80 -0.43 7.64 -0.95 -4.98 113.62 107.22 3fsj n SER 512 Ca -0.01 -0.29 -0.31 0.00 1.01 0.00 0.00 58.87 59.26 3fsj n SER 512 Cb 0.29 0.37 0.05 0.00 -1.01 0.00 0.00 64.21 63.92 3fsj n SER 512 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fsj s ALA 513 N -3.03 2.58 -2.88 -0.43 0.00 -0.73 -4.98 121.76 112.30 3fsj s ALA 513 Ca 0.10 0.18 0.23 0.00 0.00 0.00 0.00 51.96 52.47 3fsj s ALA 513 Cb 0.17 -3.21 0.19 0.00 0.00 0.00 0.00 23.12 20.27 3fsj s ALA 513 CO 0.73 -1.30 1.24 1.63 0.00 0.00 0.00 175.76 178.06 3fsj n LYS 514 N -3.06 2.23 -3.09 0.00 4.76 -1.26 -4.99 118.16 112.75 3fsj n LYS 514 Ca 0.08 -1.90 -0.10 0.00 -2.87 0.00 0.00 58.31 53.52 3fsj n LYS 514 Cb 0.53 -1.45 -0.04 0.00 -1.84 0.00 0.00 35.03 32.24 3fsj n LYS 514 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fsj n GLY 515 N 1.31 3.43 3.76 0.72 0.00 -1.26 -4.83 105.19 108.33 3fsj n GLY 515 Ca 0.14 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 3fsj n GLY 515 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fsj s PRO 516 N -2.66 3.03 -0.01 1.61 0.04 -1.25 -4.68 135.00 131.08 3fsj s PRO 516 Ca 0.20 1.80 -0.00 0.00 0.04 0.00 0.00 61.00 63.04 3fsj s PRO 516 Cb 0.01 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.61 3fsj s PRO 516 CO 0.14 -1.15 0.01 0.08 0.04 0.00 0.00 177.00 176.12 3fsj s VAL 517 N -1.61 -0.02 -0.15 -0.36 1.01 -0.84 -3.57 120.40 114.87 3fsj s VAL 517 Ca 0.77 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.79 3fsj s VAL 517 Cb -0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 3fsj s VAL 517 CO 0.32 0.03 -0.06 -0.22 0.00 0.00 0.00 175.10 175.17 3fsj s LEU 518 N 0.34 3.12 -0.21 3.92 0.20 0.02 -0.55 118.68 125.52 3fsj s LEU 518 Ca -0.03 -0.17 -0.02 0.00 0.69 0.00 0.00 54.13 54.60 3fsj s LEU 518 Cb -0.04 -1.74 0.00 0.00 -0.43 0.00 0.00 46.19 43.99 3fsj s LEU 518 CO -0.01 0.18 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.50 3fsj s ILE 519 N 0.31 2.90 -0.33 6.68 1.01 0.52 -0.46 121.20 131.82 3fsj s ILE 519 Ca -0.05 -0.70 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 3fsj s ILE 519 Cb -0.14 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 3fsj s ILE 519 CO 0.04 0.43 0.65 -0.70 0.00 0.00 0.00 174.94 175.36 3fsj s GLU 520 N 1.40 3.79 -0.21 2.79 2.12 0.04 -0.53 118.70 128.10 3fsj s GLU 520 Ca 0.05 0.20 -0.07 0.00 0.36 0.00 0.00 54.97 55.51 3fsj s GLU 520 Cb -0.14 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 3fsj s GLU 520 CO -0.07 -0.67 0.05 0.08 -0.54 0.00 0.00 175.26 174.12 3fsj s VAL 521 N 2.70 4.48 -0.56 3.70 1.01 0.41 -0.46 120.40 131.69 3fsj s VAL 521 Ca 0.26 -0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 3fsj s VAL 521 Cb -0.15 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.22 3fsj s VAL 521 CO 0.14 0.41 1.17 -0.44 0.00 0.00 0.00 175.10 176.37 3fsj s SER 522 N 0.91 6.48 0.25 3.32 0.01 -0.18 -0.36 113.70 124.14 3fsj s SER 522 Ca 0.03 0.16 0.07 0.00 1.31 0.00 0.00 55.95 57.53 3fsj s SER 522 Cb -0.14 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 3fsj s SER 522 CO 0.03 -1.42 0.17 0.42 0.41 0.00 0.00 173.24 172.85 3fsj s THR 523 N 4.79 4.32 0.41 1.44 -4.23 -0.41 -0.76 115.64 121.19 3fsj s THR 523 Ca 0.43 -1.46 -0.26 0.00 -1.18 0.00 0.00 61.69 59.22 3fsj s THR 523 Cb -0.08 -3.33 -0.09 0.00 1.34 0.00 0.00 72.50 70.35 3fsj s THR 523 CO 0.27 -0.35 1.31 0.68 -0.54 0.00 0.00 174.62 175.99 3fsj s VAL 524 N -2.15 2.58 -0.66 2.29 -7.23 -0.07 -4.36 120.40 110.79 3fsj s VAL 524 Ca 0.33 0.52 -0.27 0.00 -1.81 0.00 0.00 61.98 60.74 3fsj s VAL 524 Cb -0.08 -3.31 0.02 0.00 0.56 0.00 0.00 36.38 33.58 3fsj s VAL 524 CO 0.24 0.08 1.36 -0.55 -0.31 0.00 0.00 175.10 175.93 3fsj s SER 525 N -0.71 6.09 0.00 4.85 0.15 -1.26 -4.80 113.70 118.02 3fsj s SER 525 Ca 0.57 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.12 3fsj s SER 525 Cb -0.39 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.37 3fsj s SER 525 CO 0.50 -1.82 0.00 0.09 1.20 0.00 0.00 173.24 173.21