#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smj s ILE 2 N 0.00 4.55 0.35 12.58 1.01 -1.26 -4.57 121.20 133.86 1smj s ILE 2 Ca 0.00 1.84 -0.25 0.00 0.00 0.00 0.00 60.65 62.24 1smj s ILE 2 Cb 0.00 -4.30 -0.10 0.00 0.01 0.00 0.00 42.46 38.08 1smj s ILE 2 CO 0.00 -0.29 0.98 -0.54 0.00 0.00 0.00 174.94 175.09 1smj s LYS 3 N 3.43 4.44 0.50 2.79 -0.14 -1.20 -5.05 119.74 124.51 1smj s LYS 3 Ca 0.46 1.38 -0.22 0.00 -1.36 0.00 0.00 55.97 56.23 1smj s LYS 3 Cb -0.15 -2.69 -0.06 0.00 -1.68 0.00 0.00 37.83 33.25 1smj s LYS 3 CO 0.11 0.13 1.21 -2.00 -0.76 0.00 0.00 175.35 174.04 1smj s GLU 4 N -2.26 3.50 0.02 1.68 2.12 -1.26 -4.86 118.70 117.65 1smj s GLU 4 Ca 0.53 1.87 -0.26 0.00 0.36 0.00 0.00 54.97 57.48 1smj s GLU 4 Cb -0.19 -2.29 -0.05 0.00 0.26 0.00 0.00 34.13 31.86 1smj s GLU 4 CO 0.24 -0.79 0.80 1.41 -0.54 0.00 0.00 175.26 176.39 1smj s MET 5 N -2.86 4.51 0.74 4.30 -2.45 -1.26 -5.05 119.30 117.24 1smj s MET 5 Ca 0.68 1.11 -0.14 0.00 -1.25 0.00 0.00 55.69 56.09 1smj s MET 5 Cb -0.31 -3.40 0.05 0.00 1.25 0.00 0.00 34.83 32.42 1smj s MET 5 CO 0.37 0.18 1.17 -1.25 1.05 0.00 0.00 175.02 176.55 1smj s PRO 6 N 0.28 2.14 0.00 4.11 0.04 -1.26 -4.81 135.00 135.50 1smj s PRO 6 Ca 0.41 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1smj s PRO 6 Cb -0.20 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1smj s PRO 6 CO 0.23 -1.80 0.00 0.00 0.04 0.00 0.00 177.00 175.47 1smj n GLN 7 N -2.89 0.00 0.00 4.56 10.64 -1.26 0.46 117.38 128.88 1smj n GLN 7 Ca 0.12 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 1smj n GLN 7 Cb 0.51 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.89 1smj n GLN 7 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1smj n PRO 8 N -0.01 1.85 -2.39 2.61 -0.04 -1.26 -4.90 135.00 130.86 1smj n PRO 8 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1smj n PRO 8 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1smj n PRO 8 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1smj s LYS 9 N 1.22 4.56 0.18 0.54 2.47 -1.26 -4.93 119.74 122.51 1smj s LYS 9 Ca 0.00 1.89 0.07 0.00 -1.56 0.00 0.00 55.97 56.36 1smj s LYS 9 Cb 0.00 -3.19 -0.04 0.00 -1.46 0.00 0.00 37.83 33.14 1smj s LYS 9 CO 0.00 0.07 0.03 0.95 0.16 0.00 0.00 175.35 176.56 1smj s THR 10 N -0.84 3.90 -0.54 3.43 -4.23 -1.26 -4.32 115.64 111.78 1smj s THR 10 Ca 0.47 -1.36 0.07 0.00 -1.18 0.00 0.00 61.69 59.69 1smj s THR 10 Cb -0.33 -2.97 0.32 0.00 1.34 0.00 0.00 72.50 70.86 1smj s THR 10 CO 0.42 -0.12 0.86 0.49 -0.54 0.00 0.00 174.62 175.73 1smj n PHE 11 N -0.21 3.14 -0.39 3.99 3.01 0.23 -4.92 117.46 122.31 1smj n PHE 11 Ca -0.09 -3.97 0.00 0.00 1.01 0.00 0.00 57.45 54.39 1smj n PHE 11 Cb 0.55 -0.48 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1smj n PHE 11 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1smj n GLY 12 N 0.08 2.41 0.27 1.37 0.00 -1.26 -2.07 105.19 105.99 1smj n GLY 12 Ca 0.29 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 46.04 1smj n GLY 12 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1smj h GLU 13 N 0.00 0.16 0.00 1.61 4.11 -2.04 -1.86 114.58 116.56 1smj h GLU 13 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1smj h GLU 13 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1smj h GLU 13 CO 0.00 0.15 0.00 1.28 0.07 0.00 0.00 179.01 180.51 1smj n LEU 14 N -4.47 0.00 0.00 3.06 4.32 -0.88 -4.43 117.00 114.60 1smj n LEU 14 Ca -0.01 0.39 0.00 0.00 -0.02 0.00 0.00 56.01 56.37 1smj n LEU 14 Cb 0.12 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.52 1smj n LEU 14 CO 0.35 -0.23 0.00 0.29 -1.22 0.00 0.00 177.39 176.58 1smj n LYS 15 N -1.39 0.00 0.00 3.23 4.76 -0.70 -0.83 118.16 123.22 1smj n LYS 15 Ca 0.04 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.56 1smj n LYS 15 Cb 0.12 0.00 0.37 0.00 -1.84 0.00 0.00 35.03 33.68 1smj n LYS 15 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1smj n ASN 16 N 0.58 0.00 0.13 4.39 4.13 -0.30 0.75 115.26 124.95 1smj n ASN 16 Ca 0.00 0.13 0.01 0.00 1.68 0.00 0.00 54.58 56.39 1smj n ASN 16 Cb 0.00 -0.31 0.31 0.00 -1.54 0.00 0.00 39.78 38.24 1smj n ASN 16 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1smj h LEU 17 N 0.00 0.15 -2.07 3.41 5.85 -1.14 0.81 115.31 122.32 1smj h LEU 17 Ca 0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1smj h LEU 17 Cb 0.16 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1smj h LEU 17 CO 0.00 0.48 -0.06 -0.65 -0.34 0.00 0.00 178.44 177.87 1smj h PRO 18 N 0.13 0.00 -0.96 5.25 0.11 -1.78 -1.88 132.00 132.86 1smj h PRO 18 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1smj h PRO 18 Cb 0.66 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.72 1smj h PRO 18 CO 0.05 0.06 0.62 -0.07 -0.21 0.00 0.00 178.00 178.45 1smj h LEU 19 N 0.00 1.12 -2.27 2.35 3.38 -1.15 -2.94 115.31 115.80 1smj h LEU 19 Ca -0.00 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1smj h LEU 19 Cb 0.29 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1smj h LEU 19 CO 0.01 0.83 0.11 0.18 0.09 0.00 0.00 178.44 179.65 1smj n LEU 20 N -4.38 3.44 -4.39 1.67 4.32 -0.71 -4.72 117.00 112.23 1smj n LEU 20 Ca 0.11 -1.77 -0.45 0.00 -0.02 0.00 0.00 56.01 53.89 1smj n LEU 20 Cb 0.03 -0.59 -0.04 0.00 -1.62 0.00 0.00 43.42 41.20 1smj n LEU 20 CO 0.37 0.53 0.58 0.21 -1.22 0.00 0.00 177.39 177.86 1smj s ASN 21 N -0.04 6.36 -0.20 -1.43 2.47 -1.11 -4.79 114.94 116.20 1smj s ASN 21 Ca 0.19 -1.69 -0.35 0.00 0.42 0.00 0.00 52.86 51.43 1smj s ASN 21 Cb 0.16 -2.32 0.14 0.00 -1.45 0.00 0.00 41.25 37.77 1smj s ASN 21 CO 0.05 -1.07 1.26 0.28 -3.72 0.00 0.00 177.10 173.90 1smj s THR 22 N 2.50 0.00 -0.46 -5.21 -1.32 -1.26 -5.04 115.64 104.85 1smj s THR 22 Ca 0.18 -0.02 0.23 0.00 -1.21 0.00 0.00 61.69 60.88 1smj s THR 22 Cb -0.17 -1.10 0.27 0.00 -1.51 0.00 0.00 72.50 69.99 1smj s THR 22 CO 0.01 0.00 1.54 0.44 -2.21 0.00 0.00 174.62 174.40 1smj h ASP 23 N 2.00 0.00 -2.50 8.08 3.32 -1.98 -3.38 116.42 121.97 1smj h ASP 23 Ca -0.10 -0.01 -0.60 0.00 0.02 0.00 0.00 57.03 56.35 1smj h ASP 23 Cb 1.16 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.30 1smj h ASP 23 CO 0.22 0.00 -0.72 0.29 -1.72 0.00 0.00 179.24 177.32 1smj n LYS 24 N -2.90 1.69 0.08 3.56 5.02 -1.26 -4.24 118.16 120.10 1smj n LYS 24 Ca 0.04 -4.18 -0.08 0.00 -2.02 0.00 0.00 58.31 52.06 1smj n LYS 24 Cb 0.52 -2.03 -0.08 0.00 -0.02 0.00 0.00 35.03 33.42 1smj n LYS 24 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1smj h PRO 25 N 4.77 0.07 -0.04 1.97 0.13 -1.91 -0.82 132.00 136.17 1smj h PRO 25 Ca 0.17 -0.11 -0.06 0.00 -0.87 0.00 0.00 66.00 65.14 1smj h PRO 25 Cb 0.76 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1smj h PRO 25 CO 0.67 0.99 -0.21 0.28 -0.23 0.00 0.00 178.00 179.51 1smj h VAL 26 N 0.03 1.47 -0.78 1.56 2.07 -1.96 0.60 116.25 119.23 1smj h VAL 26 Ca -0.03 -1.69 0.17 0.00 0.82 0.00 0.00 66.70 65.97 1smj h VAL 26 Cb 1.70 2.44 -0.14 0.00 -1.52 0.00 0.00 31.29 33.77 1smj h VAL 26 CO 0.14 0.47 -0.07 1.56 0.02 0.00 0.00 177.57 179.69 1smj h GLN 27 N -0.34 0.05 0.00 1.57 4.20 -1.99 0.29 115.11 118.89 1smj h GLN 27 Ca -0.01 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1smj h GLN 27 Cb 0.87 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1smj h GLN 27 CO 0.04 0.04 -0.21 0.00 -0.67 0.00 0.00 178.83 178.03 1smj h ALA 28 N 1.75 1.45 -0.00 3.87 0.00 -0.50 -0.01 119.26 125.83 1smj h ALA 28 Ca 0.41 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1smj h ALA 28 Cb 0.70 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1smj h ALA 28 CO -0.73 0.26 -0.78 -0.07 0.00 0.00 0.00 179.25 177.93 1smj h LEU 29 N 0.00 0.02 0.23 0.00 3.38 0.35 -1.90 115.31 117.39 1smj h LEU 29 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1smj h LEU 29 Cb 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1smj h LEU 29 CO 0.03 0.79 -0.11 0.24 0.09 0.00 0.00 178.44 179.48 1smj h MET 30 N 0.01 -0.30 -0.85 1.13 2.86 0.12 0.16 114.93 118.05 1smj h MET 30 Ca -0.01 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.78 1smj h MET 30 Cb 1.38 0.07 -0.14 0.00 0.06 0.00 0.00 31.60 32.97 1smj h MET 30 CO 0.10 0.07 -0.33 1.17 1.06 0.00 0.00 176.91 178.99 1smj n LYS 31 N -5.03 -0.19 0.24 1.72 4.81 -0.77 0.13 118.16 119.06 1smj n LYS 31 Ca -0.09 1.31 0.11 0.00 -0.87 0.00 0.00 58.31 58.77 1smj n LYS 31 Cb 0.26 -1.95 0.55 0.00 0.02 0.00 0.00 35.03 33.92 1smj n LYS 31 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1smj h ILE 32 N 0.00 0.58 0.00 3.15 2.04 -0.54 0.47 117.51 123.22 1smj h ILE 32 Ca 0.30 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1smj h ILE 32 Cb 0.51 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1smj h ILE 32 CO -0.85 0.19 0.00 0.00 0.00 0.00 0.00 178.15 177.50 1smj n ALA 33 N -2.25 -0.19 -0.02 1.87 0.00 0.34 -1.15 120.51 119.12 1smj n ALA 33 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 1smj n ALA 33 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1smj n ALA 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1smj n ASP 34 N -1.07 -0.04 0.03 0.00 9.92 -0.61 0.42 116.55 125.21 1smj n ASP 34 Ca 0.00 0.09 -0.02 0.00 -0.53 0.00 0.00 54.79 54.33 1smj n ASP 34 Cb 0.00 -0.02 0.24 0.00 -0.64 0.00 0.00 41.12 40.70 1smj n ASP 34 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1smj h GLU 35 N 0.00 0.44 0.00 -1.24 4.81 -0.80 -3.39 114.58 114.40 1smj h GLU 35 Ca 0.02 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1smj h GLU 35 Cb 0.03 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1smj h GLU 35 CO -0.05 0.62 -1.61 1.28 -0.73 0.00 0.00 179.01 178.52 1smj n LEU 36 N -4.16 0.00 0.00 1.64 4.77 1.40 -5.09 117.00 115.55 1smj n LEU 36 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1smj n LEU 36 Cb 0.36 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1smj n LEU 36 CO 0.41 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1smj n GLY 37 N 1.86 0.13 0.02 -0.72 0.00 0.14 -4.60 105.19 102.01 1smj n GLY 37 Ca -0.05 -1.56 0.04 0.00 0.00 0.00 0.00 46.02 44.45 1smj n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1smj n GLU 38 N 0.00 4.18 -3.67 1.61 0.28 -1.26 -4.54 120.64 117.23 1smj n GLU 38 Ca 0.00 -0.05 -0.10 0.00 -0.16 0.00 0.00 57.16 56.85 1smj n GLU 38 Cb 0.00 -0.89 -0.11 0.00 1.43 0.00 0.00 31.44 31.88 1smj n GLU 38 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1smj s ILE 39 N -1.70 -0.50 0.13 3.84 2.07 -1.26 0.12 121.20 123.91 1smj s ILE 39 Ca 0.03 0.18 0.06 0.00 -1.41 0.00 0.00 60.65 59.51 1smj s ILE 39 Cb 0.06 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 42.01 1smj s ILE 39 CO 0.31 0.08 -0.13 0.72 -1.91 0.00 0.00 174.94 174.00 1smj s PHE 40 N 2.37 1.38 -0.11 3.50 -0.71 -0.03 -4.34 117.98 120.04 1smj s PHE 40 Ca -0.02 -0.58 -0.18 0.00 -1.04 0.00 0.00 56.93 55.11 1smj s PHE 40 Cb -0.11 -0.72 -0.04 0.00 -1.21 0.00 0.00 43.02 40.94 1smj s PHE 40 CO -0.12 0.14 0.47 0.21 -1.34 0.00 0.00 175.22 174.58 1smj s LYS 41 N -2.81 4.32 -0.20 1.99 2.20 0.17 -0.21 119.74 125.20 1smj s LYS 41 Ca 0.10 0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 56.14 1smj s LYS 41 Cb -0.04 -3.42 0.01 0.00 -1.51 0.00 0.00 37.83 32.87 1smj s LYS 41 CO 0.03 0.19 -0.13 0.12 -0.36 0.00 0.00 175.35 175.20 1smj s PHE 42 N 0.53 2.88 -0.11 4.03 2.19 0.15 -4.38 117.98 123.27 1smj s PHE 42 Ca 0.26 -1.37 0.03 0.00 0.33 0.00 0.00 56.93 56.17 1smj s PHE 42 Cb -0.15 -2.00 -0.01 0.00 -1.31 0.00 0.00 43.02 39.55 1smj s PHE 42 CO 0.10 -0.70 -0.20 -2.00 1.83 0.00 0.00 175.22 174.25 1smj s GLU 43 N 1.36 3.15 0.41 10.12 2.12 -1.26 -0.48 118.70 134.12 1smj s GLU 43 Ca 0.05 -0.81 0.05 0.00 0.36 0.00 0.00 54.97 54.62 1smj s GLU 43 Cb -0.14 -2.42 -0.06 0.00 0.26 0.00 0.00 34.13 31.78 1smj s GLU 43 CO -0.09 0.20 0.03 0.00 -0.54 0.00 0.00 175.26 174.87 1smj s ALA 44 N 0.32 3.13 0.06 6.30 0.00 -1.14 -1.15 121.76 129.28 1smj s ALA 44 Ca -0.15 -1.72 -0.31 0.00 0.00 0.00 0.00 51.96 49.78 1smj s ALA 44 Cb -0.17 0.33 -0.07 0.00 0.00 0.00 0.00 23.12 23.21 1smj s ALA 44 CO 0.08 -0.17 1.46 -1.25 0.00 0.00 0.00 175.76 175.88 1smj s PRO 45 N -3.79 4.27 0.00 0.00 0.05 -1.26 -3.17 135.00 131.10 1smj s PRO 45 Ca 0.28 2.10 0.00 0.00 0.05 0.00 0.00 61.00 63.43 1smj s PRO 45 Cb 0.07 -3.45 0.00 0.00 0.05 0.00 0.00 34.50 31.17 1smj s PRO 45 CO 0.14 -0.57 0.00 0.41 0.05 0.00 0.00 177.00 177.03 1smj n GLY 46 N 3.68 2.53 4.00 0.56 0.00 -1.26 -5.01 105.19 109.69 1smj n GLY 46 Ca 0.13 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 1smj n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1smj s ARG 47 N 0.00 2.11 -0.29 1.61 1.70 -1.19 -5.13 118.95 117.76 1smj s ARG 47 Ca 0.00 -1.20 -0.13 0.00 -0.47 0.00 0.00 55.73 53.94 1smj s ARG 47 Cb 0.00 -2.48 0.12 0.00 -0.57 0.00 0.00 34.95 32.01 1smj s ARG 47 CO 0.00 -1.05 0.71 0.54 -1.08 0.00 0.00 175.30 174.42 1smj s VAL 48 N -2.87 -0.59 0.26 4.99 0.11 -1.26 -2.89 120.40 118.14 1smj s VAL 48 Ca 0.62 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.74 1smj s VAL 48 Cb -0.07 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 1smj s VAL 48 CO 0.41 0.00 -0.08 0.28 -3.33 0.00 0.00 175.10 172.38 1smj s THR 49 N 2.38 1.65 -0.26 5.04 -1.32 0.37 -4.59 115.64 118.90 1smj s THR 49 Ca -0.07 -2.15 -0.05 0.00 -1.21 0.00 0.00 61.69 58.22 1smj s THR 49 Cb -0.09 -2.35 0.01 0.00 -1.51 0.00 0.00 72.50 68.56 1smj s THR 49 CO -0.19 -0.37 0.01 -0.13 -2.21 0.00 0.00 174.62 171.73 1smj s ARG 50 N -3.71 3.13 0.13 7.08 0.52 -0.67 0.33 118.95 125.75 1smj s ARG 50 Ca 0.28 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.38 1smj s ARG 50 Cb 0.03 -3.17 -0.06 0.00 0.52 0.00 0.00 34.95 32.27 1smj s ARG 50 CO 0.11 -0.35 0.94 0.71 0.02 0.00 0.00 175.30 176.73 1smj s TYR 51 N 1.45 3.84 -0.20 -0.53 1.51 0.71 -1.97 117.35 122.16 1smj s TYR 51 Ca 0.03 1.80 -0.02 0.00 -1.01 0.00 0.00 57.07 57.87 1smj s TYR 51 Cb -0.16 -3.02 -0.00 0.00 -0.11 0.00 0.00 41.96 38.66 1smj s TYR 51 CO -0.01 0.26 -0.08 -0.51 -1.11 0.00 0.00 175.55 174.10 1smj s LEU 52 N -0.23 2.72 -0.01 -1.29 1.02 -0.22 -0.85 118.68 119.82 1smj s LEU 52 Ca 0.45 -0.44 0.14 0.00 0.02 0.00 0.00 54.13 54.30 1smj s LEU 52 Cb -0.24 -1.67 -0.20 0.00 0.02 0.00 0.00 46.19 44.10 1smj s LEU 52 CO 0.30 0.00 0.37 -1.20 0.02 0.00 0.00 176.35 175.84 1smj n SER 53 N 4.63 1.53 -4.42 2.29 7.64 0.12 -2.47 113.62 122.94 1smj n SER 53 Ca -0.19 -0.19 -0.36 0.00 1.01 0.00 0.00 58.87 59.14 1smj n SER 53 Cb 0.51 1.49 -0.13 0.00 -1.01 0.00 0.00 64.21 65.07 1smj n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1smj s SER 54 N -3.30 4.99 0.15 6.43 1.04 -1.21 -2.99 113.70 118.81 1smj s SER 54 Ca -0.03 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.13 1smj s SER 54 Cb 0.09 -1.89 0.32 0.00 0.10 0.00 0.00 66.02 64.64 1smj s SER 54 CO 0.57 -0.04 0.81 1.67 0.98 0.00 0.00 173.24 177.24 1smj n GLN 55 N 4.90 -0.04 -0.07 4.02 0.00 -1.26 -0.98 117.38 123.94 1smj n GLN 55 Ca -0.16 0.80 -0.10 0.00 -0.00 0.00 0.00 57.00 57.53 1smj n GLN 55 Cb 0.51 -1.23 -0.04 0.00 0.00 0.00 0.00 30.24 29.48 1smj n GLN 55 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 1smj h ARG 56 N 0.00 -0.36 0.09 3.69 0.11 -1.95 -2.46 114.38 113.51 1smj h ARG 56 Ca 0.28 0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.38 1smj h ARG 56 Cb 0.51 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.67 1smj h ARG 56 CO -0.51 -0.24 -0.04 -0.07 0.10 0.00 0.00 179.97 179.20 1smj h LEU 57 N -0.37 -0.11 0.00 0.08 -0.00 -1.44 -3.15 115.31 110.33 1smj h LEU 57 Ca 0.12 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1smj h LEU 57 Cb 0.58 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1smj h LEU 57 CO -0.49 0.03 0.00 -0.38 -0.00 0.00 0.00 178.44 177.61 1smj n ILE 58 N -5.09 0.00 -0.34 1.22 2.08 -0.80 -0.09 119.36 116.34 1smj n ILE 58 Ca -0.08 1.15 0.31 0.00 0.56 0.00 0.00 62.75 64.69 1smj n ILE 58 Cb 0.12 -1.70 0.56 0.00 -0.75 0.00 0.00 39.64 37.87 1smj n ILE 58 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1smj n LYS 59 N -1.54 -0.05 -0.18 0.38 2.85 -0.94 0.15 118.16 118.84 1smj n LYS 59 Ca 0.00 1.20 -0.07 0.00 -1.05 0.00 0.00 58.31 58.39 1smj n LYS 59 Cb 0.00 -2.23 0.08 0.00 -0.65 0.00 0.00 35.03 32.23 1smj n LYS 59 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1smj h GLU 60 N 0.00 0.98 -0.06 -1.58 4.81 -0.45 -2.92 114.58 115.35 1smj h GLU 60 Ca 0.77 -0.29 -0.18 0.00 -0.13 0.00 0.00 59.36 59.54 1smj h GLU 60 Cb 2.21 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.48 1smj h GLU 60 CO -0.60 0.95 -0.72 0.00 -0.73 0.00 0.00 179.01 177.91 1smj h ALA 61 N 1.11 0.65 0.00 2.92 0.00 0.29 -3.16 119.26 121.06 1smj h ALA 61 Ca 0.17 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1smj h ALA 61 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1smj h ALA 61 CO 0.02 0.78 0.00 0.00 0.00 0.00 0.00 179.25 180.05 1smj s ASP 63 N -1.93 6.32 0.41 0.00 2.15 -1.20 -4.79 116.67 117.62 1smj s ASP 63 Ca 0.00 -0.35 0.09 0.00 0.43 0.00 0.00 52.55 52.72 1smj s ASP 63 Cb 0.00 -2.31 0.90 0.00 -0.30 0.00 0.00 42.92 41.20 1smj s ASP 63 CO 0.00 -0.76 2.00 -0.33 -0.17 0.00 0.00 175.17 175.91 1smj h GLU 64 N 8.85 0.53 -0.43 4.34 5.08 -1.81 0.72 114.58 131.87 1smj h GLU 64 Ca -0.25 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1smj h GLU 64 Cb 1.10 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1smj h GLU 64 CO 0.88 0.35 0.47 0.77 -1.00 0.00 0.00 179.01 180.49 1smj h SER 65 N 0.55 0.00 0.00 1.42 0.02 -1.96 -3.21 113.55 110.38 1smj h SER 65 Ca 0.24 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1smj h SER 65 Cb 0.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1smj h SER 65 CO -0.07 0.00 -1.24 0.54 -1.14 0.00 0.00 176.83 174.92 1smj n ARG 66 N -3.70 3.17 -3.64 3.45 1.74 0.10 -4.95 116.66 112.83 1smj n ARG 66 Ca 0.08 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.91 1smj n ARG 66 Cb 0.65 -1.09 -0.17 0.00 -1.02 0.00 0.00 32.46 30.83 1smj n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1smj s PHE 67 N -2.08 0.27 0.27 -1.55 0.08 -0.32 -0.83 117.98 113.81 1smj s PHE 67 Ca -0.02 -0.24 -0.21 0.00 0.12 0.00 0.00 56.93 56.57 1smj s PHE 67 Cb 0.01 -0.69 -0.09 0.00 -0.57 0.00 0.00 43.02 41.68 1smj s PHE 67 CO 0.14 -0.45 0.80 0.34 -0.10 0.00 0.00 175.22 175.95 1smj s ASP 68 N 2.11 7.11 0.07 1.36 2.15 -1.16 -4.24 116.67 124.07 1smj s ASP 68 Ca 0.02 1.54 -0.36 0.00 0.43 0.00 0.00 52.55 54.18 1smj s ASP 68 Cb -0.15 -2.47 -0.18 0.00 -0.30 0.00 0.00 42.92 39.82 1smj s ASP 68 CO -0.07 -0.04 1.01 1.17 -0.17 0.00 0.00 175.17 177.07 1smj n LYS 69 N 0.52 0.31 -4.31 4.34 4.81 -1.26 -1.60 118.16 120.97 1smj n LYS 69 Ca -0.00 0.11 -0.28 0.00 -0.87 0.00 0.00 58.31 57.27 1smj n LYS 69 Cb 0.51 -1.54 -0.11 0.00 0.02 0.00 0.00 35.03 33.92 1smj n LYS 69 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1smj s ASN 70 N -0.13 3.98 -0.45 3.14 2.47 -0.08 -4.61 114.94 119.26 1smj s ASN 70 Ca 0.83 -0.61 -0.25 0.00 0.42 0.00 0.00 52.86 53.24 1smj s ASN 70 Cb -1.11 -0.58 0.02 0.00 -1.45 0.00 0.00 41.25 38.14 1smj s ASN 70 CO 0.55 0.14 0.92 -0.76 -3.72 0.00 0.00 177.10 174.23 1smj s LEU 71 N -2.50 4.00 1.05 3.21 1.02 -1.26 -4.25 118.68 119.95 1smj s LEU 71 Ca 0.21 0.20 -0.14 0.00 0.02 0.00 0.00 54.13 54.42 1smj s LEU 71 Cb -0.09 -3.21 0.22 0.00 0.02 0.00 0.00 46.19 43.13 1smj s LEU 71 CO 0.12 -1.02 1.11 -0.94 0.02 0.00 0.00 176.35 175.64 1smj s SER 72 N 2.20 2.18 0.21 2.29 1.04 -1.26 -4.72 113.70 115.64 1smj s SER 72 Ca 0.37 0.98 -0.10 0.00 0.48 0.00 0.00 55.95 57.69 1smj s SER 72 Cb -0.10 -1.52 0.16 0.00 0.10 0.00 0.00 66.02 64.66 1smj s SER 72 CO 0.25 -3.38 1.88 -0.61 0.98 0.00 0.00 173.24 172.36 1smj h GLN 73 N -2.07 1.03 -0.06 4.02 5.75 -1.99 -2.19 115.11 119.60 1smj h GLN 73 Ca -0.52 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 57.92 1smj h GLN 73 Cb 1.32 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 1smj h GLN 73 CO 0.52 0.69 -0.05 0.00 -2.65 0.00 0.00 178.83 177.34 1smj h ALA 74 N 1.28 -0.18 -0.94 3.38 0.00 -1.90 -1.20 119.26 119.69 1smj h ALA 74 Ca 0.28 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.46 1smj h ALA 74 Cb -0.11 0.89 -0.17 0.00 0.00 0.00 0.00 17.79 18.41 1smj h ALA 74 CO -0.06 -0.21 0.10 -0.07 0.00 0.00 0.00 179.25 179.01 1smj h LEU 75 N -0.02 -0.31 -1.45 0.00 3.38 -1.75 0.56 115.31 115.72 1smj h LEU 75 Ca 0.01 0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1smj h LEU 75 Cb 0.04 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1smj h LEU 75 CO -0.06 -0.30 -0.10 0.11 0.09 0.00 0.00 178.44 178.18 1smj h LYS 76 N 0.06 0.24 -0.00 1.13 1.79 -0.68 1.19 116.57 120.30 1smj h LYS 76 Ca 0.59 -0.05 -0.18 0.00 -2.18 0.00 0.00 60.65 58.83 1smj h LYS 76 Cb 1.22 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.82 1smj h LYS 76 CO -0.83 0.35 -0.83 0.74 -1.08 0.00 0.00 179.45 177.81 1smj h PHE 77 N 0.23 0.14 0.00 -1.35 0.04 0.11 -3.02 116.94 113.09 1smj h PHE 77 Ca 0.05 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 1smj h PHE 77 Cb 0.32 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1smj h PHE 77 CO 0.01 0.88 -0.36 0.28 -0.60 0.00 0.00 178.31 178.51 1smj h VAL 78 N 0.05 0.96 0.00 -0.55 2.07 0.23 -2.82 116.25 116.19 1smj h VAL 78 Ca -0.02 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1smj h VAL 78 Cb 1.45 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1smj h VAL 78 CO 0.12 0.35 0.00 -0.09 0.02 0.00 0.00 177.57 177.97 1smj h ARG 79 N 0.00 0.00 0.00 1.57 2.43 0.12 -0.91 114.38 117.59 1smj h ARG 79 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1smj h ARG 79 Cb 0.79 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1smj h ARG 79 CO 0.05 0.00 -0.13 -0.44 -1.51 0.00 0.00 179.97 177.93 1smj h ASP 80 N 0.00 0.00 0.00 -3.80 3.32 -1.60 0.01 116.42 114.35 1smj h ASP 80 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1smj h ASP 80 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1smj h ASP 80 CO 0.00 0.13 -0.32 2.22 -1.72 0.00 0.00 179.24 179.55 1smj n PHE 81 N -3.22 0.00 0.90 4.55 -1.74 -0.59 -4.66 117.46 112.70 1smj n PHE 81 Ca 0.01 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.01 1smj n PHE 81 Cb 0.44 -0.01 0.08 0.00 1.52 0.00 0.00 39.48 41.50 1smj n PHE 81 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1smj n ALA 82 N -1.17 2.60 0.00 1.98 0.00 -0.45 -4.90 120.51 118.57 1smj n ALA 82 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1smj n ALA 82 Cb 0.03 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1smj n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smj n GLY 83 N 1.23 0.00 1.72 0.00 0.00 -0.01 -1.68 105.19 106.45 1smj n GLY 83 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1smj n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1smj n ASP 84 N 0.00 2.18 -4.13 1.61 5.75 -1.26 -4.24 116.55 116.46 1smj n ASP 84 Ca 0.00 -2.87 -0.29 0.00 -0.01 0.00 0.00 54.79 51.63 1smj n ASP 84 Cb 0.00 -0.41 0.25 0.00 -1.03 0.00 0.00 41.12 39.93 1smj n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1smj n GLY 85 N -0.44 -2.62 0.20 6.12 0.00 -0.68 -4.61 105.19 103.17 1smj n GLY 85 Ca 0.18 -1.22 -0.04 0.00 0.00 0.00 0.00 46.02 44.94 1smj n GLY 85 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1smj h LEU 86 N -2.84 0.31 -0.76 0.99 4.07 -1.89 -1.67 115.31 113.52 1smj h LEU 86 Ca -0.55 0.04 0.16 0.00 0.08 0.00 0.00 57.88 57.61 1smj h LEU 86 Cb 1.31 -0.02 -0.14 0.00 1.08 0.00 0.00 40.66 42.90 1smj h LEU 86 CO 0.41 0.22 -0.11 0.15 -1.08 0.00 0.00 178.44 178.02 1smj h PHE 87 N 0.45 -0.26 -0.30 1.13 3.04 -1.94 -3.22 116.94 115.86 1smj h PHE 87 Ca 0.23 0.06 -0.24 0.00 3.98 0.00 0.00 57.97 62.01 1smj h PHE 87 Cb 0.17 0.23 -0.25 0.00 2.56 0.00 0.00 35.95 38.67 1smj h PHE 87 CO -0.12 -0.30 -0.76 0.25 -2.02 0.00 0.00 178.31 175.36 1smj n THR 88 N -5.44 1.87 -5.04 4.41 -2.24 -0.64 -4.97 114.28 102.22 1smj n THR 88 Ca 0.12 -3.19 -0.28 0.00 -2.27 0.00 0.00 64.05 58.44 1smj n THR 88 Cb 0.43 -0.16 -0.16 0.00 -2.10 0.00 0.00 70.33 68.35 1smj n THR 88 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1smj s SER 89 N -3.24 2.55 1.04 3.42 1.04 -1.13 -4.35 113.70 113.03 1smj s SER 89 Ca 0.40 -0.40 -0.16 0.00 0.48 0.00 0.00 55.95 56.27 1smj s SER 89 Cb 0.38 -0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.28 1smj s SER 89 CO -0.05 0.26 0.11 0.79 0.98 0.00 0.00 173.24 175.34 1smj n TRP 90 N 2.49 -1.58 0.05 5.02 7.02 -1.26 -4.93 117.44 124.25 1smj n TRP 90 Ca -0.15 0.19 -0.13 0.00 -1.02 0.00 0.00 57.50 56.38 1smj n TRP 90 Cb 0.53 -1.65 -0.14 0.00 -2.42 0.00 0.00 31.31 27.63 1smj n TRP 90 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 1smj h THR 91 N -1.77 1.27 -3.73 -0.99 2.02 -1.99 -3.40 112.91 104.32 1smj h THR 91 Ca -0.48 -2.95 -0.79 0.00 0.77 0.00 0.00 66.41 62.95 1smj h THR 91 Cb 1.32 2.75 -0.27 0.00 -1.74 0.00 0.00 68.15 70.22 1smj h THR 91 CO 0.35 0.81 0.23 -1.00 0.37 0.00 0.00 175.52 176.29 1smj s HIS 92 N -2.64 3.96 0.00 3.16 3.76 -1.26 -4.63 115.29 117.63 1smj s HIS 92 Ca -0.06 -2.26 0.00 0.00 -0.15 0.00 0.00 55.06 52.59 1smj s HIS 92 Cb 0.08 -3.82 0.00 0.00 1.11 0.00 0.00 32.58 29.94 1smj s HIS 92 CO 0.84 -0.97 0.00 -1.91 -0.85 0.00 0.00 174.74 171.85 1smj n GLU 93 N 3.49 0.00 -0.34 1.40 2.13 -1.26 -5.10 120.64 120.96 1smj n GLU 93 Ca 0.18 0.00 0.19 0.00 0.66 0.00 0.00 57.16 58.19 1smj n GLU 93 Cb 0.44 0.00 0.43 0.00 0.27 0.00 0.00 31.44 32.58 1smj n GLU 93 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1smj h LYS 94 N 0.00 0.50 -0.01 5.31 5.09 -1.93 -1.94 116.57 123.60 1smj h LYS 94 Ca 0.00 -0.03 -0.17 0.00 0.09 0.00 0.00 60.65 60.54 1smj h LYS 94 Cb 0.00 -0.11 -0.02 0.00 0.10 0.00 0.00 32.23 32.20 1smj h LYS 94 CO 0.00 0.33 -0.77 -0.91 -2.09 0.00 0.00 179.45 176.01 1smj h ASN 95 N 0.52 0.09 -0.05 7.07 -0.26 -1.94 -3.05 115.58 117.96 1smj h ASN 95 Ca 0.62 -0.07 0.02 0.00 -0.56 0.00 0.00 56.30 56.31 1smj h ASN 95 Cb 1.32 -0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 38.51 1smj h ASN 95 CO -0.39 0.82 -0.38 -0.25 -1.06 0.00 0.00 177.43 176.17 1smj h TRP 96 N 0.05 -1.13 -0.12 1.19 7.01 -1.60 -1.86 115.95 119.48 1smj h TRP 96 Ca -0.02 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 1smj h TRP 96 Cb 1.35 0.50 -0.01 0.00 -2.10 0.00 0.00 29.16 28.90 1smj h TRP 96 CO 0.01 -0.40 0.07 -0.22 -2.79 0.00 0.00 178.44 175.11 1smj h LYS 97 N -0.45 0.17 -0.69 2.65 3.11 -1.67 0.00 116.57 119.70 1smj h LYS 97 Ca 0.01 -0.02 0.13 0.00 -2.81 0.00 0.00 60.65 57.97 1smj h LYS 97 Cb 0.50 -0.03 -0.13 0.00 -1.00 0.00 0.00 32.23 31.56 1smj h LYS 97 CO -0.28 0.19 -0.22 -0.22 -2.81 0.00 0.00 179.45 176.10 1smj h LYS 98 N 0.11 -0.04 0.06 1.90 3.64 -1.59 -0.80 116.57 119.85 1smj h LYS 98 Ca 0.04 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.19 1smj h LYS 98 Cb 0.06 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1smj h LYS 98 CO -0.01 -0.03 -1.06 0.00 -2.27 0.00 0.00 179.45 176.09 1smj h ALA 99 N 1.52 0.29 -2.62 5.00 0.00 -0.83 0.28 119.26 122.89 1smj h ALA 99 Ca 0.31 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1smj h ALA 99 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1smj h ALA 99 CO -0.73 0.94 0.00 1.58 0.00 0.00 0.00 179.25 181.04 1smj n HIS 100 N -3.60 0.00 -0.34 0.00 -0.00 -0.06 0.81 115.22 112.03 1smj n HIS 100 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.65 1smj n HIS 100 Cb 0.92 -0.06 0.04 0.00 -0.00 0.00 0.00 29.99 30.88 1smj n HIS 100 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1smj n ASN 101 N -1.02 -0.57 0.33 0.26 3.02 -0.37 0.99 115.26 117.90 1smj n ASN 101 Ca 0.00 1.56 -0.13 0.00 -0.03 0.00 0.00 54.58 55.98 1smj n ASN 101 Cb 0.00 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 1smj n ASN 101 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1smj h ILE 102 N 0.00 0.00 0.00 2.41 2.04 -0.41 -3.33 117.51 118.21 1smj h ILE 102 Ca 0.31 -0.05 -0.09 0.00 1.00 0.00 0.00 64.86 66.04 1smj h ILE 102 Cb 0.54 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1smj h ILE 102 CO -0.89 0.00 -0.44 -0.07 0.00 0.00 0.00 178.15 176.76 1smj h LEU 103 N -0.88 0.00 -0.90 1.44 4.07 0.25 -3.36 115.31 115.92 1smj h LEU 103 Ca -0.09 0.00 0.20 0.00 0.08 0.00 0.00 57.88 58.07 1smj h LEU 103 Cb 0.64 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.27 1smj h LEU 103 CO 0.14 0.44 0.45 0.25 -1.08 0.00 0.00 178.44 178.63 1smj h LEU 104 N 0.00 0.47 0.00 1.67 5.85 0.52 -2.84 115.31 120.98 1smj h LEU 104 Ca -0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1smj h LEU 104 Cb 0.94 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1smj h LEU 104 CO 0.06 0.10 0.16 -2.65 -0.34 0.00 0.00 178.44 175.77 1smj n PRO 105 N -4.95 0.00 -0.00 5.25 -0.02 -1.26 -0.94 135.00 133.08 1smj n PRO 105 Ca 0.21 0.12 0.12 0.00 -2.02 0.00 0.00 63.50 61.93 1smj n PRO 105 Cb 0.59 -1.66 0.10 0.00 -0.02 0.00 0.00 33.50 32.51 1smj n PRO 105 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1smj n SER 106 N -0.99 2.95 -0.06 2.55 7.64 -1.07 -4.22 113.62 120.42 1smj n SER 106 Ca 0.00 -1.97 0.08 0.00 1.01 0.00 0.00 58.87 57.99 1smj n SER 106 Cb 0.16 -0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.48 1smj n SER 106 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1smj n PHE 107 N 1.32 0.01 -3.52 1.43 3.72 -0.11 -4.73 117.46 115.57 1smj n PHE 107 Ca 0.14 -0.92 -0.27 0.00 -0.05 0.00 0.00 57.45 56.35 1smj n PHE 107 Cb 0.58 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 1smj n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1smj s SER 108 N -2.57 6.38 0.45 4.37 1.04 -1.26 -4.86 113.70 117.25 1smj s SER 108 Ca 0.27 0.50 0.36 0.00 0.48 0.00 0.00 55.95 57.56 1smj s SER 108 Cb 0.23 -2.05 1.48 0.00 0.10 0.00 0.00 66.02 65.79 1smj s SER 108 CO 0.03 -0.15 1.47 1.67 0.98 0.00 0.00 173.24 177.24 1smj n GLN 109 N -1.03 -0.02 0.08 4.02 -0.06 -1.26 0.23 117.38 119.34 1smj n GLN 109 Ca -0.04 1.13 -0.09 0.00 -2.00 0.00 0.00 57.00 56.00 1smj n GLN 109 Cb 0.54 -2.34 -0.06 0.00 -4.06 0.00 0.00 30.24 24.32 1smj n GLN 109 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 1smj h GLN 110 N 0.00 0.14 -0.17 3.69 7.50 -1.96 -3.11 115.11 121.19 1smj h GLN 110 Ca 0.85 -0.19 -0.19 0.00 0.50 0.00 0.00 58.65 59.63 1smj h GLN 110 Cb 2.98 0.06 -0.00 0.00 0.05 0.00 0.00 27.48 30.57 1smj h GLN 110 CO -0.30 1.01 -0.65 0.00 -1.50 0.00 0.00 178.83 177.39 1smj h ALA 111 N 0.92 0.54 -0.26 3.87 0.00 0.26 -2.26 119.26 122.32 1smj h ALA 111 Ca -0.05 -0.56 0.06 0.00 0.00 0.00 0.00 54.91 54.36 1smj h ALA 111 Cb 1.67 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 1smj h ALA 111 CO 0.14 0.70 -0.34 0.52 0.00 0.00 0.00 179.25 180.28 1smj h MET 112 N 0.46 -0.33 -0.92 0.00 2.07 -1.55 0.50 114.93 115.16 1smj h MET 112 Ca -0.02 0.02 0.22 0.00 -2.07 0.00 0.00 59.70 57.85 1smj h MET 112 Cb 1.23 0.07 -0.12 0.00 -1.87 0.00 0.00 31.60 30.92 1smj h MET 112 CO 0.13 -0.22 0.45 0.87 1.07 0.00 0.00 176.91 179.21 1smj h LYS 113 N -0.34 0.46 0.00 1.72 1.57 -1.33 0.35 116.57 118.99 1smj h LYS 113 Ca 0.13 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1smj h LYS 113 Cb 0.55 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1smj h LYS 113 CO -0.45 0.30 0.00 0.78 -0.57 0.00 0.00 179.45 179.51 1smj h GLY 114 N 0.47 0.00 0.80 3.86 0.00 -0.01 -3.24 103.07 104.95 1smj h GLY 114 Ca 0.57 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.70 1smj h GLY 114 CO -0.49 0.00 -0.85 -0.97 0.00 0.00 0.00 176.54 174.22 1smj h TYR 115 N 0.00 0.63 -0.15 5.60 0.05 -0.11 -3.30 116.97 119.69 1smj h TYR 115 Ca 0.00 -0.43 0.01 0.00 0.05 0.00 0.00 58.73 58.37 1smj h TYR 115 Cb 0.85 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.53 1smj h TYR 115 CO 0.00 1.31 -0.09 1.58 -1.05 0.00 0.00 178.16 179.91 1smj n HIS 116 N -4.09 -0.07 -0.39 4.88 -0.00 -0.65 0.72 115.22 115.63 1smj n HIS 116 Ca -0.13 0.19 0.36 0.00 0.46 0.00 0.00 57.72 58.59 1smj n HIS 116 Cb 0.82 -0.36 0.62 0.00 -0.12 0.00 0.00 29.99 30.96 1smj n HIS 116 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1smj n ALA 117 N -2.83 1.18 0.01 1.57 0.00 -1.24 -1.27 120.51 117.93 1smj n ALA 117 Ca 0.00 0.93 -0.06 0.00 0.00 0.00 0.00 53.44 54.32 1smj n ALA 117 Cb 0.04 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 1smj n ALA 117 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1smj h MET 118 N 0.00 0.00 0.21 0.00 2.07 0.10 -2.70 114.93 114.61 1smj h MET 118 Ca 0.85 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.49 1smj h MET 118 Cb 2.51 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 32.21 1smj h MET 118 CO -0.61 0.54 -0.41 0.52 1.07 0.00 0.00 176.91 178.02 1smj h MET 119 N 0.00 -0.64 -1.16 1.72 2.86 -0.41 -1.77 114.93 115.53 1smj h MET 119 Ca -0.20 0.04 0.35 0.00 -2.06 0.00 0.00 59.70 57.84 1smj h MET 119 Cb 1.85 0.15 -0.12 0.00 0.06 0.00 0.00 31.60 33.53 1smj h MET 119 CO 0.08 -0.43 0.74 0.28 1.06 0.00 0.00 176.91 178.64 1smj h VAL 120 N -0.67 0.30 -0.51 -2.22 2.07 -1.35 0.34 116.25 114.21 1smj h VAL 120 Ca -0.02 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1smj h VAL 120 Cb 0.63 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1smj h VAL 120 CO -0.16 0.04 0.27 -0.78 0.02 0.00 0.00 177.57 176.96 1smj h ASP 121 N 0.23 0.39 0.14 0.57 1.82 -0.98 -0.31 116.42 118.28 1smj h ASP 121 Ca 0.72 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 57.38 1smj h ASP 121 Cb 2.03 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.99 1smj h ASP 121 CO -0.40 0.27 -0.07 0.40 -1.61 0.00 0.00 179.24 177.83 1smj h ILE 122 N 0.52 0.00 -1.63 2.25 1.08 -0.26 -2.24 117.51 117.23 1smj h ILE 122 Ca 0.22 -0.06 0.47 0.00 -0.39 0.00 0.00 64.86 65.11 1smj h ILE 122 Cb 0.12 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.80 1smj h ILE 122 CO -0.15 0.00 1.33 0.00 -0.69 0.00 0.00 178.15 178.64 1smj n ALA 123 N -2.14 1.57 -0.04 1.87 0.00 -0.29 0.13 120.51 121.61 1smj n ALA 123 Ca -0.02 0.54 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 1smj n ALA 123 Cb 0.07 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 18.47 1smj n ALA 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1smj h VAL 124 N 0.00 1.54 -1.00 0.00 2.07 -0.93 -2.20 116.25 115.72 1smj h VAL 124 Ca 0.78 -1.74 0.22 0.00 0.82 0.00 0.00 66.70 66.78 1smj h VAL 124 Cb 3.44 2.70 -0.10 0.00 -1.52 0.00 0.00 31.29 35.80 1smj h VAL 124 CO -0.01 0.44 0.62 1.56 0.02 0.00 0.00 177.57 180.21 1smj h GLN 125 N -0.77 0.57 0.77 1.57 4.20 0.17 0.35 115.11 121.97 1smj h GLN 125 Ca -0.00 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1smj h GLN 125 Cb 0.74 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.39 1smj h GLN 125 CO 0.00 0.38 -0.37 1.25 -0.67 0.00 0.00 178.83 179.42 1smj h LEU 126 N 0.59 -0.87 -0.56 1.46 6.46 -1.21 0.24 115.31 121.41 1smj h LEU 126 Ca 0.59 0.03 0.10 0.00 -0.12 0.00 0.00 57.88 58.47 1smj h LEU 126 Cb 1.16 0.23 -0.07 0.00 -0.73 0.00 0.00 40.66 41.24 1smj h LEU 126 CO -0.36 -0.62 0.15 0.58 -0.62 0.00 0.00 178.44 177.56 1smj h VAL 127 N -1.03 0.71 0.00 1.05 2.07 -0.49 1.64 116.25 120.20 1smj h VAL 127 Ca -0.10 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1smj h VAL 127 Cb 0.79 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1smj h VAL 127 CO 0.17 0.05 -0.09 1.56 0.02 0.00 0.00 177.57 179.29 1smj h GLN 128 N 0.29 0.00 -0.04 1.57 4.20 -0.37 0.21 115.11 120.98 1smj h GLN 128 Ca 0.29 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 1smj h GLN 128 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1smj h GLN 128 CO -0.34 0.09 -0.11 -0.22 -0.67 0.00 0.00 178.83 177.57 1smj h LYS 129 N 0.00 0.14 -0.95 1.46 3.64 0.45 -2.08 116.57 119.23 1smj h LYS 129 Ca -0.00 -0.10 0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1smj h LYS 129 Cb 0.19 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 1smj h LYS 129 CO 0.01 0.72 0.61 -1.49 -2.27 0.00 0.00 179.45 177.04 1smj h TRP 130 N -0.42 1.11 -0.41 1.91 6.55 -0.61 -2.60 115.95 121.49 1smj h TRP 130 Ca -0.00 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 1smj h TRP 130 Cb 0.73 -0.37 -0.02 0.00 -0.86 0.00 0.00 29.16 28.65 1smj h TRP 130 CO 0.13 0.58 0.19 0.93 -1.05 0.00 0.00 178.44 179.22 1smj h GLU 131 N 1.09 0.56 0.00 0.49 4.39 -0.55 -3.10 114.58 117.47 1smj h GLU 131 Ca 0.41 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.05 1smj h GLU 131 Cb 0.19 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1smj h GLU 131 CO -0.16 0.44 0.00 0.54 -1.16 0.00 0.00 179.01 178.68 1smj n ARG 132 N -4.40 0.73 -2.21 2.33 1.74 -0.79 -4.90 116.66 109.16 1smj n ARG 132 Ca 0.03 0.01 -0.37 0.00 -0.77 0.00 0.00 57.85 56.74 1smj n ARG 132 Cb 0.12 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 1smj n ARG 132 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1smj s LEU 133 N -2.12 4.03 0.51 0.55 1.02 -1.17 -5.08 118.68 116.41 1smj s LEU 133 Ca 0.37 2.37 0.05 0.00 0.02 0.00 0.00 54.13 56.93 1smj s LEU 133 Cb 0.18 -4.20 0.03 0.00 0.02 0.00 0.00 46.19 42.22 1smj s LEU 133 CO 0.33 -0.94 0.70 0.20 0.02 0.00 0.00 176.35 176.65 1smj s ASN 134 N -1.26 5.37 0.10 2.29 0.02 -1.26 -5.02 114.94 115.18 1smj s ASN 134 Ca 0.63 -0.28 -0.20 0.00 -1.02 0.00 0.00 52.86 52.00 1smj s ASN 134 Cb -0.30 -0.63 -0.05 0.00 0.02 0.00 0.00 41.25 40.29 1smj s ASN 134 CO 0.37 -1.04 1.35 0.00 0.02 0.00 0.00 177.10 177.80 1smj h ALA 135 N 0.29 -0.36 -1.19 0.60 0.00 -2.01 -2.72 119.26 113.87 1smj h ALA 135 Ca -0.40 0.07 0.41 0.00 0.00 0.00 0.00 54.91 54.99 1smj h ALA 135 Cb 1.29 1.24 -0.14 0.00 0.00 0.00 0.00 17.79 20.17 1smj h ALA 135 CO 0.47 -0.62 0.73 0.38 0.00 0.00 0.00 179.25 180.21 1smj h ASP 136 N -0.01 0.32 -3.59 0.00 2.03 -2.05 -3.44 116.42 109.68 1smj h ASP 136 Ca 0.10 0.17 -0.51 0.00 -0.73 0.00 0.00 57.03 56.06 1smj h ASP 136 Cb 0.27 0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.89 1smj h ASP 136 CO -0.59 -0.22 0.31 -1.61 -1.03 0.00 0.00 179.24 176.10 1smj s GLU 137 N -5.42 4.70 0.46 4.15 2.02 -1.03 -5.09 118.70 118.49 1smj s GLU 137 Ca -0.08 1.37 0.07 0.00 0.02 0.00 0.00 54.97 56.35 1smj s GLU 137 Cb 0.31 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 31.20 1smj s GLU 137 CO 0.81 0.35 0.43 -3.38 0.02 0.00 0.00 175.26 173.49 1smj s HIS 138 N -0.46 2.39 -0.08 1.61 -3.43 -1.26 -4.81 115.29 109.24 1smj s HIS 138 Ca 0.43 -0.57 0.02 0.00 -0.80 0.00 0.00 55.06 54.13 1smj s HIS 138 Cb -0.24 -2.14 -0.02 0.00 -1.43 0.00 0.00 32.58 28.75 1smj s HIS 138 CO 0.29 -0.30 -0.11 0.96 -2.00 0.00 0.00 174.74 173.58 1smj s ILE 139 N -2.54 3.29 -0.58 -5.38 -0.00 0.58 -4.95 121.20 111.62 1smj s ILE 139 Ca 0.47 -0.62 -0.23 0.00 -0.00 0.00 0.00 60.65 60.27 1smj s ILE 139 Cb -0.04 -2.33 0.05 0.00 -0.00 0.00 0.00 42.46 40.14 1smj s ILE 139 CO 0.28 0.57 0.93 -1.61 -0.00 0.00 0.00 174.94 175.11 1smj s GLU 140 N -0.45 3.25 0.01 0.37 2.02 -1.26 -1.74 118.70 120.89 1smj s GLU 140 Ca 0.06 -0.47 -0.07 0.00 0.02 0.00 0.00 54.97 54.50 1smj s GLU 140 Cb -0.12 -4.11 -0.04 0.00 0.10 0.00 0.00 34.13 29.96 1smj s GLU 140 CO 0.02 -1.57 0.88 0.28 0.02 0.00 0.00 175.26 174.88 1smj h VAL 141 N 5.99 0.00 0.00 2.63 2.07 -1.61 -2.65 116.25 122.68 1smj h VAL 141 Ca -0.27 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1smj h VAL 141 Cb 1.07 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1smj h VAL 141 CO 1.11 0.00 -0.09 1.55 0.02 0.00 0.00 177.57 180.16 1smj h PRO 142 N -0.32 0.00 0.37 1.57 0.13 -1.88 0.20 132.00 132.06 1smj h PRO 142 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1smj h PRO 142 Cb 0.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 1smj h PRO 142 CO 0.04 0.09 -0.27 0.93 -0.23 0.00 0.00 178.00 178.56 1smj h GLU 143 N 0.00 -0.61 -0.15 0.86 3.07 -1.89 -2.57 114.58 113.29 1smj h GLU 143 Ca -0.00 0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.72 1smj h GLU 143 Cb 0.29 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1smj h GLU 143 CO 0.01 -0.41 -0.67 -0.44 -1.40 0.00 0.00 179.01 176.11 1smj h ASP 144 N -0.64 0.67 -0.36 1.42 3.32 -0.95 -2.33 116.42 117.56 1smj h ASP 144 Ca -0.03 -0.41 0.07 0.00 0.02 0.00 0.00 57.03 56.68 1smj h ASP 144 Cb 0.55 -0.20 -0.09 0.00 0.22 0.00 0.00 39.33 39.81 1smj h ASP 144 CO 0.00 1.16 -0.32 0.24 -1.72 0.00 0.00 179.24 178.60 1smj h MET 145 N 0.42 -0.26 -0.70 3.56 2.86 -0.69 -1.88 114.93 118.24 1smj h MET 145 Ca -0.02 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.78 1smj h MET 145 Cb 1.25 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.92 1smj h MET 145 CO 0.13 -0.17 0.47 1.15 1.06 0.00 0.00 176.91 179.55 1smj h THR 146 N -0.27 0.79 -0.60 2.22 2.02 -1.09 0.31 112.91 116.30 1smj h THR 146 Ca 0.16 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 1smj h THR 146 Cb 0.53 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1smj h THR 146 CO -0.51 0.06 0.27 -0.09 0.37 0.00 0.00 175.52 175.63 1smj h ARG 147 N 0.33 0.87 0.59 6.66 2.43 -0.85 -2.99 114.38 121.43 1smj h ARG 147 Ca 0.34 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1smj h ARG 147 Cb 0.86 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1smj h ARG 147 CO -0.09 0.72 -0.28 1.25 -1.51 0.00 0.00 179.97 180.05 1smj h LEU 148 N 0.82 -0.67 -1.65 3.80 5.85 0.31 -2.85 115.31 120.92 1smj h LEU 148 Ca 0.20 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1smj h LEU 148 Cb 0.14 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1smj h LEU 148 CO -0.02 -0.45 0.10 0.74 -0.34 0.00 0.00 178.44 178.46 1smj h THR 149 N -0.85 1.10 0.08 1.05 2.02 -1.15 -1.48 112.91 113.67 1smj h THR 149 Ca -0.08 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1smj h THR 149 Cb 0.61 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1smj h THR 149 CO 0.13 0.11 -0.04 0.25 0.37 0.00 0.00 175.52 176.35 1smj h LEU 150 N 0.33 -0.09 -0.69 2.58 5.85 -1.59 -1.67 115.31 120.04 1smj h LEU 150 Ca 0.08 -0.34 0.15 0.00 0.84 0.00 0.00 57.88 58.61 1smj h LEU 150 Cb 0.07 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.00 1smj h LEU 150 CO -0.01 0.55 -0.04 0.44 -0.34 0.00 0.00 178.44 179.04 1smj h ASP 151 N -0.98 -0.40 -0.22 1.25 5.19 -1.08 -0.72 116.42 119.46 1smj h ASP 151 Ca -0.01 0.18 0.05 0.00 -0.62 0.00 0.00 57.03 56.63 1smj h ASP 151 Cb 0.42 0.34 -0.07 0.00 0.18 0.00 0.00 39.33 40.20 1smj h ASP 151 CO 0.02 -0.17 -0.48 0.74 -3.12 0.00 0.00 179.24 176.22 1smj h THR 152 N 0.08 0.07 -0.10 0.35 2.02 -1.22 -1.76 112.91 112.35 1smj h THR 152 Ca 0.36 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.52 1smj h THR 152 Cb 0.60 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1smj h THR 152 CO -0.63 0.00 -0.03 -0.29 0.37 0.00 0.00 175.52 174.94 1smj h ILE 153 N -0.48 1.09 -0.09 3.11 6.09 -0.95 0.43 117.51 126.71 1smj h ILE 153 Ca 0.07 -0.36 0.01 0.00 -1.37 0.00 0.00 64.86 63.21 1smj h ILE 153 Cb 0.64 1.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.96 1smj h ILE 153 CO -0.47 0.12 0.01 1.23 -3.07 0.00 0.00 178.15 175.96 1smj h GLY 154 N 0.39 0.09 0.69 8.18 0.00 -0.49 0.46 103.07 112.39 1smj h GLY 154 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.04 1smj h GLY 154 CO 0.01 -0.01 -1.69 -2.00 0.00 0.00 0.00 176.54 172.85 1smj h LEU 155 N 0.04 0.47 0.45 3.11 5.85 -1.02 0.43 115.31 124.65 1smj h LEU 155 Ca 0.04 -0.90 -0.02 0.00 0.84 0.00 0.00 57.88 57.84 1smj h LEU 155 Cb 0.04 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1smj h LEU 155 CO -0.07 1.75 -0.22 0.00 -0.34 0.00 0.00 178.44 179.56 1smj h GLY 157 N -0.65 0.29 0.00 0.00 0.00 -1.05 -3.39 103.07 98.27 1smj h GLY 157 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1smj h GLY 157 CO 0.10 0.15 0.00 0.69 0.00 0.00 0.00 176.54 177.48 1smj n PHE 158 N -4.33 0.00 -2.88 5.60 3.72 0.13 -2.21 117.46 117.49 1smj n PHE 158 Ca -0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1smj n PHE 158 Cb 0.22 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.79 1smj n PHE 158 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1smj n ASN 159 N 0.00 -5.07 -4.66 4.37 5.15 0.13 -4.91 115.26 110.27 1smj n ASN 159 Ca 0.00 -0.23 -0.30 0.00 -0.60 0.00 0.00 54.58 53.45 1smj n ASN 159 Cb 0.00 -3.90 -0.08 0.00 -0.53 0.00 0.00 39.78 35.27 1smj n ASN 159 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1smj s TYR 160 N -3.04 2.92 -0.41 1.20 5.04 -0.77 -4.91 117.35 117.38 1smj s TYR 160 Ca 0.25 -0.06 0.01 0.00 -2.44 0.00 0.00 57.07 54.82 1smj s TYR 160 Cb -0.11 -1.50 0.11 0.00 0.35 0.00 0.00 41.96 40.81 1smj s TYR 160 CO 0.31 0.47 0.17 1.03 -1.34 0.00 0.00 175.55 176.18 1smj s ARG 161 N -2.33 1.83 0.43 4.97 0.52 -1.26 -2.93 118.95 120.19 1smj s ARG 161 Ca 0.25 -1.98 0.17 0.00 -0.52 0.00 0.00 55.73 53.65 1smj s ARG 161 Cb -0.11 -3.42 0.99 0.00 0.52 0.00 0.00 34.95 32.92 1smj s ARG 161 CO 0.17 -1.03 1.94 0.74 0.02 0.00 0.00 175.30 177.14 1smj h PHE 162 N 7.65 0.00 -4.34 -0.53 0.04 -1.92 -3.47 116.94 114.37 1smj h PHE 162 Ca -0.08 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.38 1smj h PHE 162 Cb 1.01 0.00 0.09 0.00 2.20 0.00 0.00 35.95 39.25 1smj h PHE 162 CO 0.52 0.25 -0.51 0.09 -0.60 0.00 0.00 178.31 178.06 1smj n ASN 163 N -4.04 -5.31 -0.10 2.17 4.13 -1.26 -4.88 115.26 105.97 1smj n ASN 163 Ca -0.02 -0.35 0.21 0.00 1.68 0.00 0.00 54.58 56.10 1smj n ASN 163 Cb 0.32 -4.00 0.64 0.00 -1.54 0.00 0.00 39.78 35.20 1smj n ASN 163 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1smj h SER 164 N -1.75 0.12 1.22 6.41 0.02 -1.90 -0.67 113.55 117.01 1smj h SER 164 Ca -0.43 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1smj h SER 164 Cb 1.29 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1smj h SER 164 CO 0.44 0.06 -0.24 0.49 -1.14 0.00 0.00 176.83 176.43 1smj n PHE 165 N -4.39 0.76 1.17 3.45 3.72 -1.26 -1.71 117.46 119.20 1smj n PHE 165 Ca 0.13 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.75 1smj n PHE 165 Cb 0.67 -0.81 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 1smj n PHE 165 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1smj n TYR 166 N -2.18 0.00 -3.86 1.38 4.02 -0.26 -4.73 117.16 111.54 1smj n TYR 166 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.82 1smj n TYR 166 Cb 0.43 -0.03 -0.13 0.00 -0.02 0.00 0.00 39.34 39.59 1smj n TYR 166 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1smj s ARG 167 N -1.60 0.14 0.14 -0.72 1.70 -0.69 -5.03 118.95 112.88 1smj s ARG 167 Ca 0.00 0.02 0.22 0.00 -0.47 0.00 0.00 55.73 55.49 1smj s ARG 167 Cb 0.00 0.06 -0.09 0.00 -0.57 0.00 0.00 34.95 34.35 1smj s ARG 167 CO 0.00 -0.02 0.89 -0.40 -1.08 0.00 0.00 175.30 174.68 1smj n ASP 168 N 2.81 0.64 -4.91 -2.89 5.75 -1.26 -4.81 116.55 111.88 1smj n ASP 168 Ca -0.14 0.25 -0.32 0.00 -0.01 0.00 0.00 54.79 54.58 1smj n ASP 168 Cb 0.59 0.80 -0.04 0.00 -1.03 0.00 0.00 41.12 41.43 1smj n ASP 168 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1smj s GLN 169 N -3.36 3.52 1.06 0.11 -1.52 -1.26 -5.10 119.66 113.11 1smj s GLN 169 Ca -0.03 -0.27 -0.13 0.00 -1.95 0.00 0.00 55.36 52.99 1smj s GLN 169 Cb 0.10 -2.97 0.23 0.00 -0.22 0.00 0.00 33.01 30.15 1smj s GLN 169 CO 0.82 0.56 1.07 -2.14 -0.25 0.00 0.00 175.29 175.35 1smj s PRO 170 N -2.49 -0.11 0.04 2.91 0.02 -1.26 -4.88 135.00 129.24 1smj s PRO 170 Ca 0.36 0.61 -0.25 0.00 0.02 0.00 0.00 61.00 61.75 1smj s PRO 170 Cb -0.13 -1.67 -0.05 0.00 0.02 0.00 0.00 34.50 32.67 1smj s PRO 170 CO 0.25 -3.12 0.76 -1.58 -0.33 0.00 0.00 177.00 172.99 1smj s HIS 171 N -2.79 3.73 0.21 6.54 2.46 -1.26 -4.81 115.29 119.37 1smj s HIS 171 Ca 0.66 1.47 -0.01 0.00 0.47 0.00 0.00 55.06 57.65 1smj s HIS 171 Cb -0.21 -2.82 0.45 0.00 -0.13 0.00 0.00 32.58 29.87 1smj s HIS 171 CO 0.60 0.27 1.07 -2.30 -2.47 0.00 0.00 174.74 171.91 1smj n PRO 172 N 2.82 -0.06 0.28 2.88 -0.02 -1.26 -0.11 135.00 139.53 1smj n PRO 172 Ca -0.02 1.04 -0.16 0.00 -2.02 0.00 0.00 63.50 62.33 1smj n PRO 172 Cb 0.50 -1.62 -0.08 0.00 -0.02 0.00 0.00 33.50 32.28 1smj n PRO 172 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1smj h PHE 173 N 0.00 -0.76 -0.97 6.00 3.57 -1.91 -0.88 116.94 121.98 1smj h PHE 173 Ca 0.39 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.07 1smj h PHE 173 Cb 0.73 0.27 -0.18 0.00 2.79 0.00 0.00 35.95 39.56 1smj h PHE 173 CO -0.41 -0.45 -0.25 0.82 -2.23 0.00 0.00 178.31 175.79 1smj h ILE 174 N -0.73 0.02 -0.39 1.41 1.08 -0.88 0.84 117.51 118.86 1smj h ILE 174 Ca -0.06 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.36 1smj h ILE 174 Cb 0.60 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 1smj h ILE 174 CO 0.06 0.00 0.03 0.74 -0.69 0.00 0.00 178.15 178.30 1smj h THR 175 N -0.00 1.25 0.00 -0.27 2.02 -0.71 0.41 112.91 115.61 1smj h THR 175 Ca 0.46 -0.93 -0.17 0.00 0.77 0.00 0.00 66.41 66.54 1smj h THR 175 Cb 0.71 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1smj h THR 175 CO -1.00 0.32 -0.81 0.28 0.37 0.00 0.00 175.52 174.68 1smj h SER 176 N 0.51 0.00 0.49 4.18 0.02 -0.61 -2.23 113.55 115.91 1smj h SER 176 Ca 0.12 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1smj h SER 176 Cb 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1smj h SER 176 CO 0.01 0.81 -0.41 -0.03 -1.14 0.00 0.00 176.83 176.07 1smj h MET 177 N 0.00 0.00 0.04 3.45 -1.53 0.90 -2.43 114.93 115.36 1smj h MET 177 Ca -0.01 0.00 -0.27 0.00 -3.44 0.00 0.00 59.70 55.98 1smj h MET 177 Cb 1.52 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 32.59 1smj h MET 177 CO 0.10 0.41 -1.09 -0.39 0.14 0.00 0.00 176.91 176.08 1smj h VAL 178 N 0.00 1.31 -0.20 -5.77 -1.51 -0.31 -2.83 116.25 106.95 1smj h VAL 178 Ca -0.00 -2.38 -0.09 0.00 -1.23 0.00 0.00 66.70 63.00 1smj h VAL 178 Cb 0.76 2.50 -0.01 0.00 -2.13 0.00 0.00 31.29 32.41 1smj h VAL 178 CO 0.05 0.73 -0.26 0.03 -1.23 0.00 0.00 177.57 176.89 1smj h ARG 179 N 0.32 0.37 -0.45 5.19 3.08 -1.50 0.29 114.38 121.67 1smj h ARG 179 Ca -0.14 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1smj h ARG 179 Cb 1.75 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.75 1smj h ARG 179 CO 0.21 0.60 0.06 0.00 -1.07 0.00 0.00 179.97 179.78 1smj h ALA 180 N 1.40 1.27 0.05 0.04 0.00 -1.39 0.81 119.26 121.45 1smj h ALA 180 Ca 0.05 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 1smj h ALA 180 Cb 0.63 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1smj h ALA 180 CO 0.05 0.50 -1.06 -0.07 0.00 0.00 0.00 179.25 178.67 1smj h LEU 181 N 0.67 0.49 0.11 0.00 3.38 -0.89 -1.73 115.31 117.33 1smj h LEU 181 Ca 0.15 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1smj h LEU 181 Cb 0.32 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1smj h LEU 181 CO 0.01 1.27 -0.05 -0.78 0.09 0.00 0.00 178.44 178.97 1smj h ASP 182 N 0.17 -0.13 -0.96 -0.43 3.58 -0.89 -0.82 116.42 116.94 1smj h ASP 182 Ca -0.10 -0.24 0.29 0.00 0.42 0.00 0.00 57.03 57.40 1smj h ASP 182 Cb 1.73 0.03 -0.17 0.00 1.72 0.00 0.00 39.33 42.64 1smj h ASP 182 CO 0.18 0.18 0.22 -0.08 -2.88 0.00 0.00 179.24 176.86 1smj h GLU 183 N -0.44 0.08 -0.05 0.28 4.57 -0.80 0.69 114.58 118.92 1smj h GLU 183 Ca -0.02 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 1smj h GLU 183 Cb 0.36 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1smj h GLU 183 CO 0.03 0.05 -0.40 0.00 -1.18 0.00 0.00 179.01 177.50 1smj h ALA 184 N 1.92 1.24 0.00 2.92 0.00 -0.23 -0.40 119.26 124.71 1smj h ALA 184 Ca 0.64 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1smj h ALA 184 Cb 1.42 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1smj h ALA 184 CO -0.80 0.54 -0.08 1.98 0.00 0.00 0.00 179.25 180.90 1smj h MET 185 N 0.09 0.00 0.00 0.00 1.85 -0.43 -3.04 114.93 113.40 1smj h MET 185 Ca 0.01 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 1smj h MET 185 Cb 0.75 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.78 1smj h MET 185 CO 0.06 0.86 -0.05 -0.91 -0.40 0.00 0.00 176.91 176.47 1smj h ASN 186 N -1.00 0.00 0.31 1.39 2.35 -0.65 -1.54 115.58 116.45 1smj h ASN 186 Ca -0.02 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1smj h ASN 186 Cb 0.88 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 1smj h ASN 186 CO -0.01 0.05 -0.15 0.11 -1.65 0.00 0.00 177.43 175.77 1smj h LYS 187 N 0.00 0.00 0.00 0.81 1.57 -0.96 -0.21 116.57 117.78 1smj h LYS 187 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1smj h LYS 187 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1smj h LYS 187 CO 0.01 0.15 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.91 1smj h LEU 188 N 0.00 0.00 -2.56 2.94 3.38 -1.25 -2.94 115.31 114.89 1smj h LEU 188 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1smj h LEU 188 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1smj h LEU 188 CO 0.02 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1smj n GLN 189 N -3.84 2.86 -2.89 1.13 6.02 -0.09 -4.96 117.38 115.61 1smj n GLN 189 Ca -0.03 -2.44 -0.42 0.00 -0.01 0.00 0.00 57.00 54.11 1smj n GLN 189 Cb 0.15 -1.63 -0.04 0.00 1.02 0.00 0.00 30.24 29.74 1smj n GLN 189 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1smj s ARG 190 N -1.38 4.22 0.09 -1.09 0.52 -1.11 -4.89 118.95 115.31 1smj s ARG 190 Ca 0.45 0.97 -0.23 0.00 -0.52 0.00 0.00 55.73 56.39 1smj s ARG 190 Cb 0.25 -3.62 -0.15 0.00 0.52 0.00 0.00 34.95 31.95 1smj s ARG 190 CO 0.27 -0.46 1.72 0.00 0.02 0.00 0.00 175.30 176.85 1smj h ALA 191 N 7.57 -0.03 -2.72 2.13 0.00 -1.93 -3.39 119.26 120.90 1smj h ALA 191 Ca -0.25 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.05 1smj h ALA 191 Cb 1.10 0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.51 1smj h ALA 191 CO 0.86 -0.51 -0.82 -0.80 0.00 0.00 0.00 179.25 177.99 1smj s ASN 192 N -5.19 2.98 0.38 0.00 0.01 -1.26 -5.02 114.94 106.84 1smj s ASN 192 Ca -0.13 -2.77 0.19 0.00 -0.71 0.00 0.00 52.86 49.44 1smj s ASN 192 Cb 0.06 -0.77 1.19 0.00 0.41 0.00 0.00 41.25 42.14 1smj s ASN 192 CO 0.66 -0.23 1.67 1.55 -1.51 0.00 0.00 177.10 179.24 1smj h PRO 193 N 6.35 0.26 -0.00 -0.60 0.13 -1.96 -2.36 132.00 133.81 1smj h PRO 193 Ca 0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1smj h PRO 193 Cb 0.91 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1smj h PRO 193 CO 0.42 0.17 -0.06 -0.25 -0.23 0.00 0.00 178.00 178.05 1smj n ASP 194 N -4.90 0.42 -4.63 1.44 8.00 -1.26 -4.76 116.55 110.86 1smj n ASP 194 Ca 0.32 -0.71 -0.45 0.00 0.71 0.00 0.00 54.79 54.66 1smj n ASP 194 Cb 1.09 -0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 42.09 1smj n ASP 194 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1smj n ASP 195 N -0.89 2.00 0.26 -2.24 -0.08 -0.89 -4.84 116.55 109.87 1smj n ASP 195 Ca 0.17 1.16 0.18 0.00 -1.51 0.00 0.00 54.79 54.79 1smj n ASP 195 Cb 0.24 -1.35 0.91 0.00 2.34 0.00 0.00 41.12 43.26 1smj n ASP 195 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1smj h PRO 196 N 3.12 0.00 0.00 -0.67 0.11 -1.91 -0.92 132.00 131.72 1smj h PRO 196 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1smj h PRO 196 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1smj h PRO 196 CO 0.68 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.47 1smj n ALA 197 N -2.14 1.86 0.52 -0.75 0.00 -1.26 -1.74 120.51 116.99 1smj n ALA 197 Ca -0.00 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.52 1smj n ALA 197 Cb 0.31 -1.37 0.20 0.00 0.00 0.00 0.00 19.45 18.59 1smj n ALA 197 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1smj n TYR 198 N -1.96 0.64 -0.17 0.00 4.01 -0.35 -4.18 117.16 115.16 1smj n TYR 198 Ca 0.04 -0.31 -0.08 0.00 -0.16 0.00 0.00 57.90 57.38 1smj n TYR 198 Cb 0.27 -0.02 0.05 0.00 -0.31 0.00 0.00 39.34 39.33 1smj n TYR 198 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1smj h ASP 199 N 2.63 0.96 0.25 7.72 3.32 -1.44 -1.97 116.42 127.89 1smj h ASP 199 Ca 0.00 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1smj h ASP 199 Cb 0.65 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1smj h ASP 199 CO 0.02 1.06 -0.06 -0.33 -1.72 0.00 0.00 179.24 178.21 1smj h GLU 200 N 0.87 0.00 0.06 3.56 3.07 -1.80 -2.71 114.58 117.63 1smj h GLU 200 Ca 0.14 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.72 1smj h GLU 200 Cb 0.62 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.50 1smj h GLU 200 CO 0.04 0.06 -1.48 -0.91 -1.40 0.00 0.00 179.01 175.32 1smj h ASN 201 N 0.00 0.19 1.11 1.42 -0.26 -1.63 -2.09 115.58 114.32 1smj h ASN 201 Ca -0.00 -0.29 -0.01 0.00 -0.56 0.00 0.00 56.30 55.44 1smj h ASN 201 Cb 0.20 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1smj h ASN 201 CO 0.01 1.24 -0.04 0.11 -1.06 0.00 0.00 177.43 177.69 1smj h LYS 202 N 0.03 0.00 0.01 0.81 1.57 -1.07 -1.11 116.57 116.82 1smj h LYS 202 Ca -0.21 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 1smj h LYS 202 Cb 1.96 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.26 1smj h LYS 202 CO 0.13 0.04 -0.66 -0.09 -0.57 0.00 0.00 179.45 178.30 1smj h ARG 203 N 0.00 0.02 -1.00 3.15 2.43 -1.49 -2.78 114.38 114.71 1smj h ARG 203 Ca -0.00 -0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.31 1smj h ARG 203 Cb 0.61 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.07 1smj h ARG 203 CO 0.01 1.02 0.62 0.37 -1.51 0.00 0.00 179.97 180.47 1smj h GLN 204 N -0.94 0.76 -0.01 0.20 5.75 -1.23 -1.07 115.11 118.58 1smj h GLN 204 Ca -0.17 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.31 1smj h GLN 204 Cb 1.20 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.54 1smj h GLN 204 CO -0.08 0.51 -0.21 0.35 -2.65 0.00 0.00 178.83 176.75 1smj h PHE 205 N 0.79 -0.54 -0.53 3.99 3.57 -1.18 -2.06 116.94 120.97 1smj h PHE 205 Ca 0.56 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 62.03 1smj h PHE 205 Cb 0.85 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1smj h PHE 205 CO -0.00 -0.29 0.12 1.96 -2.23 0.00 0.00 178.31 177.86 1smj h GLN 206 N -0.33 0.82 0.12 1.11 1.08 -1.09 0.45 115.11 117.27 1smj h GLN 206 Ca 0.06 -0.17 0.02 0.00 -1.45 0.00 0.00 58.65 57.11 1smj h GLN 206 Cb 0.41 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 1smj h GLN 206 CO -0.20 0.75 -0.25 1.49 -0.95 0.00 0.00 178.83 179.67 1smj h GLU 207 N 0.79 -0.44 -0.07 1.46 4.81 -1.03 -0.87 114.58 119.23 1smj h GLU 207 Ca 0.17 0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.24 1smj h GLU 207 Cb 0.31 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1smj h GLU 207 CO 0.00 -0.29 -0.77 -0.44 -0.73 0.00 0.00 179.01 176.78 1smj h ASP 208 N -0.45 0.53 -0.95 1.04 3.32 -0.69 -2.39 116.42 116.83 1smj h ASP 208 Ca 0.03 -0.36 0.10 0.00 0.02 0.00 0.00 57.03 56.82 1smj h ASP 208 Cb 0.48 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 39.79 1smj h ASP 208 CO -0.14 1.12 0.59 0.40 -1.72 0.00 0.00 179.24 179.49 1smj h ILE 209 N 0.29 0.96 0.94 0.35 2.04 0.17 -2.31 117.51 119.96 1smj h ILE 209 Ca -0.04 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1smj h ILE 209 Cb 1.36 -0.11 0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1smj h ILE 209 CO 0.14 0.18 -0.47 0.11 0.00 0.00 0.00 178.15 178.11 1smj h LYS 210 N 0.98 -1.24 -0.67 2.37 1.79 -0.67 -2.36 116.57 116.77 1smj h LYS 210 Ca 0.45 0.08 0.12 0.00 -2.18 0.00 0.00 60.65 59.13 1smj h LYS 210 Cb 0.38 0.28 -0.12 0.00 -1.58 0.00 0.00 32.23 31.19 1smj h LYS 210 CO -0.24 -0.82 -0.22 0.28 -1.08 0.00 0.00 179.45 177.37 1smj n VAL 211 N -5.64 -0.32 -0.13 0.50 0.31 -1.00 0.37 118.33 112.41 1smj n VAL 211 Ca -0.16 1.56 -0.07 0.00 -0.01 0.00 0.00 64.34 65.66 1smj n VAL 211 Cb 0.51 -2.11 0.02 0.00 -0.91 0.00 0.00 33.84 31.35 1smj n VAL 211 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1smj h MET 212 N 0.00 0.46 -0.04 5.55 2.86 -1.00 -2.50 114.93 120.26 1smj h MET 212 Ca 0.27 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.77 1smj h MET 212 Cb 0.44 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1smj h MET 212 CO -0.68 0.30 -0.52 -0.91 1.06 0.00 0.00 176.91 176.16 1smj h ASN 213 N 0.47 0.11 0.48 1.22 2.35 -0.33 -1.78 115.58 118.09 1smj h ASN 213 Ca 0.17 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1smj h ASN 213 Cb 0.04 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1smj h ASN 213 CO -0.10 0.61 -0.47 0.44 -1.65 0.00 0.00 177.43 176.26 1smj h ASP 214 N 0.08 -1.30 -1.00 5.81 5.19 0.16 -0.27 116.42 125.08 1smj h ASP 214 Ca -0.00 0.10 0.22 0.00 -0.62 0.00 0.00 57.03 56.73 1smj h ASP 214 Cb 0.95 0.43 -0.11 0.00 0.18 0.00 0.00 39.33 40.78 1smj h ASP 214 CO 0.07 -0.64 0.61 0.25 -3.12 0.00 0.00 179.24 176.42 1smj h LEU 215 N -0.96 0.69 -0.73 1.55 5.85 -1.24 0.33 115.31 120.81 1smj h LEU 215 Ca -0.05 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1smj h LEU 215 Cb 0.84 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1smj h LEU 215 CO -0.06 0.19 0.28 0.58 -0.34 0.00 0.00 178.44 179.09 1smj h VAL 216 N 0.64 1.25 -0.93 1.05 2.07 -0.38 -0.24 116.25 119.71 1smj h VAL 216 Ca 0.60 -0.80 0.09 0.00 0.82 0.00 0.00 66.70 67.41 1smj h VAL 216 Cb 1.10 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1smj h VAL 216 CO -0.40 0.32 0.58 0.44 0.02 0.00 0.00 177.57 178.53 1smj h ASP 217 N 1.05 0.87 0.30 0.57 3.32 0.38 0.52 116.42 123.43 1smj h ASP 217 Ca 0.24 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 1smj h ASP 217 Cb 0.22 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1smj h ASP 217 CO -0.02 0.51 -0.37 0.11 -1.72 0.00 0.00 179.24 177.75 1smj h LYS 218 N 0.98 0.11 0.24 3.56 1.79 0.01 -2.18 116.57 121.08 1smj h LYS 218 Ca 0.43 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.85 1smj h LYS 218 Cb 0.32 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1smj h LYS 218 CO -0.22 0.47 -0.11 0.82 -1.08 0.00 0.00 179.45 179.32 1smj h ILE 219 N 0.10 0.23 -0.30 1.86 2.04 0.11 -2.81 117.51 118.72 1smj h ILE 219 Ca 0.01 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.07 1smj h ILE 219 Cb 0.70 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 1smj h ILE 219 CO 0.05 0.06 -0.16 0.40 0.00 0.00 0.00 178.15 178.50 1smj h ILE 220 N -1.05 0.51 -0.47 -0.67 2.04 -0.18 -2.22 117.51 115.47 1smj h ILE 220 Ca -0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.87 1smj h ILE 220 Cb 0.35 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1smj h ILE 220 CO 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.92 1smj n ALA 221 N -2.73 -0.30 0.34 1.87 0.00 -0.82 -1.92 120.51 116.95 1smj n ALA 221 Ca 0.00 0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.97 1smj n ALA 221 Cb 0.25 -0.06 0.20 0.00 0.00 0.00 0.00 19.45 19.84 1smj n ALA 221 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1smj h ASP 222 N 0.00 0.00 0.48 0.00 -0.00 -1.14 -2.38 116.42 113.38 1smj h ASP 222 Ca 0.08 -0.02 -0.11 0.00 -0.00 0.00 0.00 57.03 56.97 1smj h ASP 222 Cb 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.51 1smj h ASP 222 CO -0.44 0.01 -0.51 -0.09 -0.00 0.00 0.00 179.24 178.21 1smj h ARG 223 N 0.00 0.04 0.62 0.28 9.65 -0.97 -3.33 114.38 120.66 1smj h ARG 223 Ca 0.00 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 1smj h ARG 223 Cb 0.91 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.49 1smj h ARG 223 CO 0.00 0.54 -0.30 0.87 2.80 0.00 0.00 179.97 183.88 1smj h LYS 224 N 0.03 -0.80 -2.24 0.20 1.79 -0.88 -3.29 116.57 111.37 1smj h LYS 224 Ca -0.00 0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 1smj h LYS 224 Cb 0.92 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.73 1smj h LYS 224 CO 0.07 -0.54 -0.02 0.00 -1.08 0.00 0.00 179.45 177.88 1smj n ALA 225 N -2.54 3.75 -3.06 3.86 0.00 -1.02 -4.90 120.51 116.60 1smj n ALA 225 Ca -0.10 -0.67 -0.15 0.00 0.00 0.00 0.00 53.44 52.51 1smj n ALA 225 Cb 0.33 -1.94 -0.15 0.00 0.00 0.00 0.00 19.45 17.69 1smj n ALA 225 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1smj s SER 226 N 2.24 0.45 -0.85 0.00 1.04 -1.24 -4.98 113.70 110.35 1smj s SER 226 Ca 0.24 -0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.35 1smj s SER 226 Cb 0.12 -0.11 -0.16 0.00 0.10 0.00 0.00 66.02 65.97 1smj s SER 226 CO 0.00 0.01 2.35 -0.83 0.98 0.00 0.00 173.24 175.75 1smj s GLY 227 N 0.23 -0.92 0.00 7.32 0.00 -1.26 -4.89 107.32 107.80 1smj s GLY 227 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1smj s GLY 227 CO -0.00 4.26 0.00 -1.84 0.00 0.00 0.00 173.10 175.52 1smj n GLU 228 N 8.68 0.00 -2.61 2.90 0.28 -1.26 -4.92 120.64 123.70 1smj n GLU 228 Ca 0.46 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 57.31 1smj n GLU 228 Cb 0.44 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.32 1smj n GLU 228 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1smj n GLN 229 N 0.00 -2.66 -2.08 3.44 1.13 -1.26 -5.05 117.38 110.90 1smj n GLN 229 Ca 0.00 0.66 -0.41 0.00 -1.94 0.00 0.00 57.00 55.31 1smj n GLN 229 Cb 0.00 -4.95 -0.02 0.00 0.11 0.00 0.00 30.24 25.38 1smj n GLN 229 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1smj s SER 230 N -2.65 6.68 -0.25 1.08 0.01 -1.26 -4.97 113.70 112.34 1smj s SER 230 Ca 0.14 2.71 0.12 0.00 1.31 0.00 0.00 55.95 60.24 1smj s SER 230 Cb -0.06 -2.65 0.56 0.00 0.21 0.00 0.00 66.02 64.08 1smj s SER 230 CO 0.17 -0.60 1.51 -0.67 0.41 0.00 0.00 173.24 174.06 1smj n ASP 231 N 0.68 3.47 -4.23 2.44 2.03 -1.26 -4.82 116.55 114.86 1smj n ASP 231 Ca 0.01 -3.36 -0.30 0.00 0.52 0.00 0.00 54.79 51.66 1smj n ASP 231 Cb 0.42 -0.62 0.19 0.00 -0.72 0.00 0.00 41.12 40.39 1smj n ASP 231 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1smj s ASP 232 N -2.02 2.47 0.34 1.67 1.47 -1.26 -4.82 116.67 114.52 1smj s ASP 232 Ca 0.46 0.61 0.21 0.00 1.18 0.00 0.00 52.55 55.01 1smj s ASP 232 Cb 0.39 -0.89 1.21 0.00 -0.34 0.00 0.00 42.92 43.29 1smj s ASP 232 CO 0.06 -3.16 1.38 0.18 0.68 0.00 0.00 175.17 174.31 1smj n LEU 233 N -4.11 0.28 -0.04 2.11 4.77 -1.07 -2.76 117.00 116.18 1smj n LEU 233 Ca 0.12 1.40 -0.13 0.00 -0.03 0.00 0.00 56.01 57.36 1smj n LEU 233 Cb 0.59 -0.68 -0.11 0.00 -2.33 0.00 0.00 43.42 40.89 1smj n LEU 233 CO 0.49 -1.55 0.53 0.25 -1.33 0.00 0.00 177.39 175.77 1smj h LEU 234 N 0.00 0.01 -0.47 2.23 5.85 -1.81 -0.17 115.31 120.94 1smj h LEU 234 Ca 0.75 -0.71 0.10 0.00 0.84 0.00 0.00 57.88 58.86 1smj h LEU 234 Cb 2.10 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 43.03 1smj h LEU 234 CO -0.61 0.71 -0.15 0.71 -0.34 0.00 0.00 178.44 178.76 1smj h THR 235 N -0.69 0.46 0.30 1.05 1.35 -1.86 0.02 112.91 113.55 1smj h THR 235 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1smj h THR 235 Cb 0.71 0.46 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 1smj h THR 235 CO 0.00 0.00 -0.32 0.45 -0.25 0.00 0.00 175.52 175.40 1smj h HIS 236 N -0.04 -0.86 0.00 4.73 3.86 -1.49 0.27 115.15 121.62 1smj h HIS 236 Ca 0.23 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1smj h HIS 236 Cb 0.39 0.34 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1smj h HIS 236 CO -0.44 -0.45 0.00 -1.33 0.86 0.00 0.00 177.93 176.57 1smj n MET 237 N -5.43 0.00 0.00 2.45 2.00 -0.08 -0.97 117.12 115.09 1smj n MET 237 Ca -0.09 0.63 0.00 0.00 0.00 0.00 0.00 57.70 58.24 1smj n MET 237 Cb 0.34 -1.09 0.00 0.00 0.00 0.00 0.00 33.22 32.47 1smj n MET 237 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1smj n LEU 238 N -1.71 0.00 0.00 4.03 4.77 -0.03 -4.27 117.00 119.79 1smj n LEU 238 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1smj n LEU 238 Cb 0.00 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1smj n LEU 238 CO 0.00 -0.21 0.00 0.59 -1.33 0.00 0.00 177.39 176.44 1smj n ASN 239 N -1.19 0.00 -4.37 -1.43 5.03 0.93 -5.00 115.26 109.23 1smj n ASN 239 Ca 0.00 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.12 1smj n ASN 239 Cb 0.27 0.00 0.12 0.00 -1.02 0.00 0.00 39.78 39.15 1smj n ASN 239 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1smj n GLY 240 N -0.07 -2.25 3.03 7.41 0.00 -0.14 -4.99 105.19 108.17 1smj n GLY 240 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 1smj n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smj s LYS 241 N -3.49 1.00 -0.10 1.61 1.02 -1.26 -4.33 119.74 114.19 1smj s LYS 241 Ca 0.55 -0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.90 1smj s LYS 241 Cb -0.20 -0.94 -0.03 0.00 -0.52 0.00 0.00 37.83 36.15 1smj s LYS 241 CO 0.68 0.16 1.30 0.34 -0.92 0.00 0.00 175.35 176.91 1smj s ASP 242 N 0.05 6.94 0.43 2.83 2.15 0.84 -4.75 116.67 125.17 1smj s ASP 242 Ca -0.01 1.84 0.30 0.00 0.43 0.00 0.00 52.55 55.11 1smj s ASP 242 Cb -0.08 -2.55 1.41 0.00 -0.30 0.00 0.00 42.92 41.41 1smj s ASP 242 CO 0.00 -0.72 1.90 -0.65 -0.17 0.00 0.00 175.17 175.54 1smj h PRO 243 N 8.04 0.00 0.18 4.34 0.11 -1.92 0.72 132.00 143.48 1smj h PRO 243 Ca -0.31 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.49 1smj h PRO 243 Cb 1.14 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.26 1smj h PRO 243 CO 0.93 0.00 -1.42 1.49 -0.21 0.00 0.00 178.00 178.79 1smj h GLU 244 N 0.00 0.37 -0.01 1.05 4.81 -1.95 -3.36 114.58 115.49 1smj h GLU 244 Ca 0.00 -0.64 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 1smj h GLU 244 Cb 0.25 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1smj h GLU 244 CO 0.00 1.29 -0.01 0.25 -0.73 0.00 0.00 179.01 179.81 1smj n THR 245 N -3.59 0.00 0.00 0.32 -2.24 -0.81 -4.96 114.28 103.01 1smj n THR 245 Ca -0.14 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1smj n THR 245 Cb 1.06 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 70.44 1smj n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1smj n GLY 246 N 0.42 1.64 3.78 3.38 0.00 0.25 -4.94 105.19 109.72 1smj n GLY 246 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1smj n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1smj s GLU 247 N 0.00 3.26 0.00 1.61 0.41 -1.25 -4.49 118.70 118.23 1smj s GLU 247 Ca 0.00 1.42 0.00 0.00 -0.41 0.00 0.00 54.97 55.98 1smj s GLU 247 Cb 0.00 -2.01 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 1smj s GLU 247 CO 0.00 -0.89 0.00 -0.35 -0.49 0.00 0.00 175.26 173.53 1smj n PRO 248 N -1.72 2.33 -3.94 0.39 -0.04 -1.26 -0.11 135.00 130.66 1smj n PRO 248 Ca 0.10 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.21 1smj n PRO 248 Cb 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.90 1smj n PRO 248 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1smj s LEU 249 N 0.00 4.08 0.52 1.53 1.43 -1.26 -4.88 118.68 120.09 1smj s LEU 249 Ca 0.00 0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.14 1smj s LEU 249 Cb 0.00 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 44.14 1smj s LEU 249 CO 0.00 0.28 1.12 -0.90 0.23 0.00 0.00 176.35 177.08 1smj n ASP 250 N 2.84 1.64 -0.39 2.29 5.68 -1.26 -4.74 116.55 122.62 1smj n ASP 250 Ca -0.18 0.95 0.32 0.00 -0.50 0.00 0.00 54.79 55.39 1smj n ASP 250 Cb 0.53 -1.44 0.63 0.00 -1.14 0.00 0.00 41.12 39.70 1smj n ASP 250 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1smj h ASP 251 N 1.22 0.24 0.06 -1.12 3.32 -1.99 -2.34 116.42 115.81 1smj h ASP 251 Ca -0.48 0.07 -0.21 0.00 0.02 0.00 0.00 57.03 56.43 1smj h ASP 251 Cb 1.33 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1smj h ASP 251 CO 0.55 -0.02 -0.79 -0.08 -1.72 0.00 0.00 179.24 177.18 1smj h GLU 252 N 0.18 0.61 0.06 3.56 4.81 -2.00 -2.99 114.58 118.79 1smj h GLU 252 Ca 0.68 -0.51 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1smj h GLU 252 Cb 2.18 0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.67 1smj h GLU 252 CO -0.24 1.14 -0.03 -0.97 -0.73 0.00 0.00 179.01 178.18 1smj h ASN 253 N 0.40 -0.07 -0.55 1.04 -0.73 -1.82 -2.85 115.58 111.01 1smj h ASN 253 Ca -0.05 -0.57 0.20 0.00 1.87 0.00 0.00 56.30 57.76 1smj h ASN 253 Cb 1.40 0.02 -0.07 0.00 0.27 0.00 0.00 38.32 39.94 1smj h ASN 253 CO 0.15 0.64 0.34 -0.38 -0.37 0.00 0.00 177.43 177.80 1smj n ILE 254 N -4.78 -0.14 0.05 2.57 5.41 -0.92 -0.82 119.36 120.74 1smj n ILE 254 Ca -0.08 0.85 0.08 0.00 1.00 0.00 0.00 62.75 64.61 1smj n ILE 254 Cb 0.31 -1.38 -0.06 0.00 -0.71 0.00 0.00 39.64 37.79 1smj n ILE 254 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1smj n ARG 255 N -3.73 0.63 -0.01 0.38 0.00 -1.09 -0.44 116.66 112.39 1smj n ARG 255 Ca 0.18 0.06 -0.13 0.00 -0.00 0.00 0.00 57.85 57.95 1smj n ARG 255 Cb 0.65 -1.73 -0.01 0.00 0.00 0.00 0.00 32.46 31.37 1smj n ARG 255 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 1smj h TYR 256 N 0.00 0.87 -0.07 -0.14 0.05 -0.93 -2.92 116.97 113.82 1smj h TYR 256 Ca -0.05 -0.35 -0.16 0.00 0.05 0.00 0.00 58.73 58.22 1smj h TYR 256 Cb 1.16 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.74 1smj h TYR 256 CO 0.00 1.14 -0.66 1.96 -1.05 0.00 0.00 178.16 179.55 1smj h GLN 257 N 0.49 0.28 0.47 4.88 1.08 -0.79 -0.17 115.11 121.35 1smj h GLN 257 Ca -0.02 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 1smj h GLN 257 Cb 1.24 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.69 1smj h GLN 257 CO 0.13 0.84 -0.43 0.82 -0.95 0.00 0.00 178.83 179.23 1smj h ILE 258 N 0.20 0.13 -0.30 2.54 2.04 -0.80 0.17 117.51 121.49 1smj h ILE 258 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1smj h ILE 258 Cb 1.19 0.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 1smj h ILE 258 CO 0.10 0.00 -0.17 0.40 0.00 0.00 0.00 178.15 178.49 1smj h ILE 259 N -0.91 0.51 -0.45 -0.67 2.04 -1.44 -0.96 117.51 115.63 1smj h ILE 259 Ca -0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.90 1smj h ILE 259 Cb 0.79 0.51 -0.10 0.00 -0.74 0.00 0.00 36.82 37.28 1smj h ILE 259 CO -0.04 0.00 -0.34 0.74 0.00 0.00 0.00 178.15 178.51 1smj h THR 260 N -0.13 0.20 -0.34 -0.27 2.02 -0.81 0.76 112.91 114.34 1smj h THR 260 Ca 0.16 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.25 1smj h THR 260 Cb 0.37 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1smj h THR 260 CO -0.38 0.00 -0.14 -0.26 0.37 0.00 0.00 175.52 175.11 1smj h PHE 261 N -0.24 0.66 0.00 3.16 -1.00 0.66 -0.41 116.94 119.78 1smj h PHE 261 Ca 0.18 -0.11 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 1smj h PHE 261 Cb 0.55 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1smj h PHE 261 CO -0.57 0.71 -0.41 -0.07 -1.61 0.00 0.00 178.31 176.36 1smj h LEU 262 N 0.55 0.00 0.00 1.54 3.38 -0.93 -2.12 115.31 117.73 1smj h LEU 262 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1smj h LEU 262 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1smj h LEU 262 CO 0.04 0.41 0.00 -0.38 0.09 0.00 0.00 178.44 178.60 1smj n ILE 263 N -3.58 0.00 -0.05 1.22 5.41 0.22 -4.39 119.36 118.18 1smj n ILE 263 Ca -0.00 0.08 0.25 0.00 1.00 0.00 0.00 62.75 64.08 1smj n ILE 263 Cb 0.53 -0.61 0.67 0.00 -0.71 0.00 0.00 39.64 39.52 1smj n ILE 263 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1smj h GLU 264 N 0.00 0.00 -0.70 0.38 4.57 -1.29 0.17 114.58 117.71 1smj h GLU 264 Ca 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.87 1smj h GLU 264 Cb 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 28.41 1smj h GLU 264 CO 0.00 0.00 0.31 0.41 -1.18 0.00 0.00 179.01 178.55 1smj n GLY 265 N -1.59 4.34 1.89 1.92 0.00 -0.80 -4.23 105.19 106.72 1smj n GLY 265 Ca 0.14 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1smj n GLY 265 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1smj n HIS 266 N -0.82 -0.95 -0.26 1.61 1.44 0.04 -4.75 115.22 111.53 1smj n HIS 266 Ca 0.45 0.17 0.01 0.00 -2.01 0.00 0.00 57.72 56.33 1smj n HIS 266 Cb 1.37 0.48 0.08 0.00 0.12 0.00 0.00 29.99 32.03 1smj n HIS 266 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1smj h GLU 267 N 0.00 -0.03 -0.25 -1.40 4.57 -1.79 -1.57 114.58 114.11 1smj h GLU 267 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1smj h GLU 267 Cb 0.07 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1smj h GLU 267 CO 0.00 -0.02 0.02 1.79 -1.18 0.00 0.00 179.01 179.62 1smj h THR 268 N -0.03 1.15 0.14 0.32 1.35 -1.81 -2.85 112.91 111.18 1smj h THR 268 Ca 0.35 -0.56 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 1smj h THR 268 Cb 0.56 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1smj h THR 268 CO -0.78 0.19 -0.07 0.74 -0.25 0.00 0.00 175.52 175.35 1smj h THR 269 N 0.36 1.03 0.00 6.82 2.02 -1.81 -2.59 112.91 118.74 1smj h THR 269 Ca 0.08 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 1smj h THR 269 Cb 0.21 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1smj h THR 269 CO 0.00 0.23 -0.04 0.77 0.37 0.00 0.00 175.52 176.85 1smj h SER 270 N -0.69 0.00 -0.41 4.18 4.64 -1.32 0.91 113.55 120.86 1smj h SER 270 Ca -0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1smj h SER 270 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1smj h SER 270 CO 0.03 0.04 0.08 1.23 -0.87 0.00 0.00 176.83 177.34 1smj h GLY 271 N 0.28 0.72 0.61 -0.77 0.00 -1.36 -1.79 103.07 100.75 1smj h GLY 271 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1smj h GLY 271 CO 0.00 0.44 -0.06 -2.00 0.00 0.00 0.00 176.54 174.93 1smj h LEU 272 N 0.53 -0.13 -1.42 3.11 5.85 -0.76 0.09 115.31 122.57 1smj h LEU 272 Ca 0.13 -0.31 0.26 0.00 0.84 0.00 0.00 57.88 58.79 1smj h LEU 272 Cb 0.35 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 1smj h LEU 272 CO 0.01 0.26 0.67 -0.07 -0.34 0.00 0.00 178.44 178.96 1smj h LEU 273 N -0.55 0.42 0.05 2.25 3.38 -0.78 0.38 115.31 120.46 1smj h LEU 273 Ca -0.02 0.07 -0.29 0.00 0.09 0.00 0.00 57.88 57.73 1smj h LEU 273 Cb 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1smj h LEU 273 CO 0.03 0.10 -1.57 0.28 0.09 0.00 0.00 178.44 177.36 1smj h SER 274 N 0.38 0.16 -0.29 -0.43 0.02 -0.47 0.08 113.55 112.99 1smj h SER 274 Ca 0.57 -0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 61.18 1smj h SER 274 Cb 1.48 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 1smj h SER 274 CO -0.26 1.23 -0.05 -0.26 -1.14 0.00 0.00 176.83 176.36 1smj h PHE 275 N 0.03 0.71 0.07 3.45 0.04 -0.36 -1.07 116.94 119.80 1smj h PHE 275 Ca -0.24 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.42 1smj h PHE 275 Cb 1.98 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.93 1smj h PHE 275 CO 0.03 0.70 -0.03 0.00 -0.60 0.00 0.00 178.31 178.41 1smj h ALA 276 N 1.33 -0.09 0.00 2.45 0.00 0.47 -0.87 119.26 122.55 1smj h ALA 276 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1smj h ALA 276 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1smj h ALA 276 CO 0.02 -0.53 0.00 1.25 0.00 0.00 0.00 179.25 179.99 1smj h LEU 277 N -0.13 0.00 0.00 0.00 5.85 -0.94 -0.88 115.31 119.21 1smj h LEU 277 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1smj h LEU 277 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1smj h LEU 277 CO 0.02 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.12 1smj n TYR 278 N -2.99 0.00 0.31 1.25 9.36 -0.41 -1.69 117.16 122.99 1smj n TYR 278 Ca 0.01 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.42 1smj n TYR 278 Cb 0.30 -0.44 1.06 0.00 -0.63 0.00 0.00 39.34 39.63 1smj n TYR 278 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1smj h PHE 279 N 0.00 0.00 0.42 2.98 0.04 -0.77 0.59 116.94 120.20 1smj h PHE 279 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1smj h PHE 279 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1smj h PHE 279 CO 0.14 0.00 -0.20 -0.07 -0.60 0.00 0.00 178.31 177.58 1smj h LEU 280 N 0.00 -0.48 -0.86 1.54 3.38 -1.17 -1.58 115.31 116.14 1smj h LEU 280 Ca 0.00 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1smj h LEU 280 Cb 0.03 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1smj h LEU 280 CO -0.00 -0.12 0.54 0.58 0.09 0.00 0.00 178.44 179.53 1smj h VAL 281 N -0.89 1.07 0.00 1.22 2.07 0.10 1.25 116.25 121.07 1smj h VAL 281 Ca -0.06 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1smj h VAL 281 Cb 0.56 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1smj h VAL 281 CO 0.09 0.18 0.00 0.29 0.02 0.00 0.00 177.57 178.16 1smj n LYS 282 N -4.60 0.34 -3.47 1.57 4.76 -0.28 -4.32 118.16 112.18 1smj n LYS 282 Ca 0.12 0.08 -0.29 0.00 -2.87 0.00 0.00 58.31 55.35 1smj n LYS 282 Cb 0.15 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.72 1smj n LYS 282 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1smj s ASN 283 N -2.33 2.71 0.16 4.39 0.01 0.43 -5.03 114.94 115.27 1smj s ASN 283 Ca 0.19 -2.41 0.26 0.00 -0.71 0.00 0.00 52.86 50.19 1smj s ASN 283 Cb 0.11 -0.46 0.73 0.00 0.41 0.00 0.00 41.25 42.05 1smj s ASN 283 CO 0.22 -0.28 1.67 -0.81 -1.51 0.00 0.00 177.10 176.39 1smj n PRO 284 N 3.75 0.23 0.13 -0.60 -0.05 -1.25 -1.92 135.00 135.28 1smj n PRO 284 Ca 0.15 0.15 -0.08 0.00 -0.05 0.00 0.00 63.50 63.68 1smj n PRO 284 Cb 0.39 -1.73 -0.05 0.00 -0.05 0.00 0.00 33.50 32.06 1smj n PRO 284 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 1smj h HIS 285 N 0.00 -0.37 -0.50 0.54 3.86 -1.95 -2.56 115.15 114.17 1smj h HIS 285 Ca 0.00 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.30 1smj h HIS 285 Cb 0.71 0.12 -0.10 0.00 1.06 0.00 0.00 27.41 29.20 1smj h HIS 285 CO 0.00 -0.13 -0.23 0.28 0.86 0.00 0.00 177.93 178.72 1smj h VAL 286 N -1.05 0.33 -0.86 2.45 2.07 -1.77 1.03 116.25 118.45 1smj h VAL 286 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.59 1smj h VAL 286 Cb 0.41 0.33 -0.13 0.00 -1.52 0.00 0.00 31.29 30.39 1smj h VAL 286 CO 0.07 0.00 -0.48 0.25 0.02 0.00 0.00 177.57 177.42 1smj h LEU 287 N -0.11 -1.74 -0.14 2.57 6.46 -1.50 -1.89 115.31 118.95 1smj h LEU 287 Ca 0.23 0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 58.28 1smj h LEU 287 Cb 0.48 0.81 -0.01 0.00 -0.73 0.00 0.00 40.66 41.21 1smj h LEU 287 CO -0.57 -0.29 0.04 -0.61 -0.62 0.00 0.00 178.44 176.40 1smj h GLN 288 N -0.08 0.22 -0.41 1.25 4.15 0.14 0.79 115.11 121.17 1smj h GLN 288 Ca 0.22 -0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.68 1smj h GLN 288 Cb 0.52 -0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.09 1smj h GLN 288 CO -0.87 0.35 -0.32 -0.22 -1.93 0.00 0.00 178.83 175.83 1smj h LYS 289 N 0.05 -0.23 0.00 1.69 3.64 -0.81 0.46 116.57 121.36 1smj h LYS 289 Ca 0.05 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1smj h LYS 289 Cb 0.22 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1smj h LYS 289 CO -0.00 -0.15 -0.21 0.00 -2.27 0.00 0.00 179.45 176.81 1smj h ALA 290 N 0.79 1.06 0.00 5.00 0.00 -0.85 -2.71 119.26 122.55 1smj h ALA 290 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1smj h ALA 290 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1smj h ALA 290 CO -0.55 0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.97 1smj n ALA 291 N -2.23 2.27 -0.09 0.00 0.00 0.27 -3.06 120.51 117.67 1smj n ALA 291 Ca -0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 1smj n ALA 291 Cb 0.40 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 1smj n ALA 291 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1smj n GLU 292 N -1.46 0.52 0.00 0.00 1.02 -0.58 -2.84 120.64 117.31 1smj n GLU 292 Ca 0.08 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1smj n GLU 292 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1smj n GLU 292 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1smj n GLU 293 N -4.46 0.00 -0.31 3.49 2.13 -1.04 0.12 120.64 120.55 1smj n GLU 293 Ca -0.18 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.80 1smj n GLU 293 Cb 0.52 0.00 0.33 0.00 0.27 0.00 0.00 31.44 32.56 1smj n GLU 293 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1smj h ALA 294 N 0.00 1.39 0.00 4.31 0.00 -1.69 0.79 119.26 124.06 1smj h ALA 294 Ca 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1smj h ALA 294 Cb 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1smj h ALA 294 CO 0.00 -0.56 -0.26 0.00 0.00 0.00 0.00 179.25 178.42 1smj h ALA 295 N 1.87 1.56 -0.00 0.00 0.00 -0.17 -2.11 119.26 120.42 1smj h ALA 295 Ca 0.61 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1smj h ALA 295 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1smj h ALA 295 CO -0.74 0.33 -0.78 2.89 0.00 0.00 0.00 179.25 180.94 1smj n ARG 296 N -4.22 1.28 -0.06 0.00 1.85 0.08 -4.10 116.66 111.49 1smj n ARG 296 Ca -0.02 -0.07 -0.21 0.00 -1.00 0.00 0.00 57.85 56.55 1smj n ARG 296 Cb 0.31 -1.32 -0.13 0.00 -1.05 0.00 0.00 32.46 30.27 1smj n ARG 296 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1smj n VAL 297 N -1.30 1.65 -1.73 8.89 0.31 -0.08 -4.65 118.33 121.42 1smj n VAL 297 Ca 0.04 -0.57 -0.40 0.00 -0.01 0.00 0.00 64.34 63.40 1smj n VAL 297 Cb 0.28 -1.66 -0.01 0.00 -0.91 0.00 0.00 33.84 31.54 1smj n VAL 297 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1smj n LEU 298 N -3.52 8.01 0.21 7.52 4.77 -0.80 -4.52 117.00 128.67 1smj n LEU 298 Ca -0.38 -4.55 0.13 0.00 -0.03 0.00 0.00 56.01 51.18 1smj n LEU 298 Cb 0.99 -1.50 0.35 0.00 -2.33 0.00 0.00 43.42 40.94 1smj n LEU 298 CO 0.33 1.85 0.87 -0.37 -1.33 0.00 0.00 177.39 178.75 1smj h VAL 299 N 3.09 0.00 -3.29 4.08 -1.51 -1.83 -3.42 116.25 113.38 1smj h VAL 299 Ca 0.72 -0.75 -0.56 0.00 -1.23 0.00 0.00 66.70 64.87 1smj h VAL 299 Cb 0.38 1.73 -0.04 0.00 -2.13 0.00 0.00 31.29 31.23 1smj h VAL 299 CO 1.68 0.00 -0.01 -1.81 -1.23 0.00 0.00 177.57 176.20 1smj s ASP 300 N -5.69 7.07 0.28 4.19 1.01 -1.26 -4.97 116.67 117.30 1smj s ASP 300 Ca 0.06 1.29 0.02 0.00 0.71 0.00 0.00 52.55 54.63 1smj s ASP 300 Cb 0.07 -2.37 0.68 0.00 1.01 0.00 0.00 42.92 42.31 1smj s ASP 300 CO 0.61 0.24 1.40 -2.65 0.21 0.00 0.00 175.17 174.98 1smj n PRO 301 N 1.56 -0.07 -4.90 8.23 -0.02 -1.26 -4.28 135.00 134.26 1smj n PRO 301 Ca -0.09 1.34 -0.30 0.00 -2.02 0.00 0.00 63.50 62.43 1smj n PRO 301 Cb 0.51 -2.13 -0.17 0.00 -0.02 0.00 0.00 33.50 31.69 1smj n PRO 301 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1smj s VAL 302 N -5.87 1.75 0.98 -1.45 1.01 -1.26 -4.67 120.40 110.90 1smj s VAL 302 Ca -0.12 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 60.90 1smj s VAL 302 Cb 0.26 -1.55 0.18 0.00 0.00 0.00 0.00 36.38 35.28 1smj s VAL 302 CO 0.70 0.49 1.14 -2.84 0.00 0.00 0.00 175.10 174.59 1smj s PRO 303 N 0.56 0.56 0.02 2.72 0.02 -1.26 -4.99 135.00 132.63 1smj s PRO 303 Ca -0.15 0.23 0.01 0.00 0.02 0.00 0.00 61.00 61.11 1smj s PRO 303 Cb -0.17 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 1smj s PRO 303 CO 0.05 -2.58 -0.04 -1.54 -0.33 0.00 0.00 177.00 172.56 1smj s SER 304 N -3.93 0.39 0.50 2.53 1.04 -1.26 -5.01 113.70 107.95 1smj s SER 304 Ca 0.66 -0.38 0.44 0.00 0.48 0.00 0.00 55.95 57.15 1smj s SER 304 Cb -0.14 0.05 1.58 0.00 0.10 0.00 0.00 66.02 67.60 1smj s SER 304 CO 0.55 -0.19 1.45 0.00 0.98 0.00 0.00 173.24 176.03 1smj n TYR 305 N 1.96 0.12 -0.00 5.02 4.19 -1.26 0.23 117.16 127.42 1smj n TYR 305 Ca -0.20 0.12 -0.20 0.00 3.31 0.00 0.00 57.90 60.92 1smj n TYR 305 Cb 0.56 -0.57 -0.14 0.00 0.49 0.00 0.00 39.34 39.68 1smj n TYR 305 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1smj n LYS 306 N -3.92 0.74 -0.05 2.98 4.01 -1.26 -1.21 118.16 119.45 1smj n LYS 306 Ca 0.41 0.26 -0.09 0.00 -0.51 0.00 0.00 58.31 58.38 1smj n LYS 306 Cb 1.81 -1.71 -0.06 0.00 -0.51 0.00 0.00 35.03 34.56 1smj n LYS 306 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1smj h GLN 307 N 0.06 -0.29 -0.69 1.97 4.20 -0.59 -1.03 115.11 118.74 1smj h GLN 307 Ca -0.42 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.44 1smj h GLN 307 Cb 2.03 0.07 -0.13 0.00 0.30 0.00 0.00 27.48 29.74 1smj h GLN 307 CO 0.08 -0.20 -0.22 0.28 -0.67 0.00 0.00 178.83 178.10 1smj h VAL 308 N -0.30 0.25 -0.23 -0.54 2.07 -1.45 -1.45 116.25 114.60 1smj h VAL 308 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1smj h VAL 308 Cb 0.40 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1smj h VAL 308 CO -0.33 0.00 0.46 0.11 0.02 0.00 0.00 177.57 177.83 1smj h LYS 309 N -0.04 0.00 0.00 1.57 1.79 0.07 -1.33 116.57 118.62 1smj h LYS 309 Ca 0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 1smj h LYS 309 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1smj h LYS 309 CO -0.72 0.00 -0.82 1.96 -1.08 0.00 0.00 179.45 178.78 1smj h GLN 310 N 0.00 0.00 -3.56 3.15 4.20 -0.19 -3.39 115.11 115.32 1smj h GLN 310 Ca 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1smj h GLN 310 Cb 1.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 1smj h GLN 310 CO -0.00 0.00 0.83 1.28 -0.67 0.00 0.00 178.83 180.27 1smj n LEU 311 N -2.31 0.20 -0.21 1.46 4.77 -0.50 -4.48 117.00 115.93 1smj n LEU 311 Ca 0.02 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1smj n LEU 311 Cb 0.48 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1smj n LEU 311 CO 0.38 -0.86 0.33 0.29 -1.33 0.00 0.00 177.39 176.20 1smj n LYS 312 N 4.14 -0.11 0.04 3.23 5.02 -1.26 -1.87 118.16 127.35 1smj n LYS 312 Ca 0.02 0.84 -0.21 0.00 -2.02 0.00 0.00 58.31 56.94 1smj n LYS 312 Cb 0.01 -1.25 -0.14 0.00 -0.02 0.00 0.00 35.03 33.63 1smj n LYS 312 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1smj h TYR 313 N 0.00 0.56 0.00 2.13 3.20 -1.99 -3.20 116.97 117.67 1smj h TYR 313 Ca 0.20 -0.41 -0.05 0.00 3.14 0.00 0.00 58.73 61.62 1smj h TYR 313 Cb 0.34 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1smj h TYR 313 CO -0.47 1.44 -0.22 -0.39 -1.64 0.00 0.00 178.16 176.89 1smj h VAL 314 N -0.28 0.80 0.00 1.81 -1.51 -1.90 1.02 116.25 116.19 1smj h VAL 314 Ca -0.22 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.39 1smj h VAL 314 Cb 1.76 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.43 1smj h VAL 314 CO 0.13 0.21 0.00 0.61 -1.23 0.00 0.00 177.57 177.29 1smj n GLY 315 N -0.50 -1.09 0.13 5.19 0.00 -0.78 -1.87 105.19 106.27 1smj n GLY 315 Ca -0.02 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1smj n GLY 315 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1smj n MET 316 N -1.57 0.68 -0.23 1.61 2.00 0.34 -2.09 117.12 117.86 1smj n MET 316 Ca 0.04 0.29 0.01 0.00 0.00 0.00 0.00 57.70 58.04 1smj n MET 316 Cb 0.20 -1.65 0.09 0.00 0.00 0.00 0.00 33.22 31.86 1smj n MET 316 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1smj h VAL 317 N -0.23 0.34 -0.39 2.03 2.07 -1.04 -0.96 116.25 118.06 1smj h VAL 317 Ca -0.48 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 1smj h VAL 317 Cb 1.84 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1smj h VAL 317 CO -0.06 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 177.24 1smj h LEU 318 N 0.02 0.81 -1.29 2.57 4.07 -1.45 -0.26 115.31 119.78 1smj h LEU 318 Ca 0.34 -0.30 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 1smj h LEU 318 Cb 0.53 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1smj h LEU 318 CO -0.68 1.01 -0.24 0.78 -1.08 0.00 0.00 178.44 178.23 1smj h ASN 319 N 0.69 0.17 -0.02 -0.43 2.35 -0.83 -0.78 115.58 116.72 1smj h ASN 319 Ca 0.09 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1smj h ASN 319 Cb 0.75 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1smj h ASN 319 CO 0.06 0.42 -0.25 -0.33 -1.65 0.00 0.00 177.43 175.68 1smj h GLU 320 N 0.16 0.21 -0.64 0.81 4.39 0.08 0.15 114.58 119.73 1smj h GLU 320 Ca 0.03 -0.19 0.13 0.00 0.34 0.00 0.00 59.36 59.66 1smj h GLU 320 Cb 0.52 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.10 1smj h GLU 320 CO 0.04 0.89 -0.20 0.00 -1.16 0.00 0.00 179.01 178.57 1smj h ALA 321 N 0.33 0.33 0.00 3.43 0.00 -1.06 1.90 119.26 124.19 1smj h ALA 321 Ca -0.02 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1smj h ALA 321 Cb 0.96 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1smj h ALA 321 CO 0.05 -0.48 0.00 -0.11 0.00 0.00 0.00 179.25 178.71 1smj n LEU 322 N -5.45 0.09 0.03 0.00 7.94 -0.30 -0.79 117.00 118.51 1smj n LEU 322 Ca 0.07 0.52 -0.22 0.00 -1.11 0.00 0.00 56.01 55.28 1smj n LEU 322 Cb 0.35 -0.51 -0.14 0.00 0.53 0.00 0.00 43.42 43.64 1smj n LEU 322 CO 0.03 -0.29 -0.35 -0.09 -1.11 0.00 0.00 177.39 175.58 1smj h ARG 323 N 0.00 0.29 0.02 1.96 2.43 0.58 -3.24 114.38 116.42 1smj h ARG 323 Ca 0.00 -0.49 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1smj h ARG 323 Cb 0.26 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1smj h ARG 323 CO 0.00 1.23 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.61 1smj h LEU 324 N -0.25 -0.02 -6.28 3.80 -0.00 -0.78 -3.41 115.31 108.38 1smj h LEU 324 Ca -0.28 -0.41 -0.59 0.00 -0.00 0.00 0.00 57.88 56.60 1smj h LEU 324 Cb 1.80 0.01 -0.40 0.00 -0.00 0.00 0.00 40.66 42.06 1smj h LEU 324 CO 0.10 0.41 -0.85 0.79 -0.00 0.00 0.00 178.44 178.89 1smj n TRP 325 N -4.90 1.30 -1.69 1.13 5.03 0.03 -4.88 117.44 113.46 1smj n TRP 325 Ca -0.08 -3.81 -0.43 0.00 3.03 0.00 0.00 57.50 56.21 1smj n TRP 325 Cb 0.23 -0.35 -0.03 0.00 -1.03 0.00 0.00 31.31 30.13 1smj n TRP 325 CO 0.00 0.00 0.00 -1.25 -0.03 0.00 0.00 177.69 176.41 1smj s PRO 326 N -1.41 3.48 0.30 -0.99 0.04 -1.22 -4.60 135.00 130.60 1smj s PRO 326 Ca 0.35 2.13 0.25 0.00 0.04 0.00 0.00 61.00 63.77 1smj s PRO 326 Cb 0.11 -4.28 0.67 0.00 0.04 0.00 0.00 34.50 31.05 1smj s PRO 326 CO -0.10 -1.70 1.72 1.79 0.04 0.00 0.00 177.00 178.75 1smj h THR 327 N 6.62 0.00 -3.42 1.26 1.35 -1.87 -3.12 112.91 113.72 1smj h THR 327 Ca -0.42 -0.65 -0.71 0.00 -0.55 0.00 0.00 66.41 64.08 1smj h THR 327 Cb 1.23 1.63 -0.32 0.00 -1.73 0.00 0.00 68.15 68.96 1smj h THR 327 CO 0.96 0.00 -0.49 0.00 -0.25 0.00 0.00 175.52 175.74 1smj s ALA 328 N -3.17 3.24 -2.23 6.62 0.00 -1.26 -1.27 121.76 123.70 1smj s ALA 328 Ca 0.09 -2.50 0.29 0.00 0.00 0.00 0.00 51.96 49.84 1smj s ALA 328 Cb 0.10 -2.57 1.27 0.00 0.00 0.00 0.00 23.12 21.92 1smj s ALA 328 CO 0.61 -1.82 1.87 -0.35 0.00 0.00 0.00 175.76 176.07 1smj n PRO 329 N 4.73 1.33 -3.53 0.00 -0.04 -1.18 -4.92 135.00 131.38 1smj n PRO 329 Ca -0.05 -0.60 -0.11 0.00 -0.04 0.00 0.00 63.50 62.70 1smj n PRO 329 Cb 0.41 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 1smj n PRO 329 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1smj s ALA 330 N -2.09 -1.85 0.36 0.55 0.00 -1.26 -1.97 121.76 115.51 1smj s ALA 330 Ca 0.39 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.65 1smj s ALA 330 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 1smj s ALA 330 CO 0.37 -0.49 0.12 1.97 0.00 0.00 0.00 175.76 177.74 1smj n PHE 331 N 0.32 0.14 -3.78 0.00 1.16 -1.17 -4.99 117.46 109.15 1smj n PHE 331 Ca -0.11 -2.28 -0.12 0.00 -1.87 0.00 0.00 57.45 53.06 1smj n PHE 331 Cb 0.60 -0.01 -0.08 0.00 -1.61 0.00 0.00 39.48 38.37 1smj n PHE 331 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1smj s SER 332 N -3.19 -0.14 0.00 5.98 0.15 -1.26 -2.73 113.70 112.52 1smj s SER 332 Ca 0.18 -0.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.73 1smj s SER 332 Cb 0.01 0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1smj s SER 332 CO 0.12 -0.49 0.08 -0.76 1.20 0.00 0.00 173.24 173.40 1smj s LEU 333 N -1.58 1.76 0.14 3.45 2.01 -0.94 -0.91 118.68 122.61 1smj s LEU 333 Ca -0.11 -0.24 0.08 0.00 0.01 0.00 0.00 54.13 53.87 1smj s LEU 333 Cb -0.04 0.46 -0.04 0.00 0.01 0.00 0.00 46.19 46.58 1smj s LEU 333 CO 0.01 -0.31 -0.07 -0.72 1.01 0.00 0.00 176.35 176.27 1smj s TYR 334 N -1.22 2.74 -0.19 0.29 1.13 -0.63 -0.92 117.35 118.56 1smj s TYR 334 Ca -0.13 -0.16 -0.28 0.00 -1.41 0.00 0.00 57.07 55.08 1smj s TYR 334 Cb -0.07 -1.39 -0.05 0.00 -1.10 0.00 0.00 41.96 39.35 1smj s TYR 334 CO 0.01 0.47 2.13 0.00 -2.51 0.00 0.00 175.55 175.65 1smj s ALA 335 N -1.46 2.88 0.26 9.51 0.00 0.15 -2.97 121.76 130.14 1smj s ALA 335 Ca 0.24 0.82 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 1smj s ALA 335 Cb -0.10 -4.03 0.39 0.00 0.00 0.00 0.00 23.12 19.38 1smj s ALA 335 CO 0.15 -2.57 1.88 -0.22 0.00 0.00 0.00 175.76 175.00 1smj h LYS 336 N 14.10 1.14 -2.97 0.00 1.63 -1.33 0.55 116.57 129.69 1smj h LYS 336 Ca -0.42 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.20 1smj h LYS 336 Cb 1.23 -0.26 -0.20 0.00 -0.60 0.00 0.00 32.23 32.40 1smj h LYS 336 CO 0.96 0.75 -0.25 -1.21 -3.45 0.00 0.00 179.45 176.26 1smj s GLU 337 N -6.05 0.69 -0.02 1.90 0.41 -1.26 -4.75 118.70 109.62 1smj s GLU 337 Ca -0.13 -0.15 -0.22 0.00 -0.41 0.00 0.00 54.97 54.06 1smj s GLU 337 Cb 0.20 0.31 -0.11 0.00 -1.78 0.00 0.00 34.13 32.75 1smj s GLU 337 CO 0.81 -0.19 0.59 -0.25 -0.49 0.00 0.00 175.26 175.74 1smj n ASP 338 N 1.28 0.03 -1.70 -0.19 9.92 -1.26 -4.32 116.55 120.32 1smj n ASP 338 Ca -0.21 0.63 -0.04 0.00 -0.53 0.00 0.00 54.79 54.63 1smj n ASP 338 Cb 0.56 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 1smj n ASP 338 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1smj n THR 339 N 0.89 0.00 -4.09 -3.53 5.66 0.28 -4.89 114.28 108.59 1smj n THR 339 Ca 0.11 -0.50 -0.21 0.00 -3.05 0.00 0.00 64.05 60.41 1smj n THR 339 Cb 0.04 0.39 -0.17 0.00 -1.55 0.00 0.00 70.33 69.04 1smj n THR 339 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1smj s VAL 340 N -2.63 0.53 0.09 1.08 1.01 -1.26 -1.15 120.40 118.07 1smj s VAL 340 Ca 0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 1smj s VAL 340 Cb -0.01 -0.57 -0.06 0.00 0.00 0.00 0.00 36.38 35.74 1smj s VAL 340 CO 0.06 0.24 0.40 -0.22 0.00 0.00 0.00 175.10 175.58 1smj s LEU 341 N 1.10 4.33 0.00 3.92 2.96 0.15 -4.12 118.68 127.03 1smj s LEU 341 Ca -0.08 0.77 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 1smj s LEU 341 Cb -0.14 -3.04 0.00 0.00 0.50 0.00 0.00 46.19 43.51 1smj s LEU 341 CO -0.01 0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.78 1smj n GLY 342 N 0.77 0.00 3.37 7.98 0.00 -1.26 -0.66 105.19 115.39 1smj n GLY 342 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1smj n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smj n GLY 343 N -0.28 1.03 0.01 -0.02 0.00 -1.26 -4.72 105.19 99.95 1smj n GLY 343 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1smj n GLY 343 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1smj n GLU 344 N -2.00 2.93 -4.06 1.61 0.00 -0.31 -4.77 120.64 114.05 1smj n GLU 344 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.84 1smj n GLU 344 Cb 0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 31.44 30.25 1smj n GLU 344 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1smj s TYR 345 N -2.04 3.17 -0.43 -1.84 2.02 0.16 -3.25 117.35 115.16 1smj s TYR 345 Ca -0.01 -2.13 -0.28 0.00 -0.37 0.00 0.00 57.07 54.28 1smj s TYR 345 Cb 0.00 -1.95 -0.00 0.00 -0.40 0.00 0.00 41.96 39.61 1smj s TYR 345 CO 0.06 -0.85 1.62 -1.25 -1.57 0.00 0.00 175.55 173.55 1smj s PRO 346 N 1.16 3.32 -0.23 -1.71 0.04 -1.26 0.31 135.00 136.62 1smj s PRO 346 Ca -0.06 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 61.89 1smj s PRO 346 Cb -0.19 -4.15 -0.05 0.00 0.04 0.00 0.00 34.50 30.15 1smj s PRO 346 CO -0.06 -1.89 0.16 -0.51 0.04 0.00 0.00 177.00 174.74 1smj s LEU 347 N 6.57 4.13 0.39 -3.56 1.43 -0.30 -4.99 118.68 122.36 1smj s LEU 347 Ca 0.68 0.14 -0.26 0.00 -1.03 0.00 0.00 54.13 53.66 1smj s LEU 347 Cb -0.16 -2.11 -0.09 0.00 0.03 0.00 0.00 46.19 43.85 1smj s LEU 347 CO 0.30 0.08 1.28 -1.61 0.23 0.00 0.00 176.35 176.63 1smj s GLU 348 N 0.93 4.05 0.48 1.70 2.02 -1.26 -0.56 118.70 126.06 1smj s GLU 348 Ca 0.08 2.11 -0.20 0.00 0.02 0.00 0.00 54.97 56.98 1smj s GLU 348 Cb -0.13 -2.80 -0.12 0.00 0.10 0.00 0.00 34.13 31.19 1smj s GLU 348 CO 0.03 -0.41 0.44 1.17 0.02 0.00 0.00 175.26 176.51 1smj n LYS 349 N 0.23 0.47 0.00 1.61 4.81 -1.26 -1.93 118.16 122.09 1smj n LYS 349 Ca 0.03 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1smj n LYS 349 Cb 0.44 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.99 1smj n LYS 349 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1smj n GLY 350 N 1.89 3.02 3.67 3.14 0.00 0.19 -4.86 105.19 112.24 1smj n GLY 350 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 1smj n GLY 350 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1smj n ASP 351 N 0.14 3.16 -4.50 1.61 8.00 -0.81 -4.66 116.55 119.48 1smj n ASP 351 Ca 0.00 1.08 -0.43 0.00 0.71 0.00 0.00 54.79 56.15 1smj n ASP 351 Cb 0.00 -1.43 -0.07 0.00 -0.02 0.00 0.00 41.12 39.60 1smj n ASP 351 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1smj s GLU 352 N 1.10 3.21 0.41 -1.24 2.02 -1.26 0.34 118.70 123.27 1smj s GLU 352 Ca 0.79 -0.53 0.01 0.00 0.02 0.00 0.00 54.97 55.27 1smj s GLU 352 Cb -0.67 -3.96 -0.01 0.00 0.10 0.00 0.00 34.13 29.58 1smj s GLU 352 CO 0.38 -0.97 0.61 -0.51 0.02 0.00 0.00 175.26 174.80 1smj s LEU 353 N 2.58 3.78 -0.30 1.80 1.02 -0.09 -1.68 118.68 125.79 1smj s LEU 353 Ca 0.19 0.24 -0.09 0.00 0.02 0.00 0.00 54.13 54.49 1smj s LEU 353 Cb -0.15 -3.13 0.16 0.00 0.02 0.00 0.00 46.19 43.09 1smj s LEU 353 CO 0.17 -0.57 0.74 -0.32 0.02 0.00 0.00 176.35 176.39 1smj s MET 354 N -4.44 0.49 -0.46 1.70 -2.45 -0.83 -2.23 119.30 111.08 1smj s MET 354 Ca 0.46 1.11 -0.21 0.00 -1.25 0.00 0.00 55.69 55.80 1smj s MET 354 Cb -0.10 0.65 0.03 0.00 1.25 0.00 0.00 34.83 36.67 1smj s MET 354 CO 0.36 -0.28 0.66 0.08 1.05 0.00 0.00 175.02 176.89 1smj s VAL 355 N 2.80 4.81 -0.95 10.11 1.01 -1.10 -1.06 120.40 136.02 1smj s VAL 355 Ca 0.02 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 1smj s VAL 355 Cb -0.11 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1smj s VAL 355 CO -0.19 -0.67 1.73 -0.76 0.00 0.00 0.00 175.10 175.21 1smj s LEU 356 N 2.85 3.31 0.35 3.92 1.43 -1.03 -3.06 118.68 126.45 1smj s LEU 356 Ca 0.21 -0.98 0.07 0.00 -1.03 0.00 0.00 54.13 52.40 1smj s LEU 356 Cb -0.15 -2.56 0.66 0.00 0.03 0.00 0.00 46.19 44.16 1smj s LEU 356 CO 0.17 -2.21 1.86 0.40 0.23 0.00 0.00 176.35 176.80 1smj h ILE 357 N 7.05 1.21 0.00 -0.59 2.04 -1.72 0.02 117.51 125.52 1smj h ILE 357 Ca 0.13 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1smj h ILE 357 Cb 1.01 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1smj h ILE 357 CO 1.30 0.29 0.00 1.55 0.00 0.00 0.00 178.15 181.30 1smj h PRO 358 N 0.31 0.00 0.01 2.37 0.13 -1.90 -0.95 132.00 131.97 1smj h PRO 358 Ca 0.06 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.88 1smj h PRO 358 Cb 0.45 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.53 1smj h PRO 358 CO 0.03 0.00 -1.82 1.04 -0.23 0.00 0.00 178.00 177.02 1smj n GLN 359 N -2.96 0.65 0.23 0.86 1.13 -0.48 -3.46 117.38 113.35 1smj n GLN 359 Ca 0.01 0.26 0.09 0.00 -1.94 0.00 0.00 57.00 55.42 1smj n GLN 359 Cb 0.33 -1.75 0.65 0.00 0.11 0.00 0.00 30.24 29.57 1smj n GLN 359 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1smj h LEU 360 N 0.00 0.00 -0.39 1.08 5.85 -0.16 -1.30 115.31 120.39 1smj h LEU 360 Ca -0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1smj h LEU 360 Cb 2.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.07 1smj h LEU 360 CO 0.07 0.00 0.00 1.41 -0.34 0.00 0.00 178.44 179.58 1smj n HIS 361 N -4.52 0.10 -0.46 1.25 8.25 -0.45 -2.98 115.22 116.42 1smj n HIS 361 Ca -0.02 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1smj n HIS 361 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1smj n HIS 361 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1smj n ARG 362 N -0.33 0.67 -1.51 -0.41 1.74 -0.52 -4.92 116.66 111.39 1smj n ARG 362 Ca 0.11 -0.70 -0.43 0.00 -0.77 0.00 0.00 57.85 56.05 1smj n ARG 362 Cb 0.13 -0.77 -0.07 0.00 -1.02 0.00 0.00 32.46 30.74 1smj n ARG 362 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1smj n ASP 363 N -0.15 2.01 -0.19 0.55 -0.08 -1.03 -4.84 116.55 112.81 1smj n ASP 363 Ca 0.00 0.04 -0.10 0.00 -1.51 0.00 0.00 54.79 53.22 1smj n ASP 363 Cb 0.26 -1.35 0.02 0.00 2.34 0.00 0.00 41.12 42.38 1smj n ASP 363 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1smj h LYS 364 N 15.08 1.03 -1.26 -0.67 -0.00 -1.93 -1.73 116.57 127.09 1smj h LYS 364 Ca -0.24 -0.35 0.00 0.00 -0.00 0.00 0.00 60.65 60.06 1smj h LYS 364 Cb 1.29 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 1smj h LYS 364 CO 1.12 1.04 0.00 0.25 -0.00 0.00 0.00 179.45 181.86 1smj n THR 365 N -4.19 0.00 0.00 0.07 -2.24 -1.26 -0.93 114.28 105.73 1smj n THR 365 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1smj n THR 365 Cb 0.37 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1smj n THR 365 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1smj n ILE 366 N 0.73 0.00 0.45 2.28 2.08 -1.10 -4.94 119.36 118.87 1smj n ILE 366 Ca 0.00 0.00 0.10 0.00 0.56 0.00 0.00 62.75 63.41 1smj n ILE 366 Cb 0.00 -0.06 -0.14 0.00 -0.75 0.00 0.00 39.64 38.69 1smj n ILE 366 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1smj n TRP 367 N -2.33 0.00 0.00 1.39 7.02 -0.67 -5.02 117.44 117.83 1smj n TRP 367 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1smj n TRP 367 Cb 0.00 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 28.63 1smj n TRP 367 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1smj n GLY 368 N 1.38 2.01 0.00 6.99 0.00 -0.11 -4.77 105.19 110.70 1smj n GLY 368 Ca -0.00 -2.15 0.14 0.00 0.00 0.00 0.00 46.02 44.01 1smj n GLY 368 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1smj n ASP 369 N 0.00 0.00 -1.46 1.61 8.00 -1.26 -3.89 116.55 119.54 1smj n ASP 369 Ca 0.00 -0.46 -0.04 0.00 0.71 0.00 0.00 54.79 55.00 1smj n ASP 369 Cb 0.00 -0.17 0.10 0.00 -0.02 0.00 0.00 41.12 41.03 1smj n ASP 369 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1smj n ASP 370 N -1.17 2.49 -0.32 -2.24 5.75 -1.26 -4.89 116.55 114.92 1smj n ASP 370 Ca 0.17 -3.27 0.18 0.00 -0.01 0.00 0.00 54.79 51.86 1smj n ASP 370 Cb 0.18 -0.43 0.37 0.00 -1.03 0.00 0.00 41.12 40.21 1smj n ASP 370 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1smj h VAL 371 N 3.03 0.24 0.00 2.12 -1.51 -1.88 -0.31 116.25 117.93 1smj h VAL 371 Ca 0.05 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1smj h VAL 371 Cb 1.35 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1smj h VAL 371 CO 0.26 0.03 0.00 1.21 -1.23 0.00 0.00 177.57 177.84 1smj n GLU 372 N -5.22 0.24 -3.41 5.19 4.07 -1.26 -4.72 120.64 115.53 1smj n GLU 372 Ca 0.26 0.09 -0.35 0.00 -0.06 0.00 0.00 57.16 57.10 1smj n GLU 372 Cb 0.83 -1.50 -0.06 0.00 -0.06 0.00 0.00 31.44 30.66 1smj n GLU 372 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1smj s GLU 373 N -2.27 3.92 -0.92 5.31 0.41 -0.13 -4.99 118.70 120.03 1smj s GLU 373 Ca 0.13 0.41 -0.14 0.00 -0.41 0.00 0.00 54.97 54.96 1smj s GLU 373 Cb 0.07 -2.91 0.22 0.00 -1.78 0.00 0.00 34.13 29.72 1smj s GLU 373 CO 0.14 0.48 0.92 0.12 -0.49 0.00 0.00 175.26 176.42 1smj s PHE 374 N -1.49 3.77 -0.58 1.61 5.36 -1.26 -4.94 117.98 120.45 1smj s PHE 374 Ca 0.38 -2.06 -0.03 0.00 -0.96 0.00 0.00 56.93 54.27 1smj s PHE 374 Cb -0.14 -3.91 0.15 0.00 -0.34 0.00 0.00 43.02 38.78 1smj s PHE 374 CO 0.19 -1.07 0.39 0.50 -1.46 0.00 0.00 175.22 173.77 1smj s ARG 375 N 0.29 2.43 0.04 10.12 3.52 -1.26 -5.01 118.95 129.08 1smj s ARG 375 Ca 0.24 -2.39 -0.18 0.00 -0.13 0.00 0.00 55.73 53.27 1smj s ARG 375 Cb -0.09 -3.69 -0.08 0.00 -1.56 0.00 0.00 34.95 29.53 1smj s ARG 375 CO -0.08 -1.15 1.27 -1.35 -0.81 0.00 0.00 175.30 173.18 1smj h PRO 376 N 7.22 -0.47 0.00 5.12 0.11 -1.92 -0.00 132.00 142.06 1smj h PRO 376 Ca -0.04 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1smj h PRO 376 Cb 0.97 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1smj h PRO 376 CO 0.71 -0.31 0.00 0.39 -0.21 0.00 0.00 178.00 178.58 1smj n GLU 377 N -3.87 0.00 0.00 1.05 4.71 -1.26 -1.21 120.64 120.06 1smj n GLU 377 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 1smj n GLU 377 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.66 1smj n GLU 377 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1smj n ARG 378 N -2.92 0.00 -2.42 3.49 1.85 -0.02 -0.08 116.66 116.57 1smj n ARG 378 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.65 1smj n ARG 378 Cb 0.00 -1.45 0.02 0.00 -1.05 0.00 0.00 32.46 29.98 1smj n ARG 378 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1smj n PHE 379 N -0.65 2.59 -0.12 2.89 0.99 -0.35 -4.65 117.46 118.15 1smj n PHE 379 Ca 0.00 -2.69 -0.26 0.00 -0.00 0.00 0.00 57.45 54.50 1smj n PHE 379 Cb 0.00 -0.22 -0.11 0.00 -1.00 0.00 0.00 39.48 38.15 1smj n PHE 379 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1smj n GLU 380 N -0.49 0.60 -3.91 -1.08 4.07 0.89 -4.74 120.64 115.98 1smj n GLU 380 Ca 0.32 0.31 -0.30 0.00 -0.06 0.00 0.00 57.16 57.43 1smj n GLU 380 Cb 0.79 -1.57 -0.14 0.00 -0.06 0.00 0.00 31.44 30.47 1smj n GLU 380 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1smj s ASN 381 N -7.19 4.22 0.36 4.31 2.47 -1.26 -4.97 114.94 112.88 1smj s ASN 381 Ca -0.35 -2.92 0.17 0.00 0.42 0.00 0.00 52.86 50.18 1smj s ASN 381 Cb 0.12 -1.54 1.23 0.00 -1.45 0.00 0.00 41.25 39.61 1smj s ASN 381 CO 0.55 -0.24 1.57 -2.65 -3.72 0.00 0.00 177.10 172.60 1smj n PRO 382 N 3.22 -0.06 -0.33 0.43 -0.02 -1.26 0.23 135.00 137.21 1smj n PRO 382 Ca 0.05 1.40 0.06 0.00 -2.02 0.00 0.00 63.50 62.99 1smj n PRO 382 Cb 0.33 -2.45 0.13 0.00 -0.02 0.00 0.00 33.50 31.49 1smj n PRO 382 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1smj n SER 383 N -5.30 -0.33 0.14 2.55 2.88 -1.26 -1.51 113.62 110.79 1smj n SER 383 Ca 0.35 1.58 0.12 0.00 -1.33 0.00 0.00 58.87 59.59 1smj n SER 383 Cb 1.18 -0.48 0.53 0.00 -0.75 0.00 0.00 64.21 64.70 1smj n SER 383 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1smj n ALA 384 N -3.66 1.40 -2.64 -1.46 0.00 0.62 -4.65 120.51 110.13 1smj n ALA 384 Ca 0.15 0.14 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 1smj n ALA 384 Cb 0.46 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 1smj n ALA 384 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1smj s ILE 385 N -3.42 4.63 0.64 0.00 1.09 -0.57 -5.01 121.20 118.57 1smj s ILE 385 Ca 0.01 1.65 -0.18 0.00 -1.10 0.00 0.00 60.65 61.04 1smj s ILE 385 Cb 0.08 -4.31 -0.01 0.00 -1.06 0.00 0.00 42.46 37.16 1smj s ILE 385 CO 0.31 -0.34 1.23 -2.84 -0.10 0.00 0.00 174.94 173.20 1smj s PRO 386 N 3.34 2.68 0.42 2.79 0.02 -1.26 -4.90 135.00 138.08 1smj s PRO 386 Ca 0.41 1.87 -0.25 0.00 0.02 0.00 0.00 61.00 63.05 1smj s PRO 386 Cb -0.13 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.42 1smj s PRO 386 CO 0.12 -1.45 1.17 -1.14 -0.33 0.00 0.00 177.00 175.38 1smj s GLN 387 N -3.49 3.97 0.00 5.54 -0.44 -1.26 -3.04 119.66 120.94 1smj s GLN 387 Ca 0.78 1.83 0.00 0.00 -2.50 0.00 0.00 55.36 55.47 1smj s GLN 387 Cb -0.32 -2.60 0.00 0.00 -1.64 0.00 0.00 33.01 28.45 1smj s GLN 387 CO 0.38 -0.39 0.00 0.72 0.50 0.00 0.00 175.29 176.50 1smj n HIS 388 N -0.08 0.00 0.00 1.67 8.25 -1.26 -4.91 115.22 118.89 1smj n HIS 388 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1smj n HIS 388 Cb 0.47 -0.91 0.00 0.00 1.12 0.00 0.00 29.99 30.67 1smj n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1smj n ALA 389 N -1.81 1.40 -3.73 -1.41 0.00 -1.17 -4.52 120.51 109.27 1smj n ALA 389 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1smj n ALA 389 Cb 0.45 0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 1smj n ALA 389 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1smj s PHE 390 N -1.40 2.54 -0.73 0.00 5.36 -1.26 -4.58 117.98 117.90 1smj s PHE 390 Ca 0.00 -2.86 0.01 0.00 -0.96 0.00 0.00 56.93 53.12 1smj s PHE 390 Cb 0.00 -2.05 0.36 0.00 -0.34 0.00 0.00 43.02 40.99 1smj s PHE 390 CO 0.00 -0.68 1.56 1.63 -1.46 0.00 0.00 175.22 176.27 1smj n LYS 391 N 2.61 3.55 0.00 10.12 5.02 -1.26 -4.83 118.16 133.38 1smj n LYS 391 Ca 0.19 -4.23 0.06 0.00 -2.02 0.00 0.00 58.31 52.30 1smj n LYS 391 Cb 0.38 -2.30 0.33 0.00 -0.02 0.00 0.00 35.03 33.42 1smj n LYS 391 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1smj n PRO 392 N -0.38 0.37 -1.52 1.97 -0.04 -1.26 -2.86 135.00 131.27 1smj n PRO 392 Ca 0.45 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.94 1smj n PRO 392 Cb 0.38 -1.46 0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1smj n PRO 392 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1smj n PHE 393 N -0.96 0.24 -4.64 0.54 3.72 -1.26 -4.83 117.46 110.27 1smj n PHE 393 Ca 0.08 -0.93 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 1smj n PHE 393 Cb 0.04 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 1smj n PHE 393 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1smj n GLY 394 N 0.05 -1.17 3.55 1.37 0.00 -1.14 -1.77 105.19 106.09 1smj n GLY 394 Ca 0.10 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 1smj n GLY 394 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1smj s ASN 395 N -4.00 3.21 0.00 1.61 2.47 -1.25 -4.80 114.94 112.19 1smj s ASN 395 Ca 0.00 -1.41 0.00 0.00 0.42 0.00 0.00 52.86 51.87 1smj s ASN 395 Cb 0.00 -0.16 0.00 0.00 -1.45 0.00 0.00 41.25 39.64 1smj s ASN 395 CO 0.00 -0.57 0.00 0.61 -3.72 0.00 0.00 177.10 173.42 1smj n GLY 396 N -0.87 0.19 0.35 1.21 0.00 -1.26 -2.95 105.19 101.86 1smj n GLY 396 Ca -0.05 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1smj n GLY 396 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1smj h GLN 397 N 0.00 0.23 -2.96 1.61 3.07 -2.00 -3.22 115.11 111.84 1smj h GLN 397 Ca 0.00 -0.01 -0.74 0.00 0.09 0.00 0.00 58.65 57.99 1smj h GLN 397 Cb 0.00 -0.05 -0.11 0.00 0.08 0.00 0.00 27.48 27.40 1smj h GLN 397 CO 0.00 0.15 2.52 0.54 0.09 0.00 0.00 178.83 182.13 1smj n ARG 398 N -4.45 4.15 -4.23 0.06 5.12 -1.15 -4.93 116.66 111.23 1smj n ARG 398 Ca 0.09 -3.29 -0.18 0.00 -1.93 0.00 0.00 57.85 52.54 1smj n ARG 398 Cb 0.42 -2.76 -0.11 0.00 -1.16 0.00 0.00 32.46 28.85 1smj n ARG 398 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1smj s ALA 399 N -0.16 1.43 -0.41 7.54 0.00 -1.16 -3.74 121.76 125.27 1smj s ALA 399 Ca 0.52 -1.26 -0.27 0.00 0.00 0.00 0.00 51.96 50.95 1smj s ALA 399 Cb 0.16 -0.07 -0.07 0.00 0.00 0.00 0.00 23.12 23.14 1smj s ALA 399 CO -0.06 0.10 2.36 0.00 0.00 0.00 0.00 175.76 178.16 1smj h ILE 401 N 7.54 0.11 0.00 0.00 1.08 -1.92 -3.13 117.51 121.18 1smj h ILE 401 Ca -0.29 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1smj h ILE 401 Cb 1.26 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1smj h ILE 401 CO 1.10 0.02 -0.62 0.61 -0.69 0.00 0.00 178.15 178.56 1smj n GLY 402 N -1.39 -1.29 0.00 5.37 0.00 -1.26 -4.68 105.19 101.93 1smj n GLY 402 Ca 0.37 -0.33 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 1smj n GLY 402 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1smj n GLN 403 N -1.76 -0.00 0.16 1.61 7.27 -1.19 0.26 117.38 123.72 1smj n GLN 403 Ca 0.04 0.01 0.02 0.00 0.07 0.00 0.00 57.00 57.14 1smj n GLN 403 Cb 0.38 -0.02 0.23 0.00 2.41 0.00 0.00 30.24 33.24 1smj n GLN 403 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1smj h GLN 404 N 0.00 0.00 -0.55 3.69 5.75 -1.87 0.21 115.11 122.34 1smj h GLN 404 Ca 0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1smj h GLN 404 Cb 0.00 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.50 1smj h GLN 404 CO -0.00 0.52 0.27 0.35 -2.65 0.00 0.00 178.83 177.32 1smj h PHE 405 N 0.00 0.49 0.59 3.99 3.04 -0.51 -1.71 116.94 122.84 1smj h PHE 405 Ca -0.01 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 1smj h PHE 405 Cb 1.03 -0.14 0.01 0.00 2.56 0.00 0.00 35.95 39.41 1smj h PHE 405 CO 0.00 0.22 -0.29 0.00 -2.02 0.00 0.00 178.31 176.23 1smj h ALA 406 N 1.31 -0.90 -0.94 2.41 0.00 0.74 -0.65 119.26 121.23 1smj h ALA 406 Ca 0.25 -0.17 0.29 0.00 0.00 0.00 0.00 54.91 55.27 1smj h ALA 406 Cb 0.18 0.31 -0.15 0.00 0.00 0.00 0.00 17.79 18.13 1smj h ALA 406 CO -0.19 -0.85 0.33 -0.07 0.00 0.00 0.00 179.25 178.47 1smj h LEU 407 N -1.06 0.10 -1.14 0.00 4.07 -1.49 0.88 115.31 116.67 1smj h LEU 407 Ca -0.08 0.22 -0.09 0.00 0.08 0.00 0.00 57.88 58.00 1smj h LEU 407 Cb 0.61 0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 1smj h LEU 407 CO 0.13 -0.22 -0.43 -0.74 -1.08 0.00 0.00 178.44 176.11 1smj h HIS 408 N 0.18 0.00 0.00 1.13 2.76 -0.54 -1.52 115.15 117.16 1smj h HIS 408 Ca 0.64 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.78 1smj h HIS 408 Cb 1.42 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.37 1smj h HIS 408 CO -0.20 0.43 -0.47 1.49 -1.30 0.00 0.00 177.93 177.87 1smj h GLU 409 N 0.00 0.00 0.00 5.26 4.81 0.63 -2.22 114.58 123.06 1smj h GLU 409 Ca -0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1smj h GLU 409 Cb 0.76 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1smj h GLU 409 CO 0.06 0.11 -0.31 0.00 -0.73 0.00 0.00 179.01 178.14 1smj h ALA 410 N 1.86 0.05 -0.46 2.92 0.00 -0.92 -1.48 119.26 121.22 1smj h ALA 410 Ca -0.01 -0.52 0.09 0.00 0.00 0.00 0.00 54.91 54.47 1smj h ALA 410 Cb 1.12 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1smj h ALA 410 CO 0.02 0.20 -0.21 1.15 0.00 0.00 0.00 179.25 180.40 1smj h THR 411 N -1.00 0.37 0.00 0.00 2.02 -1.43 1.11 112.91 113.98 1smj h THR 411 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1smj h THR 411 Cb 0.76 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1smj h THR 411 CO -0.04 0.00 0.00 -0.11 0.37 0.00 0.00 175.52 175.74 1smj n LEU 412 N -5.40 0.00 -0.10 2.58 7.94 -0.84 -1.77 117.00 119.42 1smj n LEU 412 Ca 0.03 0.76 -0.11 0.00 -1.11 0.00 0.00 56.01 55.58 1smj n LEU 412 Cb 0.31 -0.26 -0.04 0.00 0.53 0.00 0.00 43.42 43.96 1smj n LEU 412 CO 0.09 -0.26 0.75 1.62 -1.11 0.00 0.00 177.39 178.48 1smj h VAL 413 N 0.00 1.26 -0.98 1.96 3.04 -0.87 0.87 116.25 121.54 1smj h VAL 413 Ca 0.00 -0.97 0.18 0.00 -1.01 0.00 0.00 66.70 64.90 1smj h VAL 413 Cb 0.00 1.34 -0.18 0.00 -2.01 0.00 0.00 31.29 30.44 1smj h VAL 413 CO 0.00 0.31 -0.28 0.25 -1.01 0.00 0.00 177.57 176.84 1smj h LEU 414 N 0.29 -1.05 0.65 3.16 6.46 0.12 0.29 115.31 125.24 1smj h LEU 414 Ca 0.08 0.30 -0.03 0.00 -0.12 0.00 0.00 57.88 58.10 1smj h LEU 414 Cb 0.46 0.64 0.01 0.00 -0.73 0.00 0.00 40.66 41.04 1smj h LEU 414 CO 0.02 -0.31 -0.31 1.23 -0.62 0.00 0.00 178.44 178.44 1smj h GLY 415 N -0.00 -0.92 0.07 3.75 0.00 -0.01 0.76 103.07 106.72 1smj h GLY 415 Ca 0.43 0.34 0.19 0.00 0.00 0.00 0.00 47.33 48.30 1smj h GLY 415 CO -1.00 -0.33 0.54 -0.33 0.00 0.00 0.00 176.54 175.42 1smj h MET 416 N -1.04 0.64 0.64 4.80 2.86 -0.63 -2.31 114.93 119.90 1smj h MET 416 Ca -0.09 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1smj h MET 416 Cb 0.71 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1smj h MET 416 CO 0.15 0.42 -0.32 0.52 1.06 0.00 0.00 176.91 178.74 1smj h MET 417 N 0.66 -0.85 -0.66 1.72 2.07 0.96 -1.42 114.93 117.42 1smj h MET 417 Ca 0.56 0.06 0.19 0.00 -2.07 0.00 0.00 59.70 58.44 1smj h MET 417 Cb 0.90 0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 30.80 1smj h MET 417 CO -0.41 -0.57 1.01 -0.07 1.07 0.00 0.00 176.91 177.94 1smj h LEU 418 N -0.88 0.00 0.00 1.22 3.38 -0.35 -1.56 115.31 117.12 1smj h LEU 418 Ca -0.09 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.61 1smj h LEU 418 Cb 0.69 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 1smj h LEU 418 CO 0.13 0.00 -2.21 1.17 0.09 0.00 0.00 178.44 177.62 1smj n LYS 419 N -3.12 0.89 -0.18 1.13 4.81 -0.96 -4.52 118.16 116.20 1smj n LYS 419 Ca 0.14 -0.04 0.09 0.00 -0.87 0.00 0.00 58.31 57.63 1smj n LYS 419 Cb 1.21 -1.48 0.18 0.00 0.02 0.00 0.00 35.03 34.97 1smj n LYS 419 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1smj n HIS 420 N -2.59 0.48 -3.74 5.64 8.25 -0.57 -4.90 115.22 117.78 1smj n HIS 420 Ca -0.25 -0.32 -0.12 0.00 -0.26 0.00 0.00 57.72 56.77 1smj n HIS 420 Cb 0.99 -0.01 -0.13 0.00 1.12 0.00 0.00 29.99 31.96 1smj n HIS 420 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1smj s PHE 421 N -1.19 -0.32 -0.18 4.41 0.08 -0.98 -1.99 117.98 117.81 1smj s PHE 421 Ca 0.32 0.76 -0.16 0.00 0.12 0.00 0.00 56.93 57.97 1smj s PHE 421 Cb 0.18 0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.64 1smj s PHE 421 CO 0.25 -0.22 0.39 -0.51 -0.10 0.00 0.00 175.22 175.02 1smj s ASP 422 N 1.12 6.47 -0.34 1.36 1.01 2.24 -4.75 116.67 123.79 1smj s ASP 422 Ca -0.08 0.56 -0.03 0.00 0.71 0.00 0.00 52.55 53.71 1smj s ASP 422 Cb -0.09 -2.23 0.06 0.00 1.01 0.00 0.00 42.92 41.67 1smj s ASP 422 CO -0.07 -0.03 0.07 -0.36 0.21 0.00 0.00 175.17 174.99 1smj s PHE 423 N 1.04 3.35 -0.44 4.23 0.08 -1.26 0.89 117.98 125.87 1smj s PHE 423 Ca 0.20 -1.94 -0.16 0.00 0.12 0.00 0.00 56.93 55.15 1smj s PHE 423 Cb -0.14 -2.44 0.04 0.00 -0.57 0.00 0.00 43.02 39.91 1smj s PHE 423 CO 0.07 -0.84 0.36 -2.00 -0.10 0.00 0.00 175.22 172.72 1smj s GLU 424 N 1.25 2.99 0.00 0.44 2.12 0.36 -4.92 118.70 120.93 1smj s GLU 424 Ca -0.01 -1.13 -0.22 0.00 0.36 0.00 0.00 54.97 53.96 1smj s GLU 424 Cb -0.20 -4.05 -0.27 0.00 0.26 0.00 0.00 34.13 29.86 1smj s GLU 424 CO -0.01 -0.89 1.32 -3.47 -0.54 0.00 0.00 175.26 171.67 1smj n ASP 425 N 5.25 0.55 0.00 -1.70 -0.08 -1.26 -0.73 116.55 118.59 1smj n ASP 425 Ca -0.11 -2.08 0.04 0.00 -1.51 0.00 0.00 54.79 51.13 1smj n ASP 425 Cb 0.46 -0.41 0.20 0.00 2.34 0.00 0.00 41.12 43.71 1smj n ASP 425 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1smj n HIS 426 N 7.59 0.00 -1.65 -0.67 1.44 -1.26 -2.10 115.22 118.57 1smj n HIS 426 Ca 0.34 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 56.06 1smj n HIS 426 Cb 0.35 -0.28 0.01 0.00 0.12 0.00 0.00 29.99 30.18 1smj n HIS 426 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1smj n THR 427 N -1.28 0.17 -3.60 0.61 -2.24 -1.26 -4.99 114.28 101.69 1smj n THR 427 Ca 0.04 -0.19 -0.27 0.00 -2.27 0.00 0.00 64.05 61.36 1smj n THR 427 Cb 0.06 0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 1smj n THR 427 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1smj n ASN 428 N -0.12 -3.72 -3.81 3.42 5.15 -0.89 -4.68 115.26 110.60 1smj n ASN 428 Ca 0.01 -0.55 -0.54 0.00 -0.60 0.00 0.00 54.58 52.89 1smj n ASN 428 Cb 0.64 -3.06 -0.09 0.00 -0.53 0.00 0.00 39.78 36.74 1smj n ASN 428 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1smj n TYR 429 N -4.09 1.34 -3.13 1.20 9.36 -1.26 -4.92 117.16 115.65 1smj n TYR 429 Ca 0.01 0.87 -0.39 0.00 3.32 0.00 0.00 57.90 61.72 1smj n TYR 429 Cb 0.53 -1.85 -0.05 0.00 -0.63 0.00 0.00 39.34 37.34 1smj n TYR 429 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1smj s GLU 430 N 3.03 4.38 -0.01 2.98 2.56 -1.26 -5.01 118.70 125.37 1smj s GLU 430 Ca 0.89 0.83 -0.30 0.00 0.00 0.00 0.00 54.97 56.39 1smj s GLU 430 Cb -1.23 -3.37 -0.06 0.00 2.00 0.00 0.00 34.13 31.46 1smj s GLU 430 CO 0.64 0.29 1.65 -1.17 -0.56 0.00 0.00 175.26 176.11 1smj s LEU 431 N 0.03 4.34 -0.34 2.70 2.96 -1.26 -4.98 118.68 122.13 1smj s LEU 431 Ca 0.34 2.32 0.03 0.00 -0.22 0.00 0.00 54.13 56.60 1smj s LEU 431 Cb -0.19 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.06 1smj s LEU 431 CO 0.18 -0.90 0.05 -0.62 -1.32 0.00 0.00 176.35 173.74 1smj s ASP 432 N 3.01 4.78 -0.39 3.68 -1.08 -1.26 -5.04 116.67 120.37 1smj s ASP 432 Ca 0.74 -2.10 -0.25 0.00 -0.52 0.00 0.00 52.55 50.41 1smj s ASP 432 Cb -0.35 -1.64 0.02 0.00 -1.46 0.00 0.00 42.92 39.48 1smj s ASP 432 CO 0.31 -0.38 0.90 -0.63 0.52 0.00 0.00 175.17 175.89 1smj s ILE 433 N 0.93 4.58 0.11 4.11 1.01 -1.26 0.26 121.20 130.93 1smj s ILE 433 Ca 0.09 1.01 -0.30 0.00 0.00 0.00 0.00 60.65 61.45 1smj s ILE 433 Cb -0.19 -4.34 -0.06 0.00 0.01 0.00 0.00 42.46 37.88 1smj s ILE 433 CO -0.08 -0.61 1.05 -0.75 0.00 0.00 0.00 174.94 174.56 1smj s LYS 434 N 3.49 4.60 -0.21 2.79 2.20 0.62 -4.89 119.74 128.34 1smj s LYS 434 Ca 0.37 1.59 -0.09 0.00 -0.36 0.00 0.00 55.97 57.47 1smj s LYS 434 Cb -0.12 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1smj s LYS 434 CO 0.21 0.06 0.12 -1.21 -0.36 0.00 0.00 175.35 174.16 1smj s GLU 435 N 0.18 4.07 -0.41 4.03 2.02 -1.26 -1.81 118.70 125.53 1smj s GLU 435 Ca 0.50 -0.28 0.06 0.00 0.02 0.00 0.00 54.97 55.28 1smj s GLU 435 Cb -0.26 -3.41 0.22 0.00 0.10 0.00 0.00 34.13 30.77 1smj s GLU 435 CO 0.31 0.18 0.50 0.25 0.02 0.00 0.00 175.26 176.52 1smj n THR 436 N 3.88 -0.80 0.00 3.63 -2.24 -1.26 -4.94 114.28 112.55 1smj n THR 436 Ca -0.16 -3.45 0.00 0.00 -2.27 0.00 0.00 64.05 58.17 1smj n THR 436 Cb 0.52 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 1smj n THR 436 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1smj n LEU 437 N 2.02 0.00 0.00 3.22 4.77 -1.26 -4.76 117.00 120.99 1smj n LEU 437 Ca 0.23 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.04 1smj n LEU 437 Cb 0.52 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.74 1smj n LEU 437 CO 0.12 0.00 0.41 0.35 -1.33 0.00 0.00 177.39 176.95 1smj n THR 438 N 0.00 0.00 -4.18 -5.08 -2.24 -1.26 -4.65 114.28 96.87 1smj n THR 438 Ca 0.00 -0.40 -0.18 0.00 -2.27 0.00 0.00 64.05 61.20 1smj n THR 438 Cb 0.00 -1.40 -0.12 0.00 -2.10 0.00 0.00 70.33 66.71 1smj n THR 438 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1smj s LEU 439 N 0.00 2.30 -0.27 3.22 1.43 -0.40 -4.47 118.68 120.49 1smj s LEU 439 Ca 0.41 -0.65 -0.25 0.00 -1.03 0.00 0.00 54.13 52.61 1smj s LEU 439 Cb -0.03 -0.51 0.08 0.00 0.03 0.00 0.00 46.19 45.76 1smj s LEU 439 CO 0.30 -0.09 0.75 -0.75 0.23 0.00 0.00 176.35 176.79 1smj s LYS 440 N -1.88 0.81 0.43 1.70 2.20 -0.75 -4.70 119.74 117.54 1smj s LYS 440 Ca -0.00 0.94 -0.26 0.00 -0.36 0.00 0.00 55.97 56.29 1smj s LYS 440 Cb -0.09 0.39 -0.09 0.00 -1.51 0.00 0.00 37.83 36.53 1smj s LYS 440 CO 0.02 -0.10 1.33 -2.30 -0.36 0.00 0.00 175.35 173.95 1smj n PRO 441 N 2.60 2.07 -4.97 4.03 -0.02 -1.26 -0.27 135.00 137.17 1smj n PRO 441 Ca -0.14 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 1smj n PRO 441 Cb 0.55 -2.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.42 1smj n PRO 441 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1smj s GLU 442 N -2.27 2.32 -1.47 -0.52 2.12 0.73 -4.60 118.70 115.02 1smj s GLU 442 Ca 0.60 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 55.13 1smj s GLU 442 Cb -0.49 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 31.65 1smj s GLU 442 CO 0.58 0.59 0.00 0.41 -0.54 0.00 0.00 175.26 176.31 1smj n GLY 443 N 2.23 0.78 3.59 -1.50 0.00 -1.26 -4.51 105.19 104.52 1smj n GLY 443 Ca -0.17 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1smj n GLY 443 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1smj s PHE 444 N -2.64 3.07 0.31 1.61 5.36 -1.26 -5.02 117.98 119.41 1smj s PHE 444 Ca 0.00 0.66 0.03 0.00 -0.96 0.00 0.00 56.93 56.66 1smj s PHE 444 Cb 0.00 -3.62 -0.06 0.00 -0.34 0.00 0.00 43.02 39.01 1smj s PHE 444 CO 0.00 -0.83 0.08 0.14 -1.46 0.00 0.00 175.22 173.14 1smj s VAL 445 N 3.40 0.95 0.14 3.12 -7.23 -1.26 -1.51 120.40 118.02 1smj s VAL 445 Ca 0.36 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.29 1smj s VAL 445 Cb -0.12 -2.71 0.07 0.00 0.56 0.00 0.00 36.38 34.18 1smj s VAL 445 CO 0.19 0.00 0.68 0.68 -0.31 0.00 0.00 175.10 176.34 1smj s VAL 446 N -3.42 0.00 0.03 1.32 -7.23 -0.71 -4.80 120.40 105.58 1smj s VAL 446 Ca 0.36 -0.13 0.02 0.00 -1.81 0.00 0.00 61.98 60.41 1smj s VAL 446 Cb 0.08 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 1smj s VAL 446 CO 0.15 0.00 0.03 -0.54 -0.31 0.00 0.00 175.10 174.43 1smj s LYS 447 N -3.64 2.83 -0.32 4.82 1.02 0.09 -0.30 119.74 124.24 1smj s LYS 447 Ca 0.03 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.39 1smj s LYS 447 Cb -0.02 -2.70 0.10 0.00 -0.52 0.00 0.00 37.83 34.69 1smj s LYS 447 CO -0.10 0.61 0.09 0.00 -0.92 0.00 0.00 175.35 175.03 1smj s ALA 448 N -1.20 1.79 -0.09 5.17 0.00 -1.26 0.13 121.76 126.31 1smj s ALA 448 Ca 0.23 -1.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.06 1smj s ALA 448 Cb -0.12 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 1smj s ALA 448 CO 0.14 -1.67 1.04 0.15 0.00 0.00 0.00 175.76 175.43 1smj s LYS 449 N 1.49 4.42 1.04 0.00 -0.14 0.26 -4.82 119.74 121.97 1smj s LYS 449 Ca 0.10 1.45 -0.11 0.00 -1.36 0.00 0.00 55.97 56.04 1smj s LYS 449 Cb -0.18 -3.54 0.21 0.00 -1.68 0.00 0.00 37.83 32.65 1smj s LYS 449 CO -0.22 -0.32 1.08 -1.54 -0.76 0.00 0.00 175.35 173.59 1smj s SER 450 N 1.15 1.99 -0.41 2.83 1.04 -1.26 0.56 113.70 119.60 1smj s SER 450 Ca 0.50 1.82 0.06 0.00 0.48 0.00 0.00 55.95 58.81 1smj s SER 450 Cb -0.20 -2.42 0.43 0.00 0.10 0.00 0.00 66.02 63.93 1smj s SER 450 CO 0.20 -3.62 1.11 0.29 0.98 0.00 0.00 173.24 172.19 1smj n LYS 451 N -4.56 3.31 0.00 4.02 5.02 -0.84 -4.62 118.16 120.49 1smj n LYS 451 Ca 0.07 -4.37 0.00 0.00 -2.02 0.00 0.00 58.31 51.99 1smj n LYS 451 Cb 0.53 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 1smj n LYS 451 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1smj n LYS 452 N -0.49 0.00 -3.93 1.97 5.02 -1.26 -4.89 118.16 114.57 1smj n LYS 452 Ca 0.38 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.31 1smj n LYS 452 Cb 0.72 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.60 1smj n LYS 452 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1smj s ILE 453 N 0.00 3.77 1.01 -0.18 1.01 -1.26 -5.11 121.20 120.44 1smj s ILE 453 Ca 0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 1smj s ILE 453 Cb 0.00 -2.73 0.25 0.00 0.01 0.00 0.00 42.46 40.00 1smj s ILE 453 CO 0.00 0.40 0.83 -0.81 0.00 0.00 0.00 174.94 175.37 1smj n PRO 454 N 4.65 -3.00 0.00 2.79 -0.04 -1.26 -4.98 135.00 133.16 1smj n PRO 454 Ca -0.17 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1smj n PRO 454 Cb 0.51 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1smj n PRO 454 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93