#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smj s LYS 3 N 0.00 3.71 0.52 0.38 -0.14 -0.04 -5.04 119.74 119.13 1smj s LYS 3 Ca 0.00 0.12 -0.22 0.00 -1.36 0.00 0.00 55.97 54.51 1smj s LYS 3 Cb 0.00 -3.07 -0.06 0.00 -1.68 0.00 0.00 37.83 33.03 1smj s LYS 3 CO 0.00 0.62 1.33 -2.00 -0.76 0.00 0.00 175.35 174.53 1smj s GLU 4 N -1.69 3.32 -0.36 1.68 2.12 -1.26 -4.85 118.70 117.66 1smj s GLU 4 Ca 0.29 2.16 -0.22 0.00 0.36 0.00 0.00 54.97 57.56 1smj s GLU 4 Cb -0.14 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 31.93 1smj s GLU 4 CO 0.16 -1.02 0.69 1.41 -0.54 0.00 0.00 175.26 175.96 1smj s MET 5 N -2.81 3.72 0.43 4.30 -2.45 -1.26 -5.02 119.30 116.20 1smj s MET 5 Ca 0.69 0.17 -0.23 0.00 -1.25 0.00 0.00 55.69 55.07 1smj s MET 5 Cb -0.38 -3.80 -0.09 0.00 1.25 0.00 0.00 34.83 31.81 1smj s MET 5 CO 0.46 -0.77 1.07 -1.25 1.05 0.00 0.00 175.02 175.57 1smj s PRO 6 N 2.86 4.02 -0.29 4.11 0.04 -1.26 -4.81 135.00 139.67 1smj s PRO 6 Ca 0.27 1.53 -0.14 0.00 0.04 0.00 0.00 61.00 62.70 1smj s PRO 6 Cb -0.14 -2.43 0.10 0.00 0.04 0.00 0.00 34.50 32.07 1smj s PRO 6 CO 0.15 -0.27 0.72 -1.14 0.04 0.00 0.00 177.00 176.50 1smj s GLN 7 N -2.67 0.62 0.65 4.56 0.74 -1.26 -2.19 119.66 120.11 1smj s GLN 7 Ca 0.61 1.22 -0.12 0.00 0.05 0.00 0.00 55.36 57.12 1smj s GLN 7 Cb -0.22 0.37 -0.10 0.00 1.10 0.00 0.00 33.01 34.15 1smj s GLN 7 CO 0.27 -0.16 -0.60 -2.30 -0.55 0.00 0.00 175.29 171.96 1smj n PRO 8 N 4.63 0.00 -1.52 1.67 -0.01 -1.26 -4.86 135.00 133.64 1smj n PRO 8 Ca -0.17 0.00 -0.48 0.00 -0.01 0.00 0.00 63.50 62.84 1smj n PRO 8 Cb 0.56 -0.65 -0.03 0.00 -0.01 0.00 0.00 33.50 33.36 1smj n PRO 8 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 1smj n LYS 9 N 1.63 0.75 -4.11 -0.52 4.76 -1.26 -4.99 118.16 114.42 1smj n LYS 9 Ca -0.01 0.26 -0.25 0.00 -2.87 0.00 0.00 58.31 55.44 1smj n LYS 9 Cb 0.38 -1.57 -0.05 0.00 -1.84 0.00 0.00 35.03 31.95 1smj n LYS 9 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1smj s THR 10 N -0.68 4.37 -0.46 -0.18 -4.23 -1.26 -4.47 115.64 108.73 1smj s THR 10 Ca 0.68 -1.22 0.03 0.00 -1.18 0.00 0.00 61.69 60.00 1smj s THR 10 Cb -0.87 -3.26 0.14 0.00 1.34 0.00 0.00 72.50 69.85 1smj s THR 10 CO 0.56 -0.17 0.27 -0.36 -0.54 0.00 0.00 174.62 174.38 1smj s PHE 11 N -1.86 2.08 0.00 3.99 0.40 -0.87 -4.98 117.98 116.74 1smj s PHE 11 Ca 0.31 -2.51 0.00 0.00 -0.60 0.00 0.00 56.93 54.13 1smj s PHE 11 Cb -0.09 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.54 1smj s PHE 11 CO 0.23 -0.76 0.00 0.41 0.70 0.00 0.00 175.22 175.80 1smj n GLY 12 N 3.33 0.00 0.00 4.36 0.00 -1.26 -1.44 105.19 110.19 1smj n GLY 12 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1smj n GLY 12 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1smj n GLU 13 N 0.00 0.00 0.00 1.61 0.28 -1.26 0.67 120.64 121.94 1smj n GLU 13 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.14 1smj n GLU 13 Cb 0.00 0.00 0.58 0.00 1.43 0.00 0.00 31.44 33.45 1smj n GLU 13 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1smj n LEU 14 N -1.63 0.06 0.00 -1.84 7.99 -0.52 -4.35 117.00 116.71 1smj n LEU 14 Ca 0.00 0.45 0.00 0.00 -0.01 0.00 0.00 56.01 56.45 1smj n LEU 14 Cb 0.00 -0.47 0.00 0.00 -0.11 0.00 0.00 43.42 42.84 1smj n LEU 14 CO 0.00 0.01 0.00 0.29 -1.51 0.00 0.00 177.39 176.18 1smj n LYS 15 N -1.52 0.00 -0.01 3.23 4.76 0.21 -2.08 118.16 122.76 1smj n LYS 15 Ca 0.07 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.65 1smj n LYS 15 Cb 0.34 0.00 0.71 0.00 -1.84 0.00 0.00 35.03 34.24 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 3.14 0.73 0.04 4.39 4.13 -0.38 -2.05 115.26 125.27 1smj n ASN 16 Ca 0.00 -1.29 -0.12 0.00 1.68 0.00 0.00 54.58 54.86 1smj n ASN 16 Cb 0.00 -0.01 -0.06 0.00 -1.54 0.00 0.00 39.78 38.17 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 1.12 -0.09 -0.92 3.41 5.85 -1.51 -2.27 115.31 120.89 1smj h LEU 17 Ca 0.00 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.90 1smj h LEU 17 Cb 0.24 0.04 -0.16 0.00 0.37 0.00 0.00 40.66 41.15 1smj h LEU 17 CO 0.00 -0.05 -0.32 -0.65 -0.34 0.00 0.00 178.44 177.08 1smj h PRO 18 N -0.05 -0.02 -0.91 5.25 0.11 -1.79 2.50 132.00 137.08 1smj h PRO 18 Ca 0.02 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.33 1smj h PRO 18 Cb 0.08 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.07 1smj h PRO 18 CO -0.04 -0.01 0.46 -0.07 -0.21 0.00 0.00 178.00 178.13 1smj h LEU 19 N -0.02 0.48 -3.11 2.35 3.38 -1.73 -2.12 115.31 114.55 1smj h LEU 19 Ca 0.37 0.13 -0.24 0.00 0.09 0.00 0.00 57.88 58.24 1smj h LEU 19 Cb 0.63 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.33 1smj h LEU 19 CO -0.94 0.10 0.30 -0.11 0.09 0.00 0.00 178.44 177.88 1smj n LEU 20 N -4.95 5.43 -4.37 1.67 7.94 0.84 -4.80 117.00 118.76 1smj n LEU 20 Ca 0.22 -2.76 -0.46 0.00 -1.11 0.00 0.00 56.01 51.90 1smj n LEU 20 Cb 0.61 -0.87 -0.02 0.00 0.53 0.00 0.00 43.42 43.67 1smj n LEU 20 CO 0.16 0.97 0.64 0.21 -1.11 0.00 0.00 177.39 178.26 1smj s ASN 21 N 0.31 6.75 -0.09 1.96 2.47 -0.80 -4.79 114.94 120.74 1smj s ASN 21 Ca 0.24 -2.52 -0.30 0.00 0.42 0.00 0.00 52.86 50.70 1smj s ASN 21 Cb 0.19 -2.28 0.12 0.00 -1.45 0.00 0.00 41.25 37.84 1smj s ASN 21 CO 0.02 -0.73 0.99 0.28 -3.72 0.00 0.00 177.10 173.94 1smj s THR 22 N 0.97 0.00 -0.86 -5.21 -1.32 -1.26 -5.03 115.64 102.93 1smj s THR 22 Ca 0.24 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.99 1smj s THR 22 Cb -0.08 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.16 1smj s THR 22 CO -0.09 0.00 1.83 0.47 -2.21 0.00 0.00 174.62 174.62 1smj n ASP 23 N 0.11 0.38 -3.35 8.08 8.00 -1.26 -4.30 116.55 124.22 1smj n ASP 23 Ca -0.07 0.54 -0.26 0.00 0.71 0.00 0.00 54.79 55.71 1smj n ASP 23 Cb 0.60 -0.64 -0.08 0.00 -0.02 0.00 0.00 41.12 40.97 1smj n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1smj n LYS 24 N -1.86 1.19 -0.01 -1.24 5.02 -1.26 -4.15 118.16 115.85 1smj n LYS 24 Ca 0.06 -3.70 -0.17 0.00 -2.02 0.00 0.00 58.31 52.48 1smj n LYS 24 Cb 0.37 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 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 4.44 0.44 0.00 1.97 0.13 -1.92 -2.54 132.00 134.53 1smj h PRO 25 Ca 0.14 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1smj h PRO 25 Cb 0.82 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1smj h PRO 25 CO 0.57 1.08 0.00 0.28 -0.23 0.00 0.00 178.00 179.69 1smj n VAL 26 N -4.23 0.00 0.00 1.56 0.31 -1.26 -0.76 118.33 113.94 1smj n VAL 26 Ca -0.09 1.00 0.00 0.00 -0.01 0.00 0.00 64.34 65.23 1smj n VAL 26 Cb 0.64 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1smj n VAL 26 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1smj n GLN 27 N -0.76 0.00 0.13 5.55 6.02 -1.25 0.56 117.38 127.63 1smj n GLN 27 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 1smj n GLN 27 Cb 0.00 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.30 1smj n GLN 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1smj h ALA 28 N 0.00 0.70 0.09 -1.58 0.00 -0.53 -2.83 119.26 115.12 1smj h ALA 28 Ca 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1smj h ALA 28 Cb 0.00 0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.84 1smj h ALA 28 CO 0.00 0.23 -0.59 -0.07 0.00 0.00 0.00 179.25 178.82 1smj h LEU 29 N 0.00 0.36 0.00 0.00 3.38 1.70 -2.17 115.31 118.58 1smj h LEU 29 Ca -0.03 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.00 1smj h LEU 29 Cb 1.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1smj h LEU 29 CO 0.02 1.27 0.00 0.23 0.09 0.00 0.00 178.44 180.05 1smj n MET 30 N -4.26 0.00 -0.50 1.13 2.81 -0.72 0.38 117.12 115.97 1smj n MET 30 Ca -0.13 0.72 0.41 0.00 -1.81 0.00 0.00 57.70 56.89 1smj n MET 30 Cb 0.72 -1.37 0.70 0.00 -0.71 0.00 0.00 33.22 32.56 1smj n MET 30 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1smj h LYS 31 N 0.00 0.06 -0.20 0.03 3.64 -1.58 2.94 116.57 121.45 1smj h LYS 31 Ca 0.00 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1smj h LYS 31 Cb 0.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1smj h LYS 31 CO 0.00 0.04 -0.42 0.82 -2.27 0.00 0.00 179.45 177.62 1smj h ILE 32 N 0.06 1.31 -0.38 2.00 2.04 -0.37 -2.98 117.51 119.18 1smj h ILE 32 Ca 0.83 -1.59 -0.15 0.00 1.00 0.00 0.00 64.86 64.95 1smj h ILE 32 Cb 2.83 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 40.51 1smj h ILE 32 CO -0.30 0.49 -0.37 0.00 0.00 0.00 0.00 178.15 177.98 1smj h ALA 33 N 1.16 0.63 -0.04 1.87 0.00 1.00 0.06 119.26 123.94 1smj h ALA 33 Ca 0.03 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1smj h ALA 33 Cb 0.90 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1smj h ALA 33 CO 0.08 0.67 0.35 -0.44 0.00 0.00 0.00 179.25 179.91 1smj h ASP 34 N 0.74 0.00 0.00 0.00 3.32 -0.66 0.37 116.42 120.18 1smj h ASP 34 Ca 0.07 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1smj h ASP 34 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1smj h ASP 34 CO 0.09 0.00 -1.95 1.21 -1.72 0.00 0.00 179.24 176.87 1smj n GLU 35 N -2.96 0.65 0.00 3.56 2.13 -1.07 -4.72 120.64 118.22 1smj n GLU 35 Ca -0.01 -0.16 0.01 0.00 0.66 0.00 0.00 57.16 57.66 1smj n GLU 35 Cb 0.41 -1.47 -0.00 0.00 0.27 0.00 0.00 31.44 30.64 1smj n GLU 35 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1smj n LEU 36 N -2.25 0.45 0.00 4.31 4.77 -0.01 -5.09 117.00 119.18 1smj n LEU 36 Ca -0.07 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1smj n LEU 36 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1smj n LEU 36 CO 0.41 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1smj n GLY 37 N 0.69 -0.42 0.00 -0.72 0.00 0.11 -4.63 105.19 100.23 1smj n GLY 37 Ca 0.01 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.47 0.00 -3.61 1.61 0.28 -1.26 -4.52 120.64 112.66 1smj n GLU 38 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.94 1smj n GLU 38 Cb 0.00 -0.01 -0.05 0.00 1.43 0.00 0.00 31.44 32.81 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 -2.50 0.00 -0.28 3.84 2.07 -1.26 0.34 121.20 123.42 1smj s ILE 39 Ca -0.00 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.01 1smj s ILE 39 Cb 0.00 -1.00 0.11 0.00 0.13 0.00 0.00 42.46 41.70 1smj s ILE 39 CO 0.00 0.00 0.90 0.72 -1.91 0.00 0.00 174.94 174.65 1smj s PHE 40 N -0.89 -0.65 -0.26 3.50 -0.71 0.51 -4.69 117.98 114.78 1smj s PHE 40 Ca 0.03 1.49 -0.27 0.00 -1.04 0.00 0.00 56.93 57.15 1smj s PHE 40 Cb -0.01 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 42.17 1smj s PHE 40 CO -0.04 -0.31 0.93 0.21 -1.34 0.00 0.00 175.22 174.67 1smj s LYS 41 N 0.58 4.15 -0.18 1.99 2.20 -0.93 0.55 119.74 128.09 1smj s LYS 41 Ca -0.01 1.03 -0.10 0.00 -0.36 0.00 0.00 55.97 56.54 1smj s LYS 41 Cb -0.05 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 1smj s LYS 41 CO -0.07 -0.65 0.14 0.12 -0.36 0.00 0.00 175.35 174.53 1smj s PHE 42 N 3.13 3.45 -0.04 4.03 2.19 -0.54 -4.38 117.98 125.82 1smj s PHE 42 Ca 0.39 0.39 0.07 0.00 0.33 0.00 0.00 56.93 58.11 1smj s PHE 42 Cb -0.14 -2.12 -0.01 0.00 -1.31 0.00 0.00 43.02 39.43 1smj s PHE 42 CO 0.09 0.38 -0.25 -2.00 1.83 0.00 0.00 175.22 175.28 1smj s GLU 43 N 0.06 2.40 0.14 10.12 2.12 -1.26 -0.09 118.70 132.19 1smj s GLU 43 Ca 0.10 -0.91 0.04 0.00 0.36 0.00 0.00 54.97 54.56 1smj s GLU 43 Cb -0.11 -2.12 -0.04 0.00 0.26 0.00 0.00 34.13 32.11 1smj s GLU 43 CO -0.00 0.45 -0.10 0.00 -0.54 0.00 0.00 175.26 175.06 1smj s ALA 44 N -0.33 1.41 0.33 6.30 0.00 -0.80 -1.25 121.76 127.42 1smj s ALA 44 Ca 0.01 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.22 1smj s ALA 44 Cb -0.12 0.05 -0.11 0.00 0.00 0.00 0.00 23.12 22.94 1smj s ALA 44 CO 0.02 -0.10 1.47 -2.14 0.00 0.00 0.00 175.76 175.01 1smj s PRO 45 N -3.69 4.18 0.00 0.00 0.02 -1.26 -2.98 135.00 131.27 1smj s PRO 45 Ca 0.16 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1smj s PRO 45 Cb 0.02 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.52 1smj s PRO 45 CO 0.00 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 1smj n GLY 46 N 1.14 2.33 3.99 0.52 0.00 -1.26 -4.95 105.19 106.96 1smj n GLY 46 Ca 0.03 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 1.36 -0.29 1.61 1.70 -1.16 -5.15 118.95 117.01 1smj s ARG 47 Ca 0.00 -1.08 -0.21 0.00 -0.47 0.00 0.00 55.73 53.97 1smj s ARG 47 Cb 0.00 -2.24 0.18 0.00 -0.57 0.00 0.00 34.95 32.32 1smj s ARG 47 CO 0.00 -1.72 1.26 0.54 -1.08 0.00 0.00 175.30 174.30 1smj s VAL 48 N -3.31 0.00 0.04 4.99 0.11 -1.26 -1.91 120.40 119.06 1smj s VAL 48 Ca 0.69 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.73 1smj s VAL 48 Cb -0.04 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 1smj s VAL 48 CO 0.46 0.00 -0.03 0.28 -3.33 0.00 0.00 175.10 172.48 1smj s THR 49 N 0.55 0.19 -0.26 5.04 -1.32 0.87 -4.56 115.64 116.15 1smj s THR 49 Ca -0.00 -1.56 -0.07 0.00 -1.21 0.00 0.00 61.69 58.85 1smj s THR 49 Cb -0.04 -1.17 -0.02 0.00 -1.51 0.00 0.00 72.50 69.77 1smj s THR 49 CO -0.12 -0.86 0.07 -0.13 -2.21 0.00 0.00 174.62 171.37 1smj s ARG 50 N -3.22 3.50 0.02 7.08 0.52 -1.00 -1.47 118.95 124.38 1smj s ARG 50 Ca 0.01 -0.58 -0.09 0.00 -0.52 0.00 0.00 55.73 54.55 1smj s ARG 50 Cb 0.03 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 1smj s ARG 50 CO -0.07 -0.26 0.33 0.71 0.02 0.00 0.00 175.30 176.03 1smj s TYR 51 N 1.58 3.60 -0.20 -0.53 1.51 0.19 0.27 117.35 123.78 1smj s TYR 51 Ca 0.06 0.70 -0.00 0.00 -1.01 0.00 0.00 57.07 56.82 1smj s TYR 51 Cb -0.16 -2.09 0.05 0.00 -0.11 0.00 0.00 41.96 39.66 1smj s TYR 51 CO 0.03 0.59 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.51 1smj s LEU 52 N -1.67 1.92 -0.09 -1.29 1.02 -0.52 -0.37 118.68 117.67 1smj s LEU 52 Ca 0.28 -0.89 0.12 0.00 0.02 0.00 0.00 54.13 53.66 1smj s LEU 52 Cb -0.14 -0.97 -0.24 0.00 0.02 0.00 0.00 46.19 44.87 1smj s LEU 52 CO 0.16 -0.22 0.47 -1.20 0.02 0.00 0.00 176.35 175.57 1smj n SER 53 N 4.82 0.77 -4.76 2.29 7.64 1.06 -2.85 113.62 122.59 1smj n SER 53 Ca -0.11 0.28 -0.36 0.00 1.01 0.00 0.00 58.87 59.69 1smj n SER 53 Cb 0.46 0.14 -0.08 0.00 -1.01 0.00 0.00 64.21 63.72 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 -6.02 5.91 0.53 6.43 1.04 -1.12 -2.85 113.70 117.62 1smj s SER 54 Ca -0.08 0.28 0.31 0.00 0.48 0.00 0.00 55.95 56.93 1smj s SER 54 Cb 0.07 -1.90 1.46 0.00 0.10 0.00 0.00 66.02 65.75 1smj s SER 54 CO 0.82 0.33 1.89 -0.61 0.98 0.00 0.00 173.24 176.65 1smj h GLN 55 N 5.56 0.02 0.17 4.02 -0.00 -1.85 -0.38 115.11 122.65 1smj h GLN 55 Ca -0.49 -0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.17 1smj h GLN 55 Cb 1.20 -0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.64 1smj h GLN 55 CO 0.62 0.02 -0.46 0.07 0.00 0.00 0.00 178.83 179.07 1smj h ARG 56 N 0.02 -0.68 -0.18 1.69 0.11 -1.96 -0.06 114.38 113.33 1smj h ARG 56 Ca 0.42 0.05 -0.11 0.00 0.10 0.00 0.00 59.98 60.44 1smj h ARG 56 Cb 1.65 0.15 -0.01 0.00 1.11 0.00 0.00 29.97 32.87 1smj h ARG 56 CO -0.02 -0.45 -0.35 -0.07 0.10 0.00 0.00 179.97 179.18 1smj h LEU 57 N -0.70 0.39 -0.73 0.08 -0.00 -1.59 -3.09 115.31 109.68 1smj h LEU 57 Ca -0.01 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.70 1smj h LEU 57 Cb 0.68 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.20 1smj h LEU 57 CO -0.22 0.72 0.40 0.40 -0.00 0.00 0.00 178.44 179.75 1smj h ILE 58 N 0.33 1.22 -0.76 1.22 1.08 -1.01 -1.83 117.51 117.76 1smj h ILE 58 Ca 0.04 -0.55 0.14 0.00 -0.39 0.00 0.00 64.86 64.10 1smj h ILE 58 Cb 0.77 0.25 -0.09 0.00 -3.07 0.00 0.00 36.82 34.68 1smj h ILE 58 CO 0.06 0.24 0.32 0.07 -0.69 0.00 0.00 178.15 178.15 1smj h LYS 59 N 1.00 0.46 0.42 2.37 2.10 -0.91 0.33 116.57 122.35 1smj h LYS 59 Ca 0.26 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.86 1smj h LYS 59 Cb 0.03 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1smj h LYS 59 CO -0.04 0.30 -0.20 0.93 -2.00 0.00 0.00 179.45 178.44 1smj h GLU 60 N 0.47 -0.55 0.00 0.07 5.08 -1.43 -3.09 114.58 115.14 1smj h GLU 60 Ca 0.41 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.78 1smj h GLU 60 Cb 0.61 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1smj h GLU 60 CO -0.39 -0.34 -0.14 0.00 -1.00 0.00 0.00 179.01 177.14 1smj h ALA 61 N -0.04 1.34 0.00 3.43 0.00 -0.87 1.18 119.26 124.30 1smj h ALA 61 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1smj h ALA 61 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1smj h ALA 61 CO 0.10 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1smj s ASP 63 N -2.80 4.92 0.49 0.00 2.15 0.41 -4.86 116.67 116.97 1smj s ASP 63 Ca 0.06 -0.25 0.25 0.00 0.43 0.00 0.00 52.55 53.04 1smj s ASP 63 Cb 0.05 -2.55 0.86 0.00 -0.30 0.00 0.00 42.92 40.99 1smj s ASP 63 CO 0.14 -2.86 1.09 1.21 -0.17 0.00 0.00 175.17 174.58 1smj n GLU 64 N 8.93 0.01 0.13 4.34 4.07 -1.26 0.30 120.64 137.15 1smj n GLU 64 Ca 0.37 0.84 0.12 0.00 -0.06 0.00 0.00 57.16 58.43 1smj n GLU 64 Cb 0.48 -2.06 0.20 0.00 -0.06 0.00 0.00 31.44 30.00 1smj n GLU 64 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1smj h SER 65 N 0.00 0.00 0.00 4.31 0.02 -1.94 -3.37 113.55 112.56 1smj h SER 65 Ca 0.47 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1smj h SER 65 Cb 2.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.06 1smj h SER 65 CO -0.00 0.03 0.00 0.54 -1.14 0.00 0.00 176.83 176.25 1smj n ARG 66 N -2.53 1.88 -3.61 3.45 1.74 0.15 -4.85 116.66 112.87 1smj n ARG 66 Ca 0.03 -0.25 -0.01 0.00 -0.77 0.00 0.00 57.85 56.86 1smj n ARG 66 Cb 0.48 -0.71 -0.04 0.00 -1.02 0.00 0.00 32.46 31.17 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 -0.34 -1.29 0.21 -1.55 0.08 -0.37 -2.15 117.98 112.57 1smj s PHE 67 Ca 0.00 2.20 0.11 0.00 0.12 0.00 0.00 56.93 59.37 1smj s PHE 67 Cb 0.00 0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 43.17 1smj s PHE 67 CO 0.00 -0.64 -0.23 0.34 -0.10 0.00 0.00 175.22 174.59 1smj s ASP 68 N 2.85 3.45 -0.05 1.36 2.15 -1.24 -3.98 116.67 121.21 1smj s ASP 68 Ca -0.05 -0.90 -0.32 0.00 0.43 0.00 0.00 52.55 51.71 1smj s ASP 68 Cb -0.11 -0.26 -0.16 0.00 -0.30 0.00 0.00 42.92 42.09 1smj s ASP 68 CO -0.19 0.10 0.88 1.17 -0.17 0.00 0.00 175.17 176.96 1smj n LYS 69 N 0.07 0.00 -4.43 4.34 4.81 -1.26 -1.94 118.16 119.75 1smj n LYS 69 Ca -0.11 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.07 1smj n LYS 69 Cb 0.57 -1.17 -0.11 0.00 0.02 0.00 0.00 35.03 34.34 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 0.28 3.49 -0.89 3.14 2.47 -0.78 -4.65 114.94 118.00 1smj s ASN 70 Ca 0.72 -0.88 -0.18 0.00 0.42 0.00 0.00 52.86 52.94 1smj s ASN 70 Cb -1.01 -0.28 0.14 0.00 -1.45 0.00 0.00 41.25 38.65 1smj s ASN 70 CO 0.47 0.11 1.05 -0.76 -3.72 0.00 0.00 177.10 174.24 1smj s LEU 71 N -2.81 5.33 0.86 3.21 1.02 -1.26 -3.60 118.68 121.43 1smj s LEU 71 Ca 0.22 -2.10 -0.15 0.00 0.02 0.00 0.00 54.13 52.13 1smj s LEU 71 Cb -0.07 -2.36 -0.04 0.00 0.02 0.00 0.00 46.19 43.73 1smj s LEU 71 CO 0.11 -1.00 0.16 -1.54 0.02 0.00 0.00 176.35 174.11 1smj n SER 72 N 6.15 -2.71 -0.06 2.29 3.41 -1.26 -4.59 113.62 116.86 1smj n SER 72 Ca 0.20 0.41 -0.02 0.00 -0.26 0.00 0.00 58.87 59.20 1smj n SER 72 Cb 0.48 -1.10 -0.02 0.00 -0.26 0.00 0.00 64.21 63.32 1smj n SER 72 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1smj h GLN 73 N -0.96 -0.02 0.00 4.33 5.75 -1.99 -0.48 115.11 121.75 1smj h GLN 73 Ca -0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 1smj h GLN 73 Cb 1.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.87 1smj h GLN 73 CO 0.35 -0.01 0.00 0.00 -2.65 0.00 0.00 178.83 176.52 1smj n ALA 74 N -2.97 0.00 -0.52 3.38 0.00 -1.26 -0.78 120.51 118.36 1smj n ALA 74 Ca 0.00 0.00 0.43 0.00 0.00 0.00 0.00 53.44 53.87 1smj n ALA 74 Cb 0.04 0.05 0.74 0.00 0.00 0.00 0.00 19.45 20.28 1smj n ALA 74 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1smj h LEU 75 N 0.00 0.10 0.77 0.00 3.38 -1.77 0.18 115.31 117.96 1smj h LEU 75 Ca 0.00 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1smj h LEU 75 Cb 0.00 0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1smj h LEU 75 CO 0.00 -0.06 -0.37 0.11 0.09 0.00 0.00 178.44 178.21 1smj h LYS 76 N 0.05 -1.00 -1.05 1.13 1.57 0.72 -2.59 116.57 115.40 1smj h LYS 76 Ca 0.80 0.07 0.32 0.00 -1.87 0.00 0.00 60.65 59.97 1smj h LYS 76 Cb 2.95 0.23 -0.14 0.00 0.08 0.00 0.00 32.23 35.35 1smj h LYS 76 CO -0.16 -0.65 0.62 0.74 -0.57 0.00 0.00 179.45 179.44 1smj h PHE 77 N -1.23 0.85 0.00 -1.35 0.04 0.56 0.30 116.94 116.11 1smj h PHE 77 Ca -0.11 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 1smj h PHE 77 Cb 0.80 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 1smj h PHE 77 CO -0.00 -0.12 -0.01 0.28 -0.60 0.00 0.00 178.31 177.85 1smj h VAL 78 N 0.33 0.04 0.00 -0.55 2.07 -1.20 -3.06 116.25 113.88 1smj h VAL 78 Ca 0.72 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.73 1smj h VAL 78 Cb 1.72 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1smj h VAL 78 CO -0.52 0.01 -0.16 -0.09 0.02 0.00 0.00 177.57 176.83 1smj h ARG 79 N 0.00 0.00 -0.21 1.57 2.43 0.02 0.24 114.38 118.42 1smj h ARG 79 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1smj h ARG 79 Cb 0.45 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1smj h ARG 79 CO 0.00 0.16 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.11 1smj h ASP 80 N 0.00 0.30 0.00 -3.80 3.32 -1.56 1.95 116.42 116.64 1smj h ASP 80 Ca -0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1smj h ASP 80 Cb 0.46 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1smj h ASP 80 CO 0.02 0.42 -1.41 2.22 -1.72 0.00 0.00 179.24 178.76 1smj n PHE 81 N -4.30 0.00 0.06 4.55 -1.74 -1.09 -4.70 117.46 110.25 1smj n PHE 81 Ca 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.90 1smj n PHE 81 Cb 0.24 -0.25 -0.00 0.00 1.52 0.00 0.00 39.48 41.00 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 -1.83 2.33 -0.47 1.98 0.00 0.05 -4.94 120.51 117.63 1smj n ALA 82 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1smj n ALA 82 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 0.58 1.68 2.57 0.00 0.00 0.66 -3.36 105.19 107.32 1smj n GLY 83 Ca 0.01 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.58 6.90 -4.72 1.61 5.68 -1.26 -4.31 116.55 118.86 1smj n ASP 84 Ca 0.00 -3.80 -0.33 0.00 -0.50 0.00 0.00 54.79 50.17 1smj n ASP 84 Cb 0.00 -0.87 0.11 0.00 -1.14 0.00 0.00 41.12 39.22 1smj n ASP 84 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1smj s GLY 85 N -1.96 2.03 0.23 6.12 0.00 -1.21 -4.60 107.32 107.92 1smj s GLY 85 Ca 0.55 0.67 -0.11 0.00 0.00 0.00 0.00 44.72 45.84 1smj s GLY 85 CO -0.20 1.07 1.62 1.41 0.00 0.00 0.00 173.10 177.00 1smj h LEU 86 N -0.87 -0.58 -2.75 0.66 4.07 -1.91 0.35 115.31 114.28 1smj h LEU 86 Ca -0.46 0.21 -0.00 0.00 0.08 0.00 0.00 57.88 57.71 1smj h LEU 86 Cb 1.27 0.41 -0.00 0.00 1.08 0.00 0.00 40.66 43.43 1smj h LEU 86 CO 0.48 -0.22 -0.00 0.15 -1.08 0.00 0.00 178.44 177.76 1smj h PHE 87 N 0.02 0.00 0.00 1.13 3.04 -1.93 -3.11 116.94 116.09 1smj h PHE 87 Ca 0.35 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.30 1smj h PHE 87 Cb 0.56 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.07 1smj h PHE 87 CO -0.53 0.00 0.00 0.25 -2.02 0.00 0.00 178.31 176.02 1smj n THR 88 N -3.18 0.57 -3.45 4.41 -2.24 0.11 -5.03 114.28 105.48 1smj n THR 88 Ca -0.03 -0.69 -0.20 0.00 -2.27 0.00 0.00 64.05 60.86 1smj n THR 88 Cb 0.10 0.77 -0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.57 6.01 0.20 3.42 1.04 -0.24 -4.72 113.70 118.85 1smj s SER 89 Ca 0.00 -0.03 -0.28 0.00 0.48 0.00 0.00 55.95 56.12 1smj s SER 89 Cb 0.00 -1.42 -0.08 0.00 0.10 0.00 0.00 66.02 64.61 1smj s SER 89 CO 0.00 -0.42 0.87 0.26 0.98 0.00 0.00 173.24 174.92 1smj s TRP 90 N -2.23 3.95 0.16 5.02 0.52 -1.26 -4.98 118.94 120.12 1smj s TRP 90 Ca 0.44 1.79 -0.27 0.00 0.02 0.00 0.00 56.10 58.07 1smj s TRP 90 Cb -0.10 -2.89 0.00 0.00 -1.15 0.00 0.00 33.47 29.34 1smj s TRP 90 CO 0.32 0.47 1.56 1.15 0.02 0.00 0.00 176.95 180.48 1smj h THR 91 N 3.26 0.05 0.00 2.01 2.02 -1.96 -2.00 112.91 116.29 1smj h THR 91 Ca -0.46 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.13 1smj h THR 91 Cb 1.20 0.05 0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1smj h THR 91 CO 0.67 0.00 3.21 1.41 0.37 0.00 0.00 175.52 181.18 1smj n HIS 92 N -5.38 2.27 -3.75 3.16 8.25 -1.26 -4.20 115.22 114.31 1smj n HIS 92 Ca 0.01 -2.61 -0.12 0.00 -0.26 0.00 0.00 57.72 54.73 1smj n HIS 92 Cb 0.34 -2.19 -0.11 0.00 1.12 0.00 0.00 29.99 29.15 1smj n HIS 92 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1smj s GLU 93 N 3.02 0.33 0.53 -0.41 2.12 -0.75 -5.07 118.70 118.47 1smj s GLU 93 Ca 0.56 0.50 0.19 0.00 0.36 0.00 0.00 54.97 56.58 1smj s GLU 93 Cb 0.15 0.08 1.34 0.00 0.26 0.00 0.00 34.13 35.96 1smj s GLU 93 CO -0.04 -0.08 2.12 -0.22 -0.54 0.00 0.00 175.26 176.50 1smj h LYS 94 N 6.19 0.00 0.00 4.30 1.63 -1.87 0.13 116.57 126.95 1smj h LYS 94 Ca -0.31 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.31 1smj h LYS 94 Cb 1.18 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.78 1smj h LYS 94 CO 0.32 0.00 -1.14 -0.91 -3.45 0.00 0.00 179.45 174.27 1smj h ASN 95 N 0.00 0.00 0.00 4.20 4.21 -1.91 -2.94 115.58 119.13 1smj h ASN 95 Ca 0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1smj h ASN 95 Cb 0.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 1smj h ASN 95 CO -0.00 0.71 0.00 1.87 -1.29 0.00 0.00 177.43 178.72 1smj n TRP 96 N -3.09 0.00 -0.05 1.19 -0.00 0.03 -0.60 117.44 114.91 1smj n TRP 96 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.41 1smj n TRP 96 Cb 0.87 -0.20 -0.02 0.00 -0.00 0.00 0.00 31.31 31.95 1smj n TRP 96 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 1smj h LYS 97 N 0.00 -0.06 -0.84 5.87 1.63 -1.69 -0.96 116.57 120.51 1smj h LYS 97 Ca 0.00 0.00 0.11 0.00 -0.85 0.00 0.00 60.65 59.91 1smj h LYS 97 Cb 0.00 0.01 -0.13 0.00 -0.60 0.00 0.00 32.23 31.52 1smj h LYS 97 CO 0.00 -0.04 -0.47 -0.22 -3.45 0.00 0.00 179.45 175.26 1smj h LYS 98 N -0.07 -0.08 -0.16 1.90 3.64 -1.39 -0.38 116.57 120.02 1smj h LYS 98 Ca 0.02 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1smj h LYS 98 Cb 0.13 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1smj h LYS 98 CO -0.17 -0.06 -0.14 0.00 -2.27 0.00 0.00 179.45 176.82 1smj h ALA 99 N 0.81 -0.02 -0.85 5.00 0.00 -0.51 -0.39 119.26 123.30 1smj h ALA 99 Ca 0.22 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.34 1smj h ALA 99 Cb 0.53 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 18.47 1smj h ALA 99 CO -0.86 -0.58 -0.30 1.58 0.00 0.00 0.00 179.25 179.09 1smj n HIS 100 N -5.29 0.11 0.13 0.00 -0.00 -0.19 -1.30 115.22 108.68 1smj n HIS 100 Ca -0.02 1.05 -0.21 0.00 -0.00 0.00 0.00 57.72 58.54 1smj n HIS 100 Cb 0.20 -0.87 -0.15 0.00 -0.00 0.00 0.00 29.99 29.17 1smj n HIS 100 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.34 175.43 1smj h ASN 101 N 0.00 0.68 -0.41 0.26 2.35 -0.94 -2.22 115.58 115.30 1smj h ASN 101 Ca 0.33 -0.71 -0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1smj h ASN 101 Cb 0.54 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1smj h ASN 101 CO -0.86 1.56 0.25 0.40 -1.65 0.00 0.00 177.43 177.13 1smj h ILE 102 N 0.13 1.13 0.00 2.81 2.04 -0.44 -3.35 117.51 119.82 1smj h ILE 102 Ca -0.20 -0.28 -0.28 0.00 1.00 0.00 0.00 64.86 65.10 1smj h ILE 102 Cb 2.07 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.69 1smj h ILE 102 CO 0.24 0.13 -2.01 0.18 0.00 0.00 0.00 178.15 176.70 1smj n LEU 103 N -4.77 0.37 -0.26 1.44 7.99 -0.42 -4.27 117.00 117.08 1smj n LEU 103 Ca 0.00 0.17 0.30 0.00 -0.01 0.00 0.00 56.01 56.47 1smj n LEU 103 Cb 0.05 0.29 0.69 0.00 -0.11 0.00 0.00 43.42 44.34 1smj n LEU 103 CO 0.35 0.36 1.28 0.25 -1.51 0.00 0.00 177.39 178.12 1smj h LEU 104 N 0.00 0.10 -1.62 2.23 5.85 -1.54 0.22 115.31 120.55 1smj h LEU 104 Ca -0.36 0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.56 1smj h LEU 104 Cb 1.95 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.92 1smj h LEU 104 CO 0.04 0.02 0.55 1.55 -0.34 0.00 0.00 178.44 180.26 1smj h PRO 105 N 0.09 0.33 0.00 5.25 0.13 -1.78 -2.94 132.00 133.09 1smj h PRO 105 Ca 0.51 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.62 1smj h PRO 105 Cb 1.86 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.92 1smj h PRO 105 CO -0.06 0.22 0.00 0.43 -0.23 0.00 0.00 178.00 178.36 1smj n SER 106 N -4.46 0.00 -2.28 1.44 7.64 0.77 -2.76 113.62 113.97 1smj n SER 106 Ca 0.16 0.48 -0.21 0.00 1.01 0.00 0.00 58.87 60.31 1smj n SER 106 Cb 0.64 -0.49 0.02 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.49 2.65 -1.68 1.43 3.72 -1.11 -4.75 117.46 116.22 1smj n PHE 107 Ca 0.02 -2.48 -0.15 0.00 -0.05 0.00 0.00 57.45 54.80 1smj n PHE 107 Cb 0.11 -0.26 0.10 0.00 -0.94 0.00 0.00 39.48 38.49 1smj n PHE 107 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1smj n SER 108 N -0.60 0.19 0.00 4.37 3.41 -1.11 -4.96 113.62 114.92 1smj n SER 108 Ca 0.36 -1.33 0.12 0.00 -0.26 0.00 0.00 58.87 57.76 1smj n SER 108 Cb 0.86 -0.50 0.54 0.00 -0.26 0.00 0.00 64.21 64.85 1smj n SER 108 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1smj n GLN 109 N -2.39 0.11 0.00 4.33 -0.06 -1.26 -3.48 117.38 114.63 1smj n GLN 109 Ca 0.09 0.08 0.00 0.00 -2.00 0.00 0.00 57.00 55.17 1smj n GLN 109 Cb 0.31 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.99 1smj n GLN 109 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1smj n GLN 110 N -1.43 2.56 0.03 3.69 10.64 -1.26 -3.98 117.38 127.63 1smj n GLN 110 Ca 0.08 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.12 1smj n GLN 110 Cb 0.25 -0.75 -0.06 0.00 -0.86 0.00 0.00 30.24 28.82 1smj n GLN 110 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1smj h ALA 111 N 0.00 -0.56 -0.97 2.61 0.00 -1.84 -3.08 119.26 115.42 1smj h ALA 111 Ca 0.00 -0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.17 1smj h ALA 111 Cb 0.00 0.70 -0.14 0.00 0.00 0.00 0.00 17.79 18.34 1smj h ALA 111 CO 0.00 -0.90 0.50 0.52 0.00 0.00 0.00 179.25 179.37 1smj h MET 112 N -0.50 0.35 -0.32 0.00 2.86 -1.74 0.13 114.93 115.71 1smj h MET 112 Ca 0.07 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.53 1smj h MET 112 Cb 0.61 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1smj h MET 112 CO -0.33 0.23 -0.42 0.87 1.06 0.00 0.00 176.91 178.32 1smj h LYS 113 N 0.36 0.81 -0.15 1.72 1.57 -1.68 -2.67 116.57 116.53 1smj h LYS 113 Ca 0.67 -0.44 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1smj h LYS 113 Cb 1.42 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.70 1smj h LYS 113 CO -0.58 1.07 -0.13 0.78 -0.57 0.00 0.00 179.45 180.02 1smj h GLY 114 N 0.86 -0.02 0.55 3.86 0.00 -0.67 -2.92 103.07 104.74 1smj h GLY 114 Ca 0.05 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1smj h GLY 114 CO 0.09 -0.14 -0.41 -0.97 0.00 0.00 0.00 176.54 175.12 1smj h TYR 115 N -0.14 -1.12 0.00 5.60 0.05 -1.54 -3.08 116.97 116.73 1smj h TYR 115 Ca 0.10 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1smj h TYR 115 Cb 0.29 0.44 0.00 0.00 1.01 0.00 0.00 36.73 38.47 1smj h TYR 115 CO -0.26 -0.56 0.00 1.58 -1.05 0.00 0.00 178.16 177.87 1smj n HIS 116 N -5.50 0.00 0.12 4.88 -0.00 -1.01 0.10 115.22 113.82 1smj n HIS 116 Ca -0.10 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.06 1smj n HIS 116 Cb 0.40 -0.49 0.12 0.00 -0.12 0.00 0.00 29.99 29.89 1smj n HIS 116 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1smj h ALA 117 N 0.00 0.84 0.53 1.57 0.00 -1.67 -3.11 119.26 117.41 1smj h ALA 117 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 1smj h ALA 117 Cb 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1smj h ALA 117 CO 0.00 0.85 -0.25 0.52 0.00 0.00 0.00 179.25 180.36 1smj h MET 118 N 0.00 -0.69 -0.49 0.00 2.07 0.49 -2.69 114.93 113.63 1smj h MET 118 Ca -0.01 0.05 0.12 0.00 -2.07 0.00 0.00 59.70 57.79 1smj h MET 118 Cb 1.23 0.16 -0.09 0.00 -1.87 0.00 0.00 31.60 31.03 1smj h MET 118 CO 0.09 -0.39 -0.03 -1.33 1.07 0.00 0.00 176.91 176.32 1smj n MET 119 N -5.27 -0.04 0.21 1.72 2.81 -0.99 -0.87 117.12 114.69 1smj n MET 119 Ca -0.10 0.74 -0.15 0.00 -1.81 0.00 0.00 57.70 56.38 1smj n MET 119 Cb 0.31 -1.15 -0.08 0.00 -0.71 0.00 0.00 33.22 31.59 1smj n MET 119 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1smj h VAL 120 N 0.00 0.65 -0.77 2.03 2.07 -1.49 -2.19 116.25 116.54 1smj h VAL 120 Ca 0.28 -0.25 0.13 0.00 0.82 0.00 0.00 66.70 67.67 1smj h VAL 120 Cb 0.53 0.78 -0.14 0.00 -1.52 0.00 0.00 31.29 30.94 1smj h VAL 120 CO -0.47 0.05 -0.35 -0.78 0.02 0.00 0.00 177.57 176.05 1smj h ASP 121 N -0.64 -1.24 -0.04 0.57 1.82 -0.66 1.11 116.42 117.35 1smj h ASP 121 Ca -0.05 0.26 0.02 0.00 -0.39 0.00 0.00 57.03 56.87 1smj h ASP 121 Cb 0.46 0.64 -0.06 0.00 0.68 0.00 0.00 39.33 41.06 1smj h ASP 121 CO 0.08 -0.30 -0.52 0.40 -1.61 0.00 0.00 179.24 177.30 1smj h ILE 122 N -0.08 0.00 -0.86 2.25 1.08 -1.64 0.11 117.51 118.37 1smj h ILE 122 Ca 0.29 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.84 1smj h ILE 122 Cb 0.57 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.26 1smj h ILE 122 CO -0.82 0.00 0.52 0.00 -0.69 0.00 0.00 178.15 177.17 1smj h ALA 123 N -0.44 1.21 -0.33 1.87 0.00 -0.34 0.11 119.26 121.35 1smj h ALA 123 Ca 0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1smj h ALA 123 Cb 0.68 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1smj h ALA 123 CO -0.37 0.22 0.19 0.28 0.00 0.00 0.00 179.25 179.58 1smj h VAL 124 N 0.92 1.04 -0.72 0.00 2.07 0.15 0.62 116.25 120.33 1smj h VAL 124 Ca 0.39 -0.14 0.13 0.00 0.82 0.00 0.00 66.70 67.91 1smj h VAL 124 Cb 0.26 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 1smj h VAL 124 CO -0.20 0.07 0.26 1.56 0.02 0.00 0.00 177.57 179.28 1smj h GLN 125 N 0.39 0.40 0.44 1.57 4.20 0.90 0.11 115.11 123.11 1smj h GLN 125 Ca 0.13 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1smj h GLN 125 Cb -0.01 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1smj h GLN 125 CO -0.06 0.26 -0.21 1.25 -0.67 0.00 0.00 178.83 179.41 1smj h LEU 126 N 0.41 -0.50 -0.74 1.46 7.12 0.13 0.27 115.31 123.46 1smj h LEU 126 Ca 0.39 -0.10 0.14 0.00 0.13 0.00 0.00 57.88 58.45 1smj h LEU 126 Cb 0.58 0.13 -0.14 0.00 -0.53 0.00 0.00 40.66 40.70 1smj h LEU 126 CO -0.40 -0.16 -0.22 0.58 -0.13 0.00 0.00 178.44 178.12 1smj h VAL 127 N -0.87 0.22 -0.41 1.05 2.07 -0.82 0.67 116.25 118.16 1smj h VAL 127 Ca -0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 1smj h VAL 127 Cb 0.56 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1smj h VAL 127 CO 0.10 0.00 0.05 1.56 0.02 0.00 0.00 177.57 179.30 1smj h GLN 128 N -0.02 0.69 -0.75 1.57 4.20 0.02 0.85 115.11 121.67 1smj h GLN 128 Ca 0.34 -0.19 0.12 0.00 0.06 0.00 0.00 58.65 58.98 1smj h GLN 128 Cb 0.55 -0.08 -0.13 0.00 0.30 0.00 0.00 27.48 28.13 1smj h GLN 128 CO -0.77 0.74 -0.27 1.17 -0.67 0.00 0.00 178.83 179.04 1smj n LYS 129 N -4.49 -0.15 0.11 1.46 4.81 0.88 -0.15 118.16 120.64 1smj n LYS 129 Ca -0.00 1.16 -0.00 0.00 -0.87 0.00 0.00 58.31 58.59 1smj n LYS 129 Cb 0.25 -1.72 -0.02 0.00 0.02 0.00 0.00 35.03 33.56 1smj n LYS 129 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1smj h TRP 130 N 0.00 0.00 -0.22 5.64 6.55 0.67 -1.50 115.95 127.10 1smj h TRP 130 Ca 0.29 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 60.00 1smj h TRP 130 Cb 0.47 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.76 1smj h TRP 130 CO -0.64 0.63 -0.39 0.93 -1.05 0.00 0.00 178.44 177.93 1smj h GLU 131 N 0.00 0.51 0.00 0.49 4.39 0.75 -3.12 114.58 117.60 1smj h GLU 131 Ca -0.02 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1smj h GLU 131 Cb 1.50 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 1smj h GLU 131 CO 0.08 0.81 -0.41 0.54 -1.16 0.00 0.00 179.01 178.87 1smj n ARG 132 N -4.04 0.20 -1.61 2.33 1.74 0.78 -4.85 116.66 111.22 1smj n ARG 132 Ca -0.01 0.09 -0.47 0.00 -0.77 0.00 0.00 57.85 56.68 1smj n ARG 132 Cb 0.50 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1smj n ARG 132 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1smj n LEU 133 N -1.97 2.04 -4.75 0.55 4.32 -0.82 -5.03 117.00 111.34 1smj n LEU 133 Ca 0.05 1.14 -0.29 0.00 -0.02 0.00 0.00 56.01 56.89 1smj n LEU 133 Cb 0.41 -1.29 0.14 0.00 -1.62 0.00 0.00 43.42 41.06 1smj n LEU 133 CO 0.34 -1.06 0.69 0.54 -1.22 0.00 0.00 177.39 176.68 1smj s ASN 134 N 0.05 3.50 0.23 -1.43 6.03 -1.26 -4.99 114.94 117.07 1smj s ASN 134 Ca 0.71 1.20 -0.16 0.00 -1.03 0.00 0.00 52.86 53.58 1smj s ASN 134 Cb -0.78 -1.86 0.27 0.00 -3.03 0.00 0.00 41.25 35.85 1smj s ASN 134 CO 0.52 -2.58 1.56 0.00 -2.03 0.00 0.00 177.10 174.57 1smj h ALA 135 N -1.51 0.25 0.00 3.54 0.00 -1.99 -2.37 119.26 117.17 1smj h ALA 135 Ca -0.51 0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1smj h ALA 135 Cb 1.31 0.90 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 1smj h ALA 135 CO 0.59 -0.57 -0.21 0.38 0.00 0.00 0.00 179.25 179.44 1smj h ASP 136 N -0.03 0.00 -4.01 0.00 2.03 -2.03 -3.45 116.42 108.93 1smj h ASP 136 Ca 0.36 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 56.17 1smj h ASP 136 Cb 0.61 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 39.15 1smj h ASP 136 CO -0.93 0.21 0.43 -0.70 -1.03 0.00 0.00 179.24 177.21 1smj s GLU 137 N -4.17 3.91 0.46 4.15 2.12 -0.90 -5.04 118.70 119.23 1smj s GLU 137 Ca -0.02 1.56 0.05 0.00 0.36 0.00 0.00 54.97 56.91 1smj s GLU 137 Cb 0.13 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 32.11 1smj s GLU 137 CO 0.64 -0.37 0.05 -3.38 -0.54 0.00 0.00 175.26 171.66 1smj s HIS 138 N -1.70 2.21 -0.13 5.30 -3.43 -1.26 -4.82 115.29 111.45 1smj s HIS 138 Ca 0.63 -0.79 -0.05 0.00 -0.80 0.00 0.00 55.06 54.05 1smj s HIS 138 Cb -0.23 -1.74 -0.04 0.00 -1.43 0.00 0.00 32.58 29.15 1smj s HIS 138 CO 0.28 0.28 0.03 0.96 -2.00 0.00 0.00 174.74 174.29 1smj s ILE 139 N -2.77 4.53 -0.19 -5.38 -4.36 -0.47 -4.98 121.20 107.59 1smj s ILE 139 Ca 0.24 -0.15 -0.15 0.00 -0.26 0.00 0.00 60.65 60.33 1smj s ILE 139 Cb 0.05 -2.97 -0.04 0.00 1.25 0.00 0.00 42.46 40.75 1smj s ILE 139 CO 0.13 0.54 0.35 -1.61 0.24 0.00 0.00 174.94 174.58 1smj s GLU 140 N -0.27 4.20 -0.01 0.37 2.02 -1.26 -2.58 118.70 121.17 1smj s GLU 140 Ca 0.07 0.14 -0.00 0.00 0.02 0.00 0.00 54.97 55.20 1smj s GLU 140 Cb -0.12 -3.50 -0.00 0.00 0.10 0.00 0.00 34.13 30.61 1smj s GLU 140 CO 0.02 0.07 -0.00 0.28 0.02 0.00 0.00 175.26 175.64 1smj h VAL 141 N 4.90 0.00 -0.45 2.63 2.07 -1.90 -2.40 116.25 121.11 1smj h VAL 141 Ca -0.38 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.16 1smj h VAL 141 Cb 1.16 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1smj h VAL 141 CO 0.73 0.00 0.31 1.55 0.02 0.00 0.00 177.57 180.18 1smj h PRO 142 N -0.09 0.12 0.33 1.57 0.13 -1.84 0.68 132.00 132.89 1smj h PRO 142 Ca 0.00 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1smj h PRO 142 Cb 0.01 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1smj h PRO 142 CO 0.00 0.08 -0.16 0.93 -0.23 0.00 0.00 178.00 178.62 1smj h GLU 143 N 0.12 -0.42 -0.23 0.86 3.07 -1.91 -2.23 114.58 113.84 1smj h GLU 143 Ca 0.21 0.03 0.07 0.00 -0.50 0.00 0.00 59.36 59.16 1smj h GLU 143 Cb 0.68 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 1smj h GLU 143 CO -0.02 -0.28 0.44 -0.44 -1.40 0.00 0.00 179.01 177.30 1smj h ASP 144 N -0.63 0.00 0.06 1.42 3.32 -1.17 -1.20 116.42 118.22 1smj h ASP 144 Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1smj h ASP 144 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1smj h ASP 144 CO 0.07 0.00 -0.03 0.24 -1.72 0.00 0.00 179.24 177.80 1smj h MET 145 N 0.00 -0.08 -0.09 3.56 2.86 0.49 -2.84 114.93 118.84 1smj h MET 145 Ca 0.11 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1smj h MET 145 Cb 0.98 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 1smj h MET 145 CO -0.00 0.49 0.33 1.15 1.06 0.00 0.00 176.91 179.94 1smj h THR 146 N -0.75 0.09 0.00 2.22 2.02 -0.62 0.83 112.91 116.70 1smj h THR 146 Ca -0.01 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.94 1smj h THR 146 Cb 0.61 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1smj h THR 146 CO 0.01 0.00 -1.24 -0.09 0.37 0.00 0.00 175.52 174.57 1smj h ARG 147 N 0.00 0.00 0.02 6.66 2.43 -1.17 -2.92 114.38 119.40 1smj h ARG 147 Ca 0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1smj h ARG 147 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1smj h ARG 147 CO -0.00 0.79 -0.01 1.25 -1.51 0.00 0.00 179.97 180.49 1smj h LEU 148 N 0.00 -0.03 -0.11 3.80 5.85 0.83 -3.16 115.31 122.50 1smj h LEU 148 Ca -0.11 -0.65 0.02 0.00 0.84 0.00 0.00 57.88 57.98 1smj h LEU 148 Cb 1.84 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.83 1smj h LEU 148 CO 0.11 0.77 -0.36 0.74 -0.34 0.00 0.00 178.44 179.35 1smj h THR 149 N -0.96 0.00 -0.93 1.05 2.02 -1.09 -0.44 112.91 112.56 1smj h THR 149 Ca -0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1smj h THR 149 Cb 0.67 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 1smj h THR 149 CO 0.01 0.00 0.60 0.25 0.37 0.00 0.00 175.52 176.75 1smj h LEU 150 N -0.38 0.94 -0.78 2.58 5.85 -1.67 -1.43 115.31 120.42 1smj h LEU 150 Ca 0.02 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 1smj h LEU 150 Cb 0.45 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1smj h LEU 150 CO -0.30 0.61 -0.39 0.44 -0.34 0.00 0.00 178.44 178.46 1smj h ASP 151 N 1.07 0.48 0.00 1.25 5.19 -1.29 0.07 116.42 123.20 1smj h ASP 151 Ca 0.39 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1smj h ASP 151 Cb 0.17 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1smj h ASP 151 CO -0.15 0.82 0.00 0.41 -3.12 0.00 0.00 179.24 177.21 1smj n THR 152 N -4.04 0.00 -0.32 0.35 -1.04 -0.26 -1.37 114.28 107.60 1smj n THR 152 Ca -0.01 0.96 0.29 0.00 -2.04 0.00 0.00 64.05 63.24 1smj n THR 152 Cb 0.49 -1.82 0.50 0.00 -1.82 0.00 0.00 70.33 67.68 1smj n THR 152 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1smj n ILE 153 N -1.36 -0.25 0.14 12.58 0.13 -0.59 -1.56 119.36 128.46 1smj n ILE 153 Ca 0.00 1.47 -0.06 0.00 -1.10 0.00 0.00 62.75 63.06 1smj n ILE 153 Cb 0.00 -2.40 -0.03 0.00 -0.84 0.00 0.00 39.64 36.37 1smj n ILE 153 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1smj h GLY 154 N 0.00 -0.64 -0.04 4.50 0.00 -0.77 -1.57 103.07 104.55 1smj h GLY 154 Ca 0.67 0.27 0.04 0.00 0.00 0.00 0.00 47.33 48.30 1smj h GLY 154 CO -0.46 -0.22 -0.48 -2.00 0.00 0.00 0.00 176.54 173.37 1smj h LEU 155 N -0.39 -1.52 0.73 3.11 5.85 0.06 -1.18 115.31 121.98 1smj h LEU 155 Ca -0.03 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1smj h LEU 155 Cb 0.31 0.60 0.01 0.00 0.37 0.00 0.00 40.66 41.95 1smj h LEU 155 CO 0.03 -0.47 -0.35 0.00 -0.34 0.00 0.00 178.44 177.31 1smj n GLY 157 N -1.01 -0.95 0.00 0.00 0.00 -0.59 -4.23 105.19 98.41 1smj n GLY 157 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1smj n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1smj n PHE 158 N -0.71 0.00 -4.06 1.61 3.72 -0.46 -3.09 117.46 114.46 1smj n PHE 158 Ca 0.10 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.17 1smj n PHE 158 Cb 0.04 0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 -3.46 -4.27 4.37 5.15 0.15 -4.91 115.26 112.30 1smj n ASN 159 Ca 0.00 -0.92 -0.26 0.00 -0.60 0.00 0.00 54.58 52.80 1smj n ASN 159 Cb 0.07 -3.25 -0.14 0.00 -0.53 0.00 0.00 39.78 35.93 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 -3.38 1.89 -0.66 1.20 5.04 -1.18 -4.93 117.35 115.33 1smj s TYR 160 Ca 0.61 -0.38 -0.09 0.00 -2.44 0.00 0.00 57.07 54.76 1smj s TYR 160 Cb -0.32 -1.12 0.17 0.00 0.35 0.00 0.00 41.96 41.04 1smj s TYR 160 CO 0.88 0.10 0.54 1.03 -1.34 0.00 0.00 175.55 176.76 1smj s ARG 161 N -1.22 2.94 0.55 4.97 0.52 -1.26 -1.31 118.95 124.14 1smj s ARG 161 Ca 0.08 -2.27 0.28 0.00 -0.52 0.00 0.00 55.73 53.30 1smj s ARG 161 Cb -0.09 -4.06 1.46 0.00 0.52 0.00 0.00 34.95 32.78 1smj s ARG 161 CO 0.02 -1.23 1.94 0.74 0.02 0.00 0.00 175.30 176.79 1smj h PHE 162 N 7.75 0.00 -2.34 -0.53 0.04 -1.91 -3.47 116.94 116.49 1smj h PHE 162 Ca -0.04 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.41 1smj h PHE 162 Cb 1.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.16 1smj h PHE 162 CO 0.81 0.00 -0.42 0.09 -0.60 0.00 0.00 178.31 178.19 1smj n ASN 163 N -4.14 -4.88 -0.24 2.17 4.13 -1.26 -4.83 115.26 106.21 1smj n ASN 163 Ca 0.12 -0.01 0.32 0.00 1.68 0.00 0.00 54.58 56.68 1smj n ASN 163 Cb 0.72 -3.99 0.73 0.00 -1.54 0.00 0.00 39.78 35.70 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 0.00 0.00 0.29 6.41 0.02 -1.91 1.13 113.55 119.49 1smj h SER 164 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1smj h SER 164 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1smj h SER 164 CO 0.46 0.00 -0.28 0.49 -1.14 0.00 0.00 176.83 176.36 1smj n PHE 165 N -4.08 0.00 1.09 3.45 3.72 -1.26 -2.25 117.46 118.13 1smj n PHE 165 Ca 0.22 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.68 1smj n PHE 165 Cb 1.13 -0.15 0.19 0.00 -0.94 0.00 0.00 39.48 39.71 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 -0.81 0.36 -4.07 1.38 4.02 0.39 -4.89 117.16 113.54 1smj n TYR 166 Ca 0.11 -0.18 -0.14 0.00 -0.01 0.00 0.00 57.90 57.68 1smj n TYR 166 Cb 0.34 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.53 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 -1.64 0.39 0.00 -0.72 1.70 -0.95 -5.01 118.95 112.72 1smj s ARG 167 Ca 0.23 -0.38 0.28 0.00 -0.47 0.00 0.00 55.73 55.40 1smj s ARG 167 Cb 0.12 -0.27 1.16 0.00 -0.57 0.00 0.00 34.95 35.38 1smj s ARG 167 CO 0.16 0.06 1.80 -0.40 -1.08 0.00 0.00 175.30 175.85 1smj n ASP 168 N 2.39 1.19 -4.25 -2.89 5.75 -1.26 -4.80 116.55 112.68 1smj n ASP 168 Ca -0.17 -1.33 -0.29 0.00 -0.01 0.00 0.00 54.79 52.99 1smj n ASP 168 Cb 0.57 0.01 -0.16 0.00 -1.03 0.00 0.00 41.12 40.51 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 -2.07 2.01 -0.47 0.11 -1.52 -1.26 -5.06 119.66 111.40 1smj s GLN 169 Ca 0.38 -0.83 -0.43 0.00 -1.95 0.00 0.00 55.36 52.53 1smj s GLN 169 Cb 0.21 -1.87 -0.18 0.00 -0.22 0.00 0.00 33.01 30.95 1smj s GLN 169 CO 0.36 0.45 1.78 -2.30 -0.25 0.00 0.00 175.29 175.33 1smj n PRO 170 N 2.66 0.00 -1.28 2.91 -0.02 -1.26 -4.79 135.00 133.22 1smj n PRO 170 Ca -0.16 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 60.85 1smj n PRO 170 Cb 0.52 -1.42 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 1smj n PRO 170 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1smj n HIS 171 N 5.49 0.08 -0.22 6.00 -0.00 -1.26 -4.63 115.22 120.68 1smj n HIS 171 Ca 0.41 0.89 -0.05 0.00 -0.00 0.00 0.00 57.72 58.97 1smj n HIS 171 Cb -0.05 -1.78 0.00 0.00 -0.00 0.00 0.00 29.99 28.16 1smj n HIS 171 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1smj h PRO 172 N 1.78 -0.15 -0.94 1.57 0.11 -2.01 -0.49 132.00 131.88 1smj h PRO 172 Ca -0.35 0.01 0.37 0.00 0.11 0.00 0.00 66.00 66.14 1smj h PRO 172 Cb 1.26 0.03 -0.17 0.00 0.11 0.00 0.00 31.00 32.24 1smj h PRO 172 CO 0.54 -0.10 0.40 0.34 -0.21 0.00 0.00 178.00 178.97 1smj n PHE 173 N -5.43 0.99 0.03 0.65 7.35 -1.26 -0.65 117.46 119.14 1smj n PHE 173 Ca 0.04 1.11 -0.01 0.00 -0.76 0.00 0.00 57.45 57.83 1smj n PHE 173 Cb 0.36 -1.45 -0.01 0.00 0.35 0.00 0.00 39.48 38.73 1smj n PHE 173 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1smj h ILE 174 N 0.00 0.00 -0.73 -2.13 1.08 -1.40 0.08 117.51 114.42 1smj h ILE 174 Ca 0.75 -0.00 0.27 0.00 -0.39 0.00 0.00 64.86 65.49 1smj h ILE 174 Cb 1.91 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.53 1smj h ILE 174 CO -0.76 0.00 0.26 0.41 -0.69 0.00 0.00 178.15 177.37 1smj n THR 175 N -2.21 -0.30 0.04 -0.27 -1.04 0.18 0.18 114.28 110.86 1smj n THR 175 Ca -0.01 1.51 -0.17 0.00 -2.04 0.00 0.00 64.05 63.34 1smj n THR 175 Cb 0.03 -2.37 -0.07 0.00 -1.82 0.00 0.00 70.33 66.09 1smj n THR 175 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1smj h SER 176 N 0.00 0.80 -0.01 8.00 0.02 -0.88 -3.15 113.55 118.32 1smj h SER 176 Ca 0.56 -0.61 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 1smj h SER 176 Cb 1.38 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 63.69 1smj h SER 176 CO -0.60 1.40 -0.49 -0.03 -1.14 0.00 0.00 176.83 175.97 1smj h MET 177 N 0.38 0.35 0.00 3.45 -1.53 0.40 -1.80 114.93 116.18 1smj h MET 177 Ca -0.10 -0.36 -0.03 0.00 -3.44 0.00 0.00 59.70 55.77 1smj h MET 177 Cb 1.59 0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 32.73 1smj h MET 177 CO 0.18 1.04 -0.13 -0.39 0.14 0.00 0.00 176.91 177.76 1smj h VAL 178 N -0.19 0.81 -0.37 -5.77 -1.51 -0.90 0.17 116.25 108.50 1smj h VAL 178 Ca -0.06 -0.48 -0.14 0.00 -1.23 0.00 0.00 66.70 64.79 1smj h VAL 178 Cb 1.21 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 31.64 1smj h VAL 178 CO 0.10 0.12 -0.33 0.03 -1.23 0.00 0.00 177.57 176.26 1smj h ARG 179 N 0.00 0.87 -0.30 5.19 3.08 -1.43 0.32 114.38 122.11 1smj h ARG 179 Ca -0.00 -0.45 -0.10 0.00 0.07 0.00 0.00 59.98 59.51 1smj h ARG 179 Cb 0.27 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1smj h ARG 179 CO 0.02 1.09 -0.19 0.00 -1.07 0.00 0.00 179.97 179.82 1smj h ALA 180 N 0.76 0.43 -0.71 0.04 0.00 -0.72 0.81 119.26 119.88 1smj h ALA 180 Ca 0.06 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1smj h ALA 180 Cb 0.91 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1smj h ALA 180 CO 0.08 0.36 0.26 -0.07 0.00 0.00 0.00 179.25 179.88 1smj h LEU 181 N 0.41 1.01 -0.92 0.00 3.38 -0.62 -1.49 115.31 117.07 1smj h LEU 181 Ca 0.06 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1smj h LEU 181 Cb 0.73 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1smj h LEU 181 CO 0.05 0.92 0.04 -0.78 0.09 0.00 0.00 178.44 178.77 1smj h ASP 182 N 1.03 0.79 -0.46 -0.43 3.58 0.25 -1.05 116.42 120.13 1smj h ASP 182 Ca 0.23 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1smj h ASP 182 Cb 0.25 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1smj h ASP 182 CO -0.01 0.83 0.28 -0.08 -2.88 0.00 0.00 179.24 177.38 1smj h GLU 183 N 0.78 0.62 0.53 0.28 4.57 0.66 -2.10 114.58 119.92 1smj h GLU 183 Ca 0.16 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1smj h GLU 183 Cb 0.41 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1smj h GLU 183 CO 0.01 0.46 -0.40 0.00 -1.18 0.00 0.00 179.01 177.90 1smj h ALA 184 N 1.13 -1.14 -0.56 2.92 0.00 -0.17 0.87 119.26 122.31 1smj h ALA 184 Ca 0.16 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1smj h ALA 184 Cb -0.01 0.57 -0.11 0.00 0.00 0.00 0.00 17.79 18.24 1smj h ALA 184 CO -0.03 -1.14 -0.27 1.98 0.00 0.00 0.00 179.25 179.79 1smj h MET 185 N -0.90 -0.13 -0.98 0.00 1.85 -1.31 -0.56 114.93 112.91 1smj h MET 185 Ca -0.07 0.01 0.30 0.00 -0.61 0.00 0.00 59.70 59.33 1smj h MET 185 Cb 0.74 0.03 -0.15 0.00 0.43 0.00 0.00 31.60 32.65 1smj h MET 185 CO 0.02 -0.08 0.50 -0.91 -0.40 0.00 0.00 176.91 176.03 1smj h ASN 186 N -0.13 0.41 -0.25 1.39 2.35 -0.76 -2.60 115.58 116.00 1smj h ASN 186 Ca 0.24 0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 56.14 1smj h ASN 186 Cb 0.52 0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1smj h ASN 186 CO -0.63 -0.13 0.03 0.11 -1.65 0.00 0.00 177.43 175.16 1smj h LYS 187 N 0.32 0.52 -0.28 0.81 1.57 0.85 -1.51 116.57 118.83 1smj h LYS 187 Ca 0.69 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 59.45 1smj h LYS 187 Cb 1.52 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 1smj h LYS 187 CO -0.61 0.52 0.46 -0.07 -0.57 0.00 0.00 179.45 179.18 1smj h LEU 188 N 0.50 0.00 -2.08 2.94 3.38 -1.54 -2.76 115.31 115.75 1smj h LEU 188 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1smj h LEU 188 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1smj h LEU 188 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1smj n GLN 189 N -3.35 1.68 -3.09 1.13 6.02 -0.57 -5.01 117.38 114.19 1smj n GLN 189 Ca 0.04 -1.65 -0.43 0.00 -0.01 0.00 0.00 57.00 54.96 1smj n GLN 189 Cb 0.59 -1.28 -0.07 0.00 1.02 0.00 0.00 30.24 30.50 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 -1.06 3.33 0.32 -1.09 0.52 -1.05 -4.92 118.95 115.00 1smj s ARG 190 Ca 0.20 -0.30 0.04 0.00 -0.52 0.00 0.00 55.73 55.15 1smj s ARG 190 Cb 0.12 -3.94 0.84 0.00 0.52 0.00 0.00 34.95 32.49 1smj s ARG 190 CO 0.17 -1.01 1.57 0.00 0.02 0.00 0.00 175.30 176.06 1smj h ALA 191 N 8.86 1.31 -2.30 2.13 0.00 -1.95 -3.36 119.26 123.96 1smj h ALA 191 Ca -0.25 0.33 -0.49 0.00 0.00 0.00 0.00 54.91 54.49 1smj h ALA 191 Cb 1.10 0.55 -0.35 0.00 0.00 0.00 0.00 17.79 19.08 1smj h ALA 191 CO 0.90 -0.62 -0.78 -0.80 0.00 0.00 0.00 179.25 177.94 1smj s ASN 192 N -4.95 2.15 0.00 0.00 0.01 -1.26 -5.09 114.94 105.80 1smj s ASN 192 Ca -0.12 -1.96 0.00 0.00 -0.71 0.00 0.00 52.86 50.07 1smj s ASN 192 Cb 0.30 0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.97 1smj s ASN 192 CO 0.78 -0.28 0.00 -2.65 -1.51 0.00 0.00 177.10 173.44 1smj n PRO 193 N 4.08 0.00 0.00 -0.60 -0.02 -1.26 -1.96 135.00 135.25 1smj n PRO 193 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1smj n PRO 193 Cb 0.41 -0.30 0.00 0.00 -0.02 0.00 0.00 33.50 33.58 1smj n PRO 193 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1smj n ASP 194 N 0.00 0.00 -4.51 2.55 8.00 -1.26 -4.63 116.55 116.70 1smj n ASP 194 Ca 0.00 0.00 -0.56 0.00 0.71 0.00 0.00 54.79 54.94 1smj n ASP 194 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.04 1.90 -0.29 -2.24 -0.08 -0.83 -4.87 116.55 109.10 1smj n ASP 195 Ca 0.00 0.74 0.26 0.00 -1.51 0.00 0.00 54.79 54.28 1smj n ASP 195 Cb 0.00 -1.13 0.44 0.00 2.34 0.00 0.00 41.12 42.78 1smj n ASP 195 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1smj n PRO 196 N 6.88 -0.03 0.03 -0.67 -0.02 -1.26 0.79 135.00 140.71 1smj n PRO 196 Ca 0.38 0.86 0.22 0.00 -2.02 0.00 0.00 63.50 62.95 1smj n PRO 196 Cb 0.12 -1.66 0.72 0.00 -0.02 0.00 0.00 33.50 32.66 1smj n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1smj h ALA 197 N 1.14 2.30 -0.34 3.55 0.00 -1.91 0.12 119.26 124.12 1smj h ALA 197 Ca 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1smj h ALA 197 Cb 1.81 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1smj h ALA 197 CO -0.37 -0.78 0.00 0.66 0.00 0.00 0.00 179.25 178.76 1smj n TYR 198 N -3.82 0.44 0.02 0.00 4.01 0.24 -4.49 117.16 113.56 1smj n TYR 198 Ca 0.10 -0.22 -0.13 0.00 -0.16 0.00 0.00 57.90 57.49 1smj n TYR 198 Cb 0.72 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.66 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 3.81 -0.03 -1.04 7.72 3.32 -0.82 -1.75 116.42 127.62 1smj h ASP 199 Ca 0.00 -0.29 0.27 0.00 0.02 0.00 0.00 57.03 57.03 1smj h ASP 199 Cb 0.84 0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.29 1smj h ASP 199 CO 0.00 0.27 0.64 -0.33 -1.72 0.00 0.00 179.24 178.10 1smj h GLU 200 N -0.34 0.44 -0.01 3.56 3.07 -1.79 -2.54 114.58 116.97 1smj h GLU 200 Ca -0.00 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1smj h GLU 200 Cb 0.32 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1smj h GLU 200 CO 0.01 0.29 -0.10 -0.91 -1.40 0.00 0.00 179.01 176.90 1smj h ASN 201 N 0.45 0.11 -0.93 1.42 -0.26 -1.71 -1.43 115.58 113.23 1smj h ASN 201 Ca 0.64 -0.69 0.23 0.00 -0.56 0.00 0.00 56.30 55.91 1smj h ASN 201 Cb 1.46 -0.03 -0.12 0.00 -1.06 0.00 0.00 38.32 38.56 1smj h ASN 201 CO -0.40 0.79 0.47 0.11 -1.06 0.00 0.00 177.43 177.33 1smj h LYS 202 N -0.56 0.46 -0.20 0.81 1.57 -1.22 -0.15 116.57 117.27 1smj h LYS 202 Ca -0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1smj h LYS 202 Cb 0.79 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1smj h LYS 202 CO 0.02 0.30 -0.06 -0.09 -0.57 0.00 0.00 179.45 179.06 1smj h ARG 203 N 0.47 0.39 0.00 3.15 2.43 -1.41 -2.88 114.38 116.53 1smj h ARG 203 Ca 0.59 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1smj h ARG 203 Cb 1.11 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1smj h ARG 203 CO -0.50 0.65 0.00 0.94 -1.51 0.00 0.00 179.97 179.55 1smj n GLN 204 N -4.61 0.16 -0.05 0.20 -0.06 -0.54 -2.18 117.38 110.30 1smj n GLN 204 Ca -0.05 0.36 -0.12 0.00 -2.00 0.00 0.00 57.00 55.20 1smj n GLN 204 Cb 0.29 -1.79 -0.11 0.00 -4.06 0.00 0.00 30.24 24.57 1smj n GLN 204 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 1smj h PHE 205 N 0.00 -0.02 -0.19 3.69 3.57 -0.86 -2.50 116.94 120.62 1smj h PHE 205 Ca 0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1smj h PHE 205 Cb 0.38 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1smj h PHE 205 CO 0.00 0.73 -0.17 1.96 -2.23 0.00 0.00 178.31 178.61 1smj h GLN 206 N -0.92 0.33 -0.20 1.11 1.08 -1.26 0.63 115.11 115.87 1smj h GLN 206 Ca -0.00 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 1smj h GLN 206 Cb 0.77 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 1smj h GLN 206 CO 0.00 0.49 0.01 1.49 -0.95 0.00 0.00 178.83 179.87 1smj h GLU 207 N 0.30 0.35 -0.57 1.46 4.81 -1.58 0.12 114.58 119.47 1smj h GLU 207 Ca 0.06 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1smj h GLU 207 Cb 0.48 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1smj h GLU 207 CO 0.03 0.54 0.27 -0.44 -0.73 0.00 0.00 179.01 178.68 1smj h ASP 208 N 0.11 0.75 0.01 1.04 3.32 -0.79 -2.17 116.42 118.69 1smj h ASP 208 Ca 0.06 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1smj h ASP 208 Cb 0.38 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1smj h ASP 208 CO 0.01 0.68 -0.00 0.40 -1.72 0.00 0.00 179.24 178.60 1smj h ILE 209 N 0.77 1.07 -0.71 0.35 2.04 -0.47 -2.45 117.51 118.11 1smj h ILE 209 Ca 0.20 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1smj h ILE 209 Cb 0.13 1.22 -0.11 0.00 -0.74 0.00 0.00 36.82 37.31 1smj h ILE 209 CO -0.02 0.06 -0.48 0.11 0.00 0.00 0.00 178.15 177.81 1smj h LYS 210 N -0.10 -0.16 -0.52 2.37 1.79 -0.77 0.13 116.57 119.31 1smj h LYS 210 Ca -0.00 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.55 1smj h LYS 210 Cb 0.10 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.73 1smj h LYS 210 CO 0.00 -0.11 0.19 0.28 -1.08 0.00 0.00 179.45 178.73 1smj h VAL 211 N -0.17 0.82 -0.86 0.50 2.07 -1.17 0.53 116.25 117.98 1smj h VAL 211 Ca 0.18 -0.13 0.15 0.00 0.82 0.00 0.00 66.70 67.73 1smj h VAL 211 Cb 0.54 0.42 -0.10 0.00 -1.52 0.00 0.00 31.29 30.63 1smj h VAL 211 CO -0.78 0.07 0.44 0.24 0.02 0.00 0.00 177.57 177.56 1smj h MET 212 N 0.37 0.60 0.00 1.57 2.86 -0.86 -2.22 114.93 117.25 1smj h MET 212 Ca 0.25 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.68 1smj h MET 212 Cb 0.27 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1smj h MET 212 CO -0.25 0.40 -0.92 -0.91 1.06 0.00 0.00 176.91 176.28 1smj h ASN 213 N 0.62 0.00 0.54 1.22 2.35 0.19 -1.40 115.58 119.09 1smj h ASN 213 Ca 0.47 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.20 1smj h ASN 213 Cb 0.69 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.05 1smj h ASN 213 CO -0.37 0.80 -0.09 0.44 -1.65 0.00 0.00 177.43 176.55 1smj h ASP 214 N 0.00 0.00 0.09 5.81 3.32 -0.29 -2.70 116.42 122.65 1smj h ASP 214 Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1smj h ASP 214 Cb 1.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.20 1smj h ASP 214 CO 0.10 0.09 -0.04 0.25 -1.72 0.00 0.00 179.24 177.92 1smj h LEU 215 N 0.00 -0.10 -1.36 1.55 5.85 -0.64 -2.52 115.31 118.09 1smj h LEU 215 Ca -0.00 0.00 0.43 0.00 0.84 0.00 0.00 57.88 59.16 1smj h LEU 215 Cb 0.39 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.35 1smj h LEU 215 CO 0.01 0.15 0.92 0.52 -0.34 0.00 0.00 178.44 179.70 1smj n VAL 216 N -3.57 -0.13 -0.03 1.05 0.31 -1.10 0.25 118.33 115.11 1smj n VAL 216 Ca -0.02 1.42 -0.15 0.00 -0.01 0.00 0.00 64.34 65.59 1smj n VAL 216 Cb 0.05 -2.34 -0.10 0.00 -0.91 0.00 0.00 33.84 30.53 1smj n VAL 216 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1smj h ASP 217 N 0.00 0.25 -0.88 4.52 5.19 -1.33 0.15 116.42 124.32 1smj h ASP 217 Ca 0.76 -0.68 0.21 0.00 -0.62 0.00 0.00 57.03 56.70 1smj h ASP 217 Cb 2.70 -0.08 -0.12 0.00 0.18 0.00 0.00 39.33 42.01 1smj h ASP 217 CO -0.25 0.90 0.37 0.11 -3.12 0.00 0.00 179.24 177.25 1smj h LYS 218 N -0.37 0.38 0.08 3.56 1.79 0.24 -0.23 116.57 122.01 1smj h LYS 218 Ca -0.02 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1smj h LYS 218 Cb 0.90 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1smj h LYS 218 CO 0.05 0.25 -0.04 0.82 -1.08 0.00 0.00 179.45 179.45 1smj h ILE 219 N 0.39 1.18 -0.34 1.86 2.04 -0.36 -2.55 117.51 119.73 1smj h ILE 219 Ca 0.55 -1.37 0.06 0.00 1.00 0.00 0.00 64.86 65.10 1smj h ILE 219 Cb 1.02 2.01 -0.08 0.00 -0.74 0.00 0.00 36.82 39.03 1smj h ILE 219 CO -0.53 0.32 -0.43 0.40 0.00 0.00 0.00 178.15 177.91 1smj h ILE 220 N -0.78 0.12 -0.49 -0.67 2.04 -0.74 -2.38 117.51 114.60 1smj h ILE 220 Ca -0.01 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.99 1smj h ILE 220 Cb 0.60 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1smj h ILE 220 CO 0.02 0.00 0.55 0.00 0.00 0.00 0.00 178.15 178.72 1smj h ALA 221 N 0.33 2.22 0.00 1.87 0.00 -1.00 -1.42 119.26 121.26 1smj h ALA 221 Ca 0.12 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1smj h ALA 221 Cb 0.59 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1smj h ALA 221 CO -0.53 -0.80 -2.13 -3.47 0.00 0.00 0.00 179.25 172.32 1smj n ASP 222 N -3.64 0.11 -0.04 0.00 2.03 -0.97 -3.17 116.55 110.88 1smj n ASP 222 Ca 0.09 0.05 -0.14 0.00 0.52 0.00 0.00 54.79 55.31 1smj n ASP 222 Cb 0.74 1.25 -0.08 0.00 -0.72 0.00 0.00 41.12 42.31 1smj n ASP 222 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1smj h ARG 223 N 0.00 0.33 0.00 -0.67 9.65 -0.78 -3.09 114.38 119.82 1smj h ARG 223 Ca -0.30 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 1smj h ARG 223 Cb 1.72 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.33 1smj h ARG 223 CO 0.02 0.82 0.00 1.63 2.80 0.00 0.00 179.97 185.24 1smj n LYS 224 N -4.51 0.15 -2.93 0.20 4.76 -0.81 -2.22 118.16 112.80 1smj n LYS 224 Ca -0.07 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.24 1smj n LYS 224 Cb 0.43 -1.37 0.03 0.00 -1.84 0.00 0.00 35.03 32.28 1smj n LYS 224 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1smj n ALA 225 N -0.87 1.04 -2.45 7.82 0.00 -1.17 -5.09 120.51 119.80 1smj n ALA 225 Ca 0.03 -2.49 -0.13 0.00 0.00 0.00 0.00 53.44 50.84 1smj n ALA 225 Cb 0.01 -1.02 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.97 1.28 -1.11 0.00 1.04 -0.94 -4.95 113.70 107.06 1smj s SER 226 Ca 0.31 -0.83 -0.20 0.00 0.48 0.00 0.00 55.95 55.71 1smj s SER 226 Cb 0.34 0.04 0.08 0.00 0.10 0.00 0.00 66.02 66.58 1smj s SER 226 CO -0.06 -0.31 1.48 -0.83 0.98 0.00 0.00 173.24 174.51 1smj s GLY 227 N -2.50 1.59 0.00 7.32 0.00 -1.26 -4.93 107.32 107.54 1smj s GLY 227 Ca 0.05 -2.64 0.00 0.00 0.00 0.00 0.00 44.72 42.13 1smj s GLY 227 CO -0.01 2.54 0.00 -1.84 0.00 0.00 0.00 173.10 173.78 1smj n GLU 228 N 8.07 0.00 -3.13 2.90 0.28 -1.26 -4.92 120.64 122.59 1smj n GLU 228 Ca 0.37 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 57.21 1smj n GLU 228 Cb 0.48 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.40 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 -4.87 -3.51 3.44 1.13 -1.26 -5.02 117.38 107.30 1smj n GLN 229 Ca 0.00 0.56 -0.37 0.00 -1.94 0.00 0.00 57.00 55.25 1smj n GLN 229 Cb 0.00 -4.77 -0.06 0.00 0.11 0.00 0.00 30.24 25.52 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 -3.12 6.77 -0.37 1.08 0.01 -1.26 -5.02 113.70 111.79 1smj s SER 230 Ca 0.35 0.93 0.01 0.00 1.31 0.00 0.00 55.95 58.56 1smj s SER 230 Cb -0.15 -2.24 0.40 0.00 0.21 0.00 0.00 66.02 64.24 1smj s SER 230 CO 0.43 0.27 1.79 -0.67 0.41 0.00 0.00 173.24 175.48 1smj n ASP 231 N 1.52 4.92 -2.45 2.44 2.03 -1.26 -4.68 116.55 119.07 1smj n ASP 231 Ca -0.12 -3.20 -0.05 0.00 0.52 0.00 0.00 54.79 51.94 1smj n ASP 231 Cb 0.52 -0.85 0.03 0.00 -0.72 0.00 0.00 41.12 40.10 1smj n ASP 231 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1smj n ASP 232 N -0.44 0.19 -0.06 1.67 5.68 -1.26 -4.81 116.55 117.52 1smj n ASP 232 Ca 0.42 -1.18 0.25 0.00 -0.50 0.00 0.00 54.79 53.78 1smj n ASP 232 Cb 1.02 -0.14 0.72 0.00 -1.14 0.00 0.00 41.12 41.58 1smj n ASP 232 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1smj h LEU 233 N 0.00 0.00 0.00 -2.12 6.46 -1.73 -3.13 115.31 114.79 1smj h LEU 233 Ca -0.07 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1smj h LEU 233 Cb 0.23 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1smj h LEU 233 CO 0.06 0.00 -0.08 0.25 -0.62 0.00 0.00 178.44 178.05 1smj h LEU 234 N 0.00 0.00 -0.89 2.25 5.85 -1.87 -2.79 115.31 117.86 1smj h LEU 234 Ca 0.33 -0.35 0.24 0.00 0.84 0.00 0.00 57.88 58.95 1smj h LEU 234 Cb 1.52 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.41 1smj h LEU 234 CO -0.00 0.72 0.24 0.71 -0.34 0.00 0.00 178.44 179.77 1smj h THR 235 N -1.00 0.30 0.00 1.05 1.35 -1.83 0.93 112.91 113.71 1smj h THR 235 Ca -0.01 -0.07 -0.03 0.00 -0.55 0.00 0.00 66.41 65.75 1smj h THR 235 Cb 0.41 0.08 -0.00 0.00 -1.73 0.00 0.00 68.15 66.90 1smj h THR 235 CO -0.01 0.04 -0.14 0.45 -0.25 0.00 0.00 175.52 175.61 1smj h HIS 236 N 0.20 0.00 0.00 4.73 3.86 -1.59 0.66 115.15 123.01 1smj h HIS 236 Ca 0.56 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.77 1smj h HIS 236 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1smj h HIS 236 CO -0.26 0.14 -0.01 0.52 0.86 0.00 0.00 177.93 179.18 1smj h MET 237 N 0.00 0.00 -0.09 2.45 2.07 0.98 -2.61 114.93 117.73 1smj h MET 237 Ca -0.00 -0.01 0.04 0.00 -2.07 0.00 0.00 59.70 57.66 1smj h MET 237 Cb 0.36 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.05 1smj h MET 237 CO 0.02 0.88 -0.15 -0.07 1.07 0.00 0.00 176.91 178.66 1smj h LEU 238 N -0.87 -0.47 0.08 1.22 3.38 -0.27 -3.36 115.31 115.03 1smj h LEU 238 Ca -0.00 0.08 -0.35 0.00 0.09 0.00 0.00 57.88 57.70 1smj h LEU 238 Cb 0.89 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1smj h LEU 238 CO 0.00 -0.20 -1.96 0.59 0.09 0.00 0.00 178.44 176.96 1smj n ASN 239 N -5.29 2.06 -4.61 -0.43 4.13 0.20 -4.77 115.26 106.55 1smj n ASN 239 Ca -0.04 0.20 -0.46 0.00 1.68 0.00 0.00 54.58 55.97 1smj n ASN 239 Cb 0.21 -0.82 -0.02 0.00 -1.54 0.00 0.00 39.78 37.60 1smj n ASN 239 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1smj n GLY 240 N 1.91 0.07 3.17 7.41 0.00 -0.98 -4.78 105.19 111.99 1smj n GLY 240 Ca -0.35 0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.01 3.08 -0.25 1.61 1.02 -1.26 -3.83 119.74 119.10 1smj s LYS 241 Ca 0.65 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 55.56 1smj s LYS 241 Cb -0.73 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 1smj s LYS 241 CO 0.56 -0.22 1.81 0.34 -0.92 0.00 0.00 175.35 176.92 1smj s ASP 242 N 1.34 6.03 0.24 2.83 2.15 0.41 -4.74 116.67 124.93 1smj s ASP 242 Ca 0.05 1.57 -0.08 0.00 0.43 0.00 0.00 52.55 54.53 1smj s ASP 242 Cb -0.14 -2.53 0.42 0.00 -0.30 0.00 0.00 42.92 40.38 1smj s ASP 242 CO -0.10 -1.55 1.63 -0.65 -0.17 0.00 0.00 175.17 174.33 1smj h PRO 243 N 12.31 0.08 0.00 4.34 0.11 -1.90 5.13 132.00 152.06 1smj h PRO 243 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1smj h PRO 243 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1smj h PRO 243 CO 1.01 0.05 0.04 1.49 -0.21 0.00 0.00 178.00 180.37 1smj h GLU 244 N 0.08 0.00 0.00 1.05 4.81 -1.97 -3.17 114.58 115.38 1smj h GLU 244 Ca 0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1smj h GLU 244 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1smj h GLU 244 CO -0.69 0.00 -0.07 0.25 -0.73 0.00 0.00 179.01 177.77 1smj n THR 245 N -2.90 0.00 0.00 0.32 -2.24 0.68 -5.02 114.28 105.13 1smj n THR 245 Ca -0.03 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1smj n THR 245 Cb 0.10 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.78 1.64 3.73 3.38 0.00 1.65 -4.95 105.19 111.42 1smj n GLY 246 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 1.83 0.00 1.61 0.41 -1.25 -4.35 118.70 116.95 1smj s GLU 247 Ca 0.00 1.32 0.00 0.00 -0.41 0.00 0.00 54.97 55.88 1smj s GLU 247 Cb 0.00 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.51 1smj s GLU 247 CO 0.00 -1.99 0.00 -0.35 -0.49 0.00 0.00 175.26 172.43 1smj n PRO 248 N -3.72 2.68 -3.26 0.39 -0.04 -1.25 0.15 135.00 129.95 1smj n PRO 248 Ca 0.10 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.18 1smj n PRO 248 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 4.47 0.74 1.53 1.43 -1.25 -4.78 118.68 120.83 1smj s LEU 249 Ca 0.00 1.19 -0.14 0.00 -1.03 0.00 0.00 54.13 54.15 1smj s LEU 249 Cb 0.00 -2.88 0.05 0.00 0.03 0.00 0.00 46.19 43.39 1smj s LEU 249 CO 0.00 0.20 1.16 1.51 0.23 0.00 0.00 176.35 179.45 1smj s ASP 250 N -0.66 4.27 0.25 2.29 1.47 -1.26 -4.80 116.67 118.22 1smj s ASP 250 Ca 0.29 2.20 0.06 0.00 1.18 0.00 0.00 52.55 56.28 1smj s ASP 250 Cb -0.19 -2.57 0.29 0.00 -0.34 0.00 0.00 42.92 40.11 1smj s ASP 250 CO 0.18 -2.20 1.58 0.44 0.68 0.00 0.00 175.17 175.84 1smj h ASP 251 N -0.50 0.19 -0.87 2.11 3.32 -1.99 0.19 116.42 118.87 1smj h ASP 251 Ca -0.46 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 56.52 1smj h ASP 251 Cb 1.27 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.71 1smj h ASP 251 CO 0.50 0.75 0.55 -0.08 -1.72 0.00 0.00 179.24 179.24 1smj h GLU 252 N 0.13 1.00 0.01 3.56 4.81 -2.00 -2.44 114.58 119.64 1smj h GLU 252 Ca -0.01 -0.06 -0.26 0.00 -0.13 0.00 0.00 59.36 58.91 1smj h GLU 252 Cb 1.10 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 1smj h GLU 252 CO 0.09 0.66 -1.36 -0.97 -0.73 0.00 0.00 179.01 176.70 1smj h ASN 253 N 1.03 0.04 -0.50 1.04 -0.73 -1.11 -3.06 115.58 112.29 1smj h ASN 253 Ca 0.36 -0.06 0.06 0.00 1.87 0.00 0.00 56.30 58.53 1smj h ASN 253 Cb 0.09 -0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.62 1smj h ASN 253 CO -0.15 1.05 0.22 0.40 -0.37 0.00 0.00 177.43 178.58 1smj h ILE 254 N 0.01 0.89 0.08 2.57 2.04 -0.85 0.52 117.51 122.76 1smj h ILE 254 Ca -0.15 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1smj h ILE 254 Cb 1.90 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 1smj h ILE 254 CO 0.11 0.08 -0.26 -0.09 0.00 0.00 0.00 178.15 177.99 1smj h ARG 255 N 0.42 -0.43 -0.75 2.37 1.12 -1.47 0.36 114.38 116.01 1smj h ARG 255 Ca 0.23 0.03 0.11 0.00 -1.11 0.00 0.00 59.98 59.24 1smj h ARG 255 Cb 0.20 0.10 -0.05 0.00 -0.01 0.00 0.00 29.97 30.21 1smj h ARG 255 CO -0.20 -0.28 0.49 1.88 -3.11 0.00 0.00 179.97 178.74 1smj h TYR 256 N -0.44 0.66 0.66 2.20 0.05 -1.21 -2.22 116.97 116.66 1smj h TYR 256 Ca 0.04 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 1smj h TYR 256 Cb 0.49 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1smj h TYR 256 CO -0.26 0.30 -0.36 1.96 -1.05 0.00 0.00 178.16 178.75 1smj h GLN 257 N 0.61 -0.91 -0.53 4.88 1.08 0.20 -2.50 115.11 117.93 1smj h GLN 257 Ca 0.35 0.06 0.05 0.00 -1.45 0.00 0.00 58.65 57.66 1smj h GLN 257 Cb 0.54 0.21 -0.06 0.00 -0.05 0.00 0.00 27.48 28.11 1smj h GLN 257 CO -0.13 -0.61 -0.32 -0.89 -0.95 0.00 0.00 178.83 175.94 1smj n ILE 258 N -4.70 -0.36 -0.31 2.54 5.41 -0.23 -0.13 119.36 121.57 1smj n ILE 258 Ca -0.12 1.91 -0.08 0.00 1.00 0.00 0.00 62.75 65.46 1smj n ILE 258 Cb 0.38 -2.42 -0.07 0.00 -0.71 0.00 0.00 39.64 36.82 1smj n ILE 258 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1smj n ILE 259 N -4.21 -0.50 -0.35 1.39 5.41 -0.91 -0.24 119.36 119.95 1smj n ILE 259 Ca 0.01 2.01 0.09 0.00 1.00 0.00 0.00 62.75 65.86 1smj n ILE 259 Cb 0.14 -2.51 0.27 0.00 -0.71 0.00 0.00 39.64 36.82 1smj n ILE 259 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1smj h THR 260 N 0.00 0.88 0.00 1.39 2.02 -0.05 0.48 112.91 117.64 1smj h THR 260 Ca 0.12 -0.32 -0.18 0.00 0.77 0.00 0.00 66.41 66.79 1smj h THR 260 Cb 0.30 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 1smj h THR 260 CO -0.69 0.17 -0.85 -0.26 0.37 0.00 0.00 175.52 174.26 1smj h PHE 261 N 0.93 0.15 -0.20 3.16 -1.00 0.96 0.30 116.94 121.25 1smj h PHE 261 Ca 0.50 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 61.19 1smj h PHE 261 Cb 0.57 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 1smj h PHE 261 CO -0.00 0.90 0.10 -0.07 -1.61 0.00 0.00 178.31 177.62 1smj h LEU 262 N 0.06 0.25 0.00 1.54 3.38 0.15 -2.40 115.31 118.29 1smj h LEU 262 Ca -0.03 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1smj h LEU 262 Cb 1.47 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1smj h LEU 262 CO 0.12 0.29 -0.04 0.40 0.09 0.00 0.00 178.44 179.31 1smj h ILE 263 N 0.19 0.00 0.00 1.22 2.04 -0.09 -3.38 117.51 117.49 1smj h ILE 263 Ca 0.07 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1smj h ILE 263 Cb 0.10 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1smj h ILE 263 CO -0.01 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.35 1smj n GLU 264 N -3.13 0.18 -0.70 2.37 4.07 0.09 -1.79 120.64 121.74 1smj n GLU 264 Ca -0.01 0.42 0.06 0.00 -0.06 0.00 0.00 57.16 57.58 1smj n GLU 264 Cb 0.02 -1.86 0.33 0.00 -0.06 0.00 0.00 31.44 29.87 1smj n GLU 264 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1smj n GLY 265 N -0.06 2.63 0.00 8.31 0.00 -0.90 -4.23 105.19 110.94 1smj n GLY 265 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.63 0.00 0.32 1.61 1.44 -1.14 -4.55 115.22 113.53 1smj n HIS 266 Ca 0.23 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.81 1smj n HIS 266 Cb 0.98 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 31.02 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 -0.82 -0.57 -1.40 4.57 -1.52 -2.17 114.58 112.66 1smj h GLU 267 Ca 0.00 0.06 0.15 0.00 -1.18 0.00 0.00 59.36 58.39 1smj h GLU 267 Cb 0.00 0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1smj h GLU 267 CO 0.00 -0.55 0.40 1.79 -1.18 0.00 0.00 179.01 179.47 1smj h THR 268 N -1.16 0.75 0.01 0.32 1.35 -1.84 -0.97 112.91 111.37 1smj h THR 268 Ca -0.09 -0.03 -0.26 0.00 -0.55 0.00 0.00 66.41 65.48 1smj h THR 268 Cb 0.66 0.66 0.02 0.00 -1.73 0.00 0.00 68.15 67.76 1smj h THR 268 CO 0.14 0.01 -1.02 0.74 -0.25 0.00 0.00 175.52 175.15 1smj h THR 269 N 0.08 1.29 -0.37 6.82 2.02 -1.86 -2.79 112.91 118.11 1smj h THR 269 Ca 0.27 -2.24 -0.15 0.00 0.77 0.00 0.00 66.41 65.06 1smj h THR 269 Cb 0.97 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 1smj h THR 269 CO -0.02 0.69 -0.35 0.77 0.37 0.00 0.00 175.52 176.98 1smj h SER 270 N 0.35 0.89 0.00 4.18 4.64 -0.84 -0.93 113.55 121.84 1smj h SER 270 Ca -0.13 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1smj h SER 270 Cb 1.68 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1smj h SER 270 CO 0.20 1.15 0.41 1.23 -0.87 0.00 0.00 176.83 178.95 1smj h GLY 271 N 0.88 0.00 0.00 -0.77 0.00 -1.20 0.56 103.07 102.54 1smj h GLY 271 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.21 1smj h GLY 271 CO 0.08 0.00 -1.50 -0.10 0.00 0.00 0.00 176.54 175.03 1smj n LEU 272 N -2.69 1.92 0.16 3.11 7.94 -0.47 -2.97 117.00 123.99 1smj n LEU 272 Ca -0.02 0.39 0.17 0.00 -1.11 0.00 0.00 56.01 55.44 1smj n LEU 272 Cb 0.45 -0.81 0.77 0.00 0.53 0.00 0.00 43.42 44.35 1smj n LEU 272 CO 0.10 0.06 1.15 -0.07 -1.11 0.00 0.00 177.39 177.52 1smj h LEU 273 N -1.00 0.00 0.11 -1.96 3.38 -1.02 0.25 115.31 115.06 1smj h LEU 273 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1smj h LEU 273 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1smj h LEU 273 CO -0.17 0.00 -0.05 0.28 0.09 0.00 0.00 178.44 178.58 1smj h SER 274 N 0.00 -0.13 -0.86 -0.43 0.02 -0.97 -2.26 113.55 108.91 1smj h SER 274 Ca 0.12 0.00 0.35 0.00 -0.84 0.00 0.00 61.79 61.42 1smj h SER 274 Cb 0.57 0.03 -0.16 0.00 0.14 0.00 0.00 62.40 62.99 1smj h SER 274 CO -0.00 -0.05 0.41 0.49 -1.14 0.00 0.00 176.83 176.54 1smj n PHE 275 N -2.64 0.95 0.45 3.45 3.72 -1.16 -1.48 117.46 120.75 1smj n PHE 275 Ca -0.02 1.02 -0.18 0.00 -0.05 0.00 0.00 57.45 58.23 1smj n PHE 275 Cb 0.06 -1.40 -0.08 0.00 -0.94 0.00 0.00 39.48 37.12 1smj n PHE 275 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1smj h ALA 276 N 1.73 -1.24 -1.34 4.37 0.00 -0.03 -0.85 119.26 121.90 1smj h ALA 276 Ca 0.71 -0.25 0.45 0.00 0.00 0.00 0.00 54.91 55.82 1smj h ALA 276 Cb 1.84 0.45 -0.13 0.00 0.00 0.00 0.00 17.79 19.95 1smj h ALA 276 CO -0.68 -1.16 0.87 -0.11 0.00 0.00 0.00 179.25 178.17 1smj n LEU 277 N -5.28 0.18 -0.08 0.00 7.94 -0.87 0.97 117.00 119.85 1smj n LEU 277 Ca -0.14 1.27 -0.13 0.00 -1.11 0.00 0.00 56.01 55.89 1smj n LEU 277 Cb 0.46 -0.62 -0.05 0.00 0.53 0.00 0.00 43.42 43.73 1smj n LEU 277 CO 0.35 -1.37 0.60 0.22 -1.11 0.00 0.00 177.39 176.08 1smj h TYR 278 N 0.00 0.68 0.11 1.96 3.20 -0.04 -0.69 116.97 122.18 1smj h TYR 278 Ca 0.83 -0.20 -0.28 0.00 3.14 0.00 0.00 58.73 62.23 1smj h TYR 278 Cb 2.73 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 40.85 1smj h TYR 278 CO -0.01 0.88 -1.31 0.74 -1.64 0.00 0.00 178.16 176.83 1smj h PHE 279 N 0.29 0.41 -0.18 -3.82 0.04 0.12 -2.06 116.94 111.73 1smj h PHE 279 Ca 0.04 -0.30 0.02 0.00 2.80 0.00 0.00 57.97 60.54 1smj h PHE 279 Cb 0.75 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 1smj h PHE 279 CO 0.07 1.27 -0.21 -0.07 -0.60 0.00 0.00 178.31 178.77 1smj h LEU 280 N 0.06 -0.72 -0.12 1.54 3.38 -0.52 0.19 115.31 119.13 1smj h LEU 280 Ca -0.16 0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1smj h LEU 280 Cb 1.96 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 42.94 1smj h LEU 280 CO 0.18 -0.14 -0.47 0.58 0.09 0.00 0.00 178.44 178.67 1smj h VAL 281 N -0.13 0.08 0.00 1.22 2.07 -0.47 0.88 116.25 119.90 1smj h VAL 281 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1smj h VAL 281 Cb 0.22 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1smj h VAL 281 CO -0.24 0.00 0.08 0.29 0.02 0.00 0.00 177.57 177.72 1smj n LYS 282 N -5.44 0.06 -3.59 1.57 4.76 -0.85 -4.29 118.16 110.39 1smj n LYS 282 Ca -0.05 0.53 -0.27 0.00 -2.87 0.00 0.00 58.31 55.65 1smj n LYS 282 Cb 0.37 -1.79 -0.10 0.00 -1.84 0.00 0.00 35.03 31.68 1smj n LYS 282 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1smj n ASN 283 N -1.82 2.31 0.25 4.39 3.02 0.31 -4.97 115.26 118.74 1smj n ASN 283 Ca -0.01 -3.08 0.17 0.00 -0.03 0.00 0.00 54.58 51.64 1smj n ASN 283 Cb 0.09 -0.68 0.80 0.00 -0.61 0.00 0.00 39.78 39.38 1smj n ASN 283 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1smj h PRO 284 N 4.91 0.00 0.01 3.52 0.11 -1.74 0.80 132.00 139.61 1smj h PRO 284 Ca 0.18 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.95 1smj h PRO 284 Cb 0.77 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.82 1smj h PRO 284 CO 0.66 0.00 -2.04 0.72 -0.21 0.00 0.00 178.00 177.13 1smj n HIS 285 N -2.79 0.60 0.12 0.65 8.25 -1.26 -1.61 115.22 119.18 1smj n HIS 285 Ca -0.01 0.20 -0.14 0.00 -0.26 0.00 0.00 57.72 57.51 1smj n HIS 285 Cb 0.17 -1.10 -0.08 0.00 1.12 0.00 0.00 29.99 30.10 1smj n HIS 285 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1smj h VAL 286 N 0.01 0.86 -0.33 1.59 2.07 -1.35 -2.89 116.25 116.20 1smj h VAL 286 Ca -0.42 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 66.91 1smj h VAL 286 Cb 2.09 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.79 1smj h VAL 286 CO 0.05 0.05 -0.49 0.25 0.02 0.00 0.00 177.57 177.45 1smj h LEU 287 N -0.37 -1.63 -0.70 2.57 6.46 0.47 -2.08 115.31 120.04 1smj h LEU 287 Ca -0.03 0.21 0.15 0.00 -0.12 0.00 0.00 57.88 58.10 1smj h LEU 287 Cb 0.29 0.66 -0.12 0.00 -0.73 0.00 0.00 40.66 40.76 1smj h LEU 287 CO 0.04 -0.36 0.01 -0.61 -0.62 0.00 0.00 178.44 176.90 1smj h GLN 288 N -0.37 0.12 0.00 1.25 4.15 -1.42 0.20 115.11 119.04 1smj h GLN 288 Ca 0.06 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1smj h GLN 288 Cb 0.53 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1smj h GLN 288 CO -0.51 0.08 0.00 1.17 -1.93 0.00 0.00 178.83 177.64 1smj n LYS 289 N -5.31 0.00 -0.26 1.69 4.81 -0.83 -1.16 118.16 117.10 1smj n LYS 289 Ca 0.12 0.61 0.13 0.00 -0.87 0.00 0.00 58.31 58.30 1smj n LYS 289 Cb 0.42 -1.36 0.26 0.00 0.02 0.00 0.00 35.03 34.37 1smj n LYS 289 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1smj n ALA 290 N -2.01 0.45 -0.33 3.14 0.00 -0.94 -0.82 120.51 119.99 1smj n ALA 290 Ca 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 53.44 54.21 1smj n ALA 290 Cb 0.00 -0.62 0.09 0.00 0.00 0.00 0.00 19.45 18.91 1smj n ALA 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smj h ALA 291 N 1.52 1.15 0.44 0.00 0.00 -0.34 -0.28 119.26 121.75 1smj h ALA 291 Ca 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1smj h ALA 291 Cb 1.07 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1smj h ALA 291 CO -0.70 0.66 -0.21 0.93 0.00 0.00 0.00 179.25 179.93 1smj h GLU 292 N 1.25 -0.57 -0.47 0.00 5.08 0.55 -1.79 114.58 118.64 1smj h GLU 292 Ca 0.31 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.87 1smj h GLU 292 Cb 0.04 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.34 1smj h GLU 292 CO -0.05 -0.27 0.11 -1.91 -1.00 0.00 0.00 179.01 175.89 1smj n GLU 293 N -5.20 -0.03 -0.04 2.33 0.00 -0.26 0.18 120.64 117.62 1smj n GLU 293 Ca -0.09 0.68 -0.20 0.00 0.00 0.00 0.00 57.16 57.55 1smj n GLU 293 Cb 0.29 -1.14 -0.13 0.00 0.00 0.00 0.00 31.44 30.46 1smj n GLU 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1smj h ALA 294 N 0.94 0.17 -0.32 4.31 0.00 -1.12 -2.64 119.26 120.59 1smj h ALA 294 Ca 0.33 -1.01 0.07 0.00 0.00 0.00 0.00 54.91 54.30 1smj h ALA 294 Cb 0.78 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1smj h ALA 294 CO -0.41 0.63 -0.14 0.00 0.00 0.00 0.00 179.25 179.33 1smj h ALA 295 N -0.17 0.13 0.52 0.00 0.00 0.29 0.98 119.26 121.01 1smj h ALA 295 Ca -0.26 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1smj h ALA 295 Cb 1.47 0.35 0.01 0.00 0.00 0.00 0.00 17.79 19.62 1smj h ALA 295 CO -0.04 -0.52 -0.25 0.07 0.00 0.00 0.00 179.25 178.51 1smj h ARG 296 N -0.08 -0.67 -0.90 0.00 0.11 -0.49 -3.32 114.38 109.03 1smj h ARG 296 Ca 0.16 0.05 0.21 0.00 0.10 0.00 0.00 59.98 60.50 1smj h ARG 296 Cb 0.33 0.15 -0.12 0.00 1.11 0.00 0.00 29.97 31.45 1smj h ARG 296 CO -0.38 -0.39 0.42 0.28 0.10 0.00 0.00 179.97 180.00 1smj h VAL 297 N -1.11 0.53 -3.78 0.08 2.07 -1.04 -3.34 116.25 109.66 1smj h VAL 297 Ca -0.07 -0.16 -0.79 0.00 0.82 0.00 0.00 66.70 66.50 1smj h VAL 297 Cb 0.59 0.03 -0.26 0.00 -1.52 0.00 0.00 31.29 30.12 1smj h VAL 297 CO 0.12 0.08 0.17 -0.76 0.02 0.00 0.00 177.57 177.20 1smj s LEU 298 N -10.45 6.68 0.00 2.57 1.43 0.29 -4.62 118.68 114.59 1smj s LEU 298 Ca -0.12 -2.88 0.11 0.00 -1.03 0.00 0.00 54.13 50.22 1smj s LEU 298 Cb 0.25 -2.21 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 1smj s LEU 298 CO 0.78 -0.51 0.57 1.33 0.23 0.00 0.00 176.35 178.75 1smj n VAL 299 N 3.71 0.00 -2.73 -1.59 0.24 -1.25 -4.85 118.33 111.85 1smj n VAL 299 Ca 0.16 -0.32 -0.30 0.00 -2.04 0.00 0.00 64.34 61.84 1smj n VAL 299 Cb 0.45 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.87 1smj n VAL 299 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1smj s ASP 300 N -1.73 6.44 0.23 -1.34 1.01 -1.26 -4.98 116.67 115.04 1smj s ASP 300 Ca 0.07 1.11 -0.06 0.00 0.71 0.00 0.00 52.55 54.37 1smj s ASP 300 Cb 0.09 -2.32 0.39 0.00 1.01 0.00 0.00 42.92 42.09 1smj s ASP 300 CO 0.36 -0.48 1.74 -0.65 0.21 0.00 0.00 175.17 176.35 1smj h PRO 301 N 0.89 0.46 -4.84 8.23 0.11 -1.90 -3.41 132.00 131.55 1smj h PRO 301 Ca -0.47 -0.03 -0.67 0.00 0.11 0.00 0.00 66.00 64.94 1smj h PRO 301 Cb 1.19 -0.10 -0.35 0.00 0.11 0.00 0.00 31.00 31.84 1smj h PRO 301 CO 0.63 0.30 -0.77 0.08 -0.21 0.00 0.00 178.00 178.04 1smj s VAL 302 N -6.05 2.46 0.11 3.15 1.01 -1.26 -4.67 120.40 115.15 1smj s VAL 302 Ca -0.13 -1.54 -0.31 0.00 0.00 0.00 0.00 61.98 60.00 1smj s VAL 302 Cb 0.19 -2.43 -0.17 0.00 0.00 0.00 0.00 36.38 33.97 1smj s VAL 302 CO 0.76 -0.05 0.71 -2.65 0.00 0.00 0.00 175.10 173.87 1smj n PRO 303 N 4.50 0.00 -3.52 2.72 -0.02 -1.26 -5.01 135.00 132.41 1smj n PRO 303 Ca -0.14 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.08 1smj n PRO 303 Cb 0.43 -1.15 -0.02 0.00 -0.02 0.00 0.00 33.50 32.74 1smj n PRO 303 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1smj s SER 304 N -0.57 6.36 0.29 2.55 1.04 -1.26 -4.97 113.70 117.14 1smj s SER 304 Ca 0.71 0.46 0.07 0.00 0.48 0.00 0.00 55.95 57.67 1smj s SER 304 Cb -1.02 -2.03 0.83 0.00 0.10 0.00 0.00 66.02 63.90 1smj s SER 304 CO 0.54 -0.17 1.40 0.00 0.98 0.00 0.00 173.24 175.99 1smj n TYR 305 N -1.21 0.70 0.06 5.02 4.19 -1.26 -2.38 117.16 122.28 1smj n TYR 305 Ca -0.04 1.07 -0.18 0.00 3.31 0.00 0.00 57.90 62.06 1smj n TYR 305 Cb 0.55 -1.25 -0.08 0.00 0.49 0.00 0.00 39.34 39.04 1smj n TYR 305 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 1smj h LYS 306 N 0.00 0.58 -0.56 2.98 6.56 -2.01 -1.31 116.57 122.81 1smj h LYS 306 Ca 0.60 -0.64 -0.03 0.00 -1.06 0.00 0.00 60.65 59.53 1smj h LYS 306 Cb 1.37 0.18 -0.03 0.00 -0.57 0.00 0.00 32.23 33.19 1smj h LYS 306 CO -0.80 1.24 0.23 1.96 -2.06 0.00 0.00 179.45 180.02 1smj h GLN 307 N 0.32 0.81 -0.60 3.15 4.20 -1.84 -2.66 115.11 118.48 1smj h GLN 307 Ca -0.11 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.39 1smj h GLN 307 Cb 1.67 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.28 1smj h GLN 307 CO 0.19 0.67 0.04 0.28 -0.67 0.00 0.00 178.83 179.34 1smj h VAL 308 N 0.80 1.26 -0.24 -0.54 2.07 -1.02 -2.01 116.25 116.58 1smj h VAL 308 Ca 0.19 -1.09 0.07 0.00 0.82 0.00 0.00 66.70 66.70 1smj h VAL 308 Cb 0.16 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1smj h VAL 308 CO -0.02 0.40 0.23 0.11 0.02 0.00 0.00 177.57 178.31 1smj h LYS 309 N 0.93 0.00 0.00 1.57 1.79 -1.27 -3.07 116.57 116.53 1smj h LYS 309 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1smj h LYS 309 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1smj h LYS 309 CO 0.02 0.00 0.00 1.96 -1.08 0.00 0.00 179.45 180.35 1smj h GLN 310 N 0.00 0.00 -2.31 3.15 4.20 -1.17 -3.36 115.11 115.62 1smj h GLN 310 Ca 0.11 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 1smj h GLN 310 Cb 0.57 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 1smj h GLN 310 CO -0.00 0.00 -0.06 1.28 -0.67 0.00 0.00 178.83 179.38 1smj n LEU 311 N -2.75 3.37 -0.33 1.46 4.77 -1.16 -4.63 117.00 117.73 1smj n LEU 311 Ca 0.02 -2.12 0.07 0.00 -0.03 0.00 0.00 56.01 53.94 1smj n LEU 311 Cb 0.32 -0.88 0.15 0.00 -2.33 0.00 0.00 43.42 40.67 1smj n LEU 311 CO 0.26 0.87 0.63 0.29 -1.33 0.00 0.00 177.39 178.11 1smj n LYS 312 N 2.53 -0.08 -0.00 3.23 5.02 -1.26 -1.99 118.16 125.61 1smj n LYS 312 Ca 0.24 1.44 -0.13 0.00 -2.02 0.00 0.00 58.31 57.84 1smj n LYS 312 Cb 0.55 -2.17 -0.10 0.00 -0.02 0.00 0.00 35.03 33.30 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 -0.03 -0.09 2.13 3.20 -1.96 -3.16 116.97 117.05 1smj h TYR 313 Ca 0.46 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.36 1smj h TYR 313 Cb 0.74 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 1smj h TYR 313 CO -0.68 0.47 0.07 -0.39 -1.64 0.00 0.00 178.16 175.99 1smj h VAL 314 N -0.54 0.89 -0.11 1.81 -1.51 -1.76 0.42 116.25 115.44 1smj h VAL 314 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.40 1smj h VAL 314 Cb 0.51 0.95 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 1smj h VAL 314 CO 0.01 0.00 -0.22 1.23 -1.23 0.00 0.00 177.57 177.35 1smj h GLY 315 N 0.00 0.21 1.02 5.19 0.00 -1.39 -2.94 103.07 105.17 1smj h GLY 315 Ca 0.04 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.11 1smj h GLY 315 CO -0.00 0.13 -0.25 -0.33 0.00 0.00 0.00 176.54 176.09 1smj h MET 316 N 0.18 0.81 -0.29 4.80 2.07 -0.16 -1.83 114.93 120.51 1smj h MET 316 Ca 0.03 -0.39 0.07 0.00 -2.07 0.00 0.00 59.70 57.34 1smj h MET 316 Cb 0.50 -0.01 -0.08 0.00 -1.87 0.00 0.00 31.60 30.15 1smj h MET 316 CO 0.03 1.02 -0.31 0.28 1.07 0.00 0.00 176.91 179.00 1smj h VAL 317 N 0.60 0.27 -0.07 -2.22 2.07 -1.44 0.23 116.25 115.69 1smj h VAL 317 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 1smj h VAL 317 Cb 0.82 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1smj h VAL 317 CO 0.07 0.00 -0.39 -0.07 0.02 0.00 0.00 177.57 177.20 1smj h LEU 318 N -0.30 -1.20 -0.39 2.57 4.07 -1.32 0.79 115.31 119.52 1smj h LEU 318 Ca 0.14 0.16 -0.02 0.00 0.08 0.00 0.00 57.88 58.24 1smj h LEU 318 Cb 0.53 0.49 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 1smj h LEU 318 CO -0.46 -0.42 0.17 0.78 -1.08 0.00 0.00 178.44 177.43 1smj h ASN 319 N -0.50 0.54 -0.99 -0.43 2.35 -1.22 0.74 115.58 116.07 1smj h ASN 319 Ca 0.07 -0.16 0.14 0.00 -0.55 0.00 0.00 56.30 55.80 1smj h ASN 319 Cb 0.61 -0.14 -0.09 0.00 0.05 0.00 0.00 38.32 38.76 1smj h ASN 319 CO -0.35 0.54 0.62 -0.33 -1.65 0.00 0.00 177.43 176.27 1smj h GLU 320 N 0.49 0.88 0.10 0.81 4.39 -0.11 1.91 114.58 123.05 1smj h GLU 320 Ca 0.13 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1smj h GLU 320 Cb 0.17 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1smj h GLU 320 CO -0.01 0.58 -0.05 0.00 -1.16 0.00 0.00 179.01 178.37 1smj h ALA 321 N 1.57 -0.14 -0.34 3.43 0.00 0.46 0.33 119.26 124.56 1smj h ALA 321 Ca 0.51 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.29 1smj h ALA 321 Cb 0.61 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1smj h ALA 321 CO -0.28 -0.34 0.32 1.25 0.00 0.00 0.00 179.25 180.21 1smj h LEU 322 N -0.62 0.00 0.27 0.00 5.85 0.40 0.36 115.31 121.57 1smj h LEU 322 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1smj h LEU 322 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1smj h LEU 322 CO 0.02 0.00 -0.13 -0.09 -0.34 0.00 0.00 178.44 177.90 1smj h ARG 323 N 0.00 -0.36 -0.04 1.25 2.43 0.46 -3.11 114.38 115.02 1smj h ARG 323 Ca 0.16 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1smj h ARG 323 Cb 0.81 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1smj h ARG 323 CO -0.00 -0.12 0.02 -0.07 -1.51 0.00 0.00 179.97 178.29 1smj h LEU 324 N -1.04 0.05 -6.51 3.80 -0.00 0.21 -3.40 115.31 108.42 1smj h LEU 324 Ca -0.04 -0.05 -0.61 0.00 -0.00 0.00 0.00 57.88 57.19 1smj h LEU 324 Cb 0.40 -0.01 -0.42 0.00 -0.00 0.00 0.00 40.66 40.63 1smj h LEU 324 CO 0.06 0.08 -0.57 0.79 -0.00 0.00 0.00 178.44 178.80 1smj n TRP 325 N -5.04 3.53 -1.79 1.13 5.03 0.12 -4.86 117.44 115.56 1smj n TRP 325 Ca -0.06 -4.21 -0.42 0.00 3.03 0.00 0.00 57.50 55.84 1smj n TRP 325 Cb 0.05 -0.59 -0.03 0.00 -1.03 0.00 0.00 31.31 29.71 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 -2.14 3.81 0.36 -0.99 0.04 -1.17 -4.51 135.00 130.39 1smj s PRO 326 Ca 0.35 2.21 0.10 0.00 0.04 0.00 0.00 61.00 63.70 1smj s PRO 326 Cb 0.08 -4.17 0.67 0.00 0.04 0.00 0.00 34.50 31.12 1smj s PRO 326 CO -0.06 -1.31 1.82 1.79 0.04 0.00 0.00 177.00 179.27 1smj h THR 327 N 6.12 1.25 -2.97 1.26 1.35 -1.86 -3.17 112.91 114.89 1smj h THR 327 Ca -0.43 -1.20 -0.72 0.00 -0.55 0.00 0.00 66.41 63.52 1smj h THR 327 Cb 1.21 1.55 -0.21 0.00 -1.73 0.00 0.00 68.15 68.97 1smj h THR 327 CO 0.96 0.35 0.09 0.00 -0.25 0.00 0.00 175.52 176.67 1smj s ALA 328 N -4.33 3.50 -2.12 6.62 0.00 -1.26 -2.08 121.76 122.08 1smj s ALA 328 Ca -0.04 -2.38 0.29 0.00 0.00 0.00 0.00 51.96 49.83 1smj s ALA 328 Cb 0.14 -3.51 1.60 0.00 0.00 0.00 0.00 23.12 21.36 1smj s ALA 328 CO 0.74 -2.32 2.05 -0.35 0.00 0.00 0.00 175.76 175.88 1smj n PRO 329 N 6.00 1.17 -3.82 0.00 -0.04 -1.20 -4.93 135.00 132.19 1smj n PRO 329 Ca -0.07 -0.25 -0.08 0.00 -0.04 0.00 0.00 63.50 63.06 1smj n PRO 329 Cb 0.43 -1.47 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.99 -1.25 0.10 0.55 0.00 -1.26 -3.05 121.76 114.86 1smj s ALA 330 Ca 0.43 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 1smj s ALA 330 Cb 0.21 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.21 1smj s ALA 330 CO 0.34 -1.01 0.37 -0.59 0.00 0.00 0.00 175.76 174.87 1smj s PHE 331 N -3.90 -0.17 0.20 0.00 -0.12 -1.24 -4.95 117.98 107.79 1smj s PHE 331 Ca 0.10 -0.11 0.06 0.00 -0.05 0.00 0.00 56.93 56.93 1smj s PHE 331 Cb -0.05 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1smj s PHE 331 CO 0.05 -0.65 0.13 0.45 -0.05 0.00 0.00 175.22 175.15 1smj s SER 332 N -2.64 5.39 0.03 1.98 0.15 -1.24 -0.53 113.70 116.85 1smj s SER 332 Ca 0.01 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.46 1smj s SER 332 Cb 0.02 -1.36 -0.02 0.00 -1.71 0.00 0.00 66.02 62.95 1smj s SER 332 CO -0.10 0.04 -0.06 -0.76 1.20 0.00 0.00 173.24 173.56 1smj s LEU 333 N -3.34 2.24 0.31 3.45 2.01 0.13 -1.86 118.68 121.61 1smj s LEU 333 Ca 0.31 -0.51 0.09 0.00 0.01 0.00 0.00 54.13 54.03 1smj s LEU 333 Cb -0.09 -0.08 -0.04 0.00 0.01 0.00 0.00 46.19 45.99 1smj s LEU 333 CO 0.23 -0.23 0.10 -0.72 1.01 0.00 0.00 176.35 176.74 1smj s TYR 334 N -1.35 2.74 -0.90 0.29 1.13 -0.82 0.19 117.35 118.63 1smj s TYR 334 Ca -0.12 -0.30 -0.24 0.00 -1.41 0.00 0.00 57.07 55.00 1smj s TYR 334 Cb -0.10 -1.46 -0.02 0.00 -1.10 0.00 0.00 41.96 39.28 1smj s TYR 334 CO -0.00 0.45 1.81 0.00 -2.51 0.00 0.00 175.55 175.31 1smj s ALA 335 N -2.37 1.96 0.23 9.51 0.00 0.50 -3.67 121.76 127.92 1smj s ALA 335 Ca 0.35 -1.60 -0.05 0.00 0.00 0.00 0.00 51.96 50.66 1smj s ALA 335 Cb -0.04 -4.52 0.40 0.00 0.00 0.00 0.00 23.12 18.95 1smj s ALA 335 CO 0.22 -4.44 1.25 1.17 0.00 0.00 0.00 175.76 173.96 1smj n LYS 336 N 8.90 -0.07 -3.88 0.00 3.00 -0.91 0.40 118.16 125.60 1smj n LYS 336 Ca 0.36 1.24 -0.09 0.00 -0.00 0.00 0.00 58.31 59.82 1smj n LYS 336 Cb 0.48 -1.87 -0.08 0.00 0.00 0.00 0.00 35.03 33.56 1smj n LYS 336 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1smj s GLU 337 N -5.97 0.71 0.24 1.64 0.41 -1.26 -4.77 118.70 109.69 1smj s GLU 337 Ca -0.12 -0.79 -0.07 0.00 -0.41 0.00 0.00 54.97 53.58 1smj s GLU 337 Cb 0.22 0.29 -0.06 0.00 -1.78 0.00 0.00 34.13 32.79 1smj s GLU 337 CO 0.62 -0.20 -0.10 -0.25 -0.49 0.00 0.00 175.26 174.84 1smj n ASP 338 N 0.46 -1.66 0.00 -0.19 9.92 -1.26 -4.60 116.55 119.21 1smj n ASP 338 Ca -0.17 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1smj n ASP 338 Cb 0.60 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 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 -0.68 0.00 -4.30 -3.53 5.66 -0.21 -4.89 114.28 106.32 1smj n THR 339 Ca 0.03 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.69 1smj n THR 339 Cb 0.20 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.84 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 -2.00 3.21 -0.30 1.08 1.01 -1.26 0.75 120.40 122.89 1smj s VAL 340 Ca 0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 61.98 61.17 1smj s VAL 340 Cb 0.00 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 1smj s VAL 340 CO 0.00 0.48 0.80 -0.22 0.00 0.00 0.00 175.10 176.15 1smj s LEU 341 N 0.93 4.08 -1.67 3.92 2.96 1.97 -3.85 118.68 127.02 1smj s LEU 341 Ca -0.02 0.72 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 1smj s LEU 341 Cb -0.15 -3.10 0.00 0.00 0.50 0.00 0.00 46.19 43.45 1smj s LEU 341 CO 0.00 -0.60 0.00 0.61 -1.32 0.00 0.00 176.35 175.04 1smj n GLY 342 N 4.13 0.26 3.41 7.98 0.00 -1.26 0.28 105.19 119.99 1smj n GLY 342 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.94 2.71 0.00 -0.02 0.00 -1.25 -4.75 105.19 100.95 1smj n GLY 343 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1smj n GLY 343 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1smj n GLU 344 N -1.98 1.87 -3.68 1.61 1.02 0.94 -4.52 120.64 115.91 1smj n GLU 344 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1smj n GLU 344 Cb 0.00 -0.85 -0.10 0.00 -0.02 0.00 0.00 31.44 30.47 1smj n GLU 344 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1smj s TYR 345 N -1.41 3.47 -0.11 -0.32 2.02 0.14 -0.86 117.35 120.28 1smj s TYR 345 Ca 0.00 -2.04 -0.30 0.00 -0.37 0.00 0.00 57.07 54.37 1smj s TYR 345 Cb 0.00 -3.18 -0.02 0.00 -0.40 0.00 0.00 41.96 38.36 1smj s TYR 345 CO 0.00 -0.94 1.25 -2.14 -1.57 0.00 0.00 175.55 172.14 1smj s PRO 346 N 1.27 4.28 -0.21 -1.71 0.02 -1.26 0.52 135.00 137.91 1smj s PRO 346 Ca 0.06 1.68 -0.08 0.00 0.02 0.00 0.00 61.00 62.68 1smj s PRO 346 Cb -0.24 -3.67 -0.04 0.00 0.02 0.00 0.00 34.50 30.57 1smj s PRO 346 CO -0.02 -0.59 0.07 -0.51 -0.33 0.00 0.00 177.00 175.62 1smj s LEU 347 N 2.92 3.67 0.41 -5.54 1.43 0.23 -4.89 118.68 116.91 1smj s LEU 347 Ca 0.56 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 53.38 1smj s LEU 347 Cb -0.23 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 1smj s LEU 347 CO 0.18 0.08 1.07 -1.61 0.23 0.00 0.00 176.35 176.30 1smj s GLU 348 N 0.95 4.08 0.26 1.70 0.41 -1.26 -1.05 118.70 123.79 1smj s GLU 348 Ca 0.04 1.56 -0.31 0.00 -0.41 0.00 0.00 54.97 55.86 1smj s GLU 348 Cb -0.14 -2.51 -0.11 0.00 -1.78 0.00 0.00 34.13 29.59 1smj s GLU 348 CO 0.03 -0.22 1.63 0.21 -0.49 0.00 0.00 175.26 176.41 1smj s LYS 349 N -2.55 4.13 -1.22 1.61 2.20 -1.26 -0.91 119.74 121.74 1smj s LYS 349 Ca 0.59 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.77 1smj s LYS 349 Cb -0.23 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1smj s LYS 349 CO 0.29 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 1smj n GLY 350 N 2.79 1.06 3.77 5.54 0.00 0.16 -4.88 105.19 113.63 1smj n GLY 350 Ca 0.11 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1smj n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1smj s ASP 351 N -2.81 7.20 0.39 1.61 1.01 -0.09 -4.52 116.67 119.46 1smj s ASP 351 Ca 0.00 2.11 -0.01 0.00 0.71 0.00 0.00 52.55 55.36 1smj s ASP 351 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1smj s ASP 351 CO 0.00 -0.18 0.62 -1.61 0.21 0.00 0.00 175.17 174.22 1smj s GLU 352 N -1.74 3.51 -0.14 8.23 2.02 -1.26 -0.37 118.70 128.95 1smj s GLU 352 Ca 0.48 -0.16 -0.06 0.00 0.02 0.00 0.00 54.97 55.25 1smj s GLU 352 Cb -0.27 -2.57 0.06 0.00 0.10 0.00 0.00 34.13 31.45 1smj s GLU 352 CO 0.34 0.04 0.31 -0.51 0.02 0.00 0.00 175.26 175.47 1smj s LEU 353 N -4.42 -0.04 -0.17 1.80 1.02 0.13 -2.39 118.68 114.62 1smj s LEU 353 Ca 0.42 0.69 -0.02 0.00 0.02 0.00 0.00 54.13 55.25 1smj s LEU 353 Cb -0.10 0.95 -0.01 0.00 0.02 0.00 0.00 46.19 47.05 1smj s LEU 353 CO 0.39 -0.20 -0.09 -0.32 0.02 0.00 0.00 176.35 176.14 1smj s MET 354 N 1.78 3.39 -0.77 1.70 1.75 0.76 -0.69 119.30 127.21 1smj s MET 354 Ca -0.06 -0.65 -0.18 0.00 -1.25 0.00 0.00 55.69 53.55 1smj s MET 354 Cb -0.11 -2.81 0.13 0.00 2.84 0.00 0.00 34.83 34.89 1smj s MET 354 CO -0.10 0.03 0.90 0.08 -0.65 0.00 0.00 175.02 175.28 1smj s VAL 355 N 0.85 4.87 -0.51 10.11 1.01 0.31 -1.44 120.40 135.60 1smj s VAL 355 Ca -0.03 -1.40 -0.28 0.00 0.00 0.00 0.00 61.98 60.27 1smj s VAL 355 Cb -0.15 -4.62 -0.28 0.00 0.00 0.00 0.00 36.38 31.33 1smj s VAL 355 CO 0.01 -1.29 1.81 0.18 0.00 0.00 0.00 175.10 175.81 1smj n LEU 356 N 6.15 1.83 -0.32 3.92 4.77 -1.13 -3.68 117.00 128.54 1smj n LEU 356 Ca 0.08 -2.15 0.18 0.00 -0.03 0.00 0.00 56.01 54.09 1smj n LEU 356 Cb 0.46 -1.03 0.36 0.00 -2.33 0.00 0.00 43.42 40.89 1smj n LEU 356 CO 0.52 -2.10 0.95 0.40 -1.33 0.00 0.00 177.39 175.82 1smj h ILE 357 N 5.42 0.18 0.00 -0.08 2.04 -1.83 -1.92 117.51 121.32 1smj h ILE 357 Ca 0.22 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1smj h ILE 357 Cb 0.79 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1smj h ILE 357 CO 1.70 0.02 -0.05 -0.81 0.00 0.00 0.00 178.15 179.02 1smj n PRO 358 N -5.28 0.12 -0.05 2.37 -0.04 -1.26 -1.72 135.00 129.14 1smj n PRO 358 Ca 0.26 0.10 -0.16 0.00 -0.04 0.00 0.00 63.50 63.65 1smj n PRO 358 Cb 0.84 -1.64 -0.06 0.00 -0.04 0.00 0.00 33.50 32.60 1smj n PRO 358 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1smj h GLN 359 N 0.00 0.77 -0.56 0.54 1.08 -1.65 -3.31 115.11 111.98 1smj h GLN 359 Ca 0.00 -0.55 0.08 0.00 -1.45 0.00 0.00 58.65 56.73 1smj h GLN 359 Cb 0.61 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 28.10 1smj h GLN 359 CO 0.00 1.17 0.38 1.25 -0.95 0.00 0.00 178.83 180.68 1smj h LEU 360 N 0.50 0.37 0.00 1.46 5.85 -1.20 0.44 115.31 122.74 1smj h LEU 360 Ca -0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1smj h LEU 360 Cb 1.22 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1smj h LEU 360 CO 0.13 0.23 0.00 1.41 -0.34 0.00 0.00 178.44 179.87 1smj n HIS 361 N -4.47 0.00 -0.79 1.25 8.25 -0.70 -3.46 115.22 115.30 1smj n HIS 361 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1smj n HIS 361 Cb 0.32 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.67 0.91 -2.19 -0.41 1.74 0.14 -4.83 116.66 111.36 1smj n ARG 362 Ca 0.07 -0.91 -0.41 0.00 -0.77 0.00 0.00 57.85 55.84 1smj n ARG 362 Cb 0.03 -0.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.76 1smj n ARG 362 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1smj s ASP 363 N -0.47 5.78 0.16 0.55 2.15 -0.63 -4.93 116.67 119.28 1smj s ASP 363 Ca 0.01 0.51 -0.11 0.00 0.43 0.00 0.00 52.55 53.39 1smj s ASP 363 Cb 0.01 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.13 1smj s ASP 363 CO 0.00 -1.95 1.61 0.07 -0.17 0.00 0.00 175.17 174.74 1smj h LYS 364 N 12.80 0.94 0.00 4.34 -0.00 -1.92 -0.79 116.57 131.94 1smj h LYS 364 Ca -0.28 -0.30 0.00 0.00 -0.00 0.00 0.00 60.65 60.07 1smj h LYS 364 Cb 1.13 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.28 1smj h LYS 364 CO 1.16 0.96 0.24 1.79 -0.00 0.00 0.00 179.45 183.59 1smj h THR 365 N 0.82 0.00 0.00 0.07 1.35 -1.92 0.31 112.91 113.54 1smj h THR 365 Ca 0.15 0.00 -0.36 0.00 -0.55 0.00 0.00 66.41 65.66 1smj h THR 365 Cb 0.53 0.40 -0.07 0.00 -1.73 0.00 0.00 68.15 67.29 1smj h THR 365 CO 0.03 0.00 -2.33 -0.38 -0.25 0.00 0.00 175.52 172.58 1smj n ILE 366 N -2.25 1.34 -0.00 6.82 2.08 -0.35 -4.86 119.36 122.13 1smj n ILE 366 Ca -0.01 -0.81 0.03 0.00 0.56 0.00 0.00 62.75 62.52 1smj n ILE 366 Cb 0.26 -0.52 -0.05 0.00 -0.75 0.00 0.00 39.64 38.58 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 -2.74 0.00 0.00 1.39 7.02 -0.55 -4.94 117.44 117.62 1smj n TRP 367 Ca -0.32 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.16 1smj n TRP 367 Cb 1.12 -0.15 0.00 0.00 -2.42 0.00 0.00 31.31 29.86 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 2.12 0.70 0.03 6.99 0.00 0.99 -4.88 105.19 111.14 1smj n GLY 368 Ca -0.01 -2.30 0.11 0.00 0.00 0.00 0.00 46.02 43.82 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 0.16 0.63 -2.35 1.61 8.00 -1.26 -4.26 116.55 119.08 1smj n ASP 369 Ca 0.00 -0.29 -0.34 0.00 0.71 0.00 0.00 54.79 54.87 1smj n ASP 369 Cb 0.00 0.74 0.07 0.00 -0.02 0.00 0.00 41.12 41.91 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 -1.86 7.44 0.27 -2.24 5.75 -1.26 -4.78 116.55 119.87 1smj n ASP 370 Ca 0.03 -3.79 0.12 0.00 -0.01 0.00 0.00 54.79 51.14 1smj n ASP 370 Cb 0.41 -0.93 0.76 0.00 -1.03 0.00 0.00 41.12 40.33 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 1.19 0.68 -0.43 2.12 -1.51 -1.91 -2.75 116.25 113.65 1smj h VAL 371 Ca 0.58 -0.29 -0.25 0.00 -1.23 0.00 0.00 66.70 65.52 1smj h VAL 371 Cb 0.81 1.17 -0.13 0.00 -2.13 0.00 0.00 31.29 31.01 1smj h VAL 371 CO 1.51 0.07 0.32 1.21 -1.23 0.00 0.00 177.57 179.45 1smj n GLU 372 N -3.92 1.61 -3.78 5.19 4.07 -1.26 -4.87 120.64 117.67 1smj n GLU 372 Ca -0.02 -1.34 -0.13 0.00 -0.06 0.00 0.00 57.16 55.60 1smj n GLU 372 Cb 0.16 -1.53 -0.14 0.00 -0.06 0.00 0.00 31.44 29.88 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 -1.50 0.10 -0.26 5.31 0.41 -1.04 -5.09 118.70 116.63 1smj s GLU 373 Ca 0.26 0.27 -0.12 0.00 -0.41 0.00 0.00 54.97 54.97 1smj s GLU 373 Cb 0.21 -0.08 -0.05 0.00 -1.78 0.00 0.00 34.13 32.43 1smj s GLU 373 CO 0.03 -0.11 0.24 0.12 -0.49 0.00 0.00 175.26 175.05 1smj s PHE 374 N 0.72 3.27 -0.39 1.61 5.36 -1.26 -4.96 117.98 122.32 1smj s PHE 374 Ca -0.05 0.27 0.07 0.00 -0.96 0.00 0.00 56.93 56.25 1smj s PHE 374 Cb -0.07 -2.40 0.18 0.00 -0.34 0.00 0.00 43.02 40.38 1smj s PHE 374 CO -0.03 -0.09 0.57 0.50 -1.46 0.00 0.00 175.22 174.71 1smj s ARG 375 N 1.56 0.76 0.64 10.12 3.52 -1.26 -5.02 118.95 129.27 1smj s ARG 375 Ca 0.10 -0.33 0.18 0.00 -0.13 0.00 0.00 55.73 55.55 1smj s ARG 375 Cb -0.15 -0.06 0.89 0.00 -1.56 0.00 0.00 34.95 34.07 1smj s ARG 375 CO 0.08 -1.18 1.47 -1.35 -0.81 0.00 0.00 175.30 173.52 1smj h PRO 376 N 7.08 0.00 0.20 5.12 0.11 -1.93 -2.94 132.00 139.65 1smj h PRO 376 Ca 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1smj h PRO 376 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1smj h PRO 376 CO 0.12 0.00 -0.10 0.93 -0.21 0.00 0.00 178.00 178.75 1smj h GLU 377 N 0.00 -0.26 -0.14 1.05 3.07 -1.96 -1.86 114.58 114.48 1smj h GLU 377 Ca 0.11 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.03 1smj h GLU 377 Cb 1.59 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.55 1smj h GLU 377 CO -0.00 0.03 0.10 0.54 -1.40 0.00 0.00 179.01 178.27 1smj n ARG 378 N -5.09 -0.00 -1.91 2.33 1.74 -1.11 0.12 116.66 112.75 1smj n ARG 378 Ca -0.09 0.10 -0.39 0.00 -0.77 0.00 0.00 57.85 56.70 1smj n ARG 378 Cb 0.22 -0.21 0.04 0.00 -1.02 0.00 0.00 32.46 31.49 1smj n ARG 378 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1smj n PHE 379 N -2.45 3.03 -0.07 -1.55 3.01 -0.70 -4.49 117.46 114.24 1smj n PHE 379 Ca 0.04 -2.43 -0.07 0.00 1.01 0.00 0.00 57.45 56.00 1smj n PHE 379 Cb 0.15 -1.14 -0.02 0.00 -0.01 0.00 0.00 39.48 38.46 1smj n PHE 379 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1smj n GLU 380 N -0.57 0.42 -3.74 -1.08 4.07 0.12 -4.69 120.64 115.17 1smj n GLU 380 Ca 0.54 0.19 -0.38 0.00 -0.06 0.00 0.00 57.16 57.45 1smj n GLU 380 Cb 0.30 -1.27 -0.12 0.00 -0.06 0.00 0.00 31.44 30.29 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 -5.52 5.33 0.00 4.31 2.47 -1.26 -5.00 114.94 115.26 1smj s ASN 381 Ca -0.23 -1.46 0.00 0.00 0.42 0.00 0.00 52.86 51.59 1smj s ASN 381 Cb 0.03 -1.87 0.00 0.00 -1.45 0.00 0.00 41.25 37.96 1smj s ASN 381 CO 0.34 -0.42 0.72 -2.65 -3.72 0.00 0.00 177.10 171.37 1smj n PRO 382 N 4.76 0.00 0.00 0.43 -0.02 -1.26 -1.34 135.00 137.58 1smj n PRO 382 Ca -0.10 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1smj n PRO 382 Cb 0.43 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 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 -1.36 0.00 0.08 2.55 2.88 -1.26 0.44 113.62 116.95 1smj n SER 383 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1smj n SER 383 Cb 0.00 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 63.89 1smj n SER 383 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1smj h ALA 384 N 0.00 1.64 -2.32 -1.46 0.00 -1.60 -3.43 119.26 112.10 1smj h ALA 384 Ca 0.00 -0.11 -0.54 0.00 0.00 0.00 0.00 54.91 54.26 1smj h ALA 384 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1smj h ALA 384 CO 0.00 0.27 1.01 0.42 0.00 0.00 0.00 179.25 180.95 1smj s ILE 385 N -5.10 3.52 1.05 0.00 1.09 0.17 -4.98 121.20 116.95 1smj s ILE 385 Ca -0.07 0.77 -0.18 0.00 -1.10 0.00 0.00 60.65 60.08 1smj s ILE 385 Cb 0.16 -3.50 0.04 0.00 -1.06 0.00 0.00 42.46 38.10 1smj s ILE 385 CO 0.73 -0.04 -0.09 -2.65 -0.10 0.00 0.00 174.94 172.78 1smj n PRO 386 N 6.43 -0.93 -4.13 2.79 -0.02 -1.26 -4.97 135.00 132.91 1smj n PRO 386 Ca 0.16 -0.25 -0.26 0.00 -2.02 0.00 0.00 63.50 61.13 1smj n PRO 386 Cb 0.42 -1.63 -0.06 0.00 -0.02 0.00 0.00 33.50 32.22 1smj n PRO 386 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1smj s GLN 387 N -3.25 2.73 0.00 -0.52 -0.44 -1.26 -4.27 119.66 112.65 1smj s GLN 387 Ca 0.53 -0.97 0.00 0.00 -2.50 0.00 0.00 55.36 52.42 1smj s GLN 387 Cb -0.13 -2.54 0.00 0.00 -1.64 0.00 0.00 33.01 28.70 1smj s GLN 387 CO 0.68 0.47 0.00 0.72 0.50 0.00 0.00 175.29 177.65 1smj n HIS 388 N -0.34 0.00 -0.03 1.67 8.25 -1.26 -4.93 115.22 118.57 1smj n HIS 388 Ca -0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.29 1smj n HIS 388 Cb 0.55 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 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 0.19 2.41 -3.04 -1.41 0.00 -1.26 -4.51 120.51 112.90 1smj n ALA 389 Ca 0.00 -0.33 -0.44 0.00 0.00 0.00 0.00 53.44 52.67 1smj n ALA 389 Cb 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.19 3.00 -0.38 0.00 5.36 -1.26 -4.25 117.98 118.26 1smj s PHE 390 Ca -0.12 -0.87 0.10 0.00 -0.96 0.00 0.00 56.93 55.08 1smj s PHE 390 Cb 0.04 -3.93 0.44 0.00 -0.34 0.00 0.00 43.02 39.23 1smj s PHE 390 CO 0.15 -1.26 1.06 1.63 -1.46 0.00 0.00 175.22 175.34 1smj n LYS 391 N 6.33 2.57 -0.10 10.12 5.02 -1.26 -4.91 118.16 135.94 1smj n LYS 391 Ca -0.09 -4.01 0.03 0.00 -2.02 0.00 0.00 58.31 52.22 1smj n LYS 391 Cb 0.43 -1.87 0.10 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.34 1.47 -0.23 1.97 -0.04 -1.26 -3.27 135.00 133.29 1smj n PRO 392 Ca 0.28 -0.73 0.06 0.00 -0.04 0.00 0.00 63.50 63.07 1smj n PRO 392 Cb 0.74 -1.16 0.09 0.00 -0.04 0.00 0.00 33.50 33.12 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 0.09 0.00 -4.00 0.54 3.72 -1.26 -4.81 117.46 111.74 1smj n PHE 393 Ca 0.07 -0.64 0.00 0.00 -0.05 0.00 0.00 57.45 56.83 1smj n PHE 393 Cb 0.17 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.91 -1.96 2.97 1.37 0.00 -1.20 -0.78 105.19 104.68 1smj n GLY 394 Ca 0.10 -1.40 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 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 1.14 0.90 1.61 2.47 -1.25 -4.84 114.94 110.96 1smj s ASN 395 Ca 0.00 -0.17 0.00 0.00 0.42 0.00 0.00 52.86 53.11 1smj s ASN 395 Cb 0.00 -0.40 0.00 0.00 -1.45 0.00 0.00 41.25 39.40 1smj s ASN 395 CO 0.00 0.02 0.00 0.61 -3.72 0.00 0.00 177.10 174.01 1smj n GLY 396 N 3.56 0.93 0.14 1.21 0.00 -1.26 -3.29 105.19 106.47 1smj n GLY 396 Ca -0.21 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 0.37 -2.54 1.61 3.07 -1.99 -3.32 115.11 112.31 1smj h GLN 397 Ca 0.00 -0.19 -0.07 0.00 0.09 0.00 0.00 58.65 58.47 1smj h GLN 397 Cb 0.00 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.54 1smj h GLN 397 CO 0.00 0.75 0.12 0.54 0.09 0.00 0.00 178.83 180.33 1smj n ARG 398 N -4.55 0.79 -4.34 0.06 5.12 -1.21 -4.87 116.66 107.66 1smj n ARG 398 Ca -0.06 -0.38 -0.18 0.00 -1.93 0.00 0.00 57.85 55.31 1smj n ARG 398 Cb 0.36 -1.67 -0.10 0.00 -1.16 0.00 0.00 32.46 29.89 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 2.10 1.89 -0.26 7.54 0.00 -1.25 -3.92 121.76 127.85 1smj s ALA 399 Ca 0.25 -1.72 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 1smj s ALA 399 Cb 0.12 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 1smj s ALA 399 CO 0.00 -0.12 1.70 0.00 0.00 0.00 0.00 175.76 177.34 1smj n ILE 401 N 6.79 1.31 -0.07 0.00 2.08 -1.26 -2.73 119.36 125.49 1smj n ILE 401 Ca 0.20 0.64 -0.10 0.00 0.56 0.00 0.00 62.75 64.06 1smj n ILE 401 Cb 0.46 -1.63 -0.15 0.00 -0.75 0.00 0.00 39.64 37.56 1smj n ILE 401 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1smj n GLY 402 N -1.28 -0.99 0.00 7.39 0.00 -1.26 -4.57 105.19 104.47 1smj n GLY 402 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.88 0.00 0.05 1.61 7.27 -1.11 0.36 117.38 122.68 1smj n GLN 403 Ca -0.26 0.00 0.02 0.00 0.07 0.00 0.00 57.00 56.83 1smj n GLN 403 Cb 1.11 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.70 1smj n GLN 403 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1smj n GLN 404 N -2.00 0.62 0.15 3.69 -0.06 -1.26 -3.10 117.38 115.42 1smj n GLN 404 Ca 0.00 0.21 -0.14 0.00 -2.00 0.00 0.00 57.00 55.06 1smj n GLN 404 Cb 0.00 -1.81 -0.08 0.00 -4.06 0.00 0.00 30.24 24.29 1smj n GLN 404 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 1smj h PHE 405 N 0.00 -0.31 -0.09 3.69 3.04 -0.41 -2.13 116.94 120.73 1smj h PHE 405 Ca -0.13 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.82 1smj h PHE 405 Cb 1.47 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 40.06 1smj h PHE 405 CO 0.00 -0.13 -0.19 0.00 -2.02 0.00 0.00 178.31 175.97 1smj h ALA 406 N 0.32 -0.53 -0.97 2.41 0.00 -1.56 -1.98 119.26 116.95 1smj h ALA 406 Ca -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1smj h ALA 406 Cb 0.32 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1smj h ALA 406 CO 0.06 -0.61 0.63 -0.07 0.00 0.00 0.00 179.25 179.26 1smj h LEU 407 N -0.17 1.07 0.06 0.00 4.07 -1.51 1.10 115.31 119.92 1smj h LEU 407 Ca 0.02 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.99 1smj h LEU 407 Cb 0.22 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 41.66 1smj h LEU 407 CO -0.18 0.74 -0.39 -0.74 -1.08 0.00 0.00 178.44 176.79 1smj h HIS 408 N 1.24 -1.09 -0.27 1.13 2.76 -1.31 -0.72 115.15 116.89 1smj h HIS 408 Ca 0.38 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.53 1smj h HIS 408 Cb -0.03 0.47 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1smj h HIS 408 CO -0.01 -0.48 -0.04 1.49 -1.30 0.00 0.00 177.93 177.59 1smj h GLU 409 N -0.58 0.50 0.00 5.26 4.81 0.84 0.73 114.58 126.14 1smj h GLU 409 Ca 0.04 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1smj h GLU 409 Cb 0.64 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1smj h GLU 409 CO -0.27 0.69 0.00 0.00 -0.73 0.00 0.00 179.01 178.71 1smj n ALA 410 N -2.38 -0.14 -0.11 2.92 0.00 0.32 -0.52 120.51 120.61 1smj n ALA 410 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 1smj n ALA 410 Cb 0.28 0.10 0.01 0.00 0.00 0.00 0.00 19.45 19.85 1smj n ALA 410 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1smj n THR 411 N -1.29 -0.15 -0.25 0.00 -1.04 -0.32 -0.01 114.28 111.21 1smj n THR 411 Ca 0.00 0.66 -0.02 0.00 -2.04 0.00 0.00 64.05 62.65 1smj n THR 411 Cb 0.00 -0.87 0.17 0.00 -1.82 0.00 0.00 70.33 67.80 1smj n THR 411 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1smj h LEU 412 N 0.00 0.96 0.00 -4.42 5.85 0.31 -1.79 115.31 116.22 1smj h LEU 412 Ca 0.10 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1smj h LEU 412 Cb 0.17 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1smj h LEU 412 CO -0.28 0.77 -0.29 1.62 -0.34 0.00 0.00 178.44 179.93 1smj h VAL 413 N 1.08 0.63 -0.88 1.05 3.04 0.11 -3.04 116.25 118.24 1smj h VAL 413 Ca 0.27 -1.55 0.35 0.00 -1.01 0.00 0.00 66.70 64.77 1smj h VAL 413 Cb 0.03 1.27 -0.16 0.00 -2.01 0.00 0.00 31.29 30.41 1smj h VAL 413 CO -0.04 0.21 0.41 -0.11 -1.01 0.00 0.00 177.57 177.03 1smj n LEU 414 N -4.65 0.25 0.01 3.16 0.00 0.89 0.82 117.00 117.48 1smj n LEU 414 Ca -0.09 1.46 -0.12 0.00 0.00 0.00 0.00 56.01 57.26 1smj n LEU 414 Cb 0.29 -0.69 -0.08 0.00 0.00 0.00 0.00 43.42 42.94 1smj n LEU 414 CO 0.14 -1.62 0.77 1.23 0.00 0.00 0.00 177.39 177.91 1smj h GLY 415 N 0.00 0.03 1.93 -3.96 0.00 -1.27 -2.29 103.07 97.51 1smj h GLY 415 Ca 0.72 -0.02 -0.20 0.00 0.00 0.00 0.00 47.33 47.83 1smj h GLY 415 CO -0.70 0.02 -0.94 -0.33 0.00 0.00 0.00 176.54 174.59 1smj h MET 416 N -0.19 0.06 -0.73 4.80 2.86 0.53 0.26 114.93 122.52 1smj h MET 416 Ca 0.01 -0.08 0.14 0.00 -2.06 0.00 0.00 59.70 57.71 1smj h MET 416 Cb 0.23 0.03 -0.14 0.00 0.06 0.00 0.00 31.60 31.78 1smj h MET 416 CO 0.00 0.95 -0.23 0.52 1.06 0.00 0.00 176.91 179.22 1smj h MET 417 N 0.02 -0.03 -0.08 1.72 2.07 -1.02 -0.91 114.93 116.70 1smj h MET 417 Ca -0.03 0.00 -0.24 0.00 -2.07 0.00 0.00 59.70 57.37 1smj h MET 417 Cb 1.64 0.01 0.01 0.00 -1.87 0.00 0.00 31.60 31.39 1smj h MET 417 CO 0.13 -0.02 -0.90 -0.07 1.07 0.00 0.00 176.91 177.12 1smj h LEU 418 N -0.03 0.89 -0.51 1.22 3.38 -0.40 -0.86 115.31 118.99 1smj h LEU 418 Ca 0.33 -0.64 0.10 0.00 0.09 0.00 0.00 57.88 57.76 1smj h LEU 418 Cb 0.55 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 40.93 1smj h LEU 418 CO -0.76 1.44 -0.19 0.50 0.09 0.00 0.00 178.44 179.52 1smj h LYS 419 N 0.45 -0.07 -0.04 1.13 3.64 -1.09 -3.29 116.57 117.31 1smj h LYS 419 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1smj h LYS 419 Cb 1.53 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 1smj h LYS 419 CO 0.18 -0.05 0.00 0.72 -2.27 0.00 0.00 179.45 178.03 1smj n HIS 420 N -5.40 0.03 -4.41 1.91 -0.00 -0.36 -4.75 115.22 102.24 1smj n HIS 420 Ca 0.05 -0.02 -0.26 0.00 -0.00 0.00 0.00 57.72 57.48 1smj n HIS 420 Cb 0.31 -0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.18 1smj n HIS 420 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1smj s PHE 421 N -1.18 2.24 -0.20 4.41 0.08 -0.34 0.32 117.98 123.31 1smj s PHE 421 Ca 0.17 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 56.81 1smj s PHE 421 Cb 0.12 -1.11 -0.02 0.00 -0.57 0.00 0.00 43.02 41.45 1smj s PHE 421 CO 0.18 0.48 -0.04 -0.51 -0.10 0.00 0.00 175.22 175.23 1smj s ASP 422 N -2.66 4.47 -0.20 1.36 1.01 0.91 -4.79 116.67 116.77 1smj s ASP 422 Ca 0.20 -0.31 -0.13 0.00 0.71 0.00 0.00 52.55 53.03 1smj s ASP 422 Cb -0.08 -1.76 -0.05 0.00 1.01 0.00 0.00 42.92 42.05 1smj s ASP 422 CO 0.09 0.04 0.24 -0.36 0.21 0.00 0.00 175.17 175.39 1smj s PHE 423 N 1.15 3.40 -0.15 4.23 0.08 -1.26 -1.75 117.98 123.67 1smj s PHE 423 Ca 0.02 0.45 -0.09 0.00 0.12 0.00 0.00 56.93 57.43 1smj s PHE 423 Cb -0.15 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 1smj s PHE 423 CO -0.00 0.16 0.14 -2.00 -0.10 0.00 0.00 175.22 173.42 1smj s GLU 424 N 0.75 3.78 -0.98 0.44 2.12 0.49 -4.97 118.70 120.33 1smj s GLU 424 Ca 0.13 -0.15 -0.01 0.00 0.36 0.00 0.00 54.97 55.29 1smj s GLU 424 Cb -0.13 -3.29 0.32 0.00 0.26 0.00 0.00 34.13 31.28 1smj s GLU 424 CO 0.03 0.56 1.92 -3.47 -0.54 0.00 0.00 175.26 173.77 1smj n ASP 425 N 2.66 7.43 0.20 -1.70 2.03 -1.26 -2.11 116.55 123.80 1smj n ASP 425 Ca -0.18 -3.70 0.15 0.00 0.52 0.00 0.00 54.79 51.58 1smj n ASP 425 Cb 0.54 -1.15 0.56 0.00 -0.72 0.00 0.00 41.12 40.35 1smj n ASP 425 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1smj h HIS 426 N 3.88 0.00 -0.59 -0.67 2.07 -1.91 0.52 115.15 118.45 1smj h HIS 426 Ca 0.55 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.07 1smj h HIS 426 Cb 0.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.22 1smj h HIS 426 CO 1.31 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 176.42 1smj n THR 427 N -3.04 0.78 -3.61 6.12 -2.24 -1.26 -4.98 114.28 106.04 1smj n THR 427 Ca 0.04 -0.88 -0.22 0.00 -2.27 0.00 0.00 64.05 60.72 1smj n THR 427 Cb 0.74 0.70 0.01 0.00 -2.10 0.00 0.00 70.33 69.67 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 1.58 -2.66 -4.68 3.42 5.15 0.18 -4.73 115.26 113.53 1smj n ASN 428 Ca 0.22 -0.69 -0.46 0.00 -0.60 0.00 0.00 54.58 53.05 1smj n ASN 428 Cb 0.61 -0.95 -0.04 0.00 -0.53 0.00 0.00 39.78 38.87 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 -2.60 2.39 -2.68 1.20 9.36 -1.26 -4.97 117.16 118.59 1smj n TYR 429 Ca -0.13 -0.06 -0.42 0.00 3.32 0.00 0.00 57.90 60.60 1smj n TYR 429 Cb 0.38 -2.68 -0.03 0.00 -0.63 0.00 0.00 39.34 36.38 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 3.65 4.42 0.23 2.98 2.56 -1.26 -4.98 118.70 126.30 1smj s GLU 430 Ca 0.89 1.40 -0.31 0.00 0.00 0.00 0.00 54.97 56.96 1smj s GLU 430 Cb -0.62 -3.54 -0.10 0.00 2.00 0.00 0.00 34.13 31.86 1smj s GLU 430 CO 0.47 -0.32 1.51 -1.17 -0.56 0.00 0.00 175.26 175.19 1smj s LEU 431 N 2.02 4.37 -0.20 2.70 2.96 -1.26 -4.98 118.68 124.29 1smj s LEU 431 Ca 0.49 2.70 -0.08 0.00 -0.22 0.00 0.00 54.13 57.02 1smj s LEU 431 Cb -0.18 -3.62 0.09 0.00 0.50 0.00 0.00 46.19 42.98 1smj s LEU 431 CO 0.18 -0.78 0.44 -0.62 -1.32 0.00 0.00 176.35 174.25 1smj s ASP 432 N 0.64 -0.38 -0.26 3.68 2.15 -1.26 -5.07 116.67 116.17 1smj s ASP 432 Ca 0.64 1.03 -0.05 0.00 0.43 0.00 0.00 52.55 54.60 1smj s ASP 432 Cb -0.44 1.32 0.01 0.00 -0.30 0.00 0.00 42.92 43.51 1smj s ASP 432 CO 0.40 -0.22 0.01 -0.63 -0.17 0.00 0.00 175.17 174.56 1smj s ILE 433 N 2.40 3.56 -0.12 4.11 1.01 -1.26 0.58 121.20 131.48 1smj s ILE 433 Ca -0.04 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 1smj s ILE 433 Cb -0.11 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1smj s ILE 433 CO -0.13 0.22 0.28 -0.75 0.00 0.00 0.00 174.94 174.55 1smj s LYS 434 N 1.46 4.05 -0.25 2.79 2.20 0.38 -4.87 119.74 125.50 1smj s LYS 434 Ca 0.03 0.10 -0.05 0.00 -0.36 0.00 0.00 55.97 55.70 1smj s LYS 434 Cb -0.16 -3.35 -0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1smj s LYS 434 CO -0.01 0.42 0.01 -1.21 -0.36 0.00 0.00 175.35 174.20 1smj s GLU 435 N -0.09 3.24 -0.50 4.03 2.02 -1.26 -2.33 118.70 123.82 1smj s GLU 435 Ca 0.17 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.46 1smj s GLU 435 Cb -0.13 -3.16 0.15 0.00 0.10 0.00 0.00 34.13 31.09 1smj s GLU 435 CO 0.05 -0.30 0.32 0.95 0.02 0.00 0.00 175.26 176.30 1smj s THR 436 N 1.48 1.58 0.00 3.63 -4.23 -1.26 -4.82 115.64 112.01 1smj s THR 436 Ca 0.04 -3.01 0.00 0.00 -1.18 0.00 0.00 61.69 57.54 1smj s THR 436 Cb -0.16 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.60 1smj s THR 436 CO -0.01 -0.99 0.00 0.18 -0.54 0.00 0.00 174.62 173.26 1smj n LEU 437 N 3.01 0.00 -4.14 4.79 4.77 -1.26 -4.65 117.00 119.53 1smj n LEU 437 Ca 0.16 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 1smj n LEU 437 Cb 0.37 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.66 1smj n LEU 437 CO 0.22 0.00 0.06 0.35 -1.33 0.00 0.00 177.39 176.69 1smj n THR 438 N 0.00 0.00 -4.53 -5.08 -2.24 -1.26 -4.76 114.28 96.41 1smj n THR 438 Ca 0.00 -0.10 -0.26 0.00 -2.27 0.00 0.00 64.05 61.42 1smj n THR 438 Cb 0.00 -0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 67.45 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 -2.76 2.81 0.00 3.22 1.43 -0.88 -4.47 118.68 118.02 1smj s LEU 439 Ca 0.50 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1smj s LEU 439 Cb -0.10 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1smj s LEU 439 CO 0.46 -0.29 0.00 1.17 0.23 0.00 0.00 176.35 177.93 1smj n LYS 440 N -0.87 0.00 -2.18 1.70 4.81 -0.98 -4.55 118.16 116.08 1smj n LYS 440 Ca -0.05 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.97 1smj n LYS 440 Cb 0.64 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.67 1smj n LYS 440 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1smj s PRO 441 N -1.22 3.41 0.00 1.64 0.04 -1.26 0.14 135.00 137.75 1smj s PRO 441 Ca 0.00 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 1smj s PRO 441 Cb 0.00 -4.12 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 1smj s PRO 441 CO 0.00 -1.77 1.35 -2.00 0.04 0.00 0.00 177.00 174.62 1smj s GLU 442 N 5.39 4.31 -1.32 4.56 2.12 0.19 -3.73 118.70 130.22 1smj s GLU 442 Ca 0.69 1.91 -0.06 0.00 0.36 0.00 0.00 54.97 57.88 1smj s GLU 442 Cb -0.17 -3.53 0.01 0.00 0.26 0.00 0.00 34.13 30.70 1smj s GLU 442 CO 0.32 -0.52 1.06 0.41 -0.54 0.00 0.00 175.26 175.99 1smj n GLY 443 N 3.56 -0.46 3.80 -1.50 0.00 -1.26 -4.60 105.19 104.73 1smj n GLY 443 Ca 0.12 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.36 3.83 0.01 1.61 5.36 -1.24 -5.03 117.98 119.15 1smj s PHE 444 Ca 0.35 1.40 -0.08 0.00 -0.96 0.00 0.00 56.93 57.64 1smj s PHE 444 Cb -0.16 -2.59 0.00 0.00 -0.34 0.00 0.00 43.02 39.93 1smj s PHE 444 CO 0.75 0.55 0.15 0.14 -1.46 0.00 0.00 175.22 175.34 1smj s VAL 445 N -1.16 0.09 0.25 3.12 -7.23 -1.26 -2.66 120.40 111.55 1smj s VAL 445 Ca 0.32 -0.77 -0.16 0.00 -1.81 0.00 0.00 61.98 59.56 1smj s VAL 445 Cb -0.20 -0.58 0.01 0.00 0.56 0.00 0.00 36.38 36.16 1smj s VAL 445 CO 0.22 -0.43 0.57 0.68 -0.31 0.00 0.00 175.10 175.83 1smj s VAL 446 N -1.75 0.00 0.10 1.32 -7.23 -1.07 -4.72 120.40 107.07 1smj s VAL 446 Ca -0.12 -1.19 0.09 0.00 -1.81 0.00 0.00 61.98 58.95 1smj s VAL 446 Cb -0.06 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1smj s VAL 446 CO -0.00 -0.01 -0.22 -0.54 -0.31 0.00 0.00 175.10 174.02 1smj s LYS 447 N -3.97 1.16 -0.15 4.82 1.02 -0.90 -1.37 119.74 120.36 1smj s LYS 447 Ca 0.17 -1.18 -0.02 0.00 0.02 0.00 0.00 55.97 54.95 1smj s LYS 447 Cb -0.03 -1.45 0.05 0.00 -0.52 0.00 0.00 37.83 35.88 1smj s LYS 447 CO 0.07 0.34 0.02 0.00 -0.92 0.00 0.00 175.35 174.86 1smj s ALA 448 N -1.15 0.90 -0.13 5.17 0.00 -1.26 -0.38 121.76 124.92 1smj s ALA 448 Ca 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 51.96 51.50 1smj s ALA 448 Cb -0.10 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1smj s ALA 448 CO 0.04 -0.88 0.07 0.15 0.00 0.00 0.00 175.76 175.14 1smj s LYS 449 N 1.90 3.47 0.85 0.00 -0.14 -0.72 -4.87 119.74 120.23 1smj s LYS 449 Ca 0.01 -0.28 -0.12 0.00 -1.36 0.00 0.00 55.97 54.22 1smj s LYS 449 Cb -0.15 -3.07 0.10 0.00 -1.68 0.00 0.00 37.83 33.03 1smj s LYS 449 CO -0.07 0.59 1.11 -1.54 -0.76 0.00 0.00 175.35 174.69 1smj s SER 450 N -0.53 4.03 -0.01 2.83 1.04 -1.26 -0.06 113.70 119.73 1smj s SER 450 Ca 0.11 1.15 0.20 0.00 0.48 0.00 0.00 55.95 57.89 1smj s SER 450 Cb -0.12 -1.82 0.59 0.00 0.10 0.00 0.00 66.02 64.78 1smj s SER 450 CO 0.02 -2.25 1.49 0.29 0.98 0.00 0.00 173.24 173.78 1smj n LYS 451 N -3.59 2.66 -4.24 4.02 5.02 0.15 -4.65 118.16 117.52 1smj n LYS 451 Ca 0.07 -2.40 -0.32 0.00 -2.02 0.00 0.00 58.31 53.64 1smj n LYS 451 Cb 0.58 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 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 1.37 -1.93 -3.62 1.97 5.02 -1.26 -4.95 118.16 114.76 1smj n LYS 452 Ca 0.22 0.23 -0.37 0.00 -2.02 0.00 0.00 58.31 56.38 1smj n LYS 452 Cb 0.59 -4.30 -0.07 0.00 -0.02 0.00 0.00 35.03 31.24 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 -3.89 5.31 0.00 -0.18 1.01 -1.26 -5.12 121.20 117.07 1smj s ILE 453 Ca 0.27 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.41 1smj s ILE 453 Cb -0.15 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1smj s ILE 453 CO 0.96 0.47 0.00 -0.81 0.00 0.00 0.00 174.94 175.56 1smj n PRO 454 N 2.99 1.61 0.00 2.79 -0.04 -1.26 -4.96 135.00 136.14 1smj n PRO 454 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1smj n PRO 454 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1smj n PRO 454 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93