#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj s GLN 2 N 0.00 2.52 -0.10 2.12 1.03 -1.26 0.36 119.66 124.32 2otj s GLN 2 Ca 0.00 -0.89 -0.01 0.00 0.04 0.00 0.00 55.36 54.50 2otj s GLN 2 Cb 0.00 -2.51 0.03 0.00 0.03 0.00 0.00 33.01 30.56 2otj s GLN 2 CO 0.00 0.52 -0.03 0.00 -2.54 0.00 0.00 175.29 173.25 2otj s ALA 3 N -1.38 0.99 0.13 2.60 0.00 0.10 -4.67 121.76 119.53 2otj s ALA 3 Ca 0.26 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.55 2otj s ALA 3 Cb -0.11 -0.86 -0.08 0.00 0.00 0.00 0.00 23.12 22.06 2otj s ALA 3 CO 0.18 -0.52 1.42 0.99 0.00 0.00 0.00 175.76 177.83 2otj s THR 4 N 1.85 3.16 0.09 0.00 2.01 -1.26 -1.72 115.64 119.77 2otj s THR 4 Ca 0.04 0.84 -0.11 0.00 0.31 0.00 0.00 61.69 62.78 2otj s THR 4 Cb -0.13 -3.54 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 2otj s THR 4 CO -0.07 0.07 0.44 -0.63 -0.69 0.00 0.00 174.62 173.74 2otj s ILE 5 N 1.00 5.03 0.02 1.82 1.01 -1.20 -4.20 121.20 124.68 2otj s ILE 5 Ca 0.65 0.56 0.07 0.00 0.00 0.00 0.00 60.65 61.92 2otj s ILE 5 Cb -0.38 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 2otj s ILE 5 CO 0.31 0.29 -0.21 -0.31 0.00 0.00 0.00 174.94 175.02 2otj s TYR 6 N -1.40 1.86 0.57 3.97 1.51 -0.79 -1.00 117.35 122.08 2otj s TYR 6 Ca 0.34 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.04 2otj s TYR 6 Cb -0.14 -1.15 0.04 0.00 -0.11 0.00 0.00 41.96 40.60 2otj s TYR 6 CO 0.18 0.04 0.81 0.16 -1.11 0.00 0.00 175.55 175.63 2otj s ASP 7 N -0.90 5.18 0.00 2.29 1.47 -0.96 -1.30 116.67 122.44 2otj s ASP 7 Ca 0.08 -0.00 0.00 0.00 1.18 0.00 0.00 52.55 53.80 2otj s ASP 7 Cb -0.09 -0.83 0.00 0.00 -0.34 0.00 0.00 42.92 41.67 2otj s ASP 7 CO 0.01 -1.22 0.35 0.18 0.68 0.00 0.00 175.17 175.17 2otj n LEU 8 N -2.42 0.00 -0.05 2.11 4.77 -1.26 0.11 117.00 120.26 2otj n LEU 8 Ca 0.08 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 2otj n LEU 8 Cb 0.60 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 2otj n LEU 8 CO 0.45 0.00 0.03 0.47 -1.33 0.00 0.00 177.39 177.01 2otj n ASP 9 N -0.84 0.65 0.00 -1.43 8.00 -1.26 -4.75 116.55 116.92 2otj n ASP 9 Ca 0.00 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.67 2otj n ASP 9 Cb 0.00 0.89 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 2otj n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2otj n GLY 10 N 1.18 0.71 3.89 0.44 0.00 0.12 -4.92 105.19 106.60 2otj n GLY 10 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2otj n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2otj s ASN 11 N -2.01 6.54 0.77 1.61 0.01 -1.26 -4.85 114.94 115.74 2otj s ASN 11 Ca 0.00 0.69 -0.15 0.00 -0.71 0.00 0.00 52.86 52.69 2otj s ASN 11 Cb 0.00 -2.13 0.05 0.00 0.41 0.00 0.00 41.25 39.58 2otj s ASN 11 CO 0.00 0.04 1.20 0.35 -1.51 0.00 0.00 177.10 177.17 2otj n THR 12 N 0.12 2.78 -2.83 1.60 -2.24 -1.26 -2.27 114.28 110.18 2otj n THR 12 Ca -0.02 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 2otj n THR 12 Cb 0.52 -1.25 0.06 0.00 -2.10 0.00 0.00 70.33 67.55 2otj n THR 12 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2otj n ASP 13 N -2.79 -1.85 0.00 3.42 -0.08 -0.17 -4.76 116.55 110.31 2otj n ASP 13 Ca 0.14 -3.48 0.00 0.00 -1.51 0.00 0.00 54.79 49.94 2otj n ASP 13 Cb 0.50 1.41 0.00 0.00 2.34 0.00 0.00 41.12 45.36 2otj n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2otj n GLY 14 N 0.65 -0.67 0.00 0.27 0.00 -1.26 -4.64 105.19 99.54 2otj n GLY 14 Ca 0.10 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2otj n GLY 14 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2otj n GLU 15 N 0.00 0.00 -4.40 1.61 0.28 -1.26 -3.20 120.64 113.66 2otj n GLU 15 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.79 2otj n GLU 15 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 2otj n GLU 15 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2otj s VAL 16 N -1.63 2.09 0.10 3.84 1.01 -0.70 -4.92 120.40 120.19 2otj s VAL 16 Ca 0.00 -2.29 -0.31 0.00 0.00 0.00 0.00 61.98 59.38 2otj s VAL 16 Cb 0.00 -2.16 -0.08 0.00 0.00 0.00 0.00 36.38 34.14 2otj s VAL 16 CO 0.00 -0.49 1.48 -1.81 0.00 0.00 0.00 175.10 174.29 2otj s ASP 17 N -3.37 6.73 -0.29 3.32 1.01 -1.26 0.02 116.67 122.83 2otj s ASP 17 Ca 0.26 2.39 -0.29 0.00 0.71 0.00 0.00 52.55 55.61 2otj s ASP 17 Cb -0.03 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.32 2otj s ASP 17 CO 0.11 -0.75 1.30 -0.22 0.21 0.00 0.00 175.17 175.82 2otj s LEU 18 N 1.65 3.89 0.87 1.23 2.96 0.16 -4.83 118.68 124.61 2otj s LEU 18 Ca 0.68 1.23 -0.15 0.00 -0.22 0.00 0.00 54.13 55.66 2otj s LEU 18 Cb -0.38 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.74 2otj s LEU 18 CO 0.30 -1.07 0.18 -0.81 -1.32 0.00 0.00 176.35 173.64 2otj n PRO 19 N 7.28 -0.04 -0.27 0.98 -0.04 -1.26 -3.70 135.00 137.95 2otj n PRO 19 Ca 0.15 0.02 0.07 0.00 -0.04 0.00 0.00 63.50 63.70 2otj n PRO 19 Cb 0.46 -1.64 0.22 0.00 -0.04 0.00 0.00 33.50 32.50 2otj n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2otj h ASP 20 N -1.01 0.22 -1.06 3.54 5.19 -1.94 -2.80 116.42 118.57 2otj h ASP 20 Ca -0.44 0.13 0.28 0.00 -0.62 0.00 0.00 57.03 56.38 2otj h ASP 20 Cb 1.31 0.13 -0.08 0.00 0.18 0.00 0.00 39.33 40.87 2otj h ASP 20 CO 0.35 0.04 0.70 -0.37 -3.12 0.00 0.00 179.24 176.84 2otj h VAL 21 N 0.39 0.50 0.00 -1.35 -1.51 -1.91 0.32 116.25 112.68 2otj h VAL 21 Ca 0.45 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.82 2otj h VAL 21 Cb 0.76 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.09 2otj h VAL 21 CO -0.47 0.06 0.00 0.49 -1.23 0.00 0.00 177.57 176.42 2otj n PHE 22 N -4.54 0.00 0.45 5.19 3.01 -1.06 -0.85 117.46 119.67 2otj n PHE 22 Ca 0.25 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.78 2otj n PHE 22 Cb 0.95 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.51 2otj n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2otj n GLU 23 N -0.95 1.33 -2.04 -1.08 1.02 0.11 -4.61 120.64 114.41 2otj n GLU 23 Ca 0.12 -1.51 -0.42 0.00 -0.02 0.00 0.00 57.16 55.33 2otj n GLU 23 Cb 0.06 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 2otj n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2otj s THR 24 N -1.17 3.04 0.20 2.62 2.01 -0.03 -4.92 115.64 117.39 2otj s THR 24 Ca 0.19 0.69 -0.32 0.00 0.31 0.00 0.00 61.69 62.56 2otj s THR 24 Cb 0.13 -3.44 -0.12 0.00 0.01 0.00 0.00 72.50 69.08 2otj s THR 24 CO 0.18 0.04 1.70 -2.16 -0.69 0.00 0.00 174.62 173.70 2otj s PRO 25 N 1.50 4.14 0.20 4.92 0.04 -1.26 -4.71 135.00 139.83 2otj s PRO 25 Ca 0.68 2.58 -0.32 0.00 0.04 0.00 0.00 61.00 63.98 2otj s PRO 25 Cb -0.39 -3.09 -0.13 0.00 0.04 0.00 0.00 34.50 30.93 2otj s PRO 25 CO 0.31 -0.74 1.66 0.28 0.04 0.00 0.00 177.00 178.55 2otj n VAL 26 N 3.99 0.14 -3.40 -0.36 0.31 -1.26 -4.79 118.33 112.95 2otj n VAL 26 Ca 0.16 -0.03 -0.26 0.00 -0.01 0.00 0.00 64.34 64.19 2otj n VAL 26 Cb 0.36 -1.83 -0.09 0.00 -0.91 0.00 0.00 33.84 31.37 2otj n VAL 26 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2otj n ARG 27 N 3.56 1.10 -0.13 5.55 3.00 -1.26 -4.97 116.66 123.50 2otj n ARG 27 Ca 0.15 -3.69 0.20 0.00 -0.00 0.00 0.00 57.85 54.51 2otj n ARG 27 Cb 0.33 -1.72 0.60 0.00 0.00 0.00 0.00 32.46 31.67 2otj n ARG 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2otj h SER 28 N 4.71 0.21 -0.44 6.15 4.64 -1.93 -0.64 113.55 126.24 2otj h SER 28 Ca 0.16 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 2otj h SER 28 Cb 0.82 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 2otj h SER 28 CO 0.55 0.10 -0.10 -2.24 -0.87 0.00 0.00 176.83 174.27 2otj h ASP 29 N 0.22 0.86 0.08 4.97 2.03 -1.93 0.13 116.42 122.77 2otj h ASP 29 Ca 0.36 -0.36 -0.17 0.00 -0.73 0.00 0.00 57.03 56.14 2otj h ASP 29 Cb 1.11 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.37 2otj h ASP 29 CO -0.08 1.02 -0.59 -0.07 -1.03 0.00 0.00 179.24 178.49 2otj h LEU 30 N 0.69 0.59 0.10 0.15 3.38 -1.60 -2.71 115.31 115.90 2otj h LEU 30 Ca 0.11 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2otj h LEU 30 Cb 0.64 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2otj h LEU 30 CO 0.04 1.04 -0.05 0.40 0.09 0.00 0.00 178.44 179.97 2otj h ILE 31 N 0.39 1.06 -0.65 1.22 2.04 -1.04 -2.44 117.51 118.09 2otj h ILE 31 Ca -0.00 -0.58 0.13 0.00 1.00 0.00 0.00 64.86 65.41 2otj h ILE 31 Cb 1.14 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 2otj h ILE 31 CO 0.11 0.14 0.44 1.23 0.00 0.00 0.00 178.15 180.07 2otj h GLY 32 N -0.40 0.50 1.07 5.37 0.00 -0.74 -0.67 103.07 108.20 2otj h GLY 32 Ca -0.01 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 2otj h GLY 32 CO 0.02 0.06 -0.26 1.70 0.00 0.00 0.00 176.54 178.06 2otj h LYS 33 N 0.32 0.89 -0.04 4.80 3.64 -1.25 -0.47 116.57 124.46 2otj h LYS 33 Ca 0.31 -0.42 -0.10 0.00 -1.27 0.00 0.00 60.65 59.17 2otj h LYS 33 Cb 0.78 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2otj h LYS 33 CO -0.08 1.07 -0.45 0.00 -2.27 0.00 0.00 179.45 177.72 2otj h ALA 34 N 0.80 1.19 -0.02 5.00 0.00 -0.68 -1.45 119.26 124.11 2otj h ALA 34 Ca 0.08 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 2otj h ALA 34 Cb 0.84 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.56 2otj h ALA 34 CO 0.07 0.58 -0.76 0.28 0.00 0.00 0.00 179.25 179.42 2otj h VAL 35 N 0.07 1.36 -1.00 0.00 2.07 -1.10 -2.65 116.25 114.99 2otj h VAL 35 Ca 0.00 -2.11 0.06 0.00 0.82 0.00 0.00 66.70 65.47 2otj h VAL 35 Cb 0.82 2.45 -0.07 0.00 -1.52 0.00 0.00 31.29 32.97 2otj h VAL 35 CO 0.06 0.63 0.65 0.03 0.02 0.00 0.00 177.57 178.97 2otj h ARG 36 N 0.13 1.15 -0.11 1.57 3.08 -0.84 -0.50 114.38 118.86 2otj h ARG 36 Ca -0.09 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 2otj h ARG 36 Cb 1.45 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 2otj h ARG 36 CO 0.15 0.76 -0.08 0.00 -1.07 0.00 0.00 179.97 179.73 2otj h ALA 37 N 1.45 0.15 -0.90 0.04 0.00 -1.30 -1.97 119.26 116.74 2otj h ALA 37 Ca 0.43 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2otj h ALA 37 Cb 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2otj h ALA 37 CO -0.17 -0.03 0.60 0.00 0.00 0.00 0.00 179.25 179.65 2otj h ALA 38 N 0.61 1.39 -0.15 0.00 0.00 -1.07 0.31 119.26 120.34 2otj h ALA 38 Ca 0.02 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2otj h ALA 38 Cb 0.58 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2otj h ALA 38 CO 0.02 0.54 -0.52 1.96 0.00 0.00 0.00 179.25 181.26 2otj h GLN 39 N 1.18 0.42 -0.06 0.00 4.20 -1.08 -3.23 115.11 116.55 2otj h GLN 39 Ca 0.34 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 2otj h GLN 39 Cb -0.07 0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.74 2otj h GLN 39 CO -0.09 0.84 -0.40 0.00 -0.67 0.00 0.00 178.83 178.51 2otj h ALA 40 N 1.11 0.12 0.00 3.87 0.00 -0.76 -3.28 119.26 120.33 2otj h ALA 40 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2otj h ALA 40 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2otj h ALA 40 CO 0.09 0.25 0.14 -0.91 0.00 0.00 0.00 179.25 178.82 2otj h ASN 41 N -0.13 0.00 -0.02 0.00 2.35 -0.97 -0.37 115.58 116.43 2otj h ASN 41 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2otj h ASN 41 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2otj h ASN 41 CO 0.08 0.00 -0.01 -2.11 -1.65 0.00 0.00 177.43 173.74 2otj n ARG 42 N -2.68 2.09 -2.36 0.81 1.85 -1.22 -4.94 116.66 110.20 2otj n ARG 42 Ca -0.02 -1.60 -0.41 0.00 -1.00 0.00 0.00 57.85 54.82 2otj n ARG 42 Cb 0.19 -1.47 -0.04 0.00 -1.05 0.00 0.00 32.46 30.10 2otj n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2otj s LYS 43 N -2.02 4.54 0.02 2.89 3.01 -0.15 -5.03 119.74 123.01 2otj s LYS 43 Ca 0.31 1.92 -0.13 0.00 -1.01 0.00 0.00 55.97 57.06 2otj s LYS 43 Cb 0.20 -3.17 -0.06 0.00 -1.01 0.00 0.00 37.83 33.79 2otj s LYS 43 CO 0.32 0.04 0.40 -0.65 0.51 0.00 0.00 175.35 175.97 2otj s GLN 44 N -1.23 3.85 0.64 1.68 -0.21 -1.26 -4.99 119.66 118.14 2otj s GLN 44 Ca 0.48 0.32 -0.17 0.00 0.02 0.00 0.00 55.36 56.00 2otj s GLN 44 Cb -0.34 -3.14 -0.01 0.00 1.00 0.00 0.00 33.01 30.52 2otj s GLN 44 CO 0.43 0.65 1.22 -0.51 -2.12 0.00 0.00 175.29 174.96 2otj s ASP 45 N -1.30 4.80 0.10 5.90 -0.00 -1.26 -5.03 116.67 119.88 2otj s ASP 45 Ca 0.27 2.42 -0.01 0.00 -0.00 0.00 0.00 52.55 55.22 2otj s ASP 45 Cb -0.16 -2.60 0.01 0.00 -0.00 0.00 0.00 42.92 40.17 2otj s ASP 45 CO 0.15 -1.86 0.16 0.00 -0.00 0.00 0.00 175.17 173.61 2otj n TYR 46 N -1.98 -0.88 0.00 4.23 0.18 -1.26 -5.02 117.16 112.43 2otj n TYR 46 Ca 0.14 -0.62 0.00 0.00 1.88 0.00 0.00 57.90 59.30 2otj n TYR 46 Cb 0.49 0.18 0.00 0.00 -0.38 0.00 0.00 39.34 39.63 2otj n TYR 46 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2otj n GLY 47 N -0.16 4.66 3.74 -7.48 0.00 -1.26 -1.14 105.19 103.56 2otj n GLY 47 Ca -0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 2otj n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2otj s SER 48 N 0.00 3.80 0.22 1.61 1.04 -1.23 -4.85 113.70 114.29 2otj s SER 48 Ca 0.00 1.45 -0.32 0.00 0.48 0.00 0.00 55.95 57.56 2otj s SER 48 Cb 0.00 -2.14 -0.12 0.00 0.10 0.00 0.00 66.02 63.86 2otj s SER 48 CO 0.00 -2.42 1.68 -0.67 0.98 0.00 0.00 173.24 172.80 2otj n ASP 49 N -3.74 3.83 -0.26 7.02 -0.08 -1.26 -4.87 116.55 117.18 2otj n ASP 49 Ca 0.07 1.08 0.21 0.00 -1.51 0.00 0.00 54.79 54.64 2otj n ASP 49 Cb 0.55 -1.55 0.54 0.00 2.34 0.00 0.00 41.12 43.00 2otj n ASP 49 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2otj h GLU 50 N 6.27 0.34 -0.23 -0.67 4.39 -1.99 -2.17 114.58 120.53 2otj h GLU 50 Ca -0.44 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2otj h GLU 50 Cb 1.21 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2otj h GLU 50 CO 0.92 0.23 0.00 0.66 -1.16 0.00 0.00 179.01 179.65 2otj n TYR 51 N -4.50 0.28 -1.68 4.33 4.02 -1.26 -4.94 117.16 113.41 2otj n TYR 51 Ca 0.21 -0.15 -0.47 0.00 -0.01 0.00 0.00 57.90 57.48 2otj n TYR 51 Cb 0.78 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.06 2otj n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2otj n ALA 52 N 1.38 1.01 -0.48 -0.72 0.00 -0.82 -0.32 120.51 120.56 2otj n ALA 52 Ca 0.16 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2otj n ALA 52 Cb 0.58 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.53 2otj n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otj n GLY 53 N 4.32 1.16 0.40 0.00 0.00 -1.26 -4.15 105.19 105.66 2otj n GLY 53 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.33 2otj n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2otj n LEU 54 N 0.00 1.76 -3.84 0.99 4.77 0.56 -3.66 117.00 117.58 2otj n LEU 54 Ca 0.00 -0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 54.81 2otj n LEU 54 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2otj n LEU 54 CO 0.00 0.34 2.23 0.54 -1.33 0.00 0.00 177.39 179.16 2otj n ARG 55 N -0.16 3.31 -3.60 3.23 1.74 -1.24 -4.84 116.66 115.11 2otj n ARG 55 Ca 0.08 -3.17 -0.11 0.00 -0.77 0.00 0.00 57.85 53.88 2otj n ARG 55 Cb 0.39 -3.08 -0.06 0.00 -1.02 0.00 0.00 32.46 28.69 2otj n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2otj s THR 56 N 1.60 0.00 -0.98 0.55 -1.32 -1.26 -5.03 115.64 109.19 2otj s THR 56 Ca 0.43 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.05 2otj s THR 56 Cb 0.11 -1.00 0.63 0.00 -1.51 0.00 0.00 72.50 70.73 2otj s THR 56 CO -0.03 0.00 1.50 -0.81 -2.21 0.00 0.00 174.62 173.07 2otj n PRO 57 N 1.36 3.55 -1.50 7.08 -0.04 -1.26 -5.00 135.00 139.19 2otj n PRO 57 Ca -0.12 -2.45 -0.54 0.00 -0.04 0.00 0.00 63.50 60.35 2otj n PRO 57 Cb 0.57 -1.89 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 2otj n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2otj n ALA 58 N 0.80 -2.77 -2.36 0.55 0.00 -1.26 -4.99 120.51 110.48 2otj n ALA 58 Ca 0.22 0.53 -0.19 0.00 0.00 0.00 0.00 53.44 54.01 2otj n ALA 58 Cb 0.84 -1.80 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 2otj n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2otj s GLU 59 N -0.24 1.30 -0.10 0.00 2.02 -0.72 -4.65 118.70 116.32 2otj s GLU 59 Ca 0.81 -1.56 -0.13 0.00 0.02 0.00 0.00 54.97 54.12 2otj s GLU 59 Cb -1.10 -1.12 -0.05 0.00 0.10 0.00 0.00 34.13 31.97 2otj s GLU 59 CO 0.55 0.19 0.31 0.45 0.02 0.00 0.00 175.26 176.78 2otj s SER 60 N -3.22 6.56 0.52 -0.19 0.15 -1.26 0.58 113.70 116.84 2otj s SER 60 Ca 0.21 0.67 0.31 0.00 0.70 0.00 0.00 55.95 57.84 2otj s SER 60 Cb -0.01 -2.19 1.15 0.00 -1.71 0.00 0.00 66.02 63.26 2otj s SER 60 CO 0.06 0.23 1.91 -0.26 1.20 0.00 0.00 173.24 176.39 2otj h PHE 61 N 5.67 0.00 0.00 3.44 -1.00 -1.91 -3.49 116.94 119.65 2otj h PHE 61 Ca -0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.31 2otj h PHE 61 Cb 1.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.76 2otj h PHE 61 CO 0.67 0.04 0.00 0.41 -1.61 0.00 0.00 178.31 177.82 2otj n GLY 62 N 0.20 -1.60 3.78 -1.45 0.00 -1.26 -4.88 105.19 99.98 2otj n GLY 62 Ca 0.01 -1.36 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 2otj n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2otj s SER 63 N -4.00 5.46 0.00 1.61 0.01 -1.26 -4.58 113.70 110.94 2otj s SER 63 Ca 0.00 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.25 2otj s SER 63 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2otj s SER 63 CO 0.00 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 172.87 2otj n GLY 64 N -0.46 1.93 0.77 3.44 0.00 -1.26 -5.01 105.19 104.60 2otj n GLY 64 Ca 0.10 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.95 2otj n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2otj n ARG 65 N 0.00 1.55 -3.71 1.61 1.85 -1.26 -4.95 116.66 111.74 2otj n ARG 65 Ca 0.00 -3.23 -0.26 0.00 -1.00 0.00 0.00 57.85 53.36 2otj n ARG 65 Cb 0.00 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 29.97 2otj n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2otj n GLY 66 N -0.94 -0.53 3.29 2.89 0.00 -1.26 -4.98 105.19 103.65 2otj n GLY 66 Ca 0.19 0.24 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 2otj n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2otj s GLN 67 N -6.42 1.13 0.25 1.61 2.00 -1.26 -5.12 119.66 111.86 2otj s GLN 67 Ca 0.61 -1.17 -0.30 0.00 -2.00 0.00 0.00 55.36 52.50 2otj s GLN 67 Cb -0.28 -1.40 -0.09 0.00 0.80 0.00 0.00 33.01 32.04 2otj s GLN 67 CO 0.77 0.32 1.05 0.00 -0.50 0.00 0.00 175.29 176.93 2otj s ALA 68 N -1.17 3.38 -0.85 1.58 0.00 -1.26 -4.85 121.76 118.59 2otj s ALA 68 Ca 0.07 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 52.58 2otj s ALA 68 Cb -0.10 -3.29 -0.18 0.00 0.00 0.00 0.00 23.12 19.55 2otj s ALA 68 CO 0.04 -0.05 1.90 0.72 0.00 0.00 0.00 175.76 178.38 2otj n HIS 69 N 1.42 1.74 -5.20 0.00 -0.00 -1.26 -4.86 115.22 107.06 2otj n HIS 69 Ca -0.01 -1.22 -0.32 0.00 -0.00 0.00 0.00 57.72 56.17 2otj n HIS 69 Cb 0.46 -2.03 -0.17 0.00 -0.00 0.00 0.00 29.99 28.25 2otj n HIS 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2otj s VAL 70 N 9.47 2.06 0.12 1.59 1.01 -1.26 -4.99 120.40 128.39 2otj s VAL 70 Ca 0.67 -1.02 -0.34 0.00 0.00 0.00 0.00 61.98 61.30 2otj s VAL 70 Cb 0.06 -1.78 -0.13 0.00 0.00 0.00 0.00 36.38 34.53 2otj s VAL 70 CO 0.17 0.56 1.65 -2.65 0.00 0.00 0.00 175.10 174.83 2otj n PRO 71 N 3.54 2.22 -4.16 2.72 -0.02 -1.26 -4.42 135.00 133.62 2otj n PRO 71 Ca -0.19 0.80 -0.14 0.00 -2.02 0.00 0.00 63.50 61.95 2otj n PRO 71 Cb 0.53 -2.59 -0.11 0.00 -0.02 0.00 0.00 33.50 31.31 2otj n PRO 71 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2otj s LYS 72 N 1.55 0.79 -0.16 -0.52 1.02 0.20 -0.42 119.74 122.19 2otj s LYS 72 Ca 0.81 -1.11 -0.06 0.00 0.02 0.00 0.00 55.97 55.63 2otj s LYS 72 Cb -0.66 -0.46 0.07 0.00 -0.52 0.00 0.00 37.83 36.26 2otj s LYS 72 CO 0.40 0.07 0.34 -1.17 -0.92 0.00 0.00 175.35 174.07 2otj s LEU 73 N -2.36 -0.35 -1.26 3.17 2.96 0.11 -1.76 118.68 119.19 2otj s LEU 73 Ca 0.03 0.79 -0.02 0.00 -0.22 0.00 0.00 54.13 54.71 2otj s LEU 73 Cb -0.03 1.05 0.00 0.00 0.50 0.00 0.00 46.19 47.71 2otj s LEU 73 CO -0.01 -0.22 0.29 0.47 -1.32 0.00 0.00 176.35 175.56 2otj n ASP 74 N 5.14 -4.96 0.00 3.68 8.00 -1.26 -2.04 116.55 125.11 2otj n ASP 74 Ca -0.11 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.25 2otj n ASP 74 Cb 0.51 -3.91 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 2otj n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2otj n GLY 75 N -1.22 0.46 3.53 0.44 0.00 -1.26 -5.00 105.19 102.14 2otj n GLY 75 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2otj n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2otj s ARG 76 N -0.46 3.76 0.39 1.61 3.00 -0.87 -5.09 118.95 121.29 2otj s ARG 76 Ca 0.00 -0.47 -0.25 0.00 0.00 0.00 0.00 55.73 55.01 2otj s ARG 76 Cb 0.00 -3.03 -0.09 0.00 0.00 0.00 0.00 34.95 31.84 2otj s ARG 76 CO 0.00 0.22 1.12 0.00 0.00 0.00 0.00 175.30 176.64 2otj s ALA 77 N 0.45 3.14 0.32 2.13 0.00 -1.26 0.07 121.76 126.61 2otj s ALA 77 Ca -0.01 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 2otj s ALA 77 Cb -0.14 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 2otj s ALA 77 CO 0.02 -0.39 0.41 1.03 0.00 0.00 0.00 175.76 176.84 2otj s ARG 78 N -2.32 1.81 0.00 0.00 3.00 0.44 -4.73 118.95 117.15 2otj s ARG 78 Ca 0.57 -1.76 0.00 0.00 0.00 0.00 0.00 55.73 54.54 2otj s ARG 78 Cb -0.27 0.41 0.00 0.00 0.00 0.00 0.00 34.95 35.09 2otj s ARG 78 CO 0.34 -0.73 0.00 -2.13 0.00 0.00 0.00 175.30 172.79 2otj n ARG 79 N -0.54 0.00 -1.49 3.54 0.63 -1.24 -4.53 116.66 113.03 2otj n ARG 79 Ca 0.02 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.51 2otj n ARG 79 Cb 0.62 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.52 2otj n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2otj n VAL 80 N 0.00 1.89 -0.28 5.15 0.24 -1.26 0.13 118.33 124.20 2otj n VAL 80 Ca 0.00 -0.50 0.25 0.00 -2.04 0.00 0.00 64.34 62.05 2otj n VAL 80 Cb 0.00 -0.56 0.58 0.00 -1.47 0.00 0.00 33.84 32.39 2otj n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2otj h PRO 81 N 1.28 0.26 -0.01 7.34 0.11 -1.89 -0.57 132.00 138.52 2otj h PRO 81 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2otj h PRO 81 Cb 1.39 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2otj h PRO 81 CO 0.56 0.17 0.00 0.00 -0.21 0.00 0.00 178.00 178.52 2otj n GLN 82 N -4.46 1.25 -3.89 1.05 0.00 -1.26 -4.83 117.38 105.24 2otj n GLN 82 Ca 0.22 -0.37 -0.37 0.00 0.00 0.00 0.00 57.00 56.49 2otj n GLN 82 Cb 0.90 -1.47 -0.06 0.00 0.00 0.00 0.00 30.24 29.61 2otj n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2otj s ALA 83 N -1.99 3.87 0.30 2.61 0.00 -0.22 -5.03 121.76 121.29 2otj s ALA 83 Ca 0.42 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 2otj s ALA 83 Cb 0.21 -1.95 -0.11 0.00 0.00 0.00 0.00 23.12 21.26 2otj s ALA 83 CO 0.34 0.62 1.55 0.08 0.00 0.00 0.00 175.76 178.35 2otj s VAL 84 N -1.03 2.17 0.00 0.00 1.01 -1.26 -0.09 120.40 121.19 2otj s VAL 84 Ca 0.15 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2otj s VAL 84 Cb -0.12 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2otj s VAL 84 CO 0.04 0.03 0.00 0.29 0.00 0.00 0.00 175.10 175.46 2otj n LYS 85 N 1.92 -0.07 -1.85 2.72 4.76 -1.26 -4.73 118.16 119.65 2otj n LYS 85 Ca 0.07 0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.22 2otj n LYS 85 Cb 0.38 -2.91 0.04 0.00 -1.84 0.00 0.00 35.03 30.71 2otj n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2otj s GLY 86 N -2.00 1.63 0.87 0.72 0.00 0.87 -4.42 107.32 104.99 2otj s GLY 86 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 44.72 44.32 2otj s GLY 86 CO 0.00 0.07 1.13 -0.96 0.00 0.00 0.00 173.10 173.34 2otj n ARG 87 N -3.01 -0.18 -3.06 2.90 1.85 0.34 -4.77 116.66 110.73 2otj n ARG 87 Ca 0.07 0.02 -0.41 0.00 -1.00 0.00 0.00 57.85 56.53 2otj n ARG 87 Cb 0.57 -2.37 -0.06 0.00 -1.05 0.00 0.00 32.46 29.54 2otj n ARG 87 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2otj s SER 88 N -2.38 6.62 0.13 2.89 0.15 -1.26 -3.95 113.70 115.90 2otj s SER 88 Ca 0.69 0.73 -0.29 0.00 0.70 0.00 0.00 55.95 57.78 2otj s SER 88 Cb -0.26 -2.36 -0.07 0.00 -1.71 0.00 0.00 66.02 61.63 2otj s SER 88 CO 0.55 -0.43 1.59 0.00 1.20 0.00 0.00 173.24 176.15 2otj h ALA 89 N 7.91 -0.62 -2.13 5.45 0.00 -1.93 -3.35 119.26 124.59 2otj h ALA 89 Ca -0.26 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 54.05 2otj h ALA 89 Cb 1.11 0.74 -0.40 0.00 0.00 0.00 0.00 17.79 19.25 2otj h ALA 89 CO 0.80 -0.93 -0.94 0.72 0.00 0.00 0.00 179.25 178.90 2otj n HIS 90 N -5.44 0.78 -2.10 0.00 8.25 -1.26 -5.13 115.22 110.32 2otj n HIS 90 Ca -0.05 -3.72 -0.28 0.00 -0.26 0.00 0.00 57.72 53.41 2otj n HIS 90 Cb 0.36 -0.35 0.14 0.00 1.12 0.00 0.00 29.99 31.26 2otj n HIS 90 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2otj s PRO 91 N -1.40 1.21 0.58 -0.41 0.04 -1.26 -5.02 135.00 128.74 2otj s PRO 91 Ca 0.36 -0.47 -0.20 0.00 0.04 0.00 0.00 61.00 60.72 2otj s PRO 91 Cb 0.14 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 2otj s PRO 91 CO -0.10 -1.97 1.34 -2.14 0.04 0.00 0.00 177.00 174.17 2otj s PRO 92 N -5.62 2.94 -0.03 0.56 0.02 -1.26 -4.98 135.00 126.64 2otj s PRO 92 Ca 0.69 2.18 0.02 0.00 0.02 0.00 0.00 61.00 63.91 2otj s PRO 92 Cb -0.06 -2.12 0.01 0.00 0.02 0.00 0.00 34.50 32.35 2otj s PRO 92 CO 0.50 -1.33 -0.08 0.15 -0.33 0.00 0.00 177.00 175.91 2otj s LYS 93 N -3.07 0.91 0.21 5.54 1.02 -1.25 -3.56 119.74 119.54 2otj s LYS 93 Ca 0.75 -0.27 -0.09 0.00 0.02 0.00 0.00 55.97 56.38 2otj s LYS 93 Cb -0.39 -0.86 0.24 0.00 -0.52 0.00 0.00 37.83 36.30 2otj s LYS 93 CO 0.45 0.08 1.80 1.15 -0.92 0.00 0.00 175.35 177.92 2otj h THR 94 N 5.47 0.96 0.00 2.17 2.02 -1.46 -2.68 112.91 119.40 2otj h THR 94 Ca -0.33 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2otj h THR 94 Cb 1.17 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2otj h THR 94 CO 0.49 0.12 0.22 -0.33 0.37 0.00 0.00 175.52 176.39 2otj h GLU 95 N 0.67 0.00 -6.84 6.66 3.07 -1.96 -3.44 114.58 112.74 2otj h GLU 95 Ca 0.30 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.63 2otj h GLU 95 Cb 0.19 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 28.18 2otj h GLU 95 CO -0.19 0.00 0.72 0.21 -1.40 0.00 0.00 179.01 178.36 2otj s LYS 96 N -4.03 4.26 -0.44 2.33 2.20 -1.01 -4.96 119.74 118.10 2otj s LYS 96 Ca -0.04 2.34 -0.24 0.00 -0.36 0.00 0.00 55.97 57.67 2otj s LYS 96 Cb 0.09 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.38 2otj s LYS 96 CO 0.30 -0.37 0.86 0.34 -0.36 0.00 0.00 175.35 176.12 2otj s ASP 97 N -0.05 6.48 -0.14 1.43 3.68 -1.26 -4.90 116.67 121.91 2otj s ASP 97 Ca 0.54 0.09 0.17 0.00 2.13 0.00 0.00 52.55 55.48 2otj s ASP 97 Cb -0.42 -2.42 0.71 0.00 -1.45 0.00 0.00 42.92 39.34 2otj s ASP 97 CO 0.51 -0.96 1.63 0.54 0.13 0.00 0.00 175.17 177.03 2otj n ARG 98 N 6.90 3.92 -3.99 4.34 1.74 -1.26 -4.96 116.66 123.35 2otj n ARG 98 Ca 0.04 -2.92 -0.23 0.00 -0.77 0.00 0.00 57.85 53.98 2otj n ARG 98 Cb 0.48 -1.96 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 2otj n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2otj s SER 99 N -0.98 6.16 -0.03 0.55 1.04 -1.26 -4.49 113.70 114.69 2otj s SER 99 Ca 0.50 0.03 0.06 0.00 0.48 0.00 0.00 55.95 57.03 2otj s SER 99 Cb 0.34 -1.78 -0.01 0.00 0.10 0.00 0.00 66.02 64.67 2otj s SER 99 CO 0.21 -0.03 -0.22 -0.76 0.98 0.00 0.00 173.24 173.42 2otj s LEU 100 N -3.75 2.03 0.37 2.42 1.43 -1.26 -5.01 118.68 114.91 2otj s LEU 100 Ca 0.34 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2otj s LEU 100 Cb -0.09 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 2otj s LEU 100 CO 0.28 0.25 0.61 -1.81 0.23 0.00 0.00 176.35 175.91 2otj s ASP 101 N -0.37 6.31 -0.24 2.29 1.11 -1.26 -4.91 116.67 119.60 2otj s ASP 101 Ca 0.05 0.62 -0.11 0.00 0.18 0.00 0.00 52.55 53.28 2otj s ASP 101 Cb -0.10 -2.11 0.09 0.00 1.07 0.00 0.00 42.92 41.87 2otj s ASP 101 CO 0.00 -0.35 0.57 -0.22 1.18 0.00 0.00 175.17 176.35 2otj s LEU 102 N -4.29 -0.72 0.42 1.23 2.96 -1.26 -5.05 118.68 111.97 2otj s LEU 102 Ca 0.43 1.29 -0.26 0.00 -0.22 0.00 0.00 54.13 55.36 2otj s LEU 102 Cb -0.10 1.94 -0.09 0.00 0.50 0.00 0.00 46.19 48.44 2otj s LEU 102 CO 0.37 -0.22 1.37 0.20 -1.32 0.00 0.00 176.35 176.75 2otj s ASN 103 N 2.01 6.15 0.22 3.68 -0.87 -1.26 -4.84 114.94 120.03 2otj s ASN 103 Ca -0.08 2.80 -0.08 0.00 -1.57 0.00 0.00 52.86 53.93 2otj s ASN 103 Cb -0.09 -2.65 0.27 0.00 -0.02 0.00 0.00 41.25 38.76 2otj s ASN 103 CO -0.17 -0.98 1.82 0.44 -2.57 0.00 0.00 177.10 175.65 2otj h ASP 104 N 2.59 0.65 -0.36 -1.22 3.32 -2.00 0.47 116.42 119.86 2otj h ASP 104 Ca -0.50 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 2otj h ASP 104 Cb 1.25 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 2otj h ASP 104 CO 0.62 0.42 0.19 0.11 -1.72 0.00 0.00 179.24 178.86 2otj h LYS 105 N 0.78 0.51 -0.68 3.56 1.57 -1.99 0.43 116.57 120.76 2otj h LYS 105 Ca 0.32 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2otj h LYS 105 Cb 0.17 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2otj h LYS 105 CO -0.17 0.44 0.34 1.49 -0.57 0.00 0.00 179.45 180.98 2otj h GLU 106 N 0.46 0.96 -0.00 3.15 4.81 -1.82 -0.90 114.58 121.22 2otj h GLU 106 Ca 0.13 -0.12 -0.25 0.00 -0.13 0.00 0.00 59.36 58.99 2otj h GLU 106 Cb 0.08 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 29.30 2otj h GLU 106 CO -0.02 0.73 -0.96 -0.09 -0.73 0.00 0.00 179.01 177.94 2otj h ARG 107 N 0.96 0.66 -0.46 1.92 2.43 -0.32 -3.05 114.38 116.51 2otj h ARG 107 Ca 0.24 -0.70 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 2otj h ARG 107 Cb 0.07 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2otj h ARG 107 CO -0.03 1.29 0.17 1.96 -1.51 0.00 0.00 179.97 181.84 2otj h GLN 108 N 0.31 0.70 -0.81 0.20 4.20 0.05 -2.04 115.11 117.72 2otj h GLN 108 Ca -0.12 -0.14 0.06 0.00 0.06 0.00 0.00 58.65 58.52 2otj h GLN 108 Cb 1.62 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 29.24 2otj h GLN 108 CO 0.19 0.65 0.53 1.25 -0.67 0.00 0.00 178.83 180.78 2otj h LEU 109 N 0.61 0.78 -0.68 1.46 5.85 -1.23 0.08 115.31 122.18 2otj h LEU 109 Ca 0.15 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 2otj h LEU 109 Cb 0.22 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2otj h LEU 109 CO -0.01 0.50 -0.19 0.00 -0.34 0.00 0.00 178.44 178.41 2otj h ALA 110 N 1.56 0.86 -0.43 1.25 0.00 -1.36 0.05 119.26 121.20 2otj h ALA 110 Ca 0.35 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2otj h ALA 110 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2otj h ALA 110 CO -0.12 0.64 0.26 0.28 0.00 0.00 0.00 179.25 180.30 2otj h VAL 111 N 0.73 1.14 -0.36 0.00 2.07 -0.32 -1.17 116.25 118.33 2otj h VAL 111 Ca 0.11 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2otj h VAL 111 Cb 0.71 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2otj h VAL 111 CO 0.05 0.14 0.14 0.03 0.02 0.00 0.00 177.57 177.96 2otj h ARG 112 N 0.57 0.54 -0.20 1.57 3.08 -0.98 -2.18 114.38 116.78 2otj h ARG 112 Ca 0.15 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2otj h ARG 112 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2otj h ARG 112 CO -0.03 0.53 -0.01 1.03 -1.07 0.00 0.00 179.97 180.42 2otj h SER 113 N 0.44 0.27 -0.27 7.04 0.87 -0.72 -0.97 113.55 120.21 2otj h SER 113 Ca 0.12 -0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.47 2otj h SER 113 Cb 0.19 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2otj h SER 113 CO -0.01 0.33 -0.50 0.00 -0.53 0.00 0.00 176.83 176.12 2otj h ALA 114 N 1.71 0.43 0.09 6.23 0.00 -0.95 -1.51 119.26 125.25 2otj h ALA 114 Ca 0.07 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2otj h ALA 114 Cb 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2otj h ALA 114 CO 0.00 0.61 -0.14 1.25 0.00 0.00 0.00 179.25 180.97 2otj h LEU 115 N 0.58 -0.39 -1.41 0.00 5.85 -0.75 -2.17 115.31 117.03 2otj h LEU 115 Ca 0.01 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.89 2otj h LEU 115 Cb 1.11 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 2otj h LEU 115 CO 0.11 -0.21 0.51 0.00 -0.34 0.00 0.00 178.44 178.51 2otj h ALA 116 N 0.59 1.85 0.00 1.25 0.00 -1.10 0.16 119.26 122.00 2otj h ALA 116 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2otj h ALA 116 Cb 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2otj h ALA 116 CO -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.16 2otj h ALA 117 N 1.62 1.00 -0.06 0.00 0.00 -0.63 -2.56 119.26 118.63 2otj h ALA 117 Ca 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 2otj h ALA 117 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2otj h ALA 117 CO -0.14 0.00 -0.49 1.15 0.00 0.00 0.00 179.25 179.77 2otj h THR 118 N 0.00 1.35 -0.02 0.00 2.02 -0.38 -3.15 112.91 112.72 2otj h THR 118 Ca 0.00 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.47 2otj h THR 118 Cb 0.42 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 2otj h THR 118 CO 0.00 0.50 0.00 0.00 0.37 0.00 0.00 175.52 176.39 2otj n ALA 119 N -2.46 2.61 -3.69 6.16 0.00 -0.96 -3.35 120.51 118.81 2otj n ALA 119 Ca -0.02 -0.19 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 2otj n ALA 119 Cb 0.53 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 2otj n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2otj s ASP 120 N -1.64 5.42 0.41 0.00 -1.08 -1.19 -4.65 116.67 113.94 2otj s ASP 120 Ca 0.31 -2.26 0.21 0.00 -0.52 0.00 0.00 52.55 50.29 2otj s ASP 120 Cb 0.15 -1.90 1.17 0.00 -1.46 0.00 0.00 42.92 40.88 2otj s ASP 120 CO 0.24 -0.53 1.76 0.00 0.52 0.00 0.00 175.17 177.16 2otj h ALA 121 N 7.86 2.34 -0.28 3.66 0.00 -1.84 -0.84 119.26 130.15 2otj h ALA 121 Ca -0.11 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2otj h ALA 121 Cb 1.03 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2otj h ALA 121 CO 0.74 -0.76 -0.06 -0.44 0.00 0.00 0.00 179.25 178.73 2otj h ASP 122 N 0.33 0.54 0.36 0.00 3.32 -1.94 -2.11 116.42 116.92 2otj h ASP 122 Ca 0.61 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 2otj h ASP 122 Cb 1.65 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.06 2otj h ASP 122 CO -0.29 0.77 -0.17 -0.07 -1.72 0.00 0.00 179.24 177.76 2otj h LEU 123 N 0.30 -0.41 -1.66 1.55 3.38 -1.52 -0.59 115.31 116.36 2otj h LEU 123 Ca 0.07 -0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.24 2otj h LEU 123 Cb 0.53 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 2otj h LEU 123 CO 0.03 -0.27 0.57 0.58 0.09 0.00 0.00 178.44 179.43 2otj h VAL 124 N -0.51 0.68 0.00 1.22 2.07 -1.34 0.24 116.25 118.61 2otj h VAL 124 Ca -0.05 -0.10 -0.22 0.00 0.82 0.00 0.00 66.70 67.15 2otj h VAL 124 Cb 0.39 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2otj h VAL 124 CO 0.08 0.05 -1.04 0.00 0.02 0.00 0.00 177.57 176.68 2otj h ALA 125 N 1.62 0.37 -0.07 1.67 0.00 -0.99 -3.20 119.26 118.66 2otj h ALA 125 Ca 0.42 -0.94 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 2otj h ALA 125 Cb 1.20 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2otj h ALA 125 CO -0.12 1.26 -0.79 -0.44 0.00 0.00 0.00 179.25 179.17 2otj h ASP 126 N 0.00 0.56 -0.15 0.00 3.32 0.94 -2.97 116.42 118.12 2otj h ASP 126 Ca -0.03 -0.39 0.04 0.00 0.02 0.00 0.00 57.03 56.68 2otj h ASP 126 Cb 1.79 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.16 2otj h ASP 126 CO 0.13 1.15 0.11 -0.09 -1.72 0.00 0.00 179.24 178.81 2otj h ARG 127 N 0.30 0.00 0.00 3.56 2.43 -0.78 -3.46 114.38 116.44 2otj h ARG 127 Ca -0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2otj h ARG 127 Cb 1.38 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 2otj h ARG 127 CO 0.14 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.01 2otj n GLY 128 N -1.57 1.30 3.66 2.80 0.00 -1.12 -5.12 105.19 105.14 2otj n GLY 128 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 2otj n GLY 128 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2otj n HIS 129 N 0.00 1.98 -3.66 1.61 8.25 -1.21 -4.98 115.22 117.21 2otj n HIS 129 Ca 0.00 0.57 -0.38 0.00 -0.26 0.00 0.00 57.72 57.66 2otj n HIS 129 Cb 0.00 -2.38 -0.12 0.00 1.12 0.00 0.00 29.99 28.62 2otj n HIS 129 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2otj s GLU 130 N -1.52 3.68 0.22 -0.41 0.41 -1.26 -4.62 118.70 115.20 2otj s GLU 130 Ca 0.59 -0.49 -0.19 0.00 -0.41 0.00 0.00 54.97 54.47 2otj s GLU 130 Cb -0.62 -3.52 0.03 0.00 -1.78 0.00 0.00 34.13 28.24 2otj s GLU 130 CO 0.59 -0.25 0.61 -0.59 -0.49 0.00 0.00 175.26 175.13 2otj s PHE 131 N 1.67 -0.19 -0.58 1.61 -0.12 -1.26 -0.96 117.98 118.16 2otj s PHE 131 Ca 0.06 -0.17 0.06 0.00 -0.05 0.00 0.00 56.93 56.82 2otj s PHE 131 Cb -0.16 0.52 0.21 0.00 -0.63 0.00 0.00 43.02 42.96 2otj s PHE 131 CO 0.07 -1.03 0.54 -0.25 -0.05 0.00 0.00 175.22 174.51 2otj n ASP 132 N -0.39 2.06 -3.76 1.98 8.00 -0.14 -5.04 116.55 119.26 2otj n ASP 132 Ca -0.09 -3.03 -0.10 0.00 0.71 0.00 0.00 54.79 52.29 2otj n ASP 132 Cb 0.62 -0.67 -0.07 0.00 -0.02 0.00 0.00 41.12 40.98 2otj n ASP 132 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2otj s ARG 133 N -1.41 0.89 -0.20 -1.24 3.52 -1.26 -4.74 118.95 114.50 2otj s ARG 133 Ca 0.33 -0.71 -0.08 0.00 -0.13 0.00 0.00 55.73 55.14 2otj s ARG 133 Cb 0.07 0.38 -0.09 0.00 -1.56 0.00 0.00 34.95 33.74 2otj s ARG 133 CO -0.12 -0.30 -0.24 -0.25 -0.81 0.00 0.00 175.30 173.57 2otj n ASP 134 N 0.16 1.63 -4.82 -2.12 8.00 -1.26 -4.99 116.55 113.15 2otj n ASP 134 Ca -0.17 0.18 -0.33 0.00 0.71 0.00 0.00 54.79 55.19 2otj n ASP 134 Cb 0.62 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 41.17 2otj n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2otj s GLU 135 N -2.37 3.56 -0.29 -1.24 2.02 -1.26 -4.70 118.70 114.41 2otj s GLU 135 Ca -0.28 1.13 -0.23 0.00 0.02 0.00 0.00 54.97 55.61 2otj s GLU 135 Cb 0.10 -2.07 0.17 0.00 0.10 0.00 0.00 34.13 32.43 2otj s GLU 135 CO 0.37 -0.61 1.26 0.54 0.02 0.00 0.00 175.26 176.84 2otj s VAL 136 N -2.48 0.00 1.06 2.63 0.11 -1.26 -4.74 120.40 115.72 2otj s VAL 136 Ca 0.62 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.55 2otj s VAL 136 Cb -0.14 -1.00 0.23 0.00 -1.53 0.00 0.00 36.38 33.94 2otj s VAL 136 CO 0.34 0.00 1.07 -2.16 -3.33 0.00 0.00 175.10 171.01 2otj s PRO 137 N 0.30 -0.12 -0.16 1.54 0.04 -1.21 -4.19 135.00 131.20 2otj s PRO 137 Ca 0.03 0.93 -0.24 0.00 0.04 0.00 0.00 61.00 61.76 2otj s PRO 137 Cb -0.05 -1.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.83 2otj s PRO 137 CO -0.12 -3.21 0.75 0.08 0.04 0.00 0.00 177.00 174.54 2otj s VAL 138 N -2.62 4.95 -0.12 -0.36 1.01 -1.21 -4.96 120.40 117.09 2otj s VAL 138 Ca 0.67 1.47 -0.02 0.00 0.00 0.00 0.00 61.98 64.10 2otj s VAL 138 Cb -0.23 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 2otj s VAL 138 CO 0.61 0.10 -0.06 -0.69 0.00 0.00 0.00 175.10 175.07 2otj s VAL 139 N 1.80 3.77 0.12 2.92 1.01 -1.26 -0.65 120.40 128.11 2otj s VAL 139 Ca 0.35 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.96 2otj s VAL 139 Cb -0.17 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2otj s VAL 139 CO 0.13 0.54 -0.12 -0.69 0.00 0.00 0.00 175.10 174.95 2otj s VAL 140 N -0.07 1.21 0.53 2.92 1.01 -0.86 -1.88 120.40 123.26 2otj s VAL 140 Ca 0.01 -1.78 -0.20 0.00 0.00 0.00 0.00 61.98 60.01 2otj s VAL 140 Cb -0.13 -1.56 -0.06 0.00 0.00 0.00 0.00 36.38 34.62 2otj s VAL 140 CO 0.03 -0.52 1.14 -0.94 0.00 0.00 0.00 175.10 174.80 2otj s SER 141 N -2.62 5.79 0.22 3.32 1.04 -0.42 -0.14 113.70 120.89 2otj s SER 141 Ca 0.10 2.21 0.10 0.00 0.48 0.00 0.00 55.95 58.84 2otj s SER 141 Cb -0.03 -2.59 0.54 0.00 0.10 0.00 0.00 66.02 64.05 2otj s SER 141 CO 0.02 -1.18 1.19 0.47 0.98 0.00 0.00 173.24 174.73 2otj n ASP 142 N -1.15 0.26 0.07 7.02 8.00 -1.26 -1.05 116.55 128.44 2otj n ASP 142 Ca 0.11 0.51 0.08 0.00 0.71 0.00 0.00 54.79 56.20 2otj n ASP 142 Cb 0.50 -0.49 0.35 0.00 -0.02 0.00 0.00 41.12 41.47 2otj n ASP 142 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2otj n ASP 143 N -1.85 0.30 0.02 -2.24 8.00 -1.26 -1.95 116.55 117.57 2otj n ASP 143 Ca -0.01 0.59 -0.00 0.00 0.71 0.00 0.00 54.79 56.09 2otj n ASP 143 Cb 0.24 -0.65 0.30 0.00 -0.02 0.00 0.00 41.12 40.99 2otj n ASP 143 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2otj h PHE 144 N 0.00 0.49 0.00 1.24 3.57 -1.45 -2.07 116.94 118.72 2otj h PHE 144 Ca 0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2otj h PHE 144 Cb 0.20 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2otj h PHE 144 CO 0.00 0.52 0.00 0.39 -2.23 0.00 0.00 178.31 176.99 2otj n GLU 145 N -4.26 0.14 0.00 1.11 1.02 -0.82 -1.96 120.64 115.87 2otj n GLU 145 Ca 0.01 0.52 0.12 0.00 -0.02 0.00 0.00 57.16 57.79 2otj n GLU 145 Cb 0.27 -1.87 0.17 0.00 -0.02 0.00 0.00 31.44 29.99 2otj n GLU 145 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2otj n ASP 146 N -2.15 1.78 -4.75 1.62 8.00 -0.78 -4.95 116.55 115.31 2otj n ASP 146 Ca 0.00 -1.37 -0.34 0.00 0.71 0.00 0.00 54.79 53.80 2otj n ASP 146 Cb 0.11 0.28 0.07 0.00 -0.02 0.00 0.00 41.12 41.56 2otj n ASP 146 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2otj s LEU 147 N -2.39 3.37 0.00 0.64 1.43 -0.83 -4.98 118.68 115.92 2otj s LEU 147 Ca 0.23 2.15 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 2otj s LEU 147 Cb 0.19 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.84 2otj s LEU 147 CO 0.51 -1.89 0.00 0.52 0.23 0.00 0.00 176.35 175.72 2otj n VAL 148 N -2.52 0.00 -2.63 -1.59 0.31 -1.26 -4.59 118.33 106.05 2otj n VAL 148 Ca 0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.04 2otj n VAL 148 Cb 0.51 -0.99 -0.04 0.00 -0.91 0.00 0.00 33.84 32.40 2otj n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2otj s LYS 149 N -1.94 4.66 0.18 5.55 -0.14 -1.26 -4.24 119.74 122.56 2otj s LYS 149 Ca 0.00 1.58 -0.12 0.00 -1.36 0.00 0.00 55.97 56.07 2otj s LYS 149 Cb 0.00 -3.32 0.09 0.00 -1.68 0.00 0.00 37.83 32.92 2otj s LYS 149 CO 0.00 0.17 1.79 1.15 -0.76 0.00 0.00 175.35 177.70 2otj h THR 150 N 3.81 1.20 -0.81 2.17 2.02 -1.92 -2.49 112.91 116.90 2otj h THR 150 Ca -0.44 -0.51 0.15 0.00 0.77 0.00 0.00 66.41 66.38 2otj h THR 150 Cb 1.21 0.40 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 2otj h THR 150 CO 0.72 0.22 0.53 1.56 0.37 0.00 0.00 175.52 178.92 2otj h GLN 151 N 0.85 0.50 -0.13 6.66 1.08 -1.92 0.15 115.11 122.30 2otj h GLN 151 Ca 0.22 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.32 2otj h GLN 151 Cb 0.05 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 2otj h GLN 151 CO -0.03 0.33 -0.23 0.93 -0.95 0.00 0.00 178.83 178.87 2otj h GLU 152 N 0.51 0.22 0.00 1.46 5.08 -1.83 -1.20 114.58 118.83 2otj h GLU 152 Ca 0.40 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2otj h GLU 152 Cb 0.82 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2otj h GLU 152 CO -0.15 0.45 0.00 0.28 -1.00 0.00 0.00 179.01 178.59 2otj h VAL 153 N 0.21 0.00 0.03 3.13 2.07 -0.71 -2.77 116.25 118.21 2otj h VAL 153 Ca 0.03 -0.53 -0.13 0.00 0.82 0.00 0.00 66.70 66.90 2otj h VAL 153 Cb 0.53 1.46 0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2otj h VAL 153 CO 0.04 0.00 -0.51 0.58 0.02 0.00 0.00 177.57 177.70 2otj h VAL 154 N 0.00 1.50 -0.58 2.57 2.07 -0.80 -2.52 116.25 118.49 2otj h VAL 154 Ca 0.00 -2.15 0.02 0.00 0.82 0.00 0.00 66.70 65.39 2otj h VAL 154 Cb 0.65 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 2otj h VAL 154 CO 0.00 0.61 0.37 0.28 0.02 0.00 0.00 177.57 178.85 2otj h SER 155 N -0.32 0.62 -0.51 0.57 0.02 -1.32 0.24 113.55 112.85 2otj h SER 155 Ca -0.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2otj h SER 155 Cb 1.27 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 2otj h SER 155 CO 0.10 0.44 0.29 0.25 -1.14 0.00 0.00 176.83 176.77 2otj h LEU 156 N 0.74 0.63 -0.81 5.07 5.85 -1.57 0.22 115.31 125.44 2otj h LEU 156 Ca 0.23 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 2otj h LEU 156 Cb -0.03 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2otj h LEU 156 CO -0.08 0.53 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.42 2otj h LEU 157 N 0.68 0.81 -0.72 2.25 3.38 -0.94 0.64 115.31 121.40 2otj h LEU 157 Ca 0.18 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2otj h LEU 157 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2otj h LEU 157 CO -0.03 0.91 -0.06 -0.33 0.09 0.00 0.00 178.44 179.03 2otj h GLU 158 N 0.76 0.92 -0.54 1.13 5.08 -0.15 -1.60 114.58 120.18 2otj h GLU 158 Ca 0.14 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2otj h GLU 158 Cb 0.55 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2otj h GLU 158 CO 0.03 0.95 0.28 0.00 -1.00 0.00 0.00 179.01 179.27 2otj h ALA 159 N 1.09 0.70 0.00 3.43 0.00 0.06 -2.55 119.26 121.99 2otj h ALA 159 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2otj h ALA 159 Cb 0.57 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2otj h ALA 159 CO 0.03 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.81 2otj n LEU 160 N -4.59 0.00 -3.22 0.00 4.77 0.16 -4.88 117.00 109.23 2otj n LEU 160 Ca 0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.78 2otj n LEU 160 Cb 0.10 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2otj n LEU 160 CO 0.37 0.00 0.01 0.47 -1.33 0.00 0.00 177.39 176.91 2otj n ASP 161 N -0.72 -5.33 0.00 -1.43 8.00 -0.91 -4.84 116.55 111.32 2otj n ASP 161 Ca 0.10 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.23 2otj n ASP 161 Cb 0.04 -4.32 0.00 0.00 -0.02 0.00 0.00 41.12 36.82 2otj n ASP 161 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2otj n VAL 162 N -4.39 0.00 0.28 2.53 0.31 -0.65 -0.97 118.33 115.44 2otj n VAL 162 Ca -0.06 -0.39 0.13 0.00 -0.01 0.00 0.00 64.34 64.01 2otj n VAL 162 Cb 0.59 0.90 0.83 0.00 -0.91 0.00 0.00 33.84 35.25 2otj n VAL 162 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2otj h HIS 163 N 0.00 0.00 -0.07 3.52 6.17 -1.77 -2.60 115.15 120.40 2otj h HIS 163 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.10 2otj h HIS 163 Cb 0.00 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 29.93 2otj h HIS 163 CO 0.00 0.04 0.18 0.00 0.71 0.00 0.00 177.93 178.86 2otj h ALA 164 N 1.96 1.42 0.00 5.26 0.00 -1.84 0.12 119.26 126.17 2otj h ALA 164 Ca -0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2otj h ALA 164 Cb 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2otj h ALA 164 CO 0.01 -0.22 -0.48 0.22 0.00 0.00 0.00 179.25 178.78 2otj h ASP 165 N 0.00 0.00 1.09 0.00 3.58 -0.63 -2.78 116.42 117.68 2otj h ASP 165 Ca 0.03 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.31 2otj h ASP 165 Cb 0.40 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 2otj h ASP 165 CO -0.00 0.48 -0.85 0.40 -2.88 0.00 0.00 179.24 176.39 2otj h ILE 166 N 0.00 1.48 0.00 2.25 2.04 -0.95 -2.77 117.51 119.56 2otj h ILE 166 Ca -0.00 -3.03 -0.05 0.00 1.00 0.00 0.00 64.86 62.77 2otj h ILE 166 Cb 1.04 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.81 2otj h ILE 166 CO 0.06 0.83 -0.26 0.44 0.00 0.00 0.00 178.15 179.22 2otj h ASP 167 N 0.00 0.00 -0.03 1.72 3.45 -1.32 -1.75 116.42 118.49 2otj h ASP 167 Ca -0.01 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 2otj h ASP 167 Cb 1.63 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.39 2otj h ASP 167 CO 0.11 0.26 -0.03 -0.09 -1.57 0.00 0.00 179.24 177.92 2otj h ARG 168 N 0.00 0.07 0.00 3.56 2.43 -1.27 -3.12 114.38 116.06 2otj h ARG 168 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2otj h ARG 168 Cb 0.67 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2otj h ARG 168 CO 0.03 0.52 0.00 0.00 -1.51 0.00 0.00 179.97 179.01 2otj n ALA 169 N -2.35 2.55 -1.44 2.80 0.00 -1.03 -4.15 120.51 116.89 2otj n ALA 169 Ca -0.08 -0.17 -0.25 0.00 0.00 0.00 0.00 53.44 52.94 2otj n ALA 169 Cb 0.26 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.20 2otj n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2otj n ASP 170 N -0.97 6.39 -3.23 0.00 4.64 -0.69 -4.38 116.55 118.32 2otj n ASP 170 Ca 0.20 -3.08 -0.01 0.00 -1.38 0.00 0.00 54.79 50.51 2otj n ASP 170 Cb 0.09 -1.27 -0.04 0.00 -1.04 0.00 0.00 41.12 38.86 2otj n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 2otj s GLU 171 N -1.22 0.48 0.36 -0.67 2.02 -1.26 -5.04 118.70 113.37 2otj s GLU 171 Ca 0.60 0.73 -0.19 0.00 0.02 0.00 0.00 54.97 56.13 2otj s GLU 171 Cb 0.36 0.11 -0.10 0.00 0.10 0.00 0.00 34.13 34.60 2otj s GLU 171 CO -0.18 -0.71 0.85 0.95 0.02 0.00 0.00 175.26 176.19 2otj s THR 172 N 2.73 4.49 -0.16 3.63 -4.23 -1.26 -4.52 115.64 116.31 2otj s THR 172 Ca 0.16 1.32 -0.04 0.00 -1.18 0.00 0.00 61.69 61.95 2otj s THR 172 Cb -0.14 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 2otj s THR 172 CO -0.21 -0.16 -0.02 -0.75 -0.54 0.00 0.00 174.62 172.95 2otj s LYS 173 N -2.84 3.72 -0.57 3.99 2.20 0.13 -4.95 119.74 121.41 2otj s LYS 173 Ca 0.56 -0.49 -0.21 0.00 -0.36 0.00 0.00 55.97 55.46 2otj s LYS 173 Cb -0.11 -2.97 0.06 0.00 -1.51 0.00 0.00 37.83 33.30 2otj s LYS 173 CO 0.17 0.23 0.80 0.42 -0.36 0.00 0.00 175.35 176.61 2otj s ILE 174 N 0.40 4.60 0.54 5.43 1.01 -1.26 -2.10 121.20 129.82 2otj s ILE 174 Ca -0.03 -0.34 -0.21 0.00 0.00 0.00 0.00 60.65 60.07 2otj s ILE 174 Cb -0.14 -4.49 -0.07 0.00 0.01 0.00 0.00 42.46 37.78 2otj s ILE 174 CO 0.02 -1.10 0.98 0.29 0.00 0.00 0.00 174.94 175.14 2otj n LYS 175 N 6.91 1.09 -3.07 2.79 5.02 -0.18 -5.00 118.16 125.73 2otj n LYS 175 Ca -0.04 0.41 -0.39 0.00 -2.02 0.00 0.00 58.31 56.26 2otj n LYS 175 Cb 0.45 -2.13 -0.06 0.00 -0.02 0.00 0.00 35.03 33.27 2otj n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2otj s ALA 176 N -1.44 3.46 0.00 7.82 0.00 -1.26 -4.88 121.76 125.46 2otj s ALA 176 Ca 0.71 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2otj s ALA 176 Cb -0.46 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2otj s ALA 176 CO 0.51 0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.92 2otj n GLY 177 N 1.92 1.65 0.00 0.00 0.00 -1.26 -4.73 105.19 102.76 2otj n GLY 177 Ca -0.06 -2.05 0.06 0.00 0.00 0.00 0.00 46.02 43.97 2otj n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2otj n GLN 178 N 1.03 0.29 -0.27 1.61 6.02 -1.26 -3.24 117.38 121.55 2otj n GLN 178 Ca 0.00 0.08 0.11 0.00 -0.01 0.00 0.00 57.00 57.18 2otj n GLN 178 Cb 0.00 -1.50 0.36 0.00 1.02 0.00 0.00 30.24 30.12 2otj n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2otj h GLY 179 N 1.95 1.23 -0.76 1.08 0.00 -1.86 -0.99 103.07 103.72 2otj h GLY 179 Ca 0.00 -0.31 0.15 0.00 0.00 0.00 0.00 47.33 47.17 2otj h GLY 179 CO 0.00 0.11 -0.30 0.23 0.00 0.00 0.00 176.54 176.57 2otj h SER 180 N 0.73 -1.10 0.08 0.19 0.87 -1.68 0.34 113.55 112.98 2otj h SER 180 Ca 0.44 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 61.27 2otj h SER 180 Cb 0.66 0.62 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2otj h SER 180 CO -0.20 -0.29 0.00 0.00 -0.53 0.00 0.00 176.83 175.80 2otj h ALA 181 N 1.51 1.00 -0.32 6.23 0.00 -1.45 -1.76 119.26 124.46 2otj h ALA 181 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2otj h ALA 181 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2otj h ALA 181 CO -0.88 0.00 0.00 0.54 0.00 0.00 0.00 179.25 178.91 2otj n ARG 182 N -2.45 3.10 -0.71 0.00 1.74 0.11 -4.95 116.66 113.51 2otj n ARG 182 Ca -0.01 -2.72 0.00 0.00 -0.77 0.00 0.00 57.85 54.34 2otj n ARG 182 Cb 0.06 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 2otj n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2otj n GLY 183 N -0.16 0.60 2.11 -0.13 0.00 -0.66 -4.96 105.19 101.99 2otj n GLY 183 Ca 0.20 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 2otj n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2otj n ARG 184 N -2.71 3.43 0.06 1.61 1.74 -0.88 -4.81 116.66 115.11 2otj n ARG 184 Ca 0.00 -4.02 -0.13 0.00 -0.77 0.00 0.00 57.85 52.93 2otj n ARG 184 Cb 0.00 -2.28 -0.08 0.00 -1.02 0.00 0.00 32.46 29.08 2otj n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2otj h LYS 185 N 2.18 -0.10 -6.60 5.56 3.64 -1.74 -3.34 116.57 116.17 2otj h LYS 185 Ca 0.41 0.01 -0.44 0.00 -1.27 0.00 0.00 60.65 59.36 2otj h LYS 185 Cb 1.36 0.02 0.03 0.00 -0.41 0.00 0.00 32.23 33.23 2otj h LYS 185 CO 0.93 0.04 -0.16 0.71 -2.27 0.00 0.00 179.45 178.70 2otj s TYR 186 N -5.69 2.46 -0.15 1.91 1.51 -1.26 -1.01 117.35 115.12 2otj s TYR 186 Ca -0.14 -0.38 -0.32 0.00 -1.01 0.00 0.00 57.07 55.21 2otj s TYR 186 Cb 0.05 -2.46 0.13 0.00 -0.11 0.00 0.00 41.96 39.57 2otj s TYR 186 CO 0.65 -0.74 1.11 -0.98 -1.11 0.00 0.00 175.55 174.49 2otj s ARG 187 N -4.54 0.45 0.13 -0.62 1.04 -0.89 -4.86 118.95 109.65 2otj s ARG 187 Ca 0.58 -0.10 -0.17 0.00 -1.04 0.00 0.00 55.73 55.00 2otj s ARG 187 Cb -0.09 0.21 0.04 0.00 -2.04 0.00 0.00 34.95 33.07 2otj s ARG 187 CO 0.36 -0.18 0.43 -0.98 -0.04 0.00 0.00 175.30 174.89 2otj s ARG 188 N -2.19 1.11 0.91 3.89 1.70 -1.26 0.17 118.95 123.28 2otj s ARG 188 Ca 0.06 -0.69 -0.11 0.00 -0.47 0.00 0.00 55.73 54.52 2otj s ARG 188 Cb -0.01 0.49 0.11 0.00 -0.57 0.00 0.00 34.95 34.97 2otj s ARG 188 CO -0.05 -0.44 0.97 -2.30 -1.08 0.00 0.00 175.30 172.40 2otj n PRO 189 N -0.25 -0.34 -3.63 3.89 -0.02 -1.26 -4.98 135.00 128.41 2otj n PRO 189 Ca -0.16 -0.03 -0.37 0.00 -2.02 0.00 0.00 63.50 60.92 2otj n PRO 189 Cb 0.64 -2.25 -0.09 0.00 -0.02 0.00 0.00 33.50 31.77 2otj n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2otj s ALA 190 N -2.51 3.61 0.00 3.55 0.00 -1.26 -4.45 121.76 120.70 2otj s ALA 190 Ca 0.65 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2otj s ALA 190 Cb -0.24 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.53 2otj s ALA 190 CO 0.59 -0.15 0.00 -1.13 0.00 0.00 0.00 175.76 175.07 2otj n SER 191 N 4.19 0.00 -4.75 0.00 3.41 0.20 -4.91 113.62 111.75 2otj n SER 191 Ca -0.14 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.07 2otj n SER 191 Cb 0.52 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 2otj n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2otj s ILE 192 N 3.57 4.35 -0.20 -1.33 1.01 -1.26 -4.53 121.20 122.81 2otj s ILE 192 Ca 0.00 1.96 -0.10 0.00 0.00 0.00 0.00 60.65 62.52 2otj s ILE 192 Cb 0.00 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2otj s ILE 192 CO 0.00 0.42 0.12 -0.22 0.00 0.00 0.00 174.94 175.27 2otj s LEU 193 N -0.63 4.14 -0.41 2.97 2.96 -1.16 -1.60 118.68 124.95 2otj s LEU 193 Ca 0.42 0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 54.43 2otj s LEU 193 Cb -0.24 -2.07 0.07 0.00 0.50 0.00 0.00 46.19 44.45 2otj s LEU 193 CO 0.29 0.17 0.24 -0.36 -1.32 0.00 0.00 176.35 175.37 2otj s PHE 194 N 0.43 3.32 -0.33 5.38 0.40 0.53 -1.71 117.98 126.01 2otj s PHE 194 Ca 0.07 -1.47 -0.15 0.00 -0.60 0.00 0.00 56.93 54.79 2otj s PHE 194 Cb -0.11 -2.84 -0.02 0.00 0.51 0.00 0.00 43.02 40.56 2otj s PHE 194 CO -0.01 -0.82 0.35 0.08 0.70 0.00 0.00 175.22 175.52 2otj s VAL 195 N 1.43 5.18 0.00 -0.44 1.01 -0.36 -0.87 120.40 126.35 2otj s VAL 195 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2otj s VAL 195 Cb -0.22 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2otj s VAL 195 CO 0.03 -0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.44 2otj n THR 196 N 5.21 0.00 0.00 3.92 -2.24 -0.43 -2.26 114.28 118.47 2otj n THR 196 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2otj n THR 196 Cb 0.50 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2otj n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2otj n SER 197 N 0.00 1.37 -0.06 3.42 2.88 -1.26 -1.39 113.62 118.58 2otj n SER 197 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 2otj n SER 197 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2otj n SER 197 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2otj h ASP 198 N 0.00 0.00 -5.01 -3.46 3.32 -1.99 -3.43 116.42 105.84 2otj h ASP 198 Ca 0.00 -0.31 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 2otj h ASP 198 Cb 0.77 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.13 2otj h ASP 198 CO 0.00 0.78 -0.36 -1.61 -1.72 0.00 0.00 179.24 176.32 2otj s GLU 199 N -1.93 0.63 0.52 3.56 2.02 -1.26 -5.09 118.70 117.16 2otj s GLU 199 Ca -0.10 -0.38 -0.22 0.00 0.02 0.00 0.00 54.97 54.28 2otj s GLU 199 Cb 0.00 0.27 -0.06 0.00 0.10 0.00 0.00 34.13 34.44 2otj s GLU 199 CO 0.28 -0.17 1.20 -2.30 0.02 0.00 0.00 175.26 174.28 2otj n PRO 200 N 1.12 1.48 -1.77 0.39 -0.02 -1.26 -4.80 135.00 130.15 2otj n PRO 200 Ca -0.21 0.54 -0.37 0.00 -2.02 0.00 0.00 63.50 61.44 2otj n PRO 200 Cb 0.57 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2otj n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2otj s SER 201 N -0.91 4.80 0.34 2.55 0.15 -1.26 -4.80 113.70 114.57 2otj s SER 201 Ca 0.70 0.74 0.02 0.00 0.70 0.00 0.00 55.95 58.12 2otj s SER 201 Cb -0.45 -2.51 0.61 0.00 -1.71 0.00 0.00 66.02 61.96 2otj s SER 201 CO 0.51 -2.67 1.97 0.74 1.20 0.00 0.00 173.24 174.99 2otj h THR 202 N 7.34 1.17 -0.10 6.45 2.02 -1.90 -1.00 112.91 126.89 2otj h THR 202 Ca -0.25 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 2otj h THR 202 Cb 1.22 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2otj h THR 202 CO 1.19 0.19 -0.33 0.00 0.37 0.00 0.00 175.52 176.93 2otj h ALA 203 N 1.56 1.26 0.03 6.16 0.00 -1.81 -3.29 119.26 123.17 2otj h ALA 203 Ca 0.20 -0.34 -0.34 0.00 0.00 0.00 0.00 54.91 54.43 2otj h ALA 203 Cb 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2otj h ALA 203 CO -0.03 0.51 -2.05 0.00 0.00 0.00 0.00 179.25 177.68 2otj n ALA 204 N -2.48 1.37 -0.33 0.00 0.00 -0.88 -3.67 120.51 114.52 2otj n ALA 204 Ca -0.01 -0.92 0.13 0.00 0.00 0.00 0.00 53.44 52.63 2otj n ALA 204 Cb 0.41 -0.54 0.26 0.00 0.00 0.00 0.00 19.45 19.57 2otj n ALA 204 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2otj n ARG 205 N -3.08 -0.08 0.00 0.00 1.85 -0.43 -0.37 116.66 114.55 2otj n ARG 205 Ca -0.28 1.43 0.08 0.00 -1.00 0.00 0.00 57.85 58.08 2otj n ARG 205 Cb 1.07 -2.25 0.42 0.00 -1.05 0.00 0.00 32.46 30.66 2otj n ARG 205 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2otj n ASN 206 N -5.43 0.00 -4.75 2.89 5.15 -1.26 -4.67 115.26 107.20 2otj n ASN 206 Ca 0.21 0.02 -0.41 0.00 -0.60 0.00 0.00 54.58 53.80 2otj n ASN 206 Cb 0.70 -0.27 -0.02 0.00 -0.53 0.00 0.00 39.78 39.65 2otj n ASN 206 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2otj s LEU 207 N -2.54 4.37 -0.28 1.20 1.43 0.50 -4.85 118.68 118.50 2otj s LEU 207 Ca 0.16 2.78 -0.42 0.00 -1.03 0.00 0.00 54.13 55.63 2otj s LEU 207 Cb 0.11 -3.63 -0.17 0.00 0.03 0.00 0.00 46.19 42.54 2otj s LEU 207 CO 0.25 -0.80 1.63 0.00 0.23 0.00 0.00 176.35 177.66 2otj n ALA 208 N 2.39 -0.75 -0.61 4.21 0.00 -1.26 -0.84 120.51 123.65 2otj n ALA 208 Ca 0.08 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2otj n ALA 208 Cb 0.39 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.73 2otj n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otj n GLY 209 N 3.83 0.61 3.80 0.00 0.00 -1.26 -4.63 105.19 107.54 2otj n GLY 209 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 2otj n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj s ALA 210 N -2.29 2.84 -0.03 4.61 0.00 -0.02 -0.63 121.76 126.24 2otj s ALA 210 Ca 0.00 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.52 2otj s ALA 210 Cb 0.00 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.89 2otj s ALA 210 CO 0.00 -0.44 -0.06 -0.51 0.00 0.00 0.00 175.76 174.76 2otj s ASP 211 N -2.22 0.90 -0.08 0.00 1.01 -0.63 -4.88 116.67 110.77 2otj s ASP 211 Ca 0.66 -0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.78 2otj s ASP 211 Cb -0.16 -0.31 -0.03 0.00 1.01 0.00 0.00 42.92 43.43 2otj s ASP 211 CO 0.25 0.01 -0.03 0.68 0.21 0.00 0.00 175.17 176.28 2otj s VAL 212 N 0.45 4.00 0.23 -1.27 -7.23 -1.26 -0.35 120.40 114.97 2otj s VAL 212 Ca -0.06 -0.37 -0.04 0.00 -1.81 0.00 0.00 61.98 59.71 2otj s VAL 212 Cb -0.10 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 2otj s VAL 212 CO 0.00 0.60 0.26 0.00 -0.31 0.00 0.00 175.10 175.65 2otj s ALA 213 N -0.79 0.81 0.01 1.32 0.00 -0.05 -4.91 121.76 118.14 2otj s ALA 213 Ca 0.12 -1.49 0.08 0.00 0.00 0.00 0.00 51.96 50.67 2otj s ALA 213 Cb -0.11 1.29 -0.02 0.00 0.00 0.00 0.00 23.12 24.28 2otj s ALA 213 CO 0.02 -0.68 -0.25 0.99 0.00 0.00 0.00 175.76 175.84 2otj s THR 214 N -3.99 2.20 0.47 0.00 2.01 -1.26 -1.32 115.64 113.74 2otj s THR 214 Ca 0.34 -1.20 0.21 0.00 0.31 0.00 0.00 61.69 61.35 2otj s THR 214 Cb 0.04 -1.82 0.39 0.00 0.01 0.00 0.00 72.50 71.12 2otj s THR 214 CO 0.13 0.48 1.92 0.00 -0.69 0.00 0.00 174.62 176.46 2otj h ALA 215 N 5.14 2.33 -0.05 7.40 0.00 -1.51 0.17 119.26 132.75 2otj h ALA 215 Ca -0.45 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 2otj h ALA 215 Cb 1.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2otj h ALA 215 CO 0.46 -0.55 -0.60 0.66 0.00 0.00 0.00 179.25 179.22 2otj h SER 216 N 0.26 0.19 0.00 0.00 4.64 -1.88 -3.35 113.55 113.40 2otj h SER 216 Ca 0.37 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2otj h SER 216 Cb 1.08 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2otj h SER 216 CO -0.09 0.74 0.00 -1.84 -0.87 0.00 0.00 176.83 174.77 2otj n GLU 217 N -3.86 2.50 -1.72 4.77 0.28 -0.94 -5.04 120.64 116.62 2otj n GLU 217 Ca -0.02 -1.33 -0.42 0.00 -0.16 0.00 0.00 57.16 55.22 2otj n GLU 217 Cb 0.61 -0.92 -0.03 0.00 1.43 0.00 0.00 31.44 32.53 2otj n GLU 217 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2otj n VAL 218 N -0.42 0.46 -4.38 3.84 3.14 0.56 -4.90 118.33 116.63 2otj n VAL 218 Ca 0.00 -0.12 -0.30 0.00 -2.96 0.00 0.00 64.34 60.96 2otj n VAL 218 Cb 0.29 -1.91 -0.04 0.00 -1.06 0.00 0.00 33.84 31.12 2otj n VAL 218 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2otj s ASN 219 N 0.83 4.36 0.48 6.55 2.20 -1.26 -5.02 114.94 123.09 2otj s ASN 219 Ca 0.71 -1.51 0.21 0.00 -0.94 0.00 0.00 52.86 51.33 2otj s ASN 219 Cb -0.52 0.57 1.24 0.00 -2.00 0.00 0.00 41.25 40.54 2otj s ASN 219 CO 0.40 -1.01 1.97 0.74 -2.94 0.00 0.00 177.10 176.26 2otj h THR 220 N 1.04 0.77 0.08 0.54 2.02 -1.90 -1.63 112.91 113.83 2otj h THR 220 Ca -0.41 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 2otj h THR 220 Cb 1.32 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2otj h THR 220 CO 0.66 0.03 -0.04 -0.33 0.37 0.00 0.00 175.52 176.22 2otj h GLU 221 N 0.19 -0.11 0.00 6.66 5.08 -1.91 0.53 114.58 125.03 2otj h GLU 221 Ca 0.29 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2otj h GLU 221 Cb 0.90 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2otj h GLU 221 CO -0.05 0.39 -0.25 0.38 -1.00 0.00 0.00 179.01 178.48 2otj h ASP 222 N -0.68 0.00 0.05 1.42 3.04 -1.90 0.29 116.42 118.64 2otj h ASP 222 Ca -0.01 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.58 2otj h ASP 222 Cb 0.55 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.86 2otj h ASP 222 CO 0.02 0.25 -0.83 -0.07 -2.04 0.00 0.00 179.24 176.57 2otj h LEU 223 N 0.00 0.64 -6.24 0.15 4.07 -1.30 -3.39 115.31 109.23 2otj h LEU 223 Ca -0.00 -0.81 -0.58 0.00 0.08 0.00 0.00 57.88 56.57 2otj h LEU 223 Cb 0.52 -0.20 -0.40 0.00 1.08 0.00 0.00 40.66 41.66 2otj h LEU 223 CO 0.03 1.37 -0.85 0.00 -1.08 0.00 0.00 178.44 177.92 2otj n ALA 224 N -2.63 3.18 -1.64 1.53 0.00 0.19 -3.38 120.51 117.76 2otj n ALA 224 Ca -0.12 -3.98 -0.50 0.00 0.00 0.00 0.00 53.44 48.85 2otj n ALA 224 Cb 0.79 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 2otj n ALA 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2otj n PRO 225 N 1.46 1.66 -1.18 0.00 -0.04 0.07 -0.54 135.00 136.42 2otj n PRO 225 Ca 0.25 0.60 -0.06 0.00 -0.04 0.00 0.00 63.50 64.25 2otj n PRO 225 Cb 0.46 -2.32 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 2otj n PRO 225 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2otj n GLY 226 N 3.22 0.80 2.16 0.55 0.00 -1.26 -2.16 105.19 108.50 2otj n GLY 226 Ca 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2otj n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otj n GLY 227 N -1.32 1.33 3.62 -0.02 0.00 0.29 -5.00 105.19 104.09 2otj n GLY 227 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 2otj n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj s ALA 228 N -3.18 3.47 0.63 4.61 0.00 -0.92 -4.14 121.76 122.23 2otj s ALA 228 Ca 0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 51.96 51.49 2otj s ALA 228 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 2otj s ALA 228 CO 0.00 -1.45 1.09 -2.14 0.00 0.00 0.00 175.76 173.25 2otj s PRO 229 N 3.39 3.03 0.00 0.00 0.02 -1.26 -3.82 135.00 136.35 2otj s PRO 229 Ca 0.39 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.72 2otj s PRO 229 Cb -0.13 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.41 2otj s PRO 229 CO 0.16 -1.06 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 2otj n GLY 230 N -0.73 0.69 3.74 0.52 0.00 -1.26 -4.68 105.19 103.48 2otj n GLY 230 Ca 0.10 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 2otj n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2otj s ARG 231 N -2.51 4.48 -0.75 1.61 3.52 -1.22 -3.96 118.95 120.13 2otj s ARG 231 Ca 0.00 1.03 -0.26 0.00 -0.13 0.00 0.00 55.73 56.38 2otj s ARG 231 Cb 0.00 -3.37 -0.08 0.00 -1.56 0.00 0.00 34.95 29.94 2otj s ARG 231 CO 0.00 0.27 2.21 -1.17 -0.81 0.00 0.00 175.30 175.79 2otj s LEU 232 N 0.02 3.10 0.76 -0.88 2.96 -1.26 -4.77 118.68 118.61 2otj s LEU 232 Ca 0.38 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 2otj s LEU 232 Cb -0.20 -2.54 0.15 0.00 0.50 0.00 0.00 46.19 44.10 2otj s LEU 232 CO 0.22 -3.19 1.04 -0.89 -1.32 0.00 0.00 176.35 172.21 2otj s THR 233 N 12.27 2.03 -0.28 3.68 2.01 -1.26 -3.00 115.64 131.08 2otj s THR 233 Ca 0.84 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 2otj s THR 233 Cb -0.12 -2.44 0.17 0.00 0.01 0.00 0.00 72.50 70.12 2otj s THR 233 CO 0.10 0.00 0.53 0.54 -0.69 0.00 0.00 174.62 175.11 2otj s VAL 234 N -3.22 -0.88 0.60 3.82 0.11 -0.69 -3.34 120.40 116.80 2otj s VAL 234 Ca 0.68 -0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.72 2otj s VAL 234 Cb -0.04 -0.95 0.07 0.00 -1.53 0.00 0.00 36.38 33.92 2otj s VAL 234 CO 0.45 -0.04 0.84 -0.36 -3.33 0.00 0.00 175.10 172.66 2otj s PHE 235 N 2.76 2.36 0.03 1.54 0.40 0.17 -1.23 117.98 124.01 2otj s PHE 235 Ca 0.17 -0.16 0.05 0.00 -0.60 0.00 0.00 56.93 56.40 2otj s PHE 235 Cb -0.15 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.58 2otj s PHE 235 CO -0.20 -1.14 -0.12 -0.08 0.70 0.00 0.00 175.22 174.38 2otj s THR 236 N -2.86 3.24 0.22 0.64 -1.32 -0.96 -2.03 115.64 112.57 2otj s THR 236 Ca 0.60 -0.99 -0.14 0.00 -1.21 0.00 0.00 61.69 59.96 2otj s THR 236 Cb -0.08 -2.40 0.26 0.00 -1.51 0.00 0.00 72.50 68.77 2otj s THR 236 CO 0.40 0.35 1.40 1.21 -2.21 0.00 0.00 174.62 175.77 2otj n GLU 237 N 1.51 -0.18 0.10 7.08 4.07 0.80 0.74 120.64 134.76 2otj n GLU 237 Ca -0.16 1.39 -0.05 0.00 -0.06 0.00 0.00 57.16 58.29 2otj n GLU 237 Cb 0.52 -2.06 0.11 0.00 -0.06 0.00 0.00 31.44 29.95 2otj n GLU 237 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 2otj h SER 238 N 0.00 0.18 0.46 4.31 0.02 -1.96 -2.84 113.55 113.73 2otj h SER 238 Ca 0.34 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2otj h SER 238 Cb 0.57 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2otj h SER 238 CO -0.90 0.79 -0.22 0.00 -1.14 0.00 0.00 176.83 175.36 2otj h ALA 239 N 1.21 -0.62 -0.94 3.77 0.00 -0.51 -0.11 119.26 122.05 2otj h ALA 239 Ca -0.01 -0.18 0.25 0.00 0.00 0.00 0.00 54.91 54.97 2otj h ALA 239 Cb 1.19 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 19.09 2otj h ALA 239 CO 0.10 -0.76 0.45 1.25 0.00 0.00 0.00 179.25 180.28 2otj h LEU 240 N -0.80 0.39 0.34 0.00 6.46 0.34 0.28 115.31 122.32 2otj h LEU 240 Ca -0.06 0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 2otj h LEU 240 Cb 0.56 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2otj h LEU 240 CO 0.10 -0.03 -0.16 0.00 -0.62 0.00 0.00 178.44 177.73 2otj h ALA 241 N 1.75 -0.46 -0.98 1.25 0.00 -1.32 -3.21 119.26 116.29 2otj h ALA 241 Ca 0.61 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.43 2otj h ALA 241 Cb 1.22 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 2otj h ALA 241 CO -0.55 -0.55 0.62 1.49 0.00 0.00 0.00 179.25 180.26 2otj h GLU 242 N -0.88 1.00 -0.40 0.00 4.81 0.61 -0.99 114.58 118.72 2otj h GLU 242 Ca -0.05 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.20 2otj h GLU 242 Cb 0.53 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2otj h GLU 242 CO 0.08 0.66 0.28 0.28 -0.73 0.00 0.00 179.01 179.58 2otj h VAL 243 N 1.03 0.90 -0.89 0.32 2.07 -0.60 -2.89 116.25 116.19 2otj h VAL 243 Ca 0.46 -0.07 0.20 0.00 0.82 0.00 0.00 66.70 68.12 2otj h VAL 243 Cb 0.36 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 2otj h VAL 243 CO -0.23 0.04 0.59 0.00 0.02 0.00 0.00 177.57 177.99 2otj h ALA 244 N 1.79 2.24 -0.40 1.67 0.00 -1.18 -1.59 119.26 121.79 2otj h ALA 244 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2otj h ALA 244 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2otj h ALA 244 CO -0.03 -0.52 0.00 0.39 0.00 0.00 0.00 179.25 179.09 2otj n GLU 245 N -4.50 2.22 0.00 0.00 1.02 -1.09 -4.75 120.64 113.54 2otj n GLU 245 Ca 0.19 -1.57 0.14 0.00 -0.02 0.00 0.00 57.16 55.90 2otj n GLU 245 Cb 0.71 -1.45 0.84 0.00 -0.02 0.00 0.00 31.44 31.52 2otj n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85