#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnj h ALA 3 N 0.00 0.21 -2.78 0.00 0.00 -2.03 -3.39 119.26 111.27 2bnj h ALA 3 Ca 0.00 0.20 -0.58 0.00 0.00 0.00 0.00 54.91 54.52 2bnj h ALA 3 Cb 0.00 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2bnj h ALA 3 CO 0.00 -0.52 -0.12 -0.65 0.00 0.00 0.00 179.25 177.96 2bnj s GLN 4 N -6.15 4.20 -0.28 0.00 -1.52 -1.26 -5.05 119.66 109.59 2bnj s GLN 4 Ca -0.14 0.54 -0.16 0.00 -1.95 0.00 0.00 55.36 53.65 2bnj s GLN 4 Cb 0.17 -3.33 -0.03 0.00 -0.22 0.00 0.00 33.01 29.61 2bnj s GLN 4 CO 0.72 0.42 0.42 0.45 -0.25 0.00 0.00 175.29 177.05 2bnj s SER 5 N -0.29 6.30 0.40 5.90 0.15 -1.26 -4.95 113.70 119.95 2bnj s SER 5 Ca 0.27 0.25 0.10 0.00 0.70 0.00 0.00 55.95 57.27 2bnj s SER 5 Cb -0.17 -2.23 0.84 0.00 -1.71 0.00 0.00 66.02 62.74 2bnj s SER 5 CO 0.14 -0.26 1.96 -0.37 1.20 0.00 0.00 173.24 175.91 2bnj h VAL 6 N 5.43 1.15 -0.18 4.45 -1.51 -1.90 -0.97 116.25 122.73 2bnj h VAL 6 Ca -0.30 -0.62 -0.03 0.00 -1.23 0.00 0.00 66.70 64.52 2bnj h VAL 6 Cb 1.15 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 2bnj h VAL 6 CO 0.68 0.20 0.00 -0.78 -1.23 0.00 0.00 177.57 176.44 2bnj h ASP 7 N 0.26 0.31 -0.57 4.19 3.58 -1.64 0.33 116.42 122.89 2bnj h ASP 7 Ca 0.06 -0.31 0.05 0.00 0.42 0.00 0.00 57.03 57.25 2bnj h ASP 7 Cb 0.27 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.19 2bnj h ASP 7 CO 0.01 0.54 0.29 -0.61 -2.88 0.00 0.00 179.24 176.60 2bnj h GLN 8 N 0.07 0.54 -0.05 0.28 -0.00 -1.74 -1.20 115.11 113.01 2bnj h GLN 8 Ca 0.05 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.65 58.53 2bnj h GLN 8 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.73 2bnj h GLN 8 CO 0.01 0.36 -0.59 -0.07 0.00 0.00 0.00 178.83 178.54 2bnj h LEU 9 N 0.56 0.19 -0.32 -2.39 3.38 -1.08 -1.53 115.31 114.11 2bnj h LEU 9 Ca 0.26 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.92 2bnj h LEU 9 Cb 0.17 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2bnj h LEU 9 CO -0.18 0.73 -0.82 -0.29 0.09 0.00 0.00 178.44 177.98 2bnj h ILE 10 N 0.12 1.42 -0.55 1.22 2.10 -0.72 -2.70 117.51 118.40 2bnj h ILE 10 Ca -0.00 -2.35 -0.01 0.00 1.08 0.00 0.00 64.86 63.58 2bnj h ILE 10 Cb 1.08 2.29 -0.03 0.00 -1.09 0.00 0.00 36.82 39.07 2bnj h ILE 10 CO 0.09 0.70 0.32 0.11 -1.08 0.00 0.00 178.15 178.28 2bnj h LYS 11 N 0.21 0.74 0.00 2.19 1.57 -1.02 -1.39 116.57 118.87 2bnj h LYS 11 Ca -0.05 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2bnj h LYS 11 Cb 1.42 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2bnj h LYS 11 CO 0.14 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 179.55 2bnj h ALA 12 N 1.60 1.00 -0.66 3.86 0.00 -0.97 -0.70 119.26 123.38 2bnj h ALA 12 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2bnj h ALA 12 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2bnj h ALA 12 CO -0.04 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.75 2bnj n ARG 13 N -2.98 2.75 -0.80 0.00 5.12 -0.59 -4.96 116.66 115.20 2bnj n ARG 13 Ca -0.00 -2.47 0.00 0.00 -1.93 0.00 0.00 57.85 53.44 2bnj n ARG 13 Cb 0.23 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 2bnj n ARG 13 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bnj n GLY 14 N 1.48 0.63 3.92 -0.13 0.00 -0.27 -5.07 105.19 105.76 2bnj n GLY 14 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 2bnj n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bnj s LYS 15 N -0.20 3.05 0.01 1.61 -0.14 -0.79 -4.99 119.74 118.28 2bnj s LYS 15 Ca 0.00 0.00 -0.18 0.00 -1.36 0.00 0.00 55.97 54.44 2bnj s LYS 15 Cb 0.00 -2.31 -0.34 0.00 -1.68 0.00 0.00 37.83 33.50 2bnj s LYS 15 CO 0.00 -0.58 0.98 0.28 -0.76 0.00 0.00 175.35 175.27 2bnj h VAL 16 N -0.06 1.35 -2.46 3.17 2.07 -0.96 -3.34 116.25 116.01 2bnj h VAL 16 Ca -0.46 -2.64 0.04 0.00 0.82 0.00 0.00 66.70 64.46 2bnj h VAL 16 Cb 1.25 3.08 -0.15 0.00 -1.52 0.00 0.00 31.29 33.94 2bnj h VAL 16 CO 0.61 0.78 0.36 -0.72 0.02 0.00 0.00 177.57 178.61 2bnj s TYR 17 N -2.57 -0.46 -0.14 1.57 -0.85 -1.19 -4.88 117.35 108.83 2bnj s TYR 17 Ca -0.10 0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.84 2bnj s TYR 17 Cb 0.03 0.52 0.03 0.00 0.38 0.00 0.00 41.96 42.92 2bnj s TYR 17 CO 0.92 -0.65 -0.11 0.12 -1.52 0.00 0.00 175.55 174.31 2bnj s PHE 18 N -2.97 1.90 0.12 -3.49 2.19 -1.26 -2.66 117.98 111.81 2bnj s PHE 18 Ca 0.01 -1.06 0.01 0.00 0.33 0.00 0.00 56.93 56.22 2bnj s PHE 18 Cb -0.01 -1.44 -0.00 0.00 -1.31 0.00 0.00 43.02 40.25 2bnj s PHE 18 CO -0.07 -0.61 0.04 0.41 1.83 0.00 0.00 175.22 176.81 2bnj n GLY 19 N 4.84 3.87 3.19 13.12 0.00 0.70 -0.77 105.19 130.14 2bnj n GLY 19 Ca -0.15 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.78 2bnj n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bnj s VAL 20 N -1.94 0.12 0.26 1.61 -7.23 -0.58 -1.15 120.40 111.48 2bnj s VAL 20 Ca 0.06 -0.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.97 2bnj s VAL 20 Cb 0.00 -1.01 -0.09 0.00 0.56 0.00 0.00 36.38 35.84 2bnj s VAL 20 CO 0.04 -0.53 1.09 0.00 -0.31 0.00 0.00 175.10 175.39 2bnj s ALA 21 N -2.86 3.40 0.16 1.32 0.00 -0.42 -1.74 121.76 121.62 2bnj s ALA 21 Ca -0.03 0.86 -0.06 0.00 0.00 0.00 0.00 51.96 52.73 2bnj s ALA 21 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.83 2bnj s ALA 21 CO -0.05 -0.14 0.32 -2.37 0.00 0.00 0.00 175.76 173.52 2bnj n THR 22 N 1.43 0.00 -3.90 0.00 5.66 0.07 -3.87 114.28 113.68 2bnj n THR 22 Ca -0.01 -0.41 0.01 0.00 -3.05 0.00 0.00 64.05 60.59 2bnj n THR 22 Cb 0.45 0.41 0.01 0.00 -1.55 0.00 0.00 70.33 69.65 2bnj n THR 22 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2bnj s ASP 23 N -1.85 -0.01 0.28 1.09 1.01 -1.26 -0.65 116.67 115.27 2bnj s ASP 23 Ca 0.07 -0.29 0.02 0.00 0.71 0.00 0.00 52.55 53.06 2bnj s ASP 23 Cb -0.02 0.23 0.60 0.00 1.01 0.00 0.00 42.92 44.73 2bnj s ASP 23 CO 0.05 -0.44 1.81 -0.61 0.21 0.00 0.00 175.17 176.18 2bnj h GLN 24 N 2.00 0.84 -0.65 8.23 4.15 -1.94 -0.45 115.11 127.29 2bnj h GLN 24 Ca -0.25 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.19 2bnj h GLN 24 Cb 1.20 -0.19 -0.06 0.00 0.21 0.00 0.00 27.48 28.64 2bnj h GLN 24 CO 0.32 0.56 0.34 -2.95 -1.93 0.00 0.00 178.83 175.16 2bnj h ASN 25 N 0.87 0.49 0.41 -0.69 -1.07 -1.97 -2.24 115.58 111.37 2bnj h ASN 25 Ca 0.51 0.04 -0.30 0.00 0.07 0.00 0.00 56.30 56.62 2bnj h ASN 25 Cb 0.63 -0.05 0.02 0.00 -2.07 0.00 0.00 38.32 36.85 2bnj h ASN 25 CO -0.31 0.31 -1.33 0.03 0.07 0.00 0.00 177.43 176.19 2bnj h ARG 26 N 0.62 0.43 0.00 4.14 2.47 -1.73 -3.28 114.38 117.04 2bnj h ARG 26 Ca 0.30 -0.70 -0.02 0.00 -1.26 0.00 0.00 59.98 58.29 2bnj h ARG 26 Cb 0.23 0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 28.80 2bnj h ARG 26 CO -0.20 1.33 -0.10 -0.07 0.56 0.00 0.00 179.97 181.48 2bnj h LEU 27 N 0.13 0.00 -3.41 3.04 3.38 -0.89 -2.58 115.31 114.99 2bnj h LEU 27 Ca -0.19 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 2bnj h LEU 27 Cb 2.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.74 2bnj h LEU 27 CO 0.24 0.10 0.05 0.35 0.09 0.00 0.00 178.44 179.27 2bnj n THR 28 N -3.65 2.53 -3.99 0.22 -2.24 -0.86 -4.36 114.28 101.92 2bnj n THR 28 Ca -0.02 -1.93 -0.08 0.00 -2.27 0.00 0.00 64.05 59.74 2bnj n THR 28 Cb 0.22 -0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.06 2bnj n THR 28 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2bnj s THR 29 N -2.94 0.16 0.00 4.28 -1.32 -0.97 -5.06 115.64 109.79 2bnj s THR 29 Ca 0.47 -1.34 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 2bnj s THR 29 Cb 0.38 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 2bnj s THR 29 CO 0.09 -0.74 0.00 0.61 -2.21 0.00 0.00 174.62 172.37 2bnj n GLY 30 N 0.61 1.76 0.96 6.08 0.00 -1.26 -3.38 105.19 109.97 2bnj n GLY 30 Ca -0.18 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.45 2bnj n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bnj n LYS 31 N 6.92 3.13 -0.05 1.61 5.02 -1.26 -4.71 118.16 128.82 2bnj n LYS 31 Ca 0.00 -2.61 -0.09 0.00 -2.02 0.00 0.00 58.31 53.59 2bnj n LYS 31 Cb 0.00 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.30 2bnj n LYS 31 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2bnj h ASN 32 N 2.33 0.17 -0.59 4.39 2.35 -1.77 -1.08 115.58 121.38 2bnj h ASN 32 Ca 0.00 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2bnj h ASN 32 Cb 1.24 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.56 2bnj h ASN 32 CO 0.17 0.13 0.32 0.00 -1.65 0.00 0.00 177.43 176.40 2bnj h ALA 33 N 1.11 0.76 -0.59 -0.83 0.00 -1.78 0.10 119.26 118.03 2bnj h ALA 33 Ca 0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2bnj h ALA 33 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2bnj h ALA 33 CO -0.06 0.28 0.04 0.00 0.00 0.00 0.00 179.25 179.51 2bnj h ALA 34 N 1.15 0.96 -0.32 0.00 0.00 -1.83 0.10 119.26 119.32 2bnj h ALA 34 Ca 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2bnj h ALA 34 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2bnj h ALA 34 CO -0.03 0.64 0.08 0.82 0.00 0.00 0.00 179.25 180.75 2bnj h ILE 35 N 0.91 1.22 -0.42 0.00 2.04 -0.77 -1.89 117.51 118.60 2bnj h ILE 35 Ca 0.17 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 2bnj h ILE 35 Cb 0.48 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2bnj h ILE 35 CO 0.02 0.25 0.18 0.40 0.00 0.00 0.00 178.15 179.00 2bnj h ILE 36 N 0.36 1.19 -0.59 -0.67 2.04 -0.65 0.10 117.51 119.29 2bnj h ILE 36 Ca 0.10 -0.57 0.09 0.00 1.00 0.00 0.00 64.86 65.47 2bnj h ILE 36 Cb 0.30 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 2bnj h ILE 36 CO 0.00 0.21 0.23 1.56 0.00 0.00 0.00 178.15 180.16 2bnj h GLN 37 N 0.54 0.41 -0.00 2.37 4.20 -0.71 -2.32 115.11 119.59 2bnj h GLN 37 Ca 0.14 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.64 2bnj h GLN 37 Cb 0.16 -0.09 0.02 0.00 0.30 0.00 0.00 27.48 27.87 2bnj h GLN 37 CO -0.01 0.27 -0.74 0.00 -0.67 0.00 0.00 178.83 177.67 2bnj h ALA 38 N 1.39 0.09 0.00 3.87 0.00 -1.02 -3.41 119.26 120.18 2bnj h ALA 38 Ca 0.29 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2bnj h ALA 38 Cb 0.34 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2bnj h ALA 38 CO -0.28 0.46 -0.38 0.09 0.00 0.00 0.00 179.25 179.14 2bnj n ASN 39 N -4.10 0.80 -4.22 0.00 5.03 0.32 -4.67 115.26 108.43 2bnj n ASN 39 Ca -0.11 -0.51 -0.18 0.00 0.87 0.00 0.00 54.58 54.65 2bnj n ASN 39 Cb 0.74 1.03 -0.11 0.00 -1.02 0.00 0.00 39.78 40.42 2bnj n ASN 39 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2bnj s PHE 40 N -1.58 1.33 0.00 3.10 0.40 -0.88 -2.04 117.98 118.30 2bnj s PHE 40 Ca 0.01 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 2bnj s PHE 40 Cb 0.03 -0.71 0.00 0.00 0.51 0.00 0.00 43.02 42.86 2bnj s PHE 40 CO 0.19 0.11 0.96 0.41 0.70 0.00 0.00 175.22 177.60 2bnj n GLY 41 N 0.69 2.60 3.57 4.36 0.00 0.05 -4.67 105.19 111.78 2bnj n GLY 41 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 2bnj n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bnj s GLN 42 N -0.93 0.95 0.03 1.61 -0.44 -1.26 -1.16 119.66 118.46 2bnj s GLN 42 Ca 0.00 0.54 0.04 0.00 -2.50 0.00 0.00 55.36 53.44 2bnj s GLN 42 Cb 0.00 0.45 -0.02 0.00 -1.64 0.00 0.00 33.01 31.80 2bnj s GLN 42 CO 0.00 -0.23 -0.11 0.14 0.50 0.00 0.00 175.29 175.59 2bnj s VAL 43 N -0.56 0.84 -0.09 1.34 -7.23 0.38 -1.53 120.40 113.54 2bnj s VAL 43 Ca -0.06 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 2bnj s VAL 43 Cb -0.02 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 2bnj s VAL 43 CO 0.06 -0.04 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.77 2bnj s THR 44 N -0.78 2.89 -0.02 5.32 2.01 -0.71 -1.84 115.64 122.51 2bnj s THR 44 Ca -0.01 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 2bnj s THR 44 Cb -0.07 -2.16 -0.06 0.00 0.01 0.00 0.00 72.50 70.22 2bnj s THR 44 CO 0.01 0.56 1.61 -2.16 -0.69 0.00 0.00 174.62 173.95 2bnj s PRO 45 N -0.15 4.20 0.46 4.92 0.04 -1.26 -0.75 135.00 142.47 2bnj s PRO 45 Ca -0.01 2.18 0.18 0.00 0.04 0.00 0.00 61.00 63.39 2bnj s PRO 45 Cb -0.14 -3.84 1.11 0.00 0.04 0.00 0.00 34.50 31.67 2bnj s PRO 45 CO 0.03 -0.78 2.00 1.49 0.04 0.00 0.00 177.00 179.79 2bnj h GLU 46 N 9.02 0.00 0.00 4.56 4.81 -1.22 -3.41 114.58 128.34 2bnj h GLU 46 Ca -0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2bnj h GLU 46 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2bnj h GLU 46 CO 0.94 0.18 0.00 0.09 -0.73 0.00 0.00 179.01 179.49 2bnj n ASN 47 N -4.11 0.00 0.02 1.04 3.02 -1.26 -4.98 115.26 109.00 2bnj n ASN 47 Ca -0.02 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.62 2bnj n ASN 47 Cb 0.25 0.00 0.41 0.00 -0.61 0.00 0.00 39.78 39.83 2bnj n ASN 47 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2bnj n SER 48 N -0.21 0.14 -0.87 6.41 3.41 -1.26 -2.07 113.62 119.17 2bnj n SER 48 Ca 0.00 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.23 2bnj n SER 48 Cb 0.00 -0.56 0.16 0.00 -0.26 0.00 0.00 64.21 63.55 2bnj n SER 48 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2bnj n MET 49 N -1.65 2.17 -1.48 4.33 2.81 -1.26 -4.04 117.12 118.01 2bnj n MET 49 Ca 0.04 -1.99 -0.30 0.00 -1.81 0.00 0.00 57.70 53.64 2bnj n MET 49 Cb 0.23 -1.38 0.11 0.00 -0.71 0.00 0.00 33.22 31.46 2bnj n MET 49 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2bnj s LYS 50 N -1.22 1.68 0.15 0.03 1.02 -0.88 -3.73 119.74 116.80 2bnj s LYS 50 Ca 0.29 0.59 -0.12 0.00 0.02 0.00 0.00 55.97 56.75 2bnj s LYS 50 Cb 0.17 -1.88 0.02 0.00 -0.52 0.00 0.00 37.83 35.63 2bnj s LYS 50 CO 0.24 -1.89 1.60 2.35 -0.92 0.00 0.00 175.35 176.73 2bnj h TRP 51 N -1.28 0.97 -0.97 3.18 2.91 -1.76 -1.25 115.95 117.74 2bnj h TRP 51 Ca -0.48 -0.17 0.05 0.00 1.13 0.00 0.00 58.89 59.41 2bnj h TRP 51 Cb 1.29 -0.25 -0.06 0.00 -0.51 0.00 0.00 29.16 29.62 2bnj h TRP 51 CO 0.41 0.91 0.64 0.38 -1.03 0.00 0.00 178.44 179.75 2bnj h ASP 52 N 0.75 1.04 -0.18 2.65 2.03 -1.59 0.56 116.42 121.69 2bnj h ASP 52 Ca 0.14 -0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.24 2bnj h ASP 52 Cb 0.52 -0.23 0.01 0.00 -0.83 0.00 0.00 39.33 38.80 2bnj h ASP 52 CO 0.03 0.69 -0.67 0.00 -1.03 0.00 0.00 179.24 178.25 2bnj h ALA 53 N 1.45 0.32 0.00 4.15 0.00 -1.74 -3.32 119.26 120.12 2bnj h ALA 53 Ca 0.40 -0.56 -0.31 0.00 0.00 0.00 0.00 54.91 54.44 2bnj h ALA 53 Cb 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2bnj h ALA 53 CO -0.14 0.62 -1.96 0.25 0.00 0.00 0.00 179.25 178.02 2bnj n THR 54 N -4.01 1.46 -3.19 0.00 -2.24 -0.50 -4.38 114.28 101.41 2bnj n THR 54 Ca -0.07 -0.81 -0.21 0.00 -2.27 0.00 0.00 64.05 60.70 2bnj n THR 54 Cb 0.69 -0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 68.11 2bnj n THR 54 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2bnj n GLU 55 N -2.90 0.89 0.27 -0.78 2.13 0.17 -0.18 120.64 120.24 2bnj n GLU 55 Ca -0.22 -3.34 0.13 0.00 0.66 0.00 0.00 57.16 54.39 2bnj n GLU 55 Cb 1.07 -1.52 0.75 0.00 0.27 0.00 0.00 31.44 32.01 2bnj n GLU 55 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2bnj h PRO 56 N 3.41 0.00 -4.78 5.31 0.13 -1.69 -3.40 132.00 130.97 2bnj h PRO 56 Ca 0.09 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.88 2bnj h PRO 56 Cb 0.93 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.82 2bnj h PRO 56 CO 0.49 0.10 -0.76 -1.12 -0.23 0.00 0.00 178.00 176.49 2bnj s SER 57 N -6.09 1.09 0.16 1.44 0.01 -1.26 -4.91 113.70 104.15 2bnj s SER 57 Ca -0.03 -0.44 -0.33 0.00 1.31 0.00 0.00 55.95 56.46 2bnj s SER 57 Cb 0.13 -0.03 -0.13 0.00 0.21 0.00 0.00 66.02 66.20 2bnj s SER 57 CO 0.57 -0.08 1.66 1.67 0.41 0.00 0.00 173.24 177.47 2bnj n GLN 58 N 1.85 2.40 -0.90 12.44 7.27 -1.26 -1.34 117.38 137.83 2bnj n GLN 58 Ca -0.19 0.87 0.00 0.00 0.07 0.00 0.00 57.00 57.74 2bnj n GLN 58 Cb 0.55 -2.67 0.00 0.00 2.41 0.00 0.00 30.24 30.53 2bnj n GLN 58 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2bnj n GLY 59 N 3.70 0.28 2.98 1.69 0.00 -1.26 -4.91 105.19 107.66 2bnj n GLY 59 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2bnj n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bnj s ASN 60 N -2.14 5.20 0.44 1.61 0.01 -0.45 -5.09 114.94 114.53 2bnj s ASN 60 Ca 0.00 -3.73 -0.21 0.00 -0.71 0.00 0.00 52.86 48.21 2bnj s ASN 60 Cb 0.00 -1.74 -0.11 0.00 0.41 0.00 0.00 41.25 39.82 2bnj s ASN 60 CO 0.00 -0.13 0.96 -0.36 -1.51 0.00 0.00 177.10 176.06 2bnj s PHE 61 N -1.31 3.28 -0.33 2.20 0.40 -1.26 -4.08 117.98 116.88 2bnj s PHE 61 Ca 0.25 1.60 0.02 0.00 -0.60 0.00 0.00 56.93 58.20 2bnj s PHE 61 Cb -0.07 -2.87 0.10 0.00 0.51 0.00 0.00 43.02 40.69 2bnj s PHE 61 CO -0.14 -0.21 0.08 1.21 0.70 0.00 0.00 175.22 176.86 2bnj s ASN 62 N -2.20 4.37 0.00 1.36 2.47 0.75 -4.98 114.94 116.72 2bnj s ASN 62 Ca 0.63 -1.93 0.23 0.00 0.42 0.00 0.00 52.86 52.21 2bnj s ASN 62 Cb -0.10 -1.24 0.35 0.00 -1.45 0.00 0.00 41.25 38.81 2bnj s ASN 62 CO 0.15 -0.39 1.35 0.49 -3.72 0.00 0.00 177.10 174.98 2bnj n PHE 63 N 4.51 0.34 0.00 0.43 3.72 -1.26 -4.20 117.46 120.99 2bnj n PHE 63 Ca 0.01 -0.17 -0.09 0.00 -0.05 0.00 0.00 57.45 57.15 2bnj n PHE 63 Cb 0.42 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 2bnj n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bnj h ALA 64 N 4.56 -0.04 -0.34 4.37 0.00 -1.94 0.20 119.26 126.07 2bnj h ALA 64 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2bnj h ALA 64 Cb 0.99 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2bnj h ALA 64 CO 0.00 -0.58 0.06 0.78 0.00 0.00 0.00 179.25 179.51 2bnj h GLY 65 N -0.15 0.60 1.01 0.00 0.00 -1.88 -1.55 103.07 101.09 2bnj h GLY 65 Ca 0.09 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 2bnj h GLY 65 CO -0.21 0.37 0.17 0.00 0.00 0.00 0.00 176.54 176.87 2bnj h ALA 66 N 0.90 0.79 -0.81 3.60 0.00 -1.64 -1.84 119.26 120.26 2bnj h ALA 66 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2bnj h ALA 66 Cb 0.34 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2bnj h ALA 66 CO 0.01 0.48 0.51 -0.44 0.00 0.00 0.00 179.25 179.80 2bnj h ASP 67 N 0.87 0.95 -0.19 0.00 3.32 -0.52 -0.78 116.42 120.06 2bnj h ASP 67 Ca 0.19 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.22 2bnj h ASP 67 Cb 0.31 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2bnj h ASP 67 CO -0.00 0.71 0.02 0.22 -1.72 0.00 0.00 179.24 178.47 2bnj h TYR 68 N 1.10 0.03 -0.26 4.55 5.03 -0.75 0.39 116.97 127.06 2bnj h TYR 68 Ca 0.29 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.61 2bnj h TYR 68 Cb -0.08 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 2bnj h TYR 68 CO -0.01 0.00 0.15 1.25 -1.32 0.00 0.00 178.16 178.23 2bnj h LEU 69 N 0.09 0.33 -0.34 2.82 7.12 -0.92 0.00 115.31 124.42 2bnj h LEU 69 Ca 0.09 -0.08 -0.04 0.00 0.13 0.00 0.00 57.88 57.98 2bnj h LEU 69 Cb 0.10 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 2bnj h LEU 69 CO -0.13 0.31 0.07 0.58 -0.13 0.00 0.00 178.44 179.14 2bnj h VAL 70 N 0.31 1.23 -0.26 1.05 2.07 -0.98 -0.09 116.25 119.59 2bnj h VAL 70 Ca 0.09 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2bnj h VAL 70 Cb 0.06 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2bnj h VAL 70 CO -0.02 0.27 0.16 -1.13 0.02 0.00 0.00 177.57 176.87 2bnj h ASN 71 N 0.39 0.31 -0.42 0.57 -1.24 -0.84 -0.38 115.58 113.98 2bnj h ASN 71 Ca 0.10 -0.04 0.02 0.00 0.71 0.00 0.00 56.30 57.09 2bnj h ASN 71 Cb 0.33 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 2bnj h ASN 71 CO 0.00 0.26 0.24 -0.25 -1.29 0.00 0.00 177.43 176.39 2bnj h TRP 72 N 0.34 0.44 -0.09 0.67 7.01 -0.85 -0.52 115.95 122.95 2bnj h TRP 72 Ca 0.10 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.13 2bnj h TRP 72 Cb 0.00 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 2bnj h TRP 72 CO -0.05 0.25 -0.05 0.00 -2.79 0.00 0.00 178.44 175.80 2bnj h ALA 73 N 1.20 0.03 -0.71 2.65 0.00 -0.72 -1.64 119.26 120.07 2bnj h ALA 73 Ca 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2bnj h ALA 73 Cb 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2bnj h ALA 73 CO -0.09 -0.51 0.38 1.96 0.00 0.00 0.00 179.25 180.98 2bnj h GLN 74 N -0.05 1.00 0.00 0.00 4.20 -0.79 0.65 115.11 120.12 2bnj h GLN 74 Ca 0.06 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2bnj h GLN 74 Cb 0.13 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 2bnj h GLN 74 CO -0.12 0.76 -0.10 1.96 -0.67 0.00 0.00 178.83 180.66 2bnj h GLN 75 N 0.99 0.00 -0.31 1.46 4.20 -0.80 -3.00 115.11 117.64 2bnj h GLN 75 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2bnj h GLN 75 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2bnj h GLN 75 CO -0.04 0.10 0.00 0.09 -0.67 0.00 0.00 178.83 178.31 2bnj n ASN 76 N -4.07 2.92 -1.40 1.46 3.02 -0.64 -4.99 115.26 111.56 2bnj n ASN 76 Ca -0.02 -2.08 -0.11 0.00 -0.03 0.00 0.00 54.58 52.34 2bnj n ASN 76 Cb 0.19 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 2bnj n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bnj n GLY 77 N 0.35 -0.02 3.68 7.41 0.00 -0.06 -5.00 105.19 111.55 2bnj n GLY 77 Ca 0.11 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 2bnj n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bnj s LYS 78 N -4.77 3.35 0.78 1.61 -0.14 0.02 -4.90 119.74 115.69 2bnj s LYS 78 Ca 0.06 -0.36 -0.11 0.00 -1.36 0.00 0.00 55.97 54.21 2bnj s LYS 78 Cb -0.03 -2.96 0.06 0.00 -1.68 0.00 0.00 37.83 33.22 2bnj s LYS 78 CO 0.08 0.57 1.09 -0.51 -0.76 0.00 0.00 175.35 175.83 2bnj s LEU 79 N -0.50 3.03 -0.06 3.17 1.43 -0.31 -4.33 118.68 121.11 2bnj s LEU 79 Ca 0.09 1.85 0.03 0.00 -1.03 0.00 0.00 54.13 55.07 2bnj s LEU 79 Cb -0.12 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.58 2bnj s LEU 79 CO 0.02 -2.09 -0.15 -0.63 0.23 0.00 0.00 176.35 173.73 2bnj s ILE 80 N -2.88 1.32 -0.26 -0.59 1.01 -1.26 -0.47 121.20 118.07 2bnj s ILE 80 Ca 0.62 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 2bnj s ILE 80 Cb -0.17 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 2bnj s ILE 80 CO 0.56 0.39 0.08 -0.13 0.00 0.00 0.00 174.94 175.84 2bnj s ARG 81 N 0.36 3.56 0.33 2.79 0.52 -0.76 -1.21 118.95 124.53 2bnj s ARG 81 Ca -0.10 -0.54 -0.28 0.00 -0.52 0.00 0.00 55.73 54.29 2bnj s ARG 81 Cb -0.14 -3.36 -0.09 0.00 0.52 0.00 0.00 34.95 31.88 2bnj s ARG 81 CO 0.03 -0.24 1.12 0.20 0.02 0.00 0.00 175.30 176.43 2bnj s GLY 82 N 1.60 2.97 -0.25 -3.53 0.00 0.54 -4.07 107.32 104.59 2bnj s GLY 82 Ca 0.06 0.90 -0.09 0.00 0.00 0.00 0.00 44.72 45.59 2bnj s GLY 82 CO 0.04 1.47 0.54 -1.58 0.00 0.00 0.00 173.10 173.56 2bnj s HIS 83 N -1.29 -1.05 -0.05 1.90 5.04 -1.26 -0.66 115.29 117.92 2bnj s HIS 83 Ca 0.49 1.92 -0.08 0.00 -1.54 0.00 0.00 55.06 55.85 2bnj s HIS 83 Cb -0.31 0.55 0.02 0.00 0.04 0.00 0.00 32.58 32.88 2bnj s HIS 83 CO 0.39 -0.56 0.20 -0.08 -2.34 0.00 0.00 174.74 172.35 2bnj s THR 84 N 2.64 0.03 -0.07 0.89 -1.32 -1.24 -3.50 115.64 113.07 2bnj s THR 84 Ca -0.04 -0.27 -0.19 0.00 -1.21 0.00 0.00 61.69 59.98 2bnj s THR 84 Cb -0.11 -0.38 -0.30 0.00 -1.51 0.00 0.00 72.50 70.20 2bnj s THR 84 CO -0.16 -0.15 0.73 -0.07 -2.21 0.00 0.00 174.62 172.77 2bnj h LEU 85 N 5.11 0.44 -7.77 9.08 3.38 -1.32 -3.39 115.31 120.84 2bnj h LEU 85 Ca -0.28 -0.90 -0.58 0.00 0.09 0.00 0.00 57.88 56.21 2bnj h LEU 85 Cb 1.19 -0.14 -0.37 0.00 0.09 0.00 0.00 40.66 41.43 2bnj h LEU 85 CO 0.39 1.52 -0.81 -0.69 0.09 0.00 0.00 178.44 178.93 2bnj s VAL 86 N -2.46 1.37 -0.19 1.22 1.01 0.17 -4.86 120.40 116.66 2bnj s VAL 86 Ca -0.16 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 2bnj s VAL 86 Cb 0.03 -1.40 0.10 0.00 0.00 0.00 0.00 36.38 35.11 2bnj s VAL 86 CO 0.80 0.30 0.90 0.86 0.00 0.00 0.00 175.10 177.96 2bnj s TRP 87 N 1.54 -0.53 -0.52 5.22 -0.00 -1.26 -1.37 118.94 122.01 2bnj s TRP 87 Ca 0.03 1.12 0.24 0.00 -0.00 0.00 0.00 56.10 57.48 2bnj s TRP 87 Cb -0.14 0.38 0.42 0.00 -0.00 0.00 0.00 33.47 34.13 2bnj s TRP 87 CO -0.09 -0.37 1.51 1.12 -0.00 0.00 0.00 176.95 179.13 2bnj h HIS 88 N 3.57 0.00 -2.61 5.86 2.07 -1.92 -3.44 115.15 118.69 2bnj h HIS 88 Ca -0.25 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 56.79 2bnj h HIS 88 Cb 1.16 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.14 2bnj h HIS 88 CO 0.33 0.00 -0.29 -1.12 -3.07 0.00 0.00 177.93 173.79 2bnj s SER 89 N -5.25 6.32 -1.58 3.10 0.01 -1.26 -4.32 113.70 110.71 2bnj s SER 89 Ca 0.07 0.32 -0.13 0.00 1.31 0.00 0.00 55.95 57.52 2bnj s SER 89 Cb 0.09 -1.97 0.10 0.00 0.21 0.00 0.00 66.02 64.45 2bnj s SER 89 CO 0.68 -0.19 0.74 0.00 0.41 0.00 0.00 173.24 174.88 2bnj n GLN 90 N -1.52 -3.78 -4.23 12.44 6.02 -1.26 -4.88 117.38 120.18 2bnj n GLN 90 Ca -0.06 0.44 -0.34 0.00 -0.01 0.00 0.00 57.00 57.03 2bnj n GLN 90 Cb 0.56 -5.05 -0.14 0.00 1.02 0.00 0.00 30.24 26.63 2bnj n GLN 90 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2bnj s LEU 91 N -7.18 2.74 0.62 1.08 2.96 -1.26 -1.57 118.68 116.06 2bnj s LEU 91 Ca 0.53 -0.40 -0.19 0.00 -0.22 0.00 0.00 54.13 53.85 2bnj s LEU 91 Cb -0.28 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 2bnj s LEU 91 CO 0.89 0.05 1.27 -2.65 -1.32 0.00 0.00 176.35 174.59 2bnj n PRO 92 N 4.33 1.23 0.25 0.98 -0.02 -1.26 -4.85 135.00 135.67 2bnj n PRO 92 Ca -0.19 0.47 0.09 0.00 -2.02 0.00 0.00 63.50 61.86 2bnj n PRO 92 Cb 0.51 -2.50 0.66 0.00 -0.02 0.00 0.00 33.50 32.15 2bnj n PRO 92 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2bnj h SER 93 N 0.75 0.00 -0.08 2.55 4.64 -1.99 -1.46 113.55 117.97 2bnj h SER 93 Ca -0.51 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.84 2bnj h SER 93 Cb 1.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2bnj h SER 93 CO 0.54 0.08 0.06 4.11 -0.87 0.00 0.00 176.83 180.75 2bnj h TRP 94 N 0.00 0.00 0.00 4.77 5.08 -1.90 -1.30 115.95 122.60 2bnj h TRP 94 Ca -0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 2bnj h TRP 94 Cb 0.17 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.32 2bnj h TRP 94 CO 0.00 0.00 -0.09 0.28 -1.28 0.00 0.00 178.44 177.35 2bnj h VAL 95 N 0.00 1.73 0.00 0.12 2.07 -1.63 -3.36 116.25 115.19 2bnj h VAL 95 Ca 0.04 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.22 2bnj h VAL 95 Cb 0.15 3.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 2bnj h VAL 95 CO -0.00 0.59 0.00 0.77 0.02 0.00 0.00 177.57 178.95 2bnj h SER 96 N -1.00 0.00 0.44 0.57 4.64 -1.33 -1.92 113.55 114.95 2bnj h SER 96 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2bnj h SER 96 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2bnj h SER 96 CO -0.02 0.00 -0.15 -1.54 -0.87 0.00 0.00 176.83 174.25 2bnj n SER 97 N -2.45 0.46 -4.71 4.97 3.41 -0.51 -4.87 113.62 109.91 2bnj n SER 97 Ca 0.02 -0.44 -0.42 0.00 -0.26 0.00 0.00 58.87 57.77 2bnj n SER 97 Cb 0.26 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 2bnj n SER 97 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2bnj s ILE 98 N -2.59 4.06 -0.43 -1.33 1.01 -0.72 -4.93 121.20 116.27 2bnj s ILE 98 Ca 0.25 1.50 0.05 0.00 0.00 0.00 0.00 60.65 62.45 2bnj s ILE 98 Cb 0.20 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 2bnj s ILE 98 CO 0.51 0.13 0.42 0.35 0.00 0.00 0.00 174.94 176.35 2bnj n THR 99 N 3.79 0.00 -3.48 2.92 -2.24 -1.26 -4.97 114.28 109.04 2bnj n THR 99 Ca 0.08 -0.44 -0.37 0.00 -2.27 0.00 0.00 64.05 61.05 2bnj n THR 99 Cb 0.47 1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 69.67 2bnj n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bnj s ASP 100 N -0.94 6.38 0.13 3.42 2.15 -1.26 -4.94 116.67 121.60 2bnj s ASP 100 Ca 0.04 0.44 -0.22 0.00 0.43 0.00 0.00 52.55 53.24 2bnj s ASP 100 Cb 0.04 -2.19 -0.03 0.00 -0.30 0.00 0.00 42.92 40.44 2bnj s ASP 100 CO 0.13 0.01 1.67 0.50 -0.17 0.00 0.00 175.17 177.31 2bnj h LYS 101 N 7.17 -0.16 -0.62 4.34 3.64 -1.96 -1.13 116.57 127.85 2bnj h LYS 101 Ca -0.38 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.93 2bnj h LYS 101 Cb 1.16 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2bnj h LYS 101 CO 0.72 -0.11 0.07 -0.91 -2.27 0.00 0.00 179.45 176.96 2bnj h ASN 102 N -0.17 1.01 -0.13 4.20 2.35 -1.94 -0.29 115.58 120.61 2bnj h ASN 102 Ca 0.09 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.59 2bnj h ASN 102 Cb 0.29 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 2bnj h ASN 102 CO -0.22 1.03 -0.04 0.74 -1.65 0.00 0.00 177.43 177.28 2bnj h THR 103 N 0.95 0.84 -0.30 2.81 2.02 -1.90 -0.95 112.91 116.38 2bnj h THR 103 Ca 0.18 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.20 2bnj h THR 103 Cb 0.47 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2bnj h THR 103 CO 0.02 0.00 -0.45 0.25 0.37 0.00 0.00 175.52 175.70 2bnj h LEU 104 N -0.02 0.84 -0.39 2.58 5.85 -1.04 -0.99 115.31 122.14 2bnj h LEU 104 Ca 0.07 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.41 2bnj h LEU 104 Cb 0.12 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2bnj h LEU 104 CO -0.15 1.17 0.18 0.74 -0.34 0.00 0.00 178.44 180.04 2bnj h THR 105 N 0.62 0.96 -0.27 1.05 2.02 -0.84 0.64 112.91 117.09 2bnj h THR 105 Ca 0.04 -0.13 -0.14 0.00 0.77 0.00 0.00 66.41 66.95 2bnj h THR 105 Cb 1.02 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2bnj h THR 105 CO 0.10 0.07 -0.41 0.78 0.37 0.00 0.00 175.52 176.43 2bnj h ASN 106 N 0.38 0.69 -0.04 4.18 2.35 -1.03 -0.16 115.58 121.94 2bnj h ASN 106 Ca 0.17 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2bnj h ASN 106 Cb 0.10 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 2bnj h ASN 106 CO -0.13 1.02 0.03 0.58 -1.65 0.00 0.00 177.43 177.27 2bnj h VAL 107 N 0.53 1.06 -0.15 2.81 2.07 -0.87 -0.15 116.25 121.55 2bnj h VAL 107 Ca 0.04 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2bnj h VAL 107 Cb 0.94 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2bnj h VAL 107 CO 0.08 0.05 0.07 -0.03 0.02 0.00 0.00 177.57 177.77 2bnj h MET 108 N 0.01 0.22 -0.69 1.57 1.85 -0.65 0.09 114.93 117.32 2bnj h MET 108 Ca 0.02 -0.03 0.02 0.00 -0.61 0.00 0.00 59.70 59.09 2bnj h MET 108 Cb 0.05 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.00 2bnj h MET 108 CO -0.00 0.26 0.45 0.87 -0.40 0.00 0.00 176.91 178.09 2bnj h LYS 109 N 0.12 0.86 -0.65 0.39 1.57 -0.98 -1.10 116.57 116.79 2bnj h LYS 109 Ca 0.05 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2bnj h LYS 109 Cb 0.11 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2bnj h LYS 109 CO -0.01 0.57 0.18 -0.97 -0.57 0.00 0.00 179.45 178.66 2bnj h ASN 110 N 0.89 0.97 -0.13 0.86 -1.24 -0.70 0.40 115.58 116.63 2bnj h ASN 110 Ca 0.27 -0.22 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 2bnj h ASN 110 Cb -0.04 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.75 2bnj h ASN 110 CO -0.08 0.93 0.07 -0.74 -1.29 0.00 0.00 177.43 176.31 2bnj h HIS 111 N 0.96 0.18 0.12 0.67 2.76 -0.65 -0.13 115.15 119.06 2bnj h HIS 111 Ca 0.21 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2bnj h HIS 111 Cb 0.32 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 2bnj h HIS 111 CO 0.02 0.22 -0.13 0.82 -1.30 0.00 0.00 177.93 177.56 2bnj h ILE 112 N 0.10 0.71 -0.50 6.26 2.04 -0.99 -2.82 117.51 122.31 2bnj h ILE 112 Ca 0.04 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.80 2bnj h ILE 112 Cb 0.10 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2bnj h ILE 112 CO -0.01 0.00 -0.12 0.74 0.00 0.00 0.00 178.15 178.76 2bnj h THR 113 N -0.28 1.27 -0.01 -0.27 2.02 -0.76 -1.46 112.91 113.43 2bnj h THR 113 Ca 0.01 -1.26 -0.00 0.00 0.77 0.00 0.00 66.41 65.93 2bnj h THR 113 Cb 0.27 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2bnj h THR 113 CO -0.04 0.44 0.00 0.74 0.37 0.00 0.00 175.52 177.03 2bnj h THR 114 N 0.84 1.15 -0.24 3.16 2.02 -1.01 0.20 112.91 119.03 2bnj h THR 114 Ca 0.13 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 2bnj h THR 114 Cb 0.66 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2bnj h THR 114 CO 0.05 0.12 0.06 -0.07 0.37 0.00 0.00 175.52 176.04 2bnj h LEU 115 N -0.18 0.37 -0.82 2.58 4.07 -1.42 -2.02 115.31 117.91 2bnj h LEU 115 Ca 0.00 -0.23 -0.12 0.00 0.08 0.00 0.00 57.88 57.61 2bnj h LEU 115 Cb 0.19 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 2bnj h LEU 115 CO -0.00 0.51 -0.39 0.24 -1.08 0.00 0.00 178.44 177.72 2bnj h MET 116 N 0.22 0.42 -0.24 1.13 2.86 -1.22 -2.90 114.93 115.21 2bnj h MET 116 Ca 0.08 -0.20 -0.14 0.00 -2.06 0.00 0.00 59.70 57.37 2bnj h MET 116 Cb 0.28 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2bnj h MET 116 CO 0.00 0.75 -0.45 1.15 1.06 0.00 0.00 176.91 179.42 2bnj h THR 117 N 0.36 1.30 -0.96 2.22 2.02 -0.90 -1.66 112.91 115.29 2bnj h THR 117 Ca 0.04 -1.64 0.02 0.00 0.77 0.00 0.00 66.41 65.59 2bnj h THR 117 Cb 0.84 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 68.80 2bnj h THR 117 CO 0.07 0.52 0.63 -0.09 0.37 0.00 0.00 175.52 177.02 2bnj h ARG 118 N 0.48 1.24 -0.43 6.66 2.43 -1.16 -2.44 114.38 121.17 2bnj h ARG 118 Ca 0.03 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2bnj h ARG 118 Cb 0.97 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2bnj h ARG 118 CO 0.09 0.82 0.02 0.66 -1.51 0.00 0.00 179.97 180.04 2bnj n TYR 119 N -4.40 1.53 -1.65 2.20 4.01 -1.16 -5.03 117.16 112.66 2bnj n TYR 119 Ca 0.12 -0.86 -0.47 0.00 -0.16 0.00 0.00 57.90 56.53 2bnj n TYR 119 Cb 0.04 -0.43 -0.04 0.00 -0.31 0.00 0.00 39.34 38.60 2bnj n TYR 119 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2bnj n LYS 120 N -0.04 1.90 -0.98 -0.72 4.81 -0.63 -1.13 118.16 121.37 2bnj n LYS 120 Ca 0.26 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 2bnj n LYS 120 Cb 1.06 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.73 2bnj n LYS 120 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bnj n GLY 121 N 2.86 0.94 0.15 3.14 0.00 -1.26 -4.86 105.19 106.17 2bnj n GLY 121 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 2bnj n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bnj n LYS 122 N -2.02 2.35 -4.62 1.61 5.02 -0.28 -4.99 118.16 115.22 2bnj n LYS 122 Ca 0.00 -0.36 -0.33 0.00 -2.02 0.00 0.00 58.31 55.60 2bnj n LYS 122 Cb 0.00 -1.14 -0.16 0.00 -0.02 0.00 0.00 35.03 33.71 2bnj n LYS 122 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2bnj s ILE 123 N -1.92 2.18 0.21 -0.18 -1.09 -1.25 -4.58 121.20 114.56 2bnj s ILE 123 Ca 0.08 -0.94 -0.01 0.00 -2.23 0.00 0.00 60.65 57.56 2bnj s ILE 123 Cb 0.10 -1.88 -0.04 0.00 -1.58 0.00 0.00 42.46 39.06 2bnj s ILE 123 CO 0.43 0.54 1.54 0.08 -1.23 0.00 0.00 174.94 176.29 2bnj h ARG 124 N 7.35 0.46 -2.37 2.79 0.11 -1.51 -3.39 114.38 117.82 2bnj h ARG 124 Ca -0.33 -0.29 -0.08 0.00 0.10 0.00 0.00 59.98 59.38 2bnj h ARG 124 Cb 1.19 0.03 -0.20 0.00 1.11 0.00 0.00 29.97 32.10 2bnj h ARG 124 CO 0.56 0.88 0.02 0.00 0.10 0.00 0.00 179.97 181.54 2bnj s ALA 125 N -3.96 -1.42 -0.07 0.08 0.00 -1.23 -0.83 121.76 114.33 2bnj s ALA 125 Ca -0.06 1.00 0.04 0.00 0.00 0.00 0.00 51.96 52.94 2bnj s ALA 125 Cb 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 2bnj s ALA 125 CO 0.82 -0.33 -0.22 -1.58 0.00 0.00 0.00 175.76 174.46 2bnj s TRP 126 N -1.16 2.24 -0.90 0.00 0.52 -0.23 -0.34 118.94 119.07 2bnj s TRP 126 Ca -0.11 -0.79 -0.24 0.00 0.02 0.00 0.00 56.10 54.97 2bnj s TRP 126 Cb -0.02 -1.50 0.02 0.00 -1.15 0.00 0.00 33.47 30.82 2bnj s TRP 126 CO 0.08 -0.30 1.52 -0.51 0.02 0.00 0.00 176.95 177.75 2bnj s ASP 127 N 0.17 6.11 0.04 2.95 1.01 0.17 -0.47 116.67 126.65 2bnj s ASP 127 Ca -0.11 -0.95 -0.19 0.00 0.71 0.00 0.00 52.55 52.01 2bnj s ASP 127 Cb -0.15 -2.56 -0.16 0.00 1.01 0.00 0.00 42.92 41.06 2bnj s ASP 127 CO 0.06 -1.85 1.28 0.58 0.21 0.00 0.00 175.17 175.45 2bnj h VAL 128 N 6.69 1.37 -3.45 -1.27 2.07 -1.29 -1.60 116.25 118.77 2bnj h VAL 128 Ca 0.03 -1.59 -0.59 0.00 0.82 0.00 0.00 66.70 65.37 2bnj h VAL 128 Cb 1.03 2.03 -0.33 0.00 -1.52 0.00 0.00 31.29 32.51 2bnj h VAL 128 CO 1.34 0.47 -0.84 -0.69 0.02 0.00 0.00 177.57 177.87 2bnj s VAL 129 N -3.96 1.54 -0.06 2.57 1.01 -1.21 -0.66 120.40 119.64 2bnj s VAL 129 Ca -0.13 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.17 2bnj s VAL 129 Cb 0.05 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 2bnj s VAL 129 CO 0.79 0.45 -0.22 0.21 0.00 0.00 0.00 175.10 176.32 2bnj s ASN 130 N 0.46 3.30 -1.31 3.32 2.47 -0.47 -1.50 114.94 121.21 2bnj s ASN 130 Ca -0.15 -0.44 -0.04 0.00 0.42 0.00 0.00 52.86 52.65 2bnj s ASN 130 Cb -0.16 -0.84 0.01 0.00 -1.45 0.00 0.00 41.25 38.81 2bnj s ASN 130 CO 0.06 0.26 1.01 -0.62 -3.72 0.00 0.00 177.10 174.09 2bnj n GLU 131 N 2.83 -6.64 0.08 0.43 1.02 -0.29 -4.59 120.64 113.47 2bnj n GLU 131 Ca -0.17 0.78 0.13 0.00 -0.02 0.00 0.00 57.16 57.87 2bnj n GLU 131 Cb 0.52 -5.72 0.46 0.00 -0.02 0.00 0.00 31.44 26.68 2bnj n GLU 131 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bnj n ALA 132 N -4.49 2.14 -2.65 0.62 0.00 -1.26 -4.80 120.51 110.06 2bnj n ALA 132 Ca -0.16 -0.02 -0.34 0.00 0.00 0.00 0.00 53.44 52.91 2bnj n ALA 132 Cb 0.62 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 2bnj n ALA 132 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2bnj s PHE 133 N -3.11 3.08 0.84 0.00 0.40 -1.26 -0.27 117.98 117.65 2bnj s PHE 133 Ca 0.10 0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 56.44 2bnj s PHE 133 Cb 0.13 -1.75 0.10 0.00 0.51 0.00 0.00 43.02 42.01 2bnj s PHE 133 CO 0.52 0.43 1.10 -0.80 0.70 0.00 0.00 175.22 177.17 2bnj s ASN 134 N -0.95 4.07 0.50 1.36 0.01 0.87 -4.61 114.94 116.19 2bnj s ASN 134 Ca 0.14 1.28 0.20 0.00 -0.71 0.00 0.00 52.86 53.76 2bnj s ASN 134 Cb -0.11 -1.97 1.28 0.00 0.41 0.00 0.00 41.25 40.85 2bnj s ASN 134 CO 0.03 -2.23 2.08 -0.33 -1.51 0.00 0.00 177.10 175.14 2bnj h GLU 135 N -1.27 0.00 -0.00 -0.60 4.39 -1.99 -1.60 114.58 113.50 2bnj h GLU 135 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2bnj h GLU 135 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2bnj h GLU 135 CO 0.59 0.10 0.00 -0.40 -1.16 0.00 0.00 179.01 178.14 2bnj n ASP 136 N -4.16 0.48 0.00 1.42 5.68 -1.26 -3.21 116.55 115.50 2bnj n ASP 136 Ca -0.03 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.10 2bnj n ASP 136 Cb 0.18 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 2bnj n ASP 136 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bnj n GLY 137 N 1.06 0.81 3.75 6.12 0.00 -0.60 -4.71 105.19 111.62 2bnj n GLY 137 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2bnj n GLY 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bnj s SER 138 N -2.53 3.94 0.09 1.61 1.04 -1.26 -4.77 113.70 111.82 2bnj s SER 138 Ca 0.00 1.44 -0.30 0.00 0.48 0.00 0.00 55.95 57.57 2bnj s SER 138 Cb 0.00 -2.14 -0.06 0.00 0.10 0.00 0.00 66.02 63.92 2bnj s SER 138 CO 0.00 -2.34 1.05 -0.76 0.98 0.00 0.00 173.24 172.17 2bnj s LEU 139 N -6.03 4.44 0.25 2.42 1.43 -1.26 -0.09 118.68 119.84 2bnj s LEU 139 Ca 0.62 1.89 -0.31 0.00 -1.03 0.00 0.00 54.13 55.30 2bnj s LEU 139 Cb -0.16 -3.59 -0.12 0.00 0.03 0.00 0.00 46.19 42.35 2bnj s LEU 139 CO 0.56 -0.23 1.63 -1.14 0.23 0.00 0.00 176.35 177.40 2bnj n ARG 140 N 3.14 2.66 -2.17 1.70 0.63 0.63 -4.66 116.66 118.58 2bnj n ARG 140 Ca 0.04 0.95 -0.34 0.00 -0.92 0.00 0.00 57.85 57.58 2bnj n ARG 140 Cb 0.48 -2.75 -0.04 0.00 0.45 0.00 0.00 32.46 30.60 2bnj n ARG 140 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2bnj s GLN 141 N 0.21 2.79 0.38 -0.14 -1.52 -1.26 -4.76 119.66 115.36 2bnj s GLN 141 Ca 0.69 -0.08 0.08 0.00 -1.95 0.00 0.00 55.36 54.10 2bnj s GLN 141 Cb -0.52 -4.77 -0.07 0.00 -0.22 0.00 0.00 33.01 27.42 2bnj s GLN 141 CO 0.42 -2.87 -0.02 0.95 -0.25 0.00 0.00 175.29 173.52 2bnj s THR 142 N 8.58 2.03 0.30 -0.19 -4.23 -1.26 -5.01 115.64 115.86 2bnj s THR 142 Ca 0.62 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 2bnj s THR 142 Cb -0.08 -2.86 0.29 0.00 1.34 0.00 0.00 72.50 71.19 2bnj s THR 142 CO 0.07 -0.08 1.88 1.62 -0.54 0.00 0.00 174.62 177.58 2bnj h VAL 143 N 1.89 1.00 -0.34 2.29 3.04 -1.93 -0.22 116.25 121.98 2bnj h VAL 143 Ca -0.43 -0.34 -0.00 0.00 -1.01 0.00 0.00 66.70 64.91 2bnj h VAL 143 Cb 1.24 -0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 30.43 2bnj h VAL 143 CO 0.77 0.18 0.20 -0.26 -1.01 0.00 0.00 177.57 177.44 2bnj h PHE 144 N 1.00 0.45 -0.56 3.17 0.04 -1.96 -0.24 116.94 118.84 2bnj h PHE 144 Ca 0.43 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.13 2bnj h PHE 144 Cb 0.33 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 2bnj h PHE 144 CO -0.00 0.34 0.10 1.25 -0.60 0.00 0.00 178.31 179.40 2bnj h LEU 145 N 0.43 0.88 -0.34 1.54 5.85 -1.62 -0.77 115.31 121.27 2bnj h LEU 145 Ca 0.12 -0.26 -0.19 0.00 0.84 0.00 0.00 57.88 58.40 2bnj h LEU 145 Cb 0.03 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2bnj h LEU 145 CO -0.02 0.91 -0.65 0.78 -0.34 0.00 0.00 178.44 179.12 2bnj h ASN 146 N 0.81 0.77 0.05 1.25 2.35 -0.89 -1.32 115.58 118.60 2bnj h ASN 146 Ca 0.17 -0.45 -0.38 0.00 -0.55 0.00 0.00 56.30 55.09 2bnj h ASN 146 Cb 0.40 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.50 2bnj h ASN 146 CO 0.01 1.22 -2.23 0.52 -1.65 0.00 0.00 177.43 175.29 2bnj n VAL 147 N -3.94 1.61 0.03 2.81 0.31 -0.12 -4.52 118.33 114.51 2bnj n VAL 147 Ca -0.05 -0.56 -0.22 0.00 -0.01 0.00 0.00 64.34 63.50 2bnj n VAL 147 Cb 0.67 -1.61 -0.14 0.00 -0.91 0.00 0.00 33.84 31.84 2bnj n VAL 147 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2bnj h ILE 148 N -0.11 0.78 0.00 2.52 2.04 -1.30 -3.37 117.51 118.07 2bnj h ILE 148 Ca -0.52 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 62.93 2bnj h ILE 148 Cb 1.89 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 40.59 2bnj h ILE 148 CO -0.06 0.86 0.00 0.61 0.00 0.00 0.00 178.15 179.56 2bnj n GLY 149 N 1.91 -1.40 0.43 5.37 0.00 -0.50 -4.55 105.19 106.46 2bnj n GLY 149 Ca -0.29 -2.13 0.24 0.00 0.00 0.00 0.00 46.02 43.84 2bnj n GLY 149 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bnj h GLU 150 N 2.41 0.20 0.00 1.61 4.39 -1.90 -1.25 114.58 120.04 2bnj h GLU 150 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2bnj h GLU 150 Cb 0.00 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2bnj h GLU 150 CO 0.00 0.13 0.00 -0.25 -1.16 0.00 0.00 179.01 177.73 2bnj n ASP 151 N -4.41 0.16 0.00 1.42 8.00 -1.26 -3.40 116.55 117.07 2bnj n ASP 151 Ca 0.19 0.55 0.02 0.00 0.71 0.00 0.00 54.79 56.27 2bnj n ASP 151 Cb 0.83 -0.58 0.37 0.00 -0.02 0.00 0.00 41.12 41.72 2bnj n ASP 151 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2bnj h TYR 152 N 0.00 0.52 0.17 1.24 -0.00 -1.50 0.55 116.97 117.95 2bnj h TYR 152 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.73 58.71 2bnj h TYR 152 Cb 0.16 -0.16 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2bnj h TYR 152 CO 0.00 0.41 -0.08 0.82 -0.00 0.00 0.00 178.16 179.31 2bnj h ILE 153 N 0.52 0.86 -0.77 -0.90 2.04 -1.81 0.44 117.51 117.90 2bnj h ILE 153 Ca 0.13 -1.09 0.15 0.00 1.00 0.00 0.00 64.86 65.05 2bnj h ILE 153 Cb 0.11 1.43 -0.15 0.00 -0.74 0.00 0.00 36.82 37.48 2bnj h ILE 153 CO -0.01 0.22 -0.19 -0.65 0.00 0.00 0.00 178.15 177.51 2bnj h PRO 154 N -0.84 -0.00 -0.35 2.37 0.11 -1.72 -1.89 132.00 129.68 2bnj h PRO 154 Ca -0.02 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 2bnj h PRO 154 Cb 0.53 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 2bnj h PRO 154 CO 0.04 -0.00 0.14 0.82 -0.21 0.00 0.00 178.00 178.78 2bnj h ILE 155 N -0.00 1.19 -0.35 4.15 2.04 -0.85 -0.36 117.51 123.33 2bnj h ILE 155 Ca 0.37 -0.59 0.04 0.00 1.00 0.00 0.00 64.86 65.68 2bnj h ILE 155 Cb 0.56 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 2bnj h ILE 155 CO -0.79 0.21 0.11 0.00 0.00 0.00 0.00 178.15 177.68 2bnj h ALA 156 N 0.98 0.40 -0.39 1.87 0.00 -0.43 -0.66 119.26 121.02 2bnj h ALA 156 Ca 0.12 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2bnj h ALA 156 Cb 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2bnj h ALA 156 CO -0.01 -0.28 -0.34 0.74 0.00 0.00 0.00 179.25 179.36 2bnj h PHE 157 N 0.26 1.11 -0.69 0.00 0.04 -1.22 -1.00 116.94 115.43 2bnj h PHE 157 Ca 0.16 -0.32 -0.05 0.00 2.80 0.00 0.00 57.97 60.56 2bnj h PHE 157 Cb 0.14 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 2bnj h PHE 157 CO -0.15 1.14 0.23 0.37 -0.60 0.00 0.00 178.31 179.30 2bnj h GLN 158 N 0.75 1.05 -0.33 1.51 5.75 -0.78 -0.65 115.11 122.41 2bnj h GLN 158 Ca 0.07 -0.21 -0.05 0.00 -0.15 0.00 0.00 58.65 58.31 2bnj h GLN 158 Cb 0.93 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 2bnj h GLN 158 CO 0.09 0.89 0.02 1.15 -2.65 0.00 0.00 178.83 178.33 2bnj h THR 159 N 1.01 1.25 -0.30 2.39 2.02 -1.06 -2.37 112.91 115.86 2bnj h THR 159 Ca 0.23 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.52 2bnj h THR 159 Cb 0.27 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2bnj h THR 159 CO -0.01 0.30 0.16 0.00 0.37 0.00 0.00 175.52 176.34 2bnj h ALA 160 N 0.87 0.36 -0.85 6.16 0.00 -0.79 -1.99 119.26 123.03 2bnj h ALA 160 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2bnj h ALA 160 Cb 0.41 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2bnj h ALA 160 CO 0.01 -0.22 0.51 -0.09 0.00 0.00 0.00 179.25 179.46 2bnj h ARG 161 N 0.33 0.86 -0.15 0.00 9.65 -1.04 -1.67 114.38 122.37 2bnj h ARG 161 Ca 0.12 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.89 2bnj h ARG 161 Cb 0.02 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 2bnj h ARG 161 CO -0.07 0.57 -0.18 0.00 2.80 0.00 0.00 179.97 183.09 2bnj h ALA 162 N 1.43 1.42 0.05 2.80 0.00 -1.04 -2.99 119.26 120.93 2bnj h ALA 162 Ca 0.39 -0.25 -0.26 0.00 0.00 0.00 0.00 54.91 54.79 2bnj h ALA 162 Cb 0.28 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.00 2bnj h ALA 162 CO -0.21 0.40 -1.05 0.00 0.00 0.00 0.00 179.25 178.39 2bnj h ALA 163 N 1.59 0.07 -1.58 0.00 0.00 -0.58 -3.43 119.26 115.33 2bnj h ALA 163 Ca 0.04 -0.71 -0.19 0.00 0.00 0.00 0.00 54.91 54.05 2bnj h ALA 163 Cb 0.46 0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.06 2bnj h ALA 163 CO 0.03 0.63 -0.55 0.34 0.00 0.00 0.00 179.25 179.71 2bnj s ASP 164 N -7.26 0.07 0.00 0.00 2.15 -0.88 -4.54 116.67 106.21 2bnj s ASP 164 Ca -0.10 -0.71 0.13 0.00 0.43 0.00 0.00 52.55 52.29 2bnj s ASP 164 Cb 0.06 1.20 0.55 0.00 -0.30 0.00 0.00 42.92 44.43 2bnj s ASP 164 CO 0.91 -0.29 1.41 -0.81 -0.17 0.00 0.00 175.17 176.22 2bnj n PRO 165 N 4.91 0.00 0.15 4.34 -0.04 -1.13 -2.55 135.00 140.68 2bnj n PRO 165 Ca 0.06 0.28 0.03 0.00 -0.04 0.00 0.00 63.50 63.83 2bnj n PRO 165 Cb 0.50 -1.51 0.06 0.00 -0.04 0.00 0.00 33.50 32.51 2bnj n PRO 165 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2bnj h ASN 166 N 0.00 0.00 -3.76 3.54 -0.00 -1.94 -3.46 115.58 109.96 2bnj h ASN 166 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 56.30 55.80 2bnj h ASN 166 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.53 2bnj h ASN 166 CO 0.00 0.47 0.39 0.00 -0.00 0.00 0.00 177.43 178.29 2bnj s ALA 167 N -3.02 3.36 -0.13 1.57 0.00 -1.06 -4.91 121.76 117.57 2bnj s ALA 167 Ca 0.04 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 2bnj s ALA 167 Cb 0.08 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 2bnj s ALA 167 CO 0.74 0.09 1.05 0.15 0.00 0.00 0.00 175.76 177.79 2bnj s LYS 168 N -1.21 4.36 -0.32 0.00 -0.14 -0.01 -4.89 119.74 117.53 2bnj s LYS 168 Ca 0.42 1.43 -0.18 0.00 -1.36 0.00 0.00 55.97 56.29 2bnj s LYS 168 Cb -0.28 -3.58 -0.01 0.00 -1.68 0.00 0.00 37.83 32.28 2bnj s LYS 168 CO 0.35 -0.44 0.49 -0.51 -0.76 0.00 0.00 175.35 174.48 2bnj s LEU 169 N 2.43 4.26 0.00 3.17 1.43 -1.26 -1.07 118.68 127.63 2bnj s LEU 169 Ca 0.49 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 2bnj s LEU 169 Cb -0.18 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 2bnj s LEU 169 CO 0.15 -0.40 -0.01 -0.31 0.23 0.00 0.00 176.35 176.01 2bnj s TYR 170 N 2.32 3.04 -0.19 0.29 1.51 0.38 -0.24 117.35 124.47 2bnj s TYR 170 Ca 0.18 0.06 -0.09 0.00 -1.01 0.00 0.00 57.07 56.21 2bnj s TYR 170 Cb -0.16 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 39.99 2bnj s TYR 170 CO 0.12 0.45 0.13 -1.50 -1.11 0.00 0.00 175.55 173.64 2bnj s ILE 171 N -1.08 5.39 -0.02 2.71 2.07 -0.77 -0.81 121.20 128.69 2bnj s ILE 171 Ca 0.19 0.18 0.06 0.00 -1.41 0.00 0.00 60.65 59.68 2bnj s ILE 171 Cb -0.11 -3.44 -0.01 0.00 0.13 0.00 0.00 42.46 39.02 2bnj s ILE 171 CO 0.10 0.47 -0.22 0.21 -1.91 0.00 0.00 174.94 173.59 2bnj s ASN 172 N 0.13 2.58 0.16 4.50 2.47 -0.57 -0.38 114.94 123.84 2bnj s ASN 172 Ca 0.09 -0.41 -0.24 0.00 0.42 0.00 0.00 52.86 52.73 2bnj s ASN 172 Cb -0.11 -0.39 0.06 0.00 -1.45 0.00 0.00 41.25 39.36 2bnj s ASN 172 CO -0.01 0.25 0.73 -0.62 -3.72 0.00 0.00 177.10 173.74 2bnj s ASP 173 N -0.41 -0.39 0.42 -4.21 -1.08 -0.58 -1.14 116.67 109.27 2bnj s ASP 173 Ca 0.06 -0.22 0.08 0.00 -0.52 0.00 0.00 52.55 51.94 2bnj s ASP 173 Cb -0.09 0.58 -0.02 0.00 -1.46 0.00 0.00 42.92 41.92 2bnj s ASP 173 CO 0.00 -1.00 0.35 -0.72 0.52 0.00 0.00 175.17 174.32 2bnj s TYR 174 N -3.62 2.63 -1.47 -5.34 1.13 -1.26 -0.58 117.35 108.85 2bnj s TYR 174 Ca 0.06 -0.52 -0.12 0.00 -1.41 0.00 0.00 57.07 55.08 2bnj s TYR 174 Cb -0.02 -2.13 0.06 0.00 -1.10 0.00 0.00 41.96 38.76 2bnj s TYR 174 CO -0.05 -0.10 1.04 0.09 -2.51 0.00 0.00 175.55 174.02 2bnj n ASN 175 N -1.52 -5.10 -2.00 -0.18 3.02 -1.26 -4.90 115.26 103.33 2bnj n ASN 175 Ca 0.03 -0.71 -0.24 0.00 -0.03 0.00 0.00 54.58 53.63 2bnj n ASN 175 Cb 0.62 -4.26 0.10 0.00 -0.61 0.00 0.00 39.78 35.63 2bnj n ASN 175 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2bnj n LEU 176 N -4.76 6.12 -0.28 3.41 4.77 -1.26 -4.38 117.00 120.61 2bnj n LEU 176 Ca 0.01 -4.22 0.08 0.00 -0.03 0.00 0.00 56.01 51.85 2bnj n LEU 176 Cb 0.54 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 2bnj n LEU 176 CO 0.72 1.55 0.18 0.47 -1.33 0.00 0.00 177.39 178.98 2bnj n ASP 177 N -0.94 1.42 -4.07 -1.43 8.00 -1.26 -4.71 116.55 113.57 2bnj n ASP 177 Ca 0.51 -1.21 -0.25 0.00 0.71 0.00 0.00 54.79 54.56 2bnj n ASP 177 Cb 0.95 0.62 -0.16 0.00 -0.02 0.00 0.00 41.12 42.51 2bnj n ASP 177 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2bnj s SER 178 N -2.14 1.87 0.54 -2.24 0.15 -1.26 -2.56 113.70 108.06 2bnj s SER 178 Ca 0.12 -0.31 0.33 0.00 0.70 0.00 0.00 55.95 56.79 2bnj s SER 178 Cb 0.13 -0.69 1.31 0.00 -1.71 0.00 0.00 66.02 65.07 2bnj s SER 178 CO 0.50 0.09 1.97 0.00 1.20 0.00 0.00 173.24 176.99 2bnj h ALA 179 N 6.61 1.00 -0.01 5.45 0.00 -1.85 -2.77 119.26 127.71 2bnj h ALA 179 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2bnj h ALA 179 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2bnj h ALA 179 CO 0.48 0.01 -0.42 -1.13 0.00 0.00 0.00 179.25 178.19 2bnj n SER 180 N -3.10 1.09 -4.73 0.00 3.41 -1.26 -4.71 113.62 104.31 2bnj n SER 180 Ca 0.01 -0.87 -0.41 0.00 -0.26 0.00 0.00 58.87 57.34 2bnj n SER 180 Cb 0.32 0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.52 2bnj n SER 180 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2bnj s TYR 181 N -2.65 3.78 0.35 7.33 5.04 -1.04 -4.95 117.35 125.20 2bnj s TYR 181 Ca 0.19 1.68 0.08 0.00 -2.44 0.00 0.00 57.07 56.58 2bnj s TYR 181 Cb 0.18 -2.97 0.79 0.00 0.35 0.00 0.00 41.96 40.31 2bnj s TYR 181 CO 0.60 0.22 1.86 -1.35 -1.34 0.00 0.00 175.55 175.55 2bnj h PRO 182 N 5.65 0.70 -0.79 4.97 0.11 -1.90 -2.19 132.00 138.55 2bnj h PRO 182 Ca -0.43 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2bnj h PRO 182 Cb 1.21 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 2bnj h PRO 182 CO 0.72 0.46 0.36 -0.22 -0.21 0.00 0.00 178.00 179.11 2bnj h LYS 183 N 0.72 1.15 -0.27 1.05 3.64 -1.83 -0.52 116.57 120.50 2bnj h LYS 183 Ca 0.46 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 2bnj h LYS 183 Cb 0.71 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2bnj h LYS 183 CO -0.22 0.90 0.06 1.15 -2.27 0.00 0.00 179.45 179.07 2bnj h THR 184 N 1.12 1.22 -0.62 1.00 2.02 -1.60 -1.81 112.91 114.24 2bnj h THR 184 Ca 0.27 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 2bnj h THR 184 Cb 0.14 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2bnj h THR 184 CO -0.03 0.24 0.10 1.56 0.37 0.00 0.00 175.52 177.76 2bnj h GLN 185 N 0.26 1.01 -0.10 6.66 4.20 -1.36 -3.00 115.11 122.77 2bnj h GLN 185 Ca 0.08 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 2bnj h GLN 185 Cb 0.31 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2bnj h GLN 185 CO 0.00 0.93 0.01 0.00 -0.67 0.00 0.00 178.83 179.10 2bnj h ALA 186 N 1.16 0.14 -0.53 3.87 0.00 -0.85 -1.58 119.26 121.46 2bnj h ALA 186 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2bnj h ALA 186 Cb 0.41 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2bnj h ALA 186 CO 0.01 -0.20 0.27 0.97 0.00 0.00 0.00 179.25 180.30 2bnj h ILE 187 N -0.06 1.17 0.11 0.00 2.10 -1.34 -0.15 117.51 119.34 2bnj h ILE 187 Ca 0.03 -0.46 -0.01 0.00 1.08 0.00 0.00 64.86 65.51 2bnj h ILE 187 Cb 0.30 0.47 0.00 0.00 -1.09 0.00 0.00 36.82 36.50 2bnj h ILE 187 CO 0.00 0.20 -0.05 0.58 -1.08 0.00 0.00 178.15 177.79 2bnj h VAL 188 N 0.74 0.94 -0.38 2.19 2.07 -1.36 -0.12 116.25 120.33 2bnj h VAL 188 Ca 0.19 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.59 2bnj h VAL 188 Cb 0.05 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2bnj h VAL 188 CO -0.03 0.04 0.05 -1.13 0.02 0.00 0.00 177.57 176.52 2bnj h ASN 189 N -0.23 -0.05 0.08 0.57 -1.24 -0.71 -1.13 115.58 112.86 2bnj h ASN 189 Ca -0.02 0.07 -0.20 0.00 0.71 0.00 0.00 56.30 56.87 2bnj h ASN 189 Cb 0.19 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.35 2bnj h ASN 189 CO 0.03 0.01 -0.75 0.03 -1.29 0.00 0.00 177.43 175.46 2bnj h ARG 190 N 0.16 0.58 -0.49 6.67 2.47 -0.94 -1.97 114.38 120.86 2bnj h ARG 190 Ca 0.18 -0.47 -0.06 0.00 -1.26 0.00 0.00 59.98 58.37 2bnj h ARG 190 Cb 0.23 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 2bnj h ARG 190 CO -0.26 1.09 0.09 0.28 0.56 0.00 0.00 179.97 181.73 2bnj h VAL 191 N 0.40 1.25 -0.42 2.04 2.07 -0.85 0.23 116.25 120.97 2bnj h VAL 191 Ca -0.04 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 66.63 2bnj h VAL 191 Cb 1.35 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 2bnj h VAL 191 CO 0.14 0.33 0.09 0.11 0.02 0.00 0.00 177.57 178.26 2bnj h LYS 192 N 0.69 0.22 -0.29 1.57 1.57 -1.08 -0.12 116.57 119.13 2bnj h LYS 192 Ca 0.15 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.79 2bnj h LYS 192 Cb 0.38 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2bnj h LYS 192 CO 0.01 0.14 -0.31 0.87 -0.57 0.00 0.00 179.45 179.59 2bnj h LYS 193 N 0.22 0.72 -0.40 3.15 1.57 -1.01 -1.72 116.57 119.10 2bnj h LYS 193 Ca 0.20 -0.39 0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2bnj h LYS 193 Cb 0.24 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2bnj h LYS 193 CO -0.26 1.01 0.23 -1.49 -0.57 0.00 0.00 179.45 178.36 2bnj h TRP 194 N 0.46 0.42 -0.81 -1.35 6.55 -0.36 -1.13 115.95 119.74 2bnj h TRP 194 Ca 0.04 0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.89 2bnj h TRP 194 Cb 0.88 -0.13 -0.04 0.00 -0.86 0.00 0.00 29.16 29.01 2bnj h TRP 194 CO 0.07 0.24 0.48 0.00 -1.05 0.00 0.00 178.44 178.19 2bnj h ARG 195 N 0.46 1.10 0.00 0.49 3.08 -0.91 -0.81 114.38 117.79 2bnj h ARG 195 Ca 0.16 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 2bnj h ARG 195 Cb 0.02 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2bnj h ARG 195 CO -0.08 0.78 -0.20 0.00 -1.07 0.00 0.00 179.97 179.39 2bnj h ALA 196 N 1.26 1.67 0.00 0.04 0.00 -0.92 -1.16 119.26 120.15 2bnj h ALA 196 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2bnj h ALA 196 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2bnj h ALA 196 CO -0.05 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.45 2bnj h ALA 197 N 1.80 1.00 0.00 0.00 0.00 -0.41 -3.47 119.26 118.18 2bnj h ALA 197 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bnj h ALA 197 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2bnj h ALA 197 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2bnj n GLY 198 N 0.48 1.05 3.68 0.00 0.00 -0.44 -5.08 105.19 104.88 2bnj n GLY 198 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2bnj n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bnj s VAL 199 N -2.00 3.87 -1.32 1.61 1.01 -0.38 -4.92 120.40 118.26 2bnj s VAL 199 Ca 0.00 1.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.99 2bnj s VAL 199 Cb 0.00 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.65 2bnj s VAL 199 CO 0.00 -0.04 2.00 -0.81 0.00 0.00 0.00 175.10 176.25 2bnj n PRO 200 N 5.96 2.78 -3.34 2.72 -0.04 -1.26 -4.16 135.00 137.66 2bnj n PRO 200 Ca 0.14 -2.78 -0.42 0.00 -0.04 0.00 0.00 63.50 60.40 2bnj n PRO 200 Cb 0.44 -3.36 -0.09 0.00 -0.04 0.00 0.00 33.50 30.45 2bnj n PRO 200 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2bnj s ILE 201 N 4.23 5.11 -0.17 0.52 1.01 -1.26 -4.71 121.20 125.93 2bnj s ILE 201 Ca 0.52 -0.26 0.20 0.00 0.00 0.00 0.00 60.65 61.11 2bnj s ILE 201 Cb 0.09 -3.98 -0.10 0.00 0.01 0.00 0.00 42.46 38.48 2bnj s ILE 201 CO 0.01 -0.34 0.85 0.47 0.00 0.00 0.00 174.94 175.93 2bnj n ASP 202 N 5.53 0.73 -3.80 3.58 8.00 0.66 -4.74 116.55 126.51 2bnj n ASP 202 Ca -0.08 0.30 -0.12 0.00 0.71 0.00 0.00 54.79 55.60 2bnj n ASP 202 Cb 0.48 0.53 -0.10 0.00 -0.02 0.00 0.00 41.12 42.01 2bnj n ASP 202 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2bnj s GLY 203 N -4.60 -0.11 -0.22 0.44 0.00 -0.49 -1.61 107.32 100.74 2bnj s GLY 203 Ca -0.03 0.33 -0.07 0.00 0.00 0.00 0.00 44.72 44.96 2bnj s GLY 203 CO 0.81 0.18 0.06 -0.42 0.00 0.00 0.00 173.10 173.73 2bnj s ILE 204 N -0.86 4.42 -0.25 0.90 1.01 -1.07 -1.85 121.20 123.50 2bnj s ILE 204 Ca -0.09 -0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 2bnj s ILE 204 Cb -0.05 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 2bnj s ILE 204 CO 0.02 0.39 0.16 -0.83 0.00 0.00 0.00 174.94 174.68 2bnj s GLY 205 N 1.09 1.97 -0.35 6.18 0.00 0.48 -2.01 107.32 114.67 2bnj s GLY 205 Ca 0.04 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 43.74 2bnj s GLY 205 CO 0.03 0.43 0.16 -0.45 0.00 0.00 0.00 173.10 173.28 2bnj s SER 206 N 1.17 5.56 0.18 1.64 0.15 -0.22 -1.53 113.70 120.65 2bnj s SER 206 Ca 0.07 -0.97 -0.13 0.00 0.70 0.00 0.00 55.95 55.62 2bnj s SER 206 Cb -0.14 -1.97 0.13 0.00 -1.71 0.00 0.00 66.02 62.33 2bnj s SER 206 CO 0.05 -0.34 1.78 1.56 1.20 0.00 0.00 173.24 177.50 2bnj h GLN 207 N 8.36 0.45 -4.55 5.44 4.20 -1.14 -0.97 115.11 126.89 2bnj h GLN 207 Ca -0.26 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 58.18 2bnj h GLN 207 Cb 1.10 -0.10 0.12 0.00 0.30 0.00 0.00 27.48 28.90 2bnj h GLN 207 CO 0.64 0.30 -0.53 2.41 -0.67 0.00 0.00 178.83 180.98 2bnj n THR 208 N -4.91 -3.83 -2.83 -0.54 -1.04 -1.26 -1.01 114.28 98.85 2bnj n THR 208 Ca 0.04 -0.29 -0.43 0.00 -2.04 0.00 0.00 64.05 61.34 2bnj n THR 208 Cb 0.14 -4.07 -0.04 0.00 -1.82 0.00 0.00 70.33 64.54 2bnj n THR 208 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2bnj s HIS 209 N -3.25 2.68 0.09 -1.42 3.76 -1.26 -2.52 115.29 113.37 2bnj s HIS 209 Ca 0.08 -0.61 0.04 0.00 -0.15 0.00 0.00 55.06 54.42 2bnj s HIS 209 Cb -0.04 -4.33 -0.04 0.00 1.11 0.00 0.00 32.58 29.28 2bnj s HIS 209 CO 0.52 -1.68 0.06 -0.51 -0.85 0.00 0.00 174.74 172.28 2bnj s LEU 210 N 4.08 3.69 0.51 0.89 1.43 -0.29 -4.86 118.68 124.12 2bnj s LEU 210 Ca 0.25 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2bnj s LEU 210 Cb -0.14 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.72 2bnj s LEU 210 CO 0.08 0.16 0.72 -0.94 0.23 0.00 0.00 176.35 176.60 2bnj s SER 211 N -2.43 5.44 0.29 2.29 1.04 -1.26 -1.27 113.70 117.80 2bnj s SER 211 Ca 0.28 -0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.38 2bnj s SER 211 Cb -0.12 -0.95 -0.11 0.00 0.10 0.00 0.00 66.02 64.93 2bnj s SER 211 CO 0.21 -1.00 1.61 0.00 0.98 0.00 0.00 173.24 175.04 2bnj s ALA 212 N -2.65 3.77 0.00 5.32 0.00 -1.25 -2.19 121.76 124.76 2bnj s ALA 212 Ca 0.55 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.09 2bnj s ALA 212 Cb -0.10 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2bnj s ALA 212 CO 0.37 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2bnj n GLY 213 N 2.32 1.25 0.00 0.00 0.00 -1.26 -4.92 105.19 102.58 2bnj n GLY 213 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2bnj n GLY 213 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bnj n GLN 214 N -2.00 0.09 -0.35 1.61 6.02 -0.93 -3.92 117.38 117.91 2bnj n GLN 214 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 2bnj n GLN 214 Cb 0.00 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 29.88 2bnj n GLN 214 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2bnj h GLY 215 N 4.96 1.36 0.48 1.08 0.00 -1.81 -3.14 103.07 105.99 2bnj h GLY 215 Ca 0.00 -0.54 0.10 0.00 0.00 0.00 0.00 47.33 46.88 2bnj h GLY 215 CO 0.00 0.53 0.41 0.00 0.00 0.00 0.00 176.54 177.48 2bnj h ALA 216 N 1.35 1.09 0.00 3.60 0.00 -1.87 -1.66 119.26 121.78 2bnj h ALA 216 Ca 0.34 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2bnj h ALA 216 Cb -0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2bnj h ALA 216 CO -0.07 0.01 -0.11 0.78 0.00 0.00 0.00 179.25 179.86 2bnj h GLY 217 N 0.69 0.00 2.00 0.00 0.00 -1.77 -2.40 103.07 101.58 2bnj h GLY 217 Ca 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 2bnj h GLY 217 CO -0.27 0.00 -0.03 -2.08 0.00 0.00 0.00 176.54 174.16 2bnj h VAL 218 N 0.00 0.73 -0.60 4.60 2.07 -1.02 -0.56 116.25 121.47 2bnj h VAL 218 Ca -0.00 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.48 2bnj h VAL 218 Cb 0.33 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2bnj h VAL 218 CO 0.01 0.03 0.40 -0.07 0.02 0.00 0.00 177.57 177.97 2bnj h LEU 219 N 0.00 0.40 0.01 2.57 3.38 -1.55 -1.40 115.31 118.73 2bnj h LEU 219 Ca -0.00 0.01 -0.35 0.00 0.09 0.00 0.00 57.88 57.63 2bnj h LEU 219 Cb 0.07 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2bnj h LEU 219 CO 0.00 0.25 -2.13 0.00 0.09 0.00 0.00 178.44 176.65 2bnj n GLN 220 N -4.47 0.67 -0.14 1.13 3.00 -0.72 -4.43 117.38 112.42 2bnj n GLN 220 Ca 0.10 0.14 -0.12 0.00 -0.01 0.00 0.00 57.00 57.11 2bnj n GLN 220 Cb 0.34 -1.63 -0.00 0.00 0.00 0.00 0.00 30.24 28.95 2bnj n GLN 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2bnj h ALA 221 N 0.78 0.65 -0.21 -1.58 0.00 -0.82 -2.89 119.26 115.18 2bnj h ALA 221 Ca -0.45 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.00 2bnj h ALA 221 Cb 2.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2bnj h ALA 221 CO 0.04 0.68 -0.01 1.25 0.00 0.00 0.00 179.25 181.21 2bnj h LEU 222 N 0.81 0.38 -1.27 0.00 5.85 -1.50 0.52 115.31 120.09 2bnj h LEU 222 Ca 0.09 -0.32 0.10 0.00 0.84 0.00 0.00 57.88 58.59 2bnj h LEU 222 Cb 0.88 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 2bnj h LEU 222 CO 0.08 0.60 0.55 -0.65 -0.34 0.00 0.00 178.44 178.69 2bnj h PRO 223 N 0.14 0.78 -0.19 5.25 0.11 -1.77 -0.01 132.00 136.30 2bnj h PRO 223 Ca 0.06 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2bnj h PRO 223 Cb 0.42 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 2bnj h PRO 223 CO 0.01 0.51 0.10 1.25 -0.21 0.00 0.00 178.00 179.66 2bnj h LEU 224 N 0.80 0.24 -0.81 2.35 5.85 -1.15 -1.21 115.31 121.38 2bnj h LEU 224 Ca 0.40 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.09 2bnj h LEU 224 Cb 0.46 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 2bnj h LEU 224 CO -0.17 0.27 0.47 -0.07 -0.34 0.00 0.00 178.44 178.61 2bnj h LEU 225 N 0.19 0.70 -1.73 2.25 3.38 -0.25 -1.91 115.31 117.95 2bnj h LEU 225 Ca 0.07 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2bnj h LEU 225 Cb 0.09 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2bnj h LEU 225 CO -0.01 0.42 -0.14 0.00 0.09 0.00 0.00 178.44 178.80 2bnj h ALA 226 N 1.42 1.20 0.00 1.53 0.00 -0.52 -2.26 119.26 120.62 2bnj h ALA 226 Ca 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2bnj h ALA 226 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bnj h ALA 226 CO -0.22 0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.08 2bnj n SER 227 N -3.54 0.28 0.24 0.00 3.41 -0.50 -1.82 113.62 111.69 2bnj n SER 227 Ca -0.01 0.60 0.17 0.00 -0.26 0.00 0.00 58.87 59.36 2bnj n SER 227 Cb 0.28 -0.65 0.76 0.00 -0.26 0.00 0.00 64.21 64.35 2bnj n SER 227 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bnj h ALA 228 N 2.20 1.00 0.00 7.33 0.00 -1.51 -3.47 119.26 124.81 2bnj h ALA 228 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bnj h ALA 228 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2bnj h ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2bnj n GLY 229 N -0.45 0.54 3.76 0.00 0.00 -0.76 -4.38 105.19 103.91 2bnj n GLY 229 Ca -0.00 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 2bnj n GLY 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bnj s THR 230 N -2.00 2.84 0.39 2.61 -4.23 -1.26 -4.92 115.64 109.07 2bnj s THR 230 Ca 0.00 0.57 0.16 0.00 -1.18 0.00 0.00 61.69 61.24 2bnj s THR 230 Cb 0.00 -3.26 0.37 0.00 1.34 0.00 0.00 72.50 70.95 2bnj s THR 230 CO 0.00 -0.06 1.81 -0.65 -0.54 0.00 0.00 174.62 175.18 2bnj h PRO 231 N 1.43 0.46 -5.00 3.99 0.11 -1.79 -3.43 132.00 127.76 2bnj h PRO 231 Ca -0.50 -0.03 -0.35 0.00 0.11 0.00 0.00 66.00 65.24 2bnj h PRO 231 Cb 1.27 -0.10 -0.21 0.00 0.11 0.00 0.00 31.00 32.07 2bnj h PRO 231 CO 0.57 0.31 -0.75 -1.21 -0.21 0.00 0.00 178.00 176.71 2bnj s GLU 232 N -5.53 0.72 0.21 1.05 2.02 -0.63 -4.78 118.70 111.77 2bnj s GLU 232 Ca -0.09 -0.92 0.06 0.00 0.02 0.00 0.00 54.97 54.03 2bnj s GLU 232 Cb 0.24 -0.58 -0.05 0.00 0.10 0.00 0.00 34.13 33.83 2bnj s GLU 232 CO 0.79 0.12 -0.08 0.14 0.02 0.00 0.00 175.26 176.25 2bnj s VAL 233 N -1.52 1.40 0.01 2.63 -7.23 -0.01 -2.58 120.40 113.08 2bnj s VAL 233 Ca -0.03 -2.11 -0.19 0.00 -1.81 0.00 0.00 61.98 57.83 2bnj s VAL 233 Cb -0.09 -2.17 0.04 0.00 0.56 0.00 0.00 36.38 34.72 2bnj s VAL 233 CO 0.01 -0.49 0.43 0.00 -0.31 0.00 0.00 175.10 174.73 2bnj s ALA 234 N -3.18 -1.07 -0.39 1.32 0.00 -0.85 -1.81 121.76 115.77 2bnj s ALA 234 Ca 0.24 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.49 2bnj s ALA 234 Cb 0.03 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.34 2bnj s ALA 234 CO 0.07 -0.37 0.73 0.42 0.00 0.00 0.00 175.76 176.61 2bnj s ILE 235 N -1.82 4.76 -0.10 0.00 -1.09 -1.01 -1.06 121.20 120.88 2bnj s ILE 235 Ca -0.09 0.64 0.17 0.00 -2.23 0.00 0.00 60.65 59.13 2bnj s ILE 235 Cb -0.02 -4.20 -0.25 0.00 -1.58 0.00 0.00 42.46 36.41 2bnj s ILE 235 CO 0.02 -0.48 0.23 0.35 -1.23 0.00 0.00 174.94 173.83 2bnj n THR 236 N 5.82 0.63 -2.75 2.92 -2.24 -0.37 -0.87 114.28 117.42 2bnj n THR 236 Ca 0.01 -0.60 -0.03 0.00 -2.27 0.00 0.00 64.05 61.16 2bnj n THR 236 Cb 0.48 -0.25 0.06 0.00 -2.10 0.00 0.00 70.33 68.53 2bnj n THR 236 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bnj n GLU 237 N -2.41 1.47 -1.69 -0.78 1.02 -0.18 -4.47 120.64 113.58 2bnj n GLU 237 Ca -0.17 -2.92 -0.42 0.00 -0.02 0.00 0.00 57.16 53.63 2bnj n GLU 237 Cb 0.80 -1.04 -0.03 0.00 -0.02 0.00 0.00 31.44 31.14 2bnj n GLU 237 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2bnj n LEU 238 N -0.61 4.00 -3.63 -4.62 7.94 -0.18 -4.25 117.00 115.64 2bnj n LEU 238 Ca 0.03 1.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.82 2bnj n LEU 238 Cb 0.82 -1.55 -0.05 0.00 0.53 0.00 0.00 43.42 43.18 2bnj n LEU 238 CO 0.07 0.16 0.17 1.51 -1.11 0.00 0.00 177.39 178.19 2bnj s ASP 239 N 2.41 -0.26 -0.13 1.96 1.47 -1.05 -0.94 116.67 120.13 2bnj s ASP 239 Ca 0.81 -0.22 -0.04 0.00 1.18 0.00 0.00 52.55 54.27 2bnj s ASP 239 Cb -0.49 0.47 0.06 0.00 -0.34 0.00 0.00 42.92 42.61 2bnj s ASP 239 CO 0.37 -0.81 0.19 -0.69 0.68 0.00 0.00 175.17 174.91 2bnj s VAL 240 N -3.46 -0.30 0.02 2.11 1.01 -0.73 -1.14 120.40 117.91 2bnj s VAL 240 Ca 0.01 0.21 -0.36 0.00 0.00 0.00 0.00 61.98 61.84 2bnj s VAL 240 Cb 0.01 -0.43 -0.15 0.00 0.00 0.00 0.00 36.38 35.82 2bnj s VAL 240 CO -0.10 0.04 1.57 0.00 0.00 0.00 0.00 175.10 176.62 2bnj n ALA 241 N 5.33 0.23 0.00 5.51 0.00 -0.39 -0.12 120.51 131.06 2bnj n ALA 241 Ca -0.05 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2bnj n ALA 241 Cb 0.50 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2bnj n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bnj n GLY 242 N 3.40 2.94 3.98 0.00 0.00 -0.27 -3.74 105.19 111.50 2bnj n GLY 242 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2bnj n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bnj n ALA 243 N -0.53 -1.55 -1.82 4.61 0.00 0.83 -4.90 120.51 117.14 2bnj n ALA 243 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 2bnj n ALA 243 Cb 0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 19.45 16.27 2bnj n ALA 243 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bnj s SER 244 N -3.70 6.50 0.37 0.00 0.15 -1.26 -4.40 113.70 111.36 2bnj s SER 244 Ca 0.44 2.80 0.15 0.00 0.70 0.00 0.00 55.95 60.04 2bnj s SER 244 Cb -0.23 -2.62 1.02 0.00 -1.71 0.00 0.00 66.02 62.48 2bnj s SER 244 CO 0.87 -0.83 1.75 -0.65 1.20 0.00 0.00 173.24 175.58 2bnj h PRO 245 N 5.31 0.45 -0.31 5.44 0.11 -1.90 -2.26 132.00 138.84 2bnj h PRO 245 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2bnj h PRO 245 Cb 1.22 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2bnj h PRO 245 CO 0.82 0.30 0.18 1.15 -0.21 0.00 0.00 178.00 180.24 2bnj h THR 246 N 0.47 1.12 -0.31 -1.15 2.02 -1.98 0.64 112.91 113.72 2bnj h THR 246 Ca 0.62 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 67.47 2bnj h THR 246 Cb 1.41 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 2bnj h THR 246 CO -0.37 0.12 0.06 0.44 0.37 0.00 0.00 175.52 176.14 2bnj h ASP 247 N 0.40 0.48 -0.38 4.18 3.32 -1.82 -2.28 116.42 120.32 2bnj h ASP 247 Ca 0.11 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 2bnj h ASP 247 Cb 0.03 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2bnj h ASP 247 CO -0.02 0.61 0.07 1.88 -1.72 0.00 0.00 179.24 180.06 2bnj h TYR 248 N 0.33 0.66 -0.58 4.55 0.05 -1.23 -2.31 116.97 118.44 2bnj h TYR 248 Ca 0.09 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 2bnj h TYR 248 Cb 0.33 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 2bnj h TYR 248 CO 0.02 0.65 0.15 0.28 -1.05 0.00 0.00 178.16 178.21 2bnj h VAL 249 N 0.47 1.23 -0.52 -2.88 2.07 -0.88 -1.37 116.25 114.37 2bnj h VAL 249 Ca 0.12 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2bnj h VAL 249 Cb 0.34 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2bnj h VAL 249 CO 0.00 0.31 0.30 0.78 0.02 0.00 0.00 177.57 178.99 2bnj h ASN 250 N 0.85 0.64 -0.49 0.57 2.35 -1.21 0.14 115.58 118.43 2bnj h ASN 250 Ca 0.19 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 2bnj h ASN 250 Cb 0.30 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2bnj h ASN 250 CO -0.00 0.53 -0.04 0.58 -1.65 0.00 0.00 177.43 176.85 2bnj h VAL 251 N 0.69 1.27 -0.28 2.81 2.07 -0.99 -0.69 116.25 121.13 2bnj h VAL 251 Ca 0.18 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2bnj h VAL 251 Cb 0.02 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2bnj h VAL 251 CO -0.03 0.40 0.19 0.58 0.02 0.00 0.00 177.57 178.72 2bnj h VAL 252 N 0.75 1.08 -0.54 2.57 2.07 -0.99 -2.41 116.25 118.77 2bnj h VAL 252 Ca 0.13 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2bnj h VAL 252 Cb 0.56 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2bnj h VAL 252 CO 0.03 0.07 0.33 0.78 0.02 0.00 0.00 177.57 178.81 2bnj h ASN 253 N 0.38 0.64 -0.46 0.57 2.35 -0.46 -0.39 115.58 118.20 2bnj h ASN 253 Ca 0.10 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2bnj h ASN 253 Cb -0.04 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 2bnj h ASN 253 CO -0.02 0.49 0.27 0.00 -1.65 0.00 0.00 177.43 176.52 2bnj h ALA 254 N 1.62 0.59 -0.37 -0.83 0.00 -0.68 0.09 119.26 119.69 2bnj h ALA 254 Ca 0.20 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2bnj h ALA 254 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2bnj h ALA 254 CO -0.04 0.10 0.01 0.00 0.00 0.00 0.00 179.25 179.32 2bnj h LEU 256 N 0.47 0.65 -0.25 0.00 3.38 -0.64 -2.05 115.31 116.86 2bnj h LEU 256 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2bnj h LEU 256 Cb 0.45 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2bnj h LEU 256 CO 0.02 0.43 0.00 0.78 0.09 0.00 0.00 178.44 179.75 2bnj h ASN 257 N 0.74 0.00 -3.62 -0.43 2.35 -0.53 -3.42 115.58 110.67 2bnj h ASN 257 Ca 0.30 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.37 2bnj h ASN 257 Cb 0.24 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 38.33 2bnj h ASN 257 CO -0.10 0.00 -0.64 -0.69 -1.65 0.00 0.00 177.43 174.36 2bnj s VAL 258 N -3.20 3.71 0.32 2.81 1.01 -0.77 -4.99 120.40 119.30 2bnj s VAL 258 Ca 0.08 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 2bnj s VAL 258 Cb 0.11 -2.99 0.26 0.00 0.00 0.00 0.00 36.38 33.76 2bnj s VAL 258 CO 0.55 -0.00 1.98 -1.28 0.00 0.00 0.00 175.10 176.35 2bnj h SER 259 N 8.19 0.86 0.33 3.32 0.87 -1.83 -1.04 113.55 124.26 2bnj h SER 259 Ca -0.28 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2bnj h SER 259 Cb 1.11 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2bnj h SER 259 CO 0.60 0.62 -0.01 -1.54 -0.53 0.00 0.00 176.83 175.96 2bnj n SER 260 N -4.43 0.10 -4.60 6.23 3.41 -1.26 -4.72 113.62 108.35 2bnj n SER 260 Ca 0.09 -0.53 -0.43 0.00 -0.26 0.00 0.00 58.87 57.74 2bnj n SER 260 Cb 0.05 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 63.82 2bnj n SER 260 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bnj h VAL 262 N 6.28 0.00 0.00 0.00 -1.51 -1.64 -3.46 116.25 115.92 2bnj h VAL 262 Ca -0.25 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 2bnj h VAL 262 Cb 1.08 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 32.09 2bnj h VAL 262 CO 1.10 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.05 2bnj n GLY 263 N 1.12 -1.71 2.94 5.19 0.00 -1.26 -0.31 105.19 111.15 2bnj n GLY 263 Ca 0.03 -1.14 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 2bnj n GLY 263 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bnj s ILE 264 N -2.63 0.44 -0.10 -0.61 1.01 -1.09 -2.41 121.20 115.80 2bnj s ILE 264 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.50 2bnj s ILE 264 Cb 0.00 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 42.07 2bnj s ILE 264 CO 0.00 0.15 -0.21 -0.89 0.00 0.00 0.00 174.94 173.98 2bnj s THR 265 N 0.20 1.90 -0.01 2.92 2.01 -0.05 -0.21 115.64 122.41 2bnj s THR 265 Ca -0.02 -0.92 -0.09 0.00 0.31 0.00 0.00 61.69 60.97 2bnj s THR 265 Cb -0.06 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 2bnj s THR 265 CO -0.00 0.52 0.30 -0.69 -0.69 0.00 0.00 174.62 174.06 2bnj s VAL 266 N 0.53 5.24 -1.34 3.82 1.01 -0.30 -1.02 120.40 128.35 2bnj s VAL 266 Ca -0.15 0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 2bnj s VAL 266 Cb -0.17 -3.58 0.11 0.00 0.00 0.00 0.00 36.38 32.74 2bnj s VAL 266 CO 0.05 0.45 2.31 1.87 0.00 0.00 0.00 175.10 179.78 2bnj n TRP 267 N 1.40 2.67 0.00 5.22 -0.00 -0.12 -1.30 117.44 125.31 2bnj n TRP 267 Ca -0.13 -2.84 0.00 0.00 -0.00 0.00 0.00 57.50 54.53 2bnj n TRP 267 Cb 0.53 -1.92 0.00 0.00 -0.00 0.00 0.00 31.31 29.92 2bnj n TRP 267 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2bnj n GLY 268 N 2.13 2.38 0.04 5.87 0.00 -1.25 -4.72 105.19 109.65 2bnj n GLY 268 Ca 0.58 -2.04 -0.03 0.00 0.00 0.00 0.00 46.02 44.54 2bnj n GLY 268 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2bnj n VAL 269 N -1.37 0.47 -4.31 1.61 0.31 -1.26 -4.69 118.33 109.10 2bnj n VAL 269 Ca 0.00 0.38 -0.35 0.00 -0.01 0.00 0.00 64.34 64.36 2bnj n VAL 269 Cb 0.00 -1.76 -0.09 0.00 -0.91 0.00 0.00 33.84 31.08 2bnj n VAL 269 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bnj s ALA 270 N -2.96 3.36 0.24 3.52 0.00 -1.26 -2.79 121.76 121.87 2bnj s ALA 270 Ca -0.09 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 2bnj s ALA 270 Cb 0.01 -1.54 0.30 0.00 0.00 0.00 0.00 23.12 21.89 2bnj s ALA 270 CO 0.13 0.59 1.50 -0.25 0.00 0.00 0.00 175.76 177.74 2bnj n ASP 271 N 2.12 -0.54 0.33 0.00 8.00 -0.13 -0.63 116.55 125.70 2bnj n ASP 271 Ca -0.19 1.68 0.22 0.00 0.71 0.00 0.00 54.79 57.21 2bnj n ASP 271 Cb 0.54 -0.42 1.15 0.00 -0.02 0.00 0.00 41.12 42.37 2bnj n ASP 271 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2bnj h PRO 272 N 0.00 0.00 -0.13 -0.24 0.13 -1.87 -1.81 132.00 128.08 2bnj h PRO 272 Ca 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.51 2bnj h PRO 272 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2bnj h PRO 272 CO -0.97 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 176.55 2bnj n ASP 273 N -3.12 2.58 -4.77 1.44 8.00 0.20 -4.80 116.55 116.09 2bnj n ASP 273 Ca -0.03 -1.85 -0.37 0.00 0.71 0.00 0.00 54.79 53.26 2bnj n ASP 273 Cb 0.10 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 2bnj n ASP 273 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2bnj s SER 274 N -1.82 6.14 0.54 -2.24 0.15 -0.68 -4.91 113.70 110.88 2bnj s SER 274 Ca 0.33 2.26 0.36 0.00 0.70 0.00 0.00 55.95 59.60 2bnj s SER 274 Cb 0.21 -2.60 1.97 0.00 -1.71 0.00 0.00 66.02 63.88 2bnj s SER 274 CO 0.31 -0.94 2.11 4.11 1.20 0.00 0.00 173.24 180.03 2bnj h TRP 275 N 1.92 0.00 -0.91 3.44 5.08 -1.90 -2.13 115.95 121.45 2bnj h TRP 275 Ca -0.49 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 58.95 2bnj h TRP 275 Cb 1.25 0.00 -0.42 0.00 -3.00 0.00 0.00 29.16 26.98 2bnj h TRP 275 CO 0.53 0.00 -0.84 0.54 -1.28 0.00 0.00 178.44 177.40 2bnj n ARG 276 N -2.77 3.34 -0.31 0.12 1.74 -1.26 -4.94 116.66 112.57 2bnj n ARG 276 Ca -0.02 -4.16 0.13 0.00 -0.77 0.00 0.00 57.85 53.02 2bnj n ARG 276 Cb 0.06 -2.18 0.31 0.00 -1.02 0.00 0.00 32.46 29.63 2bnj n ARG 276 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bnj h ALA 277 N 2.34 1.48 0.00 7.54 0.00 -1.57 -0.56 119.26 128.48 2bnj h ALA 277 Ca 0.29 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 2bnj h ALA 277 Cb 1.36 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2bnj h ALA 277 CO 0.72 -0.28 -0.01 0.66 0.00 0.00 0.00 179.25 180.34 2bnj h SER 278 N 0.48 0.00 -0.17 0.00 4.64 -1.88 0.31 113.55 116.92 2bnj h SER 278 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 2bnj h SER 278 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2bnj h SER 278 CO -0.49 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 175.83 2bnj n THR 279 N -3.19 0.22 -3.96 2.95 -2.24 -0.22 -4.98 114.28 102.86 2bnj n THR 279 Ca -0.02 -0.35 -0.36 0.00 -2.27 0.00 0.00 64.05 61.05 2bnj n THR 279 Cb 0.12 0.34 0.01 0.00 -2.10 0.00 0.00 70.33 68.70 2bnj n THR 279 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2bnj n THR 280 N 0.30 -2.18 0.05 4.28 -2.24 0.10 -1.12 114.28 113.47 2bnj n THR 280 Ca 0.16 -0.41 0.11 0.00 -2.27 0.00 0.00 64.05 61.63 2bnj n THR 280 Cb 0.32 -1.86 0.28 0.00 -2.10 0.00 0.00 70.33 66.96 2bnj n THR 280 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2bnj n PRO 281 N -4.03 2.49 -3.31 -0.78 -0.04 -1.26 -3.81 135.00 124.25 2bnj n PRO 281 Ca -0.11 -2.30 -0.20 0.00 -0.04 0.00 0.00 63.50 60.85 2bnj n PRO 281 Cb 0.47 -1.51 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2bnj n PRO 281 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2bnj n LEU 282 N 1.39 0.00 0.01 1.53 4.77 -1.26 -1.78 117.00 121.66 2bnj n LEU 282 Ca 0.21 -2.19 0.11 0.00 -0.03 0.00 0.00 56.01 54.11 2bnj n LEU 282 Cb 0.56 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 2bnj n LEU 282 CO 0.15 -0.50 0.07 0.18 -1.33 0.00 0.00 177.39 175.96 2bnj n LEU 283 N 0.00 0.71 -4.35 2.23 4.77 -1.25 -4.86 117.00 114.25 2bnj n LEU 283 Ca -0.02 -0.21 -0.28 0.00 -0.03 0.00 0.00 56.01 55.47 2bnj n LEU 283 Cb 0.48 -0.10 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 2bnj n LEU 283 CO 0.28 0.15 -0.56 -0.36 -1.33 0.00 0.00 177.39 175.57 2bnj s PHE 284 N -3.08 2.17 0.52 -1.77 0.40 -1.12 -0.95 117.98 114.15 2bnj s PHE 284 Ca 0.07 -0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 55.99 2bnj s PHE 284 Cb 0.16 -1.23 0.11 0.00 0.51 0.00 0.00 43.02 42.57 2bnj s PHE 284 CO 0.81 0.23 0.72 -0.40 0.70 0.00 0.00 175.22 177.27 2bnj n ASP 285 N 1.27 0.80 0.12 1.36 5.68 -0.31 -0.96 116.55 124.51 2bnj n ASP 285 Ca -0.18 -1.72 0.11 0.00 -0.50 0.00 0.00 54.79 52.51 2bnj n ASP 285 Cb 0.53 -0.48 0.48 0.00 -1.14 0.00 0.00 41.12 40.51 2bnj n ASP 285 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bnj n GLY 286 N -0.34 -1.16 0.37 6.12 0.00 -1.26 -0.81 105.19 108.11 2bnj n GLY 286 Ca 0.11 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.33 2bnj n GLY 286 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bnj n ASN 287 N -2.15 1.13 -1.89 1.61 3.02 -1.26 -4.93 115.26 110.79 2bnj n ASN 287 Ca 0.02 -1.57 -0.17 0.00 -0.03 0.00 0.00 54.58 52.83 2bnj n ASN 287 Cb 0.19 -0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.29 2bnj n ASN 287 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2bnj n PHE 288 N -0.05 -0.78 -4.05 3.10 3.72 0.01 -5.02 117.46 114.39 2bnj n PHE 288 Ca 0.16 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.25 2bnj n PHE 288 Cb 0.25 -3.36 -0.06 0.00 -0.94 0.00 0.00 39.48 35.36 2bnj n PHE 288 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2bnj s ASN 289 N -2.26 5.73 0.37 4.37 0.01 -1.26 -4.85 114.94 117.05 2bnj s ASN 289 Ca 0.00 0.11 -0.27 0.00 -0.71 0.00 0.00 52.86 51.99 2bnj s ASN 289 Cb 0.00 -1.63 -0.10 0.00 0.41 0.00 0.00 41.25 39.94 2bnj s ASN 289 CO 0.00 0.22 1.32 -2.16 -1.51 0.00 0.00 177.10 174.97 2bnj s PRO 290 N -2.08 4.14 0.53 -0.60 0.04 -1.26 -1.17 135.00 134.60 2bnj s PRO 290 Ca 0.27 2.21 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 2bnj s PRO 290 Cb -0.12 -2.90 0.02 0.00 0.04 0.00 0.00 34.50 31.54 2bnj s PRO 290 CO 0.19 -0.37 0.77 0.15 0.04 0.00 0.00 177.00 177.77 2bnj s LYS 291 N -2.05 2.70 0.31 4.56 1.02 -0.13 -4.85 119.74 121.30 2bnj s LYS 291 Ca 0.53 -0.60 0.07 0.00 0.02 0.00 0.00 55.97 55.99 2bnj s LYS 291 Cb -0.39 -2.47 0.81 0.00 -0.52 0.00 0.00 37.83 35.25 2bnj s LYS 291 CO 0.52 -0.61 1.72 -1.35 -0.92 0.00 0.00 175.35 174.70 2bnj h PRO 292 N 0.11 0.49 -0.61 -1.68 0.11 -1.92 -0.02 132.00 128.47 2bnj h PRO 292 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2bnj h PRO 292 Cb 1.28 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2bnj h PRO 292 CO 0.55 0.33 0.33 0.00 -0.21 0.00 0.00 178.00 178.99 2bnj h ALA 293 N 1.72 1.43 0.11 -0.75 0.00 -1.90 0.06 119.26 119.93 2bnj h ALA 293 Ca 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 2bnj h ALA 293 Cb 1.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2bnj h ALA 293 CO -0.49 0.47 -0.05 -0.92 0.00 0.00 0.00 179.25 178.25 2bnj h TYR 294 N 0.85 -0.14 -0.77 0.00 5.03 -1.22 -1.15 116.97 119.57 2bnj h TYR 294 Ca 0.22 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.55 2bnj h TYR 294 Cb 0.03 0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.32 2bnj h TYR 294 CO 0.01 -0.02 0.51 -0.91 -1.32 0.00 0.00 178.16 176.43 2bnj h ASN 295 N -0.23 0.83 -0.37 -2.11 2.35 -1.10 -1.34 115.58 113.61 2bnj h ASN 295 Ca -0.02 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.61 2bnj h ASN 295 Cb 0.19 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2bnj h ASN 295 CO 0.03 0.58 -0.18 0.00 -1.65 0.00 0.00 177.43 176.20 2bnj h ALA 296 N 1.54 0.86 -0.05 -0.83 0.00 -0.76 -0.50 119.26 119.53 2bnj h ALA 296 Ca 0.30 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2bnj h ALA 296 Cb 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2bnj h ALA 296 CO -0.08 0.64 0.01 0.82 0.00 0.00 0.00 179.25 180.63 2bnj h ILE 297 N 0.74 1.21 -0.51 0.00 2.04 -0.65 -0.98 117.51 119.37 2bnj h ILE 297 Ca 0.11 -0.65 0.10 0.00 1.00 0.00 0.00 64.86 65.42 2bnj h ILE 297 Cb 0.70 1.55 -0.10 0.00 -0.74 0.00 0.00 36.82 38.23 2bnj h ILE 297 CO 0.05 0.18 -0.28 0.58 0.00 0.00 0.00 178.15 178.68 2bnj h VAL 298 N -0.16 0.25 -0.56 1.67 2.07 -1.12 -0.20 116.25 118.20 2bnj h VAL 298 Ca 0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 2bnj h VAL 298 Cb 0.28 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2bnj h VAL 298 CO 0.00 0.00 0.09 -0.61 0.02 0.00 0.00 177.57 177.08 2bnj h GLN 299 N -0.16 0.89 -0.60 1.57 -0.00 -0.94 -0.78 115.11 115.10 2bnj h GLN 299 Ca 0.22 -0.21 -0.08 0.00 -0.00 0.00 0.00 58.65 58.58 2bnj h GLN 299 Cb 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.86 2bnj h GLN 299 CO -0.60 0.83 0.05 -0.97 0.00 0.00 0.00 178.83 178.13 2bnj h ASN 300 N 0.85 0.99 0.33 -0.69 -1.24 -0.53 -3.07 115.58 112.23 2bnj h ASN 300 Ca 0.18 -0.29 -0.15 0.00 0.71 0.00 0.00 56.30 56.75 2bnj h ASN 300 Cb 0.37 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 2bnj h ASN 300 CO 0.01 1.03 -0.60 -0.07 -1.29 0.00 0.00 177.43 176.50 2bnj h LEU 301 N 0.92 0.30 0.00 0.34 3.38 -0.58 -3.51 115.31 116.16 2bnj h LEU 301 Ca 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bnj h LEU 301 Cb 0.50 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2bnj h LEU 301 CO 0.02 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.39