#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5h s LEU 6 N 0.00 4.18 0.24 4.31 1.43 -1.26 -5.07 118.68 122.52 2b5h s LEU 6 Ca 0.00 0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 2b5h s LEU 6 Cb 0.00 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 2b5h s LEU 6 CO 0.00 -0.29 0.07 -0.76 0.23 0.00 0.00 176.35 175.60 2b5h s LEU 7 N 2.16 3.45 0.08 1.79 1.43 -1.26 -5.08 118.68 121.26 2b5h s LEU 7 Ca 0.16 -0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 52.50 2b5h s LEU 7 Cb -0.16 -2.00 -0.08 0.00 0.03 0.00 0.00 46.19 43.99 2b5h s LEU 7 CO 0.11 0.00 1.47 -0.75 0.23 0.00 0.00 176.35 177.41 2b5h s LYS 8 N -3.60 4.27 0.20 1.70 2.20 -1.26 -4.96 119.74 118.29 2b5h s LYS 8 Ca 0.31 2.13 -0.30 0.00 -0.36 0.00 0.00 55.97 57.75 2b5h s LYS 8 Cb -0.07 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.74 2b5h s LYS 8 CO 0.22 -0.56 1.35 -2.14 -0.36 0.00 0.00 175.35 173.85 2b5h s PRO 9 N 1.83 4.36 0.15 4.03 0.02 -1.26 -4.90 135.00 139.23 2b5h s PRO 9 Ca 0.67 2.11 0.17 0.00 0.02 0.00 0.00 61.00 63.97 2b5h s PRO 9 Cb -0.37 -3.18 -0.05 0.00 0.02 0.00 0.00 34.50 30.92 2b5h s PRO 9 CO 0.30 -0.31 1.07 0.00 -0.33 0.00 0.00 177.00 177.73 2b5h h ARG 10 N 5.45 0.00 -3.43 5.54 3.08 -1.93 -3.42 114.38 119.68 2b5h h ARG 10 Ca -0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 2b5h h ARG 10 Cb 1.21 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.18 2b5h h ARG 10 CO 0.78 0.32 -0.00 0.95 -1.07 0.00 0.00 179.97 180.95 2b5h s THR 11 N -2.99 0.00 0.24 2.04 -4.23 -1.26 -4.97 115.64 104.48 2b5h s THR 11 Ca -0.00 -1.22 -0.06 0.00 -1.18 0.00 0.00 61.69 59.23 2b5h s THR 11 Cb 0.08 -2.07 0.23 0.00 1.34 0.00 0.00 72.50 72.08 2b5h s THR 11 CO 0.78 -0.02 1.90 0.25 -0.54 0.00 0.00 174.62 176.99 2b5h h LEU 12 N 2.18 1.01 -0.98 4.79 5.85 -1.92 -0.15 115.31 126.09 2b5h h LEU 12 Ca -0.24 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 2b5h h LEU 12 Cb 1.25 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2b5h h LEU 12 CO 0.32 0.70 0.29 0.00 -0.34 0.00 0.00 178.44 179.42 2b5h h ALA 13 N 1.37 1.19 -0.50 1.25 0.00 -1.96 -0.66 119.26 119.95 2b5h h ALA 13 Ca 0.36 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2b5h h ALA 13 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2b5h h ALA 13 CO -0.11 0.59 0.06 0.22 0.00 0.00 0.00 179.25 180.02 2b5h h ASP 14 N 1.01 0.81 -0.63 0.00 3.58 -1.77 -1.32 116.42 118.10 2b5h h ASP 14 Ca 0.24 -0.27 0.04 0.00 0.42 0.00 0.00 57.03 57.46 2b5h h ASP 14 Cb 0.17 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 2b5h h ASP 14 CO -0.02 0.88 0.37 0.25 -2.88 0.00 0.00 179.24 177.84 2b5h h LEU 15 N 0.71 0.58 -0.39 2.28 5.85 -0.40 -0.19 115.31 123.74 2b5h h LEU 15 Ca 0.15 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2b5h h LEU 15 Cb 0.43 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2b5h h LEU 15 CO 0.01 0.39 0.22 0.40 -0.34 0.00 0.00 178.44 179.13 2b5h h ILE 16 N 0.71 1.14 -0.84 4.05 2.04 -0.74 0.47 117.51 124.34 2b5h h ILE 16 Ca 0.27 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2b5h h ILE 16 Cb 0.09 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2b5h h ILE 16 CO -0.14 0.15 0.56 -0.09 0.00 0.00 0.00 178.15 178.63 2b5h h ARG 17 N 0.51 1.11 -0.67 2.37 1.12 -0.70 -1.20 114.38 116.92 2b5h h ARG 17 Ca 0.14 -0.07 -0.08 0.00 -1.11 0.00 0.00 59.98 58.86 2b5h h ARG 17 Cb 0.04 -0.25 -0.03 0.00 -0.01 0.00 0.00 29.97 29.73 2b5h h ARG 17 CO -0.02 0.73 0.10 0.82 -3.11 0.00 0.00 179.97 178.49 2b5h h ILE 18 N 1.14 1.26 -0.46 1.20 2.04 -0.51 -2.49 117.51 119.70 2b5h h ILE 18 Ca 0.31 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 2b5h h ILE 18 Cb -0.13 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2b5h h ILE 18 CO -0.07 0.39 0.07 -0.07 0.00 0.00 0.00 178.15 178.48 2b5h h LEU 19 N 1.04 0.66 -1.55 1.44 3.38 -0.45 -0.64 115.31 119.19 2b5h h LEU 19 Ca 0.20 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2b5h h LEU 19 Cb 0.45 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2b5h h LEU 19 CO 0.01 0.68 -0.10 0.45 0.09 0.00 0.00 178.44 179.58 2b5h h HIS 20 N 0.68 0.17 -0.16 1.13 3.86 -0.80 -1.05 115.15 118.98 2b5h h HIS 20 Ca 0.15 -0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.19 2b5h h HIS 20 Cb 0.31 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2b5h h HIS 20 CO 0.02 0.27 -0.48 0.93 0.86 0.00 0.00 177.93 179.52 2b5h h GLU 21 N 0.17 0.61 0.00 2.45 5.08 -0.83 -2.86 114.58 119.20 2b5h h GLU 21 Ca 0.04 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 2b5h h GLU 21 Cb 0.28 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2b5h h GLU 21 CO 0.02 1.06 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.97 2b5h h LEU 22 N 0.27 0.00 -3.30 1.33 3.38 -0.58 -2.51 115.31 113.90 2b5h h LEU 22 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2b5h h LEU 22 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2b5h h LEU 22 CO 0.10 0.05 0.00 0.49 0.09 0.00 0.00 178.44 179.18 2b5h n PHE 23 N -3.24 1.09 0.23 1.13 3.72 -0.45 -4.60 117.46 115.34 2b5h n PHE 23 Ca -0.01 -0.88 0.09 0.00 -0.05 0.00 0.00 57.45 56.60 2b5h n PHE 23 Cb 0.26 -0.35 0.57 0.00 -0.94 0.00 0.00 39.48 39.02 2b5h n PHE 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2b5h h ALA 24 N 2.02 1.28 -3.00 4.37 0.00 -1.20 -3.45 119.26 119.29 2b5h h ALA 24 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2b5h h ALA 24 Cb 1.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2b5h h ALA 24 CO 0.26 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2b5h n GLY 25 N -0.49 2.03 0.19 0.00 0.00 -1.26 -5.05 105.19 100.60 2b5h n GLY 25 Ca -0.01 -2.03 0.09 0.00 0.00 0.00 0.00 46.02 44.07 2b5h n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b5h n ASP 26 N 0.00 1.31 -4.81 1.61 8.00 -1.26 -4.96 116.55 116.44 2b5h n ASP 26 Ca 0.00 -1.16 -0.32 0.00 0.71 0.00 0.00 54.79 54.03 2b5h n ASP 26 Cb 0.00 0.78 -0.05 0.00 -0.02 0.00 0.00 41.12 41.83 2b5h n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2b5h s GLU 27 N -2.59 2.22 -0.06 -1.24 0.41 -1.26 -5.15 118.70 111.04 2b5h s GLU 27 Ca 0.11 -2.32 -0.01 0.00 -0.41 0.00 0.00 54.97 52.34 2b5h s GLU 27 Cb 0.15 -1.68 0.03 0.00 -1.78 0.00 0.00 34.13 30.85 2b5h s GLU 27 CO 0.67 -0.45 -0.01 0.08 -0.49 0.00 0.00 175.26 175.06 2b5h s VAL 28 N -2.86 0.40 -0.67 2.63 1.01 -1.26 -4.86 120.40 114.78 2b5h s VAL 28 Ca 0.11 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 2b5h s VAL 28 Cb 0.00 -0.52 0.09 0.00 0.00 0.00 0.00 36.38 35.96 2b5h s VAL 28 CO 0.07 0.24 0.90 0.21 0.00 0.00 0.00 175.10 176.52 2b5h s ASN 29 N 1.63 6.23 0.20 3.32 3.84 -1.26 -4.91 114.94 124.00 2b5h s ASN 29 Ca -0.00 -1.28 -0.11 0.00 0.21 0.00 0.00 52.86 51.68 2b5h s ASN 29 Cb -0.13 -2.38 0.16 0.00 -0.55 0.00 0.00 41.25 38.36 2b5h s ASN 29 CO -0.04 -1.28 1.85 0.58 -2.79 0.00 0.00 177.10 175.42 2b5h h VAL 30 N 5.93 1.10 -0.17 -5.21 2.07 -1.99 -1.25 116.25 116.73 2b5h h VAL 30 Ca -0.23 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 66.89 2b5h h VAL 30 Cb 1.07 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2b5h h VAL 30 CO 1.14 0.15 -0.37 -0.33 0.02 0.00 0.00 177.57 178.19 2b5h h GLU 31 N 0.83 0.37 -0.23 1.57 3.07 -1.99 -0.47 114.58 117.73 2b5h h GLU 31 Ca 0.26 -0.17 -0.14 0.00 -0.50 0.00 0.00 59.36 58.82 2b5h h GLU 31 Cb -0.00 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 2b5h h GLU 31 CO -0.10 0.69 -0.39 0.93 -1.40 0.00 0.00 179.01 178.74 2b5h h GLU 32 N 0.31 0.66 -0.54 2.33 5.08 -1.89 -0.98 114.58 119.55 2b5h h GLU 32 Ca 0.03 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 2b5h h GLU 32 Cb 0.79 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2b5h h GLU 32 CO 0.06 1.03 0.24 0.28 -1.00 0.00 0.00 179.01 179.62 2b5h h VAL 33 N 0.37 1.21 -0.71 3.13 2.07 -1.02 -1.38 116.25 119.92 2b5h h VAL 33 Ca 0.02 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 2b5h h VAL 33 Cb 0.99 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2b5h h VAL 33 CO 0.09 0.24 0.16 -0.61 0.02 0.00 0.00 177.57 177.47 2b5h h GLN 34 N 0.73 1.14 -0.73 1.57 4.15 -1.08 -1.08 115.11 119.82 2b5h h GLN 34 Ca 0.18 -0.28 -0.05 0.00 0.77 0.00 0.00 58.65 59.27 2b5h h GLN 34 Cb 0.16 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 2b5h h GLN 34 CO -0.02 1.01 0.25 0.00 -1.93 0.00 0.00 178.83 178.15 2b5h h ALA 35 N 1.08 0.96 -0.20 3.38 0.00 -0.86 0.00 119.26 123.62 2b5h h ALA 35 Ca 0.22 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2b5h h ALA 35 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2b5h h ALA 35 CO 0.00 0.62 -0.50 -0.24 0.00 0.00 0.00 179.25 179.13 2b5h h VAL 36 N 1.07 1.31 -0.43 0.00 3.04 -0.97 -1.27 116.25 119.01 2b5h h VAL 36 Ca 0.24 -1.73 -0.05 0.00 -1.01 0.00 0.00 66.70 64.16 2b5h h VAL 36 Cb 0.27 1.70 -0.02 0.00 -2.01 0.00 0.00 31.29 31.23 2b5h h VAL 36 CO -0.01 0.54 0.08 -0.07 -1.01 0.00 0.00 177.57 177.10 2b5h h LEU 37 N 0.44 0.68 -1.17 3.16 3.38 -0.92 -2.59 115.31 118.30 2b5h h LEU 37 Ca 0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2b5h h LEU 37 Cb 1.03 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 2b5h h LEU 37 CO 0.10 0.76 0.25 -0.08 0.09 0.00 0.00 178.44 179.55 2b5h h GLU 38 N 0.58 0.84 0.00 1.13 4.81 -0.85 -2.93 114.58 118.15 2b5h h GLU 38 Ca 0.13 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2b5h h GLU 38 Cb 0.36 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2b5h h GLU 38 CO 0.01 0.67 -0.26 0.00 -0.73 0.00 0.00 179.01 178.70 2b5h h ALA 39 N 1.45 1.12 -2.25 2.92 0.00 -0.94 -3.42 119.26 118.15 2b5h h ALA 39 Ca 0.20 -0.23 -0.55 0.00 0.00 0.00 0.00 54.91 54.33 2b5h h ALA 39 Cb 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2b5h h ALA 39 CO -0.02 0.32 1.08 -0.47 0.00 0.00 0.00 179.25 180.17 2b5h s TYR 40 N -3.85 2.01 -0.37 0.00 5.04 -1.00 -4.65 117.35 114.52 2b5h s TYR 40 Ca -0.01 0.24 -0.25 0.00 -2.44 0.00 0.00 57.07 54.60 2b5h s TYR 40 Cb 0.12 -3.90 0.01 0.00 0.35 0.00 0.00 41.96 38.54 2b5h s TYR 40 CO 0.65 -3.75 0.90 -1.21 -1.34 0.00 0.00 175.55 170.80 2b5h s GLU 41 N 4.06 3.80 0.02 4.97 2.02 -1.26 -4.98 118.70 127.33 2b5h s GLU 41 Ca 0.73 0.50 -0.37 0.00 0.02 0.00 0.00 54.97 55.85 2b5h s GLU 41 Cb -0.33 -3.81 -0.16 0.00 0.10 0.00 0.00 34.13 29.93 2b5h s GLU 41 CO 0.29 -0.95 1.47 0.45 0.02 0.00 0.00 175.26 176.54 2b5h n SER 42 N 6.74 2.07 -3.92 -0.19 2.88 -1.26 -4.94 113.62 115.00 2b5h n SER 42 Ca 0.06 1.10 -0.31 0.00 -1.33 0.00 0.00 58.87 58.40 2b5h n SER 42 Cb 0.48 -1.22 -0.15 0.00 -0.75 0.00 0.00 64.21 62.57 2b5h n SER 42 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2b5h s ASN 43 N 1.26 4.28 0.37 -3.46 3.84 -1.26 -5.02 114.94 114.95 2b5h s ASN 43 Ca 0.87 -1.69 0.15 0.00 0.21 0.00 0.00 52.86 52.39 2b5h s ASN 43 Cb -0.92 -1.28 1.00 0.00 -0.55 0.00 0.00 41.25 39.49 2b5h s ASN 43 CO 0.49 -0.34 1.78 -0.65 -2.79 0.00 0.00 177.10 175.59 2b5h h PRO 44 N 7.85 0.48 -0.11 0.43 0.11 -1.92 0.19 132.00 139.04 2b5h h PRO 44 Ca -0.11 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 2b5h h PRO 44 Cb 1.03 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 2b5h h PRO 44 CO 0.47 0.32 0.02 0.00 -0.21 0.00 0.00 178.00 178.60 2b5h h ALA 45 N 1.64 1.83 0.00 -0.75 0.00 -2.01 -1.00 119.26 118.98 2b5h h ALA 45 Ca 0.58 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.40 2b5h h ALA 45 Cb 1.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2b5h h ALA 45 CO -0.32 0.13 -0.17 0.93 0.00 0.00 0.00 179.25 179.83 2b5h h GLU 46 N 0.15 0.00 0.00 0.00 5.08 -1.39 -3.30 114.58 115.12 2b5h h GLU 46 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2b5h h GLU 46 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2b5h h GLU 46 CO -0.00 0.17 0.00 -2.67 -1.00 0.00 0.00 179.01 175.51 2b5h n TRP 47 N -3.27 0.00 -0.33 4.33 4.27 -0.98 -4.72 117.44 116.73 2b5h n TRP 47 Ca 0.01 -0.29 0.15 0.00 -3.89 0.00 0.00 57.50 53.48 2b5h n TRP 47 Cb 0.43 -0.03 0.37 0.00 -1.36 0.00 0.00 31.31 30.72 2b5h n TRP 47 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2b5h h ALA 48 N 0.00 1.81 -0.68 -1.67 0.00 -1.28 -0.87 119.26 116.58 2b5h h ALA 48 Ca 0.00 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.11 2b5h h ALA 48 Cb 0.37 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2b5h h ALA 48 CO 0.00 -0.17 0.46 1.25 0.00 0.00 0.00 179.25 180.80 2b5h h LEU 49 N 0.68 0.31 -0.20 0.00 5.85 -1.84 -2.14 115.31 117.96 2b5h h LEU 49 Ca 0.56 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.29 2b5h h LEU 49 Cb 0.98 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2b5h h LEU 49 CO -0.33 0.16 -0.72 -1.22 -0.34 0.00 0.00 178.44 175.99 2b5h n TYR 50 N -4.46 0.00 -2.45 1.25 4.01 -0.35 -4.61 117.16 110.56 2b5h n TYR 50 Ca 0.13 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.44 2b5h n TYR 50 Cb 0.52 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 2b5h n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b5h n ALA 51 N -1.19 5.11 -2.54 -0.72 0.00 -0.80 -4.75 120.51 115.62 2b5h n ALA 51 Ca 0.06 -4.31 -0.42 0.00 0.00 0.00 0.00 53.44 48.77 2b5h n ALA 51 Cb 0.36 -2.99 -0.10 0.00 0.00 0.00 0.00 19.45 16.71 2b5h n ALA 51 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2b5h s LYS 52 N 0.55 3.11 0.32 0.00 1.02 -1.26 -5.03 119.74 118.45 2b5h s LYS 52 Ca 0.40 -0.91 -0.03 0.00 0.02 0.00 0.00 55.97 55.45 2b5h s LYS 52 Cb 0.07 -3.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 2b5h s LYS 52 CO 0.01 -0.65 0.56 -0.06 -0.92 0.00 0.00 175.35 174.29 2b5h s PHE 53 N 1.67 3.49 0.03 3.18 0.08 -1.26 -4.74 117.98 120.43 2b5h s PHE 53 Ca 0.05 0.53 0.09 0.00 0.12 0.00 0.00 56.93 57.72 2b5h s PHE 53 Cb -0.19 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 2b5h s PHE 53 CO 0.10 0.12 -0.26 0.34 -0.10 0.00 0.00 175.22 175.42 2b5h s ASP 54 N -3.59 3.06 0.44 1.36 2.15 -1.26 -5.05 116.67 113.79 2b5h s ASP 54 Ca 0.42 -0.55 0.19 0.00 0.43 0.00 0.00 52.55 53.04 2b5h s ASP 54 Cb -0.10 -0.29 1.01 0.00 -0.30 0.00 0.00 42.92 43.24 2b5h s ASP 54 CO 0.34 0.26 1.92 -0.61 -0.17 0.00 0.00 175.17 176.91 2b5h h GLN 55 N 4.98 0.00 0.00 4.34 4.15 -2.00 -3.31 115.11 123.26 2b5h h GLN 55 Ca -0.45 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 58.86 2b5h h GLN 55 Cb 1.14 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 2b5h h GLN 55 CO 0.44 0.25 -2.10 0.66 -1.93 0.00 0.00 178.83 176.16 2b5h n TYR 56 N -3.87 0.00 -3.84 3.99 4.01 -1.26 -4.97 117.16 111.22 2b5h n TYR 56 Ca -0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.64 2b5h n TYR 56 Cb 0.34 -0.63 -0.03 0.00 -0.31 0.00 0.00 39.34 38.70 2b5h n TYR 56 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2b5h s ARG 57 N -3.21 1.60 0.61 -0.72 1.70 -1.25 -5.01 118.95 112.67 2b5h s ARG 57 Ca -0.08 -1.00 -0.16 0.00 -0.47 0.00 0.00 55.73 54.02 2b5h s ARG 57 Cb 0.12 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 35.02 2b5h s ARG 57 CO 0.88 -0.70 1.09 1.52 -1.08 0.00 0.00 175.30 177.00 2b5h s TYR 58 N -3.92 2.79 0.17 5.89 -0.85 -1.26 -4.13 117.35 116.04 2b5h s TYR 58 Ca 0.13 1.54 0.11 0.00 -0.52 0.00 0.00 57.07 58.32 2b5h s TYR 58 Cb -0.03 -3.12 -0.04 0.00 0.38 0.00 0.00 41.96 39.15 2b5h s TYR 58 CO 0.04 -1.40 -0.22 0.95 -1.52 0.00 0.00 175.55 173.40 2b5h s THR 59 N -2.28 2.51 -0.20 -3.49 -4.23 -0.69 -4.95 115.64 102.31 2b5h s THR 59 Ca 0.66 -1.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 2b5h s THR 59 Cb -0.19 -2.19 -0.00 0.00 1.34 0.00 0.00 72.50 71.46 2b5h s THR 59 CO 0.36 -0.06 -0.09 -0.13 -0.54 0.00 0.00 174.62 174.16 2b5h s ARG 60 N -2.53 3.27 -0.24 3.99 0.52 -1.26 -1.61 118.95 121.10 2b5h s ARG 60 Ca 0.20 -0.69 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 2b5h s ARG 60 Cb -0.09 -2.85 0.06 0.00 0.52 0.00 0.00 34.95 32.59 2b5h s ARG 60 CO 0.10 -0.16 -0.07 -0.80 0.02 0.00 0.00 175.30 174.39 2b5h s ASN 61 N 1.32 4.04 0.10 0.23 0.01 0.21 -0.21 114.94 120.63 2b5h s ASN 61 Ca 0.04 -1.24 -0.31 0.00 -0.71 0.00 0.00 52.86 50.64 2b5h s ASN 61 Cb -0.14 -1.30 -0.07 0.00 0.41 0.00 0.00 41.25 40.15 2b5h s ASN 61 CO -0.05 -0.22 1.25 -0.22 -1.51 0.00 0.00 177.10 176.35 2b5h s LEU 62 N 1.30 4.38 -0.20 0.60 2.96 -0.37 -0.28 118.68 127.08 2b5h s LEU 62 Ca -0.07 2.13 -0.06 0.00 -0.22 0.00 0.00 54.13 55.91 2b5h s LEU 62 Cb -0.19 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.81 2b5h s LEU 62 CO -0.06 -0.50 -0.23 0.52 -1.32 0.00 0.00 176.35 174.77 2b5h n VAL 63 N 3.67 1.10 -3.77 1.68 0.31 0.58 -0.80 118.33 121.09 2b5h n VAL 63 Ca 0.09 -0.33 -0.13 0.00 -0.01 0.00 0.00 64.34 63.96 2b5h n VAL 63 Cb 0.45 -1.57 -0.10 0.00 -0.91 0.00 0.00 33.84 31.71 2b5h n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2b5h s ASP 64 N -6.48 -0.25 -0.02 4.52 2.15 -0.85 -4.70 116.67 111.03 2b5h s ASP 64 Ca -0.27 0.36 0.21 0.00 0.43 0.00 0.00 52.55 53.29 2b5h s ASP 64 Cb 0.09 0.49 0.65 0.00 -0.30 0.00 0.00 42.92 43.85 2b5h s ASP 64 CO 0.38 -0.26 1.55 0.00 -0.17 0.00 0.00 175.17 176.67 2b5h n GLN 65 N 2.17 2.88 -2.85 4.34 6.02 -1.26 -1.02 117.38 127.65 2b5h n GLN 65 Ca -0.17 -2.65 -0.17 0.00 -0.01 0.00 0.00 57.00 54.00 2b5h n GLN 65 Cb 0.57 -1.63 -0.00 0.00 1.02 0.00 0.00 30.24 30.20 2b5h n GLN 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2b5h n GLY 66 N 1.55 -0.50 3.12 1.08 0.00 -1.11 -0.82 105.19 108.52 2b5h n GLY 66 Ca 0.24 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 2b5h n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2b5h n ASN 67 N -2.04 -4.17 0.00 1.61 3.02 -1.26 -0.97 115.26 111.45 2b5h n ASN 67 Ca -0.09 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 2b5h n ASN 67 Cb 0.58 -3.45 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 2b5h n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b5h n GLY 68 N -1.16 1.98 0.11 7.41 0.00 -0.00 -4.90 105.19 108.62 2b5h n GLY 68 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 2b5h n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b5h h LYS 69 N 2.69 0.00 -2.84 1.61 1.79 -1.20 -3.42 116.57 115.21 2b5h h LYS 69 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2b5h h LYS 69 Cb 0.00 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.52 2b5h h LYS 69 CO 0.00 0.46 0.21 -0.59 -1.08 0.00 0.00 179.45 178.45 2b5h s PHE 70 N -2.89 -0.55 -0.13 -1.35 -0.12 -1.25 -4.18 117.98 107.50 2b5h s PHE 70 Ca -0.00 0.44 -0.02 0.00 -0.05 0.00 0.00 56.93 57.30 2b5h s PHE 70 Cb 0.08 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 42.99 2b5h s PHE 70 CO 0.79 -0.81 -0.07 -0.80 -0.05 0.00 0.00 175.22 174.28 2b5h s ASN 71 N -2.52 4.56 -0.17 1.98 0.01 -0.35 -2.73 114.94 115.72 2b5h s ASN 71 Ca -0.01 -0.15 -0.02 0.00 -0.71 0.00 0.00 52.86 51.97 2b5h s ASN 71 Cb -0.01 -1.60 -0.01 0.00 0.41 0.00 0.00 41.25 40.05 2b5h s ASN 71 CO -0.10 0.21 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.38 2b5h s LEU 72 N 0.09 2.71 0.07 0.60 2.96 -0.19 -1.60 118.68 123.33 2b5h s LEU 72 Ca -0.02 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.43 2b5h s LEU 72 Cb -0.14 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 2b5h s LEU 72 CO 0.03 0.07 0.11 0.00 -1.32 0.00 0.00 176.35 175.24 2b5h s MET 73 N 0.94 0.75 -0.16 1.98 0.23 0.31 -0.31 119.30 123.05 2b5h s MET 73 Ca -0.02 -1.05 -0.02 0.00 -1.03 0.00 0.00 55.69 53.57 2b5h s MET 73 Cb -0.15 0.29 -0.02 0.00 -1.53 0.00 0.00 34.83 33.43 2b5h s MET 73 CO -0.01 -0.21 -0.08 0.42 -2.03 0.00 0.00 175.02 173.12 2b5h s ILE 74 N -3.86 3.46 -0.13 3.16 1.01 0.62 -0.10 121.20 125.35 2b5h s ILE 74 Ca 0.06 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 2b5h s ILE 74 Cb 0.06 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 2b5h s ILE 74 CO -0.11 0.49 0.01 -0.76 0.00 0.00 0.00 174.94 174.58 2b5h s LEU 75 N 0.56 3.59 -0.23 2.97 1.02 0.60 -0.62 118.68 126.57 2b5h s LEU 75 Ca -0.05 0.08 -0.01 0.00 0.02 0.00 0.00 54.13 54.17 2b5h s LEU 75 Cb -0.15 -1.86 0.02 0.00 0.02 0.00 0.00 46.19 44.23 2b5h s LEU 75 CO 0.03 0.28 -0.09 0.00 0.02 0.00 0.00 176.35 176.58 2b5h s TRP 77 N 1.31 3.25 1.07 0.00 0.52 0.12 -1.70 118.94 123.50 2b5h s TRP 77 Ca 0.01 -1.61 -0.13 0.00 0.02 0.00 0.00 56.10 54.40 2b5h s TRP 77 Cb -0.16 -2.19 0.23 0.00 -1.15 0.00 0.00 33.47 30.20 2b5h s TRP 77 CO -0.06 -0.76 1.07 0.20 0.02 0.00 0.00 176.95 177.42 2b5h s GLY 78 N 1.34 1.55 0.04 0.98 0.00 -1.26 -1.27 107.32 108.70 2b5h s GLY 78 Ca -0.03 -0.30 -0.34 0.00 0.00 0.00 0.00 44.72 44.04 2b5h s GLY 78 CO 0.01 0.36 1.72 1.18 0.00 0.00 0.00 173.10 176.37 2b5h n GLU 79 N -4.47 2.15 -0.98 2.90 4.71 -1.26 -1.29 120.64 122.39 2b5h n GLU 79 Ca 0.04 0.78 0.00 0.00 -0.01 0.00 0.00 57.16 57.97 2b5h n GLU 79 Cb 0.56 -2.59 0.00 0.00 -1.01 0.00 0.00 31.44 28.41 2b5h n GLU 79 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2b5h n GLY 80 N 3.88 0.94 3.77 0.62 0.00 -0.62 -4.98 105.19 108.80 2b5h n GLY 80 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2b5h n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b5h s HIS 81 N -3.77 3.76 0.29 1.61 3.76 -0.41 -4.81 115.29 115.73 2b5h s HIS 81 Ca 0.00 1.82 -0.13 0.00 -0.15 0.00 0.00 55.06 56.60 2b5h s HIS 81 Cb 0.00 -2.95 0.01 0.00 1.11 0.00 0.00 32.58 30.75 2b5h s HIS 81 CO 0.00 0.25 0.58 0.20 -0.85 0.00 0.00 174.74 174.91 2b5h s GLY 82 N -1.48 0.55 0.50 -2.22 0.00 -1.26 -0.20 107.32 103.21 2b5h s GLY 82 Ca 0.48 -0.86 0.09 0.00 0.00 0.00 0.00 44.72 44.43 2b5h s GLY 82 CO 0.26 -0.53 0.68 -1.35 0.00 0.00 0.00 173.10 172.16 2b5h s SER 83 N -3.05 5.34 0.83 1.64 1.04 0.45 -4.83 113.70 115.13 2b5h s SER 83 Ca 0.20 -0.66 -0.12 0.00 0.48 0.00 0.00 55.95 55.85 2b5h s SER 83 Cb -0.02 -0.15 0.10 0.00 0.10 0.00 0.00 66.02 66.04 2b5h s SER 83 CO 0.11 -1.06 1.19 -0.94 0.98 0.00 0.00 173.24 173.52 2b5h s SER 84 N -4.51 4.30 0.02 7.02 1.04 -1.26 -4.61 113.70 115.70 2b5h s SER 84 Ca 0.58 0.74 -0.30 0.00 0.48 0.00 0.00 55.95 57.45 2b5h s SER 84 Cb -0.08 -1.19 -0.04 0.00 0.10 0.00 0.00 66.02 64.82 2b5h s SER 84 CO 0.36 -2.03 1.02 -0.63 0.98 0.00 0.00 173.24 172.93 2b5h s ILE 85 N -3.59 4.69 0.15 -1.02 1.01 -1.26 -4.38 121.20 116.80 2b5h s ILE 85 Ca 0.63 1.95 -0.10 0.00 0.00 0.00 0.00 60.65 63.13 2b5h s ILE 85 Cb -0.10 -4.25 -0.00 0.00 0.01 0.00 0.00 42.46 38.11 2b5h s ILE 85 CO 0.50 0.16 0.30 -1.38 0.00 0.00 0.00 174.94 174.52 2b5h s HIS 86 N 0.94 0.27 0.02 3.97 -3.43 -0.37 -0.72 115.29 115.97 2b5h s HIS 86 Ca 0.53 -0.64 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 2b5h s HIS 86 Cb -0.23 0.01 0.00 0.00 -1.43 0.00 0.00 32.58 30.94 2b5h s HIS 86 CO 0.28 -0.72 0.02 -0.40 -2.00 0.00 0.00 174.74 171.93 2b5h n ASP 87 N -0.21 0.31 -0.95 7.38 5.75 -1.15 -2.20 116.55 125.49 2b5h n ASP 87 Ca -0.09 -1.04 0.03 0.00 -0.01 0.00 0.00 54.79 53.68 2b5h n ASP 87 Cb 0.63 -0.01 0.05 0.00 -1.03 0.00 0.00 41.12 40.76 2b5h n ASP 87 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2b5h n HIS 88 N -0.90 0.00 -3.83 2.11 8.25 -1.26 -4.67 115.22 114.92 2b5h n HIS 88 Ca 0.00 -0.49 -0.25 0.00 -0.26 0.00 0.00 57.72 56.72 2b5h n HIS 88 Cb 0.02 -0.13 0.02 0.00 1.12 0.00 0.00 29.99 31.01 2b5h n HIS 88 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2b5h n THR 89 N -0.02 -3.42 -2.05 1.59 -1.04 -1.26 -0.96 114.28 107.12 2b5h n THR 89 Ca 0.06 -0.36 -0.21 0.00 -2.04 0.00 0.00 64.05 61.51 2b5h n THR 89 Cb 0.91 -3.22 -0.04 0.00 -1.82 0.00 0.00 70.33 66.16 2b5h n THR 89 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2b5h n ASP 90 N -2.97 -5.71 -4.57 8.00 8.00 -1.26 -4.98 116.55 113.06 2b5h n ASP 90 Ca -0.20 0.21 -0.25 0.00 0.71 0.00 0.00 54.79 55.26 2b5h n ASP 90 Cb 0.63 -4.86 -0.09 0.00 -0.02 0.00 0.00 41.12 36.79 2b5h n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2b5h s SER 91 N -2.38 4.20 0.33 -2.24 0.01 -0.14 -4.74 113.70 108.75 2b5h s SER 91 Ca 0.00 -0.67 -0.27 0.00 1.31 0.00 0.00 55.95 56.32 2b5h s SER 91 Cb 0.00 -0.68 -0.09 0.00 0.21 0.00 0.00 66.02 65.46 2b5h s SER 91 CO 0.00 0.07 1.12 -1.00 0.41 0.00 0.00 173.24 173.84 2b5h s HIS 92 N -1.96 3.37 -0.09 2.43 3.76 0.17 -4.47 115.29 118.50 2b5h s HIS 92 Ca 0.27 1.64 -0.01 0.00 -0.15 0.00 0.00 55.06 56.80 2b5h s HIS 92 Cb -0.08 -3.31 0.03 0.00 1.11 0.00 0.00 32.58 30.33 2b5h s HIS 92 CO 0.16 -0.83 0.00 0.00 -0.85 0.00 0.00 174.74 173.22 2b5h s PHE 94 N 1.95 2.83 -0.11 0.00 0.08 0.16 -1.07 117.98 121.81 2b5h s PHE 94 Ca 0.04 -0.10 -0.02 0.00 0.12 0.00 0.00 56.93 56.97 2b5h s PHE 94 Cb -0.13 -1.69 0.04 0.00 -0.57 0.00 0.00 43.02 40.67 2b5h s PHE 94 CO -0.06 0.23 0.02 -1.17 -0.10 0.00 0.00 175.22 174.14 2b5h s LEU 95 N -0.68 0.70 -0.14 -0.37 0.20 -0.04 -1.09 118.68 117.27 2b5h s LEU 95 Ca 0.10 -0.32 0.01 0.00 0.69 0.00 0.00 54.13 54.60 2b5h s LEU 95 Cb -0.11 -0.45 -0.01 0.00 -0.43 0.00 0.00 46.19 45.19 2b5h s LEU 95 CO 0.01 -0.24 -0.16 -0.75 -0.29 0.00 0.00 176.35 174.93 2b5h s LYS 96 N 1.97 3.26 0.04 1.98 2.20 0.48 -0.10 119.74 129.57 2b5h s LYS 96 Ca 0.03 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.60 2b5h s LYS 96 Cb -0.14 -2.59 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 2b5h s LYS 96 CO -0.06 0.11 1.06 -0.51 -0.36 0.00 0.00 175.35 175.58 2b5h s LEU 97 N 0.59 4.39 -0.08 5.43 2.01 -0.40 0.20 118.68 130.81 2b5h s LEU 97 Ca -0.09 1.82 0.16 0.00 0.01 0.00 0.00 54.13 56.03 2b5h s LEU 97 Cb -0.16 -3.58 -0.24 0.00 0.01 0.00 0.00 46.19 42.23 2b5h s LEU 97 CO 0.03 -0.31 0.24 0.18 1.01 0.00 0.00 176.35 177.50 2b5h n LEU 98 N 3.70 0.00 -3.64 1.79 4.77 0.68 -0.55 117.00 123.75 2b5h n LEU 98 Ca 0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 2b5h n LEU 98 Cb 0.49 0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.69 2b5h n LEU 98 CO 0.53 0.18 0.43 -1.58 -1.33 0.00 0.00 177.39 175.62 2b5h s GLN 99 N -2.84 0.71 1.66 3.23 0.74 -0.71 -4.82 119.66 117.62 2b5h s GLN 99 Ca -0.07 1.06 0.00 0.00 0.05 0.00 0.00 55.36 56.40 2b5h s GLN 99 Cb 0.08 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.42 2b5h s GLN 99 CO 0.69 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.72 2b5h n GLY 100 N 3.59 -1.26 3.00 2.59 0.00 -1.26 -0.81 105.19 111.03 2b5h n GLY 100 Ca -0.17 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 2b5h n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b5h s ASN 101 N -4.00 0.24 0.02 1.61 0.01 -1.26 -3.16 114.94 108.40 2b5h s ASN 101 Ca 0.00 -0.51 0.03 0.00 -0.71 0.00 0.00 52.86 51.67 2b5h s ASN 101 Cb 0.00 0.11 -0.01 0.00 0.41 0.00 0.00 41.25 41.76 2b5h s ASN 101 CO 0.00 -0.32 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.41 2b5h s LEU 102 N -1.55 2.12 -0.18 0.60 1.43 -0.66 -4.64 118.68 115.79 2b5h s LEU 102 Ca -0.14 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 2b5h s LEU 102 Cb -0.09 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 2b5h s LEU 102 CO -0.01 0.01 0.38 -0.75 0.23 0.00 0.00 176.35 176.20 2b5h s LYS 103 N -0.80 4.21 -0.20 1.70 2.20 0.55 0.23 119.74 127.63 2b5h s LYS 103 Ca -0.00 0.19 -0.05 0.00 -0.36 0.00 0.00 55.97 55.75 2b5h s LYS 103 Cb -0.06 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 2b5h s LYS 103 CO 0.00 0.05 -0.01 -2.00 -0.36 0.00 0.00 175.35 173.03 2b5h s GLU 104 N 1.03 3.57 -0.15 4.03 2.12 0.22 -1.09 118.70 128.42 2b5h s GLU 104 Ca 0.19 -0.54 -0.01 0.00 0.36 0.00 0.00 54.97 54.96 2b5h s GLU 104 Cb -0.14 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.18 2b5h s GLU 104 CO 0.07 -0.02 -0.10 0.99 -0.54 0.00 0.00 175.26 175.66 2b5h s THR 105 N 1.07 3.17 -0.08 -1.70 2.01 -0.30 -1.00 115.64 118.80 2b5h s THR 105 Ca 0.02 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 61.34 2b5h s THR 105 Cb -0.14 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 2b5h s THR 105 CO 0.01 0.50 0.19 -0.76 -0.69 0.00 0.00 174.62 173.87 2b5h s LEU 106 N 0.63 4.40 0.03 4.42 1.43 -0.27 -0.96 118.68 128.37 2b5h s LEU 106 Ca -0.06 0.52 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 2b5h s LEU 106 Cb -0.15 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 2b5h s LEU 106 CO 0.03 0.37 -0.09 -0.36 0.23 0.00 0.00 176.35 176.53 2b5h s PHE 107 N -1.09 0.76 0.59 0.29 0.08 -0.31 -0.30 117.98 118.00 2b5h s PHE 107 Ca 0.18 -0.37 -0.11 0.00 0.12 0.00 0.00 56.93 56.76 2b5h s PHE 107 Cb -0.13 -0.46 -0.04 0.00 -0.57 0.00 0.00 43.02 41.82 2b5h s PHE 107 CO 0.08 -0.03 0.99 -0.51 -0.10 0.00 0.00 175.22 175.65 2b5h s ASP 108 N -1.14 6.28 0.27 1.36 1.01 -1.26 -0.96 116.67 122.22 2b5h s ASP 108 Ca -0.04 1.37 -0.30 0.00 0.71 0.00 0.00 52.55 54.29 2b5h s ASP 108 Cb -0.08 -2.45 -0.11 0.00 1.01 0.00 0.00 42.92 41.30 2b5h s ASP 108 CO 0.01 -0.80 1.58 0.26 0.21 0.00 0.00 175.17 176.43 2b5h s TRP 109 N -3.07 2.84 0.85 4.23 0.52 -1.26 -4.78 118.94 118.28 2b5h s TRP 109 Ca 0.54 0.75 -0.12 0.00 0.02 0.00 0.00 56.10 57.30 2b5h s TRP 109 Cb -0.11 -4.03 0.10 0.00 -1.15 0.00 0.00 33.47 28.29 2b5h s TRP 109 CO 0.50 -3.53 1.10 -1.25 0.02 0.00 0.00 176.95 173.79 2b5h s PRO 110 N -0.14 1.62 0.74 4.98 0.04 -1.26 -5.07 135.00 135.91 2b5h s PRO 110 Ca 0.65 0.72 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 2b5h s PRO 110 Cb -0.47 -1.86 0.13 0.00 0.04 0.00 0.00 34.50 32.34 2b5h s PRO 110 CO 0.44 -1.96 1.02 -0.51 0.04 0.00 0.00 177.00 176.03 2b5h s ASP 111 N -3.66 4.27 0.36 6.66 1.01 -1.26 -4.98 116.67 119.07 2b5h s ASP 111 Ca 0.62 -0.24 0.17 0.00 0.71 0.00 0.00 52.55 53.81 2b5h s ASP 111 Cb -0.16 -0.13 0.63 0.00 1.01 0.00 0.00 42.92 44.27 2b5h s ASP 111 CO 0.56 -1.92 1.72 0.11 0.21 0.00 0.00 175.17 175.85 2b5h h LYS 112 N -0.63 0.00 -6.58 8.23 1.57 -1.98 -3.44 116.57 113.75 2b5h h LYS 112 Ca -0.38 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.87 2b5h h LYS 112 Cb 1.27 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.61 2b5h h LYS 112 CO 0.41 0.41 0.73 0.21 -0.57 0.00 0.00 179.45 180.64 2b5h s LYS 113 N -3.62 4.32 0.20 3.15 2.20 -1.26 -4.94 119.74 119.79 2b5h s LYS 113 Ca -0.00 2.11 -0.32 0.00 -0.36 0.00 0.00 55.97 57.40 2b5h s LYS 113 Cb 0.11 -3.22 -0.12 0.00 -1.51 0.00 0.00 37.83 33.09 2b5h s LYS 113 CO 0.70 -0.42 1.75 0.45 -0.36 0.00 0.00 175.35 177.46 2b5h s SER 114 N 0.96 6.37 0.02 1.43 0.15 -1.26 -4.94 113.70 116.43 2b5h s SER 114 Ca 0.64 2.87 -0.28 0.00 0.70 0.00 0.00 55.95 59.88 2b5h s SER 114 Cb -0.38 -2.60 0.09 0.00 -1.71 0.00 0.00 66.02 61.43 2b5h s SER 114 CO 0.32 -0.99 0.76 0.21 1.20 0.00 0.00 173.24 174.75 2b5h s ASN 115 N 1.40 -0.50 0.25 5.45 3.84 -0.57 -5.02 114.94 119.79 2b5h s ASN 115 Ca 0.76 0.21 -0.30 0.00 0.21 0.00 0.00 52.86 53.74 2b5h s ASN 115 Cb -0.50 0.48 -0.10 0.00 -0.55 0.00 0.00 41.25 40.58 2b5h s ASN 115 CO 0.33 -0.69 1.45 -0.70 -2.79 0.00 0.00 177.10 174.70 2b5h s GLU 116 N -2.63 4.26 -0.34 0.43 2.56 -1.18 -3.29 118.70 118.52 2b5h s GLU 116 Ca -0.01 2.32 -0.24 0.00 0.00 0.00 0.00 54.97 57.04 2b5h s GLU 116 Cb -0.01 -3.11 0.01 0.00 2.00 0.00 0.00 34.13 33.02 2b5h s GLU 116 CO -0.05 -0.44 0.81 -1.64 -0.56 0.00 0.00 175.26 173.38 2b5h s MET 117 N -0.31 3.87 -0.16 4.30 -1.94 0.79 -4.96 119.30 120.90 2b5h s MET 117 Ca 0.60 0.50 -0.13 0.00 -1.71 0.00 0.00 55.69 54.95 2b5h s MET 117 Cb -0.42 -3.77 -0.05 0.00 2.01 0.00 0.00 34.83 32.60 2b5h s MET 117 CO 0.43 -0.78 0.26 0.42 -0.01 0.00 0.00 175.02 175.34 2b5h s ILE 118 N 3.09 5.32 0.44 2.53 -1.09 -1.26 -4.92 121.20 125.31 2b5h s ILE 118 Ca 0.33 0.48 -0.25 0.00 -2.23 0.00 0.00 60.65 58.97 2b5h s ILE 118 Cb -0.13 -3.59 -0.08 0.00 -1.58 0.00 0.00 42.46 37.07 2b5h s ILE 118 CO 0.15 0.42 1.41 -1.59 -1.23 0.00 0.00 174.94 174.10 2b5h s LYS 119 N 0.28 3.74 -0.08 2.79 -2.85 -1.26 -4.62 119.74 117.75 2b5h s LYS 119 Ca 0.15 2.39 -0.16 0.00 -1.00 0.00 0.00 55.97 57.35 2b5h s LYS 119 Cb -0.13 -2.68 -0.29 0.00 -2.06 0.00 0.00 37.83 32.67 2b5h s LYS 119 CO 0.03 -0.76 0.63 0.87 0.10 0.00 0.00 175.35 176.22 2b5h h LYS 120 N 2.40 0.29 -2.56 1.78 1.57 -1.03 -3.49 116.57 115.53 2b5h h LYS 120 Ca -0.51 -0.50 0.14 0.00 -1.87 0.00 0.00 60.65 57.91 2b5h h LYS 120 Cb 1.26 0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.71 2b5h h LYS 120 CO 0.61 1.24 0.49 -1.54 -0.57 0.00 0.00 179.45 179.68 2b5h s SER 121 N -7.10 -0.07 -0.01 0.86 1.04 -1.23 -5.01 113.70 102.18 2b5h s SER 121 Ca -0.18 -0.65 -0.16 0.00 0.48 0.00 0.00 55.95 55.44 2b5h s SER 121 Cb 0.04 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.75 2b5h s SER 121 CO 0.80 -1.09 0.33 -1.83 0.98 0.00 0.00 173.24 172.43 2b5h s GLU 122 N -2.67 0.69 0.12 4.02 -1.05 -1.26 -1.11 118.70 117.44 2b5h s GLU 122 Ca 0.17 -0.19 -0.12 0.00 -0.15 0.00 0.00 54.97 54.68 2b5h s GLU 122 Cb -0.03 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 33.99 2b5h s GLU 122 CO 0.05 -0.19 0.30 -0.98 0.95 0.00 0.00 175.26 175.39 2b5h s ARG 123 N -1.38 0.99 -0.28 -4.83 1.70 -0.17 -4.99 118.95 109.99 2b5h s ARG 123 Ca -0.13 -0.87 -0.10 0.00 -0.47 0.00 0.00 55.73 54.16 2b5h s ARG 123 Cb -0.05 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 2b5h s ARG 123 CO 0.04 -0.36 0.16 0.99 -1.08 0.00 0.00 175.30 175.05 2b5h s THR 124 N -3.85 4.99 -0.15 4.99 2.01 -1.26 -0.61 115.64 121.75 2b5h s THR 124 Ca 0.05 0.02 -0.19 0.00 0.31 0.00 0.00 61.69 61.88 2b5h s THR 124 Cb 0.03 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2b5h s THR 124 CO -0.10 0.25 0.53 -0.76 -0.69 0.00 0.00 174.62 173.86 2b5h s LEU 125 N 1.71 4.21 0.36 4.42 1.43 0.14 -4.95 118.68 126.00 2b5h s LEU 125 Ca 0.07 0.80 0.08 0.00 -1.03 0.00 0.00 54.13 54.04 2b5h s LEU 125 Cb -0.16 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 2b5h s LEU 125 CO 0.09 -0.12 0.31 -0.13 0.23 0.00 0.00 176.35 176.73 2b5h s ARG 126 N 1.20 2.65 0.11 1.70 0.52 -1.26 -1.66 118.95 122.20 2b5h s ARG 126 Ca 0.27 -1.38 -0.35 0.00 -0.52 0.00 0.00 55.73 53.74 2b5h s ARG 126 Cb -0.16 -2.43 -0.17 0.00 0.52 0.00 0.00 34.95 32.71 2b5h s ARG 126 CO 0.11 0.01 1.17 -1.91 0.02 0.00 0.00 175.30 174.71 2b5h n GLU 127 N -1.41 0.85 -0.07 3.54 2.13 -1.19 -1.13 120.64 123.37 2b5h n GLU 127 Ca -0.00 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2b5h n GLU 127 Cb 0.60 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.48 2b5h n GLU 127 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2b5h n ASN 128 N 2.10 0.00 -4.77 4.31 5.03 0.28 -4.97 115.26 117.25 2b5h n ASN 128 Ca 0.17 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.25 2b5h n ASN 128 Cb 0.19 -0.47 -0.02 0.00 -1.02 0.00 0.00 39.78 38.46 2b5h n ASN 128 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2b5h s GLN 129 N -0.02 4.02 -0.17 3.52 0.74 -0.28 -4.63 119.66 122.83 2b5h s GLN 129 Ca 0.00 1.74 0.01 0.00 0.05 0.00 0.00 55.36 57.16 2b5h s GLN 129 Cb 0.00 -2.59 0.01 0.00 1.10 0.00 0.00 33.01 31.53 2b5h s GLN 129 CO 0.00 -0.32 -0.18 0.00 -0.55 0.00 0.00 175.29 174.24 2b5h s ALA 131 N 1.13 3.99 0.00 0.00 0.00 0.86 -4.92 121.76 122.83 2b5h s ALA 131 Ca 0.01 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2b5h s ALA 131 Cb -0.14 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.41 2b5h s ALA 131 CO -0.07 0.10 -0.02 -0.47 0.00 0.00 0.00 175.76 175.30 2b5h s TYR 132 N -2.13 0.15 0.03 0.00 5.04 -1.26 -0.86 117.35 118.33 2b5h s TYR 132 Ca 0.39 -0.08 -0.12 0.00 -2.44 0.00 0.00 57.07 54.82 2b5h s TYR 132 Cb -0.09 -0.10 0.01 0.00 0.35 0.00 0.00 41.96 42.14 2b5h s TYR 132 CO 0.29 -0.02 0.26 -1.50 -1.34 0.00 0.00 175.55 173.23 2b5h s ILE 133 N -0.21 0.09 0.17 3.14 2.07 -0.23 -5.03 121.20 121.20 2b5h s ILE 133 Ca -0.01 -0.72 -0.11 0.00 -1.41 0.00 0.00 60.65 58.39 2b5h s ILE 133 Cb -0.02 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.73 2b5h s ILE 133 CO -0.00 -0.40 0.35 0.54 -1.91 0.00 0.00 174.94 173.52 2b5h s ASN 134 N -1.91 -0.03 0.57 4.50 2.20 -1.26 -1.58 114.94 117.42 2b5h s ASN 134 Ca -0.07 -0.78 0.26 0.00 -0.94 0.00 0.00 52.86 51.33 2b5h s ASN 134 Cb -0.02 0.47 1.56 0.00 -2.00 0.00 0.00 41.25 41.27 2b5h s ASN 134 CO -0.02 -0.94 2.12 0.44 -2.94 0.00 0.00 177.10 175.76 2b5h h ASP 135 N 2.45 0.00 0.32 3.54 3.32 -1.78 -1.72 116.42 122.56 2b5h h ASP 135 Ca -0.31 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.65 2b5h h ASP 135 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2b5h h ASP 135 CO 0.45 0.00 -0.41 0.77 -1.72 0.00 0.00 179.24 178.34 2b5h h SER 136 N 0.00 0.12 0.07 6.45 4.64 -1.96 -2.99 113.55 119.88 2b5h h SER 136 Ca 0.08 -0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.17 2b5h h SER 136 Cb 0.40 -0.03 0.02 0.00 -0.31 0.00 0.00 62.40 62.47 2b5h h SER 136 CO -0.00 0.52 -0.78 0.40 -0.87 0.00 0.00 176.83 176.10 2b5h h ILE 137 N 0.10 1.43 0.00 0.95 2.04 -1.74 -3.51 117.51 116.79 2b5h h ILE 137 Ca 0.01 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.58 2b5h h ILE 137 Cb 0.76 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.66 2b5h h ILE 137 CO 0.06 0.67 0.00 0.61 0.00 0.00 0.00 178.15 179.48 2b5h n GLY 138 N 1.31 0.05 3.70 5.37 0.00 -0.98 -4.95 105.19 109.69 2b5h n GLY 138 Ca -0.12 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 2b5h n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b5h s LEU 139 N 0.00 3.38 0.18 0.99 1.43 -0.13 -4.31 118.68 120.21 2b5h s LEU 139 Ca 0.00 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 2b5h s LEU 139 Cb 0.00 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 2b5h s LEU 139 CO 0.00 -0.01 0.36 -1.38 0.23 0.00 0.00 176.35 175.55 2b5h s HIS 140 N -2.25 0.31 0.03 0.29 -3.43 -0.93 -1.16 115.29 108.14 2b5h s HIS 140 Ca 0.32 -0.66 0.08 0.00 -0.80 0.00 0.00 55.06 53.99 2b5h s HIS 140 Cb -0.07 0.06 -0.02 0.00 -1.43 0.00 0.00 32.58 31.11 2b5h s HIS 140 CO 0.21 -0.80 -0.23 0.50 -2.00 0.00 0.00 174.74 172.43 2b5h s ARG 141 N -3.96 1.64 -0.08 -0.38 3.52 -0.13 -1.24 118.95 118.33 2b5h s ARG 141 Ca 0.17 -0.96 0.04 0.00 -0.13 0.00 0.00 55.73 54.84 2b5h s ARG 141 Cb 0.02 -1.73 0.00 0.00 -1.56 0.00 0.00 34.95 31.68 2b5h s ARG 141 CO 0.01 0.45 -0.19 0.08 -0.81 0.00 0.00 175.30 174.85 2b5h s VAL 142 N -0.73 1.62 -0.03 7.11 1.01 -1.26 -1.14 120.40 126.98 2b5h s VAL 142 Ca 0.09 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 2b5h s VAL 142 Cb -0.09 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2b5h s VAL 142 CO 0.01 0.46 0.07 -1.61 0.00 0.00 0.00 175.10 174.04 2b5h s GLU 143 N 0.38 0.08 -0.53 2.72 2.02 -0.25 -0.41 118.70 122.72 2b5h s GLU 143 Ca -0.14 0.10 -0.19 0.00 0.02 0.00 0.00 54.97 54.76 2b5h s GLU 143 Cb -0.16 0.04 0.07 0.00 0.10 0.00 0.00 34.13 34.18 2b5h s GLU 143 CO 0.06 -0.01 0.63 1.21 0.02 0.00 0.00 175.26 177.16 2b5h s ASN 144 N 0.05 6.21 0.00 -0.19 2.47 0.73 -0.33 114.94 123.86 2b5h s ASN 144 Ca -0.00 -1.09 0.29 0.00 0.42 0.00 0.00 52.86 52.47 2b5h s ASN 144 Cb -0.01 -2.28 1.22 0.00 -1.45 0.00 0.00 41.25 38.73 2b5h s ASN 144 CO 0.00 -0.93 1.84 1.33 -3.72 0.00 0.00 177.10 175.62 2b5h n VAL 145 N 5.56 0.00 -2.03 -5.21 0.24 -1.26 -1.59 118.33 114.03 2b5h n VAL 145 Ca -0.08 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.34 61.68 2b5h n VAL 145 Cb 0.44 0.18 -0.00 0.00 -1.47 0.00 0.00 33.84 32.99 2b5h n VAL 145 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2b5h s SER 146 N -2.15 6.27 0.01 -1.34 0.15 -1.26 -4.68 113.70 110.70 2b5h s SER 146 Ca 0.37 2.67 0.23 0.00 0.70 0.00 0.00 55.95 59.92 2b5h s SER 146 Cb 0.21 -2.64 0.19 0.00 -1.71 0.00 0.00 66.02 62.07 2b5h s SER 146 CO 0.39 -0.88 1.18 1.41 1.20 0.00 0.00 173.24 176.54 2b5h n HIS 147 N 0.09 0.03 0.00 3.44 8.25 -1.26 -2.15 115.22 123.63 2b5h n HIS 147 Ca 0.04 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2b5h n HIS 147 Cb 0.43 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.36 2b5h n HIS 147 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2b5h n THR 148 N -1.56 0.00 -3.95 1.59 -2.24 -1.26 -4.93 114.28 101.93 2b5h n THR 148 Ca 0.05 -0.17 -0.28 0.00 -2.27 0.00 0.00 64.05 61.37 2b5h n THR 148 Cb 0.35 0.83 -0.17 0.00 -2.10 0.00 0.00 70.33 69.24 2b5h n THR 148 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2b5h s GLU 149 N -0.55 1.80 0.61 -0.78 0.41 -1.26 -5.05 118.70 113.87 2b5h s GLU 149 Ca 0.00 -0.47 -0.18 0.00 -0.41 0.00 0.00 54.97 53.92 2b5h s GLU 149 Cb 0.00 -1.92 -0.03 0.00 -1.78 0.00 0.00 34.13 30.40 2b5h s GLU 149 CO 0.00 -0.31 1.16 -2.14 -0.49 0.00 0.00 175.26 173.48 2b5h s PRO 150 N 1.59 2.97 0.14 0.39 0.02 -1.26 -4.60 135.00 134.26 2b5h s PRO 150 Ca 0.03 1.65 0.10 0.00 0.02 0.00 0.00 61.00 62.80 2b5h s PRO 150 Cb -0.14 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 2b5h s PRO 150 CO -0.09 -1.16 -0.22 0.00 -0.33 0.00 0.00 177.00 175.20 2b5h s ALA 151 N -1.87 2.56 -0.04 -1.55 0.00 -0.39 -4.39 121.76 116.09 2b5h s ALA 151 Ca 0.73 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2b5h s ALA 151 Cb -0.26 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.39 2b5h s ALA 151 CO 0.34 0.53 -0.05 0.08 0.00 0.00 0.00 175.76 176.66 2b5h s VAL 152 N -1.27 0.55 0.11 0.00 1.01 0.01 -0.71 120.40 120.11 2b5h s VAL 152 Ca 0.18 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.08 2b5h s VAL 152 Cb -0.10 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2b5h s VAL 152 CO 0.09 0.23 -0.14 -0.94 0.00 0.00 0.00 175.10 174.34 2b5h s SER 153 N 0.89 1.89 -0.23 3.32 1.04 -0.16 -0.23 113.70 120.23 2b5h s SER 153 Ca -0.11 -0.77 -0.05 0.00 0.48 0.00 0.00 55.95 55.49 2b5h s SER 153 Cb -0.14 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 2b5h s SER 153 CO 0.00 -0.14 0.00 -0.22 0.98 0.00 0.00 173.24 173.86 2b5h s LEU 154 N -2.31 3.11 -0.03 2.42 2.96 0.13 -0.29 118.68 124.67 2b5h s LEU 154 Ca 0.06 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 53.72 2b5h s LEU 154 Cb -0.06 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 2b5h s LEU 154 CO 0.03 -0.02 -0.21 -1.00 -1.32 0.00 0.00 176.35 173.83 2b5h s HIS 155 N 1.50 2.50 -0.09 5.38 3.76 0.85 -0.39 115.29 128.80 2b5h s HIS 155 Ca 0.06 -0.32 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 2b5h s HIS 155 Cb -0.15 -1.56 0.02 0.00 1.11 0.00 0.00 32.58 32.00 2b5h s HIS 155 CO -0.00 0.05 -0.11 -1.17 -0.85 0.00 0.00 174.74 172.66 2b5h s LEU 156 N -0.65 1.50 -0.08 0.89 0.20 -0.25 -0.53 118.68 119.76 2b5h s LEU 156 Ca 0.10 -0.33 0.04 0.00 0.69 0.00 0.00 54.13 54.63 2b5h s LEU 156 Cb -0.10 -0.89 0.00 0.00 -0.43 0.00 0.00 46.19 44.77 2b5h s LEU 156 CO -0.00 -0.03 -0.20 -0.31 -0.29 0.00 0.00 176.35 175.52 2b5h s TYR 157 N 1.12 2.11 -0.06 5.38 4.12 -0.63 -0.67 117.35 128.71 2b5h s TYR 157 Ca -0.06 -0.78 -0.03 0.00 0.02 0.00 0.00 57.07 56.23 2b5h s TYR 157 Cb -0.14 -1.43 0.04 0.00 -1.52 0.00 0.00 41.96 38.90 2b5h s TYR 157 CO -0.02 -0.32 0.12 0.45 0.02 0.00 0.00 175.55 175.80 2b5h s SER 158 N 0.32 0.72 0.97 2.29 0.15 -0.76 -1.21 113.70 116.19 2b5h s SER 158 Ca -0.14 0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.62 2b5h s SER 158 Cb -0.16 0.11 0.17 0.00 -1.71 0.00 0.00 66.02 64.43 2b5h s SER 158 CO 0.06 -0.23 1.09 -2.84 1.20 0.00 0.00 173.24 172.52 2b5h s PRO 159 N 2.03 0.64 0.62 5.44 0.02 -1.26 -0.66 135.00 141.83 2b5h s PRO 159 Ca 0.01 0.68 -0.17 0.00 0.02 0.00 0.00 61.00 61.55 2b5h s PRO 159 Cb -0.12 -1.75 -0.02 0.00 0.02 0.00 0.00 34.50 32.63 2b5h s PRO 159 CO -0.05 -2.63 1.13 -2.14 -0.33 0.00 0.00 177.00 172.98 2b5h s PRO 160 N -4.90 2.97 -0.01 5.54 0.02 -1.25 -4.81 135.00 132.57 2b5h s PRO 160 Ca 0.65 1.52 -0.06 0.00 0.02 0.00 0.00 61.00 63.12 2b5h s PRO 160 Cb -0.19 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.37 2b5h s PRO 160 CO 0.58 -1.13 0.12 -0.59 -0.33 0.00 0.00 177.00 175.65 2b5h s PHE 161 N -2.07 0.01 -0.41 6.54 -0.12 -1.26 -5.03 117.98 115.64 2b5h s PHE 161 Ca 0.70 -0.03 0.15 0.00 -0.05 0.00 0.00 56.93 57.69 2b5h s PHE 161 Cb -0.23 -0.03 -0.19 0.00 -0.63 0.00 0.00 43.02 41.94 2b5h s PHE 161 CO 0.36 -0.22 0.50 -0.25 -0.05 0.00 0.00 175.22 175.55 2b5h n ASP 162 N 1.87 1.05 -4.09 1.98 8.00 -1.26 -4.99 116.55 119.12 2b5h n ASP 162 Ca -0.20 -0.49 -0.12 0.00 0.71 0.00 0.00 54.79 54.68 2b5h n ASP 162 Cb 0.56 1.28 -0.11 0.00 -0.02 0.00 0.00 41.12 42.84 2b5h n ASP 162 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2b5h s THR 163 N -2.65 0.55 0.11 -3.53 -4.23 -1.26 -0.75 115.64 103.88 2b5h s THR 163 Ca 0.01 -1.33 -0.05 0.00 -1.18 0.00 0.00 61.69 59.13 2b5h s THR 163 Cb 0.10 -0.92 0.02 0.00 1.34 0.00 0.00 72.50 73.04 2b5h s THR 163 CO 0.61 -0.54 0.27 0.00 -0.54 0.00 0.00 174.62 174.41 2b5h s HIS 165 N -6.41 2.60 -0.04 0.00 3.76 -1.26 -0.13 115.29 113.80 2b5h s HIS 165 Ca 0.06 -0.23 -0.00 0.00 -0.15 0.00 0.00 55.06 54.73 2b5h s HIS 165 Cb -0.01 -1.46 -0.03 0.00 1.11 0.00 0.00 32.58 32.18 2b5h s HIS 165 CO 0.03 0.29 0.00 0.00 -0.85 0.00 0.00 174.74 174.22 2b5h s ALA 166 N -0.97 3.29 -0.10 -1.40 0.00 0.21 -2.93 121.76 119.87 2b5h s ALA 166 Ca 0.16 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.26 2b5h s ALA 166 Cb -0.11 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 2b5h s ALA 166 CO 0.06 0.62 -0.14 -0.06 0.00 0.00 0.00 175.76 176.25 2b5h s PHE 167 N -0.99 2.77 -0.30 0.00 0.08 0.10 -1.10 117.98 118.54 2b5h s PHE 167 Ca 0.16 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.49 2b5h s PHE 167 Cb -0.11 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.60 2b5h s PHE 167 CO 0.06 -0.04 1.06 0.34 -0.10 0.00 0.00 175.22 176.54 2b5h s ASP 168 N -0.11 6.96 0.58 1.36 -1.08 0.12 -4.31 116.67 120.19 2b5h s ASP 168 Ca -0.02 1.11 0.28 0.00 -0.52 0.00 0.00 52.55 53.41 2b5h s ASP 168 Cb -0.14 -2.54 1.72 0.00 -1.46 0.00 0.00 42.92 40.50 2b5h s ASP 168 CO 0.04 -0.83 2.19 -0.61 0.52 0.00 0.00 175.17 176.47 2b5h h GLN 169 N 7.96 0.00 0.00 4.34 4.15 -1.93 0.49 115.11 130.11 2b5h h GLN 169 Ca -0.20 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.03 2b5h h GLN 169 Cb 1.06 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.72 2b5h h GLN 169 CO 1.02 0.00 -0.91 0.00 -1.93 0.00 0.00 178.83 177.01 2b5h h ARG 170 N 0.00 0.00 0.00 1.69 2.47 -1.90 0.23 114.38 116.86 2b5h h ARG 170 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2b5h h ARG 170 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2b5h h ARG 170 CO -0.00 0.91 -0.87 0.25 0.56 0.00 0.00 179.97 180.82 2b5h n THR 171 N -3.41 0.00 -0.35 2.04 -2.24 -0.83 -3.08 114.28 106.42 2b5h n THR 171 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2b5h n THR 171 Cb 0.88 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2b5h n THR 171 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b5h n GLY 172 N 2.40 0.90 3.77 3.38 0.00 0.16 -1.51 105.19 114.30 2b5h n GLY 172 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2b5h n GLY 172 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2b5h s HIS 173 N -2.81 3.17 0.18 1.61 5.04 -1.26 -4.65 115.29 116.57 2b5h s HIS 173 Ca 0.00 1.49 0.09 0.00 -1.54 0.00 0.00 55.06 55.10 2b5h s HIS 173 Cb 0.00 -3.57 -0.04 0.00 0.04 0.00 0.00 32.58 29.01 2b5h s HIS 173 CO 0.00 -1.53 -0.11 -1.59 -2.34 0.00 0.00 174.74 169.17 2b5h s LYS 174 N -1.75 2.00 0.02 2.88 -2.85 -1.26 -0.70 119.74 118.07 2b5h s LYS 174 Ca 0.48 -1.31 0.01 0.00 -1.00 0.00 0.00 55.97 54.16 2b5h s LYS 174 Cb -0.37 -2.12 -0.01 0.00 -2.06 0.00 0.00 37.83 33.26 2b5h s LYS 174 CO 0.49 0.43 -0.04 0.54 0.10 0.00 0.00 175.35 176.87 2b5h s ASN 175 N -2.83 0.38 0.14 0.03 4.22 -0.26 -4.96 114.94 111.66 2b5h s ASN 175 Ca 0.25 -0.33 -0.30 0.00 -2.14 0.00 0.00 52.86 50.34 2b5h s ASN 175 Cb -0.09 0.04 -0.07 0.00 1.28 0.00 0.00 41.25 42.41 2b5h s ASN 175 CO 0.15 -0.15 0.99 -0.75 -2.04 0.00 0.00 177.10 175.29 2b5h s LYS 176 N -0.92 4.70 0.02 3.55 2.20 -1.26 -0.61 119.74 127.41 2b5h s LYS 176 Ca -0.08 1.51 0.06 0.00 -0.36 0.00 0.00 55.97 57.10 2b5h s LYS 176 Cb -0.06 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 2b5h s LYS 176 CO -0.00 0.23 -0.16 0.08 -0.36 0.00 0.00 175.35 175.14 2b5h s VAL 177 N -0.23 1.31 -0.19 4.02 1.01 0.82 -4.92 120.40 122.22 2b5h s VAL 177 Ca 0.46 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2b5h s VAL 177 Cb -0.25 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 2b5h s VAL 177 CO 0.31 0.18 0.03 -0.89 0.00 0.00 0.00 175.10 174.73 2b5h s THR 178 N -0.67 4.40 0.29 3.92 2.01 -1.26 -1.66 115.64 122.67 2b5h s THR 178 Ca 0.05 -0.17 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 2b5h s THR 178 Cb -0.07 -2.99 -0.06 0.00 0.01 0.00 0.00 72.50 69.39 2b5h s THR 178 CO 0.01 0.44 0.59 -0.04 -0.69 0.00 0.00 174.62 174.93 2b5h s MET 179 N 0.67 3.72 0.14 4.92 -1.94 0.07 -5.01 119.30 121.87 2b5h s MET 179 Ca 0.02 0.19 0.06 0.00 -1.71 0.00 0.00 55.69 54.24 2b5h s MET 179 Cb -0.14 -2.60 -0.04 0.00 2.01 0.00 0.00 34.83 34.06 2b5h s MET 179 CO 0.02 0.21 -0.13 0.95 -0.01 0.00 0.00 175.02 176.06 2b5h s THR 180 N -2.03 1.32 -0.20 2.05 -4.23 -1.26 -4.90 115.64 106.38 2b5h s THR 180 Ca 0.46 -1.88 -0.11 0.00 -1.18 0.00 0.00 61.69 58.98 2b5h s THR 180 Cb -0.11 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 72.00 2b5h s THR 180 CO 0.27 -0.55 0.19 -0.36 -0.54 0.00 0.00 174.62 173.63 2b5h s PHE 181 N -2.63 3.39 0.19 3.99 0.08 -1.26 -4.62 117.98 117.12 2b5h s PHE 181 Ca 0.13 0.37 -0.04 0.00 0.12 0.00 0.00 56.93 57.50 2b5h s PHE 181 Cb -0.02 -2.25 0.11 0.00 -0.57 0.00 0.00 43.02 40.29 2b5h s PHE 181 CO 0.03 0.20 1.52 1.25 -0.10 0.00 0.00 175.22 178.12 2b5h h HIS 182 N 6.96 0.80 -3.59 0.36 -0.00 -0.86 -3.43 115.15 115.38 2b5h h HIS 182 Ca -0.40 -0.25 -0.07 0.00 -0.00 0.00 0.00 60.37 59.65 2b5h h HIS 182 Cb 1.16 -0.16 -0.13 0.00 -0.00 0.00 0.00 27.41 28.28 2b5h h HIS 182 CO 0.62 1.00 -0.20 -1.54 -0.00 0.00 0.00 177.93 177.81 2b5h s SER 183 N -6.88 -0.08 -0.05 3.26 1.04 -1.22 -1.34 113.70 108.43 2b5h s SER 183 Ca -0.08 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 55.81 2b5h s SER 183 Cb 0.12 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.70 2b5h s SER 183 CO 0.85 -0.84 0.03 -0.54 0.98 0.00 0.00 173.24 173.71 2b5h s LYS 184 N -3.85 0.23 -1.47 4.02 1.02 0.27 -1.24 119.74 118.72 2b5h s LYS 184 Ca 0.06 0.21 -0.07 0.00 0.02 0.00 0.00 55.97 56.19 2b5h s LYS 184 Cb 0.03 -0.63 0.03 0.00 -0.52 0.00 0.00 37.83 36.74 2b5h s LYS 184 CO -0.09 -0.26 0.71 1.19 -0.92 0.00 0.00 175.35 175.98 2b5h n PHE 185 N 4.88 -2.11 -0.50 3.18 3.72 0.02 -1.49 117.46 125.17 2b5h n PHE 185 Ca -0.12 0.62 0.00 0.00 -0.05 0.00 0.00 57.45 57.90 2b5h n PHE 185 Cb 0.50 -4.21 0.00 0.00 -0.94 0.00 0.00 39.48 34.83 2b5h n PHE 185 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b5h n GLY 186 N -1.54 1.11 3.55 1.37 0.00 -1.26 -5.04 105.19 103.38 2b5h n GLY 186 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2b5h n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b5h s ILE 187 N -3.15 4.39 0.25 -0.61 -1.09 -0.55 -4.93 121.20 115.50 2b5h s ILE 187 Ca 0.00 -0.17 -0.30 0.00 -2.23 0.00 0.00 60.65 57.95 2b5h s ILE 187 Cb 0.00 -2.98 -0.10 0.00 -1.58 0.00 0.00 42.46 37.80 2b5h s ILE 187 CO 0.00 0.45 1.49 -0.60 -1.23 0.00 0.00 174.94 175.05 2b5h s ARG 188 N 0.61 4.22 -0.54 2.79 6.06 -1.26 -0.56 118.95 130.27 2b5h s ARG 188 Ca 0.01 2.38 0.04 0.00 -2.50 0.00 0.00 55.73 55.66 2b5h s ARG 188 Cb -0.14 -3.09 0.15 0.00 0.06 0.00 0.00 34.95 31.94 2b5h s ARG 188 CO 0.02 -0.49 0.36 0.95 -2.50 0.00 0.00 175.30 173.63 2b5h s THR 189 N 0.10 1.90 -2.00 4.11 -4.23 -0.45 -4.86 115.64 110.21 2b5h s THR 189 Ca 0.61 -3.31 0.19 0.00 -1.18 0.00 0.00 61.69 58.00 2b5h s THR 189 Cb -0.44 -2.29 0.53 0.00 1.34 0.00 0.00 72.50 71.65 2b5h s THR 189 CO 0.43 -0.99 1.51 -0.81 -0.54 0.00 0.00 174.62 174.23