#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ijx s LYS 2 N 0.00 0.12 -0.03 3.17 2.20 -0.04 -1.09 119.74 124.08 2ijx s LYS 2 Ca 0.00 0.67 0.05 0.00 -0.36 0.00 0.00 55.97 56.33 2ijx s LYS 2 Cb 0.00 -0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.20 2ijx s LYS 2 CO 0.00 -0.28 -0.17 0.08 -0.36 0.00 0.00 175.35 174.62 2ijx s VAL 3 N 2.24 1.41 -0.10 4.02 1.01 0.02 0.10 120.40 129.10 2ijx s VAL 3 Ca 0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 2ijx s VAL 3 Cb -0.12 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.09 2ijx s VAL 3 CO -0.08 0.40 -0.07 -0.69 0.00 0.00 0.00 175.10 174.66 2ijx s VAL 4 N -0.20 0.95 -0.04 2.92 1.01 -0.30 -0.58 120.40 124.16 2ijx s VAL 4 Ca 0.02 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2ijx s VAL 4 Cb -0.09 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2ijx s VAL 4 CO 0.01 0.35 -0.19 -0.47 0.00 0.00 0.00 175.10 174.79 2ijx s TYR 5 N 1.53 2.55 -0.57 5.22 5.04 -0.52 -0.56 117.35 130.05 2ijx s TYR 5 Ca 0.01 -0.29 0.25 0.00 -2.44 0.00 0.00 57.07 54.61 2ijx s TYR 5 Cb -0.13 -1.58 0.89 0.00 0.35 0.00 0.00 41.96 41.49 2ijx s TYR 5 CO -0.06 0.08 1.75 0.38 -1.34 0.00 0.00 175.55 176.37 2ijx h ASP 6 N 5.43 0.00 -2.59 4.32 2.03 -1.86 -0.95 116.42 122.80 2ijx h ASP 6 Ca -0.45 0.00 -0.47 0.00 -0.73 0.00 0.00 57.03 55.38 2ijx h ASP 6 Cb 1.14 0.00 -0.38 0.00 -0.83 0.00 0.00 39.33 39.26 2ijx h ASP 6 CO 0.49 0.00 -0.74 -0.62 -1.03 0.00 0.00 179.24 177.34 2ijx s ASP 7 N -4.58 2.98 0.57 4.15 -1.08 -1.26 -3.87 116.67 113.59 2ijx s ASP 7 Ca 0.07 -1.16 0.26 0.00 -0.52 0.00 0.00 52.55 51.20 2ijx s ASP 7 Cb 0.10 -0.10 1.63 0.00 -1.46 0.00 0.00 42.92 43.09 2ijx s ASP 7 CO 0.52 -0.42 2.18 1.62 0.52 0.00 0.00 175.17 179.58 2ijx h VAL 8 N 6.32 0.64 0.00 1.11 3.04 -1.41 -2.09 116.25 123.85 2ijx h VAL 8 Ca -0.17 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.47 2ijx h VAL 8 Cb 1.03 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 2ijx h VAL 8 CO 0.40 0.00 -0.21 0.03 -1.01 0.00 0.00 177.57 176.78 2ijx h ARG 9 N 0.00 0.00 -0.14 4.17 3.08 -1.84 -1.08 114.38 118.57 2ijx h ARG 9 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2ijx h ARG 9 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2ijx h ARG 9 CO -0.00 0.21 0.04 0.28 -1.07 0.00 0.00 179.97 179.43 2ijx h VAL 10 N 0.00 1.19 -0.75 2.04 2.07 -1.78 -0.73 116.25 118.28 2ijx h VAL 10 Ca -0.00 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 2ijx h VAL 10 Cb 0.42 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2ijx h VAL 10 CO 0.03 0.17 0.28 -0.07 0.02 0.00 0.00 177.57 178.00 2ijx h LEU 11 N 0.04 1.05 -0.49 2.57 3.38 -1.58 -2.56 115.31 117.72 2ijx h LEU 11 Ca 0.05 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2ijx h LEU 11 Cb 0.23 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2ijx h LEU 11 CO -0.00 0.94 0.20 0.50 0.09 0.00 0.00 178.44 180.17 2ijx h LYS 12 N 1.10 0.38 -0.02 1.13 3.11 -1.03 -0.30 116.57 120.94 2ijx h LYS 12 Ca 0.25 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 58.04 2ijx h LYS 12 Cb 0.24 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.38 2ijx h LYS 12 CO -0.02 0.25 -0.11 -0.44 -2.81 0.00 0.00 179.45 176.32 2ijx h ASP 13 N 0.39 0.02 0.02 4.20 3.32 -0.75 0.14 116.42 123.76 2ijx h ASP 13 Ca 0.23 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 2ijx h ASP 13 Cb 0.21 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2ijx h ASP 13 CO -0.21 0.14 -0.01 0.40 -1.72 0.00 0.00 179.24 177.83 2ijx h ILE 14 N 0.02 1.50 -0.07 0.35 2.04 -1.09 -3.31 117.51 116.95 2ijx h ILE 14 Ca 0.00 -1.81 -0.07 0.00 1.00 0.00 0.00 64.86 63.98 2ijx h ILE 14 Cb 0.21 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 2ijx h ILE 14 CO 0.01 0.45 -0.29 0.40 0.00 0.00 0.00 178.15 178.72 2ijx h ILE 15 N -0.83 1.24 -0.81 -0.67 1.08 -0.92 -2.52 117.51 114.08 2ijx h ILE 15 Ca -0.00 -1.14 0.09 0.00 -0.39 0.00 0.00 64.86 63.41 2ijx h ILE 15 Cb 0.76 1.51 -0.05 0.00 -3.07 0.00 0.00 36.82 35.97 2ijx h ILE 15 CO 0.00 0.34 0.53 -0.61 -0.69 0.00 0.00 178.15 177.72 2ijx h GLN 16 N 0.12 0.77 -0.42 2.37 4.15 -0.82 0.16 115.11 121.44 2ijx h GLN 16 Ca 0.02 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2ijx h GLN 16 Cb 0.59 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 2ijx h GLN 16 CO 0.04 0.51 -0.07 0.00 -1.93 0.00 0.00 178.83 177.39 2ijx h ALA 17 N 1.58 1.09 -0.38 3.38 0.00 -1.53 -3.15 119.26 120.24 2ijx h ALA 17 Ca 0.36 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2ijx h ALA 17 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ijx h ALA 17 CO -0.14 0.57 -0.27 -0.07 0.00 0.00 0.00 179.25 179.34 2ijx h LEU 18 N 0.67 0.82 -1.18 0.00 4.07 -1.04 -3.36 115.31 115.29 2ijx h LEU 18 Ca 0.12 -0.32 0.06 0.00 0.08 0.00 0.00 57.88 57.83 2ijx h LEU 18 Cb 0.51 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 41.97 2ijx h LEU 18 CO 0.03 1.04 0.57 0.00 -1.08 0.00 0.00 178.44 179.00 2ijx h ALA 19 N 1.02 1.53 0.00 1.53 0.00 -1.00 0.18 119.26 122.52 2ijx h ALA 19 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ijx h ALA 19 Cb 0.80 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ijx h ALA 19 CO 0.07 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.66 2ijx h ARG 20 N 1.00 0.00 0.08 0.00 2.47 -1.71 -3.37 114.38 112.84 2ijx h ARG 20 Ca 0.38 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.73 2ijx h ARG 20 Cb 0.19 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 2ijx h ARG 20 CO -0.14 0.00 -2.10 1.28 0.56 0.00 0.00 179.97 179.57 2ijx n LEU 21 N -2.32 2.66 -3.96 3.04 4.77 0.57 -4.99 117.00 116.78 2ijx n LEU 21 Ca 0.04 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2ijx n LEU 21 Cb 0.36 -1.04 -0.10 0.00 -2.33 0.00 0.00 43.42 40.30 2ijx n LEU 21 CO 0.27 0.83 -0.29 0.68 -1.33 0.00 0.00 177.39 177.55 2ijx s VAL 22 N -2.53 0.12 0.14 4.08 -7.23 -0.86 -1.88 120.40 112.24 2ijx s VAL 22 Ca -0.27 -0.98 -0.07 0.00 -1.81 0.00 0.00 61.98 58.85 2ijx s VAL 22 Cb 0.07 -0.54 -0.12 0.00 0.56 0.00 0.00 36.38 36.35 2ijx s VAL 22 CO 0.70 -0.54 1.38 0.44 -0.31 0.00 0.00 175.10 176.77 2ijx h ASP 23 N 4.23 0.74 -5.04 4.85 3.32 -1.89 -3.43 116.42 119.20 2ijx h ASP 23 Ca -0.32 -0.47 -0.16 0.00 0.02 0.00 0.00 57.03 56.10 2ijx h ASP 23 Cb 1.19 -0.22 -0.20 0.00 0.22 0.00 0.00 39.33 40.33 2ijx h ASP 23 CO 0.45 1.23 -0.69 -1.61 -1.72 0.00 0.00 179.24 176.90 2ijx s GLU 24 N -3.76 0.38 0.31 3.56 2.02 -1.26 -1.87 118.70 118.08 2ijx s GLU 24 Ca -0.08 -0.75 -0.10 0.00 0.02 0.00 0.00 54.97 54.06 2ijx s GLU 24 Cb 0.10 0.13 0.01 0.00 0.10 0.00 0.00 34.13 34.47 2ijx s GLU 24 CO 0.87 -0.06 0.56 0.00 0.02 0.00 0.00 175.26 176.65 2ijx s ALA 25 N -2.01 -0.06 -0.08 5.21 0.00 -0.74 -4.93 121.76 119.15 2ijx s ALA 25 Ca -0.11 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.81 2ijx s ALA 25 Cb -0.06 1.00 0.03 0.00 0.00 0.00 0.00 23.12 24.08 2ijx s ALA 25 CO -0.03 -0.87 -0.03 0.08 0.00 0.00 0.00 175.76 174.90 2ijx s VAL 26 N -3.29 0.62 -0.24 0.00 1.01 -1.26 -1.34 120.40 115.89 2ijx s VAL 26 Ca 0.23 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 2ijx s VAL 26 Cb -0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 2ijx s VAL 26 CO 0.13 0.29 0.45 -0.76 0.00 0.00 0.00 175.10 175.21 2ijx s LEU 27 N 1.62 4.08 -0.41 3.92 1.43 -0.06 -4.44 118.68 124.82 2ijx s LEU 27 Ca 0.01 0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 2ijx s LEU 27 Cb -0.13 -2.57 0.05 0.00 0.03 0.00 0.00 46.19 43.58 2ijx s LEU 27 CO -0.05 -0.20 0.27 -0.75 0.23 0.00 0.00 176.35 175.85 2ijx s LYS 28 N 1.96 2.79 -0.30 1.70 2.20 -0.05 -0.47 119.74 127.57 2ijx s LYS 28 Ca 0.19 -1.27 -0.24 0.00 -0.36 0.00 0.00 55.97 54.29 2ijx s LYS 28 Cb -0.15 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 2ijx s LYS 28 CO 0.09 -0.86 0.84 -0.06 -0.36 0.00 0.00 175.35 175.00 2ijx s PHE 29 N 1.53 3.22 0.50 4.03 0.08 0.16 -0.88 117.98 126.62 2ijx s PHE 29 Ca 0.03 0.93 0.06 0.00 0.12 0.00 0.00 56.93 58.07 2ijx s PHE 29 Cb -0.22 -3.26 0.01 0.00 -0.57 0.00 0.00 43.02 38.99 2ijx s PHE 29 CO 0.05 -0.56 0.31 0.15 -0.10 0.00 0.00 175.22 175.07 2ijx s LYS 30 N 3.04 2.27 0.36 0.44 1.02 0.45 -0.99 119.74 126.33 2ijx s LYS 30 Ca 0.35 -1.98 0.07 0.00 0.02 0.00 0.00 55.97 54.43 2ijx s LYS 30 Cb -0.14 -2.04 0.76 0.00 -0.52 0.00 0.00 37.83 35.89 2ijx s LYS 30 CO 0.12 -0.44 1.93 1.96 -0.92 0.00 0.00 175.35 177.99 2ijx h GLN 31 N 0.98 0.72 0.00 1.68 4.20 -1.87 -3.16 115.11 117.67 2ijx h GLN 31 Ca -0.39 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2ijx h GLN 31 Cb 1.29 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2ijx h GLN 31 CO 0.62 0.48 -0.87 -3.47 -0.67 0.00 0.00 178.83 174.91 2ijx n ASP 32 N -4.50 1.22 -3.62 1.46 -0.08 -1.26 -4.91 116.55 104.85 2ijx n ASP 32 Ca 0.13 -0.48 -0.02 0.00 -1.51 0.00 0.00 54.79 52.91 2ijx n ASP 32 Cb 0.31 1.18 -0.01 0.00 2.34 0.00 0.00 41.12 44.94 2ijx n ASP 32 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2ijx s SER 33 N -2.48 -0.13 -0.15 1.67 1.04 -1.19 -0.74 113.70 111.72 2ijx s SER 33 Ca 0.01 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.28 2ijx s SER 33 Cb 0.08 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 2ijx s SER 33 CO 0.45 -0.39 0.00 -0.69 0.98 0.00 0.00 173.24 173.59 2ijx s VAL 34 N -2.61 4.27 0.05 5.02 1.01 0.36 -0.41 120.40 128.08 2ijx s VAL 34 Ca 0.12 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.95 2ijx s VAL 34 Cb 0.02 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2ijx s VAL 34 CO -0.04 0.51 -0.25 -0.70 0.00 0.00 0.00 175.10 174.62 2ijx s GLU 35 N 0.10 1.67 -0.02 2.72 2.12 -0.06 -0.80 118.70 124.44 2ijx s GLU 35 Ca 0.02 -1.07 -0.00 0.00 0.36 0.00 0.00 54.97 54.27 2ijx s GLU 35 Cb -0.13 -1.85 0.02 0.00 0.26 0.00 0.00 34.13 32.43 2ijx s GLU 35 CO 0.02 0.47 0.03 -1.17 -0.54 0.00 0.00 175.26 174.07 2ijx s LEU 36 N -1.25 1.39 -0.06 2.70 0.20 -0.07 -0.87 118.68 120.71 2ijx s LEU 36 Ca 0.11 0.05 0.02 0.00 0.69 0.00 0.00 54.13 54.99 2ijx s LEU 36 Cb -0.10 -0.01 0.02 0.00 -0.43 0.00 0.00 46.19 45.67 2ijx s LEU 36 CO 0.02 -0.08 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.21 2ijx s VAL 37 N 0.67 0.95 -0.04 1.68 1.01 -1.26 -0.45 120.40 122.97 2ijx s VAL 37 Ca -0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 2ijx s VAL 37 Cb -0.08 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.43 2ijx s VAL 37 CO -0.02 0.31 0.09 0.00 0.00 0.00 0.00 175.10 175.49 2ijx s ALA 38 N 0.72 -0.19 -0.12 5.51 0.00 -0.38 -4.62 121.76 122.68 2ijx s ALA 38 Ca -0.14 0.37 -0.09 0.00 0.00 0.00 0.00 51.96 52.10 2ijx s ALA 38 Cb -0.15 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 2ijx s ALA 38 CO 0.03 -0.08 0.19 -0.51 0.00 0.00 0.00 175.76 175.39 2ijx s LEU 39 N 0.50 4.35 0.96 0.00 1.43 -1.26 -0.88 118.68 123.78 2ijx s LEU 39 Ca -0.04 0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 2ijx s LEU 39 Cb -0.05 -2.18 0.17 0.00 0.03 0.00 0.00 46.19 44.15 2ijx s LEU 39 CO -0.02 0.32 1.09 1.51 0.23 0.00 0.00 176.35 179.47 2ijx s ASP 40 N -0.59 2.85 0.54 2.29 -4.77 -0.05 -4.82 116.67 112.12 2ijx s ASP 40 Ca 0.15 1.56 0.22 0.00 -3.30 0.00 0.00 52.55 51.18 2ijx s ASP 40 Cb -0.13 -2.22 1.43 0.00 -1.09 0.00 0.00 42.92 40.92 2ijx s ASP 40 CO 0.04 -3.04 2.10 0.08 0.70 0.00 0.00 175.17 175.05 2ijx h ARG 41 N -1.83 0.00 -0.02 2.11 0.11 -1.73 0.72 114.38 113.75 2ijx h ARG 41 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2ijx h ARG 41 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 2ijx h ARG 41 CO 0.52 0.00 -0.00 0.00 0.10 0.00 0.00 179.97 180.59 2ijx n ALA 42 N -2.51 2.55 -2.43 0.08 0.00 -1.26 -4.95 120.51 111.99 2ijx n ALA 42 Ca 0.02 -0.51 -0.20 0.00 0.00 0.00 0.00 53.44 52.75 2ijx n ALA 42 Cb 0.29 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 2ijx n ALA 42 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2ijx n HIS 43 N 0.48 -1.02 0.05 0.00 8.25 0.24 -4.89 115.22 118.33 2ijx n HIS 43 Ca 0.18 0.05 0.09 0.00 -0.26 0.00 0.00 57.72 57.77 2ijx n HIS 43 Cb 0.42 -3.85 -0.07 0.00 1.12 0.00 0.00 29.99 27.60 2ijx n HIS 43 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2ijx n ILE 44 N -4.06 0.54 -3.90 1.59 5.41 -1.26 -4.95 119.36 112.72 2ijx n ILE 44 Ca -0.22 -0.57 -0.08 0.00 1.00 0.00 0.00 62.75 62.88 2ijx n ILE 44 Cb 0.67 -0.29 -0.08 0.00 -0.71 0.00 0.00 39.64 39.23 2ijx n ILE 44 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2ijx s SER 45 N -5.16 0.19 -0.04 4.38 1.04 -1.26 -1.49 113.70 111.36 2ijx s SER 45 Ca -0.04 -0.73 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 2ijx s SER 45 Cb 0.11 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.57 2ijx s SER 45 CO 0.83 -0.71 0.10 -0.22 0.98 0.00 0.00 173.24 174.22 2ijx s LEU 46 N -2.88 1.10 -0.02 2.42 2.96 -0.77 -0.87 118.68 120.62 2ijx s LEU 46 Ca 0.06 0.20 0.07 0.00 -0.22 0.00 0.00 54.13 54.23 2ijx s LEU 46 Cb 0.05 0.24 -0.02 0.00 0.50 0.00 0.00 46.19 46.96 2ijx s LEU 46 CO -0.10 -0.11 -0.22 -0.51 -1.32 0.00 0.00 176.35 174.09 2ijx s ILE 47 N 0.80 2.43 -0.05 6.68 2.07 -0.06 -1.18 121.20 131.90 2ijx s ILE 47 Ca -0.06 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.18 2ijx s ILE 47 Cb -0.08 -1.89 0.02 0.00 0.13 0.00 0.00 42.46 40.63 2ijx s ILE 47 CO -0.03 0.56 -0.03 -0.55 -1.91 0.00 0.00 174.94 172.98 2ijx s SER 48 N -0.72 0.97 -0.04 4.50 0.15 -0.49 -1.25 113.70 116.82 2ijx s SER 48 Ca 0.11 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.69 2ijx s SER 48 Cb -0.10 -0.41 -0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2ijx s SER 48 CO -0.00 -0.09 -0.15 -0.69 1.20 0.00 0.00 173.24 173.51 2ijx s VAL 49 N 1.14 1.31 -0.11 4.45 1.01 0.41 -1.49 120.40 127.12 2ijx s VAL 49 Ca -0.08 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 2ijx s VAL 49 Cb -0.14 -1.14 0.04 0.00 0.00 0.00 0.00 36.38 35.15 2ijx s VAL 49 CO -0.01 0.38 0.06 0.20 0.00 0.00 0.00 175.10 175.73 2ijx s ASN 50 N 0.13 1.84 -0.26 3.32 0.01 -0.21 -0.89 114.94 118.88 2ijx s ASN 50 Ca -0.05 -0.29 0.03 0.00 -0.71 0.00 0.00 52.86 51.83 2ijx s ASN 50 Cb -0.12 -0.28 0.06 0.00 0.41 0.00 0.00 41.25 41.32 2ijx s ASN 50 CO 0.02 -0.28 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.47 2ijx s LEU 51 N 2.09 3.43 0.46 0.60 1.43 0.02 -0.43 118.68 126.28 2ijx s LEU 51 Ca 0.03 -1.36 -0.24 0.00 -1.03 0.00 0.00 54.13 51.54 2ijx s LEU 51 Cb -0.14 -1.56 -0.07 0.00 0.03 0.00 0.00 46.19 44.45 2ijx s LEU 51 CO -0.06 -0.19 1.24 -2.16 0.23 0.00 0.00 176.35 175.42 2ijx s PRO 52 N 1.12 3.68 0.59 1.29 0.04 -1.26 -0.49 135.00 139.96 2ijx s PRO 52 Ca -0.08 1.98 0.28 0.00 0.04 0.00 0.00 61.00 63.22 2ijx s PRO 52 Cb -0.20 -2.47 1.62 0.00 0.04 0.00 0.00 34.50 33.49 2ijx s PRO 52 CO -0.05 -0.68 2.08 0.07 0.04 0.00 0.00 177.00 178.46 2ijx h ARG 53 N 2.10 0.00 0.00 4.56 0.11 -1.29 -2.04 114.38 117.81 2ijx h ARG 53 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2ijx h ARG 53 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 2ijx h ARG 53 CO 0.60 0.00 0.00 0.93 0.10 0.00 0.00 179.97 181.60 2ijx h GLU 54 N 0.00 0.00 0.00 0.08 3.07 -1.90 -2.02 114.58 113.81 2ijx h GLU 54 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 2ijx h GLU 54 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 2ijx h GLU 54 CO -0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 2ijx n MET 55 N -3.08 0.20 -3.93 2.33 0.00 -0.77 -4.86 117.12 107.03 2ijx n MET 55 Ca -0.01 0.01 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 2ijx n MET 55 Cb 0.21 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.87 2ijx n MET 55 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2ijx s PHE 56 N -2.79 3.55 0.20 3.17 0.40 -0.76 -4.77 117.98 116.98 2ijx s PHE 56 Ca 0.21 0.46 -0.08 0.00 -0.60 0.00 0.00 56.93 56.91 2ijx s PHE 56 Cb 0.19 -1.90 0.13 0.00 0.51 0.00 0.00 43.02 41.95 2ijx s PHE 56 CO 0.48 0.70 1.73 0.87 0.70 0.00 0.00 175.22 179.70 2ijx h LYS 57 N 4.71 1.15 -4.25 0.44 1.57 -1.14 -3.43 116.57 115.63 2ijx h LYS 57 Ca -0.53 -0.26 -0.33 0.00 -1.87 0.00 0.00 60.65 57.66 2ijx h LYS 57 Cb 1.22 -0.16 -0.29 0.00 0.08 0.00 0.00 32.23 33.08 2ijx h LYS 57 CO 0.60 0.99 -0.75 -1.21 -0.57 0.00 0.00 179.45 178.51 2ijx s GLU 58 N -5.37 0.43 -0.31 3.15 2.02 -1.10 -4.97 118.70 112.54 2ijx s GLU 58 Ca -0.12 -0.16 0.01 0.00 0.02 0.00 0.00 54.97 54.71 2ijx s GLU 58 Cb 0.15 -0.43 0.15 0.00 0.10 0.00 0.00 34.13 34.10 2ijx s GLU 58 CO 0.85 0.09 0.34 -0.47 0.02 0.00 0.00 175.26 176.08 2ijx s TYR 59 N -0.00 -0.53 -0.66 1.61 5.04 -1.26 -1.15 117.35 120.40 2ijx s TYR 59 Ca 0.01 -0.25 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 2ijx s TYR 59 Cb -0.03 -0.39 0.17 0.00 0.35 0.00 0.00 41.96 42.05 2ijx s TYR 59 CO -0.00 -0.95 0.47 -0.51 -1.34 0.00 0.00 175.55 173.21 2ijx s ASP 60 N 2.15 5.05 -0.00 4.32 1.01 0.12 -5.02 116.67 124.30 2ijx s ASP 60 Ca 0.11 -3.25 0.03 0.00 0.71 0.00 0.00 52.55 50.15 2ijx s ASP 60 Cb -0.14 -1.77 -0.01 0.00 1.01 0.00 0.00 42.92 42.02 2ijx s ASP 60 CO -0.25 -0.24 -0.08 -0.69 0.21 0.00 0.00 175.17 174.12 2ijx s VAL 61 N -0.64 0.66 0.00 -1.27 1.01 -1.26 -0.86 120.40 118.04 2ijx s VAL 61 Ca 0.20 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2ijx s VAL 61 Cb -0.16 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.65 2ijx s VAL 61 CO -0.07 0.14 0.00 -3.20 0.00 0.00 0.00 175.10 171.98 2ijx n ASN 62 N 2.76 0.00 0.00 3.32 4.05 -1.26 -4.78 115.26 119.34 2ijx n ASN 62 Ca -0.14 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.89 2ijx n ASN 62 Cb 0.57 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.58 2ijx n ASN 62 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 2ijx n ASP 63 N 0.00 0.00 -4.74 1.20 5.68 -1.26 -5.02 116.55 112.41 2ijx n ASP 63 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.88 2ijx n ASP 63 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 2ijx n ASP 63 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2ijx s GLU 64 N 2.65 4.61 -0.13 0.11 2.02 -1.26 -4.80 118.70 121.90 2ijx s GLU 64 Ca 0.00 1.71 0.01 0.00 0.02 0.00 0.00 54.97 56.71 2ijx s GLU 64 Cb 0.00 -3.27 0.02 0.00 0.10 0.00 0.00 34.13 30.98 2ijx s GLU 64 CO 0.00 0.12 -0.14 0.12 0.02 0.00 0.00 175.26 175.38 2ijx s PHE 65 N -0.40 1.99 -0.36 1.61 5.36 -0.16 -5.00 117.98 121.02 2ijx s PHE 65 Ca 0.48 -1.03 -0.13 0.00 -0.96 0.00 0.00 56.93 55.29 2ijx s PHE 65 Cb -0.29 -1.47 -0.00 0.00 -0.34 0.00 0.00 43.02 40.91 2ijx s PHE 65 CO 0.35 -0.57 0.24 0.15 -1.46 0.00 0.00 175.22 173.93 2ijx s LYS 66 N 1.33 3.27 -0.45 10.12 1.02 -1.26 -0.67 119.74 133.10 2ijx s LYS 66 Ca 0.01 -0.80 -0.16 0.00 0.02 0.00 0.00 55.97 55.04 2ijx s LYS 66 Cb -0.14 -3.81 0.05 0.00 -0.52 0.00 0.00 37.83 33.42 2ijx s LYS 66 CO -0.07 -0.55 0.39 0.12 -0.92 0.00 0.00 175.35 174.32 2ijx s PHE 67 N 1.68 3.22 -0.15 3.18 5.36 0.38 -4.94 117.98 126.71 2ijx s PHE 67 Ca 0.05 -0.75 -0.08 0.00 -0.96 0.00 0.00 56.93 55.19 2ijx s PHE 67 Cb -0.18 -3.00 -0.04 0.00 -0.34 0.00 0.00 43.02 39.46 2ijx s PHE 67 CO 0.09 -0.74 0.11 0.20 -1.46 0.00 0.00 175.22 173.42 2ijx s GLY 68 N 2.27 2.06 0.08 13.12 0.00 -1.24 -0.88 107.32 122.72 2ijx s GLY 68 Ca 0.06 -0.68 -0.07 0.00 0.00 0.00 0.00 44.72 44.02 2ijx s GLY 68 CO 0.09 -0.18 0.15 -0.11 0.00 0.00 0.00 173.10 173.05 2ijx s PHE 69 N -0.40 0.20 -0.18 1.90 -0.12 -0.45 -1.49 117.98 117.44 2ijx s PHE 69 Ca 0.11 -0.62 -0.28 0.00 -0.05 0.00 0.00 56.93 56.09 2ijx s PHE 69 Cb -0.12 -0.11 -0.00 0.00 -0.63 0.00 0.00 43.02 42.16 2ijx s PHE 69 CO 0.01 -0.50 0.98 1.21 -0.05 0.00 0.00 175.22 176.87 2ijx s ASN 70 N -2.76 7.09 0.28 1.98 3.84 -1.26 -1.79 114.94 122.32 2ijx s ASN 70 Ca 0.04 1.36 -0.01 0.00 0.21 0.00 0.00 52.86 54.46 2ijx s ASN 70 Cb 0.04 -2.52 0.40 0.00 -0.55 0.00 0.00 41.25 38.62 2ijx s ASN 70 CO -0.10 -0.55 1.80 0.71 -2.79 0.00 0.00 177.10 176.18 2ijx h THR 71 N 5.30 1.23 -0.42 -5.21 1.35 -1.65 -0.67 112.91 112.85 2ijx h THR 71 Ca -0.25 -0.90 -0.03 0.00 -0.55 0.00 0.00 66.41 64.68 2ijx h THR 71 Cb 1.10 0.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 2ijx h THR 71 CO 0.91 0.32 0.13 1.56 -0.25 0.00 0.00 175.52 178.19 2ijx h GLN 72 N 0.73 0.65 -0.32 4.72 1.08 -1.89 -0.82 115.11 119.27 2ijx h GLN 72 Ca 0.15 -0.14 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 2ijx h GLN 72 Cb 0.37 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2ijx h GLN 72 CO 0.01 0.64 -0.13 -0.92 -0.95 0.00 0.00 178.83 177.49 2ijx h TYR 73 N 0.53 0.73 -0.73 2.96 3.20 -1.83 -1.80 116.97 120.03 2ijx h TYR 73 Ca 0.13 -0.17 0.02 0.00 3.14 0.00 0.00 58.73 61.84 2ijx h TYR 73 Cb 0.27 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 2ijx h TYR 73 CO 0.01 0.85 0.48 1.25 -1.64 0.00 0.00 178.16 179.11 2ijx h LEU 74 N 0.41 0.82 -1.10 2.82 5.85 -1.04 -0.26 115.31 122.82 2ijx h LEU 74 Ca 0.07 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2ijx h LEU 74 Cb 0.64 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2ijx h LEU 74 CO 0.04 0.58 0.53 0.24 -0.34 0.00 0.00 178.44 179.49 2ijx h MET 75 N 0.96 1.14 -0.30 1.25 2.86 -0.87 -0.59 114.93 119.38 2ijx h MET 75 Ca 0.27 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.86 2ijx h MET 75 Cb -0.06 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 31.31 2ijx h MET 75 CO -0.07 0.79 0.08 -0.22 1.06 0.00 0.00 176.91 178.55 2ijx h LYS 76 N 1.16 0.20 -0.40 1.72 3.64 -0.19 0.67 116.57 123.37 2ijx h LYS 76 Ca 0.31 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2ijx h LYS 76 Cb -0.07 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2ijx h LYS 76 CO -0.06 0.13 0.23 0.82 -2.27 0.00 0.00 179.45 178.30 2ijx h ILE 77 N 0.20 1.14 0.00 2.00 2.04 -0.90 -2.80 117.51 119.19 2ijx h ILE 77 Ca 0.14 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2ijx h ILE 77 Cb 0.12 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2ijx h ILE 77 CO -0.16 0.15 0.00 -0.07 0.00 0.00 0.00 178.15 178.07 2ijx h LEU 78 N 0.51 0.00 0.00 1.44 3.38 -0.75 -3.13 115.31 116.77 2ijx h LEU 78 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2ijx h LEU 78 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2ijx h LEU 78 CO -0.02 0.00 -0.20 0.29 0.09 0.00 0.00 178.44 178.60 2ijx n LYS 79 N -2.99 0.13 -0.21 1.13 5.02 0.19 -4.39 118.16 117.05 2ijx n LYS 79 Ca 0.03 0.08 -0.07 0.00 -2.02 0.00 0.00 58.31 56.34 2ijx n LYS 79 Cb 0.45 -1.63 0.03 0.00 -0.02 0.00 0.00 35.03 33.86 2ijx n LYS 79 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 2ijx h VAL 80 N 0.00 1.18 -3.28 -0.18 -1.51 -1.47 -3.40 116.25 107.59 2ijx h VAL 80 Ca 0.00 -0.40 -0.59 0.00 -1.23 0.00 0.00 66.70 64.48 2ijx h VAL 80 Cb 0.62 0.38 -0.08 0.00 -2.13 0.00 0.00 31.29 30.08 2ijx h VAL 80 CO 0.00 0.18 0.46 0.00 -1.23 0.00 0.00 177.57 176.98 2ijx s ALA 81 N -5.97 3.62 -0.38 5.19 0.00 -1.26 -4.93 121.76 118.02 2ijx s ALA 81 Ca -0.13 -0.08 0.23 0.00 0.00 0.00 0.00 51.96 51.98 2ijx s ALA 81 Cb 0.13 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2ijx s ALA 81 CO 0.76 -0.86 0.92 1.63 0.00 0.00 0.00 175.76 178.22 2ijx n LYS 82 N 5.81 0.46 -3.57 0.00 4.76 -1.26 -4.84 118.16 119.51 2ijx n LYS 82 Ca 0.05 -0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.26 2ijx n LYS 82 Cb 0.48 -1.65 -0.00 0.00 -1.84 0.00 0.00 35.03 32.02 2ijx n LYS 82 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2ijx s ARG 83 N -3.31 2.39 -0.04 1.97 0.52 -1.26 -5.07 118.95 114.15 2ijx s ARG 83 Ca 0.00 -1.73 -0.30 0.00 -0.52 0.00 0.00 55.73 53.18 2ijx s ARG 83 Cb 0.13 -2.33 -0.06 0.00 0.52 0.00 0.00 34.95 33.21 2ijx s ARG 83 CO 0.82 -0.48 1.72 0.21 0.02 0.00 0.00 175.30 177.59 2ijx s LYS 84 N -4.29 4.15 -0.05 3.54 2.20 -1.26 -4.85 119.74 119.16 2ijx s LYS 84 Ca 0.46 2.25 -0.10 0.00 -0.36 0.00 0.00 55.97 58.22 2ijx s LYS 84 Cb -0.03 -4.03 0.02 0.00 -1.51 0.00 0.00 37.83 32.28 2ijx s LYS 84 CO 0.28 -0.90 0.24 -1.21 -0.36 0.00 0.00 175.35 173.40 2ijx s GLU 85 N 4.17 0.42 0.63 4.03 2.02 -1.26 -4.97 118.70 123.75 2ijx s GLU 85 Ca 0.77 0.06 -0.14 0.00 0.02 0.00 0.00 54.97 55.67 2ijx s GLU 85 Cb -0.35 0.19 -0.02 0.00 0.10 0.00 0.00 34.13 34.05 2ijx s GLU 85 CO 0.32 -0.09 1.06 0.00 0.02 0.00 0.00 175.26 176.57 2ijx s ALA 86 N -0.54 2.70 -0.06 5.21 0.00 -0.78 -1.24 121.76 127.05 2ijx s ALA 86 Ca -0.06 0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.24 2ijx s ALA 86 Cb -0.04 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2ijx s ALA 86 CO 0.02 -0.97 -0.18 -1.50 0.00 0.00 0.00 175.76 173.13 2ijx s ILE 87 N -2.64 1.52 -0.12 0.00 2.07 -0.36 -1.19 121.20 120.48 2ijx s ILE 87 Ca 0.62 -0.73 -0.01 0.00 -1.41 0.00 0.00 60.65 59.11 2ijx s ILE 87 Cb -0.16 -1.32 -0.03 0.00 0.13 0.00 0.00 42.46 41.09 2ijx s ILE 87 CO 0.43 0.44 -0.07 -0.70 -1.91 0.00 0.00 174.94 173.13 2ijx s GLU 88 N 0.27 3.31 -0.14 3.50 2.12 0.07 -1.44 118.70 126.40 2ijx s GLU 88 Ca -0.10 -0.56 0.02 0.00 0.36 0.00 0.00 54.97 54.68 2ijx s GLU 88 Cb -0.14 -2.75 0.01 0.00 0.26 0.00 0.00 34.13 31.51 2ijx s GLU 88 CO 0.04 0.37 -0.20 0.42 -0.54 0.00 0.00 175.26 175.36 2ijx s ILE 89 N -0.02 2.25 0.04 -3.70 1.01 0.26 -1.03 121.20 120.00 2ijx s ILE 89 Ca -0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 2ijx s ILE 89 Cb -0.13 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 2ijx s ILE 89 CO 0.03 0.54 -0.02 0.00 0.00 0.00 0.00 174.94 175.49 2ijx s ALA 90 N 0.80 0.27 -0.16 9.38 0.00 -0.21 -0.80 121.76 131.04 2ijx s ALA 90 Ca -0.07 -0.86 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 2ijx s ALA 90 Cb -0.16 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.23 2ijx s ALA 90 CO -0.01 -0.27 0.39 0.45 0.00 0.00 0.00 175.76 176.32 2ijx s SER 91 N -2.19 -0.46 0.00 0.00 0.15 -0.25 -0.55 113.70 110.40 2ijx s SER 91 Ca -0.04 0.82 0.11 0.00 0.70 0.00 0.00 55.95 57.54 2ijx s SER 91 Cb -0.01 0.75 -0.11 0.00 -1.71 0.00 0.00 66.02 64.94 2ijx s SER 91 CO -0.05 -0.17 0.47 -0.62 1.20 0.00 0.00 173.24 174.07 2ijx n GLU 92 N 3.79 3.34 -4.17 5.44 -0.58 -1.26 -0.60 120.64 126.60 2ijx n GLU 92 Ca -0.20 -0.03 -0.16 0.00 -0.42 0.00 0.00 57.16 56.35 2ijx n GLU 92 Cb 0.56 -1.02 -0.14 0.00 -0.57 0.00 0.00 31.44 30.26 2ijx n GLU 92 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2ijx s SER 93 N -2.01 0.67 0.58 1.62 0.15 -1.26 -5.01 113.70 108.44 2ijx s SER 93 Ca 0.04 -0.12 0.28 0.00 0.70 0.00 0.00 55.95 56.85 2ijx s SER 93 Cb 0.08 -0.07 1.74 0.00 -1.71 0.00 0.00 66.02 66.07 2ijx s SER 93 CO 0.44 0.06 2.24 -0.65 1.20 0.00 0.00 173.24 176.53 2ijx h PRO 94 N 5.93 0.00 -0.01 5.44 0.11 -2.02 -2.56 132.00 138.89 2ijx h PRO 94 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2ijx h PRO 94 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ijx h PRO 94 CO 0.50 0.00 -0.13 -0.25 -0.21 0.00 0.00 178.00 177.91 2ijx n ASP 95 N -3.95 0.74 -3.96 -2.05 9.92 -1.26 -4.69 116.55 111.30 2ijx n ASP 95 Ca -0.03 -0.81 -0.13 0.00 -0.53 0.00 0.00 54.79 53.29 2ijx n ASP 95 Cb 0.08 -0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.43 2ijx n ASP 95 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2ijx s SER 96 N -2.39 0.44 0.02 -2.24 1.04 -0.97 -0.87 113.70 108.74 2ijx s SER 96 Ca 0.30 -0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.54 2ijx s SER 96 Cb 0.20 0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 2ijx s SER 96 CO 0.46 -0.08 -0.16 -0.69 0.98 0.00 0.00 173.24 173.75 2ijx s VAL 97 N -0.62 1.30 -0.12 5.02 1.01 -0.43 -4.42 120.40 122.14 2ijx s VAL 97 Ca -0.05 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2ijx s VAL 97 Cb -0.05 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 2ijx s VAL 97 CO -0.00 0.17 -0.20 -0.63 0.00 0.00 0.00 175.10 174.44 2ijx s ILE 98 N -0.67 2.35 -0.15 2.22 1.01 0.28 -1.36 121.20 124.88 2ijx s ILE 98 Ca 0.05 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.81 2ijx s ILE 98 Cb -0.07 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.47 2ijx s ILE 98 CO 0.01 0.55 -0.20 -0.63 0.00 0.00 0.00 174.94 174.66 2ijx s ILE 99 N 0.45 2.19 -0.12 2.92 1.01 -0.25 -1.05 121.20 126.36 2ijx s ILE 99 Ca -0.14 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.58 2ijx s ILE 99 Cb -0.17 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 2ijx s ILE 99 CO 0.06 0.54 -0.11 0.20 0.00 0.00 0.00 174.94 175.63 2ijx s ASN 100 N 0.88 4.21 -0.30 3.58 0.01 -0.20 -0.06 114.94 123.06 2ijx s ASN 100 Ca -0.05 -0.24 -0.11 0.00 -0.71 0.00 0.00 52.86 51.75 2ijx s ASN 100 Cb -0.15 -1.48 -0.03 0.00 0.41 0.00 0.00 41.25 40.00 2ijx s ASN 100 CO -0.03 0.21 0.18 -0.63 -1.51 0.00 0.00 177.10 175.33 2ijx s ILE 101 N 0.07 5.01 -0.24 0.60 -1.09 0.00 -0.75 121.20 124.80 2ijx s ILE 101 Ca -0.04 -0.13 -0.05 0.00 -2.23 0.00 0.00 60.65 58.19 2ijx s ILE 101 Cb -0.14 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 2ijx s ILE 101 CO 0.04 0.14 0.01 -0.63 -1.23 0.00 0.00 174.94 173.27 2ijx s ILE 102 N 1.70 3.75 -5.00 2.92 1.01 -0.33 -2.20 121.20 123.04 2ijx s ILE 102 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2ijx s ILE 102 Cb -0.17 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.55 2ijx s ILE 102 CO 0.09 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2ijx n GLY 103 N 4.85 0.36 0.31 6.18 0.00 -1.26 -1.87 105.19 113.76 2ijx n GLY 103 Ca -0.17 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.37 2ijx n GLY 103 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ijx h SER 104 N 0.00 0.24 0.28 1.61 0.87 -1.93 -1.95 113.55 112.68 2ijx h SER 104 Ca 0.00 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2ijx h SER 104 Cb 0.00 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2ijx h SER 104 CO 0.00 0.17 -0.11 0.71 -0.53 0.00 0.00 176.83 177.07 2ijx h THR 105 N 0.28 0.63 -5.18 2.23 1.35 -1.92 -3.47 112.91 106.83 2ijx h THR 105 Ca 0.14 -0.46 -0.24 0.00 -0.55 0.00 0.00 66.41 65.30 2ijx h THR 105 Cb 0.21 1.29 0.01 0.00 -1.73 0.00 0.00 68.15 67.92 2ijx h THR 105 CO -0.03 0.11 -0.64 0.59 -0.25 0.00 0.00 175.52 175.30 2ijx n ASN 106 N -3.77 -2.78 -4.32 5.36 4.13 -0.73 -4.96 115.26 108.19 2ijx n ASN 106 Ca -0.02 -0.30 -0.32 0.00 1.68 0.00 0.00 54.58 55.62 2ijx n ASN 106 Cb 0.21 -0.86 -0.16 0.00 -1.54 0.00 0.00 39.78 37.44 2ijx n ASN 106 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2ijx s ARG 107 N -2.41 2.63 -0.06 3.52 1.81 -0.94 -5.01 118.95 118.49 2ijx s ARG 107 Ca 0.11 -0.85 0.06 0.00 -1.72 0.00 0.00 55.73 53.33 2ijx s ARG 107 Cb -0.01 -2.25 -0.01 0.00 -0.45 0.00 0.00 34.95 32.23 2ijx s ARG 107 CO 0.48 0.41 -0.23 -2.00 -0.68 0.00 0.00 175.30 173.27 2ijx s GLU 108 N -0.21 2.43 -0.12 3.54 2.12 -1.26 -0.82 118.70 124.38 2ijx s GLU 108 Ca -0.02 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.49 2ijx s GLU 108 Cb -0.13 -2.05 0.02 0.00 0.26 0.00 0.00 34.13 32.22 2ijx s GLU 108 CO 0.03 0.34 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.88 2ijx s PHE 109 N -0.08 2.07 -0.29 5.30 0.40 0.91 -4.99 117.98 121.29 2ijx s PHE 109 Ca -0.05 -1.03 -0.08 0.00 -0.60 0.00 0.00 56.93 55.17 2ijx s PHE 109 Cb -0.14 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.89 2ijx s PHE 109 CO 0.04 -0.53 0.11 -0.80 0.70 0.00 0.00 175.22 174.74 2ijx s ASN 110 N 1.10 5.34 -0.03 1.36 0.01 -1.26 -1.10 114.94 120.36 2ijx s ASN 110 Ca -0.04 -0.50 0.04 0.00 -0.71 0.00 0.00 52.86 51.65 2ijx s ASN 110 Cb -0.14 -1.95 -0.00 0.00 0.41 0.00 0.00 41.25 39.56 2ijx s ASN 110 CO -0.04 -0.16 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.55 2ijx s VAL 111 N 1.58 1.27 0.21 1.60 1.01 -0.47 -5.02 120.40 120.59 2ijx s VAL 111 Ca 0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 2ijx s VAL 111 Cb -0.17 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 35.04 2ijx s VAL 111 CO 0.05 0.37 1.09 0.00 0.00 0.00 0.00 175.10 176.61 2ijx s ARG 112 N -0.07 4.62 -0.14 2.72 1.70 -1.26 -1.32 118.95 125.20 2ijx s ARG 112 Ca -0.01 1.73 -0.29 0.00 -0.47 0.00 0.00 55.73 56.70 2ijx s ARG 112 Cb -0.09 -3.25 -0.01 0.00 -0.57 0.00 0.00 34.95 31.03 2ijx s ARG 112 CO 0.01 0.13 1.07 1.21 -1.08 0.00 0.00 175.30 176.64 2ijx s ASN 113 N -0.38 7.14 0.26 -2.89 2.47 -0.04 -4.84 114.94 116.66 2ijx s ASN 113 Ca 0.48 1.54 -0.18 0.00 0.42 0.00 0.00 52.86 55.12 2ijx s ASN 113 Cb -0.30 -2.55 -0.09 0.00 -1.45 0.00 0.00 41.25 36.86 2ijx s ASN 113 CO 0.37 -0.57 0.73 -0.76 -3.72 0.00 0.00 177.10 173.15 2ijx s LEU 114 N 2.56 4.22 -0.50 3.21 1.43 -0.55 -4.85 118.68 124.21 2ijx s LEU 114 Ca 0.49 1.36 -0.21 0.00 -1.03 0.00 0.00 54.13 54.73 2ijx s LEU 114 Cb -0.18 -3.80 0.04 0.00 0.03 0.00 0.00 46.19 42.28 2ijx s LEU 114 CO 0.14 -0.07 0.73 -1.61 0.23 0.00 0.00 176.35 175.77 2ijx s GLU 115 N -2.41 3.24 -0.01 1.70 0.41 -1.26 -3.70 118.70 116.67 2ijx s GLU 115 Ca 0.48 -0.52 0.07 0.00 -0.41 0.00 0.00 54.97 54.59 2ijx s GLU 115 Cb -0.14 -4.04 -0.02 0.00 -1.78 0.00 0.00 34.13 28.16 2ijx s GLU 115 CO 0.19 -1.23 -0.23 0.08 -0.49 0.00 0.00 175.26 173.58 2ijx s VAL 116 N 3.09 1.81 0.24 2.63 1.01 -1.26 -5.10 120.40 122.82 2ijx s VAL 116 Ca 0.22 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 2ijx s VAL 116 Cb -0.15 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.63 2ijx s VAL 116 CO 0.17 0.49 1.05 -0.55 0.00 0.00 0.00 175.10 176.26 2ijx s SER 117 N -0.59 7.38 0.19 3.32 0.15 -1.26 -5.00 113.70 117.89 2ijx s SER 117 Ca 0.09 2.13 -0.12 0.00 0.70 0.00 0.00 55.95 58.74 2ijx s SER 117 Cb -0.09 -2.62 -0.07 0.00 -1.71 0.00 0.00 66.02 61.53 2ijx s SER 117 CO -0.01 -0.07 0.55 -1.61 1.20 0.00 0.00 173.24 173.30 2ijx s GLU 118 N -1.08 3.90 -0.19 5.44 2.02 -1.26 -4.96 118.70 122.57 2ijx s GLU 118 Ca 0.45 0.40 -0.04 0.00 0.02 0.00 0.00 54.97 55.79 2ijx s GLU 118 Cb -0.29 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 2ijx s GLU 118 CO 0.37 0.40 -0.02 -0.65 0.02 0.00 0.00 175.26 175.38 2ijx s GLN 119 N -2.37 3.61 0.50 1.61 -0.21 -1.26 -5.10 119.66 116.44 2ijx s GLN 119 Ca 0.42 -0.53 -0.22 0.00 0.02 0.00 0.00 55.36 55.05 2ijx s GLN 119 Cb -0.13 -3.02 -0.06 0.00 1.00 0.00 0.00 33.01 30.80 2ijx s GLN 119 CO 0.20 0.07 1.25 -1.83 -2.12 0.00 0.00 175.29 172.86 2ijx s GLU 120 N 0.84 3.45 -0.06 2.91 -1.05 -1.26 -4.87 118.70 118.66 2ijx s GLU 120 Ca -0.00 1.99 -0.30 0.00 -0.15 0.00 0.00 54.97 56.51 2ijx s GLU 120 Cb -0.14 -2.33 -0.04 0.00 -0.44 0.00 0.00 34.13 31.18 2ijx s GLU 120 CO 0.02 -0.86 1.44 0.42 0.95 0.00 0.00 175.26 177.23 2ijx s ILE 121 N -1.44 3.82 0.30 1.83 1.09 -1.26 -4.96 121.20 120.58 2ijx s ILE 121 Ca 0.68 1.09 -0.29 0.00 -1.10 0.00 0.00 60.65 61.03 2ijx s ILE 121 Cb -0.34 -3.70 -0.13 0.00 -1.06 0.00 0.00 42.46 37.23 2ijx s ILE 121 CO 0.41 -0.05 1.35 -2.65 -0.10 0.00 0.00 174.94 173.89 2ijx n PRO 122 N 6.21 2.12 -2.94 2.79 -0.02 -1.26 -4.88 135.00 137.02 2ijx n PRO 122 Ca 0.15 0.75 -0.44 0.00 -2.02 0.00 0.00 63.50 61.93 2ijx n PRO 122 Cb 0.44 -2.37 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2ijx n PRO 122 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2ijx s GLU 123 N -1.25 4.04 -0.07 -0.52 2.02 -1.26 -4.93 118.70 116.74 2ijx s GLU 123 Ca 0.61 -2.49 0.03 0.00 0.02 0.00 0.00 54.97 53.13 2ijx s GLU 123 Cb -0.60 -5.06 0.01 0.00 0.10 0.00 0.00 34.13 28.58 2ijx s GLU 123 CO 0.57 -1.78 -0.15 0.42 0.02 0.00 0.00 175.26 174.34 2ijx s ILE 124 N 1.74 1.31 0.44 -1.63 1.01 -1.26 -5.13 121.20 117.68 2ijx s ILE 124 Ca 0.42 -0.59 -0.23 0.00 0.00 0.00 0.00 60.65 60.25 2ijx s ILE 124 Cb -0.03 -1.17 -0.08 0.00 0.01 0.00 0.00 42.46 41.19 2ijx s ILE 124 CO -0.01 0.39 1.12 0.20 0.00 0.00 0.00 174.94 176.65 2ijx s ASN 125 N 0.52 6.36 -0.12 3.58 0.02 -1.26 -5.06 114.94 118.99 2ijx s ASN 125 Ca -0.14 2.20 -0.01 0.00 -1.02 0.00 0.00 52.86 53.89 2ijx s ASN 125 Cb -0.15 -2.59 0.03 0.00 0.02 0.00 0.00 41.25 38.55 2ijx s ASN 125 CO 0.04 -0.78 -0.05 -0.76 0.02 0.00 0.00 177.10 175.58 2ijx s LEU 126 N -2.93 1.14 -0.19 0.60 1.43 -1.26 -5.12 118.68 112.35 2ijx s LEU 126 Ca 0.62 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2ijx s LEU 126 Cb -0.26 -0.75 0.04 0.00 0.03 0.00 0.00 46.19 45.25 2ijx s LEU 126 CO 0.31 -0.16 -0.10 -1.10 0.23 0.00 0.00 176.35 175.54 2ijx s GLN 127 N 1.76 1.94 0.08 1.70 -0.21 -1.26 -5.13 119.66 118.54 2ijx s GLN 127 Ca 0.04 -0.76 -0.00 0.00 0.02 0.00 0.00 55.36 54.66 2ijx s GLN 127 Cb -0.13 -2.32 -0.04 0.00 1.00 0.00 0.00 33.01 31.52 2ijx s GLN 127 CO -0.07 -0.41 0.24 -0.06 -2.12 0.00 0.00 175.29 172.86 2ijx s PHE 128 N 1.45 3.51 -0.07 0.91 0.08 -1.26 -4.91 117.98 117.69 2ijx s PHE 128 Ca -0.00 0.26 0.14 0.00 0.12 0.00 0.00 56.93 57.45 2ijx s PHE 128 Cb -0.16 -1.77 -0.18 0.00 -0.57 0.00 0.00 43.02 40.34 2ijx s PHE 128 CO -0.08 0.56 0.78 -0.44 -0.10 0.00 0.00 175.22 175.94 2ijx h ASP 129 N 2.92 0.00 -3.88 1.36 3.32 -1.54 -3.46 116.42 115.13 2ijx h ASP 129 Ca -0.46 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.36 2ijx h ASP 129 Cb 1.17 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.44 2ijx h ASP 129 CO 0.75 0.81 -0.72 -0.63 -1.72 0.00 0.00 179.24 177.73 2ijx s ILE 130 N -2.75 0.07 0.00 0.35 -1.09 -0.99 -0.18 121.20 116.61 2ijx s ILE 130 Ca -0.03 -0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.28 2ijx s ILE 130 Cb 0.08 -0.08 -0.01 0.00 -1.58 0.00 0.00 42.46 40.87 2ijx s ILE 130 CO 0.82 -0.04 -0.07 -0.44 -1.23 0.00 0.00 174.94 173.97 2ijx s SER 131 N -0.17 0.87 -0.02 3.58 0.01 -0.42 -1.83 113.70 115.72 2ijx s SER 131 Ca -0.01 -0.21 -0.14 0.00 1.31 0.00 0.00 55.95 56.90 2ijx s SER 131 Cb -0.01 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.17 2ijx s SER 131 CO -0.00 0.04 0.30 0.00 0.41 0.00 0.00 173.24 173.99 2ijx s ALA 132 N -0.38 -0.77 -0.27 1.44 0.00 -0.04 0.59 121.76 122.32 2ijx s ALA 132 Ca 0.01 0.36 -0.08 0.00 0.00 0.00 0.00 51.96 52.25 2ijx s ALA 132 Cb -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2ijx s ALA 132 CO -0.00 -0.25 0.11 0.99 0.00 0.00 0.00 175.76 176.61 2ijx s THR 133 N -1.18 4.50 0.22 0.00 2.01 -0.49 -0.20 115.64 120.50 2ijx s THR 133 Ca -0.12 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 61.70 2ijx s THR 133 Cb -0.05 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 2ijx s THR 133 CO 0.04 0.23 -0.09 0.27 -0.69 0.00 0.00 174.62 174.38 2ijx s ILE 134 N 1.62 1.51 0.03 1.82 -4.36 -0.35 -0.51 121.20 120.96 2ijx s ILE 134 Ca 0.06 -2.13 -0.36 0.00 -0.26 0.00 0.00 60.65 57.96 2ijx s ILE 134 Cb -0.16 -2.17 -0.14 0.00 1.25 0.00 0.00 42.46 41.23 2ijx s ILE 134 CO 0.05 -0.49 1.59 -0.24 0.24 0.00 0.00 174.94 176.09 2ijx n SER 135 N -0.41 2.66 -0.17 4.36 2.88 -0.31 -0.27 113.62 122.36 2ijx n SER 135 Ca -0.07 1.07 -0.10 0.00 -1.33 0.00 0.00 58.87 58.43 2ijx n SER 135 Cb 0.62 -1.31 0.01 0.00 -0.75 0.00 0.00 64.21 62.78 2ijx n SER 135 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ijx h SER 136 N 6.36 1.02 -0.16 -3.46 0.02 -1.16 -1.15 113.55 115.03 2ijx h SER 136 Ca -0.47 -0.36 -0.16 0.00 -0.84 0.00 0.00 61.79 59.97 2ijx h SER 136 Cb 1.29 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 2ijx h SER 136 CO 0.88 1.16 -0.46 0.44 -1.14 0.00 0.00 176.83 177.70 2ijx h ASP 137 N 0.89 0.78 -0.64 3.07 5.19 -1.85 -0.64 116.42 123.21 2ijx h ASP 137 Ca 0.13 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 2ijx h ASP 137 Cb 0.73 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.99 2ijx h ASP 137 CO 0.06 1.12 0.41 1.23 -3.12 0.00 0.00 179.24 178.93 2ijx h GLY 138 N 0.92 0.91 0.87 2.75 0.00 -1.91 -1.24 103.07 105.38 2ijx h GLY 138 Ca 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2ijx h GLY 138 CO 0.10 0.35 0.07 -2.75 0.00 0.00 0.00 176.54 174.30 2ijx h PHE 139 N 0.87 0.29 -0.37 5.60 3.04 -0.92 -1.24 116.94 124.21 2ijx h PHE 139 Ca 0.23 -0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.23 2ijx h PHE 139 Cb -0.07 -0.09 -0.07 0.00 2.56 0.00 0.00 35.95 38.29 2ijx h PHE 139 CO -0.02 0.36 -0.06 -0.22 -2.02 0.00 0.00 178.31 176.34 2ijx h LYS 140 N 0.14 0.03 -0.80 1.11 3.64 -0.97 -1.62 116.57 118.10 2ijx h LYS 140 Ca 0.06 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2ijx h LYS 140 Cb 0.20 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 2ijx h LYS 140 CO -0.00 0.02 0.50 0.77 -2.27 0.00 0.00 179.45 178.46 2ijx h SER 141 N 0.03 0.94 -0.11 4.20 0.02 -1.07 -1.46 113.55 116.10 2ijx h SER 141 Ca 0.18 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2ijx h SER 141 Cb 0.27 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2ijx h SER 141 CO -0.36 0.72 0.06 0.00 -1.14 0.00 0.00 176.83 176.11 2ijx h ALA 142 N 1.27 0.13 -0.26 3.77 0.00 -0.80 -0.30 119.26 123.07 2ijx h ALA 142 Ca 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2ijx h ALA 142 Cb -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2ijx h ALA 142 CO -0.06 -0.39 0.09 0.82 0.00 0.00 0.00 179.25 179.71 2ijx h ILE 143 N 0.12 1.19 -0.38 0.00 1.08 -1.16 -0.47 117.51 117.89 2ijx h ILE 143 Ca 0.04 -0.61 0.02 0.00 -0.39 0.00 0.00 64.86 63.93 2ijx h ILE 143 Cb 0.00 1.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 2ijx h ILE 143 CO -0.03 0.20 0.20 0.28 -0.69 0.00 0.00 178.15 178.11 2ijx h SER 144 N 0.26 0.31 0.05 1.72 0.02 -1.14 -0.16 113.55 114.61 2ijx h SER 144 Ca 0.09 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2ijx h SER 144 Cb 0.23 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2ijx h SER 144 CO -0.00 0.22 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.55 2ijx h GLU 145 N 0.41 -0.07 -0.90 3.45 5.08 -0.78 -2.87 114.58 118.90 2ijx h GLU 145 Ca 0.16 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2ijx h GLU 145 Cb 0.05 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2ijx h GLU 145 CO -0.10 -0.01 0.59 0.28 -1.00 0.00 0.00 179.01 178.78 2ijx h VAL 146 N -0.11 1.21 0.00 3.13 2.07 -0.95 -2.66 116.25 118.94 2ijx h VAL 146 Ca -0.01 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2ijx h VAL 146 Cb 0.09 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 2ijx h VAL 146 CO 0.01 0.22 0.00 -1.28 0.02 0.00 0.00 177.57 176.54 2ijx h SER 147 N 1.20 0.00 0.04 0.57 0.87 -0.80 -2.13 113.55 113.29 2ijx h SER 147 Ca 0.34 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.89 2ijx h SER 147 Cb -0.10 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2ijx h SER 147 CO -0.09 0.00 -0.03 0.71 -0.53 0.00 0.00 176.83 176.89 2ijx h THR 148 N 0.00 0.86 0.00 2.23 1.35 -1.34 -3.31 112.91 112.70 2ijx h THR 148 Ca 0.00 -0.11 -0.02 0.00 -0.55 0.00 0.00 66.41 65.73 2ijx h THR 148 Cb 0.19 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2ijx h THR 148 CO 0.00 0.03 -1.13 1.33 -0.25 0.00 0.00 175.52 175.50 2ijx n VAL 149 N -4.27 0.06 -3.65 6.82 0.24 -0.86 -5.09 118.33 111.58 2ijx n VAL 149 Ca -0.03 -0.07 -0.11 0.00 -2.04 0.00 0.00 64.34 62.08 2ijx n VAL 149 Cb 0.12 -0.08 -0.05 0.00 -1.47 0.00 0.00 33.84 32.36 2ijx n VAL 149 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2ijx s THR 150 N -2.13 0.06 -2.09 3.34 -1.32 -0.87 -5.02 115.64 107.61 2ijx s THR 150 Ca -0.01 -0.52 0.28 0.00 -1.21 0.00 0.00 61.69 60.22 2ijx s THR 150 Cb 0.01 -1.07 0.43 0.00 -1.51 0.00 0.00 72.50 70.36 2ijx s THR 150 CO 0.10 -0.29 1.69 -0.67 -2.21 0.00 0.00 174.62 173.25 2ijx n ASP 151 N 0.10 1.16 -4.26 8.08 2.03 -1.26 -4.08 116.55 118.32 2ijx n ASP 151 Ca -0.17 -1.14 -0.43 0.00 0.52 0.00 0.00 54.79 53.57 2ijx n ASP 151 Cb 0.62 0.05 -0.07 0.00 -0.72 0.00 0.00 41.12 41.00 2ijx n ASP 151 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2ijx s ASN 152 N -2.26 5.92 -0.26 1.67 0.01 -1.26 -0.27 114.94 118.50 2ijx s ASN 152 Ca 0.32 -1.85 -0.17 0.00 -0.71 0.00 0.00 52.86 50.44 2ijx s ASN 152 Cb 0.20 -2.10 -0.03 0.00 0.41 0.00 0.00 41.25 39.73 2ijx s ASN 152 CO 0.43 -0.77 0.47 -0.69 -1.51 0.00 0.00 177.10 175.03 2ijx s VAL 153 N 1.47 5.11 -0.14 1.60 1.01 -0.18 -1.52 120.40 127.74 2ijx s VAL 153 Ca 0.04 0.78 -0.14 0.00 0.00 0.00 0.00 61.98 62.66 2ijx s VAL 153 Cb -0.28 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2ijx s VAL 153 CO 0.01 0.11 0.31 -0.69 0.00 0.00 0.00 175.10 174.85 2ijx s VAL 154 N 2.20 5.28 -0.17 2.92 1.01 0.12 -0.13 120.40 131.63 2ijx s VAL 154 Ca 0.19 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 2ijx s VAL 154 Cb -0.16 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2ijx s VAL 154 CO 0.09 0.41 -0.12 -0.69 0.00 0.00 0.00 175.10 174.80 2ijx s VAL 155 N 0.25 2.92 0.01 2.92 1.01 -0.42 -1.13 120.40 125.95 2ijx s VAL 155 Ca 0.18 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.56 2ijx s VAL 155 Cb -0.13 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2ijx s VAL 155 CO 0.05 0.49 -0.24 -1.61 0.00 0.00 0.00 175.10 173.80 2ijx s GLU 156 N 0.93 2.03 -0.15 2.72 2.02 0.47 -2.01 118.70 124.71 2ijx s GLU 156 Ca -0.02 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 53.99 2ijx s GLU 156 Cb -0.15 -2.08 0.03 0.00 0.10 0.00 0.00 34.13 32.03 2ijx s GLU 156 CO -0.01 0.55 -0.12 0.20 0.02 0.00 0.00 175.26 175.90 2ijx s GLY 157 N -0.98 1.09 0.56 -1.39 0.00 0.06 -1.30 107.32 105.37 2ijx s GLY 157 Ca 0.11 -0.90 0.05 0.00 0.00 0.00 0.00 44.72 43.99 2ijx s GLY 157 CO 0.01 0.63 0.41 0.30 0.00 0.00 0.00 173.10 174.45 2ijx s HIS 158 N 1.52 1.48 0.45 1.90 3.76 -0.38 -2.47 115.29 121.54 2ijx s HIS 158 Ca 0.04 -0.89 0.14 0.00 -0.15 0.00 0.00 55.06 54.19 2ijx s HIS 158 Cb -0.14 -1.88 0.99 0.00 1.11 0.00 0.00 32.58 32.67 2ijx s HIS 158 CO -0.10 -0.53 2.00 0.93 -0.85 0.00 0.00 174.74 176.19 2ijx h GLU 159 N 0.70 0.04 0.00 1.40 5.08 -2.00 -3.28 114.58 116.52 2ijx h GLU 159 Ca -0.36 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2ijx h GLU 159 Cb 1.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2ijx h GLU 159 CO 0.57 0.19 0.00 -0.40 -1.00 0.00 0.00 179.01 178.37 2ijx n ASP 160 N -4.34 1.22 -3.47 1.42 5.75 -1.26 -4.95 116.55 110.92 2ijx n ASP 160 Ca -0.02 -1.49 -0.12 0.00 -0.01 0.00 0.00 54.79 53.15 2ijx n ASP 160 Cb 0.23 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 2ijx n ASP 160 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ijx s ARG 161 N -0.49 1.07 -0.07 0.11 1.70 -1.24 -4.50 118.95 115.54 2ijx s ARG 161 Ca 0.00 -0.23 0.05 0.00 -0.47 0.00 0.00 55.73 55.08 2ijx s ARG 161 Cb 0.00 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.86 2ijx s ARG 161 CO 0.00 -0.44 -0.21 0.42 -1.08 0.00 0.00 175.30 173.99 2ijx s ILE 162 N -2.86 2.37 -0.08 4.99 -1.09 -0.26 -1.25 121.20 123.03 2ijx s ILE 162 Ca -0.01 -0.95 0.05 0.00 -2.23 0.00 0.00 60.65 57.51 2ijx s ILE 162 Cb -0.01 -1.90 -0.01 0.00 -1.58 0.00 0.00 42.46 38.97 2ijx s ILE 162 CO -0.06 0.57 -0.23 -0.76 -1.23 0.00 0.00 174.94 173.23 2ijx s LEU 163 N -0.17 2.17 -0.17 2.97 1.43 -0.42 -0.16 118.68 124.34 2ijx s LEU 163 Ca -0.02 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2ijx s LEU 163 Cb -0.14 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.67 2ijx s LEU 163 CO 0.04 0.22 -0.18 -0.63 0.23 0.00 0.00 176.35 176.03 2ijx s ILE 164 N 0.01 2.35 0.17 -0.59 1.01 -0.59 -0.39 121.20 123.17 2ijx s ILE 164 Ca -0.08 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 2ijx s ILE 164 Cb -0.15 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 2ijx s ILE 164 CO 0.05 0.52 0.29 -1.59 0.00 0.00 0.00 174.94 174.21 2ijx s LYS 165 N 1.05 1.17 0.11 2.79 -2.85 -0.28 -0.69 119.74 121.03 2ijx s LYS 165 Ca -0.01 -1.18 -0.30 0.00 -1.00 0.00 0.00 55.97 53.47 2ijx s LYS 165 Cb -0.14 0.38 -0.06 0.00 -2.06 0.00 0.00 37.83 35.94 2ijx s LYS 165 CO -0.05 -0.43 1.15 0.00 0.10 0.00 0.00 175.35 176.12 2ijx s ALA 166 N -3.97 3.38 0.31 0.59 0.00 -0.39 -0.70 121.76 120.97 2ijx s ALA 166 Ca 0.18 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.68 2ijx s ALA 166 Cb 0.03 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 2ijx s ALA 166 CO 0.00 -0.34 1.49 -2.00 0.00 0.00 0.00 175.76 174.91 2ijx s GLU 167 N 0.41 4.19 0.51 0.00 2.12 -0.58 -4.77 118.70 120.58 2ijx s GLU 167 Ca 0.54 2.45 0.00 0.00 0.36 0.00 0.00 54.97 58.33 2ijx s GLU 167 Cb -0.29 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.06 2ijx s GLU 167 CO 0.32 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 2ijx n GLY 168 N 1.54 -1.80 0.48 -1.50 0.00 -1.26 -4.71 105.19 97.94 2ijx n GLY 168 Ca 0.05 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.35 2ijx n GLY 168 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ijx n GLU 169 N 0.00 1.62 0.24 1.61 1.02 -1.26 -3.94 120.64 119.93 2ijx n GLU 169 Ca 0.00 -0.94 0.11 0.00 -0.02 0.00 0.00 57.16 56.31 2ijx n GLU 169 Cb 0.00 -1.34 0.52 0.00 -0.02 0.00 0.00 31.44 30.60 2ijx n GLU 169 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2ijx h SER 170 N 1.82 0.00 -1.49 1.62 4.64 -1.89 -3.47 113.55 114.78 2ijx h SER 170 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 2ijx h SER 170 Cb 0.40 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.36 2ijx h SER 170 CO 0.00 0.18 -0.41 -0.62 -0.87 0.00 0.00 176.83 175.11 2ijx n GLU 171 N -3.36 -1.51 -2.34 4.77 1.02 -1.25 -4.97 120.64 112.99 2ijx n GLU 171 Ca 0.00 1.15 -0.42 0.00 -0.02 0.00 0.00 57.16 57.87 2ijx n GLU 171 Cb 0.39 -5.60 -0.03 0.00 -0.02 0.00 0.00 31.44 26.19 2ijx n GLU 171 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ijx s VAL 172 N -2.79 4.06 -0.19 2.62 1.01 -1.26 -4.97 120.40 118.88 2ijx s VAL 172 Ca 0.00 1.36 -0.16 0.00 0.00 0.00 0.00 61.98 63.18 2ijx s VAL 172 Cb 0.00 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.56 2ijx s VAL 172 CO 0.00 -0.06 0.49 -0.70 0.00 0.00 0.00 175.10 174.83 2ijx s GLU 173 N 2.90 0.55 -0.10 2.72 2.12 -1.26 -1.26 118.70 124.37 2ijx s GLU 173 Ca 0.59 0.73 0.04 0.00 0.36 0.00 0.00 54.97 56.69 2ijx s GLU 173 Cb -0.26 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.35 2ijx s GLU 173 CO 0.21 -0.09 -0.22 0.08 -0.54 0.00 0.00 175.26 174.71 2ijx s VAL 174 N 0.54 1.90 -0.14 3.70 1.01 0.14 -5.01 120.40 122.54 2ijx s VAL 174 Ca -0.02 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 2ijx s VAL 174 Cb -0.04 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2ijx s VAL 174 CO -0.03 0.52 0.03 -0.70 0.00 0.00 0.00 175.10 174.92 2ijx s GLU 175 N 0.45 3.55 -0.25 2.72 2.12 -1.26 -1.54 118.70 124.49 2ijx s GLU 175 Ca -0.17 -0.38 -0.03 0.00 0.36 0.00 0.00 54.97 54.75 2ijx s GLU 175 Cb -0.17 -3.01 0.02 0.00 0.26 0.00 0.00 34.13 31.22 2ijx s GLU 175 CO 0.07 0.45 -0.03 -0.06 -0.54 0.00 0.00 175.26 175.14 2ijx s PHE 176 N -0.15 3.06 0.32 5.30 0.40 0.78 -4.79 117.98 122.91 2ijx s PHE 176 Ca 0.06 -1.34 -0.13 0.00 -0.60 0.00 0.00 56.93 54.92 2ijx s PHE 176 Cb -0.12 -2.10 0.02 0.00 0.51 0.00 0.00 43.02 41.32 2ijx s PHE 176 CO 0.02 -0.67 0.63 -1.54 0.70 0.00 0.00 175.22 174.36 2ijx s SER 177 N 1.38 0.14 0.26 1.36 1.04 -1.26 -1.10 113.70 115.52 2ijx s SER 177 Ca 0.02 -1.07 -0.00 0.00 0.48 0.00 0.00 55.95 55.38 2ijx s SER 177 Cb -0.16 0.72 0.36 0.00 0.10 0.00 0.00 66.02 67.03 2ijx s SER 177 CO -0.03 -1.40 1.72 0.11 0.98 0.00 0.00 173.24 174.62 2ijx h LYS 178 N 2.09 0.63 -0.33 4.02 6.56 -1.80 0.91 116.57 128.64 2ijx h LYS 178 Ca -0.27 -0.21 0.03 0.00 -1.06 0.00 0.00 60.65 59.14 2ijx h LYS 178 Cb 1.25 -0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 32.82 2ijx h LYS 178 CO 0.35 0.76 0.12 -0.44 -2.06 0.00 0.00 179.45 178.19 2ijx h ASP 179 N 0.56 0.14 1.81 0.86 3.32 -1.96 -2.97 116.42 118.18 2ijx h ASP 179 Ca 0.09 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2ijx h ASP 179 Cb 0.60 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2ijx h ASP 179 CO 0.04 0.12 -0.18 0.71 -1.72 0.00 0.00 179.24 178.21 2ijx h THR 180 N 0.27 0.32 0.00 0.35 1.35 -1.85 -3.48 112.91 109.87 2ijx h THR 180 Ca 0.15 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 2ijx h THR 180 Cb 0.11 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2ijx h THR 180 CO -0.14 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 2ijx n GLY 181 N 1.13 0.75 0.39 5.82 0.00 0.30 -4.90 105.19 108.68 2ijx n GLY 181 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2ijx n GLY 181 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ijx n GLY 182 N -2.38 -0.26 3.16 -0.02 0.00 -1.14 -4.87 105.19 99.68 2ijx n GLY 182 Ca 0.00 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 2ijx n GLY 182 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ijx s LEU 183 N -2.28 2.55 -0.14 0.99 2.96 -1.22 -1.16 118.68 120.37 2ijx s LEU 183 Ca 0.29 -0.72 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2ijx s LEU 183 Cb 0.20 -1.55 -0.23 0.00 0.50 0.00 0.00 46.19 45.10 2ijx s LEU 183 CO 0.44 -0.04 0.27 1.67 -1.32 0.00 0.00 176.35 177.37 2ijx n GLN 184 N 4.63 0.69 -3.60 1.98 7.27 0.33 -4.57 117.38 124.12 2ijx n GLN 184 Ca -0.19 0.21 -0.15 0.00 0.07 0.00 0.00 57.00 56.93 2ijx n GLN 184 Cb 0.49 -1.66 -0.07 0.00 2.41 0.00 0.00 30.24 31.41 2ijx n GLN 184 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2ijx s ASP 185 N -6.48 -0.66 -0.04 1.69 2.15 -1.18 -4.98 116.67 107.17 2ijx s ASP 185 Ca -0.19 1.04 -0.01 0.00 0.43 0.00 0.00 52.55 53.82 2ijx s ASP 185 Cb 0.07 0.99 0.03 0.00 -0.30 0.00 0.00 42.92 43.72 2ijx s ASP 185 CO 0.76 -0.39 0.07 -0.22 -0.17 0.00 0.00 175.17 175.22 2ijx s LEU 186 N -0.34 0.63 -0.27 -1.34 0.20 -1.26 -1.39 118.68 114.91 2ijx s LEU 186 Ca -0.05 0.13 -0.05 0.00 0.69 0.00 0.00 54.13 54.85 2ijx s LEU 186 Cb -0.03 0.02 0.01 0.00 -0.43 0.00 0.00 46.19 45.76 2ijx s LEU 186 CO 0.05 -0.18 0.02 -1.61 -0.29 0.00 0.00 176.35 174.34 2ijx s GLU 187 N 1.53 3.08 -0.23 1.98 2.02 0.20 -5.00 118.70 122.27 2ijx s GLU 187 Ca -0.04 -0.84 -0.03 0.00 0.02 0.00 0.00 54.97 54.08 2ijx s GLU 187 Cb -0.12 -3.20 0.01 0.00 0.10 0.00 0.00 34.13 30.91 2ijx s GLU 187 CO -0.04 -0.38 -0.06 0.12 0.02 0.00 0.00 175.26 174.92 2ijx s PHE 188 N 1.45 2.99 -0.24 1.61 5.36 -1.26 -1.29 117.98 126.59 2ijx s PHE 188 Ca 0.02 -1.23 -0.09 0.00 -0.96 0.00 0.00 56.93 54.67 2ijx s PHE 188 Cb -0.17 -2.08 -0.11 0.00 -0.34 0.00 0.00 43.02 40.32 2ijx s PHE 188 CO -0.00 -0.64 -0.29 0.45 -1.46 0.00 0.00 175.22 173.28 2ijx n SER 189 N 4.74 1.79 -3.72 6.13 2.88 0.74 -5.02 113.62 121.16 2ijx n SER 189 Ca -0.18 0.22 -0.13 0.00 -1.33 0.00 0.00 58.87 57.45 2ijx n SER 189 Cb 0.49 -0.64 -0.09 0.00 -0.75 0.00 0.00 64.21 63.22 2ijx n SER 189 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2ijx s LYS 190 N -2.44 0.55 0.24 -1.46 2.20 -0.84 -5.06 119.74 112.93 2ijx s LYS 190 Ca -0.33 0.54 -0.31 0.00 -0.36 0.00 0.00 55.97 55.50 2ijx s LYS 190 Cb 0.12 0.27 -0.13 0.00 -1.51 0.00 0.00 37.83 36.58 2ijx s LYS 190 CO 0.44 -0.08 1.47 -1.91 -0.36 0.00 0.00 175.35 174.91 2ijx n GLU 191 N 2.63 2.18 -3.94 4.03 2.13 -1.26 -4.49 120.64 121.93 2ijx n GLU 191 Ca -0.14 0.78 -0.10 0.00 0.66 0.00 0.00 57.16 58.36 2ijx n GLU 191 Cb 0.57 -2.48 -0.11 0.00 0.27 0.00 0.00 31.44 29.69 2ijx n GLU 191 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2ijx s SER 192 N 0.44 0.16 -0.18 4.31 0.01 -1.03 -4.87 113.70 112.54 2ijx s SER 192 Ca 0.69 -0.36 -0.09 0.00 1.31 0.00 0.00 55.95 57.50 2ijx s SER 192 Cb -0.62 0.12 0.06 0.00 0.21 0.00 0.00 66.02 65.79 2ijx s SER 192 CO 0.47 -0.28 0.42 -0.75 0.41 0.00 0.00 173.24 173.52 2ijx s LYS 193 N -1.24 0.39 0.07 12.44 2.20 -1.26 -0.76 119.74 131.59 2ijx s LYS 193 Ca -0.14 0.83 -0.17 0.00 -0.36 0.00 0.00 55.97 56.14 2ijx s LYS 193 Cb -0.08 0.02 0.03 0.00 -1.51 0.00 0.00 37.83 36.30 2ijx s LYS 193 CO -0.00 -0.17 0.40 1.21 -0.36 0.00 0.00 175.35 176.42 2ijx s ASN 194 N 1.56 -0.24 -0.01 1.43 3.04 -0.85 -4.48 114.94 115.39 2ijx s ASN 194 Ca -0.09 -0.15 0.01 0.00 0.04 0.00 0.00 52.86 52.68 2ijx s ASN 194 Cb -0.09 0.44 -0.04 0.00 -1.54 0.00 0.00 41.25 40.02 2ijx s ASN 194 CO -0.13 -0.73 0.01 -0.94 -3.04 0.00 0.00 177.10 172.27 2ijx s SER 195 N -2.32 5.22 0.07 -4.21 1.04 -1.26 -1.31 113.70 110.93 2ijx s SER 195 Ca -0.02 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.45 2ijx s SER 195 Cb 0.00 -1.39 -0.03 0.00 0.10 0.00 0.00 66.02 64.69 2ijx s SER 195 CO -0.06 0.28 -0.07 -0.31 0.98 0.00 0.00 173.24 174.07 2ijx s TYR 196 N -1.09 0.76 -0.09 5.02 1.51 0.81 -0.66 117.35 123.61 2ijx s TYR 196 Ca 0.20 -0.76 -0.30 0.00 -1.01 0.00 0.00 57.07 55.20 2ijx s TYR 196 Cb -0.12 -0.45 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 2ijx s TYR 196 CO 0.10 -0.14 1.30 0.45 -1.11 0.00 0.00 175.55 176.15 2ijx s SER 197 N -2.44 6.94 0.32 2.29 0.15 -1.26 -1.01 113.70 118.68 2ijx s SER 197 Ca 0.03 1.86 0.02 0.00 0.70 0.00 0.00 55.95 58.55 2ijx s SER 197 Cb -0.01 -2.55 0.53 0.00 -1.71 0.00 0.00 66.02 62.28 2ijx s SER 197 CO -0.03 -0.70 1.87 0.00 1.20 0.00 0.00 173.24 175.57 2ijx h ALA 198 N 7.97 1.33 -0.37 5.45 0.00 -0.95 -2.52 119.26 130.16 2ijx h ALA 198 Ca -0.32 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.43 2ijx h ALA 198 Cb 1.14 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2ijx h ALA 198 CO 0.92 0.47 0.16 1.49 0.00 0.00 0.00 179.25 182.30 2ijx h GLU 199 N 0.64 0.33 -0.31 0.00 4.81 -1.91 0.23 114.58 118.37 2ijx h GLU 199 Ca 0.14 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 2ijx h GLU 199 Cb 0.28 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2ijx h GLU 199 CO 0.00 0.22 -0.25 1.88 -0.73 0.00 0.00 179.01 180.13 2ijx h TYR 200 N 0.34 0.70 -0.17 0.92 0.05 -1.93 -1.30 116.97 115.59 2ijx h TYR 200 Ca 0.16 -0.16 -0.19 0.00 0.05 0.00 0.00 58.73 58.60 2ijx h TYR 200 Cb 0.10 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.67 2ijx h TYR 200 CO -0.12 0.81 -0.66 -0.07 -1.05 0.00 0.00 178.16 177.08 2ijx h LEU 201 N 0.54 0.75 -0.78 3.88 3.38 -1.17 -3.04 115.31 118.87 2ijx h LEU 201 Ca 0.08 -0.45 0.06 0.00 0.09 0.00 0.00 57.88 57.66 2ijx h LEU 201 Cb 0.72 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2ijx h LEU 201 CO 0.06 1.21 0.46 0.44 0.09 0.00 0.00 178.44 180.70 2ijx h ASP 202 N 0.47 0.72 -0.50 -0.43 3.32 -0.47 -2.69 116.42 116.84 2ijx h ASP 202 Ca -0.02 0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.18 2ijx h ASP 202 Cb 1.25 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 2ijx h ASP 202 CO 0.13 0.46 0.35 0.44 -1.72 0.00 0.00 179.24 178.90 2ijx h ASP 203 N 0.85 0.07 -0.40 6.45 3.32 -1.12 -2.82 116.42 122.77 2ijx h ASP 203 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2ijx h ASP 203 Cb 0.17 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2ijx h ASP 203 CO -0.17 0.04 0.00 1.33 -1.72 0.00 0.00 179.24 178.72 2ijx n VAL 204 N -4.41 1.29 0.36 -1.35 0.24 -1.02 -4.27 118.33 109.16 2ijx n VAL 204 Ca 0.09 -1.16 0.13 0.00 -2.04 0.00 0.00 64.34 61.36 2ijx n VAL 204 Cb 0.52 0.34 0.56 0.00 -1.47 0.00 0.00 33.84 33.79 2ijx n VAL 204 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2ijx h LEU 205 N 2.39 0.00 -2.21 1.34 3.38 -1.37 -1.37 115.31 117.46 2ijx h LEU 205 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2ijx h LEU 205 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2ijx h LEU 205 CO 0.06 0.00 0.09 0.77 0.09 0.00 0.00 178.44 179.44 2ijx h SER 206 N 0.00 0.00 0.13 -0.43 4.64 -1.84 -1.67 113.55 114.38 2ijx h SER 206 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2ijx h SER 206 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2ijx h SER 206 CO 0.00 0.00 -0.05 -0.07 -0.87 0.00 0.00 176.83 175.84 2ijx h LEU 207 N 0.00 0.00 -1.09 5.97 3.38 -1.40 -2.06 115.31 120.11 2ijx h LEU 207 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2ijx h LEU 207 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2ijx h LEU 207 CO -0.00 0.05 0.00 0.71 0.09 0.00 0.00 178.44 179.29 2ijx h THR 208 N 0.00 0.00 0.00 0.22 1.35 -1.48 -0.93 112.91 112.07 2ijx h THR 208 Ca -0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2ijx h THR 208 Cb 0.13 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 2ijx h THR 208 CO 0.01 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.57 2ijx n LYS 209 N -2.45 0.22 0.13 4.72 5.02 -0.77 -3.85 118.16 121.17 2ijx n LYS 209 Ca 0.01 0.31 0.03 0.00 -2.02 0.00 0.00 58.31 56.63 2ijx n LYS 209 Cb 0.20 -1.82 0.02 0.00 -0.02 0.00 0.00 35.03 33.41 2ijx n LYS 209 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2ijx h LEU 210 N 0.00 0.00 -7.59 -0.35 3.38 -1.33 -3.47 115.31 105.94 2ijx h LEU 210 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2ijx h LEU 210 Cb 0.54 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.14 2ijx h LEU 210 CO 0.00 0.49 -0.24 -0.94 0.09 0.00 0.00 178.44 177.84 2ijx s SER 211 N -6.40 -0.08 0.34 -0.43 1.04 -1.25 -4.17 113.70 102.74 2ijx s SER 211 Ca 0.04 -0.36 0.17 0.00 0.48 0.00 0.00 55.95 56.28 2ijx s SER 211 Cb 0.08 0.38 0.47 0.00 0.10 0.00 0.00 66.02 67.04 2ijx s SER 211 CO 0.75 -0.70 1.63 0.44 0.98 0.00 0.00 173.24 176.34 2ijx h ASP 212 N 2.89 0.00 -3.80 7.02 3.32 -1.88 -3.43 116.42 120.54 2ijx h ASP 212 Ca -0.33 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.27 2ijx h ASP 212 Cb 1.21 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.59 2ijx h ASP 212 CO 0.49 0.44 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.38 2ijx s TYR 213 N -3.38 1.56 -0.05 4.55 1.51 -1.26 -0.67 117.35 119.61 2ijx s TYR 213 Ca 0.01 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 2ijx s TYR 213 Cb 0.10 -0.79 0.00 0.00 -0.11 0.00 0.00 41.96 41.16 2ijx s TYR 213 CO 0.71 0.22 -0.15 0.54 -1.11 0.00 0.00 175.55 175.76 2ijx s VAL 214 N -2.26 1.32 -0.24 0.71 0.11 0.63 -4.66 120.40 116.01 2ijx s VAL 214 Ca 0.13 -0.63 -0.20 0.00 -2.93 0.00 0.00 61.98 58.35 2ijx s VAL 214 Cb -0.04 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.63 2ijx s VAL 214 CO 0.04 0.39 0.60 -0.75 -3.33 0.00 0.00 175.10 172.05 2ijx s LYS 215 N 0.27 4.13 -0.10 1.54 2.20 -0.33 -1.21 119.74 126.23 2ijx s LYS 215 Ca -0.08 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 2ijx s LYS 215 Cb -0.13 -3.63 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 2ijx s LYS 215 CO 0.03 -0.35 -0.10 0.96 -0.36 0.00 0.00 175.35 175.52 2ijx s ILE 216 N 2.31 3.36 -0.01 5.43 -4.36 0.72 -0.31 121.20 128.34 2ijx s ILE 216 Ca 0.26 -0.58 0.03 0.00 -0.26 0.00 0.00 60.65 60.09 2ijx s ILE 216 Cb -0.16 -2.39 -0.00 0.00 1.25 0.00 0.00 42.46 41.16 2ijx s ILE 216 CO 0.09 0.56 -0.09 -0.44 0.24 0.00 0.00 174.94 175.30 2ijx s SER 217 N -0.23 1.06 0.29 4.36 0.01 -0.06 -0.86 113.70 118.27 2ijx s SER 217 Ca 0.02 -0.16 -0.17 0.00 1.31 0.00 0.00 55.95 56.94 2ijx s SER 217 Cb -0.13 -0.18 0.07 0.00 0.21 0.00 0.00 66.02 65.99 2ijx s SER 217 CO 0.03 0.09 0.88 2.22 0.41 0.00 0.00 173.24 176.86 2ijx n PHE 218 N 3.02 -1.90 -3.82 2.43 -1.74 -0.76 -0.70 117.46 114.00 2ijx n PHE 218 Ca -0.15 -1.56 0.02 0.00 -0.56 0.00 0.00 57.45 55.19 2ijx n PHE 218 Cb 0.56 0.77 0.01 0.00 1.52 0.00 0.00 39.48 42.34 2ijx n PHE 218 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 2ijx s GLY 219 N -3.20 -0.22 0.05 4.97 0.00 -1.26 -1.36 107.32 106.30 2ijx s GLY 219 Ca 0.19 0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.87 2ijx s GLY 219 CO 0.09 2.93 1.76 -1.31 0.00 0.00 0.00 173.10 176.57 2ijx s ASN 220 N -3.41 6.54 -1.80 1.64 0.01 -1.26 -2.05 114.94 114.61 2ijx s ASN 220 Ca 0.22 2.54 0.00 0.00 -0.71 0.00 0.00 52.86 54.91 2ijx s ASN 220 Cb 0.02 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.12 2ijx s ASN 220 CO -0.01 -0.96 0.00 0.00 -1.51 0.00 0.00 177.10 174.62 2ijx n GLN 221 N 6.34 -1.37 -4.43 -0.60 6.02 -1.26 -5.00 117.38 117.08 2ijx n GLN 221 Ca 0.17 1.04 -0.26 0.00 -0.01 0.00 0.00 57.00 57.95 2ijx n GLN 221 Cb 0.41 -5.44 -0.11 0.00 1.02 0.00 0.00 30.24 26.12 2ijx n GLN 221 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2ijx s LYS 222 N -4.16 1.54 1.02 -1.09 -0.14 -0.87 -4.98 119.74 111.06 2ijx s LYS 222 Ca 0.00 -1.58 -0.12 0.00 -1.36 0.00 0.00 55.97 52.91 2ijx s LYS 222 Cb 0.00 -1.78 0.20 0.00 -1.68 0.00 0.00 37.83 34.57 2ijx s LYS 222 CO 0.00 0.37 1.08 -1.25 -0.76 0.00 0.00 175.35 174.79 2ijx s PRO 223 N -2.91 0.25 -0.23 -1.68 0.04 -1.26 -4.33 135.00 124.88 2ijx s PRO 223 Ca 0.23 0.73 -0.09 0.00 0.04 0.00 0.00 61.00 61.91 2ijx s PRO 223 Cb -0.07 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 2ijx s PRO 223 CO 0.11 -2.91 0.11 -1.17 0.04 0.00 0.00 177.00 173.18 2ijx s LEU 224 N -6.63 3.83 -0.12 -3.56 2.96 -0.15 -4.27 118.68 110.73 2ijx s LEU 224 Ca 0.66 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.57 2ijx s LEU 224 Cb -0.20 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 2ijx s LEU 224 CO 0.59 0.07 -0.08 -1.58 -1.32 0.00 0.00 176.35 174.03 2ijx s GLN 225 N 1.02 3.26 -0.08 1.98 0.74 0.13 -0.64 119.66 126.08 2ijx s GLN 225 Ca 0.05 -0.59 0.04 0.00 0.05 0.00 0.00 55.36 54.91 2ijx s GLN 225 Cb -0.14 -2.70 -0.01 0.00 1.10 0.00 0.00 33.01 31.25 2ijx s GLN 225 CO 0.04 0.37 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.43 2ijx s LEU 226 N -0.02 2.34 -0.06 3.68 1.43 0.24 -0.88 118.68 125.40 2ijx s LEU 226 Ca -0.01 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 2ijx s LEU 226 Cb -0.14 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2ijx s LEU 226 CO 0.03 0.24 -0.12 0.12 0.23 0.00 0.00 176.35 176.85 2ijx s PHE 227 N -0.09 1.43 -0.11 0.29 5.36 0.58 -1.02 117.98 124.42 2ijx s PHE 227 Ca -0.04 -0.52 0.02 0.00 -0.96 0.00 0.00 56.93 55.43 2ijx s PHE 227 Cb -0.14 -1.05 0.01 0.00 -0.34 0.00 0.00 43.02 41.50 2ijx s PHE 227 CO 0.04 -0.27 -0.19 -0.06 -1.46 0.00 0.00 175.22 173.29 2ijx s PHE 228 N 0.64 2.27 -0.33 10.12 0.08 -0.10 -1.19 117.98 129.48 2ijx s PHE 228 Ca -0.14 -1.06 -0.09 0.00 0.12 0.00 0.00 56.93 55.76 2ijx s PHE 228 Cb -0.15 -1.58 0.01 0.00 -0.57 0.00 0.00 43.02 40.73 2ijx s PHE 228 CO 0.04 -0.50 0.15 -0.80 -0.10 0.00 0.00 175.22 174.01 2ijx s ASN 229 N 0.79 5.49 0.38 1.36 -0.87 -1.26 -1.65 114.94 119.19 2ijx s ASN 229 Ca -0.10 -0.73 -0.04 0.00 -1.57 0.00 0.00 52.86 50.43 2ijx s ASN 229 Cb -0.16 -1.97 -0.04 0.00 -0.02 0.00 0.00 41.25 39.06 2ijx s ASN 229 CO 0.01 -0.25 0.65 -0.04 -2.57 0.00 0.00 177.10 174.89 2ijx s MET 230 N 1.56 3.57 0.02 -0.60 -1.94 -0.65 -4.55 119.30 116.70 2ijx s MET 230 Ca 0.03 -0.00 -0.34 0.00 -1.71 0.00 0.00 55.69 53.67 2ijx s MET 230 Cb -0.18 -2.54 -0.12 0.00 2.01 0.00 0.00 34.83 34.00 2ijx s MET 230 CO 0.05 0.04 1.77 0.39 -0.01 0.00 0.00 175.02 177.26 2ijx n GLU 231 N -1.67 2.24 -0.46 2.03 4.71 -1.26 -1.52 120.64 124.70 2ijx n GLU 231 Ca -0.02 0.81 0.00 0.00 -0.01 0.00 0.00 57.16 57.95 2ijx n GLU 231 Cb 0.55 -2.64 0.00 0.00 -1.01 0.00 0.00 31.44 28.34 2ijx n GLU 231 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ijx n GLY 232 N 4.04 0.73 0.00 0.62 0.00 -1.26 -4.40 105.19 104.92 2ijx n GLY 232 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2ijx n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ijx n GLY 233 N -2.05 0.71 3.73 -0.02 0.00 -0.58 -4.16 105.19 102.83 2ijx n GLY 233 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2ijx n GLY 233 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ijx s GLY 234 N -1.32 2.28 -0.03 -0.02 0.00 -1.25 -4.65 107.32 102.34 2ijx s GLY 234 Ca 0.00 0.78 0.01 0.00 0.00 0.00 0.00 44.72 45.51 2ijx s GLY 234 CO 0.00 1.17 -0.04 0.54 0.00 0.00 0.00 173.10 174.78 2ijx s LYS 235 N -3.97 0.56 -0.06 2.90 -0.14 0.43 -1.64 119.74 117.82 2ijx s LYS 235 Ca 0.72 -0.09 0.04 0.00 -1.36 0.00 0.00 55.97 55.28 2ijx s LYS 235 Cb -0.27 -0.60 0.00 0.00 -1.68 0.00 0.00 37.83 35.29 2ijx s LYS 235 CO 0.44 -0.03 -0.17 0.08 -0.76 0.00 0.00 175.35 174.92 2ijx s VAL 236 N 0.59 1.43 -0.03 3.17 1.01 -0.66 -1.04 120.40 124.88 2ijx s VAL 236 Ca -0.07 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.29 2ijx s VAL 236 Cb -0.10 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 2ijx s VAL 236 CO -0.00 0.42 -0.20 -0.89 0.00 0.00 0.00 175.10 174.42 2ijx s THR 237 N 0.30 1.62 -0.07 3.92 2.01 -0.55 -0.92 115.64 121.95 2ijx s THR 237 Ca -0.10 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.09 2ijx s THR 237 Cb -0.14 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 2ijx s THR 237 CO 0.04 0.46 -0.24 -0.47 -0.69 0.00 0.00 174.62 173.72 2ijx s TYR 238 N -0.35 2.37 -0.12 4.92 5.04 -0.19 -1.39 117.35 127.63 2ijx s TYR 238 Ca 0.04 -0.77 0.02 0.00 -2.44 0.00 0.00 57.07 53.92 2ijx s TYR 238 Cb -0.09 -1.57 0.01 0.00 0.35 0.00 0.00 41.96 40.67 2ijx s TYR 238 CO 0.00 -0.26 -0.18 -1.17 -1.34 0.00 0.00 175.55 172.60 2ijx s LEU 239 N 0.00 1.86 -0.12 6.97 2.96 -0.32 -0.59 118.68 129.43 2ijx s LEU 239 Ca -0.08 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 2ijx s LEU 239 Cb -0.15 -1.21 0.02 0.00 0.50 0.00 0.00 46.19 45.36 2ijx s LEU 239 CO 0.05 0.05 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.77 2ijx s LEU 240 N 0.88 1.61 0.54 -0.68 2.96 0.19 -1.85 118.68 122.32 2ijx s LEU 240 Ca -0.08 -0.42 -0.22 0.00 -0.22 0.00 0.00 54.13 53.20 2ijx s LEU 240 Cb -0.15 -1.06 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 2ijx s LEU 240 CO -0.01 -0.03 1.34 0.00 -1.32 0.00 0.00 176.35 176.32 2ijx s ALA 241 N 1.28 2.83 0.70 5.97 0.00 -0.55 -0.98 121.76 131.01 2ijx s ALA 241 Ca -0.01 1.29 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 2ijx s ALA 241 Cb -0.14 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.46 2ijx s ALA 241 CO -0.06 -1.30 1.17 -1.25 0.00 0.00 0.00 175.76 174.33 2ijx s PRO 242 N -2.89 2.38 -0.19 0.00 0.04 -1.26 -4.67 135.00 128.40 2ijx s PRO 242 Ca 0.71 1.62 -0.24 0.00 0.04 0.00 0.00 61.00 63.13 2ijx s PRO 242 Cb -0.39 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2ijx s PRO 242 CO 0.46 -1.62 0.79 0.21 0.04 0.00 0.00 177.00 176.87 2ijx s LYS 243 N -3.97 4.25 0.00 4.56 2.20 0.16 -4.96 119.74 121.97 2ijx s LYS 243 Ca 0.72 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 57.23 2ijx s LYS 243 Cb -0.26 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 2ijx s LYS 243 CO 0.44 -0.36 0.00 1.55 -0.36 0.00 0.00 175.35 176.62