#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 0.16 0.01 2.12 2.20 0.16 -1.24 119.74 123.14 2ijx s LYS 2 Ca 0.00 0.65 0.04 0.00 -0.36 0.00 0.00 55.97 56.30 2ijx s LYS 2 Cb 0.00 -0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.22 2ijx s LYS 2 CO 0.00 -0.24 -0.12 0.08 -0.36 0.00 0.00 175.35 174.71 2ijx s VAL 3 N 1.98 0.92 -0.05 4.02 1.01 0.22 -0.36 120.40 128.14 2ijx s VAL 3 Ca -0.03 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 2ijx s VAL 3 Cb -0.11 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.49 2ijx s VAL 3 CO -0.08 0.12 -0.01 -0.69 0.00 0.00 0.00 175.10 174.44 2ijx s VAL 4 N -0.53 0.35 -0.02 2.92 1.01 -0.14 -0.50 120.40 123.49 2ijx s VAL 4 Ca 0.02 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.12 2ijx s VAL 4 Cb -0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 2ijx s VAL 4 CO 0.00 0.21 -0.22 -0.47 0.00 0.00 0.00 175.10 174.63 2ijx s TYR 5 N 1.38 2.46 -1.50 5.22 5.04 -0.43 -1.00 117.35 128.52 2ijx s TYR 5 Ca -0.04 -0.33 0.29 0.00 -2.44 0.00 0.00 57.07 54.55 2ijx s TYR 5 Cb -0.13 -1.53 1.30 0.00 0.35 0.00 0.00 41.96 41.95 2ijx s TYR 5 CO -0.02 0.07 1.91 -0.40 -1.34 0.00 0.00 175.55 175.77 2ijx n ASP 6 N 2.27 0.28 -3.46 4.32 5.68 -1.26 -1.15 116.55 123.22 2ijx n ASP 6 Ca -0.16 -0.34 -0.24 0.00 -0.50 0.00 0.00 54.79 53.55 2ijx n ASP 6 Cb 0.52 -0.16 -0.12 0.00 -1.14 0.00 0.00 41.12 40.22 2ijx n ASP 6 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2ijx s ASP 7 N -2.57 2.54 0.59 -1.12 -1.08 -1.25 -3.95 116.67 109.83 2ijx s ASP 7 Ca 0.27 -1.30 0.29 0.00 -0.52 0.00 0.00 52.55 51.29 2ijx s ASP 7 Cb 0.20 0.04 1.70 0.00 -1.46 0.00 0.00 42.92 43.40 2ijx s ASP 7 CO 0.48 -0.38 2.15 1.62 0.52 0.00 0.00 175.17 179.56 2ijx h VAL 8 N 5.96 0.50 0.00 1.11 3.04 -1.36 -2.45 116.25 123.05 2ijx h VAL 8 Ca -0.10 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.53 2ijx h VAL 8 Cb 1.03 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.19 2ijx h VAL 8 CO 0.35 0.00 -0.25 0.03 -1.01 0.00 0.00 177.57 176.68 2ijx h ARG 9 N 0.00 0.00 -0.05 4.17 3.08 -1.84 -1.00 114.38 118.74 2ijx h ARG 9 Ca 0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2ijx h ARG 9 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2ijx h ARG 9 CO -0.00 0.25 0.02 0.28 -1.07 0.00 0.00 179.97 179.45 2ijx h VAL 10 N 0.00 1.12 -0.72 2.04 2.07 -1.85 -0.31 116.25 118.60 2ijx h VAL 10 Ca -0.00 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2ijx h VAL 10 Cb 0.45 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2ijx h VAL 10 CO 0.03 0.10 0.29 -0.07 0.02 0.00 0.00 177.57 177.95 2ijx h LEU 11 N -0.06 0.98 -0.61 2.57 3.38 -1.58 -2.33 115.31 117.66 2ijx h LEU 11 Ca 0.02 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2ijx h LEU 11 Cb 0.14 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 2ijx h LEU 11 CO -0.00 0.87 0.33 0.50 0.09 0.00 0.00 178.44 180.23 2ijx h LYS 12 N 1.05 0.61 -0.08 1.13 3.11 -0.91 -0.15 116.57 121.33 2ijx h LYS 12 Ca 0.24 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 58.00 2ijx h LYS 12 Cb 0.19 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.27 2ijx h LYS 12 CO -0.02 0.41 -0.16 -0.44 -2.81 0.00 0.00 179.45 176.42 2ijx h ASP 13 N 0.63 0.11 0.03 4.20 3.32 -0.54 0.37 116.42 124.55 2ijx h ASP 13 Ca 0.27 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 2ijx h ASP 13 Cb 0.14 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2ijx h ASP 13 CO -0.16 0.29 -0.17 0.40 -1.72 0.00 0.00 179.24 177.88 2ijx h ILE 14 N 0.12 1.73 0.00 0.35 2.04 -1.01 -3.34 117.51 117.40 2ijx h ILE 14 Ca 0.02 -2.35 -0.08 0.00 1.00 0.00 0.00 64.86 63.45 2ijx h ILE 14 Cb 0.37 3.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.76 2ijx h ILE 14 CO 0.02 0.62 -0.38 0.40 0.00 0.00 0.00 178.15 178.81 2ijx h ILE 15 N -0.85 1.24 -0.94 -0.67 1.08 -0.92 -2.63 117.51 113.83 2ijx h ILE 15 Ca -0.03 -1.33 0.10 0.00 -0.39 0.00 0.00 64.86 63.21 2ijx h ILE 15 Cb 1.12 1.72 -0.08 0.00 -3.07 0.00 0.00 36.82 36.51 2ijx h ILE 15 CO 0.03 0.38 0.58 -0.61 -0.69 0.00 0.00 178.15 177.84 2ijx h GLN 16 N 0.00 0.93 -0.54 2.37 4.15 -1.05 0.12 115.11 121.09 2ijx h GLN 16 Ca -0.00 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 2ijx h GLN 16 Cb 0.69 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 2ijx h GLN 16 CO 0.05 0.61 0.23 0.00 -1.93 0.00 0.00 178.83 177.80 2ijx h ALA 17 N 1.49 0.71 -0.38 3.38 0.00 -1.58 -3.05 119.26 119.83 2ijx h ALA 17 Ca 0.45 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 2ijx h ALA 17 Cb 0.39 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ijx h ALA 17 CO -0.24 0.30 -0.02 1.25 0.00 0.00 0.00 179.25 180.54 2ijx h LEU 18 N 0.74 0.58 -1.38 0.00 5.85 -1.15 -3.28 115.31 116.66 2ijx h LEU 18 Ca 0.18 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2ijx h LEU 18 Cb 0.17 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2ijx h LEU 18 CO -0.02 0.66 0.34 0.00 -0.34 0.00 0.00 178.44 179.08 2ijx h ALA 19 N 1.41 1.54 0.00 1.25 0.00 -0.70 -0.24 119.26 122.52 2ijx h ALA 19 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ijx h ALA 19 Cb 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2ijx h ALA 19 CO 0.02 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.67 2ijx h ARG 20 N 0.77 0.00 0.05 0.00 2.47 -1.64 -3.37 114.38 112.67 2ijx h ARG 20 Ca 0.20 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.55 2ijx h ARG 20 Cb -0.03 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.24 2ijx h ARG 20 CO -0.04 0.00 -2.25 1.28 0.56 0.00 0.00 179.97 179.52 2ijx n LEU 21 N -2.36 2.70 -3.96 3.04 4.77 -0.15 -5.00 117.00 116.04 2ijx n LEU 21 Ca 0.04 0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 2ijx n LEU 21 Cb 0.34 -0.93 -0.10 0.00 -2.33 0.00 0.00 43.42 40.39 2ijx n LEU 21 CO 0.26 0.88 -0.29 0.68 -1.33 0.00 0.00 177.39 177.58 2ijx s VAL 22 N -2.54 0.13 0.13 4.08 -7.23 -0.91 -2.14 120.40 111.91 2ijx s VAL 22 Ca -0.28 -1.04 -0.09 0.00 -1.81 0.00 0.00 61.98 58.76 2ijx s VAL 22 Cb 0.08 -0.62 -0.13 0.00 0.56 0.00 0.00 36.38 36.27 2ijx s VAL 22 CO 0.68 -0.57 1.36 0.44 -0.31 0.00 0.00 175.10 176.70 2ijx h ASP 23 N 4.14 0.82 -5.03 4.85 3.32 -1.88 -3.43 116.42 119.20 2ijx h ASP 23 Ca -0.32 -0.53 -0.15 0.00 0.02 0.00 0.00 57.03 56.05 2ijx h ASP 23 Cb 1.19 -0.24 -0.19 0.00 0.22 0.00 0.00 39.33 40.30 2ijx h ASP 23 CO 0.47 1.31 -0.60 -1.61 -1.72 0.00 0.00 179.24 177.09 2ijx s GLU 24 N -3.76 0.45 0.32 3.56 2.02 -1.26 -1.73 118.70 118.30 2ijx s GLU 24 Ca -0.09 -0.65 -0.14 0.00 0.02 0.00 0.00 54.97 54.11 2ijx s GLU 24 Cb 0.09 0.17 0.02 0.00 0.10 0.00 0.00 34.13 34.52 2ijx s GLU 24 CO 0.89 -0.10 0.65 0.00 0.02 0.00 0.00 175.26 176.72 2ijx s ALA 25 N -1.96 -0.52 -0.08 5.21 0.00 -0.81 -4.92 121.76 118.68 2ijx s ALA 25 Ca -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2ijx s ALA 25 Cb -0.05 0.89 0.02 0.00 0.00 0.00 0.00 23.12 23.98 2ijx s ALA 25 CO -0.02 -0.94 -0.06 0.08 0.00 0.00 0.00 175.76 174.82 2ijx s VAL 26 N -3.25 0.81 -0.25 0.00 1.01 -1.26 -1.30 120.40 116.16 2ijx s VAL 26 Ca 0.18 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 2ijx s VAL 26 Cb -0.04 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 2ijx s VAL 26 CO 0.11 0.31 0.45 -0.76 0.00 0.00 0.00 175.10 175.22 2ijx s LEU 27 N 1.44 4.07 -0.40 3.92 1.43 0.14 -4.50 118.68 124.78 2ijx s LEU 27 Ca -0.01 0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 2ijx s LEU 27 Cb -0.13 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.56 2ijx s LEU 27 CO -0.04 -0.21 0.25 -0.54 0.23 0.00 0.00 176.35 176.04 2ijx s LYS 28 N 2.04 2.84 -0.32 1.70 1.02 -0.01 0.12 119.74 127.13 2ijx s LYS 28 Ca 0.19 -1.14 -0.25 0.00 0.02 0.00 0.00 55.97 54.79 2ijx s LYS 28 Cb -0.16 -3.83 0.01 0.00 -0.52 0.00 0.00 37.83 33.33 2ijx s LYS 28 CO 0.09 -0.77 0.87 -0.06 -0.92 0.00 0.00 175.35 174.56 2ijx s PHE 29 N 1.58 3.17 0.49 3.18 0.40 0.11 -0.68 117.98 126.23 2ijx s PHE 29 Ca 0.03 0.88 0.05 0.00 -0.60 0.00 0.00 56.93 57.28 2ijx s PHE 29 Cb -0.20 -3.38 -0.01 0.00 0.51 0.00 0.00 43.02 39.94 2ijx s PHE 29 CO 0.07 -0.65 0.19 0.15 0.70 0.00 0.00 175.22 175.68 2ijx s LYS 30 N 3.18 2.21 0.26 0.44 1.02 0.09 -0.58 119.74 126.36 2ijx s LYS 30 Ca 0.36 -2.10 -0.02 0.00 0.02 0.00 0.00 55.97 54.22 2ijx s LYS 30 Cb -0.13 -1.86 0.50 0.00 -0.52 0.00 0.00 37.83 35.82 2ijx s LYS 30 CO 0.14 -0.37 1.75 1.96 -0.92 0.00 0.00 175.35 177.91 2ijx h GLN 31 N 1.18 0.54 -0.01 1.68 1.08 -1.87 -3.23 115.11 114.48 2ijx h GLN 31 Ca -0.41 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 2ijx h GLN 31 Cb 1.29 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 2ijx h GLN 31 CO 0.68 0.36 -0.14 -0.25 -0.95 0.00 0.00 178.83 178.52 2ijx n ASP 32 N -4.92 1.14 -3.67 1.46 8.00 -1.26 -4.92 116.55 112.39 2ijx n ASP 32 Ca 0.16 -1.07 -0.00 0.00 0.71 0.00 0.00 54.79 54.58 2ijx n ASP 32 Cb 0.43 0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 41.93 2ijx n ASP 32 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2ijx s SER 33 N -1.10 -0.10 -0.17 -2.24 1.04 -1.22 -0.94 113.70 108.97 2ijx s SER 33 Ca 0.07 -0.25 -0.04 0.00 0.48 0.00 0.00 55.95 56.21 2ijx s SER 33 Cb 0.06 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 2ijx s SER 33 CO 0.18 -0.54 -0.03 -0.69 0.98 0.00 0.00 173.24 173.14 2ijx s VAL 34 N -2.74 3.86 0.07 5.02 1.01 -0.04 -0.73 120.40 126.85 2ijx s VAL 34 Ca 0.14 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.85 2ijx s VAL 34 Cb 0.02 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2ijx s VAL 34 CO -0.01 0.47 -0.25 -1.61 0.00 0.00 0.00 175.10 173.70 2ijx s GLU 35 N 0.57 1.73 -0.05 2.72 2.02 0.14 -0.38 118.70 125.45 2ijx s GLU 35 Ca -0.02 -1.16 -0.03 0.00 0.02 0.00 0.00 54.97 53.77 2ijx s GLU 35 Cb -0.14 -1.99 0.03 0.00 0.10 0.00 0.00 34.13 32.12 2ijx s GLU 35 CO 0.02 0.50 0.13 -1.17 0.02 0.00 0.00 175.26 174.76 2ijx s LEU 36 N -1.53 1.12 -0.03 1.80 0.20 -0.51 -0.83 118.68 118.90 2ijx s LEU 36 Ca 0.13 0.26 0.02 0.00 0.69 0.00 0.00 54.13 55.23 2ijx s LEU 36 Cb -0.10 0.36 0.01 0.00 -0.43 0.00 0.00 46.19 46.03 2ijx s LEU 36 CO 0.04 -0.10 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.24 2ijx s VAL 37 N 0.66 0.63 -0.09 1.68 1.01 -1.26 -0.39 120.40 122.64 2ijx s VAL 37 Ca -0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2ijx s VAL 37 Cb -0.07 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.76 2ijx s VAL 37 CO -0.03 0.22 0.21 0.00 0.00 0.00 0.00 175.10 175.50 2ijx s ALA 38 N 0.44 -0.48 -0.16 5.51 0.00 -0.13 -4.83 121.76 122.11 2ijx s ALA 38 Ca -0.06 0.76 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 2ijx s ALA 38 Cb -0.10 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 2ijx s ALA 38 CO 0.00 -0.15 0.17 -0.51 0.00 0.00 0.00 175.76 175.27 2ijx s LEU 39 N 0.75 4.29 1.07 0.00 1.43 -1.26 -0.85 118.68 124.11 2ijx s LEU 39 Ca -0.05 0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.31 2ijx s LEU 39 Cb -0.07 -2.14 0.23 0.00 0.03 0.00 0.00 46.19 44.24 2ijx s LEU 39 CO -0.04 0.26 1.06 1.51 0.23 0.00 0.00 176.35 179.37 2ijx s ASP 40 N -0.20 1.82 0.56 2.29 -4.77 -0.22 -4.82 116.67 111.33 2ijx s ASP 40 Ca 0.12 1.52 0.29 0.00 -3.30 0.00 0.00 52.55 51.18 2ijx s ASP 40 Cb -0.12 -2.22 1.65 0.00 -1.09 0.00 0.00 42.92 41.14 2ijx s ASP 40 CO 0.02 -3.68 2.17 0.08 0.70 0.00 0.00 175.17 174.46 2ijx h ARG 41 N -2.27 0.00 -0.01 2.11 0.11 -1.79 -0.65 114.38 111.89 2ijx h ARG 41 Ca -0.57 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.51 2ijx h ARG 41 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2ijx h ARG 41 CO 0.51 0.06 -0.16 0.00 0.10 0.00 0.00 179.97 180.48 2ijx n ALA 42 N -2.30 2.88 -2.80 0.08 0.00 -1.26 -4.95 120.51 112.15 2ijx n ALA 42 Ca -0.02 -0.50 -0.19 0.00 0.00 0.00 0.00 53.44 52.73 2ijx n ALA 42 Cb 0.15 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 0.05 -1.52 -0.02 0.00 8.25 -0.25 -4.91 115.22 116.82 2ijx n HIS 43 Ca 0.14 0.36 0.03 0.00 -0.26 0.00 0.00 57.72 57.99 2ijx n HIS 43 Cb 0.41 -3.90 -0.13 0.00 1.12 0.00 0.00 29.99 27.48 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 -4.27 0.71 -4.01 1.59 5.41 -1.26 -4.97 119.36 112.55 2ijx n ILE 44 Ca -0.12 -0.65 -0.09 0.00 1.00 0.00 0.00 62.75 62.89 2ijx n ILE 44 Cb 0.61 -0.32 -0.08 0.00 -0.71 0.00 0.00 39.64 39.14 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 -5.14 0.16 -0.11 4.38 1.04 -1.26 -1.71 113.70 111.06 2ijx s SER 45 Ca -0.07 -0.96 -0.06 0.00 0.48 0.00 0.00 55.95 55.35 2ijx s SER 45 Cb 0.10 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.64 2ijx s SER 45 CO 0.86 -0.81 0.25 -0.22 0.98 0.00 0.00 173.24 174.30 2ijx s LEU 46 N -2.98 0.41 -0.04 2.42 2.96 -0.62 -1.06 118.68 119.77 2ijx s LEU 46 Ca 0.17 0.54 0.05 0.00 -0.22 0.00 0.00 54.13 54.67 2ijx s LEU 46 Cb 0.05 0.76 -0.02 0.00 0.50 0.00 0.00 46.19 47.48 2ijx s LEU 46 CO -0.01 -0.16 -0.18 -0.51 -1.32 0.00 0.00 176.35 174.16 2ijx s ILE 47 N 1.23 2.76 -0.04 6.68 2.07 -0.03 -0.68 121.20 133.19 2ijx s ILE 47 Ca -0.09 -0.84 0.01 0.00 -1.41 0.00 0.00 60.65 58.32 2ijx s ILE 47 Cb -0.10 -2.05 0.02 0.00 0.13 0.00 0.00 42.46 40.46 2ijx s ILE 47 CO -0.08 0.59 -0.03 -0.55 -1.91 0.00 0.00 174.94 172.95 2ijx s SER 48 N -0.65 0.75 -0.03 4.50 0.15 -0.54 -0.96 113.70 116.92 2ijx s SER 48 Ca 0.10 -0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.70 2ijx s SER 48 Cb -0.11 -0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 63.84 2ijx s SER 48 CO 0.00 -0.05 -0.17 -0.69 1.20 0.00 0.00 173.24 173.52 2ijx s VAL 49 N 0.84 1.43 -0.07 4.45 1.01 0.48 -1.15 120.40 127.39 2ijx s VAL 49 Ca -0.10 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2ijx s VAL 49 Cb -0.13 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.06 2ijx s VAL 49 CO -0.00 0.41 -0.03 0.21 0.00 0.00 0.00 175.10 175.69 2ijx s ASN 50 N -0.13 1.57 -0.33 3.32 3.84 -0.51 -1.42 114.94 121.29 2ijx s ASN 50 Ca 0.00 -0.14 0.01 0.00 0.21 0.00 0.00 52.86 52.94 2ijx s ASN 50 Cb -0.10 -0.53 0.08 0.00 -0.55 0.00 0.00 41.25 40.15 2ijx s ASN 50 CO 0.01 -0.14 0.03 -0.76 -2.79 0.00 0.00 177.10 173.45 2ijx s LEU 51 N 1.67 4.36 0.49 3.21 1.43 0.49 -1.08 118.68 129.25 2ijx s LEU 51 Ca 0.01 -1.75 -0.23 0.00 -1.03 0.00 0.00 54.13 51.13 2ijx s LEU 51 Cb -0.13 -1.67 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 2ijx s LEU 51 CO -0.05 -0.34 1.30 -2.16 0.23 0.00 0.00 176.35 175.33 2ijx s PRO 52 N 1.08 3.50 0.47 1.29 0.04 -1.26 -0.86 135.00 139.26 2ijx s PRO 52 Ca 0.02 2.11 0.20 0.00 0.04 0.00 0.00 61.00 63.37 2ijx s PRO 52 Cb -0.20 -2.42 1.20 0.00 0.04 0.00 0.00 34.50 33.12 2ijx s PRO 52 CO -0.05 -0.86 1.93 -0.09 0.04 0.00 0.00 177.00 177.97 2ijx h ARG 53 N 1.91 0.24 0.00 4.56 2.43 -1.39 -1.78 114.38 120.35 2ijx h ARG 53 Ca -0.50 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2ijx h ARG 53 Cb 1.27 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2ijx h ARG 53 CO 0.59 0.16 0.00 0.93 -1.51 0.00 0.00 179.97 180.14 2ijx h GLU 54 N 0.25 0.00 -0.00 0.20 4.39 -1.89 -1.84 114.58 115.69 2ijx h GLU 54 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 2ijx h GLU 54 Cb 1.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2ijx h GLU 54 CO -0.08 0.00 -0.04 0.00 -1.16 0.00 0.00 179.01 177.73 2ijx n MET 55 N -2.73 0.09 -3.59 2.33 0.00 -0.67 -4.86 117.12 107.69 2ijx n MET 55 Ca -0.01 -0.01 -0.37 0.00 0.00 0.00 0.00 57.70 57.31 2ijx n MET 55 Cb 0.12 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.78 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 -2.92 3.68 0.18 3.17 0.40 -0.70 -4.75 117.98 117.05 2ijx s PHE 56 Ca 0.17 0.86 -0.10 0.00 -0.60 0.00 0.00 56.93 57.25 2ijx s PHE 56 Cb 0.19 -2.19 0.10 0.00 0.51 0.00 0.00 43.02 41.63 2ijx s PHE 56 CO 0.53 0.64 1.73 -0.22 0.70 0.00 0.00 175.22 178.60 2ijx h LYS 57 N 4.58 1.01 -3.97 0.44 3.64 -1.38 -3.44 116.57 117.44 2ijx h LYS 57 Ca -0.52 -0.20 -0.29 0.00 -1.27 0.00 0.00 60.65 58.37 2ijx h LYS 57 Cb 1.22 -0.15 -0.29 0.00 -0.41 0.00 0.00 32.23 32.59 2ijx h LYS 57 CO 0.62 0.86 -0.74 -2.00 -2.27 0.00 0.00 179.45 175.92 2ijx s GLU 58 N -5.46 0.22 -0.31 1.90 2.12 -1.10 -4.97 118.70 111.10 2ijx s GLU 58 Ca -0.13 -0.07 -0.00 0.00 0.36 0.00 0.00 54.97 55.14 2ijx s GLU 58 Cb 0.14 -0.25 0.14 0.00 0.26 0.00 0.00 34.13 34.41 2ijx s GLU 58 CO 0.82 0.03 0.29 -0.47 -0.54 0.00 0.00 175.26 175.38 2ijx s TYR 59 N 0.11 -0.30 -0.35 5.30 5.04 -1.26 -0.97 117.35 124.92 2ijx s TYR 59 Ca -0.01 -0.43 0.03 0.00 -2.44 0.00 0.00 57.07 54.22 2ijx s TYR 59 Cb -0.03 -0.52 0.10 0.00 0.35 0.00 0.00 41.96 41.87 2ijx s TYR 59 CO -0.00 -0.92 0.08 0.34 -1.34 0.00 0.00 175.55 173.71 2ijx s ASP 60 N 2.11 4.51 -0.06 4.32 2.15 0.51 -5.02 116.67 125.18 2ijx s ASP 60 Ca 0.11 -2.09 -0.00 0.00 0.43 0.00 0.00 52.55 51.00 2ijx s ASP 60 Cb -0.15 -1.40 0.03 0.00 -0.30 0.00 0.00 42.92 41.09 2ijx s ASP 60 CO -0.26 -0.38 -0.02 -0.69 -0.17 0.00 0.00 175.17 173.65 2ijx s VAL 61 N 1.00 0.46 0.00 1.11 1.01 -1.26 -0.67 120.40 122.05 2ijx s VAL 61 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2ijx s VAL 61 Cb -0.19 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2ijx s VAL 61 CO -0.12 0.25 0.33 -3.20 0.00 0.00 0.00 175.10 172.37 2ijx n ASN 62 N 4.75 0.00 0.00 3.32 4.05 -1.26 -4.82 115.26 121.30 2ijx n ASN 62 Ca -0.14 0.47 0.00 0.00 0.45 0.00 0.00 54.58 55.36 2ijx n ASN 62 Cb 0.50 -0.24 0.00 0.00 1.23 0.00 0.00 39.78 41.27 2ijx n ASN 62 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2ijx n ASP 63 N -1.22 0.00 -4.21 1.20 2.03 -1.26 -4.85 116.55 108.24 2ijx n ASP 63 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 2ijx n ASP 63 Cb 0.00 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 2ijx n ASP 63 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2ijx s GLU 64 N 0.00 1.47 -0.13 -0.67 2.12 -1.26 -3.41 118.70 116.82 2ijx s GLU 64 Ca 0.00 -0.78 -0.00 0.00 0.36 0.00 0.00 54.97 54.55 2ijx s GLU 64 Cb 0.00 -1.48 0.02 0.00 0.26 0.00 0.00 34.13 32.93 2ijx s GLU 64 CO 0.00 0.40 -0.11 0.12 -0.54 0.00 0.00 175.26 175.13 2ijx s PHE 65 N -0.59 1.84 -0.34 5.30 5.36 0.25 -4.98 117.98 124.83 2ijx s PHE 65 Ca 0.07 -1.00 -0.16 0.00 -0.96 0.00 0.00 56.93 54.89 2ijx s PHE 65 Cb -0.08 -1.42 -0.01 0.00 -0.34 0.00 0.00 43.02 41.17 2ijx s PHE 65 CO 0.00 -0.60 0.38 0.15 -1.46 0.00 0.00 175.22 173.70 2ijx s LYS 66 N 1.59 3.60 -0.47 10.12 1.02 -1.26 0.09 119.74 134.43 2ijx s LYS 66 Ca 0.05 -0.36 -0.14 0.00 0.02 0.00 0.00 55.97 55.54 2ijx s LYS 66 Cb -0.13 -3.80 0.09 0.00 -0.52 0.00 0.00 37.83 33.47 2ijx s LYS 66 CO -0.09 -0.53 0.38 0.12 -0.92 0.00 0.00 175.35 174.31 2ijx s PHE 67 N 2.07 3.27 -0.07 3.18 5.36 0.12 -4.93 117.98 126.98 2ijx s PHE 67 Ca 0.13 -1.15 -0.12 0.00 -0.96 0.00 0.00 56.93 54.83 2ijx s PHE 67 Cb -0.16 -3.25 -0.05 0.00 -0.34 0.00 0.00 43.02 39.22 2ijx s PHE 67 CO 0.12 -0.85 0.29 0.20 -1.46 0.00 0.00 175.22 173.51 2ijx s GLY 68 N 2.68 2.32 0.08 13.12 0.00 -1.24 -0.68 107.32 123.60 2ijx s GLY 68 Ca 0.04 -0.41 -0.14 0.00 0.00 0.00 0.00 44.72 44.20 2ijx s GLY 68 CO 0.05 -0.01 0.33 -0.11 0.00 0.00 0.00 173.10 173.36 2ijx s PHE 69 N -0.84 -0.11 -0.17 1.90 -0.12 -0.42 -1.34 117.98 116.89 2ijx s PHE 69 Ca 0.19 -0.14 -0.28 0.00 -0.05 0.00 0.00 56.93 56.66 2ijx s PHE 69 Cb -0.14 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.38 2ijx s PHE 69 CO 0.08 -0.59 0.97 1.21 -0.05 0.00 0.00 175.22 176.84 2ijx s ASN 70 N -2.48 7.11 0.19 1.98 2.47 -1.26 -1.92 114.94 121.03 2ijx s ASN 70 Ca -0.00 1.38 -0.09 0.00 0.42 0.00 0.00 52.86 54.57 2ijx s ASN 70 Cb 0.01 -2.52 0.11 0.00 -1.45 0.00 0.00 41.25 37.40 2ijx s ASN 70 CO -0.08 -0.51 1.71 0.00 -3.72 0.00 0.00 177.10 174.50 2ijx h THR 71 N 5.24 1.26 -0.80 -5.21 1.03 -1.61 -0.61 112.91 112.22 2ijx h THR 71 Ca -0.26 -0.95 -0.02 0.00 -0.01 0.00 0.00 66.41 65.16 2ijx h THR 71 Cb 1.11 0.56 -0.04 0.00 -1.07 0.00 0.00 68.15 68.71 2ijx h THR 71 CO 0.89 0.36 0.41 1.56 -0.01 0.00 0.00 175.52 178.73 2ijx h GLN 72 N 1.03 1.14 -0.22 0.00 1.08 -1.89 -1.36 115.11 114.90 2ijx h GLN 72 Ca 0.22 -0.15 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 2ijx h GLN 72 Cb 0.36 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2ijx h GLN 72 CO 0.00 0.86 -0.11 -0.92 -0.95 0.00 0.00 178.83 177.72 2ijx h TYR 73 N 1.12 0.54 -0.40 2.96 3.20 -1.86 -2.24 116.97 120.29 2ijx h TYR 73 Ca 0.28 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 2ijx h TYR 73 Cb 0.08 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2ijx h TYR 73 CO 0.01 0.75 0.25 1.25 -1.64 0.00 0.00 178.16 178.77 2ijx h LEU 74 N 0.18 0.47 -0.93 2.82 5.85 -1.02 -1.90 115.31 120.78 2ijx h LEU 74 Ca 0.05 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2ijx h LEU 74 Cb 0.60 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2ijx h LEU 74 CO 0.03 0.36 0.49 0.24 -0.34 0.00 0.00 178.44 179.22 2ijx h MET 75 N 0.55 1.25 -0.44 1.25 2.86 -0.92 0.68 114.93 120.15 2ijx h MET 75 Ca 0.15 -0.14 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2ijx h MET 75 Cb -0.03 -0.25 -0.05 0.00 0.06 0.00 0.00 31.60 31.34 2ijx h MET 75 CO -0.03 0.91 0.16 -0.22 1.06 0.00 0.00 176.91 178.79 2ijx h LYS 76 N 1.25 0.32 -0.19 1.72 3.11 -0.77 0.25 116.57 122.28 2ijx h LYS 76 Ca 0.32 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.13 2ijx h LYS 76 Cb 0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 2ijx h LYS 76 CO -0.05 0.21 0.07 0.82 -2.81 0.00 0.00 179.45 177.69 2ijx h ILE 77 N 0.33 1.16 0.00 2.00 2.04 -0.94 -3.05 117.51 119.06 2ijx h ILE 77 Ca 0.20 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2ijx h ILE 77 Cb 0.19 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2ijx h ILE 77 CO -0.20 0.16 -0.11 -0.07 0.00 0.00 0.00 178.15 177.92 2ijx h LEU 78 N 0.14 0.00 -0.11 1.44 3.38 -0.61 -2.85 115.31 116.71 2ijx h LEU 78 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2ijx h LEU 78 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2ijx h LEU 78 CO -0.00 0.11 -0.14 0.29 0.09 0.00 0.00 178.44 178.79 2ijx n LYS 79 N -3.25 0.36 -0.12 1.13 5.02 0.05 -4.42 118.16 116.94 2ijx n LYS 79 Ca 0.00 -0.11 -0.06 0.00 -2.02 0.00 0.00 58.31 56.13 2ijx n LYS 79 Cb 0.37 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.01 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 0.26 1.25 -3.44 -0.18 -1.51 -1.40 -3.41 116.25 107.83 2ijx h VAL 80 Ca 0.00 -1.11 -0.60 0.00 -1.23 0.00 0.00 66.70 63.77 2ijx h VAL 80 Cb 0.41 0.94 -0.10 0.00 -2.13 0.00 0.00 31.29 30.41 2ijx h VAL 80 CO 0.00 0.39 -0.08 0.00 -1.23 0.00 0.00 177.57 176.64 2ijx s ALA 81 N -4.90 3.53 -0.45 5.19 0.00 -1.26 -4.96 121.76 118.91 2ijx s ALA 81 Ca -0.10 -0.39 0.23 0.00 0.00 0.00 0.00 51.96 51.71 2ijx s ALA 81 Cb 0.14 -2.75 0.11 0.00 0.00 0.00 0.00 23.12 20.62 2ijx s ALA 81 CO 0.82 -0.34 1.11 1.63 0.00 0.00 0.00 175.76 178.98 2ijx n LYS 82 N 4.54 0.43 -4.63 0.00 4.76 -1.26 -4.87 118.16 117.12 2ijx n LYS 82 Ca -0.06 0.07 -0.32 0.00 -2.87 0.00 0.00 58.31 55.14 2ijx n LYS 82 Cb 0.51 -1.71 -0.07 0.00 -1.84 0.00 0.00 35.03 31.91 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 -3.26 2.18 -0.01 1.97 0.52 -1.26 -5.07 118.95 114.03 2ijx s ARG 83 Ca 0.02 -2.32 -0.30 0.00 -0.52 0.00 0.00 55.73 52.62 2ijx s ARG 83 Cb 0.12 -1.62 -0.07 0.00 0.52 0.00 0.00 34.95 33.90 2ijx s ARG 83 CO 0.77 -0.36 1.80 0.21 0.02 0.00 0.00 175.30 177.75 2ijx s LYS 84 N -3.91 4.16 -0.02 3.54 2.20 -1.26 -4.83 119.74 119.62 2ijx s LYS 84 Ca 0.12 2.40 -0.06 0.00 -0.36 0.00 0.00 55.97 58.07 2ijx s LYS 84 Cb 0.02 -4.05 0.01 0.00 -1.51 0.00 0.00 37.83 32.29 2ijx s LYS 84 CO 0.07 -0.89 0.13 -1.21 -0.36 0.00 0.00 175.35 173.09 2ijx s GLU 85 N 4.18 0.35 0.55 4.03 2.02 -1.26 -4.99 118.70 123.58 2ijx s GLU 85 Ca 0.81 -0.17 -0.18 0.00 0.02 0.00 0.00 54.97 55.45 2ijx s GLU 85 Cb -0.38 0.15 -0.06 0.00 0.10 0.00 0.00 34.13 33.94 2ijx s GLU 85 CO 0.35 -0.07 1.06 0.00 0.02 0.00 0.00 175.26 176.62 2ijx s ALA 86 N -0.80 2.79 -0.06 5.21 0.00 -1.10 -1.11 121.76 126.68 2ijx s ALA 86 Ca -0.09 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.44 2ijx s ALA 86 Cb -0.05 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.81 2ijx s ALA 86 CO 0.01 -0.61 -0.22 -1.50 0.00 0.00 0.00 175.76 173.44 2ijx s ILE 87 N -2.20 1.84 -0.13 0.00 2.07 -0.30 -1.08 121.20 121.39 2ijx s ILE 87 Ca 0.66 -0.93 -0.01 0.00 -1.41 0.00 0.00 60.65 58.96 2ijx s ILE 87 Cb -0.17 -1.57 -0.02 0.00 0.13 0.00 0.00 42.46 40.83 2ijx s ILE 87 CO 0.29 0.51 -0.10 -0.70 -1.91 0.00 0.00 174.94 173.03 2ijx s GLU 88 N 0.06 3.42 -0.14 3.50 2.12 -0.00 -1.32 118.70 126.33 2ijx s GLU 88 Ca -0.08 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 54.64 2ijx s GLU 88 Cb -0.14 -2.70 0.01 0.00 0.26 0.00 0.00 34.13 31.55 2ijx s GLU 88 CO 0.05 0.25 -0.21 0.42 -0.54 0.00 0.00 175.26 175.23 2ijx s ILE 89 N 0.27 2.15 0.04 -3.70 1.01 0.35 -1.06 121.20 120.26 2ijx s ILE 89 Ca -0.08 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 2ijx s ILE 89 Cb -0.15 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 2ijx s ILE 89 CO 0.05 0.54 0.05 0.00 0.00 0.00 0.00 174.94 175.58 2ijx s ALA 90 N 0.85 0.08 -0.15 9.38 0.00 -0.33 -0.61 121.76 130.97 2ijx s ALA 90 Ca -0.06 -0.70 -0.10 0.00 0.00 0.00 0.00 51.96 51.09 2ijx s ALA 90 Cb -0.15 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.26 2ijx s ALA 90 CO -0.02 -0.31 0.38 0.45 0.00 0.00 0.00 175.76 176.26 2ijx s SER 91 N -2.22 -0.45 0.00 0.00 0.15 -0.38 -0.56 113.70 110.25 2ijx s SER 91 Ca -0.04 0.81 0.07 0.00 0.70 0.00 0.00 55.95 57.49 2ijx s SER 91 Cb -0.00 0.74 0.01 0.00 -1.71 0.00 0.00 66.02 65.06 2ijx s SER 91 CO -0.05 -0.17 0.57 -0.62 1.20 0.00 0.00 173.24 174.17 2ijx n GLU 92 N 3.72 1.73 -3.98 5.44 -0.58 -1.26 -2.41 120.64 123.30 2ijx n GLU 92 Ca -0.20 -0.61 -0.16 0.00 -0.42 0.00 0.00 57.16 55.78 2ijx n GLU 92 Cb 0.56 -1.02 -0.15 0.00 -0.57 0.00 0.00 31.44 30.25 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 -0.96 0.38 0.64 1.62 0.15 -1.26 -5.05 113.70 109.22 2ijx s SER 93 Ca 0.06 -0.04 0.32 0.00 0.70 0.00 0.00 55.95 56.99 2ijx s SER 93 Cb 0.06 -0.14 1.74 0.00 -1.71 0.00 0.00 66.02 65.96 2ijx s SER 93 CO 0.15 -0.04 2.03 1.55 1.20 0.00 0.00 173.24 178.13 2ijx h PRO 94 N 6.72 0.00 -0.00 5.44 0.13 -2.02 -1.84 132.00 140.43 2ijx h PRO 94 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2ijx h PRO 94 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2ijx h PRO 94 CO 0.49 0.00 -0.17 -0.40 -0.23 0.00 0.00 178.00 177.69 2ijx n ASP 95 N -3.26 0.62 -3.95 1.44 5.68 -1.26 -4.61 116.55 111.21 2ijx n ASP 95 Ca 0.00 -0.61 -0.12 0.00 -0.50 0.00 0.00 54.79 53.56 2ijx n ASP 95 Cb 0.36 -0.01 -0.13 0.00 -1.14 0.00 0.00 41.12 40.21 2ijx n ASP 95 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2ijx s SER 96 N -2.53 0.32 0.02 -1.12 1.04 -0.69 -0.54 113.70 110.19 2ijx s SER 96 Ca 0.26 -0.27 0.06 0.00 0.48 0.00 0.00 55.95 56.47 2ijx s SER 96 Cb 0.20 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 2ijx s SER 96 CO 0.50 -0.12 -0.17 -0.69 0.98 0.00 0.00 173.24 173.74 2ijx s VAL 97 N -0.73 1.36 -0.14 5.02 1.01 -0.12 -4.44 120.40 122.36 2ijx s VAL 97 Ca -0.07 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2ijx s VAL 97 Cb -0.05 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 2ijx s VAL 97 CO -0.00 0.23 -0.16 -0.63 0.00 0.00 0.00 175.10 174.54 2ijx s ILE 98 N -0.62 2.67 -0.15 2.22 -1.09 0.28 -1.55 121.20 122.96 2ijx s ILE 98 Ca 0.06 -0.78 0.01 0.00 -2.23 0.00 0.00 60.65 57.71 2ijx s ILE 98 Cb -0.07 -2.11 0.00 0.00 -1.58 0.00 0.00 42.46 38.70 2ijx s ILE 98 CO 0.01 0.52 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.42 2ijx s ILE 99 N 0.67 2.37 -0.15 2.92 1.01 -0.22 -1.19 121.20 126.61 2ijx s ILE 99 Ca -0.08 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 2ijx s ILE 99 Cb -0.16 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 2ijx s ILE 99 CO 0.02 0.53 -0.09 0.20 0.00 0.00 0.00 174.94 175.60 2ijx s ASN 100 N 0.88 4.24 -0.30 3.58 -0.87 -0.22 -0.31 114.94 121.93 2ijx s ASN 100 Ca -0.05 -0.29 -0.10 0.00 -1.57 0.00 0.00 52.86 50.85 2ijx s ASN 100 Cb -0.15 -1.67 -0.02 0.00 -0.02 0.00 0.00 41.25 39.39 2ijx s ASN 100 CO -0.02 0.13 0.16 -0.63 -2.57 0.00 0.00 177.10 174.17 2ijx s ILE 101 N 0.56 4.78 -0.21 0.60 -1.09 0.33 -0.82 121.20 125.34 2ijx s ILE 101 Ca -0.06 -0.24 -0.02 0.00 -2.23 0.00 0.00 60.65 58.09 2ijx s ILE 101 Cb -0.15 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 2ijx s ILE 101 CO 0.03 0.14 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.17 2ijx s ILE 102 N 1.66 3.01 0.00 2.92 1.01 -0.24 -0.93 121.20 128.63 2ijx s ILE 102 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.05 2ijx s ILE 102 Cb -0.17 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.93 2ijx s ILE 102 CO 0.07 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.05 2ijx n GLY 103 N 4.74 -0.21 0.36 6.18 0.00 -1.26 -2.70 105.19 112.30 2ijx n GLY 103 Ca -0.19 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.90 -2.25 1.61 0.87 -1.94 -3.17 113.55 107.78 2ijx h SER 104 Ca 0.00 0.08 -0.63 0.00 -1.23 0.00 0.00 61.79 60.01 2ijx h SER 104 Cb 0.00 0.30 -0.14 0.00 -0.44 0.00 0.00 62.40 62.12 2ijx h SER 104 CO 0.00 -0.48 0.89 -0.89 -0.53 0.00 0.00 176.83 175.82 2ijx s THR 105 N -6.02 4.27 -0.24 2.23 2.01 -1.26 -5.01 115.64 111.62 2ijx s THR 105 Ca -0.17 -0.66 -0.13 0.00 0.31 0.00 0.00 61.69 61.05 2ijx s THR 105 Cb 0.06 -4.82 -0.05 0.00 0.01 0.00 0.00 72.50 67.70 2ijx s THR 105 CO 0.63 -1.63 0.26 0.21 -0.69 0.00 0.00 174.62 173.41 2ijx s ASN 106 N 3.92 6.20 -0.17 3.53 3.84 -1.20 -4.28 114.94 126.79 2ijx s ASN 106 Ca 0.32 0.22 -0.08 0.00 0.21 0.00 0.00 52.86 53.52 2ijx s ASN 106 Cb -0.09 -2.16 0.06 0.00 -0.55 0.00 0.00 41.25 38.52 2ijx s ASN 106 CO 0.02 -0.03 0.40 -0.13 -2.79 0.00 0.00 177.10 174.56 2ijx s ARG 107 N 1.41 0.36 -0.10 0.43 1.81 -0.11 -4.99 118.95 117.76 2ijx s ARG 107 Ca 0.12 0.82 -0.01 0.00 -1.72 0.00 0.00 55.73 54.94 2ijx s ARG 107 Cb -0.15 0.03 -0.03 0.00 -0.45 0.00 0.00 34.95 34.36 2ijx s ARG 107 CO 0.07 -0.18 -0.06 -2.00 -0.68 0.00 0.00 175.30 172.45 2ijx s GLU 108 N 1.64 3.14 -0.12 3.54 2.12 -1.26 -0.51 118.70 127.25 2ijx s GLU 108 Ca -0.08 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.72 2ijx s GLU 108 Cb -0.09 -2.71 0.02 0.00 0.26 0.00 0.00 34.13 31.60 2ijx s GLU 108 CO -0.12 0.48 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.86 2ijx s PHE 109 N -0.30 2.07 -0.24 5.30 0.40 0.58 -5.00 117.98 120.79 2ijx s PHE 109 Ca 0.04 -1.03 -0.04 0.00 -0.60 0.00 0.00 56.93 55.30 2ijx s PHE 109 Cb -0.13 -1.50 -0.00 0.00 0.51 0.00 0.00 43.02 41.90 2ijx s PHE 109 CO 0.02 -0.53 -0.01 -0.80 0.70 0.00 0.00 175.22 174.60 2ijx s ASN 110 N 1.09 4.53 0.07 1.36 0.01 -1.26 -1.06 114.94 119.67 2ijx s ASN 110 Ca -0.04 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.68 2ijx s ASN 110 Cb -0.14 -1.77 -0.03 0.00 0.41 0.00 0.00 41.25 39.71 2ijx s ASN 110 CO -0.04 -0.06 -0.12 0.68 -1.51 0.00 0.00 177.10 176.06 2ijx s VAL 111 N 1.48 0.90 0.24 1.60 -7.23 -0.59 -5.03 120.40 111.78 2ijx s VAL 111 Ca 0.05 -1.27 -0.30 0.00 -1.81 0.00 0.00 61.98 58.64 2ijx s VAL 111 Cb -0.15 -0.96 -0.09 0.00 0.56 0.00 0.00 36.38 35.74 2ijx s VAL 111 CO -0.02 -0.32 1.01 0.00 -0.31 0.00 0.00 175.10 175.46 2ijx s ARG 112 N -1.82 4.76 -0.48 4.82 1.70 -1.26 -0.94 118.95 125.72 2ijx s ARG 112 Ca -0.04 1.61 -0.28 0.00 -0.47 0.00 0.00 55.73 56.55 2ijx s ARG 112 Cb -0.09 -3.25 0.03 0.00 -0.57 0.00 0.00 34.95 31.06 2ijx s ARG 112 CO 0.01 0.37 1.10 1.21 -1.08 0.00 0.00 175.30 176.92 2ijx s ASN 113 N -0.94 6.60 0.29 -2.89 2.47 0.29 -4.81 114.94 115.94 2ijx s ASN 113 Ca 0.43 0.38 -0.29 0.00 0.42 0.00 0.00 52.86 53.80 2ijx s ASN 113 Cb -0.28 -2.53 -0.10 0.00 -1.45 0.00 0.00 41.25 36.89 2ijx s ASN 113 CO 0.35 -1.23 1.11 -0.76 -3.72 0.00 0.00 177.10 172.85 2ijx s LEU 114 N 4.36 4.53 -0.52 3.21 1.43 -0.45 -4.83 118.68 126.40 2ijx s LEU 114 Ca 0.46 2.29 -0.23 0.00 -1.03 0.00 0.00 54.13 55.62 2ijx s LEU 114 Cb -0.08 -3.65 0.04 0.00 0.03 0.00 0.00 46.19 42.54 2ijx s LEU 114 CO 0.31 -0.18 0.86 -0.70 0.23 0.00 0.00 176.35 176.86 2ijx s GLU 115 N -1.51 3.31 -0.18 1.70 2.56 -1.26 -3.62 118.70 119.71 2ijx s GLU 115 Ca 0.45 -0.34 -0.06 0.00 0.00 0.00 0.00 54.97 55.02 2ijx s GLU 115 Cb -0.32 -4.04 -0.04 0.00 2.00 0.00 0.00 34.13 31.73 2ijx s GLU 115 CO 0.41 -1.37 0.03 0.08 -0.56 0.00 0.00 175.26 173.85 2ijx s VAL 116 N 3.60 4.46 -0.18 3.70 1.01 -1.26 -5.05 120.40 126.68 2ijx s VAL 116 Ca 0.28 -0.15 -0.40 0.00 0.00 0.00 0.00 61.98 61.70 2ijx s VAL 116 Cb -0.14 -3.00 -0.17 0.00 0.00 0.00 0.00 36.38 33.07 2ijx s VAL 116 CO 0.19 0.46 1.51 -1.20 0.00 0.00 0.00 175.10 176.06 2ijx n SER 117 N 3.64 1.64 -4.68 3.32 7.64 -1.26 -4.88 113.62 119.04 2ijx n SER 117 Ca -0.17 1.12 -0.42 0.00 1.01 0.00 0.00 58.87 60.41 2ijx n SER 117 Cb 0.52 -1.08 -0.03 0.00 -1.01 0.00 0.00 64.21 62.62 2ijx n SER 117 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2ijx s GLU 118 N 2.11 4.22 0.01 1.43 8.01 -1.26 -4.98 118.70 128.25 2ijx s GLU 118 Ca 0.95 2.16 -0.18 0.00 0.01 0.00 0.00 54.97 57.90 2ijx s GLU 118 Cb -1.14 -3.68 -0.06 0.00 -4.31 0.00 0.00 34.13 24.94 2ijx s GLU 118 CO 0.62 -0.70 0.52 -1.14 0.01 0.00 0.00 175.26 174.57 2ijx s GLN 119 N 2.88 4.18 -0.30 1.61 0.74 -1.26 -5.03 119.66 122.48 2ijx s GLN 119 Ca 0.70 0.62 -0.26 0.00 0.05 0.00 0.00 55.36 56.47 2ijx s GLN 119 Cb -0.35 -3.28 0.01 0.00 1.10 0.00 0.00 33.01 30.48 2ijx s GLN 119 CO 0.29 0.52 0.91 -2.00 -0.55 0.00 0.00 175.29 174.47 2ijx s GLU 120 N -0.66 4.04 -0.22 1.67 2.56 -1.26 -5.01 118.70 119.83 2ijx s GLU 120 Ca 0.28 0.84 -0.12 0.00 0.00 0.00 0.00 54.97 55.97 2ijx s GLU 120 Cb -0.18 -3.72 -0.05 0.00 2.00 0.00 0.00 34.13 32.18 2ijx s GLU 120 CO 0.16 -0.74 0.20 0.42 -0.56 0.00 0.00 175.26 174.75 2ijx s ILE 121 N 3.20 5.34 0.63 -3.70 -1.09 -1.26 -5.06 121.20 119.27 2ijx s ILE 121 Ca 0.38 0.30 -0.18 0.00 -2.23 0.00 0.00 60.65 58.92 2ijx s ILE 121 Cb -0.14 -3.54 -0.02 0.00 -1.58 0.00 0.00 42.46 37.18 2ijx s ILE 121 CO 0.13 0.36 1.29 -2.84 -1.23 0.00 0.00 174.94 172.64 2ijx s PRO 122 N 0.86 2.65 -0.39 2.79 0.02 -1.26 -4.98 135.00 134.69 2ijx s PRO 122 Ca 0.10 2.04 -0.02 0.00 0.02 0.00 0.00 61.00 63.15 2ijx s PRO 122 Cb -0.13 -1.88 0.11 0.00 0.02 0.00 0.00 34.50 32.61 2ijx s PRO 122 CO 0.03 -1.52 0.17 -1.21 -0.33 0.00 0.00 177.00 174.15 2ijx s GLU 123 N -3.34 1.95 0.43 5.54 2.02 -1.26 -5.08 118.70 118.95 2ijx s GLU 123 Ca 0.81 -1.80 0.04 0.00 0.02 0.00 0.00 54.97 54.04 2ijx s GLU 123 Cb -0.37 -3.51 -0.05 0.00 0.10 0.00 0.00 34.13 30.31 2ijx s GLU 123 CO 0.39 -1.03 0.04 0.96 0.02 0.00 0.00 175.26 175.64 2ijx s ILE 124 N 1.11 1.34 0.00 -1.63 -4.36 -1.26 -5.13 121.20 111.27 2ijx s ILE 124 Ca 0.08 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 2ijx s ILE 124 Cb -0.22 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.91 2ijx s ILE 124 CO -0.05 0.00 0.00 -0.46 0.24 0.00 0.00 174.94 174.67 2ijx n ASN 125 N -1.06 0.00 -2.17 4.36 0.23 -1.26 -4.93 115.26 110.42 2ijx n ASN 125 Ca -0.09 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.84 2ijx n ASN 125 Cb 0.67 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.41 2ijx n ASN 125 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2ijx n LEU 126 N 0.00 -2.81 -4.31 -4.53 4.77 -1.26 -5.03 117.00 103.82 2ijx n LEU 126 Ca 0.00 -0.29 -0.40 0.00 -0.03 0.00 0.00 56.01 55.28 2ijx n LEU 126 Cb 0.00 -1.86 -0.11 0.00 -2.33 0.00 0.00 43.42 39.13 2ijx n LEU 126 CO 0.00 0.32 -0.13 -1.58 -1.33 0.00 0.00 177.39 174.67 2ijx s GLN 127 N -5.53 2.70 0.19 3.23 0.74 -1.26 -5.11 119.66 114.63 2ijx s GLN 127 Ca 0.26 -1.29 -0.01 0.00 0.05 0.00 0.00 55.36 54.36 2ijx s GLN 127 Cb -0.11 -3.75 -0.04 0.00 1.10 0.00 0.00 33.01 30.20 2ijx s GLN 127 CO 0.39 -0.84 0.38 -0.06 -0.55 0.00 0.00 175.29 174.61 2ijx s PHE 128 N 1.48 3.48 0.02 1.67 0.40 -1.26 -4.95 117.98 118.82 2ijx s PHE 128 Ca 0.02 0.37 0.10 0.00 -0.60 0.00 0.00 56.93 56.82 2ijx s PHE 128 Cb -0.21 -1.87 -0.20 0.00 0.51 0.00 0.00 43.02 41.25 2ijx s PHE 128 CO 0.04 0.40 1.00 -0.44 0.70 0.00 0.00 175.22 176.92 2ijx h ASP 129 N 2.17 0.00 -4.27 1.36 3.32 -1.45 -3.47 116.42 114.08 2ijx h ASP 129 Ca -0.48 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.38 2ijx h ASP 129 Cb 1.19 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.49 2ijx h ASP 129 CO 0.69 0.94 -0.67 -0.63 -1.72 0.00 0.00 179.24 177.86 2ijx s ILE 130 N -2.69 0.04 0.00 0.35 1.01 -0.82 -0.92 121.20 118.18 2ijx s ILE 130 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2ijx s ILE 130 Cb 0.09 -0.16 -0.00 0.00 0.01 0.00 0.00 42.46 42.40 2ijx s ILE 130 CO 0.82 -0.20 -0.00 -0.55 0.00 0.00 0.00 174.94 175.00 2ijx s SER 131 N -0.60 0.03 -0.06 3.58 0.15 -0.74 -1.55 113.70 114.51 2ijx s SER 131 Ca -0.07 -0.05 -0.18 0.00 0.70 0.00 0.00 55.95 56.35 2ijx s SER 131 Cb -0.04 0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.32 2ijx s SER 131 CO -0.00 -0.03 0.42 0.00 1.20 0.00 0.00 173.24 174.82 2ijx s ALA 132 N -0.16 -1.06 -0.26 5.45 0.00 0.10 0.09 121.76 125.93 2ijx s ALA 132 Ca -0.02 0.75 -0.06 0.00 0.00 0.00 0.00 51.96 52.64 2ijx s ALA 132 Cb -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 2ijx s ALA 132 CO -0.00 -0.27 0.03 -0.08 0.00 0.00 0.00 175.76 175.44 2ijx s THR 133 N -0.93 3.77 0.16 0.00 -1.32 -0.39 0.13 115.64 117.04 2ijx s THR 133 Ca -0.10 -0.59 0.07 0.00 -1.21 0.00 0.00 61.69 59.86 2ijx s THR 133 Cb -0.04 -2.85 -0.04 0.00 -1.51 0.00 0.00 72.50 68.06 2ijx s THR 133 CO 0.05 0.22 -0.15 0.27 -2.21 0.00 0.00 174.62 172.80 2ijx s ILE 134 N 1.50 1.55 0.00 5.08 -4.36 -0.15 -1.11 121.20 123.70 2ijx s ILE 134 Ca 0.04 -1.94 -0.36 0.00 -0.26 0.00 0.00 60.65 58.13 2ijx s ILE 134 Cb -0.16 -1.78 -0.15 0.00 1.25 0.00 0.00 42.46 41.62 2ijx s ILE 134 CO 0.01 -0.48 1.60 -0.24 0.24 0.00 0.00 174.94 176.07 2ijx n SER 135 N 0.15 2.62 -0.15 4.36 2.88 -0.13 -0.65 113.62 122.70 2ijx n SER 135 Ca -0.12 1.07 -0.07 0.00 -1.33 0.00 0.00 58.87 58.41 2ijx n SER 135 Cb 0.58 -1.29 0.09 0.00 -0.75 0.00 0.00 64.21 62.84 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 6.47 0.90 -0.41 -3.46 0.02 -1.16 -0.57 113.55 115.34 2ijx h SER 136 Ca -0.47 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.20 2ijx h SER 136 Cb 1.29 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 2ijx h SER 136 CO 0.88 0.98 0.13 0.44 -1.14 0.00 0.00 176.83 178.13 2ijx h ASP 137 N 0.84 0.59 -0.56 3.07 3.32 -1.89 -0.89 116.42 120.90 2ijx h ASP 137 Ca 0.15 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2ijx h ASP 137 Cb 0.55 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2ijx h ASP 137 CO 0.03 0.63 0.31 1.23 -1.72 0.00 0.00 179.24 179.72 2ijx h GLY 138 N 0.52 0.84 0.91 2.75 0.00 -1.90 -0.97 103.07 105.22 2ijx h GLY 138 Ca 0.13 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2ijx h GLY 138 CO -0.01 0.37 0.01 -2.75 0.00 0.00 0.00 176.54 174.16 2ijx h PHE 139 N 0.76 0.02 -0.42 5.60 3.57 -0.86 -1.02 116.94 124.59 2ijx h PHE 139 Ca 0.20 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.77 2ijx h PHE 139 Cb 0.05 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 2ijx h PHE 139 CO -0.01 0.11 0.03 -0.22 -2.23 0.00 0.00 178.31 175.99 2ijx h LYS 140 N -0.07 0.14 -0.69 1.11 3.64 -1.09 -0.83 116.57 118.78 2ijx h LYS 140 Ca 0.01 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2ijx h LYS 140 Cb 0.09 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 2ijx h LYS 140 CO -0.00 0.10 0.43 0.77 -2.27 0.00 0.00 179.45 178.48 2ijx h SER 141 N 0.15 0.71 -0.11 4.20 0.02 -1.00 -1.04 113.55 116.47 2ijx h SER 141 Ca 0.21 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2ijx h SER 141 Cb 0.28 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2ijx h SER 141 CO -0.31 0.49 0.03 0.00 -1.14 0.00 0.00 176.83 175.90 2ijx h ALA 142 N 1.30 0.14 -0.53 3.77 0.00 -0.70 -1.46 119.26 121.78 2ijx h ALA 142 Ca 0.28 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2ijx h ALA 142 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2ijx h ALA 142 CO -0.11 -0.24 0.11 0.82 0.00 0.00 0.00 179.25 179.82 2ijx h ILE 143 N -0.01 1.25 -0.44 0.00 1.08 -1.01 -1.40 117.51 116.98 2ijx h ILE 143 Ca 0.04 -0.91 0.03 0.00 -0.39 0.00 0.00 64.86 63.62 2ijx h ILE 143 Cb 0.22 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 2ijx h ILE 143 CO -0.00 0.33 0.23 0.28 -0.69 0.00 0.00 178.15 178.30 2ijx h SER 144 N 0.76 0.35 -0.23 1.72 0.02 -1.11 -0.29 113.55 114.77 2ijx h SER 144 Ca 0.16 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 2ijx h SER 144 Cb 0.37 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2ijx h SER 144 CO 0.01 0.25 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.28 2ijx h GLU 145 N 0.46 0.63 -0.85 3.45 5.08 -1.07 -2.76 114.58 119.53 2ijx h GLU 145 Ca 0.18 -0.37 0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2ijx h GLU 145 Cb 0.07 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 2ijx h GLU 145 CO -0.12 0.98 0.53 0.28 -1.00 0.00 0.00 179.01 179.69 2ijx h VAL 146 N 0.33 1.07 -0.01 3.13 2.07 -1.17 -2.00 116.25 119.66 2ijx h VAL 146 Ca 0.02 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2ijx h VAL 146 Cb 0.92 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2ijx h VAL 146 CO 0.08 0.18 0.01 0.28 0.02 0.00 0.00 177.57 178.14 2ijx h SER 147 N 0.98 0.00 0.52 0.57 0.02 -0.76 -1.94 113.55 112.95 2ijx h SER 147 Ca 0.36 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.29 2ijx h SER 147 Cb 0.12 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 2ijx h SER 147 CO -0.16 0.00 -0.12 0.71 -1.14 0.00 0.00 176.83 176.13 2ijx h THR 148 N 0.00 0.46 0.00 -2.27 1.35 -1.21 -3.34 112.91 107.90 2ijx h THR 148 Ca 0.00 -0.61 -0.08 0.00 -0.55 0.00 0.00 66.41 65.18 2ijx h THR 148 Cb 0.03 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 2ijx h THR 148 CO -0.00 0.12 -1.28 1.33 -0.25 0.00 0.00 175.52 175.43 2ijx n VAL 149 N -3.48 0.28 -3.66 6.82 0.24 -0.79 -5.10 118.33 112.64 2ijx n VAL 149 Ca -0.01 -0.17 -0.11 0.00 -2.04 0.00 0.00 64.34 62.01 2ijx n VAL 149 Cb 0.27 -0.88 -0.05 0.00 -1.47 0.00 0.00 33.84 31.71 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 -2.10 0.07 -2.20 3.34 -1.32 -0.87 -5.02 115.64 107.55 2ijx s THR 150 Ca -0.02 -0.61 0.28 0.00 -1.21 0.00 0.00 61.69 60.13 2ijx s THR 150 Cb 0.01 -1.13 0.50 0.00 -1.51 0.00 0.00 72.50 70.37 2ijx s THR 150 CO 0.16 -0.34 1.74 -0.67 -2.21 0.00 0.00 174.62 173.31 2ijx n ASP 151 N -0.02 1.18 -4.30 8.08 2.03 -1.26 -4.13 116.55 118.13 2ijx n ASP 151 Ca -0.17 -1.23 -0.43 0.00 0.52 0.00 0.00 54.79 53.49 2ijx n ASP 151 Cb 0.63 0.03 -0.08 0.00 -0.72 0.00 0.00 41.12 40.98 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 -2.17 5.95 -0.22 1.67 0.01 -1.26 -0.77 114.94 118.15 2ijx s ASN 152 Ca 0.34 -1.63 -0.13 0.00 -0.71 0.00 0.00 52.86 50.73 2ijx s ASN 152 Cb 0.21 -2.11 -0.04 0.00 0.41 0.00 0.00 41.25 39.71 2ijx s ASN 152 CO 0.40 -0.70 0.28 -0.69 -1.51 0.00 0.00 177.10 174.88 2ijx s VAL 153 N 1.52 5.28 -0.19 1.60 1.01 -0.17 -1.46 120.40 128.00 2ijx s VAL 153 Ca 0.04 0.45 -0.09 0.00 0.00 0.00 0.00 61.98 62.38 2ijx s VAL 153 Cb -0.26 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2ijx s VAL 153 CO 0.03 0.30 0.13 -0.69 0.00 0.00 0.00 175.10 174.87 2ijx s VAL 154 N 1.14 5.41 -0.18 2.92 1.01 0.99 -0.36 120.40 131.34 2ijx s VAL 154 Ca 0.13 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 2ijx s VAL 154 Cb -0.14 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 2ijx s VAL 154 CO 0.06 0.47 -0.11 -0.69 0.00 0.00 0.00 175.10 174.83 2ijx s VAL 155 N 0.14 2.94 -0.06 2.92 1.01 0.07 -1.66 120.40 125.75 2ijx s VAL 155 Ca 0.09 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.46 2ijx s VAL 155 Cb -0.11 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 2ijx s VAL 155 CO -0.01 0.49 -0.22 -0.70 0.00 0.00 0.00 175.10 174.66 2ijx s GLU 156 N 1.02 2.39 -0.04 2.72 2.12 0.03 -1.96 118.70 124.98 2ijx s GLU 156 Ca -0.01 -0.78 0.05 0.00 0.36 0.00 0.00 54.97 54.59 2ijx s GLU 156 Cb -0.15 -1.97 -0.01 0.00 0.26 0.00 0.00 34.13 32.27 2ijx s GLU 156 CO -0.02 0.27 -0.20 0.20 -0.54 0.00 0.00 175.26 174.97 2ijx s GLY 157 N 0.08 1.03 0.44 -1.50 0.00 0.49 -0.57 107.32 107.29 2ijx s GLY 157 Ca -0.08 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 43.85 2ijx s GLY 157 CO 0.05 -0.51 0.07 0.30 0.00 0.00 0.00 173.10 173.01 2ijx s HIS 158 N -0.12 1.88 0.50 1.90 3.76 -0.45 -2.37 115.29 120.39 2ijx s HIS 158 Ca -0.01 -1.09 0.22 0.00 -0.15 0.00 0.00 55.06 54.02 2ijx s HIS 158 Cb -0.11 -1.38 1.29 0.00 1.11 0.00 0.00 32.58 33.49 2ijx s HIS 158 CO 0.02 -0.02 2.00 0.93 -0.85 0.00 0.00 174.74 176.81 2ijx h GLU 159 N 1.65 0.11 0.00 1.40 5.08 -1.99 -3.24 114.58 117.58 2ijx h GLU 159 Ca -0.40 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2ijx h GLU 159 Cb 1.28 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2ijx h GLU 159 CO 0.66 0.07 0.00 -0.40 -1.00 0.00 0.00 179.01 178.34 2ijx n ASP 160 N -4.42 0.70 -3.61 1.42 5.75 -1.26 -4.92 116.55 110.21 2ijx n ASP 160 Ca 0.09 -1.15 -0.13 0.00 -0.01 0.00 0.00 54.79 53.59 2ijx n ASP 160 Cb 0.52 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.56 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 -0.15 1.00 -0.08 0.11 1.70 -1.22 -4.51 118.95 115.79 2ijx s ARG 161 Ca 0.00 -0.35 0.04 0.00 -0.47 0.00 0.00 55.73 54.96 2ijx s ARG 161 Cb 0.00 0.45 -0.01 0.00 -0.57 0.00 0.00 34.95 34.82 2ijx s ARG 161 CO 0.00 -0.36 -0.21 0.42 -1.08 0.00 0.00 175.30 174.07 2ijx s ILE 162 N -2.63 2.37 -0.04 4.99 -1.09 -0.72 -1.34 121.20 122.74 2ijx s ILE 162 Ca -0.04 -0.94 0.06 0.00 -2.23 0.00 0.00 60.65 57.50 2ijx s ILE 162 Cb -0.00 -1.90 -0.02 0.00 -1.58 0.00 0.00 42.46 38.95 2ijx s ILE 162 CO -0.03 0.56 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.27 2ijx s LEU 163 N -0.04 2.32 -0.16 2.97 1.43 0.27 -0.85 118.68 124.61 2ijx s LEU 163 Ca -0.06 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2ijx s LEU 163 Cb -0.15 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.66 2ijx s LEU 163 CO 0.05 0.32 -0.20 -0.63 0.23 0.00 0.00 176.35 176.12 2ijx s ILE 164 N -0.60 2.00 0.06 -0.59 1.01 -0.45 -0.79 121.20 121.84 2ijx s ILE 164 Ca 0.09 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 2ijx s ILE 164 Cb -0.11 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 2ijx s ILE 164 CO 0.00 0.53 0.14 -1.59 0.00 0.00 0.00 174.94 174.03 2ijx s LYS 165 N 1.14 0.70 0.11 2.79 -2.85 -0.66 -0.78 119.74 120.19 2ijx s LYS 165 Ca 0.01 -0.83 -0.31 0.00 -1.00 0.00 0.00 55.97 53.84 2ijx s LYS 165 Cb -0.14 0.28 -0.07 0.00 -2.06 0.00 0.00 37.83 35.84 2ijx s LYS 165 CO -0.09 -0.20 1.27 0.00 0.10 0.00 0.00 175.35 176.44 2ijx s ALA 166 N -3.13 3.48 0.22 0.59 0.00 -0.57 -0.00 121.76 122.34 2ijx s ALA 166 Ca -0.01 0.98 -0.31 0.00 0.00 0.00 0.00 51.96 52.62 2ijx s ALA 166 Cb 0.02 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 2ijx s ALA 166 CO -0.07 -0.49 1.67 -2.00 0.00 0.00 0.00 175.76 174.87 2ijx s GLU 167 N 0.73 4.14 0.00 0.00 2.12 -0.53 -4.72 118.70 120.44 2ijx s GLU 167 Ca 0.59 2.56 0.00 0.00 0.36 0.00 0.00 54.97 58.49 2ijx s GLU 167 Cb -0.33 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 30.98 2ijx s GLU 167 CO 0.32 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 2ijx n GLY 168 N 3.56 -1.57 0.30 -1.50 0.00 -1.26 -4.71 105.19 100.01 2ijx n GLY 168 Ca 0.14 -1.98 0.13 0.00 0.00 0.00 0.00 46.02 44.31 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 1.40 0.16 1.61 1.02 -1.26 -3.84 120.64 119.73 2ijx n GLU 169 Ca 0.00 -0.59 0.02 0.00 -0.02 0.00 0.00 57.16 56.57 2ijx n GLU 169 Cb 0.00 -1.43 0.26 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.33 0.00 -1.96 1.62 4.64 -1.89 -3.47 113.55 113.83 2ijx h SER 170 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 2ijx h SER 170 Cb 0.29 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.31 2ijx h SER 170 CO 0.00 0.49 -0.42 -0.62 -0.87 0.00 0.00 176.83 175.41 2ijx n GLU 171 N -3.70 -1.39 -2.22 4.77 1.02 -1.25 -4.97 120.64 112.90 2ijx n GLU 171 Ca -0.01 0.98 -0.42 0.00 -0.02 0.00 0.00 57.16 57.69 2ijx n GLU 171 Cb 0.55 -5.40 -0.03 0.00 -0.02 0.00 0.00 31.44 26.54 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 -2.82 3.57 -0.25 2.62 1.01 -1.26 -4.97 120.40 118.29 2ijx s VAL 172 Ca 0.00 1.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.79 2ijx s VAL 172 Cb 0.00 -3.68 0.09 0.00 0.00 0.00 0.00 36.38 32.78 2ijx s VAL 172 CO 0.00 0.05 0.81 -0.70 0.00 0.00 0.00 175.10 175.26 2ijx s GLU 173 N 1.66 0.76 -0.08 2.72 2.12 -1.26 -1.51 118.70 123.10 2ijx s GLU 173 Ca 0.64 0.81 0.03 0.00 0.36 0.00 0.00 54.97 56.80 2ijx s GLU 173 Cb -0.34 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.43 2ijx s GLU 173 CO 0.29 -0.11 -0.16 0.08 -0.54 0.00 0.00 175.26 174.82 2ijx s VAL 174 N 0.17 1.44 -0.16 3.70 1.01 0.04 -5.00 120.40 121.59 2ijx s VAL 174 Ca -0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 2ijx s VAL 174 Cb -0.04 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2ijx s VAL 174 CO -0.00 0.42 0.05 -0.70 0.00 0.00 0.00 175.10 174.87 2ijx s GLU 175 N 0.61 3.77 -0.26 2.72 2.12 -1.26 -1.34 118.70 125.05 2ijx s GLU 175 Ca -0.15 -0.35 -0.05 0.00 0.36 0.00 0.00 54.97 54.78 2ijx s GLU 175 Cb -0.16 -3.12 0.01 0.00 0.26 0.00 0.00 34.13 31.11 2ijx s GLU 175 CO 0.05 0.37 0.02 -0.06 -0.54 0.00 0.00 175.26 175.10 2ijx s PHE 176 N 0.08 3.08 0.33 5.30 0.40 -0.03 -4.77 117.98 122.36 2ijx s PHE 176 Ca 0.05 -1.06 -0.13 0.00 -0.60 0.00 0.00 56.93 55.18 2ijx s PHE 176 Cb -0.12 -2.17 0.02 0.00 0.51 0.00 0.00 43.02 41.26 2ijx s PHE 176 CO 0.01 -0.59 0.64 -1.54 0.70 0.00 0.00 175.22 174.44 2ijx s SER 177 N 1.46 0.13 0.28 1.36 1.04 -1.26 -1.76 113.70 114.95 2ijx s SER 177 Ca 0.03 -1.06 0.03 0.00 0.48 0.00 0.00 55.95 55.42 2ijx s SER 177 Cb -0.16 0.73 0.43 0.00 0.10 0.00 0.00 66.02 67.12 2ijx s SER 177 CO -0.00 -1.42 1.74 0.11 0.98 0.00 0.00 173.24 174.64 2ijx h LYS 178 N 2.08 0.49 -0.62 4.02 1.79 -1.81 0.24 116.57 122.75 2ijx h LYS 178 Ca -0.27 -0.18 -0.07 0.00 -2.18 0.00 0.00 60.65 57.95 2ijx h LYS 178 Cb 1.25 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.84 2ijx h LYS 178 CO 0.35 0.69 0.11 -0.44 -1.08 0.00 0.00 179.45 179.08 2ijx h ASP 179 N 0.44 0.98 1.62 0.86 5.19 -1.95 -3.06 116.42 120.49 2ijx h ASP 179 Ca 0.07 -0.26 -0.06 0.00 -0.62 0.00 0.00 57.03 56.16 2ijx h ASP 179 Cb 0.63 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 2ijx h ASP 179 CO 0.05 0.99 -0.39 0.74 -3.12 0.00 0.00 179.24 177.51 2ijx h THR 180 N 0.94 0.48 0.00 0.35 2.02 -1.86 -3.48 112.91 111.36 2ijx h THR 180 Ca 0.19 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.67 2ijx h THR 180 Cb 0.42 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2ijx h THR 180 CO 0.01 0.27 0.00 0.61 0.37 0.00 0.00 175.52 176.79 2ijx n GLY 181 N 1.19 0.77 0.47 2.16 0.00 0.83 -4.89 105.19 105.72 2ijx n GLY 181 Ca 0.02 0.00 0.14 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 -2.21 -0.04 3.15 -0.02 0.00 -1.14 -4.85 105.19 100.09 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 -2.05 2.81 -0.12 0.99 2.96 -1.22 -0.95 118.68 121.09 2ijx s LEU 183 Ca 0.36 -0.85 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 2ijx s LEU 183 Cb 0.21 -1.58 -0.24 0.00 0.50 0.00 0.00 46.19 45.09 2ijx s LEU 183 CO 0.35 -0.08 0.37 1.67 -1.32 0.00 0.00 176.35 177.34 2ijx n GLN 184 N 4.61 0.68 -3.60 1.98 7.27 -0.27 -4.58 117.38 123.47 2ijx n GLN 184 Ca -0.18 0.22 -0.14 0.00 0.07 0.00 0.00 57.00 56.97 2ijx n GLN 184 Cb 0.47 -1.69 -0.07 0.00 2.41 0.00 0.00 30.24 31.37 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 -6.32 -0.68 -0.03 1.69 2.15 -1.22 -4.98 116.67 107.28 2ijx s ASP 185 Ca -0.14 1.18 -0.01 0.00 0.43 0.00 0.00 52.55 54.01 2ijx s ASP 185 Cb 0.07 1.15 0.03 0.00 -0.30 0.00 0.00 42.92 43.87 2ijx s ASP 185 CO 0.78 -0.32 0.03 -0.22 -0.17 0.00 0.00 175.17 175.28 2ijx s LEU 186 N -0.04 0.72 -0.29 -1.34 0.20 -1.26 -1.27 118.68 115.39 2ijx s LEU 186 Ca -0.02 0.04 -0.06 0.00 0.69 0.00 0.00 54.13 54.77 2ijx s LEU 186 Cb -0.04 -0.14 0.01 0.00 -0.43 0.00 0.00 46.19 45.60 2ijx s LEU 186 CO 0.02 -0.17 0.07 -1.61 -0.29 0.00 0.00 176.35 174.37 2ijx s GLU 187 N 1.52 3.06 -0.21 1.98 8.01 0.11 -5.00 118.70 128.16 2ijx s GLU 187 Ca -0.03 -0.88 -0.04 0.00 0.01 0.00 0.00 54.97 54.03 2ijx s GLU 187 Cb -0.13 -3.34 -0.02 0.00 -4.31 0.00 0.00 34.13 26.34 2ijx s GLU 187 CO -0.03 -0.45 -0.03 0.12 0.01 0.00 0.00 175.26 174.89 2ijx s PHE 188 N 1.48 2.98 -0.15 1.61 5.36 -1.26 -1.80 117.98 126.21 2ijx s PHE 188 Ca 0.02 -0.73 -0.04 0.00 -0.96 0.00 0.00 56.93 55.22 2ijx s PHE 188 Cb -0.17 -2.09 -0.07 0.00 -0.34 0.00 0.00 43.02 40.34 2ijx s PHE 188 CO 0.02 -0.42 -0.17 0.45 -1.46 0.00 0.00 175.22 173.65 2ijx n SER 189 N 4.55 1.73 -3.66 6.13 2.88 -0.10 -5.04 113.62 120.12 2ijx n SER 189 Ca -0.18 0.09 -0.14 0.00 -1.33 0.00 0.00 58.87 57.31 2ijx n SER 189 Cb 0.51 -0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 63.54 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 -2.27 0.75 0.28 -1.46 2.20 -1.00 -5.07 119.74 113.17 2ijx s LYS 190 Ca -0.20 0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 2ijx s LYS 190 Cb 0.07 0.36 -0.12 0.00 -1.51 0.00 0.00 37.83 36.63 2ijx s LYS 190 CO 0.28 -0.15 1.60 -1.91 -0.36 0.00 0.00 175.35 174.82 2ijx n GLU 191 N 2.17 2.68 -3.91 4.03 2.13 -1.26 -4.54 120.64 121.94 2ijx n GLU 191 Ca -0.16 0.95 -0.11 0.00 0.66 0.00 0.00 57.16 58.51 2ijx n GLU 191 Cb 0.56 -2.74 -0.11 0.00 0.27 0.00 0.00 31.44 29.42 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 0.56 0.08 -0.14 4.31 0.01 -1.00 -4.88 113.70 112.64 2ijx s SER 192 Ca 0.65 -0.22 -0.07 0.00 1.31 0.00 0.00 55.95 57.63 2ijx s SER 192 Cb -0.51 0.14 0.06 0.00 0.21 0.00 0.00 66.02 65.93 2ijx s SER 192 CO 0.47 -0.24 0.32 -0.75 0.41 0.00 0.00 173.24 173.46 2ijx s LYS 193 N -0.98 0.27 0.11 12.44 2.20 -1.26 -0.37 119.74 132.15 2ijx s LYS 193 Ca -0.11 0.70 -0.11 0.00 -0.36 0.00 0.00 55.97 56.09 2ijx s LYS 193 Cb -0.06 -0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.23 2ijx s LYS 193 CO 0.00 -0.19 0.26 1.21 -0.36 0.00 0.00 175.35 176.28 2ijx s ASN 194 N 1.59 0.01 0.05 1.43 3.04 -0.83 -4.49 114.94 115.75 2ijx s ASN 194 Ca -0.07 -0.59 0.04 0.00 0.04 0.00 0.00 52.86 52.28 2ijx s ASN 194 Cb -0.10 0.39 -0.04 0.00 -1.54 0.00 0.00 41.25 39.96 2ijx s ASN 194 CO -0.10 -0.79 -0.02 -0.44 -3.04 0.00 0.00 177.10 172.70 2ijx s SER 195 N -2.86 4.91 0.05 -4.21 0.01 -1.26 -0.75 113.70 109.59 2ijx s SER 195 Ca 0.06 -0.15 -0.02 0.00 1.31 0.00 0.00 55.95 57.15 2ijx s SER 195 Cb 0.04 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.06 2ijx s SER 195 CO -0.10 0.22 -0.00 -0.31 0.41 0.00 0.00 173.24 173.46 2ijx s TYR 196 N -1.19 0.46 -0.12 2.43 1.51 0.51 -0.59 117.35 120.35 2ijx s TYR 196 Ca 0.22 -0.98 -0.29 0.00 -1.01 0.00 0.00 57.07 55.00 2ijx s TYR 196 Cb -0.11 -0.34 -0.02 0.00 -0.11 0.00 0.00 41.96 41.38 2ijx s TYR 196 CO 0.14 -0.39 1.24 0.45 -1.11 0.00 0.00 175.55 175.87 2ijx s SER 197 N -2.85 6.98 0.29 2.29 0.15 -1.26 -1.00 113.70 118.30 2ijx s SER 197 Ca 0.06 1.74 -0.02 0.00 0.70 0.00 0.00 55.95 58.43 2ijx s SER 197 Cb 0.07 -2.55 0.42 0.00 -1.71 0.00 0.00 66.02 62.25 2ijx s SER 197 CO -0.10 -0.69 1.89 0.00 1.20 0.00 0.00 173.24 175.54 2ijx h ALA 198 N 7.92 1.30 -0.72 5.45 0.00 -1.26 -2.32 119.26 129.62 2ijx h ALA 198 Ca -0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2ijx h ALA 198 Cb 1.12 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2ijx h ALA 198 CO 0.94 0.54 0.34 0.93 0.00 0.00 0.00 179.25 182.00 2ijx h GLU 199 N 0.95 1.05 -0.13 0.00 4.39 -1.91 0.13 114.58 119.06 2ijx h GLU 199 Ca 0.23 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.67 2ijx h GLU 199 Cb 0.10 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2ijx h GLU 199 CO -0.03 0.83 -0.39 1.88 -1.16 0.00 0.00 179.01 180.14 2ijx h TYR 200 N 1.02 0.33 -0.01 4.33 -1.99 -1.91 -1.68 116.97 117.06 2ijx h TYR 200 Ca 0.25 -0.09 -0.24 0.00 2.00 0.00 0.00 58.73 60.65 2ijx h TYR 200 Cb 0.13 -0.07 0.01 0.00 2.00 0.00 0.00 36.73 38.80 2ijx h TYR 200 CO 0.01 0.64 -0.97 -0.07 -0.00 0.00 0.00 178.16 177.77 2ijx h LEU 201 N 0.24 0.69 -0.74 3.88 3.38 -1.11 -3.12 115.31 118.52 2ijx h LEU 201 Ca 0.02 -0.54 0.10 0.00 0.09 0.00 0.00 57.88 57.55 2ijx h LEU 201 Cb 0.80 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 2ijx h LEU 201 CO 0.06 1.34 0.38 0.44 0.09 0.00 0.00 178.44 180.75 2ijx h ASP 202 N 0.30 0.49 -0.70 -0.43 3.32 -0.59 -2.18 116.42 116.62 2ijx h ASP 202 Ca -0.10 0.06 0.19 0.00 0.02 0.00 0.00 57.03 57.21 2ijx h ASP 202 Cb 1.61 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 41.11 2ijx h ASP 202 CO 0.18 0.27 0.50 0.44 -1.72 0.00 0.00 179.24 178.90 2ijx h ASP 203 N 0.62 0.10 -0.40 6.45 3.32 -1.24 -2.72 116.42 122.56 2ijx h ASP 203 Ca 0.37 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2ijx h ASP 203 Cb 0.41 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2ijx h ASP 203 CO -0.28 0.05 0.00 1.33 -1.72 0.00 0.00 179.24 178.61 2ijx n VAL 204 N -4.37 1.50 0.32 -1.35 0.24 -0.83 -4.40 118.33 109.44 2ijx n VAL 204 Ca 0.14 -1.28 0.15 0.00 -2.04 0.00 0.00 64.34 61.32 2ijx n VAL 204 Cb 0.71 0.23 0.65 0.00 -1.47 0.00 0.00 33.84 33.95 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 2.44 0.00 -1.76 1.34 3.38 -1.41 -1.43 115.31 117.88 2ijx h LEU 205 Ca 0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 2ijx h LEU 205 Cb 1.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 2ijx h LEU 205 CO 0.10 0.00 0.52 -1.28 0.09 0.00 0.00 178.44 177.87 2ijx h SER 206 N 0.00 0.21 0.41 -0.43 0.87 -1.83 -1.19 113.55 111.59 2ijx h SER 206 Ca 0.00 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2ijx h SER 206 Cb 0.39 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2ijx h SER 206 CO 0.00 0.10 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.27 2ijx h LEU 207 N 0.22 0.00 -1.26 2.23 3.38 -1.44 -2.28 115.31 116.17 2ijx h LEU 207 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2ijx h LEU 207 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2ijx h LEU 207 CO -0.08 0.06 0.00 0.71 0.09 0.00 0.00 178.44 179.22 2ijx h THR 208 N 0.00 0.00 0.00 0.22 1.35 -1.40 -0.82 112.91 112.26 2ijx h THR 208 Ca -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2ijx h THR 208 Cb 0.28 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2ijx h THR 208 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 2ijx h LYS 209 N 0.00 0.00 0.00 4.72 1.57 -1.57 -3.31 116.57 117.98 2ijx h LYS 209 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 2ijx h LYS 209 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2ijx h LYS 209 CO 0.00 0.00 -0.97 -0.07 -0.57 0.00 0.00 179.45 177.84 2ijx h LEU 210 N 0.00 0.00 -7.48 2.94 3.38 -1.33 -3.46 115.31 109.35 2ijx h LEU 210 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2ijx h LEU 210 Cb 0.47 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.01 2ijx h LEU 210 CO 0.00 0.97 -0.27 -0.94 0.09 0.00 0.00 178.44 178.30 2ijx s SER 211 N -6.71 -0.22 0.40 -0.43 1.04 -1.25 -4.47 113.70 102.06 2ijx s SER 211 Ca 0.01 0.17 0.18 0.00 0.48 0.00 0.00 55.95 56.78 2ijx s SER 211 Cb 0.10 0.36 0.83 0.00 0.10 0.00 0.00 66.02 67.42 2ijx s SER 211 CO 0.82 -0.42 1.83 0.44 0.98 0.00 0.00 173.24 176.89 2ijx h ASP 212 N 4.03 0.00 -3.42 7.02 3.32 -1.89 -3.43 116.42 122.05 2ijx h ASP 212 Ca -0.29 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.21 2ijx h ASP 212 Cb 1.18 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.55 2ijx h ASP 212 CO 0.39 0.33 -0.79 -0.31 -1.72 0.00 0.00 179.24 177.15 2ijx s TYR 213 N -3.96 1.92 -0.06 4.55 2.02 -1.26 -0.67 117.35 119.90 2ijx s TYR 213 Ca -0.02 -0.45 0.04 0.00 -0.37 0.00 0.00 57.07 56.27 2ijx s TYR 213 Cb 0.13 -0.95 0.00 0.00 -0.40 0.00 0.00 41.96 40.74 2ijx s TYR 213 CO 0.68 0.38 -0.17 0.54 -1.57 0.00 0.00 175.55 175.42 2ijx s VAL 214 N -2.02 1.44 -0.29 0.71 0.11 0.18 -4.69 120.40 115.84 2ijx s VAL 214 Ca 0.17 -0.69 -0.19 0.00 -2.93 0.00 0.00 61.98 58.34 2ijx s VAL 214 Cb -0.06 -1.26 -0.01 0.00 -1.53 0.00 0.00 36.38 33.52 2ijx s VAL 214 CO 0.08 0.42 0.58 -0.75 -3.33 0.00 0.00 175.10 172.10 2ijx s LYS 215 N 0.25 3.93 -0.08 1.54 2.20 -0.43 -0.98 119.74 126.18 2ijx s LYS 215 Ca -0.09 0.27 -0.00 0.00 -0.36 0.00 0.00 55.97 55.78 2ijx s LYS 215 Cb -0.14 -3.71 -0.03 0.00 -1.51 0.00 0.00 37.83 32.44 2ijx s LYS 215 CO 0.04 -0.51 -0.04 0.96 -0.36 0.00 0.00 175.35 175.44 2ijx s ILE 216 N 2.49 3.94 -0.00 5.43 -4.36 0.12 -0.59 121.20 128.23 2ijx s ILE 216 Ca 0.23 -0.38 0.02 0.00 -0.26 0.00 0.00 60.65 60.26 2ijx s ILE 216 Cb -0.15 -2.64 -0.01 0.00 1.25 0.00 0.00 42.46 40.91 2ijx s ILE 216 CO 0.11 0.59 -0.05 -0.44 0.24 0.00 0.00 174.94 175.39 2ijx s SER 217 N -0.75 0.63 0.24 4.36 0.01 0.03 -0.72 113.70 117.51 2ijx s SER 217 Ca 0.11 -0.12 -0.18 0.00 1.31 0.00 0.00 55.95 57.07 2ijx s SER 217 Cb -0.11 -0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.12 2ijx s SER 217 CO 0.02 0.05 0.88 2.22 0.41 0.00 0.00 173.24 176.81 2ijx n PHE 218 N 2.85 -1.66 -3.93 2.43 -1.74 -0.59 -0.51 117.46 114.31 2ijx n PHE 218 Ca -0.13 -1.38 0.03 0.00 -0.56 0.00 0.00 57.45 55.41 2ijx n PHE 218 Cb 0.58 0.68 0.01 0.00 1.52 0.00 0.00 39.48 42.27 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 -3.19 -0.20 0.06 4.97 0.00 -1.26 -1.12 107.32 106.58 2ijx s GLY 219 Ca 0.19 0.20 -0.31 0.00 0.00 0.00 0.00 44.72 44.80 2ijx s GLY 219 CO 0.07 4.96 1.62 -1.31 0.00 0.00 0.00 173.10 178.45 2ijx s ASN 220 N -3.70 6.64 -1.91 1.64 0.01 -1.26 -1.98 114.94 114.38 2ijx s ASN 220 Ca 0.27 2.43 0.00 0.00 -0.71 0.00 0.00 52.86 54.85 2ijx s ASN 220 Cb 0.01 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.11 2ijx s ASN 220 CO -0.02 -0.86 0.00 0.00 -1.51 0.00 0.00 177.10 174.71 2ijx n GLN 221 N 5.60 -1.39 -4.41 -0.60 6.02 -1.26 -4.99 117.38 116.35 2ijx n GLN 221 Ca 0.15 1.10 -0.26 0.00 -0.01 0.00 0.00 57.00 57.98 2ijx n GLN 221 Cb 0.41 -5.49 -0.11 0.00 1.02 0.00 0.00 30.24 26.07 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 -4.04 1.67 0.95 -1.09 1.02 -0.83 -5.00 119.74 112.41 2ijx s LYS 222 Ca 0.00 -1.53 -0.12 0.00 0.02 0.00 0.00 55.97 54.34 2ijx s LYS 222 Cb 0.00 -1.89 0.16 0.00 -0.52 0.00 0.00 37.83 35.58 2ijx s LYS 222 CO 0.00 0.39 1.09 -1.25 -0.92 0.00 0.00 175.35 174.66 2ijx s PRO 223 N -2.91 0.83 -0.21 -1.68 0.04 -1.26 -4.38 135.00 125.43 2ijx s PRO 223 Ca 0.24 0.85 -0.09 0.00 0.04 0.00 0.00 61.00 62.03 2ijx s PRO 223 Cb -0.07 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 2ijx s PRO 223 CO 0.12 -2.54 0.12 -1.17 0.04 0.00 0.00 177.00 173.56 2ijx s LEU 224 N -6.42 4.03 -0.11 -3.56 2.96 -0.25 -4.24 118.68 111.09 2ijx s LEU 224 Ca 0.65 0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 54.68 2ijx s LEU 224 Cb -0.19 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 2ijx s LEU 224 CO 0.58 0.14 -0.09 -1.58 -1.32 0.00 0.00 176.35 174.08 2ijx s GLN 225 N 0.61 3.18 -0.06 1.98 0.74 0.33 -0.59 119.66 125.85 2ijx s GLN 225 Ca 0.06 -0.60 0.03 0.00 0.05 0.00 0.00 55.36 54.90 2ijx s GLN 225 Cb -0.12 -2.67 -0.02 0.00 1.10 0.00 0.00 33.01 31.29 2ijx s GLN 225 CO 0.01 0.40 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.51 2ijx s LEU 226 N -0.11 2.80 -0.05 3.68 1.43 -0.18 -0.79 118.68 125.47 2ijx s LEU 226 Ca 0.00 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2ijx s LEU 226 Cb -0.13 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.52 2ijx s LEU 226 CO 0.03 0.32 -0.07 0.12 0.23 0.00 0.00 176.35 176.98 2ijx s PHE 227 N -0.57 0.93 -0.08 0.29 5.36 0.24 -1.16 117.98 122.99 2ijx s PHE 227 Ca 0.08 -0.29 0.03 0.00 -0.96 0.00 0.00 56.93 55.80 2ijx s PHE 227 Cb -0.11 -0.76 0.00 0.00 -0.34 0.00 0.00 43.02 41.81 2ijx s PHE 227 CO 0.01 -0.20 -0.19 -0.06 -1.46 0.00 0.00 175.22 173.33 2ijx s PHE 228 N 0.76 2.03 -0.17 10.12 0.08 0.00 -1.31 117.98 129.49 2ijx s PHE 228 Ca -0.12 -0.78 -0.01 0.00 0.12 0.00 0.00 56.93 56.14 2ijx s PHE 228 Cb -0.14 -1.40 -0.00 0.00 -0.57 0.00 0.00 43.02 40.91 2ijx s PHE 228 CO 0.01 -0.33 -0.11 1.21 -0.10 0.00 0.00 175.22 175.90 2ijx s ASN 229 N 0.43 3.92 0.33 1.36 3.84 -1.26 -1.61 114.94 121.95 2ijx s ASN 229 Ca -0.15 -0.42 0.08 0.00 0.21 0.00 0.00 52.86 52.58 2ijx s ASN 229 Cb -0.16 -1.63 -0.04 0.00 -0.55 0.00 0.00 41.25 38.87 2ijx s ASN 229 CO 0.06 0.06 0.16 -0.32 -2.79 0.00 0.00 177.10 174.27 2ijx s MET 230 N 0.98 2.44 0.54 0.43 1.75 -0.27 -4.55 119.30 120.62 2ijx s MET 230 Ca -0.02 -1.48 -0.22 0.00 -1.25 0.00 0.00 55.69 52.73 2ijx s MET 230 Cb -0.15 -2.24 -0.05 0.00 2.84 0.00 0.00 34.83 35.23 2ijx s MET 230 CO -0.01 0.14 1.36 -1.83 -0.65 0.00 0.00 175.02 174.03 2ijx s GLU 231 N -3.85 3.20 0.00 4.11 4.04 -1.26 -1.15 118.70 123.78 2ijx s GLU 231 Ca 0.37 2.23 0.00 0.00 0.04 0.00 0.00 54.97 57.62 2ijx s GLU 231 Cb -0.04 -2.29 0.00 0.00 0.02 0.00 0.00 34.13 31.83 2ijx s GLU 231 CO 0.23 -1.14 0.00 0.41 -1.84 0.00 0.00 175.26 172.92 2ijx n GLY 232 N 0.70 2.70 0.57 -3.83 0.00 -1.26 -3.96 105.19 100.11 2ijx n GLY 232 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 0.84 3.79 -0.02 0.00 -0.30 -4.09 105.19 103.41 2ijx n GLY 233 Ca 0.00 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.14 2.39 -0.01 -0.02 0.00 -1.22 -4.55 107.32 101.77 2ijx s GLY 234 Ca 0.00 0.61 -0.01 0.00 0.00 0.00 0.00 44.72 45.31 2ijx s GLY 234 CO 0.00 0.94 0.04 0.54 0.00 0.00 0.00 173.10 174.62 2ijx s LYS 235 N -3.59 0.06 -0.05 2.90 1.02 -0.24 -1.12 119.74 118.73 2ijx s LYS 235 Ca 0.68 0.01 0.02 0.00 0.02 0.00 0.00 55.97 56.70 2ijx s LYS 235 Cb -0.19 0.03 0.01 0.00 -0.52 0.00 0.00 37.83 37.16 2ijx s LYS 235 CO 0.29 -0.01 -0.10 0.08 -0.92 0.00 0.00 175.35 174.69 2ijx s VAL 236 N -0.08 0.97 -0.02 3.17 1.01 -0.63 -1.42 120.40 123.38 2ijx s VAL 236 Ca -0.01 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.64 2ijx s VAL 236 Cb -0.01 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 2ijx s VAL 236 CO 0.00 0.31 -0.24 -0.89 0.00 0.00 0.00 175.10 174.28 2ijx s THR 237 N 0.56 1.91 -0.03 3.92 2.01 -0.30 -0.82 115.64 122.89 2ijx s THR 237 Ca -0.11 -1.03 0.04 0.00 0.31 0.00 0.00 61.69 60.91 2ijx s THR 237 Cb -0.14 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 2ijx s THR 237 CO 0.02 0.54 -0.16 -0.47 -0.69 0.00 0.00 174.62 173.86 2ijx s TYR 238 N -0.49 1.60 -0.10 4.92 5.04 -0.31 -1.46 117.35 126.54 2ijx s TYR 238 Ca 0.07 -0.42 0.02 0.00 -2.44 0.00 0.00 57.07 54.30 2ijx s TYR 238 Cb -0.10 -1.07 0.01 0.00 0.35 0.00 0.00 41.96 41.15 2ijx s TYR 238 CO -0.00 -0.12 -0.15 -1.17 -1.34 0.00 0.00 175.55 172.76 2ijx s LEU 239 N -0.06 1.73 -0.13 6.97 2.96 0.14 -1.01 118.68 129.29 2ijx s LEU 239 Ca -0.01 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 2ijx s LEU 239 Cb -0.10 -1.08 0.02 0.00 0.50 0.00 0.00 46.19 45.53 2ijx s LEU 239 CO 0.01 0.03 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.69 2ijx s LEU 240 N 0.91 1.80 0.57 -0.68 2.96 0.24 -1.59 118.68 122.88 2ijx s LEU 240 Ca -0.08 -0.48 -0.21 0.00 -0.22 0.00 0.00 54.13 53.14 2ijx s LEU 240 Cb -0.15 -1.19 -0.05 0.00 0.50 0.00 0.00 46.19 45.30 2ijx s LEU 240 CO -0.00 0.01 1.27 0.00 -1.32 0.00 0.00 176.35 176.30 2ijx n ALA 241 N 4.32 1.21 -1.55 5.97 0.00 -0.69 -1.09 120.51 128.68 2ijx n ALA 241 Ca -0.19 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 2ijx n ALA 241 Cb 0.51 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2ijx n ALA 241 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ijx n PRO 242 N -1.10 1.05 -1.69 0.00 -0.02 -1.26 -4.65 135.00 127.33 2ijx n PRO 242 Ca 0.12 0.38 -0.44 0.00 -2.02 0.00 0.00 63.50 61.53 2ijx n PRO 242 Cb 0.45 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 2ijx n PRO 242 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2ijx n LYS 243 N 0.43 2.26 0.00 -0.52 3.00 0.24 -4.93 118.16 118.64 2ijx n LYS 243 Ca 0.10 0.81 0.15 0.00 -0.00 0.00 0.00 58.31 59.37 2ijx n LYS 243 Cb 0.37 -2.52 0.74 0.00 0.00 0.00 0.00 35.03 33.62 2ijx n LYS 243 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73