#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 0.50 0.10 3.17 2.20 0.11 -1.49 119.74 124.33 2ijx s LYS 2 Ca 0.00 1.09 0.07 0.00 -0.36 0.00 0.00 55.97 56.78 2ijx s LYS 2 Cb 0.00 0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 36.55 2ijx s LYS 2 CO 0.00 -0.18 -0.19 0.14 -0.36 0.00 0.00 175.35 174.76 2ijx s VAL 3 N 2.01 1.53 -0.08 4.02 -7.23 0.06 -0.19 120.40 120.53 2ijx s VAL 3 Ca -0.07 -1.50 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2ijx s VAL 3 Cb -0.09 -1.43 0.02 0.00 0.56 0.00 0.00 36.38 35.44 2ijx s VAL 3 CO -0.16 -0.13 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.72 2ijx s VAL 4 N -1.27 0.96 -0.05 1.32 1.01 -0.34 -1.02 120.40 121.00 2ijx s VAL 4 Ca 0.04 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.77 2ijx s VAL 4 Cb -0.10 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 2ijx s VAL 4 CO 0.04 0.33 -0.23 -0.47 0.00 0.00 0.00 175.10 174.77 2ijx s TYR 5 N 1.20 2.48 -1.50 5.22 5.04 -0.15 -0.79 117.35 128.85 2ijx s TYR 5 Ca -0.05 -0.55 0.29 0.00 -2.44 0.00 0.00 57.07 54.32 2ijx s TYR 5 Cb -0.14 -1.59 1.51 0.00 0.35 0.00 0.00 41.96 42.08 2ijx s TYR 5 CO -0.02 -0.11 2.02 -0.40 -1.34 0.00 0.00 175.55 175.70 2ijx n ASP 6 N 2.75 0.00 -3.44 4.32 5.68 -1.26 -0.60 116.55 124.00 2ijx n ASP 6 Ca -0.17 -0.23 -0.21 0.00 -0.50 0.00 0.00 54.79 53.68 2ijx n ASP 6 Cb 0.52 -0.25 -0.11 0.00 -1.14 0.00 0.00 41.12 40.14 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 -2.50 2.23 0.59 -1.12 -1.08 -1.25 -3.72 116.67 109.83 2ijx s ASP 7 Ca 0.30 -1.04 0.30 0.00 -0.52 0.00 0.00 52.55 51.60 2ijx s ASP 7 Cb 0.20 0.23 1.84 0.00 -1.46 0.00 0.00 42.92 43.72 2ijx s ASP 7 CO 0.43 -0.39 2.25 1.62 0.52 0.00 0.00 175.17 179.60 2ijx h VAL 8 N 6.16 0.49 0.00 1.11 3.04 -0.95 -2.14 116.25 123.96 2ijx h VAL 8 Ca -0.13 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.54 2ijx h VAL 8 Cb 1.05 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 31.31 2ijx h VAL 8 CO 0.35 0.00 -0.12 0.03 -1.01 0.00 0.00 177.57 176.83 2ijx h ARG 9 N 0.00 0.00 0.01 4.17 3.08 -1.87 -0.62 114.38 119.15 2ijx h ARG 9 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ijx h ARG 9 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2ijx h ARG 9 CO -0.00 0.12 -0.00 0.28 -1.07 0.00 0.00 179.97 179.29 2ijx h VAL 10 N 0.00 1.20 -0.65 2.04 2.07 -1.80 -0.68 116.25 118.44 2ijx h VAL 10 Ca -0.00 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 2ijx h VAL 10 Cb 0.22 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2ijx h VAL 10 CO 0.02 0.16 0.21 0.25 0.02 0.00 0.00 177.57 178.23 2ijx h LEU 11 N -0.29 0.91 -0.67 2.57 5.85 -1.60 -2.49 115.31 119.59 2ijx h LEU 11 Ca -0.00 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.66 2ijx h LEU 11 Cb 0.28 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 2ijx h LEU 11 CO 0.00 0.85 0.31 0.50 -0.34 0.00 0.00 178.44 179.76 2ijx h LYS 12 N 0.95 0.51 -0.26 1.25 3.11 -0.91 0.15 116.57 121.37 2ijx h LYS 12 Ca 0.21 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.99 2ijx h LYS 12 Cb 0.27 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.37 2ijx h LYS 12 CO -0.01 0.34 0.00 -0.44 -2.81 0.00 0.00 179.45 176.53 2ijx h ASP 13 N 0.52 0.35 0.01 4.20 3.32 -0.67 0.15 116.42 124.31 2ijx h ASP 13 Ca 0.34 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.29 2ijx h ASP 13 Cb 0.39 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2ijx h ASP 13 CO -0.29 0.41 -0.20 0.40 -1.72 0.00 0.00 179.24 177.85 2ijx h ILE 14 N 0.37 1.60 0.00 0.35 2.04 -1.15 -3.25 117.51 117.47 2ijx h ILE 14 Ca 0.09 -2.04 -0.08 0.00 1.00 0.00 0.00 64.86 63.83 2ijx h ILE 14 Cb 0.25 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 2ijx h ILE 14 CO 0.01 0.55 -0.37 0.40 0.00 0.00 0.00 178.15 178.74 2ijx h ILE 15 N -0.64 1.25 -0.79 -0.67 1.08 -0.55 -2.51 117.51 114.69 2ijx h ILE 15 Ca -0.03 -1.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.17 2ijx h ILE 15 Cb 1.01 1.69 -0.04 0.00 -3.07 0.00 0.00 36.82 36.41 2ijx h ILE 15 CO 0.04 0.36 0.51 -0.61 -0.69 0.00 0.00 178.15 177.76 2ijx h GLN 16 N 0.00 1.05 -0.28 2.37 4.15 -0.78 0.42 115.11 122.03 2ijx h GLN 16 Ca -0.00 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 2ijx h GLN 16 Cb 0.66 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2ijx h GLN 16 CO 0.05 0.71 0.10 0.00 -1.93 0.00 0.00 178.83 177.76 2ijx h ALA 17 N 1.28 0.37 -0.74 3.38 0.00 -1.52 -3.15 119.26 118.88 2ijx h ALA 17 Ca 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2ijx h ALA 17 Cb -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2ijx h ALA 17 CO -0.06 -0.02 0.44 1.25 0.00 0.00 0.00 179.25 180.86 2ijx h LEU 18 N 0.30 0.88 -1.51 0.00 5.85 -1.01 -2.69 115.31 117.14 2ijx h LEU 18 Ca 0.09 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 2ijx h LEU 18 Cb 0.21 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2ijx h LEU 18 CO -0.01 0.68 -0.17 0.00 -0.34 0.00 0.00 178.44 178.61 2ijx h ALA 19 N 1.47 1.59 0.00 1.25 0.00 -0.89 -0.13 119.26 122.56 2ijx h ALA 19 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ijx h ALA 19 Cb -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ijx h ALA 19 CO -0.05 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.50 2ijx h ARG 20 N 0.11 0.00 0.05 0.00 2.47 -1.49 -3.37 114.38 112.14 2ijx h ARG 20 Ca 0.02 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.36 2ijx h ARG 20 Cb 0.36 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.63 2ijx h ARG 20 CO 0.02 0.00 -2.30 1.28 0.56 0.00 0.00 179.97 179.54 2ijx n LEU 21 N -2.43 2.84 -3.72 3.04 4.77 -0.13 -5.02 117.00 116.35 2ijx n LEU 21 Ca 0.04 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 2ijx n LEU 21 Cb 0.39 -0.98 -0.08 0.00 -2.33 0.00 0.00 43.42 40.41 2ijx n LEU 21 CO 0.28 0.91 0.09 0.54 -1.33 0.00 0.00 177.39 177.87 2ijx s VAL 22 N -2.53 0.04 0.16 4.08 0.11 -0.80 -2.14 120.40 119.32 2ijx s VAL 22 Ca -0.30 -0.37 0.03 0.00 -2.93 0.00 0.00 61.98 58.41 2ijx s VAL 22 Cb 0.08 -0.66 -0.16 0.00 -1.53 0.00 0.00 36.38 34.10 2ijx s VAL 22 CO 0.67 -0.20 1.36 0.44 -3.33 0.00 0.00 175.10 174.03 2ijx h ASP 23 N 3.87 0.21 -4.71 3.54 3.32 -1.87 -3.41 116.42 117.38 2ijx h ASP 23 Ca -0.29 -0.18 -0.19 0.00 0.02 0.00 0.00 57.03 56.39 2ijx h ASP 23 Cb 1.17 -0.07 -0.22 0.00 0.22 0.00 0.00 39.33 40.43 2ijx h ASP 23 CO 0.39 1.01 -0.71 -1.61 -1.72 0.00 0.00 179.24 176.60 2ijx s GLU 24 N -3.11 0.27 0.29 3.56 2.02 -1.26 -0.84 118.70 119.62 2ijx s GLU 24 Ca -0.02 -0.49 -0.09 0.00 0.02 0.00 0.00 54.97 54.39 2ijx s GLU 24 Cb 0.10 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.38 2ijx s GLU 24 CO 0.83 -0.03 0.48 0.00 0.02 0.00 0.00 175.26 176.56 2ijx s ALA 25 N -1.15 0.16 -0.08 5.21 0.00 -0.42 -4.91 121.76 120.58 2ijx s ALA 25 Ca -0.12 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.70 2ijx s ALA 25 Cb -0.08 1.09 0.02 0.00 0.00 0.00 0.00 23.12 24.15 2ijx s ALA 25 CO -0.01 -0.83 -0.07 0.08 0.00 0.00 0.00 175.76 174.94 2ijx s VAL 26 N -3.54 0.84 -0.22 0.00 1.01 -1.26 -0.86 120.40 116.37 2ijx s VAL 26 Ca 0.26 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 2ijx s VAL 26 Cb -0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2ijx s VAL 26 CO 0.13 0.31 0.58 -0.76 0.00 0.00 0.00 175.10 175.36 2ijx s LEU 27 N 1.26 4.12 -0.37 3.92 2.01 -0.27 -4.46 118.68 124.88 2ijx s LEU 27 Ca -0.04 0.71 -0.11 0.00 0.01 0.00 0.00 54.13 54.70 2ijx s LEU 27 Cb -0.14 -2.79 0.02 0.00 0.01 0.00 0.00 46.19 43.29 2ijx s LEU 27 CO -0.02 -0.26 0.22 -0.54 1.01 0.00 0.00 176.35 176.75 2ijx s LYS 28 N 1.99 2.92 -0.38 1.70 1.02 0.31 -0.72 119.74 126.59 2ijx s LYS 28 Ca 0.26 -1.02 -0.24 0.00 0.02 0.00 0.00 55.97 54.99 2ijx s LYS 28 Cb -0.16 -3.75 0.01 0.00 -0.52 0.00 0.00 37.83 33.41 2ijx s LYS 28 CO 0.10 -0.67 0.82 -0.06 -0.92 0.00 0.00 175.35 174.61 2ijx s PHE 29 N 1.58 3.08 0.49 3.18 0.40 -0.39 -0.54 117.98 125.79 2ijx s PHE 29 Ca 0.03 0.55 0.04 0.00 -0.60 0.00 0.00 56.93 56.95 2ijx s PHE 29 Cb -0.19 -3.51 -0.01 0.00 0.51 0.00 0.00 43.02 39.82 2ijx s PHE 29 CO 0.07 -0.80 0.16 0.15 0.70 0.00 0.00 175.22 175.50 2ijx s LYS 30 N 3.23 2.20 0.31 0.44 1.02 0.25 -1.83 119.74 125.36 2ijx s LYS 30 Ca 0.33 -2.16 0.01 0.00 0.02 0.00 0.00 55.97 54.17 2ijx s LYS 30 Cb -0.13 -1.80 0.55 0.00 -0.52 0.00 0.00 37.83 35.93 2ijx s LYS 30 CO 0.18 -0.37 1.95 1.96 -0.92 0.00 0.00 175.35 178.15 2ijx h GLN 31 N 1.21 0.97 0.00 1.68 4.20 -1.88 -3.18 115.11 118.12 2ijx h GLN 31 Ca -0.42 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2ijx h GLN 31 Cb 1.29 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2ijx h GLN 31 CO 0.69 0.64 -0.97 -0.25 -0.67 0.00 0.00 178.83 178.27 2ijx n ASP 32 N -4.46 0.90 -3.62 1.46 8.00 -1.26 -4.90 116.55 112.67 2ijx n ASP 32 Ca 0.11 -0.63 -0.01 0.00 0.71 0.00 0.00 54.79 54.97 2ijx n ASP 32 Cb 0.14 1.18 -0.01 0.00 -0.02 0.00 0.00 41.12 42.41 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 -2.77 -0.10 -0.17 -2.24 1.04 -1.20 -0.92 113.70 107.35 2ijx s SER 33 Ca 0.03 -0.13 -0.06 0.00 0.48 0.00 0.00 55.95 56.28 2ijx s SER 33 Cb 0.11 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 2ijx s SER 33 CO 0.62 -0.35 0.02 -0.69 0.98 0.00 0.00 173.24 173.82 2ijx s VAL 34 N -2.53 4.38 0.07 5.02 1.01 0.15 -0.58 120.40 127.92 2ijx s VAL 34 Ca 0.12 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.02 2ijx s VAL 34 Cb 0.03 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2ijx s VAL 34 CO -0.04 0.48 -0.25 -1.61 0.00 0.00 0.00 175.10 173.68 2ijx s GLU 35 N 0.33 1.59 -0.05 2.72 2.02 0.30 -0.44 118.70 125.17 2ijx s GLU 35 Ca -0.00 -1.15 -0.04 0.00 0.02 0.00 0.00 54.97 53.80 2ijx s GLU 35 Cb -0.13 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.27 2ijx s GLU 35 CO 0.01 0.46 0.13 -1.17 0.02 0.00 0.00 175.26 174.72 2ijx s LEU 36 N -1.49 1.19 -0.05 1.80 0.20 -0.44 -0.53 118.68 119.36 2ijx s LEU 36 Ca 0.11 0.26 0.01 0.00 0.69 0.00 0.00 54.13 55.21 2ijx s LEU 36 Cb -0.10 0.38 0.02 0.00 -0.43 0.00 0.00 46.19 46.06 2ijx s LEU 36 CO 0.03 -0.09 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.26 2ijx s VAL 37 N 0.55 0.57 -0.06 1.68 1.01 -1.26 -0.41 120.40 122.48 2ijx s VAL 37 Ca -0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2ijx s VAL 37 Cb -0.06 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.76 2ijx s VAL 37 CO -0.02 0.23 0.14 0.00 0.00 0.00 0.00 175.10 175.45 2ijx s ALA 38 N 0.90 -0.31 0.07 5.51 0.00 -0.20 -4.82 121.76 122.91 2ijx s ALA 38 Ca -0.11 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 52.25 2ijx s ALA 38 Cb -0.14 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.56 2ijx s ALA 38 CO 0.00 -0.12 0.47 -0.51 0.00 0.00 0.00 175.76 175.61 2ijx s LEU 39 N 0.67 4.42 1.01 0.00 1.43 -1.26 -1.32 118.68 123.63 2ijx s LEU 39 Ca -0.05 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 2ijx s LEU 39 Cb -0.07 -2.90 0.20 0.00 0.03 0.00 0.00 46.19 43.45 2ijx s LEU 39 CO -0.03 0.23 1.08 1.51 0.23 0.00 0.00 176.35 179.36 2ijx s ASP 40 N -1.39 2.38 0.43 2.29 -4.77 -0.24 -4.75 116.67 110.62 2ijx s ASP 40 Ca 0.30 1.54 0.14 0.00 -3.30 0.00 0.00 52.55 51.24 2ijx s ASP 40 Cb -0.16 -2.21 1.03 0.00 -1.09 0.00 0.00 42.92 40.49 2ijx s ASP 40 CO 0.17 -3.34 1.97 0.08 0.70 0.00 0.00 175.17 174.75 2ijx h ARG 41 N -2.03 0.40 -0.02 2.11 0.11 -1.78 -0.50 114.38 112.67 2ijx h ARG 41 Ca -0.54 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.52 2ijx h ARG 41 Cb 1.31 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2ijx h ARG 41 CO 0.52 0.26 -0.02 0.00 0.10 0.00 0.00 179.97 180.83 2ijx n ALA 42 N -2.52 2.61 -2.56 0.08 0.00 -1.26 -4.94 120.51 111.91 2ijx n ALA 42 Ca 0.11 -0.48 -0.21 0.00 0.00 0.00 0.00 53.44 52.86 2ijx n ALA 42 Cb 0.40 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.27 -1.26 0.14 0.00 8.25 -0.20 -4.87 115.22 117.55 2ijx n HIS 43 Ca 0.18 0.14 0.12 0.00 -0.26 0.00 0.00 57.72 57.89 2ijx n HIS 43 Cb 0.39 -4.12 0.00 0.00 1.12 0.00 0.00 29.99 27.38 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 -4.15 0.58 -3.98 1.59 5.41 -1.26 -4.95 119.36 112.60 2ijx n ILE 44 Ca -0.21 -0.53 -0.10 0.00 1.00 0.00 0.00 62.75 62.91 2ijx n ILE 44 Cb 0.67 -0.30 -0.07 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 -5.24 0.04 -0.11 4.38 1.04 -1.26 -0.83 113.70 111.72 2ijx s SER 45 Ca -0.00 -0.91 -0.06 0.00 0.48 0.00 0.00 55.95 55.47 2ijx s SER 45 Cb 0.10 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.71 2ijx s SER 45 CO 0.79 -0.90 0.26 -0.22 0.98 0.00 0.00 173.24 174.14 2ijx s LEU 46 N -2.98 0.40 -0.05 2.42 2.96 -0.56 -1.08 118.68 119.78 2ijx s LEU 46 Ca 0.19 0.55 0.04 0.00 -0.22 0.00 0.00 54.13 54.69 2ijx s LEU 46 Cb 0.03 0.78 -0.02 0.00 0.50 0.00 0.00 46.19 47.48 2ijx s LEU 46 CO 0.01 -0.17 -0.17 -0.51 -1.32 0.00 0.00 176.35 174.19 2ijx s ILE 47 N 1.24 2.77 -0.04 6.68 2.07 -0.44 -0.89 121.20 132.59 2ijx s ILE 47 Ca -0.09 -0.82 0.01 0.00 -1.41 0.00 0.00 60.65 58.34 2ijx s ILE 47 Cb -0.10 -2.07 0.02 0.00 0.13 0.00 0.00 42.46 40.44 2ijx s ILE 47 CO -0.09 0.58 -0.05 -0.55 -1.91 0.00 0.00 174.94 172.92 2ijx s SER 48 N -0.52 1.00 -0.04 4.50 0.15 -0.29 -1.04 113.70 117.46 2ijx s SER 48 Ca 0.07 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.61 2ijx s SER 48 Cb -0.11 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 2ijx s SER 48 CO 0.01 -0.04 -0.14 -0.69 1.20 0.00 0.00 173.24 173.58 2ijx s VAL 49 N 0.85 1.21 -0.09 4.45 1.01 0.45 -1.06 120.40 127.23 2ijx s VAL 49 Ca -0.12 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 2ijx s VAL 49 Cb -0.15 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.20 2ijx s VAL 49 CO 0.01 0.36 -0.05 0.21 0.00 0.00 0.00 175.10 175.62 2ijx s ASN 50 N 0.19 1.79 -0.33 3.32 2.47 -0.46 -1.33 114.94 120.58 2ijx s ASN 50 Ca -0.06 -0.21 0.03 0.00 0.42 0.00 0.00 52.86 53.05 2ijx s ASN 50 Cb -0.11 -0.65 0.09 0.00 -1.45 0.00 0.00 41.25 39.12 2ijx s ASN 50 CO 0.02 -0.12 0.04 -0.76 -3.72 0.00 0.00 177.10 172.55 2ijx s LEU 51 N 1.60 4.59 0.56 3.21 1.43 0.42 -1.03 118.68 129.45 2ijx s LEU 51 Ca 0.01 -2.01 -0.21 0.00 -1.03 0.00 0.00 54.13 50.89 2ijx s LEU 51 Cb -0.13 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 2ijx s LEU 51 CO -0.05 -0.36 1.34 -2.65 0.23 0.00 0.00 176.35 174.86 2ijx n PRO 52 N 4.32 1.62 0.08 1.29 -0.02 -1.26 -0.68 135.00 140.34 2ijx n PRO 52 Ca 0.00 0.60 0.17 0.00 -2.02 0.00 0.00 63.50 62.25 2ijx n PRO 52 Cb 0.42 -2.56 0.68 0.00 -0.02 0.00 0.00 33.50 32.02 2ijx n PRO 52 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2ijx h ARG 53 N 1.32 0.00 0.00 -0.52 0.11 -1.37 -1.58 114.38 112.34 2ijx h ARG 53 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2ijx h ARG 53 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 2ijx h ARG 53 CO 0.56 0.00 0.00 0.93 0.10 0.00 0.00 179.97 181.56 2ijx h GLU 54 N 0.00 0.00 -0.00 0.08 3.07 -1.90 -1.94 114.58 113.90 2ijx h GLU 54 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 2ijx h GLU 54 Cb 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2ijx h GLU 54 CO -0.00 0.00 -0.04 0.00 -1.40 0.00 0.00 179.01 177.57 2ijx n MET 55 N -2.92 0.22 -3.53 2.33 0.00 -0.59 -4.87 117.12 107.75 2ijx n MET 55 Ca -0.02 -0.02 -0.36 0.00 0.00 0.00 0.00 57.70 57.31 2ijx n MET 55 Cb 0.13 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.80 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 -2.80 3.64 0.19 3.17 0.40 -0.73 -4.76 117.98 117.10 2ijx s PHE 56 Ca 0.20 0.89 -0.07 0.00 -0.60 0.00 0.00 56.93 57.35 2ijx s PHE 56 Cb 0.19 -2.22 0.11 0.00 0.51 0.00 0.00 43.02 41.62 2ijx s PHE 56 CO 0.51 0.56 1.64 -0.22 0.70 0.00 0.00 175.22 178.40 2ijx h LYS 57 N 4.07 0.97 -4.20 0.44 3.64 -1.27 -3.44 116.57 116.77 2ijx h LYS 57 Ca -0.50 -0.34 -0.28 0.00 -1.27 0.00 0.00 60.65 58.26 2ijx h LYS 57 Cb 1.20 -0.07 -0.26 0.00 -0.41 0.00 0.00 32.23 32.69 2ijx h LYS 57 CO 0.64 1.01 -0.74 -1.21 -2.27 0.00 0.00 179.45 176.88 2ijx s GLU 58 N -4.87 0.34 -0.26 1.90 2.02 -1.14 -4.97 118.70 111.73 2ijx s GLU 58 Ca -0.11 -0.31 -0.02 0.00 0.02 0.00 0.00 54.97 54.55 2ijx s GLU 58 Cb 0.13 -0.24 0.14 0.00 0.10 0.00 0.00 34.13 34.27 2ijx s GLU 58 CO 0.85 0.06 0.41 -0.47 0.02 0.00 0.00 175.26 176.13 2ijx s TYR 59 N -0.50 -0.94 -0.32 1.61 5.04 -1.26 -1.20 117.35 119.78 2ijx s TYR 59 Ca -0.03 0.84 -0.01 0.00 -2.44 0.00 0.00 57.07 55.44 2ijx s TYR 59 Cb -0.04 0.05 0.10 0.00 0.35 0.00 0.00 41.96 42.42 2ijx s TYR 59 CO -0.00 -0.78 0.11 0.34 -1.34 0.00 0.00 175.55 173.88 2ijx s ASP 60 N 2.58 3.97 -0.33 4.32 -1.08 0.74 -5.02 116.67 121.85 2ijx s ASP 60 Ca 0.13 -1.70 -0.01 0.00 -0.52 0.00 0.00 52.55 50.45 2ijx s ASP 60 Cb -0.15 -0.85 0.11 0.00 -1.46 0.00 0.00 42.92 40.57 2ijx s ASP 60 CO -0.19 -0.40 0.14 -0.69 0.52 0.00 0.00 175.17 174.55 2ijx s VAL 61 N 1.54 0.59 0.00 1.11 1.01 -1.26 -0.71 120.40 122.68 2ijx s VAL 61 Ca 0.10 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 60.63 2ijx s VAL 61 Cb -0.18 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.75 2ijx s VAL 61 CO -0.23 -0.77 0.69 0.59 0.00 0.00 0.00 175.10 175.37 2ijx n ASN 62 N 4.63 0.00 -4.70 3.32 4.13 -1.26 -4.50 115.26 116.87 2ijx n ASN 62 Ca 0.01 0.83 -0.27 0.00 1.68 0.00 0.00 54.58 56.82 2ijx n ASN 62 Cb 0.40 -0.48 -0.08 0.00 -1.54 0.00 0.00 39.78 38.08 2ijx n ASN 62 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2ijx s ASP 63 N -2.27 4.17 0.30 6.41 -1.08 -1.26 -4.82 116.67 118.12 2ijx s ASP 63 Ca 0.00 -1.30 -0.29 0.00 -0.52 0.00 0.00 52.55 50.43 2ijx s ASP 63 Cb 0.00 -0.23 -0.11 0.00 -1.46 0.00 0.00 42.92 41.13 2ijx s ASP 63 CO 0.00 -0.59 1.45 -0.70 0.52 0.00 0.00 175.17 175.85 2ijx s GLU 64 N -3.85 4.23 -0.12 4.34 2.12 -1.26 -4.94 118.70 119.22 2ijx s GLU 64 Ca 0.32 2.39 0.02 0.00 0.36 0.00 0.00 54.97 58.06 2ijx s GLU 64 Cb 0.06 -3.06 0.01 0.00 0.26 0.00 0.00 34.13 31.40 2ijx s GLU 64 CO 0.17 -0.44 -0.16 0.12 -0.54 0.00 0.00 175.26 174.42 2ijx s PHE 65 N -0.42 2.07 -0.34 5.30 5.36 -0.76 -5.00 117.98 124.19 2ijx s PHE 65 Ca 0.57 -1.01 -0.14 0.00 -0.96 0.00 0.00 56.93 55.40 2ijx s PHE 65 Cb -0.43 -1.49 -0.02 0.00 -0.34 0.00 0.00 43.02 40.74 2ijx s PHE 65 CO 0.50 -0.52 0.28 0.15 -1.46 0.00 0.00 175.22 174.17 2ijx s LYS 66 N 1.03 3.51 -0.46 10.12 1.02 -1.26 -1.26 119.74 132.44 2ijx s LYS 66 Ca -0.05 -0.58 -0.16 0.00 0.02 0.00 0.00 55.97 55.20 2ijx s LYS 66 Cb -0.15 -3.81 0.06 0.00 -0.52 0.00 0.00 37.83 33.41 2ijx s LYS 66 CO -0.03 -0.47 0.41 0.12 -0.92 0.00 0.00 175.35 174.47 2ijx s PHE 67 N 1.81 3.21 -0.12 3.18 5.36 0.11 -4.92 117.98 126.60 2ijx s PHE 67 Ca 0.08 -0.76 -0.11 0.00 -0.96 0.00 0.00 56.93 55.18 2ijx s PHE 67 Cb -0.17 -3.09 -0.05 0.00 -0.34 0.00 0.00 43.02 39.37 2ijx s PHE 67 CO 0.11 -0.78 0.23 0.20 -1.46 0.00 0.00 175.22 173.52 2ijx s GLY 68 N 2.37 2.22 0.08 13.12 0.00 -1.16 -1.11 107.32 122.84 2ijx s GLY 68 Ca 0.06 -0.51 -0.11 0.00 0.00 0.00 0.00 44.72 44.16 2ijx s GLY 68 CO 0.09 0.04 0.26 -0.11 0.00 0.00 0.00 173.10 173.37 2ijx s PHE 69 N -0.39 0.02 -0.14 1.90 -0.12 -0.04 -1.42 117.98 117.78 2ijx s PHE 69 Ca 0.16 -0.35 -0.29 0.00 -0.05 0.00 0.00 56.93 56.39 2ijx s PHE 69 Cb -0.13 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.29 2ijx s PHE 69 CO 0.05 -0.56 1.05 1.21 -0.05 0.00 0.00 175.22 176.92 2ijx s ASN 70 N -2.64 7.16 0.21 1.98 3.84 -1.26 -1.30 114.94 122.93 2ijx s ASN 70 Ca 0.02 1.52 -0.05 0.00 0.21 0.00 0.00 52.86 54.56 2ijx s ASN 70 Cb 0.03 -2.55 0.18 0.00 -0.55 0.00 0.00 41.25 38.36 2ijx s ASN 70 CO -0.09 -0.55 1.66 0.71 -2.79 0.00 0.00 177.10 176.03 2ijx h THR 71 N 5.23 1.26 -0.48 -5.21 1.35 -1.25 -1.48 112.91 112.32 2ijx h THR 71 Ca -0.27 -1.21 -0.10 0.00 -0.55 0.00 0.00 66.41 64.28 2ijx h THR 71 Cb 1.12 1.01 -0.02 0.00 -1.73 0.00 0.00 68.15 68.53 2ijx h THR 71 CO 0.91 0.42 -0.10 -0.61 -0.25 0.00 0.00 175.52 175.89 2ijx h GLN 72 N 0.79 0.88 0.01 4.72 4.15 -1.87 -0.38 115.11 123.41 2ijx h GLN 72 Ca 0.13 -0.30 -0.00 0.00 0.77 0.00 0.00 58.65 59.25 2ijx h GLN 72 Cb 0.62 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2ijx h GLN 72 CO 0.04 0.94 -0.01 -0.92 -1.93 0.00 0.00 178.83 176.95 2ijx h TYR 73 N 0.80 -0.02 -0.60 3.99 3.20 -1.86 -1.72 116.97 120.75 2ijx h TYR 73 Ca 0.13 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.04 2ijx h TYR 73 Cb 0.61 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 2ijx h TYR 73 CO 0.04 0.29 0.35 1.25 -1.64 0.00 0.00 178.16 178.45 2ijx h LEU 74 N -0.33 0.56 -0.59 2.82 5.85 -1.21 -2.35 115.31 120.05 2ijx h LEU 74 Ca -0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.82 2ijx h LEU 74 Cb 0.32 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 2ijx h LEU 74 CO 0.00 0.38 0.23 -0.03 -0.34 0.00 0.00 178.44 178.68 2ijx h MET 75 N 0.68 0.41 -0.74 1.25 4.05 -0.97 -0.30 114.93 119.31 2ijx h MET 75 Ca 0.25 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.61 2ijx h MET 75 Cb 0.07 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.74 2ijx h MET 75 CO -0.12 0.27 0.34 0.87 0.23 0.00 0.00 176.91 178.49 2ijx h LYS 76 N 0.42 1.07 -0.19 0.39 1.57 -0.87 -0.98 116.57 117.98 2ijx h LYS 76 Ca 0.29 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2ijx h LYS 76 Cb 0.34 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2ijx h LYS 76 CO -0.29 0.84 0.04 0.82 -0.57 0.00 0.00 179.45 180.29 2ijx h ILE 77 N 1.06 1.21 0.00 1.86 2.04 -0.85 -3.16 117.51 119.67 2ijx h ILE 77 Ca 0.26 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 2ijx h ILE 77 Cb 0.13 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2ijx h ILE 77 CO -0.03 0.21 -0.14 -0.07 0.00 0.00 0.00 178.15 178.12 2ijx h LEU 78 N 0.12 0.00 -0.00 1.44 3.38 -0.74 -2.94 115.31 116.57 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 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2ijx h LEU 78 CO 0.00 0.14 -0.05 0.29 0.09 0.00 0.00 178.44 178.91 2ijx n LYS 79 N -3.51 0.02 0.27 1.13 5.02 -0.40 -3.66 118.16 117.03 2ijx n LYS 79 Ca -0.01 -0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.39 2ijx n LYS 79 Cb 0.29 -1.50 0.75 0.00 -0.02 0.00 0.00 35.03 34.55 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 0.78 -3.43 -0.18 -1.51 -1.59 -3.41 116.25 106.93 2ijx h VAL 80 Ca 0.00 -0.12 -0.61 0.00 -1.23 0.00 0.00 66.70 64.75 2ijx h VAL 80 Cb 0.49 1.07 -0.11 0.00 -2.13 0.00 0.00 31.29 30.61 2ijx h VAL 80 CO 0.00 0.03 0.31 0.00 -1.23 0.00 0.00 177.57 176.68 2ijx s ALA 81 N -4.77 3.58 -0.49 5.19 0.00 -1.24 -4.92 121.76 119.11 2ijx s ALA 81 Ca -0.05 -0.40 0.22 0.00 0.00 0.00 0.00 51.96 51.73 2ijx s ALA 81 Cb 0.16 -3.19 -0.25 0.00 0.00 0.00 0.00 23.12 19.84 2ijx s ALA 81 CO 0.62 -1.00 0.72 1.63 0.00 0.00 0.00 175.76 177.72 2ijx n LYS 82 N 5.97 0.35 -4.47 0.00 5.02 -1.26 -4.87 118.16 118.89 2ijx n LYS 82 Ca 0.02 -0.09 -0.29 0.00 -2.02 0.00 0.00 58.31 55.93 2ijx n LYS 82 Cb 0.48 -1.52 -0.08 0.00 -0.02 0.00 0.00 35.03 33.89 2ijx n LYS 82 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2ijx s ARG 83 N -3.27 2.14 -0.00 1.97 0.52 -1.26 -5.07 118.95 113.97 2ijx s ARG 83 Ca -0.00 -2.14 -0.30 0.00 -0.52 0.00 0.00 55.73 52.77 2ijx s ARG 83 Cb 0.15 -1.73 -0.07 0.00 0.52 0.00 0.00 34.95 33.81 2ijx s ARG 83 CO 0.88 -0.24 1.82 0.21 0.02 0.00 0.00 175.30 177.99 2ijx s LYS 84 N -3.88 4.16 -0.07 3.54 2.20 -1.26 -4.82 119.74 119.61 2ijx s LYS 84 Ca 0.26 2.41 -0.10 0.00 -0.36 0.00 0.00 55.97 58.19 2ijx s LYS 84 Cb 0.04 -4.07 0.02 0.00 -1.51 0.00 0.00 37.83 32.32 2ijx s LYS 84 CO 0.14 -0.90 0.25 -1.21 -0.36 0.00 0.00 175.35 173.27 2ijx s GLU 85 N 4.22 0.37 0.65 4.03 2.02 -1.26 -5.02 118.70 123.72 2ijx s GLU 85 Ca 0.81 0.19 -0.14 0.00 0.02 0.00 0.00 54.97 55.85 2ijx s GLU 85 Cb -0.38 0.17 -0.01 0.00 0.10 0.00 0.00 34.13 34.01 2ijx s GLU 85 CO 0.36 -0.06 1.09 0.00 0.02 0.00 0.00 175.26 176.66 2ijx s ALA 86 N -0.24 2.56 -0.05 5.21 0.00 -1.23 -0.39 121.76 127.62 2ijx s ALA 86 Ca -0.04 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.40 2ijx s ALA 86 Cb -0.03 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 2ijx s ALA 86 CO 0.01 -1.17 -0.19 -1.50 0.00 0.00 0.00 175.76 172.91 2ijx s ILE 87 N -2.49 1.61 -0.12 0.00 2.07 0.23 -1.38 121.20 121.11 2ijx s ILE 87 Ca 0.64 -0.82 -0.02 0.00 -1.41 0.00 0.00 60.65 59.05 2ijx s ILE 87 Cb -0.18 -1.38 -0.03 0.00 0.13 0.00 0.00 42.46 41.01 2ijx s ILE 87 CO 0.43 0.46 -0.07 -0.70 -1.91 0.00 0.00 174.94 173.15 2ijx s GLU 88 N -0.03 3.33 -0.13 3.50 2.12 -0.21 -0.98 118.70 126.29 2ijx s GLU 88 Ca -0.04 -0.56 0.02 0.00 0.36 0.00 0.00 54.97 54.76 2ijx s GLU 88 Cb -0.12 -2.76 0.01 0.00 0.26 0.00 0.00 34.13 31.52 2ijx s GLU 88 CO 0.03 0.37 -0.21 0.42 -0.54 0.00 0.00 175.26 175.32 2ijx s ILE 89 N -0.01 2.15 0.06 -3.70 1.01 -0.19 -1.13 121.20 119.39 2ijx s ILE 89 Ca -0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 2ijx s ILE 89 Cb -0.14 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 2ijx s ILE 89 CO 0.03 0.55 0.04 0.00 0.00 0.00 0.00 174.94 175.56 2ijx s ALA 90 N 0.72 0.25 -0.19 9.38 0.00 -0.16 -0.76 121.76 131.01 2ijx s ALA 90 Ca -0.09 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 2ijx s ALA 90 Cb -0.16 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.35 2ijx s ALA 90 CO 0.00 -0.40 0.46 0.45 0.00 0.00 0.00 175.76 176.27 2ijx s SER 91 N -2.79 -0.59 0.00 0.00 0.15 -0.56 -0.23 113.70 109.69 2ijx s SER 91 Ca 0.05 0.99 0.12 0.00 0.70 0.00 0.00 55.95 57.81 2ijx s SER 91 Cb 0.06 0.87 -0.08 0.00 -1.71 0.00 0.00 66.02 65.16 2ijx s SER 91 CO -0.10 -0.20 0.59 -0.62 1.20 0.00 0.00 173.24 174.12 2ijx n GLU 92 N 4.24 2.62 -3.88 5.44 4.71 -1.26 -1.45 120.64 131.06 2ijx n GLU 92 Ca -0.23 -0.26 -0.12 0.00 -0.01 0.00 0.00 57.16 56.54 2ijx n GLU 92 Cb 0.56 -1.10 -0.13 0.00 -1.01 0.00 0.00 31.44 29.75 2ijx n GLU 92 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2ijx s SER 93 N -1.92 0.01 0.51 1.62 1.04 -1.26 -5.02 113.70 108.68 2ijx s SER 93 Ca 0.07 -0.02 0.34 0.00 0.48 0.00 0.00 55.95 56.82 2ijx s SER 93 Cb 0.09 0.05 1.71 0.00 0.10 0.00 0.00 66.02 67.97 2ijx s SER 93 CO 0.42 -0.04 2.04 1.55 0.98 0.00 0.00 173.24 178.19 2ijx h PRO 94 N 5.95 0.00 -0.00 4.02 0.13 -2.01 -2.13 132.00 137.96 2ijx h PRO 94 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2ijx h PRO 94 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ijx h PRO 94 CO 0.49 0.00 -0.21 -0.40 -0.23 0.00 0.00 178.00 177.65 2ijx n ASP 95 N -2.80 0.27 -3.93 1.44 5.75 -1.26 -4.68 116.55 111.33 2ijx n ASP 95 Ca -0.01 0.04 -0.15 0.00 -0.01 0.00 0.00 54.79 54.66 2ijx n ASP 95 Cb 0.15 -0.14 -0.14 0.00 -1.03 0.00 0.00 41.12 39.95 2ijx n ASP 95 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2ijx s SER 96 N -2.92 0.50 -0.06 -1.12 0.01 -0.80 -0.56 113.70 108.76 2ijx s SER 96 Ca 0.15 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.37 2ijx s SER 96 Cb 0.19 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.35 2ijx s SER 96 CO 0.59 0.04 -0.15 -0.69 0.41 0.00 0.00 173.24 173.44 2ijx s VAL 97 N -0.02 1.31 -0.20 3.43 1.01 -0.22 -4.43 120.40 121.28 2ijx s VAL 97 Ca 0.01 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2ijx s VAL 97 Cb -0.03 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2ijx s VAL 97 CO -0.00 0.39 0.03 -0.63 0.00 0.00 0.00 175.10 174.89 2ijx s ILE 98 N 0.38 4.34 -0.10 2.22 -1.09 0.68 0.27 121.20 127.91 2ijx s ILE 98 Ca -0.11 -0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.17 2ijx s ILE 98 Cb -0.14 -2.97 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 2ijx s ILE 98 CO 0.04 0.43 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.31 2ijx s ILE 99 N 0.81 1.97 -0.12 2.92 1.01 -0.19 -0.98 121.20 126.62 2ijx s ILE 99 Ca 0.02 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.73 2ijx s ILE 99 Cb -0.14 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.62 2ijx s ILE 99 CO 0.02 0.54 -0.21 0.20 0.00 0.00 0.00 174.94 175.49 2ijx s ASN 100 N 0.36 3.25 -0.34 3.58 -0.87 -0.28 -0.60 114.94 120.04 2ijx s ASN 100 Ca -0.18 -0.54 -0.10 0.00 -1.57 0.00 0.00 52.86 50.47 2ijx s ASN 100 Cb -0.18 -1.46 0.02 0.00 -0.02 0.00 0.00 41.25 39.61 2ijx s ASN 100 CO 0.08 0.13 0.17 -0.63 -2.57 0.00 0.00 177.10 174.28 2ijx s ILE 101 N 0.53 4.43 -0.79 0.60 -1.09 0.62 -1.05 121.20 124.45 2ijx s ILE 101 Ca -0.13 -0.74 -0.10 0.00 -2.23 0.00 0.00 60.65 57.44 2ijx s ILE 101 Cb -0.17 -3.39 0.21 0.00 -1.58 0.00 0.00 42.46 37.53 2ijx s ILE 101 CO 0.04 -0.11 0.70 -0.63 -1.23 0.00 0.00 174.94 173.72 2ijx s ILE 102 N 1.55 5.06 0.00 2.92 1.01 -0.48 -1.26 121.20 130.00 2ijx s ILE 102 Ca 0.02 -2.74 0.00 0.00 0.00 0.00 0.00 60.65 57.94 2ijx s ILE 102 Cb -0.18 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.13 2ijx s ILE 102 CO 0.06 -1.00 0.00 0.61 0.00 0.00 0.00 174.94 174.61 2ijx n GLY 103 N 3.67 4.50 0.34 6.18 0.00 -1.26 -3.54 105.19 115.09 2ijx n GLY 103 Ca 0.13 -1.77 0.09 0.00 0.00 0.00 0.00 46.02 44.47 2ijx n GLY 103 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ijx h SER 104 N 0.00 0.47 -3.88 1.61 4.64 -1.99 -3.36 113.55 111.04 2ijx h SER 104 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 2ijx h SER 104 Cb 0.00 -0.10 -0.21 0.00 -0.31 0.00 0.00 62.40 61.79 2ijx h SER 104 CO 0.00 0.30 -0.79 0.42 -0.87 0.00 0.00 176.83 175.89 2ijx s THR 105 N -5.49 2.90 -0.58 2.95 -4.23 -1.26 -5.08 115.64 104.85 2ijx s THR 105 Ca -0.08 -1.21 -0.24 0.00 -1.18 0.00 0.00 61.69 58.98 2ijx s THR 105 Cb 0.19 -2.25 0.05 0.00 1.34 0.00 0.00 72.50 71.83 2ijx s THR 105 CO 0.75 0.29 0.97 0.21 -0.54 0.00 0.00 174.62 176.30 2ijx s ASN 106 N -1.59 6.30 -0.25 3.99 3.84 -1.26 -4.56 114.94 121.41 2ijx s ASN 106 Ca 0.16 -0.46 -0.16 0.00 0.21 0.00 0.00 52.86 52.61 2ijx s ASN 106 Cb -0.11 -2.44 -0.04 0.00 -0.55 0.00 0.00 41.25 38.12 2ijx s ASN 106 CO 0.07 -1.31 0.41 -0.13 -2.79 0.00 0.00 177.10 173.35 2ijx s ARG 107 N 4.10 4.07 -0.01 0.43 0.52 -0.39 -4.92 118.95 122.74 2ijx s ARG 107 Ca 0.30 0.15 0.05 0.00 -0.52 0.00 0.00 55.73 55.71 2ijx s ARG 107 Cb -0.13 -3.62 -0.03 0.00 0.52 0.00 0.00 34.95 31.69 2ijx s ARG 107 CO 0.18 -0.23 -0.16 -2.00 0.02 0.00 0.00 175.30 173.11 2ijx s GLU 108 N 1.91 2.32 -0.11 3.54 2.12 -1.26 -0.28 118.70 126.94 2ijx s GLU 108 Ca 0.18 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.70 2ijx s GLU 108 Cb -0.15 -2.28 0.02 0.00 0.26 0.00 0.00 34.13 31.97 2ijx s GLU 108 CO 0.09 0.59 -0.12 -0.06 -0.54 0.00 0.00 175.26 175.22 2ijx s PHE 109 N -0.79 1.74 -0.52 5.30 0.40 0.23 -4.98 117.98 119.35 2ijx s PHE 109 Ca 0.13 -0.84 -0.16 0.00 -0.60 0.00 0.00 56.93 55.45 2ijx s PHE 109 Cb -0.11 -1.32 0.11 0.00 0.51 0.00 0.00 43.02 42.21 2ijx s PHE 109 CO 0.02 -0.49 0.47 1.21 0.70 0.00 0.00 175.22 177.13 2ijx s ASN 110 N 1.28 6.18 -0.04 1.36 3.84 -1.26 -1.02 114.94 125.27 2ijx s ASN 110 Ca -0.02 -1.63 -0.02 0.00 0.21 0.00 0.00 52.86 51.40 2ijx s ASN 110 Cb -0.14 -2.20 -0.04 0.00 -0.55 0.00 0.00 41.25 38.32 2ijx s ASN 110 CO -0.05 -0.80 0.10 0.68 -2.79 0.00 0.00 177.10 174.25 2ijx s VAL 111 N 1.64 4.99 -0.00 -5.21 -7.23 0.14 -4.91 120.40 109.82 2ijx s VAL 111 Ca 0.04 -0.20 -0.30 0.00 -1.81 0.00 0.00 61.98 59.70 2ijx s VAL 111 Cb -0.28 -3.25 -0.06 0.00 0.56 0.00 0.00 36.38 33.35 2ijx s VAL 111 CO 0.04 0.44 1.54 -0.60 -0.31 0.00 0.00 175.10 176.21 2ijx s ARG 112 N -1.52 4.23 -0.06 4.82 6.06 -1.26 -1.06 118.95 130.16 2ijx s ARG 112 Ca 0.21 2.13 -0.30 0.00 -2.50 0.00 0.00 55.73 55.27 2ijx s ARG 112 Cb -0.12 -3.71 -0.03 0.00 0.06 0.00 0.00 34.95 31.15 2ijx s ARG 112 CO 0.11 -0.71 1.26 1.21 -2.50 0.00 0.00 175.30 174.67 2ijx s ASN 113 N 2.46 6.99 0.07 -2.12 2.47 0.27 -4.87 114.94 120.21 2ijx s ASN 113 Ca 0.69 1.86 -0.18 0.00 0.42 0.00 0.00 52.86 55.65 2ijx s ASN 113 Cb -0.34 -2.56 -0.07 0.00 -1.45 0.00 0.00 41.25 36.84 2ijx s ASN 113 CO 0.29 -0.64 0.54 -0.76 -3.72 0.00 0.00 177.10 172.80 2ijx s LEU 114 N 2.48 4.50 -0.39 3.21 1.43 -0.51 -4.83 118.68 124.58 2ijx s LEU 114 Ca 0.57 1.19 -0.18 0.00 -1.03 0.00 0.00 54.13 54.69 2ijx s LEU 114 Cb -0.26 -2.87 0.01 0.00 0.03 0.00 0.00 46.19 43.10 2ijx s LEU 114 CO 0.22 0.27 0.51 -1.61 0.23 0.00 0.00 176.35 175.97 2ijx s GLU 115 N -1.18 3.40 -0.12 1.70 0.41 -1.26 -3.00 118.70 118.65 2ijx s GLU 115 Ca 0.29 -0.38 -0.00 0.00 -0.41 0.00 0.00 54.97 54.46 2ijx s GLU 115 Cb -0.19 -3.88 -0.02 0.00 -1.78 0.00 0.00 34.13 28.26 2ijx s GLU 115 CO 0.18 -0.78 -0.11 0.08 -0.49 0.00 0.00 175.26 174.15 2ijx s VAL 116 N 2.40 3.28 -0.11 2.63 1.01 -1.26 -5.08 120.40 123.26 2ijx s VAL 116 Ca 0.17 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 2ijx s VAL 116 Cb -0.16 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 2ijx s VAL 116 CO 0.15 0.53 0.97 -0.44 0.00 0.00 0.00 175.10 176.31 2ijx s SER 117 N 0.14 7.20 -0.07 3.32 0.01 -1.26 -5.01 113.70 118.03 2ijx s SER 117 Ca -0.05 1.47 -0.05 0.00 1.31 0.00 0.00 55.95 58.63 2ijx s SER 117 Cb -0.15 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 2ijx s SER 117 CO 0.04 -0.43 0.15 -1.61 0.41 0.00 0.00 173.24 171.80 2ijx s GLU 118 N 2.01 3.41 0.26 12.44 2.02 -1.26 -5.09 118.70 132.49 2ijx s GLU 118 Ca 0.47 -0.23 -0.26 0.00 0.02 0.00 0.00 54.97 54.97 2ijx s GLU 118 Cb -0.18 -3.13 -0.09 0.00 0.10 0.00 0.00 34.13 30.83 2ijx s GLU 118 CO 0.17 0.73 0.87 -0.65 0.02 0.00 0.00 175.26 176.41 2ijx s GLN 119 N -1.40 4.58 -0.12 1.61 -1.52 -1.26 -5.02 119.66 116.52 2ijx s GLN 119 Ca 0.20 1.25 -0.29 0.00 -1.95 0.00 0.00 55.36 54.56 2ijx s GLN 119 Cb -0.12 -2.99 -0.03 0.00 -0.22 0.00 0.00 33.01 29.65 2ijx s GLN 119 CO 0.10 0.40 1.32 -1.21 -0.25 0.00 0.00 175.29 175.65 2ijx s GLU 120 N -1.70 4.25 -0.27 2.91 2.02 -1.26 -4.99 118.70 119.66 2ijx s GLU 120 Ca 0.44 1.76 -0.03 0.00 0.02 0.00 0.00 54.97 57.17 2ijx s GLU 120 Cb -0.21 -3.74 0.03 0.00 0.10 0.00 0.00 34.13 30.31 2ijx s GLU 120 CO 0.25 -0.67 -0.02 0.42 0.02 0.00 0.00 175.26 175.26 2ijx s ILE 121 N 3.25 3.14 0.52 -1.63 1.01 -1.26 -5.09 121.20 121.13 2ijx s ILE 121 Ca 0.58 -1.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.06 2ijx s ILE 121 Cb -0.25 -2.63 -0.07 0.00 0.01 0.00 0.00 42.46 39.52 2ijx s ILE 121 CO 0.19 0.13 1.00 -2.16 0.00 0.00 0.00 174.94 174.10 2ijx s PRO 122 N 1.35 3.83 -0.43 2.79 0.04 -1.26 -4.88 135.00 136.45 2ijx s PRO 122 Ca -0.00 1.08 -0.28 0.00 0.04 0.00 0.00 61.00 61.84 2ijx s PRO 122 Cb -0.17 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 2ijx s PRO 122 CO -0.02 -0.37 1.81 -2.00 0.04 0.00 0.00 177.00 176.45 2ijx s GLU 123 N -3.85 3.09 -0.02 4.56 2.12 -1.26 -4.92 118.70 118.43 2ijx s GLU 123 Ca 0.61 1.13 -0.30 0.00 0.36 0.00 0.00 54.97 56.77 2ijx s GLU 123 Cb -0.12 -4.26 -0.05 0.00 0.26 0.00 0.00 34.13 29.96 2ijx s GLU 123 CO 0.29 -2.16 1.38 0.42 -0.54 0.00 0.00 175.26 174.65 2ijx s ILE 124 N 7.64 3.80 -0.24 -3.70 1.01 -1.26 -5.01 121.20 123.44 2ijx s ILE 124 Ca 0.75 1.17 0.01 0.00 0.00 0.00 0.00 60.65 62.58 2ijx s ILE 124 Cb -0.18 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.59 2ijx s ILE 124 CO 0.29 -0.01 -0.07 0.20 0.00 0.00 0.00 174.94 175.35 2ijx s ASN 125 N 1.87 4.01 0.07 3.58 0.02 -1.26 -5.13 114.94 118.11 2ijx s ASN 125 Ca 0.63 -1.23 0.08 0.00 -1.02 0.00 0.00 52.86 51.31 2ijx s ASN 125 Cb -0.30 -1.29 -0.03 0.00 0.02 0.00 0.00 41.25 39.65 2ijx s ASN 125 CO 0.25 -0.22 -0.20 -0.22 0.02 0.00 0.00 177.10 176.73 2ijx s LEU 126 N 1.31 2.23 -0.23 0.60 2.96 -1.26 -5.11 118.68 119.19 2ijx s LEU 126 Ca -0.07 -0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 53.18 2ijx s LEU 126 Cb -0.19 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 2ijx s LEU 126 CO -0.06 0.10 0.03 0.00 -1.32 0.00 0.00 176.35 175.11 2ijx s GLN 127 N -1.53 3.62 0.33 1.98 -2.07 -1.26 -5.11 119.66 115.63 2ijx s GLN 127 Ca 0.07 -0.51 0.02 0.00 -1.82 0.00 0.00 55.36 53.12 2ijx s GLN 127 Cb -0.09 -3.20 -0.03 0.00 -1.09 0.00 0.00 33.01 28.60 2ijx s GLN 127 CO 0.03 -0.10 0.51 -0.06 -1.32 0.00 0.00 175.29 174.35 2ijx s PHE 128 N 1.34 3.42 -0.07 9.60 0.08 -1.26 -4.98 117.98 126.10 2ijx s PHE 128 Ca 0.05 0.19 0.14 0.00 0.12 0.00 0.00 56.93 57.42 2ijx s PHE 128 Cb -0.15 -1.88 -0.22 0.00 -0.57 0.00 0.00 43.02 40.20 2ijx s PHE 128 CO 0.02 0.12 0.62 -0.25 -0.10 0.00 0.00 175.22 175.63 2ijx n ASP 129 N -1.72 0.77 -3.92 1.36 8.00 -0.42 -4.89 116.55 115.75 2ijx n ASP 129 Ca -0.05 0.37 -0.13 0.00 0.71 0.00 0.00 54.79 55.69 2ijx n ASP 129 Cb 0.57 0.08 -0.14 0.00 -0.02 0.00 0.00 41.12 41.61 2ijx n ASP 129 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ijx s ILE 130 N -2.63 0.17 0.04 0.53 -1.09 -0.73 -1.41 121.20 116.09 2ijx s ILE 130 Ca -0.05 -0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.22 2ijx s ILE 130 Cb 0.08 -0.17 -0.02 0.00 -1.58 0.00 0.00 42.46 40.77 2ijx s ILE 130 CO 0.82 -0.01 -0.11 -0.44 -1.23 0.00 0.00 174.94 173.98 2ijx s SER 131 N -0.21 1.23 -0.05 3.58 0.01 -0.77 -1.49 113.70 116.00 2ijx s SER 131 Ca -0.01 -0.46 -0.19 0.00 1.31 0.00 0.00 55.95 56.61 2ijx s SER 131 Cb -0.02 -0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.21 2ijx s SER 131 CO -0.00 -0.06 0.42 0.00 0.41 0.00 0.00 173.24 174.01 2ijx s ALA 132 N -0.99 -1.07 -0.29 1.44 0.00 -0.24 -0.39 121.76 120.23 2ijx s ALA 132 Ca -0.03 0.72 -0.07 0.00 0.00 0.00 0.00 51.96 52.58 2ijx s ALA 132 Cb -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2ijx s ALA 132 CO 0.01 -0.28 0.09 0.99 0.00 0.00 0.00 175.76 176.58 2ijx s THR 133 N -1.02 4.15 0.20 0.00 2.01 0.01 -0.47 115.64 120.52 2ijx s THR 133 Ca -0.11 -0.56 0.09 0.00 0.31 0.00 0.00 61.69 61.42 2ijx s THR 133 Cb -0.04 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2ijx s THR 133 CO 0.05 0.11 -0.17 0.27 -0.69 0.00 0.00 174.62 174.19 2ijx s ILE 134 N 1.54 1.89 -0.02 1.82 -4.36 -0.44 -0.63 121.20 120.99 2ijx s ILE 134 Ca 0.04 -2.10 -0.35 0.00 -0.26 0.00 0.00 60.65 57.97 2ijx s ILE 134 Cb -0.17 -1.99 -0.14 0.00 1.25 0.00 0.00 42.46 41.42 2ijx s ILE 134 CO 0.03 -0.43 1.70 -0.24 0.24 0.00 0.00 174.94 176.24 2ijx n SER 135 N -0.10 2.95 0.10 4.36 2.88 0.21 -1.27 113.62 122.75 2ijx n SER 135 Ca -0.10 1.04 -0.01 0.00 -1.33 0.00 0.00 58.87 58.47 2ijx n SER 135 Cb 0.59 -1.33 0.25 0.00 -0.75 0.00 0.00 64.21 62.97 2ijx n SER 135 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2ijx h SER 136 N 7.33 0.22 -0.31 -3.46 4.64 -1.30 -0.40 113.55 120.26 2ijx h SER 136 Ca -0.47 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 60.75 2ijx h SER 136 Cb 1.28 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2ijx h SER 136 CO 0.91 0.59 0.15 0.44 -0.87 0.00 0.00 176.83 178.05 2ijx h ASP 137 N 0.19 0.41 -0.45 4.97 3.32 -1.90 -0.59 116.42 122.36 2ijx h ASP 137 Ca 0.02 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 2ijx h ASP 137 Cb 0.76 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2ijx h ASP 137 CO 0.06 0.41 0.11 1.23 -1.72 0.00 0.00 179.24 179.33 2ijx h GLY 138 N 0.37 0.78 0.79 2.75 0.00 -1.87 -1.24 103.07 104.66 2ijx h GLY 138 Ca 0.11 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2ijx h GLY 138 CO -0.01 0.46 0.01 -2.75 0.00 0.00 0.00 176.54 174.24 2ijx h PHE 139 N 0.60 0.05 -0.35 5.60 3.04 -0.93 -1.68 116.94 123.28 2ijx h PHE 139 Ca 0.14 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.14 2ijx h PHE 139 Cb 0.32 -0.01 -0.05 0.00 2.56 0.00 0.00 35.95 38.77 2ijx h PHE 139 CO 0.02 0.25 0.05 -0.22 -2.02 0.00 0.00 178.31 176.39 2ijx h LYS 140 N -0.16 0.16 -0.44 1.11 3.64 -1.07 -0.64 116.57 119.17 2ijx h LYS 140 Ca 0.01 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2ijx h LYS 140 Cb 0.22 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 2ijx h LYS 140 CO -0.00 0.11 0.10 0.77 -2.27 0.00 0.00 179.45 178.15 2ijx h SER 141 N 0.17 0.03 -0.18 4.20 0.02 -1.14 -0.32 113.55 116.32 2ijx h SER 141 Ca 0.17 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2ijx h SER 141 Cb 0.20 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2ijx h SER 141 CO -0.24 0.05 0.05 0.00 -1.14 0.00 0.00 176.83 175.55 2ijx h ALA 142 N 1.33 0.24 -0.29 3.77 0.00 -0.85 -1.50 119.26 121.95 2ijx h ALA 142 Ca 0.21 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2ijx h ALA 142 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ijx h ALA 142 CO -0.27 -0.12 -0.25 0.82 0.00 0.00 0.00 179.25 179.43 2ijx h ILE 143 N 0.11 1.30 0.03 0.00 1.08 -1.00 -1.40 117.51 117.63 2ijx h ILE 143 Ca 0.06 -1.40 -0.00 0.00 -0.39 0.00 0.00 64.86 63.12 2ijx h ILE 143 Cb 0.26 1.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 2ijx h ILE 143 CO -0.00 0.45 -0.02 -1.28 -0.69 0.00 0.00 178.15 176.61 2ijx h SER 144 N 0.42 -0.04 -0.07 1.72 0.87 -1.02 0.24 113.55 115.66 2ijx h SER 144 Ca 0.05 -0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2ijx h SER 144 Cb 0.81 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2ijx h SER 144 CO 0.06 0.02 0.02 -0.33 -0.53 0.00 0.00 176.83 176.07 2ijx h GLU 145 N -0.09 0.05 -0.60 2.24 4.39 -1.22 -3.09 114.58 116.26 2ijx h GLU 145 Ca -0.00 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2ijx h GLU 145 Cb 0.08 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 2ijx h GLU 145 CO 0.01 0.03 0.31 0.28 -1.16 0.00 0.00 179.01 178.49 2ijx h VAL 146 N 0.05 1.20 0.00 3.13 2.07 -1.12 -2.61 116.25 118.97 2ijx h VAL 146 Ca 0.03 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2ijx h VAL 146 Cb 0.02 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2ijx h VAL 146 CO -0.04 0.23 0.00 0.77 0.02 0.00 0.00 177.57 178.55 2ijx h SER 147 N 0.82 0.00 0.93 0.57 4.64 -0.87 -1.76 113.55 117.88 2ijx h SER 147 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2ijx h SER 147 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2ijx h SER 147 CO -0.03 0.00 -0.06 0.35 -0.87 0.00 0.00 176.83 176.22 2ijx n THR 148 N -2.48 0.00 0.00 2.95 -2.24 -0.98 -4.18 114.28 107.35 2ijx n THR 148 Ca -0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2ijx n THR 148 Cb 0.07 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2ijx n THR 148 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2ijx n VAL 149 N -1.49 0.00 -3.65 2.28 0.24 -0.74 -5.11 118.33 109.86 2ijx n VAL 149 Ca 0.07 -0.06 -0.14 0.00 -2.04 0.00 0.00 64.34 62.17 2ijx n VAL 149 Cb 0.34 0.43 -0.07 0.00 -1.47 0.00 0.00 33.84 33.07 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 -0.93 0.04 -1.77 3.34 -1.32 -0.75 -5.02 115.64 109.23 2ijx s THR 150 Ca 0.00 -0.33 0.30 0.00 -1.21 0.00 0.00 61.69 60.45 2ijx s THR 150 Cb 0.00 -0.85 0.58 0.00 -1.51 0.00 0.00 72.50 70.72 2ijx s THR 150 CO 0.00 -0.18 1.97 -0.67 -2.21 0.00 0.00 174.62 173.53 2ijx n ASP 151 N 0.85 0.37 -4.23 8.08 2.03 -1.26 -3.96 116.55 118.42 2ijx n ASP 151 Ca -0.20 -0.68 -0.42 0.00 0.52 0.00 0.00 54.79 54.02 2ijx n ASP 151 Cb 0.58 -0.09 -0.07 0.00 -0.72 0.00 0.00 41.12 40.82 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 -2.34 5.85 -0.14 1.67 0.01 -1.26 -0.45 114.94 118.28 2ijx s ASN 152 Ca 0.34 -2.03 -0.05 0.00 -0.71 0.00 0.00 52.86 50.41 2ijx s ASN 152 Cb 0.21 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 2ijx s ASN 152 CO 0.44 -0.69 0.04 0.54 -1.51 0.00 0.00 177.10 175.92 2ijx s VAL 153 N 1.20 4.66 -0.21 1.60 0.11 -0.68 -1.53 120.40 125.55 2ijx s VAL 153 Ca 0.07 -0.10 -0.09 0.00 -2.93 0.00 0.00 61.98 58.94 2ijx s VAL 153 Cb -0.25 -3.04 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 2ijx s VAL 153 CO -0.01 0.53 0.11 -0.69 -3.33 0.00 0.00 175.10 171.71 2ijx s VAL 154 N -0.23 5.05 -0.19 2.04 1.01 0.69 -0.92 120.40 127.84 2ijx s VAL 154 Ca 0.07 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 2ijx s VAL 154 Cb -0.12 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2ijx s VAL 154 CO 0.02 0.41 -0.01 -0.69 0.00 0.00 0.00 175.10 174.83 2ijx s VAL 155 N 0.67 3.88 -0.10 2.92 1.01 -0.34 -1.29 120.40 127.15 2ijx s VAL 155 Ca 0.06 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.73 2ijx s VAL 155 Cb -0.13 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2ijx s VAL 155 CO 0.01 0.44 -0.21 -0.70 0.00 0.00 0.00 175.10 174.64 2ijx s GLU 156 N 0.94 2.77 -0.22 2.72 2.12 -0.53 -1.74 118.70 124.76 2ijx s GLU 156 Ca 0.01 -0.78 -0.01 0.00 0.36 0.00 0.00 54.97 54.54 2ijx s GLU 156 Cb -0.14 -2.14 0.01 0.00 0.26 0.00 0.00 34.13 32.12 2ijx s GLU 156 CO 0.02 0.12 -0.10 0.20 -0.54 0.00 0.00 175.26 174.96 2ijx s GLY 157 N 0.48 1.54 0.47 -1.50 0.00 0.96 -0.93 107.32 108.34 2ijx s GLY 157 Ca -0.16 -1.29 0.06 0.00 0.00 0.00 0.00 44.72 43.32 2ijx s GLY 157 CO 0.06 0.41 0.28 0.30 0.00 0.00 0.00 173.10 174.15 2ijx s HIS 158 N 1.36 2.22 0.43 1.90 3.76 -0.67 -1.98 115.29 122.30 2ijx s HIS 158 Ca 0.03 -0.69 0.20 0.00 -0.15 0.00 0.00 55.06 54.46 2ijx s HIS 158 Cb -0.15 -1.95 1.15 0.00 1.11 0.00 0.00 32.58 32.74 2ijx s HIS 158 CO -0.07 -0.09 1.83 0.93 -0.85 0.00 0.00 174.74 176.48 2ijx h GLU 159 N 1.12 0.33 0.00 1.40 3.07 -2.00 -3.27 114.58 115.23 2ijx h GLU 159 Ca -0.41 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2ijx h GLU 159 Cb 1.28 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2ijx h GLU 159 CO 0.64 0.22 0.00 -0.40 -1.40 0.00 0.00 179.01 178.07 2ijx n ASP 160 N -4.51 1.19 -3.55 1.42 5.75 -1.26 -4.95 116.55 110.63 2ijx n ASP 160 Ca 0.22 -1.58 -0.09 0.00 -0.01 0.00 0.00 54.79 53.32 2ijx n ASP 160 Cb 0.82 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.87 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 -0.58 0.63 -0.08 0.11 1.70 -1.23 -4.53 118.95 114.96 2ijx s ARG 161 Ca 0.00 -0.04 0.01 0.00 -0.47 0.00 0.00 55.73 55.23 2ijx s ARG 161 Cb 0.00 0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 2ijx s ARG 161 CO 0.00 -0.24 -0.11 0.42 -1.08 0.00 0.00 175.30 174.29 2ijx s ILE 162 N -1.97 3.31 -0.04 4.99 -1.09 -0.54 -1.68 121.20 124.18 2ijx s ILE 162 Ca 0.02 -0.61 0.07 0.00 -2.23 0.00 0.00 60.65 57.90 2ijx s ILE 162 Cb -0.01 -2.35 -0.02 0.00 -1.58 0.00 0.00 42.46 38.51 2ijx s ILE 162 CO -0.03 0.57 -0.24 -0.76 -1.23 0.00 0.00 174.94 173.24 2ijx s LEU 163 N -0.39 2.13 -0.08 2.97 1.43 -0.10 -0.11 118.68 124.53 2ijx s LEU 163 Ca 0.05 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 2ijx s LEU 163 Cb -0.12 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 2ijx s LEU 163 CO 0.02 0.30 -0.20 -0.63 0.23 0.00 0.00 176.35 176.07 2ijx s ILE 164 N -0.47 2.53 0.22 -0.59 1.01 0.10 -1.45 121.20 122.54 2ijx s ILE 164 Ca 0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 2ijx s ILE 164 Cb -0.11 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 2ijx s ILE 164 CO 0.01 0.56 0.35 -1.59 0.00 0.00 0.00 174.94 174.26 2ijx s LYS 165 N -0.09 1.40 0.06 2.79 -2.85 -0.41 -0.64 119.74 119.99 2ijx s LYS 165 Ca -0.04 -1.37 -0.30 0.00 -1.00 0.00 0.00 55.97 53.26 2ijx s LYS 165 Cb -0.14 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 35.98 2ijx s LYS 165 CO 0.04 -0.54 1.00 0.00 0.10 0.00 0.00 175.35 175.95 2ijx s ALA 166 N -4.06 3.22 0.18 0.59 0.00 -1.26 -0.22 121.76 120.20 2ijx s ALA 166 Ca 0.27 0.59 -0.33 0.00 0.00 0.00 0.00 51.96 52.49 2ijx s ALA 166 Cb 0.02 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.68 2ijx s ALA 166 CO 0.09 -0.17 1.58 -1.91 0.00 0.00 0.00 175.76 175.36 2ijx n GLU 167 N 3.40 2.23 -0.29 0.00 2.13 -0.58 -2.20 120.64 125.33 2ijx n GLU 167 Ca 0.05 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.67 2ijx n GLU 167 Cb 0.50 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.63 2ijx n GLU 167 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ijx n GLY 168 N 3.35 0.67 3.52 8.31 0.00 -1.26 -5.03 105.19 114.76 2ijx n GLY 168 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2ijx n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ijx s GLU 169 N -0.71 2.75 0.32 1.61 2.02 -0.94 -5.00 118.70 118.75 2ijx s GLU 169 Ca 0.00 -0.61 0.17 0.00 0.02 0.00 0.00 54.97 54.55 2ijx s GLU 169 Cb 0.00 -2.53 0.23 0.00 0.10 0.00 0.00 34.13 31.93 2ijx s GLU 169 CO 0.00 0.60 1.52 0.66 0.02 0.00 0.00 175.26 178.06 2ijx h SER 170 N 5.46 0.00 -3.87 -0.19 4.64 -1.98 -3.45 113.55 114.16 2ijx h SER 170 Ca -0.45 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.35 2ijx h SER 170 Cb 1.17 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.32 2ijx h SER 170 CO 0.52 0.42 0.63 -1.61 -0.87 0.00 0.00 176.83 175.92 2ijx s GLU 171 N -3.10 4.38 0.05 4.77 8.01 -1.26 -4.99 118.70 126.55 2ijx s GLU 171 Ca 0.04 2.19 -0.26 0.00 0.01 0.00 0.00 54.97 56.95 2ijx s GLU 171 Cb 0.08 -3.08 -0.05 0.00 -4.31 0.00 0.00 34.13 26.77 2ijx s GLU 171 CO 0.72 -0.16 0.79 0.14 0.01 0.00 0.00 175.26 176.76 2ijx s VAL 172 N -1.13 4.72 -0.07 2.63 -7.23 -1.26 -4.66 120.40 113.40 2ijx s VAL 172 Ca 0.49 1.68 -0.26 0.00 -1.81 0.00 0.00 61.98 62.08 2ijx s VAL 172 Cb -0.39 -4.14 -0.21 0.00 0.56 0.00 0.00 36.38 32.20 2ijx s VAL 172 CO 0.52 0.35 1.03 -0.08 -0.31 0.00 0.00 175.10 176.61 2ijx h GLU 173 N 5.71 -0.03 -3.09 4.82 4.57 -1.25 -3.46 114.58 121.86 2ijx h GLU 173 Ca -0.44 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.56 2ijx h GLU 173 Cb 1.21 0.01 -0.29 0.00 -0.16 0.00 0.00 28.75 29.52 2ijx h GLU 173 CO 0.71 0.60 -0.48 0.08 -1.18 0.00 0.00 179.01 178.75 2ijx s VAL 174 N -3.44 -0.03 -0.16 0.32 1.01 -0.93 -4.97 120.40 112.20 2ijx s VAL 174 Ca -0.16 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2ijx s VAL 174 Cb -0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2ijx s VAL 174 CO 0.64 0.04 0.04 -0.70 0.00 0.00 0.00 175.10 175.12 2ijx s GLU 175 N 0.88 3.71 -0.26 2.72 2.12 -1.26 -0.72 118.70 125.88 2ijx s GLU 175 Ca -0.06 -0.37 -0.04 0.00 0.36 0.00 0.00 54.97 54.86 2ijx s GLU 175 Cb -0.08 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 31.24 2ijx s GLU 175 CO -0.05 0.39 -0.01 -0.06 -0.54 0.00 0.00 175.26 174.98 2ijx s PHE 176 N 0.03 3.08 0.30 5.30 0.08 0.84 -4.78 117.98 122.83 2ijx s PHE 176 Ca 0.04 -1.23 -0.14 0.00 0.12 0.00 0.00 56.93 55.72 2ijx s PHE 176 Cb -0.12 -2.14 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 2ijx s PHE 176 CO 0.01 -0.64 0.61 -1.54 -0.10 0.00 0.00 175.22 173.56 2ijx s SER 177 N 1.42 0.04 0.27 1.36 1.04 -1.26 -1.47 113.70 115.09 2ijx s SER 177 Ca 0.02 -0.98 0.01 0.00 0.48 0.00 0.00 55.95 55.48 2ijx s SER 177 Cb -0.16 0.69 0.38 0.00 0.10 0.00 0.00 66.02 67.02 2ijx s SER 177 CO -0.02 -1.34 1.72 0.11 0.98 0.00 0.00 173.24 174.69 2ijx h LYS 178 N 2.11 0.55 -0.58 4.02 1.79 -1.81 0.12 116.57 122.77 2ijx h LYS 178 Ca -0.26 -0.20 -0.08 0.00 -2.18 0.00 0.00 60.65 57.93 2ijx h LYS 178 Cb 1.25 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.84 2ijx h LYS 178 CO 0.34 0.74 0.05 -0.44 -1.08 0.00 0.00 179.45 179.06 2ijx h ASP 179 N 0.49 0.92 0.69 0.86 3.32 -1.96 -3.01 116.42 117.72 2ijx h ASP 179 Ca 0.08 -0.22 -0.17 0.00 0.02 0.00 0.00 57.03 56.73 2ijx h ASP 179 Cb 0.65 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 2ijx h ASP 179 CO 0.05 0.95 -0.79 0.71 -1.72 0.00 0.00 179.24 178.43 2ijx h THR 180 N 0.89 1.52 0.00 0.35 1.35 -1.84 -3.48 112.91 111.70 2ijx h THR 180 Ca 0.17 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 2ijx h THR 180 Cb 0.45 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2ijx h THR 180 CO 0.02 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 2ijx n GLY 181 N 0.72 0.76 0.69 5.82 0.00 0.39 -4.91 105.19 108.66 2ijx n GLY 181 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.15 0.54 3.07 -0.02 0.00 -1.16 -4.86 105.19 100.61 2ijx n GLY 182 Ca 0.00 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.74 2.61 -0.13 0.99 2.96 -1.23 -0.62 118.68 121.52 2ijx s LEU 183 Ca 0.34 -0.95 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 2ijx s LEU 183 Cb 0.20 -1.44 -0.24 0.00 0.50 0.00 0.00 46.19 45.20 2ijx s LEU 183 CO 0.30 -0.10 0.33 1.67 -1.32 0.00 0.00 176.35 177.23 2ijx n GLN 184 N 4.57 0.72 -3.58 1.98 7.27 0.20 -4.61 117.38 123.93 2ijx n GLN 184 Ca -0.17 0.24 -0.16 0.00 0.07 0.00 0.00 57.00 56.98 2ijx n GLN 184 Cb 0.47 -1.69 -0.07 0.00 2.41 0.00 0.00 30.24 31.36 2ijx n GLN 184 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2ijx s ASP 185 N -6.73 -0.68 -0.05 1.69 1.01 -1.22 -4.97 116.67 105.72 2ijx s ASP 185 Ca -0.20 1.00 -0.01 0.00 0.71 0.00 0.00 52.55 54.05 2ijx s ASP 185 Cb 0.07 0.92 0.03 0.00 1.01 0.00 0.00 42.92 44.95 2ijx s ASP 185 CO 0.76 -0.44 0.01 -0.22 0.21 0.00 0.00 175.17 175.49 2ijx s LEU 186 N -0.51 0.75 -0.28 1.23 0.20 -1.26 -0.81 118.68 118.01 2ijx s LEU 186 Ca -0.06 -0.02 -0.07 0.00 0.69 0.00 0.00 54.13 54.66 2ijx s LEU 186 Cb -0.02 -0.28 -0.01 0.00 -0.43 0.00 0.00 46.19 45.45 2ijx s LEU 186 CO 0.06 -0.16 0.08 -1.61 -0.29 0.00 0.00 176.35 174.43 2ijx s GLU 187 N 1.58 3.38 -0.18 1.98 2.02 0.48 -5.00 118.70 122.96 2ijx s GLU 187 Ca -0.02 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.30 2ijx s GLU 187 Cb -0.13 -3.37 -0.00 0.00 0.10 0.00 0.00 34.13 30.73 2ijx s GLU 187 CO -0.03 -0.32 -0.12 0.12 0.02 0.00 0.00 175.26 174.92 2ijx s PHE 188 N 1.57 2.84 -0.20 1.61 5.36 -1.26 -1.85 117.98 126.05 2ijx s PHE 188 Ca 0.05 -1.09 -0.10 0.00 -0.96 0.00 0.00 56.93 54.83 2ijx s PHE 188 Cb -0.16 -1.96 -0.09 0.00 -0.34 0.00 0.00 43.02 40.47 2ijx s PHE 188 CO 0.03 -0.54 -0.25 0.45 -1.46 0.00 0.00 175.22 173.45 2ijx n SER 189 N 4.36 1.42 -3.59 6.13 2.88 -0.50 -5.04 113.62 119.28 2ijx n SER 189 Ca -0.19 0.23 -0.15 0.00 -1.33 0.00 0.00 58.87 57.43 2ijx n SER 189 Cb 0.51 -0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 63.34 2ijx n SER 189 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2ijx s LYS 190 N -2.36 0.99 0.34 -1.46 -2.85 -0.97 -5.08 119.74 108.35 2ijx s LYS 190 Ca -0.28 -0.10 -0.29 0.00 -1.00 0.00 0.00 55.97 54.30 2ijx s LYS 190 Cb 0.11 0.46 -0.12 0.00 -2.06 0.00 0.00 37.83 36.21 2ijx s LYS 190 CO 0.35 -0.34 1.44 -1.91 0.10 0.00 0.00 175.35 174.99 2ijx n GLU 191 N 0.65 2.44 -3.95 1.78 4.07 -1.26 -4.55 120.64 119.82 2ijx n GLU 191 Ca -0.19 0.86 -0.10 0.00 -0.06 0.00 0.00 57.16 57.67 2ijx n GLU 191 Cb 0.59 -2.54 -0.12 0.00 -0.06 0.00 0.00 31.44 29.31 2ijx n GLU 191 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2ijx s SER 192 N -0.03 0.18 -0.20 4.31 0.01 -0.84 -4.85 113.70 112.28 2ijx s SER 192 Ca 0.57 -0.39 -0.06 0.00 1.31 0.00 0.00 55.95 57.39 2ijx s SER 192 Cb -0.53 0.09 0.10 0.00 0.21 0.00 0.00 66.02 65.89 2ijx s SER 192 CO 0.59 -0.24 0.40 -0.75 0.41 0.00 0.00 173.24 173.64 2ijx s LYS 193 N -1.17 0.31 0.02 12.44 2.20 -1.26 -0.03 119.74 132.26 2ijx s LYS 193 Ca -0.13 0.91 -0.09 0.00 -0.36 0.00 0.00 55.97 56.30 2ijx s LYS 193 Cb -0.08 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 2ijx s LYS 193 CO -0.01 -0.33 0.19 1.21 -0.36 0.00 0.00 175.35 176.05 2ijx s ASN 194 N 2.58 0.01 0.12 1.43 2.47 -0.71 -4.68 114.94 116.16 2ijx s ASN 194 Ca 0.01 -0.27 -0.00 0.00 0.42 0.00 0.00 52.86 53.03 2ijx s ASN 194 Cb -0.13 0.26 -0.04 0.00 -1.45 0.00 0.00 41.25 39.90 2ijx s ASN 194 CO -0.13 -0.49 0.28 -0.44 -3.72 0.00 0.00 177.10 172.60 2ijx s SER 195 N -1.78 6.38 0.09 -4.21 0.01 -1.26 -1.20 113.70 111.72 2ijx s SER 195 Ca -0.09 0.31 -0.04 0.00 1.31 0.00 0.00 55.95 57.44 2ijx s SER 195 Cb -0.04 -1.97 -0.03 0.00 0.21 0.00 0.00 66.02 64.20 2ijx s SER 195 CO -0.01 0.09 0.09 -0.31 0.41 0.00 0.00 173.24 173.51 2ijx s TYR 196 N -1.65 0.48 -0.17 2.43 1.51 -0.10 -1.59 117.35 118.27 2ijx s TYR 196 Ca 0.36 -0.94 -0.29 0.00 -1.01 0.00 0.00 57.07 55.19 2ijx s TYR 196 Cb -0.12 -0.28 -0.02 0.00 -0.11 0.00 0.00 41.96 41.43 2ijx s TYR 196 CO 0.28 -0.50 1.38 0.45 -1.11 0.00 0.00 175.55 176.05 2ijx s SER 197 N -2.94 6.79 0.34 2.29 0.15 -1.26 -1.69 113.70 117.39 2ijx s SER 197 Ca 0.12 1.71 0.15 0.00 0.70 0.00 0.00 55.95 58.63 2ijx s SER 197 Cb 0.06 -2.54 0.59 0.00 -1.71 0.00 0.00 66.02 62.43 2ijx s SER 197 CO -0.06 -0.89 1.71 0.00 1.20 0.00 0.00 173.24 175.19 2ijx h ALA 198 N 8.89 1.04 -0.17 5.45 0.00 -1.02 -2.44 119.26 131.00 2ijx h ALA 198 Ca -0.29 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 2ijx h ALA 198 Cb 1.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2ijx h ALA 198 CO 0.98 0.56 -0.00 0.93 0.00 0.00 0.00 179.25 181.72 2ijx h GLU 199 N 0.00 0.29 -0.63 0.00 5.08 -1.84 -0.41 114.58 117.07 2ijx h GLU 199 Ca -0.00 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2ijx h GLU 199 Cb 0.92 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 2ijx h GLU 199 CO 0.06 0.52 0.25 1.88 -1.00 0.00 0.00 179.01 180.71 2ijx h TYR 200 N 0.04 0.93 -0.25 4.33 -1.99 -1.93 -1.56 116.97 116.54 2ijx h TYR 200 Ca 0.05 -0.06 -0.18 0.00 2.00 0.00 0.00 58.73 60.54 2ijx h TYR 200 Cb 0.39 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.84 2ijx h TYR 200 CO 0.04 0.72 -0.55 -0.07 -0.00 0.00 0.00 178.16 178.29 2ijx h LEU 201 N 0.91 0.92 -1.09 3.88 3.38 -1.39 -2.66 115.31 119.26 2ijx h LEU 201 Ca 0.21 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.69 2ijx h LEU 201 Cb 0.18 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 2ijx h LEU 201 CO -0.02 1.30 0.61 -0.78 0.09 0.00 0.00 178.44 179.65 2ijx h ASP 202 N 0.58 0.98 -0.32 -0.43 3.58 -0.93 -2.50 116.42 117.39 2ijx h ASP 202 Ca 0.00 -0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.54 2ijx h ASP 202 Cb 1.16 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 2ijx h ASP 202 CO 0.12 0.65 0.25 0.44 -2.88 0.00 0.00 179.24 177.81 2ijx h ASP 203 N 1.12 0.00 -0.38 2.28 3.32 -0.92 -2.53 116.42 119.31 2ijx h ASP 203 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2ijx h ASP 203 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2ijx h ASP 203 CO -0.14 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.71 2ijx n VAL 204 N -4.29 1.58 0.31 -1.35 0.24 -0.95 -4.44 118.33 109.42 2ijx n VAL 204 Ca 0.05 -1.33 0.16 0.00 -2.04 0.00 0.00 64.34 61.18 2ijx n VAL 204 Cb 0.41 0.18 0.70 0.00 -1.47 0.00 0.00 33.84 33.67 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 2.35 0.00 -2.31 1.34 3.38 -1.32 -1.38 115.31 117.36 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 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2ijx h LEU 205 CO 0.12 0.00 0.13 0.77 0.09 0.00 0.00 178.44 179.55 2ijx h SER 206 N 0.00 0.00 0.09 -0.43 4.64 -1.83 -1.37 113.55 114.65 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 -0.06 -0.07 -0.87 0.00 0.00 176.83 175.83 2ijx h LEU 207 N 0.00 0.00 -1.21 5.97 3.38 -1.42 -2.40 115.31 119.63 2ijx h LEU 207 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2ijx h LEU 207 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2ijx h LEU 207 CO -0.00 0.06 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 -1.43 -1.69 112.91 111.36 2ijx h THR 208 Ca -0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2ijx h THR 208 Cb 0.11 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 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 -1.59 -3.29 116.57 117.98 2ijx h LYS 209 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2ijx h LYS 209 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2ijx h LYS 209 CO 0.00 0.00 -0.66 -0.07 -0.57 0.00 0.00 179.45 178.15 2ijx h LEU 210 N 0.00 0.00 -7.32 2.94 3.38 -1.49 -3.46 115.31 109.36 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 0.48 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.05 2ijx h LEU 210 CO 0.00 0.66 -0.08 -0.94 0.09 0.00 0.00 178.44 178.17 2ijx s SER 211 N -6.74 -0.35 0.42 -0.43 1.04 -1.24 -4.51 113.70 101.88 2ijx s SER 211 Ca -0.00 0.21 0.20 0.00 0.48 0.00 0.00 55.95 56.83 2ijx s SER 211 Cb 0.12 0.42 0.92 0.00 0.10 0.00 0.00 66.02 67.58 2ijx s SER 211 CO 0.76 -0.59 1.86 0.44 0.98 0.00 0.00 173.24 176.69 2ijx h ASP 212 N 3.26 0.00 -4.11 7.02 3.32 -1.90 -3.43 116.42 120.58 2ijx h ASP 212 Ca -0.30 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.18 2ijx h ASP 212 Cb 1.18 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.52 2ijx h ASP 212 CO 0.41 0.29 -0.83 -0.31 -1.72 0.00 0.00 179.24 177.08 2ijx s TYR 213 N -3.93 1.85 -0.07 4.55 2.02 -1.26 -0.93 117.35 119.58 2ijx s TYR 213 Ca -0.01 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.32 2ijx s TYR 213 Cb 0.12 -1.01 -0.01 0.00 -0.40 0.00 0.00 41.96 40.67 2ijx s TYR 213 CO 0.66 0.23 -0.24 0.54 -1.57 0.00 0.00 175.55 175.17 2ijx s VAL 214 N -1.21 2.10 -0.27 0.71 0.11 -0.40 -4.76 120.40 116.68 2ijx s VAL 214 Ca 0.08 -1.04 -0.21 0.00 -2.93 0.00 0.00 61.98 57.88 2ijx s VAL 214 Cb -0.10 -1.77 -0.01 0.00 -1.53 0.00 0.00 36.38 32.97 2ijx s VAL 214 CO 0.05 0.57 0.67 -0.75 -3.33 0.00 0.00 175.10 172.31 2ijx s LYS 215 N -0.03 4.04 -0.04 1.54 2.20 -0.69 -1.33 119.74 125.42 2ijx s LYS 215 Ca -0.07 0.53 0.01 0.00 -0.36 0.00 0.00 55.97 56.08 2ijx s LYS 215 Cb -0.15 -3.68 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 2ijx s LYS 215 CO 0.05 -0.51 -0.04 0.96 -0.36 0.00 0.00 175.35 175.45 2ijx s ILE 216 N 2.64 3.89 0.00 5.43 -4.36 0.38 -0.14 121.20 129.04 2ijx s ILE 216 Ca 0.28 -0.53 0.01 0.00 -0.26 0.00 0.00 60.65 60.15 2ijx s ILE 216 Cb -0.15 -2.65 -0.00 0.00 1.25 0.00 0.00 42.46 40.90 2ijx s ILE 216 CO 0.10 0.51 -0.02 -0.44 0.24 0.00 0.00 174.94 175.32 2ijx s SER 217 N -1.11 0.28 0.26 4.36 0.01 0.30 -1.07 113.70 116.72 2ijx s SER 217 Ca 0.15 -0.09 -0.20 0.00 1.31 0.00 0.00 55.95 57.12 2ijx s SER 217 Cb -0.11 -0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.16 2ijx s SER 217 CO 0.05 -0.00 0.92 0.72 0.41 0.00 0.00 173.24 175.33 2ijx s PHE 218 N -0.18 0.05 0.05 2.43 -0.71 -0.56 -0.03 117.98 119.03 2ijx s PHE 218 Ca -0.01 -0.55 -0.27 0.00 -1.04 0.00 0.00 56.93 55.07 2ijx s PHE 218 Cb -0.02 0.75 0.10 0.00 -1.21 0.00 0.00 43.02 42.64 2ijx s PHE 218 CO -0.00 -1.17 1.18 0.20 -1.34 0.00 0.00 175.22 174.08 2ijx s GLY 219 N -3.19 -0.21 0.06 1.99 0.00 -1.26 -1.30 107.32 103.40 2ijx s GLY 219 Ca 0.18 0.24 -0.31 0.00 0.00 0.00 0.00 44.72 44.83 2ijx s GLY 219 CO 0.07 1.79 1.55 -1.31 0.00 0.00 0.00 173.10 175.21 2ijx s ASN 220 N -3.25 6.69 -2.05 1.64 -0.87 -1.26 -2.06 114.94 113.78 2ijx s ASN 220 Ca 0.19 2.38 0.00 0.00 -1.57 0.00 0.00 52.86 53.85 2ijx s ASN 220 Cb 0.01 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 2ijx s ASN 220 CO -0.00 -0.82 0.00 0.00 -2.57 0.00 0.00 177.10 173.71 2ijx n GLN 221 N 5.27 -1.54 -4.34 -0.60 1.13 -1.26 -4.99 117.38 111.06 2ijx n GLN 221 Ca 0.15 1.15 -0.27 0.00 -1.94 0.00 0.00 57.00 56.08 2ijx n GLN 221 Cb 0.41 -5.63 -0.10 0.00 0.11 0.00 0.00 30.24 25.03 2ijx n GLN 221 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2ijx s LYS 222 N -4.20 1.82 0.93 -1.09 1.02 -0.88 -4.88 119.74 112.48 2ijx s LYS 222 Ca 0.00 -1.34 -0.11 0.00 0.02 0.00 0.00 55.97 54.54 2ijx s LYS 222 Cb 0.00 -2.04 0.15 0.00 -0.52 0.00 0.00 37.83 35.42 2ijx s LYS 222 CO 0.00 0.43 1.10 -1.25 -0.92 0.00 0.00 175.35 174.71 2ijx s PRO 223 N -2.66 0.92 -0.21 -1.68 0.04 -1.26 -4.25 135.00 125.90 2ijx s PRO 223 Ca 0.22 1.20 -0.10 0.00 0.04 0.00 0.00 61.00 62.36 2ijx s PRO 223 Cb -0.09 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 2ijx s PRO 223 CO 0.12 -2.58 0.13 -1.17 0.04 0.00 0.00 177.00 173.54 2ijx s LEU 224 N -6.52 4.13 -0.12 -3.56 2.96 0.01 -4.25 118.68 111.32 2ijx s LEU 224 Ca 0.65 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.74 2ijx s LEU 224 Cb -0.21 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 2ijx s LEU 224 CO 0.59 0.14 -0.15 -1.58 -1.32 0.00 0.00 176.35 174.03 2ijx s GLN 225 N 0.58 3.31 -0.13 1.98 0.74 0.95 -0.77 119.66 126.31 2ijx s GLN 225 Ca 0.07 -0.72 -0.05 0.00 0.05 0.00 0.00 55.36 54.72 2ijx s GLN 225 Cb -0.12 -2.57 -0.04 0.00 1.10 0.00 0.00 33.01 31.38 2ijx s GLN 225 CO 0.00 0.22 0.05 -0.51 -0.55 0.00 0.00 175.29 174.51 2ijx s LEU 226 N 0.31 3.84 -0.06 3.68 1.43 -0.11 -0.54 118.68 127.23 2ijx s LEU 226 Ca -0.12 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 2ijx s LEU 226 Cb -0.16 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.15 2ijx s LEU 226 CO 0.06 0.30 -0.08 0.12 0.23 0.00 0.00 176.35 176.98 2ijx s PHE 227 N -0.42 1.12 -0.13 0.29 5.36 0.80 -0.94 117.98 124.06 2ijx s PHE 227 Ca 0.09 -0.39 0.02 0.00 -0.96 0.00 0.00 56.93 55.69 2ijx s PHE 227 Cb -0.12 -0.89 0.01 0.00 -0.34 0.00 0.00 43.02 41.68 2ijx s PHE 227 CO 0.02 -0.25 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.25 2ijx s PHE 228 N 0.86 2.58 -0.20 10.12 0.08 -0.00 -1.71 117.98 129.72 2ijx s PHE 228 Ca -0.12 -1.28 -0.15 0.00 0.12 0.00 0.00 56.93 55.50 2ijx s PHE 228 Cb -0.15 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 2ijx s PHE 228 CO 0.01 -0.59 0.35 -0.80 -0.10 0.00 0.00 175.22 174.09 2ijx s ASN 229 N 0.81 6.40 0.11 1.36 0.02 -1.26 -1.53 114.94 120.85 2ijx s ASN 229 Ca -0.08 0.47 0.03 0.00 -1.02 0.00 0.00 52.86 52.26 2ijx s ASN 229 Cb -0.16 -2.21 -0.04 0.00 0.02 0.00 0.00 41.25 38.87 2ijx s ASN 229 CO -0.01 -0.02 0.14 -0.04 0.02 0.00 0.00 177.10 177.19 2ijx s MET 230 N 1.09 3.06 0.21 -0.60 -1.94 -0.47 -4.59 119.30 116.06 2ijx s MET 230 Ca 0.17 -0.68 -0.32 0.00 -1.71 0.00 0.00 55.69 53.16 2ijx s MET 230 Cb -0.14 -2.80 -0.14 0.00 2.01 0.00 0.00 34.83 33.76 2ijx s MET 230 CO 0.07 0.55 1.28 -1.91 -0.01 0.00 0.00 175.02 174.99 2ijx n GLU 231 N 0.09 1.61 -0.32 2.03 0.00 -1.26 -1.64 120.64 121.14 2ijx n GLU 231 Ca -0.08 0.57 0.00 0.00 0.00 0.00 0.00 57.16 57.66 2ijx n GLU 231 Cb 0.53 -2.14 0.00 0.00 0.00 0.00 0.00 31.44 29.82 2ijx n GLU 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ijx n GLY 232 N 2.04 1.04 0.00 8.31 0.00 -1.26 -4.27 105.19 111.05 2ijx n GLY 232 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.55 3.71 -0.02 0.00 -0.65 -4.17 105.19 102.61 2ijx n GLY 233 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.39 2.17 -0.01 -0.02 0.00 -1.22 -4.65 107.32 102.20 2ijx s GLY 234 Ca 0.00 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.53 2ijx s GLY 234 CO 0.00 1.21 -0.03 0.54 0.00 0.00 0.00 173.10 174.82 2ijx s LYS 235 N -4.13 0.31 -0.08 2.90 1.02 -0.20 -1.36 119.74 118.20 2ijx s LYS 235 Ca 0.72 -0.11 0.03 0.00 0.02 0.00 0.00 55.97 56.63 2ijx s LYS 235 Cb -0.28 -0.32 0.01 0.00 -0.52 0.00 0.00 37.83 36.72 2ijx s LYS 235 CO 0.49 0.06 -0.16 0.08 -0.92 0.00 0.00 175.35 174.90 2ijx s VAL 236 N 0.04 1.40 0.00 3.17 1.01 -0.58 -1.36 120.40 124.08 2ijx s VAL 236 Ca 0.00 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.42 2ijx s VAL 236 Cb -0.03 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2ijx s VAL 236 CO -0.00 0.41 -0.22 -0.89 0.00 0.00 0.00 175.10 174.40 2ijx s THR 237 N 0.60 2.45 -0.09 3.92 2.01 -0.22 -0.82 115.64 123.48 2ijx s THR 237 Ca -0.15 -1.12 0.03 0.00 0.31 0.00 0.00 61.69 60.76 2ijx s THR 237 Cb -0.16 -1.94 0.01 0.00 0.01 0.00 0.00 72.50 70.41 2ijx s THR 237 CO 0.05 0.47 -0.19 -0.47 -0.69 0.00 0.00 174.62 173.79 2ijx s TYR 238 N -0.76 2.09 -0.09 4.92 5.04 -0.12 -1.14 117.35 127.29 2ijx s TYR 238 Ca 0.12 -0.84 0.03 0.00 -2.44 0.00 0.00 57.07 53.94 2ijx s TYR 238 Cb -0.10 -1.44 0.01 0.00 0.35 0.00 0.00 41.96 40.78 2ijx s TYR 238 CO 0.02 -0.37 -0.20 -1.17 -1.34 0.00 0.00 175.55 172.49 2ijx s LEU 239 N 0.50 1.93 -0.08 6.97 2.96 -0.06 -0.93 118.68 129.97 2ijx s LEU 239 Ca -0.17 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.28 2ijx s LEU 239 Cb -0.17 -1.22 0.02 0.00 0.50 0.00 0.00 46.19 45.32 2ijx s LEU 239 CO 0.06 0.10 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.87 2ijx s LEU 240 N 0.54 1.53 0.56 -0.68 2.96 0.05 -1.50 118.68 122.14 2ijx s LEU 240 Ca -0.15 -0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 53.24 2ijx s LEU 240 Cb -0.17 -0.83 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 2ijx s LEU 240 CO 0.06 -0.01 1.31 0.00 -1.32 0.00 0.00 176.35 176.39 2ijx n ALA 241 N 4.11 1.37 -1.79 5.97 0.00 -0.01 -0.81 120.51 129.35 2ijx n ALA 241 Ca -0.20 0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 2ijx n ALA 241 Cb 0.51 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 2ijx n ALA 241 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ijx s PRO 242 N -2.89 3.69 0.57 0.00 0.04 -1.26 -4.75 135.00 130.40 2ijx s PRO 242 Ca 0.73 1.48 -0.15 0.00 0.04 0.00 0.00 61.00 63.10 2ijx s PRO 242 Cb -0.42 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.94 2ijx s PRO 242 CO 0.48 -0.54 1.02 0.15 0.04 0.00 0.00 177.00 178.15 2ijx s LYS 243 N -3.14 3.62 0.00 4.56 1.02 -0.62 -5.02 119.74 120.16 2ijx s LYS 243 Ca 0.68 1.02 0.28 0.00 0.02 0.00 0.00 55.97 57.97 2ijx s LYS 243 Cb -0.20 -2.08 1.06 0.00 -0.52 0.00 0.00 37.83 36.09 2ijx s LYS 243 CO 0.24 -0.55 1.75 1.33 -0.92 0.00 0.00 175.35 177.20