#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 0.58 0.04 3.17 2.20 -0.37 -1.18 119.74 124.17 2ijx s LYS 2 Ca 0.00 1.16 0.05 0.00 -0.36 0.00 0.00 55.97 56.81 2ijx s LYS 2 Cb 0.00 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 2ijx s LYS 2 CO 0.00 -0.15 -0.14 0.14 -0.36 0.00 0.00 175.35 174.85 2ijx s VAL 3 N 2.04 1.06 -0.12 4.02 -7.23 -0.20 -0.28 120.40 119.69 2ijx s VAL 3 Ca -0.08 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.11 2ijx s VAL 3 Cb -0.07 -0.97 0.02 0.00 0.56 0.00 0.00 36.38 35.92 2ijx s VAL 3 CO -0.19 -0.02 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.75 2ijx s VAL 4 N -0.87 1.53 -0.05 1.32 1.01 -0.28 -1.16 120.40 121.92 2ijx s VAL 4 Ca 0.01 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.39 2ijx s VAL 4 Cb -0.08 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 2ijx s VAL 4 CO 0.01 0.45 -0.16 -0.47 0.00 0.00 0.00 175.10 174.93 2ijx s TYR 5 N 1.16 2.66 -1.28 5.22 5.04 0.11 -0.72 117.35 129.54 2ijx s TYR 5 Ca -0.03 -0.20 0.30 0.00 -2.44 0.00 0.00 57.07 54.70 2ijx s TYR 5 Cb -0.14 -1.62 1.42 0.00 0.35 0.00 0.00 41.96 41.98 2ijx s TYR 5 CO -0.05 0.15 2.01 -0.40 -1.34 0.00 0.00 175.55 175.93 2ijx n ASP 6 N 2.34 0.00 -3.48 4.32 5.68 -1.26 0.27 116.55 124.43 2ijx n ASP 6 Ca -0.17 0.08 -0.25 0.00 -0.50 0.00 0.00 54.79 53.95 2ijx n ASP 6 Cb 0.52 -0.36 -0.13 0.00 -1.14 0.00 0.00 41.12 40.01 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 -2.72 2.79 0.55 -1.12 -1.08 -1.24 -3.42 116.67 110.43 2ijx s ASP 7 Ca 0.23 -1.32 0.26 0.00 -0.52 0.00 0.00 52.55 51.20 2ijx s ASP 7 Cb 0.20 -0.07 1.44 0.00 -1.46 0.00 0.00 42.92 43.03 2ijx s ASP 7 CO 0.49 -0.39 2.01 1.62 0.52 0.00 0.00 175.17 179.42 2ijx h VAL 8 N 6.04 0.67 -0.16 1.11 3.04 0.13 -2.32 116.25 124.76 2ijx h VAL 8 Ca -0.12 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.56 2ijx h VAL 8 Cb 1.02 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 2ijx h VAL 8 CO 0.37 0.00 0.05 0.03 -1.01 0.00 0.00 177.57 177.00 2ijx h ARG 9 N 0.00 0.23 -0.04 4.17 3.08 -1.80 0.21 114.38 120.23 2ijx h ARG 9 Ca 0.20 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 2ijx h ARG 9 Cb 0.88 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 2ijx h ARG 9 CO -0.00 0.21 0.01 0.28 -1.07 0.00 0.00 179.97 179.40 2ijx h VAL 10 N 0.23 1.15 -0.76 2.04 2.07 -1.81 0.98 116.25 120.14 2ijx h VAL 10 Ca 0.06 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2ijx h VAL 10 Cb 0.08 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2ijx h VAL 10 CO -0.00 0.12 0.32 0.25 0.02 0.00 0.00 177.57 178.28 2ijx h LEU 11 N -0.11 1.03 -0.57 2.57 5.85 -1.56 -2.59 115.31 119.93 2ijx h LEU 11 Ca 0.01 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.66 2ijx h LEU 11 Cb 0.18 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2ijx h LEU 11 CO -0.00 0.90 0.26 0.50 -0.34 0.00 0.00 178.44 179.76 2ijx h LYS 12 N 1.10 0.47 -0.97 1.25 3.64 -0.59 0.62 116.57 122.10 2ijx h LYS 12 Ca 0.26 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 2ijx h LYS 12 Cb 0.18 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 2ijx h LYS 12 CO -0.03 0.31 0.63 -0.44 -2.27 0.00 0.00 179.45 177.66 2ijx h ASP 13 N 0.49 0.97 -0.03 4.20 3.32 -0.43 0.43 116.42 125.37 2ijx h ASP 13 Ca 0.27 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 2ijx h ASP 13 Cb 0.24 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2ijx h ASP 13 CO -0.22 0.60 -0.14 0.40 -1.72 0.00 0.00 179.24 178.16 2ijx h ILE 14 N 1.09 1.49 -0.20 0.35 2.04 -1.18 -3.21 117.51 117.89 2ijx h ILE 14 Ca 0.43 -1.65 -0.05 0.00 1.00 0.00 0.00 64.86 64.59 2ijx h ILE 14 Cb 0.25 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 2ijx h ILE 14 CO -0.18 0.45 -0.11 0.40 0.00 0.00 0.00 178.15 178.71 2ijx h ILE 15 N -0.45 1.19 -0.64 -0.67 1.08 -0.54 -2.07 117.51 115.39 2ijx h ILE 15 Ca -0.01 -0.81 0.05 0.00 -0.39 0.00 0.00 64.86 63.70 2ijx h ILE 15 Cb 0.80 1.15 -0.05 0.00 -3.07 0.00 0.00 36.82 35.66 2ijx h ILE 15 CO 0.03 0.26 0.37 1.56 -0.69 0.00 0.00 178.15 179.67 2ijx h GLN 16 N 0.30 0.67 -0.04 2.37 4.20 -0.21 0.18 115.11 122.59 2ijx h GLN 16 Ca 0.06 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2ijx h GLN 16 Cb 0.38 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2ijx h GLN 16 CO 0.02 0.45 0.02 0.00 -0.67 0.00 0.00 178.83 178.65 2ijx h ALA 17 N 1.32 0.05 -0.86 3.87 0.00 -1.46 -3.04 119.26 119.13 2ijx h ALA 17 Ca 0.28 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2ijx h ALA 17 Cb 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2ijx h ALA 17 CO -0.16 -0.45 0.57 -0.07 0.00 0.00 0.00 179.25 179.15 2ijx h LEU 18 N 0.03 0.97 -1.61 0.00 3.38 -0.97 -2.53 115.31 114.57 2ijx h LEU 18 Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2ijx h LEU 18 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2ijx h LEU 18 CO -0.00 0.69 -0.21 0.00 0.09 0.00 0.00 178.44 179.00 2ijx h ALA 19 N 1.47 1.40 0.00 1.53 0.00 -0.86 0.58 119.26 123.38 2ijx h ALA 19 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ijx h ALA 19 Cb -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2ijx h ALA 19 CO -0.08 0.27 0.00 0.54 0.00 0.00 0.00 179.25 179.98 2ijx n ARG 20 N -3.92 0.21 -0.08 0.00 5.12 -0.96 -4.38 116.66 112.64 2ijx n ARG 20 Ca -0.02 0.21 -0.10 0.00 -1.93 0.00 0.00 57.85 56.01 2ijx n ARG 20 Cb 0.30 -1.76 -0.10 0.00 -1.16 0.00 0.00 32.46 29.74 2ijx n ARG 20 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2ijx n LEU 21 N -2.13 1.65 -3.79 0.55 4.77 0.06 -5.04 117.00 113.07 2ijx n LEU 21 Ca 0.05 -0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2ijx n LEU 21 Cb 0.38 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 2ijx n LEU 21 CO 0.28 0.61 -0.03 0.54 -1.33 0.00 0.00 177.39 177.46 2ijx s VAL 22 N -2.37 0.06 0.13 4.08 0.11 -0.43 -3.40 120.40 118.59 2ijx s VAL 22 Ca -0.17 -0.51 -0.09 0.00 -2.93 0.00 0.00 61.98 58.27 2ijx s VAL 22 Cb 0.06 -0.56 -0.13 0.00 -1.53 0.00 0.00 36.38 34.22 2ijx s VAL 22 CO 0.51 -0.28 1.36 0.44 -3.33 0.00 0.00 175.10 173.80 2ijx h ASP 23 N 4.05 0.82 -5.02 3.54 3.32 -1.89 -3.41 116.42 117.83 2ijx h ASP 23 Ca -0.30 -0.52 -0.15 0.00 0.02 0.00 0.00 57.03 56.09 2ijx h ASP 23 Cb 1.18 -0.24 -0.20 0.00 0.22 0.00 0.00 39.33 40.29 2ijx h ASP 23 CO 0.40 1.30 -0.59 -1.61 -1.72 0.00 0.00 179.24 177.01 2ijx s GLU 24 N -3.78 0.44 0.25 3.56 2.02 -1.26 -0.69 118.70 119.24 2ijx s GLU 24 Ca -0.09 -0.60 -0.15 0.00 0.02 0.00 0.00 54.97 54.15 2ijx s GLU 24 Cb 0.09 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.50 2ijx s GLU 24 CO 0.88 -0.09 0.54 0.00 0.02 0.00 0.00 175.26 176.61 2ijx s ALA 25 N -1.79 -0.54 -0.08 5.21 0.00 -0.18 -4.92 121.76 119.46 2ijx s ALA 25 Ca -0.12 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.15 2ijx s ALA 25 Cb -0.06 1.00 0.02 0.00 0.00 0.00 0.00 23.12 24.07 2ijx s ALA 25 CO -0.01 -0.90 -0.08 0.08 0.00 0.00 0.00 175.76 174.85 2ijx s VAL 26 N -3.98 0.90 -0.25 0.00 1.01 -1.26 -0.74 120.40 116.08 2ijx s VAL 26 Ca 0.19 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 2ijx s VAL 26 Cb -0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2ijx s VAL 26 CO 0.08 0.33 0.44 -0.76 0.00 0.00 0.00 175.10 175.18 2ijx s LEU 27 N 1.25 4.07 -0.42 3.92 1.43 -0.24 -4.45 118.68 124.24 2ijx s LEU 27 Ca -0.04 0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 53.37 2ijx s LEU 27 Cb -0.14 -2.54 0.05 0.00 0.03 0.00 0.00 46.19 43.59 2ijx s LEU 27 CO -0.03 -0.20 0.28 -0.75 0.23 0.00 0.00 176.35 175.89 2ijx s LYS 28 N 1.96 2.82 -0.31 1.70 2.20 0.11 -0.68 119.74 127.54 2ijx s LYS 28 Ca 0.18 -1.25 -0.23 0.00 -0.36 0.00 0.00 55.97 54.31 2ijx s LYS 28 Cb -0.15 -3.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 2ijx s LYS 28 CO 0.09 -0.86 0.79 -0.06 -0.36 0.00 0.00 175.35 174.95 2ijx s PHE 29 N 1.56 3.19 0.48 4.03 0.08 0.12 -0.67 117.98 126.78 2ijx s PHE 29 Ca 0.03 0.79 0.04 0.00 0.12 0.00 0.00 56.93 57.92 2ijx s PHE 29 Cb -0.22 -3.24 -0.02 0.00 -0.57 0.00 0.00 43.02 38.98 2ijx s PHE 29 CO 0.06 -0.58 0.12 0.15 -0.10 0.00 0.00 175.22 174.86 2ijx s LYS 30 N 2.97 2.17 0.23 0.44 1.02 0.24 -1.75 119.74 125.06 2ijx s LYS 30 Ca 0.32 -2.17 -0.07 0.00 0.02 0.00 0.00 55.97 54.08 2ijx s LYS 30 Cb -0.14 -1.75 0.32 0.00 -0.52 0.00 0.00 37.83 35.74 2ijx s LYS 30 CO 0.13 -0.31 1.81 1.96 -0.92 0.00 0.00 175.35 178.02 2ijx h GLN 31 N 1.32 0.73 0.00 1.68 7.50 -1.88 -3.20 115.11 121.27 2ijx h GLN 31 Ca -0.42 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 58.68 2ijx h GLN 31 Cb 1.29 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.65 2ijx h GLN 31 CO 0.71 0.49 -1.36 -0.25 -1.50 0.00 0.00 178.83 176.92 2ijx n ASP 32 N -4.75 0.70 -3.65 1.46 8.00 -1.26 -4.88 116.55 112.16 2ijx n ASP 32 Ca 0.11 -0.54 -0.05 0.00 0.71 0.00 0.00 54.79 55.03 2ijx n ASP 32 Cb 0.22 1.40 -0.02 0.00 -0.02 0.00 0.00 41.12 42.71 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 -3.48 -0.23 -0.17 -2.24 1.04 -1.21 -0.99 113.70 106.42 2ijx s SER 33 Ca 0.01 -0.23 -0.06 0.00 0.48 0.00 0.00 55.95 56.15 2ijx s SER 33 Cb 0.14 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2ijx s SER 33 CO 0.81 -0.72 0.04 -0.69 0.98 0.00 0.00 173.24 173.66 2ijx s VAL 34 N -3.11 4.56 0.05 5.02 1.01 -0.11 -0.59 120.40 127.22 2ijx s VAL 34 Ca 0.10 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.05 2ijx s VAL 34 Cb -0.01 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2ijx s VAL 34 CO -0.02 0.48 -0.25 -1.61 0.00 0.00 0.00 175.10 173.69 2ijx s GLU 35 N 0.28 1.83 -0.07 2.72 2.02 0.16 -0.55 118.70 125.09 2ijx s GLU 35 Ca 0.02 -1.10 -0.06 0.00 0.02 0.00 0.00 54.97 53.85 2ijx s GLU 35 Cb -0.13 -2.01 0.02 0.00 0.10 0.00 0.00 34.13 32.12 2ijx s GLU 35 CO 0.01 0.51 0.18 -1.17 0.02 0.00 0.00 175.26 174.82 2ijx s LEU 36 N -1.31 1.16 -0.05 1.80 0.20 -0.52 -0.71 118.68 119.24 2ijx s LEU 36 Ca 0.12 0.37 0.01 0.00 0.69 0.00 0.00 54.13 55.33 2ijx s LEU 36 Cb -0.10 0.61 0.02 0.00 -0.43 0.00 0.00 46.19 46.28 2ijx s LEU 36 CO 0.03 -0.08 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.25 2ijx s VAL 37 N 0.33 0.70 -0.02 1.68 1.01 -1.26 -0.28 120.40 122.56 2ijx s VAL 37 Ca -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2ijx s VAL 37 Cb -0.03 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.66 2ijx s VAL 37 CO -0.01 0.26 0.04 0.00 0.00 0.00 0.00 175.10 175.39 2ijx s ALA 38 N 0.90 -0.03 -0.04 5.51 0.00 -0.35 -4.79 121.76 122.97 2ijx s ALA 38 Ca -0.11 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 2ijx s ALA 38 Cb -0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 2ijx s ALA 38 CO 0.01 -0.06 0.08 -0.51 0.00 0.00 0.00 175.76 175.28 2ijx s LEU 39 N 0.48 3.96 0.96 0.00 1.02 -1.26 -0.82 118.68 123.02 2ijx s LEU 39 Ca -0.04 0.22 -0.12 0.00 0.02 0.00 0.00 54.13 54.22 2ijx s LEU 39 Cb -0.06 -2.17 0.17 0.00 0.02 0.00 0.00 46.19 44.15 2ijx s LEU 39 CO -0.02 0.32 1.09 1.51 0.02 0.00 0.00 176.35 179.27 2ijx s ASP 40 N -1.44 2.88 0.32 2.29 -4.77 -0.66 -4.79 116.67 110.51 2ijx s ASP 40 Ca 0.20 1.50 0.03 0.00 -3.30 0.00 0.00 52.55 50.97 2ijx s ASP 40 Cb -0.12 -2.17 0.62 0.00 -1.09 0.00 0.00 42.92 40.16 2ijx s ASP 40 CO 0.10 -3.01 1.91 -0.09 0.70 0.00 0.00 175.17 174.77 2ijx h ARG 41 N -1.81 0.89 -0.01 2.11 2.43 -1.92 0.63 114.38 116.71 2ijx h ARG 41 Ca -0.52 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 2ijx h ARG 41 Cb 1.30 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2ijx h ARG 41 CO 0.53 0.59 -0.01 0.00 -1.51 0.00 0.00 179.97 179.58 2ijx n ALA 42 N -2.41 2.64 -2.74 2.80 0.00 -1.26 -4.90 120.51 114.65 2ijx n ALA 42 Ca 0.14 -0.32 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 2ijx n ALA 42 Cb 0.26 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.46 -1.52 0.12 0.00 8.25 0.21 -4.87 115.22 116.95 2ijx n HIS 43 Ca 0.21 0.27 0.07 0.00 -0.26 0.00 0.00 57.72 58.01 2ijx n HIS 43 Cb 0.23 -4.12 0.02 0.00 1.12 0.00 0.00 29.99 27.24 2ijx n HIS 43 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2ijx h ILE 44 N -0.70 0.32 -3.68 1.59 2.04 -1.91 -3.48 117.51 111.69 2ijx h ILE 44 Ca -0.50 -1.52 -0.07 0.00 1.00 0.00 0.00 64.86 63.77 2ijx h ILE 44 Cb 1.36 1.95 -0.12 0.00 -0.74 0.00 0.00 36.82 39.27 2ijx h ILE 44 CO 0.56 0.18 -0.20 -0.94 0.00 0.00 0.00 178.15 177.76 2ijx s SER 45 N -5.91 -0.06 -0.08 1.72 1.04 -1.26 -1.07 113.70 108.08 2ijx s SER 45 Ca 0.02 -0.73 -0.04 0.00 0.48 0.00 0.00 55.95 55.67 2ijx s SER 45 Cb 0.08 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.73 2ijx s SER 45 CO 0.76 -0.95 0.19 -0.22 0.98 0.00 0.00 173.24 174.00 2ijx s LEU 46 N -2.93 0.51 -0.10 2.42 0.20 -0.17 -1.65 118.68 116.96 2ijx s LEU 46 Ca 0.14 0.40 -0.01 0.00 0.69 0.00 0.00 54.13 55.36 2ijx s LEU 46 Cb 0.02 0.52 -0.03 0.00 -0.43 0.00 0.00 46.19 46.27 2ijx s LEU 46 CO -0.01 -0.16 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.19 2ijx s ILE 47 N 1.32 3.68 -0.04 6.68 1.01 0.00 -0.72 121.20 133.13 2ijx s ILE 47 Ca -0.08 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.13 2ijx s ILE 47 Cb -0.11 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.82 2ijx s ILE 47 CO -0.07 0.56 -0.11 -0.55 0.00 0.00 0.00 174.94 174.76 2ijx s SER 48 N -0.31 1.56 -0.03 3.58 0.15 0.13 -1.21 113.70 117.56 2ijx s SER 48 Ca 0.04 -0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.47 2ijx s SER 48 Cb -0.13 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 2ijx s SER 48 CO 0.02 0.07 -0.11 -0.69 1.20 0.00 0.00 173.24 173.73 2ijx s VAL 49 N 0.34 0.95 -0.09 4.45 1.01 0.62 -0.64 120.40 127.04 2ijx s VAL 49 Ca -0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2ijx s VAL 49 Cb -0.12 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.45 2ijx s VAL 49 CO 0.02 0.29 -0.01 0.21 0.00 0.00 0.00 175.10 175.61 2ijx s ASN 50 N 0.22 1.83 -0.39 3.32 2.47 0.67 -1.44 114.94 121.63 2ijx s ASN 50 Ca -0.05 -0.20 0.01 0.00 0.42 0.00 0.00 52.86 53.04 2ijx s ASN 50 Cb -0.10 -0.52 0.11 0.00 -1.45 0.00 0.00 41.25 39.29 2ijx s ASN 50 CO 0.01 -0.20 0.13 -0.76 -3.72 0.00 0.00 177.10 172.57 2ijx s LEU 51 N 1.92 4.93 0.54 3.21 1.43 0.29 -0.73 118.68 130.27 2ijx s LEU 51 Ca 0.04 -2.21 -0.22 0.00 -1.03 0.00 0.00 54.13 50.72 2ijx s LEU 51 Cb -0.13 -1.71 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 2ijx s LEU 51 CO -0.06 -0.43 1.24 -2.65 0.23 0.00 0.00 176.35 174.69 2ijx n PRO 52 N 4.26 1.52 -0.01 1.29 -0.02 -1.26 -0.93 135.00 139.84 2ijx n PRO 52 Ca 0.02 0.56 0.22 0.00 -2.02 0.00 0.00 63.50 62.28 2ijx n PRO 52 Cb 0.41 -2.43 0.72 0.00 -0.02 0.00 0.00 33.50 32.17 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 1.30 0.00 0.00 -0.52 0.11 -1.40 -0.96 114.38 112.91 2ijx h ARG 53 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2ijx h ARG 53 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2ijx h ARG 53 CO 0.56 0.00 0.00 1.05 0.10 0.00 0.00 179.97 181.68 2ijx h GLU 54 N 0.00 0.00 0.00 0.08 9.09 -1.85 -2.11 114.58 119.79 2ijx h GLU 54 Ca 0.27 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.67 2ijx h GLU 54 Cb 1.17 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.27 2ijx h GLU 54 CO -0.00 0.00 -0.07 0.52 0.05 0.00 0.00 179.01 179.50 2ijx h MET 55 N 0.00 0.00 -5.79 1.06 2.86 -1.35 -3.46 114.93 108.25 2ijx h MET 55 Ca 0.00 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 2ijx h MET 55 Cb 0.20 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 2ijx h MET 55 CO 0.00 0.07 -0.39 -0.06 1.06 0.00 0.00 176.91 177.59 2ijx s PHE 56 N -3.59 3.63 0.20 -0.22 0.40 -0.79 -4.77 117.98 112.84 2ijx s PHE 56 Ca 0.02 0.66 -0.08 0.00 -0.60 0.00 0.00 56.93 56.93 2ijx s PHE 56 Cb 0.09 -2.04 0.13 0.00 0.51 0.00 0.00 43.02 41.70 2ijx s PHE 56 CO 0.59 0.69 1.70 -0.22 0.70 0.00 0.00 175.22 178.68 2ijx h LYS 57 N 4.70 1.10 -3.86 0.44 3.64 -1.23 -3.44 116.57 117.92 2ijx h LYS 57 Ca -0.53 -0.29 -0.24 0.00 -1.27 0.00 0.00 60.65 58.32 2ijx h LYS 57 Cb 1.22 -0.13 -0.27 0.00 -0.41 0.00 0.00 32.23 32.64 2ijx h LYS 57 CO 0.61 1.00 -0.72 -1.21 -2.27 0.00 0.00 179.45 176.85 2ijx s GLU 58 N -5.20 0.10 -0.27 1.90 2.02 -1.17 -4.96 118.70 111.13 2ijx s GLU 58 Ca -0.12 -0.10 -0.01 0.00 0.02 0.00 0.00 54.97 54.76 2ijx s GLU 58 Cb 0.14 -0.06 0.14 0.00 0.10 0.00 0.00 34.13 34.46 2ijx s GLU 58 CO 0.85 0.01 0.35 -0.47 0.02 0.00 0.00 175.26 176.02 2ijx s TYR 59 N -0.19 -0.75 -0.31 1.61 5.04 -1.26 -1.12 117.35 120.37 2ijx s TYR 59 Ca -0.02 0.36 0.01 0.00 -2.44 0.00 0.00 57.07 54.99 2ijx s TYR 59 Cb -0.01 -0.19 0.09 0.00 0.35 0.00 0.00 41.96 42.20 2ijx s TYR 59 CO -0.00 -0.85 0.06 0.34 -1.34 0.00 0.00 175.55 173.76 2ijx s ASP 60 N 2.48 4.28 -0.08 4.32 -1.08 0.61 -5.02 116.67 122.19 2ijx s ASP 60 Ca 0.10 -1.77 0.03 0.00 -0.52 0.00 0.00 52.55 50.39 2ijx s ASP 60 Cb -0.14 -1.20 0.01 0.00 -1.46 0.00 0.00 42.92 40.13 2ijx s ASP 60 CO -0.24 -0.38 -0.15 -0.69 0.52 0.00 0.00 175.17 174.23 2ijx s VAL 61 N 1.32 1.35 0.00 1.11 1.01 -1.26 -1.24 120.40 122.69 2ijx s VAL 61 Ca 0.08 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2ijx s VAL 61 Cb -0.18 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2ijx s VAL 61 CO -0.16 0.40 0.00 0.59 0.00 0.00 0.00 175.10 175.93 2ijx n ASN 62 N 3.80 0.00 -4.77 3.32 4.13 -1.26 -4.84 115.26 115.64 2ijx n ASN 62 Ca -0.22 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.66 2ijx n ASN 62 Cb 0.52 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.75 2ijx n ASN 62 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2ijx s ASP 63 N -0.51 6.27 0.21 6.41 1.01 -1.26 -4.83 116.67 123.98 2ijx s ASP 63 Ca 0.00 2.47 -0.32 0.00 0.71 0.00 0.00 52.55 55.42 2ijx s ASP 63 Cb 0.00 -2.62 -0.15 0.00 1.01 0.00 0.00 42.92 41.16 2ijx s ASP 63 CO 0.00 -0.86 1.23 1.21 0.21 0.00 0.00 175.17 176.96 2ijx n GLU 64 N -0.12 1.47 -4.36 8.23 2.13 -1.26 -4.96 120.64 121.78 2ijx n GLU 64 Ca 0.05 0.52 -0.28 0.00 0.66 0.00 0.00 57.16 58.12 2ijx n GLU 64 Cb 0.46 -2.06 -0.17 0.00 0.27 0.00 0.00 31.44 29.94 2ijx n GLU 64 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2ijx s PHE 65 N -0.24 1.89 -0.33 4.31 2.19 -0.72 -4.97 117.98 120.11 2ijx s PHE 65 Ca 0.70 -0.90 -0.13 0.00 0.33 0.00 0.00 56.93 56.93 2ijx s PHE 65 Cb -0.77 -1.39 -0.02 0.00 -1.31 0.00 0.00 43.02 39.53 2ijx s PHE 65 CO 0.52 -0.48 0.24 0.15 1.83 0.00 0.00 175.22 177.48 2ijx s LYS 66 N 1.09 3.55 -0.50 10.12 1.02 -1.26 -0.70 119.74 133.06 2ijx s LYS 66 Ca -0.05 -0.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.18 2ijx s LYS 66 Cb -0.14 -3.79 0.09 0.00 -0.52 0.00 0.00 37.83 33.46 2ijx s LYS 66 CO -0.03 -0.42 0.48 0.12 -0.92 0.00 0.00 175.35 174.59 2ijx s PHE 67 N 1.74 3.20 0.02 3.18 5.36 0.14 -4.96 117.98 126.66 2ijx s PHE 67 Ca 0.06 -0.96 -0.16 0.00 -0.96 0.00 0.00 56.93 54.92 2ijx s PHE 67 Cb -0.17 -3.44 -0.06 0.00 -0.34 0.00 0.00 43.02 39.01 2ijx s PHE 67 CO 0.11 -0.92 0.45 0.20 -1.46 0.00 0.00 175.22 173.59 2ijx s GLY 68 N 2.93 2.53 0.03 13.12 0.00 -1.23 -1.08 107.32 123.62 2ijx s GLY 68 Ca 0.06 -0.15 -0.17 0.00 0.00 0.00 0.00 44.72 44.46 2ijx s GLY 68 CO 0.07 0.23 0.37 -0.11 0.00 0.00 0.00 173.10 173.66 2ijx s PHE 69 N -1.06 -0.21 -0.13 1.90 -0.12 0.08 -1.88 117.98 116.55 2ijx s PHE 69 Ca 0.25 0.17 -0.29 0.00 -0.05 0.00 0.00 56.93 57.01 2ijx s PHE 69 Cb -0.17 0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.37 2ijx s PHE 69 CO 0.15 -0.53 1.00 1.21 -0.05 0.00 0.00 175.22 177.00 2ijx s ASN 70 N -1.91 7.19 0.22 1.98 3.84 -1.26 -1.01 114.94 123.98 2ijx s ASN 70 Ca -0.06 1.47 -0.03 0.00 0.21 0.00 0.00 52.86 54.45 2ijx s ASN 70 Cb -0.01 -2.54 0.20 0.00 -0.55 0.00 0.00 41.25 38.34 2ijx s ASN 70 CO -0.01 -0.48 1.61 0.71 -2.79 0.00 0.00 177.10 176.13 2ijx h THR 71 N 5.17 1.28 -0.44 -5.21 1.35 -1.16 -1.72 112.91 112.19 2ijx h THR 71 Ca -0.29 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 2ijx h THR 71 Cb 1.13 1.37 -0.02 0.00 -1.73 0.00 0.00 68.15 68.90 2ijx h THR 71 CO 0.88 0.47 0.28 -0.61 -0.25 0.00 0.00 175.52 176.28 2ijx h GLN 72 N 0.58 0.58 -0.22 4.72 4.15 -1.87 -0.74 115.11 122.31 2ijx h GLN 72 Ca 0.07 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 2ijx h GLN 72 Cb 0.82 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 2ijx h GLN 72 CO 0.07 0.40 -0.09 -0.92 -1.93 0.00 0.00 178.83 176.36 2ijx h TYR 73 N 0.59 0.52 -0.59 3.99 3.20 -1.87 0.33 116.97 123.14 2ijx h TYR 73 Ca 0.16 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2ijx h TYR 73 Cb -0.04 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 2ijx h TYR 73 CO -0.04 0.72 0.28 1.25 -1.64 0.00 0.00 178.16 178.72 2ijx h LEU 74 N 0.17 0.74 -1.12 2.82 5.85 -1.24 -1.20 115.31 121.33 2ijx h LEU 74 Ca 0.05 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2ijx h LEU 74 Cb 0.57 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2ijx h LEU 74 CO 0.03 0.64 0.30 0.24 -0.34 0.00 0.00 178.44 179.30 2ijx h MET 75 N 0.83 0.91 -0.92 1.25 2.86 -0.82 -0.04 114.93 118.99 2ijx h MET 75 Ca 0.20 -0.12 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 2ijx h MET 75 Cb 0.09 -0.17 -0.07 0.00 0.06 0.00 0.00 31.60 31.52 2ijx h MET 75 CO -0.03 0.71 0.60 -0.22 1.06 0.00 0.00 176.91 179.03 2ijx h LYS 76 N 0.91 0.95 0.09 1.72 3.64 0.25 -0.51 116.57 123.61 2ijx h LYS 76 Ca 0.22 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2ijx h LYS 76 Cb 0.11 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2ijx h LYS 76 CO -0.03 0.63 -0.04 0.82 -2.27 0.00 0.00 179.45 178.56 2ijx h ILE 77 N 0.98 1.10 0.00 2.00 2.04 -1.07 -3.32 117.51 119.24 2ijx h ILE 77 Ca 0.42 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.90 2ijx h ILE 77 Cb 0.33 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2ijx h ILE 77 CO -0.18 0.30 0.00 -0.07 0.00 0.00 0.00 178.15 178.21 2ijx h LEU 78 N -0.83 0.00 -1.13 1.44 3.38 -0.85 -2.34 115.31 114.98 2ijx h LEU 78 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ijx h LEU 78 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2ijx h LEU 78 CO 0.02 0.00 0.00 0.07 0.09 0.00 0.00 178.44 178.62 2ijx h LYS 79 N 0.00 0.00 0.00 1.13 2.10 -1.18 -2.18 116.57 116.43 2ijx h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ijx h LYS 79 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 2ijx h LYS 79 CO 0.00 0.00 0.00 -0.39 -2.00 0.00 0.00 179.45 177.06 2ijx h VAL 80 N 0.00 0.00 -3.60 0.07 -1.51 -1.58 -3.42 116.25 106.22 2ijx h VAL 80 Ca 0.00 -0.60 -0.64 0.00 -1.23 0.00 0.00 66.70 64.24 2ijx h VAL 80 Cb 0.35 1.54 -0.14 0.00 -2.13 0.00 0.00 31.29 30.91 2ijx h VAL 80 CO 0.00 0.00 0.26 0.00 -1.23 0.00 0.00 177.57 176.60 2ijx s ALA 81 N -3.37 3.34 -0.34 5.19 0.00 -0.82 -4.89 121.76 120.86 2ijx s ALA 81 Ca 0.05 -1.03 0.14 0.00 0.00 0.00 0.00 51.96 51.12 2ijx s ALA 81 Cb 0.08 -3.37 -0.18 0.00 0.00 0.00 0.00 23.12 19.65 2ijx s ALA 81 CO 0.56 -1.79 0.45 1.63 0.00 0.00 0.00 175.76 176.62 2ijx n LYS 82 N 6.47 1.46 -4.61 0.00 4.76 -1.26 -4.94 118.16 120.04 2ijx n LYS 82 Ca 0.01 -0.06 -0.28 0.00 -2.87 0.00 0.00 58.31 55.10 2ijx n LYS 82 Cb 0.48 -1.24 -0.11 0.00 -1.84 0.00 0.00 35.03 32.32 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 -2.64 1.98 -0.38 1.97 0.52 -1.26 -5.04 118.95 114.10 2ijx s ARG 83 Ca 0.00 -2.11 -0.28 0.00 -0.52 0.00 0.00 55.73 52.82 2ijx s ARG 83 Cb 0.10 -1.65 -0.03 0.00 0.52 0.00 0.00 34.95 33.89 2ijx s ARG 83 CO 0.58 -0.06 1.97 0.21 0.02 0.00 0.00 175.30 178.02 2ijx s LYS 84 N -3.72 3.01 -0.02 3.54 2.20 -1.26 -4.52 119.74 118.97 2ijx s LYS 84 Ca 0.34 1.40 -0.06 0.00 -0.36 0.00 0.00 55.97 57.29 2ijx s LYS 84 Cb 0.10 -4.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.11 2ijx s LYS 84 CO 0.18 -2.24 0.14 -1.21 -0.36 0.00 0.00 175.35 171.85 2ijx s GLU 85 N 6.37 0.34 0.56 4.03 2.02 -1.26 -4.98 118.70 125.78 2ijx s GLU 85 Ca 0.84 -0.14 -0.16 0.00 0.02 0.00 0.00 54.97 55.53 2ijx s GLU 85 Cb -0.22 0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.10 2ijx s GLU 85 CO 0.31 -0.07 1.04 0.00 0.02 0.00 0.00 175.26 176.55 2ijx s ALA 86 N -0.74 2.84 -0.04 5.21 0.00 -1.22 0.16 121.76 127.97 2ijx s ALA 86 Ca -0.08 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.28 2ijx s ALA 86 Cb -0.05 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 2ijx s ALA 86 CO 0.01 -0.60 -0.18 -1.50 0.00 0.00 0.00 175.76 173.49 2ijx s ILE 87 N -2.45 1.46 -0.12 0.00 2.07 0.14 -2.13 121.20 120.17 2ijx s ILE 87 Ca 0.63 -0.74 -0.01 0.00 -1.41 0.00 0.00 60.65 59.12 2ijx s ILE 87 Cb -0.14 -1.25 -0.02 0.00 0.13 0.00 0.00 42.46 41.18 2ijx s ILE 87 CO 0.33 0.42 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.99 2ijx s GLU 88 N -0.06 3.27 -0.13 3.50 2.12 0.03 0.08 118.70 127.52 2ijx s GLU 88 Ca -0.02 -0.62 0.02 0.00 0.36 0.00 0.00 54.97 54.71 2ijx s GLU 88 Cb -0.11 -2.67 0.01 0.00 0.26 0.00 0.00 34.13 31.62 2ijx s GLU 88 CO 0.02 0.33 -0.19 0.42 -0.54 0.00 0.00 175.26 175.30 2ijx s ILE 89 N 0.06 1.83 0.08 -3.70 1.01 -0.31 -1.26 121.20 118.91 2ijx s ILE 89 Ca -0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 2ijx s ILE 89 Cb -0.14 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 2ijx s ILE 89 CO 0.04 0.51 0.01 0.00 0.00 0.00 0.00 174.94 175.49 2ijx s ALA 90 N 0.94 0.56 -0.24 9.38 0.00 -0.21 -1.04 121.76 131.17 2ijx s ALA 90 Ca -0.05 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 2ijx s ALA 90 Cb -0.15 0.45 0.07 0.00 0.00 0.00 0.00 23.12 23.50 2ijx s ALA 90 CO -0.03 -0.41 0.59 0.45 0.00 0.00 0.00 175.76 176.35 2ijx s SER 91 N -2.95 -0.79 0.00 0.00 0.15 -0.33 -0.69 113.70 109.10 2ijx s SER 91 Ca 0.12 1.29 0.08 0.00 0.70 0.00 0.00 55.95 58.14 2ijx s SER 91 Cb 0.08 1.19 0.03 0.00 -1.71 0.00 0.00 66.02 65.60 2ijx s SER 91 CO -0.07 -0.22 0.63 -0.62 1.20 0.00 0.00 173.24 174.16 2ijx n GLU 92 N 4.34 1.37 -3.84 5.44 4.71 -1.26 -0.68 120.64 130.71 2ijx n GLU 92 Ca -0.21 -0.71 -0.13 0.00 -0.01 0.00 0.00 57.16 56.10 2ijx n GLU 92 Cb 0.57 -1.07 -0.14 0.00 -1.01 0.00 0.00 31.44 29.79 2ijx n GLU 92 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2ijx s SER 93 N -0.95 -0.03 0.54 1.62 0.15 -1.26 -5.02 113.70 108.74 2ijx s SER 93 Ca 0.08 0.09 0.26 0.00 0.70 0.00 0.00 55.95 57.07 2ijx s SER 93 Cb 0.06 0.06 1.41 0.00 -1.71 0.00 0.00 66.02 65.85 2ijx s SER 93 CO 0.16 -0.04 2.00 -0.65 1.20 0.00 0.00 173.24 175.91 2ijx h PRO 94 N 6.33 0.00 -0.01 5.44 0.11 -2.01 -2.34 132.00 139.52 2ijx h PRO 94 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2ijx h PRO 94 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ijx h PRO 94 CO 0.48 0.00 -0.12 -0.40 -0.21 0.00 0.00 178.00 177.75 2ijx n ASP 95 N -4.32 0.74 -3.97 -2.05 5.68 -1.26 -4.69 116.55 106.67 2ijx n ASP 95 Ca 0.09 -0.83 -0.15 0.00 -0.50 0.00 0.00 54.79 53.40 2ijx n ASP 95 Cb 0.59 -0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.43 2ijx n ASP 95 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2ijx s SER 96 N -2.37 0.63 -0.03 -1.12 0.01 -0.88 -0.37 113.70 109.56 2ijx s SER 96 Ca 0.30 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.43 2ijx s SER 96 Cb 0.20 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2ijx s SER 96 CO 0.46 0.02 -0.10 -0.69 0.41 0.00 0.00 173.24 173.33 2ijx s VAL 97 N -0.32 0.89 -0.17 3.43 1.01 -0.55 -4.41 120.40 120.28 2ijx s VAL 97 Ca -0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 2ijx s VAL 97 Cb -0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2ijx s VAL 97 CO -0.00 0.27 0.02 -0.63 0.00 0.00 0.00 175.10 174.76 2ijx s ILE 98 N 0.19 4.42 -0.10 2.22 -1.09 0.14 -0.41 121.20 126.57 2ijx s ILE 98 Ca -0.04 -0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.25 2ijx s ILE 98 Cb -0.09 -2.97 0.01 0.00 -1.58 0.00 0.00 42.46 37.83 2ijx s ILE 98 CO 0.01 0.48 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.37 2ijx s ILE 99 N 0.29 1.77 -0.14 2.92 1.01 -0.05 -1.04 121.20 125.96 2ijx s ILE 99 Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2ijx s ILE 99 Cb -0.13 -1.56 0.02 0.00 0.01 0.00 0.00 42.46 40.81 2ijx s ILE 99 CO 0.01 0.49 -0.12 0.21 0.00 0.00 0.00 174.94 175.54 2ijx s ASN 100 N 0.58 2.55 -0.31 3.58 3.04 -0.39 -0.77 114.94 123.22 2ijx s ASN 100 Ca -0.14 -0.44 -0.10 0.00 0.04 0.00 0.00 52.86 52.21 2ijx s ASN 100 Cb -0.17 -1.08 -0.01 0.00 -1.54 0.00 0.00 41.25 38.45 2ijx s ASN 100 CO 0.05 -0.08 0.16 -0.63 -3.04 0.00 0.00 177.10 173.56 2ijx s ILE 101 N 1.55 4.73 -0.87 -5.21 -1.09 -0.15 -0.79 121.20 119.37 2ijx s ILE 101 Ca 0.05 -0.33 -0.05 0.00 -2.23 0.00 0.00 60.65 58.09 2ijx s ILE 101 Cb -0.13 -3.39 0.22 0.00 -1.58 0.00 0.00 42.46 37.59 2ijx s ILE 101 CO -0.10 0.09 0.77 -0.63 -1.23 0.00 0.00 174.94 173.84 2ijx s ILE 102 N 1.64 4.70 0.00 2.92 1.01 -0.91 -1.27 121.20 129.29 2ijx s ILE 102 Ca 0.05 -3.44 0.00 0.00 0.00 0.00 0.00 60.65 57.27 2ijx s ILE 102 Cb -0.17 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2ijx s ILE 102 CO 0.07 -1.06 0.00 0.61 0.00 0.00 0.00 174.94 174.56 2ijx n GLY 103 N 2.83 4.14 3.71 6.18 0.00 -1.26 -4.03 105.19 116.77 2ijx n GLY 103 Ca 0.18 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 2ijx n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ijx s SER 104 N 0.36 6.75 0.03 1.61 0.01 -1.26 -4.29 113.70 116.91 2ijx s SER 104 Ca 0.00 2.40 0.00 0.00 1.31 0.00 0.00 55.95 59.66 2ijx s SER 104 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2ijx s SER 104 CO 0.00 -0.72 0.00 0.41 0.41 0.00 0.00 173.24 173.34 2ijx n THR 105 N 4.03 -2.06 -2.48 1.44 -1.04 -1.26 -4.90 114.28 108.01 2ijx n THR 105 Ca 0.12 0.52 -0.43 0.00 -2.04 0.00 0.00 64.05 62.23 2ijx n THR 105 Cb 0.41 -1.34 -0.02 0.00 -1.82 0.00 0.00 70.33 67.56 2ijx n THR 105 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2ijx s ASN 106 N -0.08 7.02 -0.13 8.00 3.04 -1.26 -4.72 114.94 126.80 2ijx s ASN 106 Ca 0.00 1.69 0.02 0.00 0.04 0.00 0.00 52.86 54.61 2ijx s ASN 106 Cb 0.00 -2.55 0.01 0.00 -1.54 0.00 0.00 41.25 37.17 2ijx s ASN 106 CO 0.00 -0.67 -0.21 -0.13 -3.04 0.00 0.00 177.10 173.05 2ijx s ARG 107 N 2.93 3.06 0.03 0.43 0.52 -0.40 -4.99 118.95 120.54 2ijx s ARG 107 Ca 0.53 -0.84 0.07 0.00 -0.52 0.00 0.00 55.73 54.97 2ijx s ARG 107 Cb -0.22 -2.44 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 2ijx s ARG 107 CO 0.16 0.04 -0.19 -2.00 0.02 0.00 0.00 175.30 173.33 2ijx s GLU 108 N 0.70 2.09 -0.07 3.54 2.12 -1.26 -0.98 118.70 124.83 2ijx s GLU 108 Ca -0.10 -0.96 0.02 0.00 0.36 0.00 0.00 54.97 54.29 2ijx s GLU 108 Cb -0.16 -2.18 0.02 0.00 0.26 0.00 0.00 34.13 32.06 2ijx s GLU 108 CO 0.01 0.55 -0.10 -0.06 -0.54 0.00 0.00 175.26 175.11 2ijx s PHE 109 N -0.88 1.36 -0.46 5.30 0.40 0.05 -4.99 117.98 118.76 2ijx s PHE 109 Ca 0.14 -0.53 -0.11 0.00 -0.60 0.00 0.00 56.93 55.82 2ijx s PHE 109 Cb -0.10 -1.05 0.10 0.00 0.51 0.00 0.00 43.02 42.48 2ijx s PHE 109 CO 0.04 -0.31 0.34 1.21 0.70 0.00 0.00 175.22 177.20 2ijx s ASN 110 N 0.92 5.81 0.09 1.36 3.84 -1.26 -0.87 114.94 124.83 2ijx s ASN 110 Ca -0.10 -1.66 0.04 0.00 0.21 0.00 0.00 52.86 51.35 2ijx s ASN 110 Cb -0.15 -2.06 -0.04 0.00 -0.55 0.00 0.00 41.25 38.46 2ijx s ASN 110 CO 0.01 -0.65 0.07 0.68 -2.79 0.00 0.00 177.10 174.42 2ijx s VAL 111 N 1.46 4.44 0.08 -5.21 -7.23 0.45 -4.93 120.40 109.46 2ijx s VAL 111 Ca 0.04 -0.85 -0.31 0.00 -1.81 0.00 0.00 61.98 59.05 2ijx s VAL 111 Cb -0.25 -3.15 -0.07 0.00 0.56 0.00 0.00 36.38 33.47 2ijx s VAL 111 CO 0.02 0.09 1.31 -0.60 -0.31 0.00 0.00 175.10 175.61 2ijx s ARG 112 N -2.48 4.36 0.06 4.82 3.52 -1.26 -1.48 118.95 126.49 2ijx s ARG 112 Ca 0.29 1.93 -0.31 0.00 -0.13 0.00 0.00 55.73 57.52 2ijx s ARG 112 Cb -0.12 -3.32 -0.06 0.00 -1.56 0.00 0.00 34.95 29.90 2ijx s ARG 112 CO 0.22 -0.37 1.24 1.21 -0.81 0.00 0.00 175.30 176.78 2ijx s ASN 113 N 1.15 7.03 0.04 -2.12 2.47 0.50 -4.86 114.94 119.15 2ijx s ASN 113 Ca 0.62 2.05 -0.06 0.00 0.42 0.00 0.00 52.86 55.88 2ijx s ASN 113 Cb -0.33 -2.58 -0.05 0.00 -1.45 0.00 0.00 41.25 36.84 2ijx s ASN 113 CO 0.29 -0.52 0.31 -0.76 -3.72 0.00 0.00 177.10 172.70 2ijx s LEU 114 N 1.22 4.35 -0.38 3.21 1.43 -0.79 -4.85 118.68 122.87 2ijx s LEU 114 Ca 0.60 0.59 -0.21 0.00 -1.03 0.00 0.00 54.13 54.08 2ijx s LEU 114 Cb -0.30 -2.84 0.01 0.00 0.03 0.00 0.00 46.19 43.08 2ijx s LEU 114 CO 0.29 0.20 0.65 -1.61 0.23 0.00 0.00 176.35 176.11 2ijx s GLU 115 N -1.96 3.57 -0.02 1.70 2.02 -1.26 -3.57 118.70 119.18 2ijx s GLU 115 Ca 0.31 -0.05 0.02 0.00 0.02 0.00 0.00 54.97 55.28 2ijx s GLU 115 Cb -0.13 -3.85 -0.03 0.00 0.10 0.00 0.00 34.13 30.22 2ijx s GLU 115 CO 0.18 -0.83 -0.06 0.08 0.02 0.00 0.00 175.26 174.66 2ijx s VAL 116 N 2.79 3.74 0.03 2.63 1.01 -1.26 -5.08 120.40 124.26 2ijx s VAL 116 Ca 0.25 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2ijx s VAL 116 Cb -0.14 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 2ijx s VAL 116 CO 0.16 0.45 1.15 -0.44 0.00 0.00 0.00 175.10 176.42 2ijx s SER 117 N -1.27 7.14 0.39 3.32 0.01 -1.26 -5.03 113.70 117.00 2ijx s SER 117 Ca 0.16 1.91 0.08 0.00 1.31 0.00 0.00 55.95 59.40 2ijx s SER 117 Cb -0.11 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 2ijx s SER 117 CO 0.06 -0.44 0.08 -1.61 0.41 0.00 0.00 173.24 171.74 2ijx s GLU 118 N 1.21 2.09 -0.03 12.44 2.02 -1.26 -5.06 118.70 130.11 2ijx s GLU 118 Ca 0.57 -1.92 -0.06 0.00 0.02 0.00 0.00 54.97 53.58 2ijx s GLU 118 Cb -0.27 -1.84 0.01 0.00 0.10 0.00 0.00 34.13 32.13 2ijx s GLU 118 CO 0.28 -0.03 0.14 -1.14 0.02 0.00 0.00 175.26 174.52 2ijx s GLN 119 N -3.79 0.28 -0.61 1.61 0.74 -1.26 -5.06 119.66 111.58 2ijx s GLN 119 Ca 0.37 -0.03 -0.29 0.00 0.05 0.00 0.00 55.36 55.47 2ijx s GLN 119 Cb 0.05 0.13 -0.12 0.00 1.10 0.00 0.00 33.01 34.17 2ijx s GLN 119 CO 0.20 -0.05 2.46 -1.91 -0.55 0.00 0.00 175.29 175.44 2ijx n GLU 120 N 2.43 0.78 -2.70 1.67 4.07 -1.26 -4.92 120.64 120.71 2ijx n GLU 120 Ca -0.16 0.06 -0.42 0.00 -0.06 0.00 0.00 57.16 56.57 2ijx n GLU 120 Cb 0.58 -2.74 -0.03 0.00 -0.06 0.00 0.00 31.44 29.19 2ijx n GLU 120 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2ijx s ILE 121 N 10.47 4.80 0.50 6.31 1.01 -1.26 -5.17 121.20 137.86 2ijx s ILE 121 Ca 1.11 2.04 0.01 0.00 0.00 0.00 0.00 60.65 63.80 2ijx s ILE 121 Cb -0.59 -4.31 0.01 0.00 0.01 0.00 0.00 42.46 37.58 2ijx s ILE 121 CO 0.36 0.03 0.72 -2.16 0.00 0.00 0.00 174.94 173.89 2ijx s PRO 122 N 1.85 2.82 0.28 2.79 0.04 -1.26 -5.06 135.00 136.46 2ijx s PRO 122 Ca 0.49 -0.62 -0.30 0.00 0.04 0.00 0.00 61.00 60.61 2ijx s PRO 122 Cb -0.19 -2.52 -0.13 0.00 0.04 0.00 0.00 34.50 31.70 2ijx s PRO 122 CO 0.19 -0.48 1.35 -1.91 0.04 0.00 0.00 177.00 176.20 2ijx n GLU 123 N -2.20 2.05 -3.79 4.56 4.07 -1.26 -4.97 120.64 119.09 2ijx n GLU 123 Ca 0.04 0.73 -0.37 0.00 -0.06 0.00 0.00 57.16 57.50 2ijx n GLU 123 Cb 0.59 -2.34 -0.13 0.00 -0.06 0.00 0.00 31.44 29.49 2ijx n GLU 123 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2ijx s ILE 124 N -0.47 3.79 -0.44 6.31 1.01 -1.26 -5.06 121.20 125.07 2ijx s ILE 124 Ca 0.63 -0.76 -0.24 0.00 0.00 0.00 0.00 60.65 60.28 2ijx s ILE 124 Cb -0.62 -2.96 0.02 0.00 0.01 0.00 0.00 42.46 38.92 2ijx s ILE 124 CO 0.55 0.09 0.83 0.20 0.00 0.00 0.00 174.94 176.60 2ijx s ASN 125 N 1.47 6.45 -0.08 3.58 0.01 -1.26 -5.03 114.94 120.08 2ijx s ASN 125 Ca 0.02 0.01 -0.02 0.00 -0.71 0.00 0.00 52.86 52.16 2ijx s ASN 125 Cb -0.17 -2.41 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 2ijx s ASN 125 CO 0.01 -0.94 0.01 -0.76 -1.51 0.00 0.00 177.10 173.91 2ijx s LEU 126 N 3.42 3.60 -0.06 0.60 1.43 -1.26 -5.10 118.68 121.30 2ijx s LEU 126 Ca 0.32 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 2ijx s LEU 126 Cb -0.12 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2ijx s LEU 126 CO 0.23 0.37 -0.12 -1.10 0.23 0.00 0.00 176.35 175.97 2ijx s GLN 127 N -0.94 2.61 0.18 1.70 -1.52 -1.26 -5.13 119.66 115.29 2ijx s GLN 127 Ca 0.14 -0.64 0.07 0.00 -1.95 0.00 0.00 55.36 52.98 2ijx s GLN 127 Cb -0.11 -2.46 -0.04 0.00 -0.22 0.00 0.00 33.01 30.17 2ijx s GLN 127 CO 0.03 0.63 -0.14 -0.06 -0.25 0.00 0.00 175.29 175.49 2ijx s PHE 128 N -0.74 1.62 -0.01 0.91 0.40 -1.26 -4.90 117.98 114.00 2ijx s PHE 128 Ca 0.11 -0.57 0.05 0.00 -0.60 0.00 0.00 56.93 55.91 2ijx s PHE 128 Cb -0.11 -0.78 -0.24 0.00 0.51 0.00 0.00 43.02 42.39 2ijx s PHE 128 CO 0.01 0.28 0.78 -0.44 0.70 0.00 0.00 175.22 176.55 2ijx h ASP 129 N 2.88 0.17 -3.79 1.36 3.32 -1.36 -3.46 116.42 115.54 2ijx h ASP 129 Ca -0.39 -0.28 -0.28 0.00 0.02 0.00 0.00 57.03 56.10 2ijx h ASP 129 Cb 1.21 -0.05 -0.29 0.00 0.22 0.00 0.00 39.33 40.42 2ijx h ASP 129 CO 0.58 1.24 -0.74 -0.63 -1.72 0.00 0.00 179.24 177.98 2ijx s ILE 130 N -2.62 0.19 0.02 0.35 -1.09 -0.94 -0.65 121.20 116.47 2ijx s ILE 130 Ca -0.07 -0.09 0.04 0.00 -2.23 0.00 0.00 60.65 58.29 2ijx s ILE 130 Cb 0.08 -0.18 -0.02 0.00 -1.58 0.00 0.00 42.46 40.76 2ijx s ILE 130 CO 0.83 0.06 -0.12 -0.44 -1.23 0.00 0.00 174.94 174.04 2ijx s SER 131 N 0.02 1.42 -0.07 3.58 0.01 -0.61 -1.80 113.70 116.25 2ijx s SER 131 Ca 0.00 -0.36 -0.17 0.00 1.31 0.00 0.00 55.95 56.73 2ijx s SER 131 Cb -0.02 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.14 2ijx s SER 131 CO -0.00 0.05 0.40 0.00 0.41 0.00 0.00 173.24 174.10 2ijx s ALA 132 N -0.66 -1.01 -0.25 1.44 0.00 0.09 0.31 121.76 121.67 2ijx s ALA 132 Ca 0.02 0.78 -0.09 0.00 0.00 0.00 0.00 51.96 52.66 2ijx s ALA 132 Cb -0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2ijx s ALA 132 CO 0.01 -0.25 0.12 0.99 0.00 0.00 0.00 175.76 176.62 2ijx s THR 133 N -0.74 4.77 0.23 0.00 2.01 -0.07 -0.40 115.64 121.43 2ijx s THR 133 Ca -0.08 -0.02 0.05 0.00 0.31 0.00 0.00 61.69 61.95 2ijx s THR 133 Cb -0.04 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 2ijx s THR 133 CO 0.04 0.32 -0.05 0.27 -0.69 0.00 0.00 174.62 174.50 2ijx s ILE 134 N 1.54 1.32 0.11 1.82 -4.36 -0.34 -0.45 121.20 120.84 2ijx s ILE 134 Ca 0.06 -2.09 -0.33 0.00 -0.26 0.00 0.00 60.65 58.04 2ijx s ILE 134 Cb -0.15 -2.25 -0.12 0.00 1.25 0.00 0.00 42.46 41.18 2ijx s ILE 134 CO 0.06 -0.42 1.73 -0.24 0.24 0.00 0.00 174.94 176.31 2ijx n SER 135 N -0.42 3.56 -0.07 4.36 2.88 -0.02 -0.46 113.62 123.45 2ijx n SER 135 Ca -0.06 1.03 -0.07 0.00 -1.33 0.00 0.00 58.87 58.44 2ijx n SER 135 Cb 0.63 -1.47 0.11 0.00 -0.75 0.00 0.00 64.21 62.73 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 7.43 0.72 -0.40 -3.46 0.02 -0.74 -1.07 113.55 116.06 2ijx h SER 136 Ca -0.46 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.14 2ijx h SER 136 Cb 1.24 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 2ijx h SER 136 CO 0.93 0.93 -0.14 -0.78 -1.14 0.00 0.00 176.83 176.63 2ijx h ASP 137 N 0.63 0.81 -0.60 3.07 3.58 -1.86 -0.57 116.42 121.48 2ijx h ASP 137 Ca 0.09 -0.38 0.01 0.00 0.42 0.00 0.00 57.03 57.17 2ijx h ASP 137 Cb 0.72 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 2ijx h ASP 137 CO 0.06 1.01 0.39 1.23 -2.88 0.00 0.00 179.24 179.04 2ijx h GLY 138 N 0.61 0.85 0.87 -0.78 0.00 -1.88 -0.56 103.07 102.18 2ijx h GLY 138 Ca 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2ijx h GLY 138 CO 0.05 0.28 0.06 -2.75 0.00 0.00 0.00 176.54 174.18 2ijx h PHE 139 N 0.78 0.29 -0.47 5.60 3.04 -1.06 -0.77 116.94 124.35 2ijx h PHE 139 Ca 0.23 -0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.19 2ijx h PHE 139 Cb -0.05 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.34 2ijx h PHE 139 CO -0.04 0.37 0.25 -0.22 -2.02 0.00 0.00 178.31 176.65 2ijx h LYS 140 N 0.13 0.47 -0.70 1.11 3.64 -0.94 -1.14 116.57 119.15 2ijx h LYS 140 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2ijx h LYS 140 Cb 0.21 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2ijx h LYS 140 CO -0.00 0.31 0.44 0.77 -2.27 0.00 0.00 179.45 178.70 2ijx h SER 141 N 0.49 0.81 -0.28 4.20 0.02 -0.89 -1.06 113.55 116.83 2ijx h SER 141 Ca 0.20 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2ijx h SER 141 Cb 0.09 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2ijx h SER 141 CO -0.13 0.61 0.16 0.00 -1.14 0.00 0.00 176.83 176.32 2ijx h ALA 142 N 1.24 0.37 -0.26 3.77 0.00 -0.72 0.54 119.26 124.19 2ijx h ALA 142 Ca 0.25 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2ijx h ALA 142 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2ijx h ALA 142 CO -0.05 -0.10 -0.13 0.82 0.00 0.00 0.00 179.25 179.79 2ijx h ILE 143 N 0.34 1.30 -0.96 0.00 1.08 -1.06 0.12 117.51 118.33 2ijx h ILE 143 Ca 0.10 -1.21 0.01 0.00 -0.39 0.00 0.00 64.86 63.37 2ijx h ILE 143 Cb 0.07 1.53 -0.05 0.00 -3.07 0.00 0.00 36.82 35.30 2ijx h ILE 143 CO -0.02 0.38 0.63 -1.28 -0.69 0.00 0.00 178.15 177.18 2ijx h SER 144 N 0.28 1.11 0.20 1.72 0.87 -1.10 -0.10 113.55 116.52 2ijx h SER 144 Ca 0.06 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2ijx h SER 144 Cb 0.64 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2ijx h SER 144 CO 0.04 0.81 -0.09 -0.08 -0.53 0.00 0.00 176.83 176.97 2ijx h GLU 145 N 1.31 -0.25 -0.79 2.24 4.81 -0.48 -3.22 114.58 118.19 2ijx h GLU 145 Ca 0.35 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.65 2ijx h GLU 145 Cb -0.14 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 2ijx h GLU 145 CO -0.08 0.14 0.52 0.28 -0.73 0.00 0.00 179.01 179.15 2ijx h VAL 146 N -0.77 1.08 0.00 0.32 2.07 -0.73 -2.10 116.25 116.11 2ijx h VAL 146 Ca -0.03 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2ijx h VAL 146 Cb 0.51 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2ijx h VAL 146 CO 0.04 0.17 0.00 -1.20 0.02 0.00 0.00 177.57 176.60 2ijx n SER 147 N -4.47 0.35 -0.12 0.57 7.64 -0.06 -1.89 113.62 115.65 2ijx n SER 147 Ca 0.11 0.61 0.13 0.00 1.01 0.00 0.00 58.87 60.73 2ijx n SER 147 Cb 0.17 -0.68 0.38 0.00 -1.01 0.00 0.00 64.21 63.07 2ijx n SER 147 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2ijx n THR 148 N -1.91 0.00 0.00 0.44 -2.24 -0.79 -4.34 114.28 105.44 2ijx n THR 148 Ca 0.02 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2ijx n THR 148 Cb 0.15 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.06 0.00 -4.02 2.28 0.24 -0.86 -5.10 118.33 109.82 2ijx n VAL 149 Ca 0.10 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.32 2ijx n VAL 149 Cb 0.33 -0.21 -0.10 0.00 -1.47 0.00 0.00 33.84 32.39 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 -1.71 0.17 -0.51 3.34 -1.32 -0.79 -5.03 115.64 109.79 2ijx s THR 150 Ca 0.00 -1.38 0.25 0.00 -1.21 0.00 0.00 61.69 59.36 2ijx s THR 150 Cb 0.00 -0.98 0.32 0.00 -1.51 0.00 0.00 72.50 70.33 2ijx s THR 150 CO 0.00 -0.76 1.71 -2.24 -2.21 0.00 0.00 174.62 171.12 2ijx h ASP 151 N 3.75 0.00 -3.19 8.08 3.04 -1.87 -3.38 116.42 122.85 2ijx h ASP 151 Ca -0.33 0.00 -0.67 0.00 -3.24 0.00 0.00 57.03 52.79 2ijx h ASP 151 Cb 1.17 0.00 -0.35 0.00 -1.04 0.00 0.00 39.33 39.11 2ijx h ASP 151 CO 0.55 0.00 -0.84 0.20 -2.04 0.00 0.00 179.24 177.10 2ijx s ASN 152 N -5.43 3.38 -0.17 4.15 0.01 -1.26 -1.22 114.94 114.40 2ijx s ASN 152 Ca 0.08 -0.73 -0.19 0.00 -0.71 0.00 0.00 52.86 51.31 2ijx s ASN 152 Cb 0.08 -1.51 -0.03 0.00 0.41 0.00 0.00 41.25 40.20 2ijx s ASN 152 CO 0.62 -0.03 0.51 -0.69 -1.51 0.00 0.00 177.10 176.00 2ijx s VAL 153 N 1.28 5.13 -0.18 1.60 1.01 -0.32 -1.75 120.40 127.17 2ijx s VAL 153 Ca 0.03 0.97 -0.18 0.00 0.00 0.00 0.00 61.98 62.80 2ijx s VAL 153 Cb -0.14 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2ijx s VAL 153 CO -0.11 0.22 0.51 -0.69 0.00 0.00 0.00 175.10 175.03 2ijx s VAL 154 N 1.33 5.13 -0.17 2.92 1.01 -0.06 -0.63 120.40 129.93 2ijx s VAL 154 Ca 0.25 0.96 -0.03 0.00 0.00 0.00 0.00 61.98 63.16 2ijx s VAL 154 Cb -0.15 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2ijx s VAL 154 CO 0.10 0.21 -0.06 -0.69 0.00 0.00 0.00 175.10 174.66 2ijx s VAL 155 N 1.39 3.56 0.01 2.92 1.01 0.17 -1.90 120.40 127.56 2ijx s VAL 155 Ca 0.25 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2ijx s VAL 155 Cb -0.15 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 2ijx s VAL 155 CO 0.10 0.48 -0.14 -1.83 0.00 0.00 0.00 175.10 173.71 2ijx s GLU 156 N 0.64 1.06 -0.04 2.72 -1.05 -0.61 -1.65 118.70 119.77 2ijx s GLU 156 Ca -0.04 -0.60 0.06 0.00 -0.15 0.00 0.00 54.97 54.24 2ijx s GLU 156 Cb -0.15 -1.04 -0.02 0.00 -0.44 0.00 0.00 34.13 32.48 2ijx s GLU 156 CO 0.02 0.28 -0.22 0.20 0.95 0.00 0.00 175.26 176.50 2ijx s GLY 157 N -0.65 1.37 0.33 -3.83 0.00 -0.03 -1.15 107.32 103.37 2ijx s GLY 157 Ca 0.04 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.74 2ijx s GLY 157 CO 0.00 -0.79 0.12 1.42 0.00 0.00 0.00 173.10 173.85 2ijx n HIS 158 N 2.55 0.12 0.13 1.90 8.25 -0.45 -2.91 115.22 124.81 2ijx n HIS 158 Ca -0.17 -2.11 0.02 0.00 -0.26 0.00 0.00 57.72 55.20 2ijx n HIS 158 Cb 0.52 -0.01 0.36 0.00 1.12 0.00 0.00 29.99 31.98 2ijx n HIS 158 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2ijx h GLU 159 N 0.00 0.19 0.00 -0.41 3.07 -2.00 -3.23 114.58 112.20 2ijx h GLU 159 Ca -0.26 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 2ijx h GLU 159 Cb 0.98 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 2ijx h GLU 159 CO 0.41 0.42 -0.01 -0.40 -1.40 0.00 0.00 179.01 178.02 2ijx n ASP 160 N -4.20 1.70 -3.49 1.42 5.68 -1.26 -4.92 116.55 111.48 2ijx n ASP 160 Ca -0.01 -1.95 -0.12 0.00 -0.50 0.00 0.00 54.79 52.21 2ijx n ASP 160 Cb 0.33 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.24 2ijx n ASP 160 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ijx s ARG 161 N -1.00 1.01 -0.12 0.11 1.70 -1.22 -4.46 118.95 114.98 2ijx s ARG 161 Ca 0.03 -0.17 0.02 0.00 -0.47 0.00 0.00 55.73 55.14 2ijx s ARG 161 Cb 0.02 0.47 -0.00 0.00 -0.57 0.00 0.00 34.95 34.87 2ijx s ARG 161 CO 0.00 -0.40 -0.20 0.42 -1.08 0.00 0.00 175.30 174.04 2ijx s ILE 162 N -2.62 2.39 -0.09 4.99 -1.09 -0.28 -1.34 121.20 123.17 2ijx s ILE 162 Ca -0.01 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.53 2ijx s ILE 162 Cb -0.01 -1.95 -0.02 0.00 -1.58 0.00 0.00 42.46 38.90 2ijx s ILE 162 CO -0.05 0.55 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.32 2ijx s LEU 163 N 0.42 2.78 -0.15 2.97 1.02 -0.30 -0.04 118.68 125.37 2ijx s LEU 163 Ca -0.15 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 53.78 2ijx s LEU 163 Cb -0.17 -1.60 0.01 0.00 0.02 0.00 0.00 46.19 44.45 2ijx s LEU 163 CO 0.07 0.26 -0.19 -0.63 0.02 0.00 0.00 176.35 175.88 2ijx s ILE 164 N -0.23 2.29 0.10 -0.59 1.01 -0.16 -1.58 121.20 122.03 2ijx s ILE 164 Ca 0.01 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 2ijx s ILE 164 Cb -0.13 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.40 2ijx s ILE 164 CO 0.03 0.53 0.22 -1.59 0.00 0.00 0.00 174.94 174.13 2ijx s LYS 165 N 0.91 0.89 -0.06 2.79 -2.85 -0.80 -0.52 119.74 120.10 2ijx s LYS 165 Ca -0.04 -0.95 -0.30 0.00 -1.00 0.00 0.00 55.97 53.68 2ijx s LYS 165 Cb -0.15 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 2ijx s LYS 165 CO -0.03 -0.29 1.29 0.00 0.10 0.00 0.00 175.35 176.41 2ijx s ALA 166 N -3.86 3.56 0.64 0.59 0.00 -0.76 -0.88 121.76 121.05 2ijx s ALA 166 Ca 0.06 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.51 2ijx s ALA 166 Cb 0.04 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2ijx s ALA 166 CO -0.10 -0.91 0.85 -1.91 0.00 0.00 0.00 175.76 173.69 2ijx n GLU 167 N 5.60 0.67 0.00 0.00 2.13 -0.72 -2.54 120.64 125.78 2ijx n GLU 167 Ca 0.12 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.22 2ijx n GLU 167 Cb 0.45 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.08 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 1.36 0.00 2.61 8.31 0.00 -1.26 -4.74 105.19 111.46 2ijx n GLY 168 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 2ijx n GLY 168 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ijx s GLU 169 N 0.00 0.22 -0.44 1.61 4.04 -1.05 -5.03 118.70 118.05 2ijx s GLU 169 Ca 0.00 -0.39 0.04 0.00 0.04 0.00 0.00 54.97 54.66 2ijx s GLU 169 Cb 0.00 -1.03 0.52 0.00 0.02 0.00 0.00 34.13 33.64 2ijx s GLU 169 CO 0.00 -1.01 1.69 0.43 -1.84 0.00 0.00 175.26 174.54 2ijx n SER 170 N 5.27 4.75 -0.60 0.83 7.64 -1.25 -3.59 113.62 126.67 2ijx n SER 170 Ca -0.05 -3.75 0.13 0.00 1.01 0.00 0.00 58.87 56.22 2ijx n SER 170 Cb 0.44 -0.74 0.37 0.00 -1.01 0.00 0.00 64.21 63.27 2ijx n SER 170 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2ijx n GLU 171 N -1.00 1.78 -3.69 1.43 2.13 -1.26 -4.57 120.64 115.47 2ijx n GLU 171 Ca 0.50 -1.21 -0.39 0.00 0.66 0.00 0.00 57.16 56.72 2ijx n GLU 171 Cb 1.06 -1.47 -0.11 0.00 0.27 0.00 0.00 31.44 31.18 2ijx n GLU 171 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ijx s VAL 172 N -2.06 4.01 -0.23 6.31 1.01 -1.24 -5.06 120.40 123.15 2ijx s VAL 172 Ca 0.33 -1.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 2ijx s VAL 172 Cb 0.20 -3.34 0.12 0.00 0.00 0.00 0.00 36.38 33.36 2ijx s VAL 172 CO 0.35 -0.30 0.41 -1.61 0.00 0.00 0.00 175.10 173.95 2ijx s GLU 173 N 1.42 0.35 -0.22 2.72 2.02 -1.26 -1.83 118.70 121.90 2ijx s GLU 173 Ca 0.01 0.81 -0.09 0.00 0.02 0.00 0.00 54.97 55.72 2ijx s GLU 173 Cb -0.21 -0.02 -0.04 0.00 0.10 0.00 0.00 34.13 33.97 2ijx s GLU 173 CO 0.03 -0.45 0.10 0.08 0.02 0.00 0.00 175.26 175.04 2ijx s VAL 174 N 2.60 4.94 -0.16 2.63 1.01 0.32 -4.96 120.40 126.78 2ijx s VAL 174 Ca 0.06 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 2ijx s VAL 174 Cb -0.14 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2ijx s VAL 174 CO -0.15 0.40 0.09 -0.70 0.00 0.00 0.00 175.10 174.74 2ijx s GLU 175 N 0.84 3.80 -0.29 2.72 2.12 -1.26 -0.99 118.70 125.64 2ijx s GLU 175 Ca 0.05 -0.26 -0.05 0.00 0.36 0.00 0.00 54.97 55.07 2ijx s GLU 175 Cb -0.13 -3.22 0.02 0.00 0.26 0.00 0.00 34.13 31.06 2ijx s GLU 175 CO 0.02 0.45 0.03 -0.06 -0.54 0.00 0.00 175.26 175.17 2ijx s PHE 176 N -0.11 3.15 0.31 5.30 0.40 0.94 -4.79 117.98 123.18 2ijx s PHE 176 Ca 0.08 -1.32 -0.11 0.00 -0.60 0.00 0.00 56.93 54.99 2ijx s PHE 176 Cb -0.12 -2.18 0.01 0.00 0.51 0.00 0.00 43.02 41.24 2ijx s PHE 176 CO 0.01 -0.67 0.57 -1.54 0.70 0.00 0.00 175.22 174.29 2ijx s SER 177 N 1.40 0.26 0.29 1.36 1.04 -1.26 -1.12 113.70 115.67 2ijx s SER 177 Ca 0.00 -1.14 0.07 0.00 0.48 0.00 0.00 55.95 55.36 2ijx s SER 177 Cb -0.18 0.69 0.44 0.00 0.10 0.00 0.00 66.02 67.07 2ijx s SER 177 CO 0.00 -1.34 1.69 0.11 0.98 0.00 0.00 173.24 174.68 2ijx h LYS 178 N 2.13 0.21 -0.45 4.02 1.57 -1.80 0.23 116.57 122.47 2ijx h LYS 178 Ca -0.28 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2ijx h LYS 178 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 2ijx h LYS 178 CO 0.37 0.62 0.28 0.22 -0.57 0.00 0.00 179.45 180.37 2ijx h ASP 179 N 0.18 0.54 1.55 0.86 3.58 -1.96 -2.91 116.42 118.26 2ijx h ASP 179 Ca 0.01 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.33 2ijx h ASP 179 Cb 0.85 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 2ijx h ASP 179 CO 0.07 0.42 -0.44 0.74 -2.88 0.00 0.00 179.24 177.15 2ijx h THR 180 N 0.60 0.75 0.00 2.25 2.02 -1.85 -3.48 112.91 113.21 2ijx h THR 180 Ca 0.16 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.29 2ijx h THR 180 Cb -0.03 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2ijx h THR 180 CO -0.03 0.43 0.00 0.61 0.37 0.00 0.00 175.52 176.89 2ijx n GLY 181 N 1.19 0.69 0.43 2.16 0.00 0.78 -4.90 105.19 105.56 2ijx n GLY 181 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.55 -0.15 3.16 -0.02 0.00 -1.11 -4.88 105.19 99.64 2ijx n GLY 182 Ca 0.00 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.25 2.85 -0.15 0.99 0.20 -1.21 -0.84 118.68 118.27 2ijx s LEU 183 Ca 0.30 -0.86 0.08 0.00 0.69 0.00 0.00 54.13 54.34 2ijx s LEU 183 Cb 0.20 -1.59 -0.23 0.00 -0.43 0.00 0.00 46.19 44.14 2ijx s LEU 183 CO 0.43 -0.09 0.25 1.67 -0.29 0.00 0.00 176.35 178.32 2ijx n GLN 184 N 4.62 0.68 -3.59 1.98 0.00 0.40 -4.57 117.38 116.90 2ijx n GLN 184 Ca -0.18 0.17 -0.15 0.00 -0.00 0.00 0.00 57.00 56.85 2ijx n GLN 184 Cb 0.47 -1.64 -0.07 0.00 0.00 0.00 0.00 30.24 29.01 2ijx n GLN 184 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2ijx s ASP 185 N -6.20 -0.67 -0.07 1.69 2.15 -1.16 -4.97 116.67 107.44 2ijx s ASP 185 Ca -0.16 1.12 -0.03 0.00 0.43 0.00 0.00 52.55 53.91 2ijx s ASP 185 Cb 0.07 1.07 0.04 0.00 -0.30 0.00 0.00 42.92 43.81 2ijx s ASP 185 CO 0.77 -0.35 0.13 -0.22 -0.17 0.00 0.00 175.17 175.32 2ijx s LEU 186 N -0.18 0.28 -0.25 -1.34 0.20 -1.26 -0.90 118.68 115.23 2ijx s LEU 186 Ca -0.03 0.26 -0.08 0.00 0.69 0.00 0.00 54.13 54.97 2ijx s LEU 186 Cb -0.03 0.20 -0.03 0.00 -0.43 0.00 0.00 46.19 45.90 2ijx s LEU 186 CO 0.03 -0.21 0.08 -1.61 -0.29 0.00 0.00 176.35 174.35 2ijx s GLU 187 N 1.85 3.68 -0.22 1.98 0.41 0.15 -5.00 118.70 121.55 2ijx s GLU 187 Ca -0.01 -0.46 -0.02 0.00 -0.41 0.00 0.00 54.97 54.07 2ijx s GLU 187 Cb -0.12 -3.34 0.01 0.00 -1.78 0.00 0.00 34.13 28.90 2ijx s GLU 187 CO -0.05 -0.17 -0.08 0.12 -0.49 0.00 0.00 175.26 174.58 2ijx s PHE 188 N 1.58 2.96 -0.23 1.61 2.19 -1.26 -1.57 117.98 123.27 2ijx s PHE 188 Ca 0.06 -1.33 -0.09 0.00 0.33 0.00 0.00 56.93 55.90 2ijx s PHE 188 Cb -0.15 -2.05 -0.11 0.00 -1.31 0.00 0.00 43.02 39.41 2ijx s PHE 188 CO 0.04 -0.68 -0.27 0.45 1.83 0.00 0.00 175.22 176.59 2ijx n SER 189 N 4.71 1.76 -3.62 6.13 2.88 0.18 -5.04 113.62 120.62 2ijx n SER 189 Ca -0.18 0.20 -0.16 0.00 -1.33 0.00 0.00 58.87 57.40 2ijx n SER 189 Cb 0.49 -0.61 -0.07 0.00 -0.75 0.00 0.00 64.21 63.27 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 -2.42 0.90 0.16 -1.46 -2.85 -0.93 -5.07 119.74 108.07 2ijx s LYS 190 Ca -0.31 0.02 -0.34 0.00 -1.00 0.00 0.00 55.97 54.34 2ijx s LYS 190 Cb 0.11 0.41 -0.15 0.00 -2.06 0.00 0.00 37.83 36.15 2ijx s LYS 190 CO 0.42 -0.28 1.37 -1.91 0.10 0.00 0.00 175.35 175.05 2ijx n GLU 191 N 1.00 1.59 -3.95 1.78 4.07 -1.26 -4.50 120.64 119.37 2ijx n GLU 191 Ca -0.20 0.57 -0.10 0.00 -0.06 0.00 0.00 57.16 57.37 2ijx n GLU 191 Cb 0.57 -2.21 -0.11 0.00 -0.06 0.00 0.00 31.44 29.63 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 0.41 0.18 -0.22 4.31 0.01 -1.15 -4.87 113.70 112.37 2ijx s SER 192 Ca 0.76 -0.39 -0.07 0.00 1.31 0.00 0.00 55.95 57.56 2ijx s SER 192 Cb -0.79 0.11 0.10 0.00 0.21 0.00 0.00 66.02 65.65 2ijx s SER 192 CO 0.47 -0.28 0.46 -0.75 0.41 0.00 0.00 173.24 173.55 2ijx s LYS 193 N -1.28 0.38 0.03 12.44 2.20 -1.26 -0.85 119.74 131.40 2ijx s LYS 193 Ca -0.14 1.07 -0.09 0.00 -0.36 0.00 0.00 55.97 56.45 2ijx s LYS 193 Cb -0.09 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 2ijx s LYS 193 CO -0.00 -0.28 0.19 1.21 -0.36 0.00 0.00 175.35 176.10 2ijx s ASN 194 N 2.67 0.02 0.13 1.43 2.47 -0.66 -4.68 114.94 116.32 2ijx s ASN 194 Ca -0.01 -0.31 0.00 0.00 0.42 0.00 0.00 52.86 52.96 2ijx s ASN 194 Cb -0.12 0.27 -0.04 0.00 -1.45 0.00 0.00 41.25 39.91 2ijx s ASN 194 CO -0.14 -0.51 0.29 -0.44 -3.72 0.00 0.00 177.10 172.58 2ijx s SER 195 N -1.90 6.38 0.04 -4.21 0.01 -1.26 -0.65 113.70 112.11 2ijx s SER 195 Ca -0.08 0.31 -0.03 0.00 1.31 0.00 0.00 55.95 57.46 2ijx s SER 195 Cb -0.03 -1.97 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 2ijx s SER 195 CO -0.02 0.07 0.04 -0.31 0.41 0.00 0.00 173.24 173.43 2ijx s TYR 196 N -1.68 0.33 -0.03 2.43 1.51 0.20 -1.44 117.35 118.66 2ijx s TYR 196 Ca 0.36 -0.73 -0.30 0.00 -1.01 0.00 0.00 57.07 55.39 2ijx s TYR 196 Cb -0.12 -0.24 -0.05 0.00 -0.11 0.00 0.00 41.96 41.45 2ijx s TYR 196 CO 0.28 -0.36 1.42 0.45 -1.11 0.00 0.00 175.55 176.23 2ijx s SER 197 N -2.40 6.83 0.28 2.29 0.15 -1.26 -1.17 113.70 118.43 2ijx s SER 197 Ca -0.01 2.08 0.03 0.00 0.70 0.00 0.00 55.95 58.74 2ijx s SER 197 Cb 0.02 -2.55 0.43 0.00 -1.71 0.00 0.00 66.02 62.20 2ijx s SER 197 CO -0.07 -0.76 1.73 0.00 1.20 0.00 0.00 173.24 175.35 2ijx h ALA 198 N 8.14 1.12 -0.13 5.45 0.00 -1.49 -2.61 119.26 129.74 2ijx h ALA 198 Ca -0.37 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.26 2ijx h ALA 198 Cb 1.17 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2ijx h ALA 198 CO 0.92 0.55 -0.24 1.49 0.00 0.00 0.00 179.25 181.97 2ijx h GLU 199 N 0.44 -0.29 -0.36 0.00 4.81 -1.91 0.99 114.58 118.26 2ijx h GLU 199 Ca 0.07 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 2ijx h GLU 199 Cb 0.64 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2ijx h GLU 199 CO 0.05 -0.19 -0.14 1.88 -0.73 0.00 0.00 179.01 179.87 2ijx h TYR 200 N -0.30 0.70 -0.14 0.92 -1.99 -1.93 -1.69 116.97 112.54 2ijx h TYR 200 Ca 0.10 -0.13 -0.22 0.00 2.00 0.00 0.00 58.73 60.49 2ijx h TYR 200 Cb 0.45 -0.18 0.01 0.00 2.00 0.00 0.00 36.73 39.01 2ijx h TYR 200 CO -0.34 0.75 -0.78 -0.07 -0.00 0.00 0.00 178.16 177.72 2ijx h LEU 201 N 0.58 0.86 -1.17 3.88 3.38 -1.25 -2.82 115.31 118.76 2ijx h LEU 201 Ca 0.10 -0.57 0.05 0.00 0.09 0.00 0.00 57.88 57.55 2ijx h LEU 201 Cb 0.58 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2ijx h LEU 201 CO 0.04 1.36 0.57 0.44 0.09 0.00 0.00 178.44 180.94 2ijx h ASP 202 N 0.49 0.90 -0.72 -0.43 5.19 -0.67 -2.42 116.42 118.76 2ijx h ASP 202 Ca -0.05 -0.00 0.16 0.00 -0.62 0.00 0.00 57.03 56.52 2ijx h ASP 202 Cb 1.40 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 2ijx h ASP 202 CO 0.16 0.60 0.49 0.44 -3.12 0.00 0.00 179.24 177.80 2ijx h ASP 203 N 1.03 0.27 -0.29 6.45 3.32 -1.05 -2.98 116.42 123.18 2ijx h ASP 203 Ca 0.37 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2ijx h ASP 203 Cb 0.13 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2ijx h ASP 203 CO -0.13 0.14 0.00 1.33 -1.72 0.00 0.00 179.24 178.86 2ijx n VAL 204 N -4.44 1.67 0.30 -1.35 0.24 -0.92 -4.37 118.33 109.45 2ijx n VAL 204 Ca 0.14 -1.47 0.16 0.00 -2.04 0.00 0.00 64.34 61.12 2ijx n VAL 204 Cb 0.59 0.10 0.72 0.00 -1.47 0.00 0.00 33.84 33.79 2ijx n VAL 204 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2ijx h LEU 205 N 1.81 0.00 -2.49 1.34 3.38 -1.39 -0.89 115.31 117.07 2ijx h LEU 205 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ijx h LEU 205 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2ijx h LEU 205 CO 0.11 0.00 -0.02 0.77 0.09 0.00 0.00 178.44 179.39 2ijx h SER 206 N 0.00 0.00 0.34 -0.43 4.64 -1.83 -2.04 113.55 114.23 2ijx h SER 206 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2ijx h SER 206 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2ijx h SER 206 CO 0.00 0.02 -0.11 -0.07 -0.87 0.00 0.00 176.83 175.81 2ijx h LEU 207 N 0.00 0.00 -1.40 5.97 3.38 -1.31 -2.47 115.31 119.48 2ijx h LEU 207 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ijx h LEU 207 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2ijx h LEU 207 CO 0.00 0.11 0.00 0.71 0.09 0.00 0.00 178.44 179.35 2ijx h THR 208 N 0.00 0.00 0.00 0.22 1.35 -1.54 -0.93 112.91 112.01 2ijx h THR 208 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2ijx h THR 208 Cb 0.30 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2ijx h THR 208 CO 0.01 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.57 2ijx n LYS 209 N -2.49 0.14 0.12 4.72 5.02 -0.93 -3.74 118.16 121.00 2ijx n LYS 209 Ca -0.00 0.02 -0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2ijx n LYS 209 Cb 0.15 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2ijx n LYS 209 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2ijx h LEU 210 N 0.00 0.00 -7.04 -0.35 3.38 -1.35 -3.47 115.31 106.48 2ijx h LEU 210 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2ijx h LEU 210 Cb 0.40 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.03 2ijx h LEU 210 CO 0.00 0.65 0.18 -0.94 0.09 0.00 0.00 178.44 178.42 2ijx s SER 211 N -6.54 -0.54 0.44 -0.43 1.04 -1.25 -4.76 113.70 101.67 2ijx s SER 211 Ca 0.03 -0.03 0.24 0.00 0.48 0.00 0.00 55.95 56.67 2ijx s SER 211 Cb 0.09 0.59 0.90 0.00 0.10 0.00 0.00 66.02 67.70 2ijx s SER 211 CO 0.77 -0.96 1.82 0.44 0.98 0.00 0.00 173.24 176.28 2ijx h ASP 212 N 2.04 0.00 -4.11 7.02 3.32 -1.91 -3.42 116.42 119.35 2ijx h ASP 212 Ca -0.34 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.19 2ijx h ASP 212 Cb 1.30 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.65 2ijx h ASP 212 CO 0.39 0.21 -0.81 -0.31 -1.72 0.00 0.00 179.24 177.00 2ijx s TYR 213 N -3.61 1.69 -0.05 4.55 1.51 -1.26 -0.07 117.35 120.11 2ijx s TYR 213 Ca 0.01 -0.44 0.05 0.00 -1.01 0.00 0.00 57.07 55.67 2ijx s TYR 213 Cb 0.10 -0.91 -0.00 0.00 -0.11 0.00 0.00 41.96 41.03 2ijx s TYR 213 CO 0.63 0.20 -0.19 0.54 -1.11 0.00 0.00 175.55 175.62 2ijx s VAL 214 N -1.39 1.62 -0.20 0.71 0.11 0.39 -4.71 120.40 116.93 2ijx s VAL 214 Ca 0.07 -0.81 -0.19 0.00 -2.93 0.00 0.00 61.98 58.11 2ijx s VAL 214 Cb -0.09 -1.39 -0.03 0.00 -1.53 0.00 0.00 36.38 33.34 2ijx s VAL 214 CO 0.04 0.46 0.55 -0.75 -3.33 0.00 0.00 175.10 172.08 2ijx s LYS 215 N 0.07 4.19 -0.10 1.54 2.20 -0.35 -1.20 119.74 126.09 2ijx s LYS 215 Ca -0.06 0.47 0.01 0.00 -0.36 0.00 0.00 55.97 56.03 2ijx s LYS 215 Cb -0.13 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 2ijx s LYS 215 CO 0.03 -0.19 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.20 2ijx s ILE 216 N 1.76 3.05 -0.01 5.43 2.07 0.46 -0.41 121.20 133.56 2ijx s ILE 216 Ca 0.25 -0.68 0.02 0.00 -1.41 0.00 0.00 60.65 58.84 2ijx s ILE 216 Cb -0.16 -2.25 -0.00 0.00 0.13 0.00 0.00 42.46 40.18 2ijx s ILE 216 CO 0.10 0.55 -0.08 -0.44 -1.91 0.00 0.00 174.94 173.15 2ijx s SER 217 N -0.00 0.99 0.31 4.50 0.01 -0.34 -0.73 113.70 118.42 2ijx s SER 217 Ca -0.04 -0.15 -0.18 0.00 1.31 0.00 0.00 55.95 56.89 2ijx s SER 217 Cb -0.14 -0.15 0.07 0.00 0.21 0.00 0.00 66.02 66.01 2ijx s SER 217 CO 0.04 0.09 0.91 0.72 0.41 0.00 0.00 173.24 175.41 2ijx s PHE 218 N -0.09 0.13 -0.03 2.43 -0.12 -0.75 -0.27 117.98 119.28 2ijx s PHE 218 Ca 0.02 -0.70 -0.30 0.00 -0.05 0.00 0.00 56.93 55.89 2ijx s PHE 218 Cb -0.04 0.79 0.12 0.00 -0.63 0.00 0.00 43.02 43.26 2ijx s PHE 218 CO -0.00 -1.31 1.31 0.20 -0.05 0.00 0.00 175.22 175.37 2ijx s GLY 219 N -3.26 -0.34 0.02 1.99 0.00 -1.26 -0.94 107.32 103.54 2ijx s GLY 219 Ca 0.19 0.53 -0.30 0.00 0.00 0.00 0.00 44.72 45.14 2ijx s GLY 219 CO 0.09 1.88 1.70 -1.31 0.00 0.00 0.00 173.10 175.46 2ijx s ASN 220 N -3.25 6.60 -1.95 1.64 -0.87 -1.26 -1.73 114.94 114.12 2ijx s ASN 220 Ca 0.19 2.43 0.00 0.00 -1.57 0.00 0.00 52.86 53.91 2ijx s ASN 220 Cb 0.04 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.72 2ijx s ASN 220 CO -0.03 -0.92 0.00 0.00 -2.57 0.00 0.00 177.10 173.57 2ijx n GLN 221 N 6.37 -1.60 -4.34 -0.60 1.13 -1.26 -4.99 117.38 112.09 2ijx n GLN 221 Ca 0.17 1.10 -0.28 0.00 -1.94 0.00 0.00 57.00 56.05 2ijx n GLN 221 Cb 0.41 -5.66 -0.11 0.00 0.11 0.00 0.00 30.24 25.00 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 -4.54 1.75 0.90 -1.09 1.02 -0.71 -4.90 119.74 112.17 2ijx s LYS 222 Ca 0.00 -1.32 -0.10 0.00 0.02 0.00 0.00 55.97 54.57 2ijx s LYS 222 Cb 0.00 -2.03 0.13 0.00 -0.52 0.00 0.00 37.83 35.41 2ijx s LYS 222 CO 0.00 0.44 1.12 -2.14 -0.92 0.00 0.00 175.35 173.85 2ijx s PRO 223 N -2.49 1.17 -0.18 -1.68 0.02 -1.26 -4.26 135.00 126.32 2ijx s PRO 223 Ca 0.20 1.35 -0.07 0.00 0.02 0.00 0.00 61.00 62.50 2ijx s PRO 223 Cb -0.09 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 2ijx s PRO 223 CO 0.11 -2.46 0.05 -1.17 -0.33 0.00 0.00 177.00 173.20 2ijx s LEU 224 N -6.47 3.77 -0.13 -5.54 2.96 -0.31 -4.32 118.68 108.65 2ijx s LEU 224 Ca 0.65 0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.62 2ijx s LEU 224 Cb -0.21 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 2ijx s LEU 224 CO 0.58 0.18 -0.09 -1.58 -1.32 0.00 0.00 176.35 174.12 2ijx s GLN 225 N 0.32 3.35 -0.13 1.98 0.74 0.63 -0.78 119.66 125.76 2ijx s GLN 225 Ca 0.03 -0.62 -0.04 0.00 0.05 0.00 0.00 55.36 54.78 2ijx s GLN 225 Cb -0.12 -2.70 -0.03 0.00 1.10 0.00 0.00 33.01 31.25 2ijx s GLN 225 CO 0.00 0.30 0.02 -0.51 -0.55 0.00 0.00 175.29 174.56 2ijx s LEU 226 N 0.14 3.65 -0.06 3.68 1.43 0.44 -1.20 118.68 126.77 2ijx s LEU 226 Ca -0.05 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2ijx s LEU 226 Cb -0.14 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.22 2ijx s LEU 226 CO 0.04 0.28 -0.10 0.12 0.23 0.00 0.00 176.35 176.92 2ijx s PHE 227 N -0.27 1.31 -0.18 0.29 5.36 0.45 -0.83 117.98 124.11 2ijx s PHE 227 Ca 0.07 -0.48 0.00 0.00 -0.96 0.00 0.00 56.93 55.56 2ijx s PHE 227 Cb -0.12 -0.99 0.01 0.00 -0.34 0.00 0.00 43.02 41.58 2ijx s PHE 227 CO 0.02 -0.28 -0.17 -0.06 -1.46 0.00 0.00 175.22 173.27 2ijx s PHE 228 N 0.80 2.80 -0.00 10.12 0.08 0.80 -1.21 117.98 131.37 2ijx s PHE 228 Ca -0.12 -1.47 -0.23 0.00 0.12 0.00 0.00 56.93 55.22 2ijx s PHE 228 Cb -0.15 -1.94 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 2ijx s PHE 228 CO 0.02 -0.73 0.70 -0.80 -0.10 0.00 0.00 175.22 174.31 2ijx s ASN 229 N 1.26 7.08 0.19 1.36 0.01 -1.26 -1.57 114.94 122.01 2ijx s ASN 229 Ca 0.04 1.29 0.08 0.00 -0.71 0.00 0.00 52.86 53.55 2ijx s ASN 229 Cb -0.14 -2.42 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 2ijx s ASN 229 CO -0.10 -0.01 0.00 -0.04 -1.51 0.00 0.00 177.10 175.45 2ijx s MET 230 N 0.19 2.39 0.37 -0.60 -1.94 0.12 -4.68 119.30 115.16 2ijx s MET 230 Ca 0.36 -1.16 -0.26 0.00 -1.71 0.00 0.00 55.69 52.92 2ijx s MET 230 Cb -0.19 -2.33 -0.12 0.00 2.01 0.00 0.00 34.83 34.21 2ijx s MET 230 CO 0.20 0.44 1.14 0.39 -0.01 0.00 0.00 175.02 177.18 2ijx n GLU 231 N -0.26 1.69 -0.92 2.03 1.02 -1.26 -2.08 120.64 120.85 2ijx n GLU 231 Ca -0.09 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 2ijx n GLU 231 Cb 0.56 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 2ijx n GLU 231 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ijx n GLY 232 N 1.00 0.91 0.62 0.62 0.00 -1.26 -3.96 105.19 103.12 2ijx n GLY 232 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.10 0.84 3.76 -0.02 0.00 -0.88 -4.26 105.19 102.53 2ijx n GLY 233 Ca 0.00 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.04 2.87 -0.02 -0.02 0.00 -1.15 -4.55 107.32 102.41 2ijx s GLY 234 Ca 0.00 1.16 0.01 0.00 0.00 0.00 0.00 44.72 45.90 2ijx s GLY 234 CO 0.00 1.69 -0.05 0.54 0.00 0.00 0.00 173.10 175.28 2ijx s LYS 235 N -2.57 0.57 -0.04 2.90 1.02 0.09 0.16 119.74 121.88 2ijx s LYS 235 Ca 0.63 -0.14 0.01 0.00 0.02 0.00 0.00 55.97 56.49 2ijx s LYS 235 Cb -0.36 -0.59 0.02 0.00 -0.52 0.00 0.00 37.83 36.38 2ijx s LYS 235 CO 0.44 0.03 -0.05 0.08 -0.92 0.00 0.00 175.35 174.93 2ijx s VAL 236 N 0.34 0.57 0.03 3.17 1.01 -0.61 -0.24 120.40 124.68 2ijx s VAL 236 Ca -0.04 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.84 2ijx s VAL 236 Cb -0.08 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 2ijx s VAL 236 CO -0.00 0.22 -0.20 0.42 0.00 0.00 0.00 175.10 175.54 2ijx s THR 237 N 0.71 1.58 -0.09 3.92 -4.23 0.19 -0.14 115.64 117.57 2ijx s THR 237 Ca -0.10 -1.11 0.03 0.00 -1.18 0.00 0.00 61.69 59.33 2ijx s THR 237 Cb -0.13 -1.36 0.01 0.00 1.34 0.00 0.00 72.50 72.35 2ijx s THR 237 CO 0.00 0.22 -0.19 -0.47 -0.54 0.00 0.00 174.62 173.65 2ijx s TYR 238 N -0.74 2.12 -0.10 3.99 6.04 -0.01 -0.69 117.35 127.96 2ijx s TYR 238 Ca 0.07 -0.88 0.04 0.00 0.04 0.00 0.00 57.07 56.33 2ijx s TYR 238 Cb -0.08 -1.47 0.00 0.00 -1.04 0.00 0.00 41.96 39.37 2ijx s TYR 238 CO 0.01 -0.39 -0.21 -1.17 -1.54 0.00 0.00 175.55 172.25 2ijx s LEU 239 N 0.56 1.99 -0.09 6.97 2.96 0.10 -0.42 118.68 130.75 2ijx s LEU 239 Ca -0.15 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.26 2ijx s LEU 239 Cb -0.17 -1.29 0.02 0.00 0.50 0.00 0.00 46.19 45.26 2ijx s LEU 239 CO 0.05 0.13 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.90 2ijx s LEU 240 N 0.44 1.37 0.60 -0.68 2.96 0.04 -1.00 118.68 122.41 2ijx s LEU 240 Ca -0.17 -0.30 -0.20 0.00 -0.22 0.00 0.00 54.13 53.24 2ijx s LEU 240 Cb -0.17 -0.83 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 2ijx s LEU 240 CO 0.07 -0.06 1.29 0.00 -1.32 0.00 0.00 176.35 176.33 2ijx n ALA 241 N 4.49 1.23 -1.76 5.97 0.00 -0.23 -1.16 120.51 129.05 2ijx n ALA 241 Ca -0.17 0.05 -0.33 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 -3.12 3.67 0.43 0.00 0.04 -1.26 -4.74 135.00 130.01 2ijx s PRO 242 Ca 0.78 1.15 -0.23 0.00 0.04 0.00 0.00 61.00 62.74 2ijx s PRO 242 Cb -0.40 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 2ijx s PRO 242 CO 0.44 -0.51 1.05 0.15 0.04 0.00 0.00 177.00 178.17 2ijx s LYS 243 N -3.86 4.04 0.00 4.56 -0.14 -0.52 -5.03 119.74 118.79 2ijx s LYS 243 Ca 0.63 1.49 0.32 0.00 -1.36 0.00 0.00 55.97 57.04 2ijx s LYS 243 Cb -0.14 -2.41 1.91 0.00 -1.68 0.00 0.00 37.83 35.51 2ijx s LYS 243 CO 0.30 -0.25 2.23 1.33 -0.76 0.00 0.00 175.35 178.20