#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ija s GLN 2 N 0.00 2.42 -0.26 3.17 -1.52 -1.26 -5.04 119.66 117.17 1ija s GLN 2 Ca 0.00 1.50 -0.15 0.00 -1.95 0.00 0.00 55.36 54.76 1ija s GLN 2 Cb 0.00 -1.89 0.08 0.00 -0.22 0.00 0.00 33.01 30.97 1ija s GLN 2 CO 0.00 -1.57 0.64 0.00 -0.25 0.00 0.00 175.29 174.11 1ija s ALA 3 N -2.29 -1.73 0.51 6.09 0.00 -1.26 -5.14 121.76 117.93 1ija s ALA 3 Ca 0.69 2.27 -0.19 0.00 0.00 0.00 0.00 51.96 54.73 1ija s ALA 3 Cb -0.23 -1.35 -0.11 0.00 0.00 0.00 0.00 23.12 21.43 1ija s ALA 3 CO 0.45 -0.37 0.36 0.36 0.00 0.00 0.00 175.76 176.57 1ija n LYS 4 N 4.32 0.39 0.00 0.00 2.85 -1.26 -4.98 118.16 119.48 1ija n LYS 4 Ca -0.20 0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1ija n LYS 4 Cb 0.58 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 1ija n LYS 4 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1ija n PRO 5 N 0.54 2.39 -2.15 -1.58 -0.04 -1.26 -4.95 135.00 127.96 1ija n PRO 5 Ca 0.11 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 1ija n PRO 5 Cb 0.45 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.88 1ija n PRO 5 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1ija s GLN 6 N 0.00 4.30 -0.32 0.54 0.74 -1.26 -4.98 119.66 118.68 1ija s GLN 6 Ca 0.00 2.09 0.02 0.00 0.05 0.00 0.00 55.36 57.53 1ija s GLN 6 Cb 0.00 -3.30 0.16 0.00 1.10 0.00 0.00 33.01 30.97 1ija s GLN 6 CO 0.00 -0.48 0.39 0.42 -0.55 0.00 0.00 175.29 175.08 1ija s ILE 7 N 1.34 -0.53 0.31 -2.34 1.01 -1.26 -4.97 121.20 114.76 1ija s ILE 7 Ca 0.65 -0.51 -0.25 0.00 0.00 0.00 0.00 60.65 60.55 1ija s ILE 7 Cb -0.37 -0.83 -0.16 0.00 0.01 0.00 0.00 42.46 41.11 1ija s ILE 7 CO 0.30 -0.38 0.37 -2.65 0.00 0.00 0.00 174.94 172.57 1ija n PRO 8 N 4.96 0.12 0.09 2.79 -0.02 -1.26 -4.87 135.00 136.80 1ija n PRO 8 Ca 0.04 0.04 0.12 0.00 -2.02 0.00 0.00 63.50 61.68 1ija n PRO 8 Cb 0.48 -1.09 0.16 0.00 -0.02 0.00 0.00 33.50 33.04 1ija n PRO 8 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1ija h LYS 9 N 0.75 0.00 -6.48 -0.52 1.57 -1.98 -3.43 116.57 106.48 1ija h LYS 9 Ca -0.33 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.90 1ija h LYS 9 Cb 1.43 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.68 1ija h LYS 9 CO 0.52 0.00 1.05 -0.51 -0.57 0.00 0.00 179.45 179.95 1ija s ASP 10 N -4.62 6.26 0.00 0.86 1.01 -1.26 -4.82 116.67 114.09 1ija s ASP 10 Ca 0.05 0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.55 1ija s ASP 10 Cb 0.12 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1ija s ASP 10 CO 0.72 -1.61 0.59 0.29 0.21 0.00 0.00 175.17 175.36 1ija n LYS 11 N 8.57 0.00 -2.00 8.23 4.01 -1.26 -1.69 118.16 134.02 1ija n LYS 11 Ca 0.11 0.11 -0.29 0.00 -0.51 0.00 0.00 58.31 57.74 1ija n LYS 11 Cb 0.49 -1.51 0.03 0.00 -0.51 0.00 0.00 35.03 33.53 1ija n LYS 11 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1ija n SER 12 N -1.09 5.70 -3.79 4.39 7.64 -1.26 -4.69 113.62 120.52 1ija n SER 12 Ca 0.00 -3.76 -0.13 0.00 1.01 0.00 0.00 58.87 55.99 1ija n SER 12 Cb 0.01 -0.58 -0.14 0.00 -1.01 0.00 0.00 64.21 62.49 1ija n SER 12 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ija s LYS 13 N -3.68 0.10 -0.09 1.43 -0.14 -0.68 -5.10 119.74 111.57 1ija s LYS 13 Ca 0.53 0.27 -0.29 0.00 -1.36 0.00 0.00 55.97 55.12 1ija s LYS 13 Cb 0.43 -0.08 -0.07 0.00 -1.68 0.00 0.00 37.83 36.44 1ija s LYS 13 CO -0.08 -0.10 2.07 0.08 -0.76 0.00 0.00 175.35 176.56 1ija s VAL 14 N 0.68 3.04 -1.98 3.17 1.01 -1.26 -4.26 120.40 120.80 1ija s VAL 14 Ca -0.05 0.05 0.24 0.00 0.00 0.00 0.00 61.98 62.22 1ija s VAL 14 Cb -0.07 -3.04 0.13 0.00 0.00 0.00 0.00 36.38 33.40 1ija s VAL 14 CO -0.03 -0.02 1.31 0.00 0.00 0.00 0.00 175.10 176.36 1ija n ALA 15 N 9.54 3.30 0.00 5.51 0.00 -1.11 -4.97 120.51 132.77 1ija n ALA 15 Ca 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ija n ALA 15 Cb 0.43 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1ija n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ija n GLY 16 N 1.38 -1.20 3.11 0.00 0.00 -1.24 -4.66 105.19 102.58 1ija n GLY 16 Ca 0.11 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 1ija n GLY 16 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ija s TYR 17 N -3.00 -0.49 0.03 1.61 2.02 -0.08 -3.01 117.35 114.43 1ija s TYR 17 Ca 0.00 1.07 -0.03 0.00 -0.37 0.00 0.00 57.07 57.74 1ija s TYR 17 Cb 0.00 0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.62 1ija s TYR 17 CO 0.00 -0.34 0.23 -1.50 -1.57 0.00 0.00 175.55 172.37 1ija s ILE 18 N 1.93 5.36 -0.03 2.71 2.07 -0.54 -0.64 121.20 132.05 1ija s ILE 18 Ca -0.04 -0.13 -0.09 0.00 -1.41 0.00 0.00 60.65 58.98 1ija s ILE 18 Cb -0.11 -3.58 0.01 0.00 0.13 0.00 0.00 42.46 38.91 1ija s ILE 18 CO -0.10 0.25 0.20 -1.61 -1.91 0.00 0.00 174.94 171.77 1ija s GLU 19 N -2.15 0.43 -0.12 3.50 2.02 -0.97 -2.23 118.70 119.18 1ija s GLU 19 Ca 0.31 -0.08 -0.07 0.00 0.02 0.00 0.00 54.97 55.15 1ija s GLU 19 Cb -0.13 0.19 0.05 0.00 0.10 0.00 0.00 34.13 34.34 1ija s GLU 19 CO 0.22 -0.09 0.29 0.42 0.02 0.00 0.00 175.26 176.11 1ija s ILE 20 N -0.77 -0.03 -0.09 -1.63 1.01 -0.66 -1.94 121.20 117.08 1ija s ILE 20 Ca -0.09 0.11 -0.22 0.00 0.00 0.00 0.00 60.65 60.45 1ija s ILE 20 Cb -0.05 -0.43 -0.19 0.00 0.01 0.00 0.00 42.46 41.80 1ija s ILE 20 CO 0.02 0.04 0.77 1.55 0.00 0.00 0.00 174.94 177.32 1ija h PRO 21 N 6.91 -0.06 -0.61 2.79 0.13 -1.86 0.36 132.00 139.67 1ija h PRO 21 Ca -0.37 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.94 1ija h PRO 21 Cb 1.17 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1ija h PRO 21 CO 0.35 0.57 0.59 -0.44 -0.23 0.00 0.00 178.00 178.84 1ija h ASP 22 N -0.88 0.00 -0.11 1.44 5.19 -1.98 0.69 116.42 120.77 1ija h ASP 22 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1ija h ASP 22 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1ija h ASP 22 CO 0.01 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.13 1ija n ALA 23 N -2.42 2.38 -3.84 3.45 0.00 -1.22 -4.69 120.51 114.18 1ija n ALA 23 Ca 0.12 -0.75 -0.29 0.00 0.00 0.00 0.00 53.44 52.52 1ija n ALA 23 Cb 0.82 -0.36 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 1ija n ALA 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ija n ASP 24 N 0.53 -2.38 -4.90 0.00 5.68 0.24 -4.73 116.55 110.98 1ija n ASP 24 Ca 0.07 -0.68 -0.30 0.00 -0.50 0.00 0.00 54.79 53.38 1ija n ASP 24 Cb 0.30 -2.03 -0.04 0.00 -1.14 0.00 0.00 41.12 38.21 1ija n ASP 24 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1ija s ILE 25 N -2.95 5.04 -0.43 2.12 1.01 0.53 -4.91 121.20 121.61 1ija s ILE 25 Ca 0.57 0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.38 1ija s ILE 25 Cb -0.32 -3.67 0.19 0.00 0.01 0.00 0.00 42.46 38.67 1ija s ILE 25 CO 0.70 -0.15 0.85 -1.59 0.00 0.00 0.00 174.94 174.74 1ija s LYS 26 N -3.11 0.70 0.13 2.79 -2.85 -1.25 -1.66 119.74 114.49 1ija s LYS 26 Ca 0.44 -0.60 0.04 0.00 -1.00 0.00 0.00 55.97 54.85 1ija s LYS 26 Cb -0.11 -0.01 -0.04 0.00 -2.06 0.00 0.00 37.83 35.61 1ija s LYS 26 CO 0.26 -0.90 -0.10 -1.21 0.10 0.00 0.00 175.35 173.50 1ija s GLU 27 N 1.17 0.98 0.65 1.78 0.41 -0.95 -4.98 118.70 117.76 1ija s GLU 27 Ca 0.24 -1.36 -0.11 0.00 -0.41 0.00 0.00 54.97 53.34 1ija s GLU 27 Cb 0.03 -0.56 -0.02 0.00 -1.78 0.00 0.00 34.13 31.81 1ija s GLU 27 CO -0.08 0.07 1.04 -1.25 -0.49 0.00 0.00 175.26 174.55 1ija s PRO 28 N -3.49 3.27 -0.25 0.39 0.04 -1.26 -1.47 135.00 132.23 1ija s PRO 28 Ca 0.13 0.57 -0.04 0.00 0.04 0.00 0.00 61.00 61.71 1ija s PRO 28 Cb 0.01 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.56 1ija s PRO 28 CO -0.00 -0.74 0.10 0.08 0.04 0.00 0.00 177.00 176.48 1ija s VAL 29 N -3.22 0.13 0.80 -0.36 1.01 -1.16 -3.65 120.40 113.95 1ija s VAL 29 Ca 0.56 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1ija s VAL 29 Cb -0.11 -0.97 0.07 0.00 0.00 0.00 0.00 36.38 35.37 1ija s VAL 29 CO 0.52 -0.53 1.11 -0.31 0.00 0.00 0.00 175.10 175.89 1ija s TYR 30 N 2.01 2.90 -0.25 5.22 2.02 -0.70 -2.77 117.35 125.78 1ija s TYR 30 Ca 0.06 1.03 -0.20 0.00 -0.37 0.00 0.00 57.07 57.59 1ija s TYR 30 Cb -0.16 -3.19 -0.02 0.00 -0.40 0.00 0.00 41.96 38.18 1ija s TYR 30 CO -0.24 -1.74 0.62 -1.25 -1.57 0.00 0.00 175.55 171.38 1ija s PRO 31 N -5.27 4.11 0.00 -1.71 0.04 -1.26 -2.98 135.00 127.93 1ija s PRO 31 Ca 0.61 0.54 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1ija s PRO 31 Cb -0.13 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1ija s PRO 31 CO 0.53 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.57 1ija n GLY 32 N 4.17 -1.82 3.63 0.56 0.00 -1.26 -4.37 105.19 106.10 1ija n GLY 32 Ca -0.01 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 1ija n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ija s PRO 33 N -1.82 4.05 -0.86 1.61 0.04 -1.26 -2.86 135.00 133.90 1ija s PRO 33 Ca 0.00 0.99 -0.14 0.00 0.04 0.00 0.00 61.00 61.89 1ija s PRO 33 Cb 0.00 -3.73 -0.25 0.00 0.04 0.00 0.00 34.50 30.56 1ija s PRO 33 CO 0.00 -0.85 2.14 0.00 0.04 0.00 0.00 177.00 178.32 1ija n ALA 34 N 6.73 0.82 -2.43 8.56 0.00 -1.08 -4.84 120.51 128.26 1ija n ALA 34 Ca 0.10 -1.06 -0.27 0.00 0.00 0.00 0.00 53.44 52.22 1ija n ALA 34 Cb 0.47 -2.54 -0.12 0.00 0.00 0.00 0.00 19.45 17.26 1ija n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ija s THR 35 N 5.04 2.40 0.16 0.00 -4.23 -1.26 -4.98 115.64 112.78 1ija s THR 35 Ca 1.08 -1.99 -0.15 0.00 -1.18 0.00 0.00 61.69 59.46 1ija s THR 35 Cb -0.54 -2.15 0.04 0.00 1.34 0.00 0.00 72.50 71.20 1ija s THR 35 CO 0.37 -0.10 1.82 1.55 -0.54 0.00 0.00 174.62 177.71 1ija h PRO 36 N 3.23 0.64 0.00 3.99 0.13 -1.97 0.14 132.00 138.16 1ija h PRO 36 Ca -0.47 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 1ija h PRO 36 Cb 1.20 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ija h PRO 36 CO 0.48 0.44 -0.13 1.05 -0.23 0.00 0.00 178.00 179.61 1ija h GLU 37 N 0.65 0.00 0.00 0.86 -0.00 -1.96 -2.00 114.58 112.12 1ija h GLU 37 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.54 1ija h GLU 37 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.70 1ija h GLU 37 CO -0.04 0.13 -0.05 0.37 -0.00 0.00 0.00 179.01 179.42 1ija h GLN 38 N 0.00 0.00 0.00 1.06 -0.00 -1.72 -3.34 115.11 111.12 1ija h GLN 38 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1ija h GLN 38 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.74 1ija h GLN 38 CO 0.02 0.00 0.48 1.28 0.00 0.00 0.00 178.83 180.60 1ija n LEU 39 N -2.58 0.18 0.27 -2.39 4.77 0.41 0.17 117.00 117.83 1ija n LEU 39 Ca -0.01 0.40 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 1ija n LEU 39 Cb 0.03 -0.28 0.76 0.00 -2.33 0.00 0.00 43.42 41.60 1ija n LEU 39 CO 0.01 -0.46 1.00 0.78 -1.33 0.00 0.00 177.39 177.39 1ija h ASN 40 N 0.00 0.00 1.89 -1.43 4.21 -1.48 0.29 115.58 119.07 1ija h ASN 40 Ca 0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1ija h ASN 40 Cb 0.95 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.15 1ija h ASN 40 CO 0.00 0.10 -0.11 -0.09 -1.29 0.00 0.00 177.43 176.04 1ija h ARG 41 N 0.00 0.00 0.00 0.81 9.65 0.16 -3.49 114.38 121.51 1ija h ARG 41 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1ija h ARG 41 Cb 0.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1ija h ARG 41 CO 0.01 0.09 0.00 0.41 2.80 0.00 0.00 179.97 183.28 1ija n GLY 42 N 1.12 -0.56 3.49 2.80 0.00 0.10 -5.10 105.19 107.04 1ija n GLY 42 Ca 0.04 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1ija n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ija s VAL 43 N 0.00 2.64 0.12 1.61 1.01 -1.24 -4.37 120.40 120.17 1ija s VAL 43 Ca 0.00 -2.17 -0.20 0.00 0.00 0.00 0.00 61.98 59.61 1ija s VAL 43 Cb 0.00 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 34.08 1ija s VAL 43 CO 0.00 -0.29 0.50 -0.55 0.00 0.00 0.00 175.10 174.76 1ija s SER 44 N -3.22 -0.40 1.22 3.32 0.15 -1.16 -1.72 113.70 111.87 1ija s SER 44 Ca 0.27 -0.09 -0.17 0.00 0.70 0.00 0.00 55.95 56.65 1ija s SER 44 Cb -0.06 0.53 0.25 0.00 -1.71 0.00 0.00 66.02 65.02 1ija s SER 44 CO 0.14 -0.87 0.58 0.49 1.20 0.00 0.00 173.24 174.79 1ija n PHE 45 N -0.15 -2.09 0.64 3.44 3.72 -1.16 -2.36 117.46 119.50 1ija n PHE 45 Ca -0.17 -0.21 0.13 0.00 -0.05 0.00 0.00 57.45 57.15 1ija n PHE 45 Cb 0.63 -1.52 0.36 0.00 -0.94 0.00 0.00 39.48 38.01 1ija n PHE 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ija n ALA 46 N -4.97 2.45 -3.15 4.37 0.00 0.55 -2.65 120.51 117.11 1ija n ALA 46 Ca 0.05 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1ija n ALA 46 Cb 0.55 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 1ija n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ija s GLU 47 N -3.11 0.44 0.57 0.00 2.02 -1.25 -3.57 118.70 113.80 1ija s GLU 47 Ca 0.10 -0.03 0.30 0.00 0.02 0.00 0.00 54.97 55.36 1ija s GLU 47 Cb 0.13 0.20 1.73 0.00 0.10 0.00 0.00 34.13 36.29 1ija s GLU 47 CO 0.62 -0.10 2.19 1.05 0.02 0.00 0.00 175.26 179.05 1ija h GLU 48 N 4.82 0.00 -0.12 1.61 -0.00 -1.85 -1.28 114.58 117.77 1ija h GLU 48 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.08 1ija h GLU 48 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.94 1ija h GLU 48 CO 0.38 0.05 0.00 -1.71 -0.00 0.00 0.00 179.01 177.73 1ija n ASN 49 N -3.67 1.45 -4.75 3.06 2.85 -1.26 -4.55 115.26 108.40 1ija n ASN 49 Ca -0.02 -1.62 -0.36 0.00 -0.11 0.00 0.00 54.58 52.47 1ija n ASN 49 Cb 0.15 -0.07 0.04 0.00 1.24 0.00 0.00 39.78 41.14 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1ija s GLU 50 N -1.86 2.83 0.10 1.20 2.56 -0.48 -5.01 118.70 118.03 1ija s GLU 50 Ca 0.34 1.87 -0.11 0.00 0.00 0.00 0.00 54.97 57.07 1ija s GLU 50 Cb 0.18 -1.90 0.01 0.00 2.00 0.00 0.00 34.13 34.42 1ija s GLU 50 CO 0.28 -1.33 0.26 -1.12 -0.56 0.00 0.00 175.26 172.78 1ija s SER 51 N -1.58 0.00 0.00 -1.70 0.01 -1.26 -4.96 113.70 104.21 1ija s SER 51 Ca 0.78 -0.52 0.15 0.00 1.31 0.00 0.00 55.95 57.67 1ija s SER 51 Cb -0.32 0.38 0.78 0.00 0.21 0.00 0.00 66.02 67.07 1ija s SER 51 CO 0.35 -0.75 1.38 0.00 0.41 0.00 0.00 173.24 174.63 1ija n LEU 52 N -0.06 0.00 -0.00 2.44 -0.00 -1.26 -1.68 117.00 116.44 1ija n LEU 52 Ca -0.16 0.21 0.11 0.00 -0.00 0.00 0.00 56.01 56.17 1ija n LEU 52 Cb 0.63 -0.21 -0.13 0.00 -0.00 0.00 0.00 43.42 43.70 1ija n LEU 52 CO 0.21 -0.11 -0.40 0.47 -0.00 0.00 0.00 177.39 177.56 1ija n ASP 53 N -1.21 0.48 -4.59 1.45 9.92 -1.26 -4.88 116.55 116.45 1ija n ASP 53 Ca 0.08 -0.44 -0.41 0.00 -0.53 0.00 0.00 54.79 53.49 1ija n ASP 53 Cb 0.10 1.48 -0.03 0.00 -0.64 0.00 0.00 41.12 42.03 1ija n ASP 53 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1ija s ASP 54 N -3.83 5.20 0.55 -2.24 1.01 -0.68 -4.73 116.67 111.94 1ija s ASP 54 Ca -0.00 1.69 0.11 0.00 0.71 0.00 0.00 52.55 55.05 1ija s ASP 54 Cb 0.15 -2.51 0.58 0.00 1.01 0.00 0.00 42.92 42.15 1ija s ASP 54 CO 0.88 -2.19 1.27 -0.61 0.21 0.00 0.00 175.17 174.73 1ija h GLN 55 N 16.21 0.00 -3.80 8.23 4.15 -1.90 -3.12 115.11 134.89 1ija h GLN 55 Ca -0.37 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 58.44 1ija h GLN 55 Cb 1.25 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.54 1ija h GLN 55 CO 1.01 0.00 -0.74 1.21 -1.93 0.00 0.00 178.83 178.38 1ija s ASN 56 N -3.38 4.20 0.24 -0.69 3.84 -1.26 -2.56 114.94 115.32 1ija s ASN 56 Ca -0.01 -1.97 -0.03 0.00 0.21 0.00 0.00 52.86 51.06 1ija s ASN 56 Cb 0.03 -1.13 -0.05 0.00 -0.55 0.00 0.00 41.25 39.55 1ija s ASN 56 CO 0.10 -0.38 0.47 -0.63 -2.79 0.00 0.00 177.10 173.87 1ija s ILE 57 N 1.18 5.11 -0.13 -5.21 1.01 -0.58 -4.98 121.20 117.60 1ija s ILE 57 Ca 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 1ija s ILE 57 Cb -0.19 -3.72 0.07 0.00 0.01 0.00 0.00 42.46 38.62 1ija s ILE 57 CO -0.16 -0.23 0.22 -0.44 0.00 0.00 0.00 174.94 174.33 1ija s SER 58 N -3.10 0.72 0.24 3.58 0.01 -1.26 0.05 113.70 113.94 1ija s SER 58 Ca 0.41 0.32 0.09 0.00 1.31 0.00 0.00 55.95 58.08 1ija s SER 58 Cb -0.11 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 1ija s SER 58 CO 0.29 -0.26 -0.01 -0.63 0.41 0.00 0.00 173.24 173.04 1ija s ILE 59 N 2.36 3.49 -0.01 1.44 1.01 -0.97 0.20 121.20 128.73 1ija s ILE 59 Ca 0.03 -1.79 0.00 0.00 0.00 0.00 0.00 60.65 58.89 1ija s ILE 59 Cb -0.13 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.51 1ija s ILE 59 CO -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 174.94 174.55 1ija s ALA 60 N -2.16 0.08 0.04 9.38 0.00 -0.99 -1.09 121.76 127.03 1ija s ALA 60 Ca 0.30 0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.31 1ija s ALA 60 Cb -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1ija s ALA 60 CO 0.19 -0.03 0.03 0.20 0.00 0.00 0.00 175.76 176.16 1ija s GLY 61 N 0.35 0.29 1.17 0.00 0.00 -0.96 -3.00 107.32 105.17 1ija s GLY 61 Ca -0.03 -0.81 -0.19 0.00 0.00 0.00 0.00 44.72 43.69 1ija s GLY 61 CO -0.01 -0.93 1.15 0.30 0.00 0.00 0.00 173.10 173.61 1ija s HIS 62 N -3.01 0.59 -0.42 1.90 3.76 -1.26 0.07 115.29 116.92 1ija s HIS 62 Ca -0.02 0.43 0.04 0.00 -0.15 0.00 0.00 55.06 55.36 1ija s HIS 62 Cb 0.01 -3.60 0.19 0.00 1.11 0.00 0.00 32.58 30.29 1ija s HIS 62 CO -0.07 -3.71 0.75 -0.08 -0.85 0.00 0.00 174.74 170.79 1ija s THR 63 N -3.19 -0.82 -0.26 1.30 -1.32 -1.05 -0.44 115.64 109.86 1ija s THR 63 Ca 0.72 -0.29 -0.22 0.00 -1.21 0.00 0.00 61.69 60.70 1ija s THR 63 Cb -0.08 0.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.90 1ija s THR 63 CO 0.55 0.00 0.69 -0.36 -2.21 0.00 0.00 174.62 173.29 1ija s PHE 64 N 1.53 3.27 0.46 9.09 0.40 -1.26 -4.81 117.98 126.66 1ija s PHE 64 Ca 0.20 0.85 0.13 0.00 -0.60 0.00 0.00 56.93 57.52 1ija s PHE 64 Cb -0.01 -2.95 1.06 0.00 0.51 0.00 0.00 43.02 41.64 1ija s PHE 64 CO -0.08 -0.39 2.06 0.82 0.70 0.00 0.00 175.22 178.33 1ija h ILE 65 N 5.45 1.08 -0.09 0.64 2.04 -1.99 -0.88 117.51 123.76 1ija h ILE 65 Ca -0.26 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1ija h ILE 65 Cb 1.11 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1ija h ILE 65 CO 0.81 0.10 0.00 -0.90 0.00 0.00 0.00 178.15 178.16 1ija n ASP 66 N -4.43 1.24 -2.97 1.72 5.68 -1.26 -4.09 116.55 112.44 1ija n ASP 66 Ca -0.02 -2.08 -0.16 0.00 -0.50 0.00 0.00 54.79 52.04 1ija n ASP 66 Cb 0.16 -0.34 -0.01 0.00 -1.14 0.00 0.00 41.12 39.78 1ija n ASP 66 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1ija n ARG 67 N -0.02 0.71 0.00 0.11 0.63 -0.33 -5.00 116.66 112.76 1ija n ARG 67 Ca 0.04 -2.46 0.00 0.00 -0.92 0.00 0.00 57.85 54.50 1ija n ARG 67 Cb 0.27 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 31.81 1ija n ARG 67 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1ija n PRO 68 N 1.67 0.00 -2.94 -0.14 -0.02 -1.26 -2.87 135.00 129.44 1ija n PRO 68 Ca 0.16 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.50 1ija n PRO 68 Cb 0.58 -0.81 0.02 0.00 -0.02 0.00 0.00 33.50 33.27 1ija n PRO 68 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ija n ASN 69 N 0.19 -1.16 -3.38 2.55 6.94 -1.26 -4.81 115.26 114.34 1ija n ASN 69 Ca 0.00 -3.28 -0.09 0.00 -0.02 0.00 0.00 54.58 51.19 1ija n ASN 69 Cb 0.00 0.79 -0.08 0.00 -2.36 0.00 0.00 39.78 38.13 1ija n ASN 69 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1ija s TYR 70 N -0.65 -0.80 0.00 -2.53 5.04 -1.14 -5.04 117.35 112.23 1ija s TYR 70 Ca 0.31 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 1ija s TYR 70 Cb 0.28 0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.61 1ija s TYR 70 CO -0.11 -0.70 0.00 1.04 -1.34 0.00 0.00 175.55 174.45 1ija n GLN 71 N 5.36 0.00 -0.35 4.97 6.02 -1.26 -1.05 117.38 131.08 1ija n GLN 71 Ca -0.04 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.04 1ija n GLN 71 Cb 0.50 0.00 0.27 0.00 1.02 0.00 0.00 30.24 32.03 1ija n GLN 71 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ija n PHE 72 N 7.70 0.90 0.27 1.08 3.01 0.42 -4.42 117.46 126.41 1ija n PHE 72 Ca 0.00 -0.42 0.08 0.00 1.01 0.00 0.00 57.45 58.12 1ija n PHE 72 Cb 0.00 -0.04 0.45 0.00 -0.01 0.00 0.00 39.48 39.87 1ija n PHE 72 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ija h THR 73 N 3.52 0.00 0.00 4.37 2.02 -0.99 -0.93 112.91 120.89 1ija h THR 73 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ija h THR 73 Cb 0.90 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1ija h THR 73 CO 0.04 0.00 -0.90 0.59 0.37 0.00 0.00 175.52 175.62 1ija n ASN 74 N -2.46 4.49 0.01 4.18 4.13 -1.26 -4.64 115.26 119.71 1ija n ASN 74 Ca -0.01 0.00 0.21 0.00 1.68 0.00 0.00 54.58 56.46 1ija n ASN 74 Cb 0.52 0.74 0.71 0.00 -1.54 0.00 0.00 39.78 40.21 1ija n ASN 74 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1ija h LEU 75 N 0.00 0.00 0.00 3.41 6.46 -1.41 2.23 115.31 126.00 1ija h LEU 75 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1ija h LEU 75 Cb 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1ija h LEU 75 CO 0.00 0.00 0.00 2.29 -0.62 0.00 0.00 178.44 180.11 1ija n LYS 76 N -4.22 0.22 0.07 1.25 2.85 -1.17 -2.15 118.16 115.01 1ija n LYS 76 Ca 0.10 0.08 0.04 0.00 -1.05 0.00 0.00 58.31 57.48 1ija n LYS 76 Cb 0.62 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.47 1ija n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ija h ALA 77 N 2.99 0.63 -2.14 0.58 0.00 0.34 -3.47 119.26 118.19 1ija h ALA 77 Ca 0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.18 1ija h ALA 77 Cb 0.28 0.15 0.11 0.00 0.00 0.00 0.00 17.79 18.32 1ija h ALA 77 CO 0.00 0.61 -0.09 0.00 0.00 0.00 0.00 179.25 179.78 1ija n ALA 78 N -2.31 -2.58 -3.06 0.00 0.00 -0.92 -4.96 120.51 106.68 1ija n ALA 78 Ca -0.05 -0.75 -0.10 0.00 0.00 0.00 0.00 53.44 52.54 1ija n ALA 78 Cb 0.74 -0.07 -0.05 0.00 0.00 0.00 0.00 19.45 20.08 1ija n ALA 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ija s LYS 79 N -3.46 1.21 0.19 0.00 -2.85 -1.26 -5.07 119.74 108.50 1ija s LYS 79 Ca 0.33 -0.86 -0.33 0.00 -1.00 0.00 0.00 55.97 54.11 1ija s LYS 79 Cb -0.06 0.47 -0.14 0.00 -2.06 0.00 0.00 37.83 36.04 1ija s LYS 79 CO 0.27 -0.48 1.39 1.17 0.10 0.00 0.00 175.35 177.80 1ija n LYS 80 N -0.27 1.80 -0.11 1.78 4.81 -1.26 -1.01 118.16 123.90 1ija n LYS 80 Ca -0.12 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 1ija n LYS 80 Cb 0.63 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1ija n LYS 80 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ija n GLY 81 N 2.47 0.64 0.00 3.14 0.00 0.76 -4.97 105.19 107.23 1ija n GLY 81 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ija n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ija n SER 82 N 0.00 -0.25 -4.04 1.61 2.88 -0.18 -4.56 113.62 109.08 1ija n SER 82 Ca 0.00 -0.03 -0.08 0.00 -1.33 0.00 0.00 58.87 57.43 1ija n SER 82 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1ija n SER 82 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1ija s MET 83 N -0.46 0.83 0.04 -1.46 -1.94 -1.26 -2.67 119.30 112.39 1ija s MET 83 Ca 0.00 -1.22 -0.09 0.00 -1.71 0.00 0.00 55.69 52.68 1ija s MET 83 Cb 0.00 0.27 0.00 0.00 2.01 0.00 0.00 34.83 37.11 1ija s MET 83 CO 0.00 -0.23 0.17 0.08 -0.01 0.00 0.00 175.02 175.03 1ija s VAL 84 N -3.95 0.12 -0.20 -6.03 1.01 -1.14 -4.50 120.40 105.70 1ija s VAL 84 Ca 0.13 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1ija s VAL 84 Cb 0.06 -0.96 0.07 0.00 0.00 0.00 0.00 36.38 35.56 1ija s VAL 84 CO -0.05 -0.54 0.12 -0.31 0.00 0.00 0.00 175.10 174.32 1ija s TYR 85 N -2.73 0.14 -0.39 5.22 2.02 -0.82 -1.99 117.35 118.79 1ija s TYR 85 Ca -0.04 -0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.14 1ija s TYR 85 Cb -0.00 -0.68 0.01 0.00 -0.40 0.00 0.00 41.96 40.88 1ija s TYR 85 CO -0.05 -0.59 0.48 0.12 -1.57 0.00 0.00 175.55 173.94 1ija s PHE 86 N 2.16 3.16 -0.09 2.71 5.36 -1.01 -2.28 117.98 127.98 1ija s PHE 86 Ca 0.04 -0.10 -0.10 0.00 -0.96 0.00 0.00 56.93 55.81 1ija s PHE 86 Cb -0.16 -2.95 -0.05 0.00 -0.34 0.00 0.00 43.02 39.53 1ija s PHE 86 CO -0.15 -0.64 0.22 0.21 -1.46 0.00 0.00 175.22 173.40 1ija s LYS 87 N 2.32 3.65 0.01 10.12 2.20 0.19 -2.60 119.74 135.62 1ija s LYS 87 Ca 0.16 0.02 -0.06 0.00 -0.36 0.00 0.00 55.97 55.73 1ija s LYS 87 Cb -0.16 -3.22 -0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1ija s LYS 87 CO 0.14 0.70 0.11 0.14 -0.36 0.00 0.00 175.35 176.09 1ija s VAL 88 N -0.89 0.09 0.18 4.02 -7.23 -1.11 -0.90 120.40 114.56 1ija s VAL 88 Ca 0.17 -0.74 0.06 0.00 -1.81 0.00 0.00 61.98 59.66 1ija s VAL 88 Cb -0.13 -0.43 0.06 0.00 0.56 0.00 0.00 36.38 36.44 1ija s VAL 88 CO 0.06 -0.41 0.99 0.61 -0.31 0.00 0.00 175.10 176.04 1ija n GLY 89 N 1.43 -0.41 0.06 2.32 0.00 -1.26 -1.14 105.19 106.19 1ija n GLY 89 Ca -0.23 0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 1ija n GLY 89 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ija h ASN 90 N 0.00 0.00 -5.60 1.61 -1.24 -1.96 -3.50 115.58 104.88 1ija h ASN 90 Ca 0.00 -0.12 0.26 0.00 0.71 0.00 0.00 56.30 57.15 1ija h ASN 90 Cb 1.09 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 40.04 1ija h ASN 90 CO 0.00 0.69 0.70 -0.70 -1.29 0.00 0.00 177.43 176.83 1ija s GLU 91 N -1.89 0.74 0.10 6.67 2.12 -0.30 -5.16 118.70 120.98 1ija s GLU 91 Ca -0.08 -0.43 -0.03 0.00 0.36 0.00 0.00 54.97 54.79 1ija s GLU 91 Cb 0.01 0.24 -0.05 0.00 0.26 0.00 0.00 34.13 34.59 1ija s GLU 91 CO 0.17 -0.34 0.30 -0.08 -0.54 0.00 0.00 175.26 174.77 1ija s THR 92 N -2.64 5.27 0.20 -1.70 -1.32 -1.26 -2.75 115.64 111.44 1ija s THR 92 Ca 0.16 -0.15 -0.02 0.00 -1.21 0.00 0.00 61.69 60.47 1ija s THR 92 Cb 0.02 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.35 1ija s THR 92 CO -0.01 0.10 0.14 0.00 -2.21 0.00 0.00 174.62 172.64 1ija s ARG 93 N -2.54 1.19 0.05 7.08 3.03 -1.07 -5.02 118.95 121.66 1ija s ARG 93 Ca 0.38 -1.59 -0.04 0.00 2.03 0.00 0.00 55.73 56.51 1ija s ARG 93 Cb -0.13 0.28 -0.02 0.00 -1.03 0.00 0.00 34.95 34.05 1ija s ARG 93 CO 0.26 -0.39 0.06 -1.59 -1.13 0.00 0.00 175.30 172.51 1ija s LYS 94 N -4.14 0.60 0.30 3.89 0.00 -1.26 -2.41 119.74 116.73 1ija s LYS 94 Ca 0.37 -0.90 0.05 0.00 0.00 0.00 0.00 55.97 55.49 1ija s LYS 94 Cb 0.07 0.23 -0.02 0.00 0.00 0.00 0.00 37.83 38.10 1ija s LYS 94 CO 0.11 -0.14 0.19 0.66 0.00 0.00 0.00 175.35 176.17 1ija n TYR 95 N 0.56 -0.37 -3.60 1.78 4.02 -0.84 -4.53 117.16 114.18 1ija n TYR 95 Ca -0.18 -2.29 -0.16 0.00 -0.01 0.00 0.00 57.90 55.27 1ija n TYR 95 Cb 0.59 0.15 -0.13 0.00 -0.02 0.00 0.00 39.34 39.93 1ija n TYR 95 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1ija s LYS 96 N -3.20 0.14 -0.32 -0.72 2.20 -1.01 -2.91 119.74 113.93 1ija s LYS 96 Ca 0.27 0.52 -0.36 0.00 -0.36 0.00 0.00 55.97 56.05 1ija s LYS 96 Cb 0.01 -0.48 -0.12 0.00 -1.51 0.00 0.00 37.83 35.73 1ija s LYS 96 CO 0.19 -0.42 2.11 -1.33 -0.36 0.00 0.00 175.35 175.55 1ija n MET 97 N 5.34 1.18 -1.40 4.03 2.81 -1.09 -3.10 117.12 124.89 1ija n MET 97 Ca -0.05 0.35 0.04 0.00 -1.81 0.00 0.00 57.70 56.22 1ija n MET 97 Cb 0.50 -2.44 0.02 0.00 -0.71 0.00 0.00 33.22 30.58 1ija n MET 97 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1ija n THR 98 N 6.74 0.00 -3.65 2.03 -1.04 -1.10 0.27 114.28 117.54 1ija n THR 98 Ca 0.38 -0.90 -0.02 0.00 -2.04 0.00 0.00 64.05 61.47 1ija n THR 98 Cb 0.22 0.95 -0.06 0.00 -1.82 0.00 0.00 70.33 69.62 1ija n THR 98 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ija s SER 99 N -1.90 -0.04 0.12 8.00 1.04 -0.90 -4.98 113.70 115.04 1ija s SER 99 Ca 0.30 0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.79 1ija s SER 99 Cb 0.35 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1ija s SER 99 CO -0.15 -0.02 0.06 -0.63 0.98 0.00 0.00 173.24 173.48 1ija s ILE 100 N -0.18 0.12 0.00 -1.02 1.01 -1.26 -0.10 121.20 119.78 1ija s ILE 100 Ca 0.08 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 58.89 1ija s ILE 100 Cb -0.04 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.52 1ija s ILE 100 CO -0.15 -0.56 0.00 0.54 0.00 0.00 0.00 174.94 174.78 1ija n ARG 101 N -0.06 0.00 0.14 2.79 5.12 -1.19 -4.82 116.66 118.65 1ija n ARG 101 Ca -0.07 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.00 1ija n ARG 101 Cb 0.63 -0.04 0.46 0.00 -1.16 0.00 0.00 32.46 32.35 1ija n ARG 101 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 1ija h ASP 102 N 0.00 0.00 1.33 0.55 3.04 -1.27 2.37 116.42 122.44 1ija h ASP 102 Ca 0.00 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.70 1ija h ASP 102 Cb 0.05 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.32 1ija h ASP 102 CO 0.00 0.00 -0.70 1.62 -2.04 0.00 0.00 179.24 178.12 1ija h VAL 103 N 0.00 0.55 -1.06 4.15 3.04 -1.87 -3.39 116.25 117.66 1ija h VAL 103 Ca 0.17 -1.85 -0.37 0.00 -1.01 0.00 0.00 66.70 63.63 1ija h VAL 103 Cb 1.74 2.17 -0.28 0.00 -2.01 0.00 0.00 31.29 32.90 1ija h VAL 103 CO -0.00 0.31 -0.84 2.29 -1.01 0.00 0.00 177.57 178.32 1ija n LYS 104 N -3.07 0.94 0.02 4.17 2.85 0.77 -5.03 118.16 118.81 1ija n LYS 104 Ca -0.01 -2.67 -0.01 0.00 -1.05 0.00 0.00 58.31 54.58 1ija n LYS 104 Cb 0.71 -1.38 -0.00 0.00 -0.65 0.00 0.00 35.03 33.71 1ija n LYS 104 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1ija h PRO 105 N 3.20 -0.05 0.00 -1.58 0.13 -0.77 -3.46 132.00 129.47 1ija h PRO 105 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ija h PRO 105 Cb 1.01 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1ija h PRO 105 CO 0.34 -0.03 0.00 0.25 -0.23 0.00 0.00 178.00 178.33 1ija n THR 106 N -2.28 0.00 0.00 1.56 -2.24 -1.26 -4.31 114.28 105.74 1ija n THR 106 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1ija n THR 106 Cb 0.02 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1ija n THR 106 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ija n ASP 107 N 0.47 0.00 -0.80 3.42 8.00 -1.26 -4.60 116.55 121.77 1ija n ASP 107 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ija n ASP 107 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ija n ASP 107 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1ija n VAL 108 N 0.00 0.47 0.00 2.53 0.24 -1.26 -3.20 118.33 117.11 1ija n VAL 108 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ija n VAL 108 Cb 0.00 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 1ija n VAL 108 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ija n GLY 109 N 0.40 0.00 0.28 7.63 0.00 -1.26 -4.92 105.19 107.32 1ija n GLY 109 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ija n GLY 109 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ija h VAL 110 N 0.00 1.27 -2.47 1.61 2.07 -1.74 -3.22 116.25 113.78 1ija h VAL 110 Ca 0.00 -1.27 -0.81 0.00 0.82 0.00 0.00 66.70 65.44 1ija h VAL 110 Cb 0.00 1.06 -0.27 0.00 -1.52 0.00 0.00 31.29 30.55 1ija h VAL 110 CO 0.00 0.44 0.94 0.18 0.02 0.00 0.00 177.57 179.15 1ija n LEU 111 N -4.14 7.03 -0.31 2.57 4.77 -1.25 -4.29 117.00 121.37 1ija n LEU 111 Ca 0.01 -5.34 -0.01 0.00 -0.03 0.00 0.00 56.01 50.65 1ija n LEU 111 Cb 0.41 -1.20 -0.01 0.00 -2.33 0.00 0.00 43.42 40.29 1ija n LEU 111 CO 0.45 1.94 0.10 -0.67 -1.33 0.00 0.00 177.39 177.88 1ija n ASP 112 N 0.40 -0.09 -0.56 -1.43 2.03 -1.21 -4.97 116.55 110.70 1ija n ASP 112 Ca 0.40 -0.47 -0.01 0.00 0.52 0.00 0.00 54.79 55.22 1ija n ASP 112 Cb 0.28 0.03 -0.01 0.00 -0.72 0.00 0.00 41.12 40.70 1ija n ASP 112 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1ija n GLU 113 N 0.00 0.00 -0.36 -0.67 0.28 -1.26 -4.96 120.64 113.68 1ija n GLU 113 Ca -0.03 -0.19 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 1ija n GLU 113 Cb 0.25 0.45 0.00 0.00 1.43 0.00 0.00 31.44 33.57 1ija n GLU 113 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ija n GLN 114 N 0.00 0.00 -0.43 3.44 6.02 -1.26 -4.77 117.38 120.37 1ija n GLN 114 Ca -0.05 -0.84 0.09 0.00 -0.01 0.00 0.00 57.00 56.18 1ija n GLN 114 Cb 0.32 -0.49 0.28 0.00 1.02 0.00 0.00 30.24 31.37 1ija n GLN 114 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1ija n LYS 115 N 0.00 3.23 -2.47 -1.09 2.85 -1.26 -4.44 118.16 114.98 1ija n LYS 115 Ca 0.00 -2.62 -0.16 0.00 -1.05 0.00 0.00 58.31 54.48 1ija n LYS 115 Cb 0.64 -1.67 0.02 0.00 -0.65 0.00 0.00 35.03 33.38 1ija n LYS 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ija n GLY 116 N 0.81 4.18 0.00 2.58 0.00 -1.26 -4.91 105.19 106.58 1ija n GLY 116 Ca 0.21 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1ija n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ija n LYS 117 N -0.47 0.00 -3.90 1.61 5.02 -1.26 -5.16 118.16 113.99 1ija n LYS 117 Ca 0.27 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.34 1ija n LYS 117 Cb 0.81 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.78 1ija n LYS 117 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1ija s ASP 118 N 1.15 5.26 0.21 4.39 1.47 -1.26 -5.04 116.67 122.84 1ija s ASP 118 Ca 0.00 -0.48 -0.30 0.00 1.18 0.00 0.00 52.55 52.94 1ija s ASP 118 Cb 0.00 -1.02 -0.16 0.00 -0.34 0.00 0.00 42.92 41.41 1ija s ASP 118 CO 0.00 -0.29 0.96 0.29 0.68 0.00 0.00 175.17 176.81 1ija n LYS 119 N -1.31 0.93 -3.75 2.11 4.01 -1.26 -4.83 118.16 114.06 1ija n LYS 119 Ca -0.03 0.33 -0.13 0.00 -0.51 0.00 0.00 58.31 57.97 1ija n LYS 119 Cb 0.60 -1.67 -0.08 0.00 -0.51 0.00 0.00 35.03 33.36 1ija n LYS 119 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 1ija s GLN 120 N -0.94 0.74 -0.23 1.97 -2.07 -1.06 -2.05 119.66 116.01 1ija s GLN 120 Ca 0.66 -0.31 -0.02 0.00 -1.82 0.00 0.00 55.36 53.87 1ija s GLN 120 Cb -0.83 0.33 0.01 0.00 -1.09 0.00 0.00 33.01 31.43 1ija s GLN 120 CO 0.56 -0.22 -0.06 -0.51 -1.32 0.00 0.00 175.29 173.74 1ija s LEU 121 N -1.63 3.01 -0.95 2.60 1.43 -0.97 -1.53 118.68 120.63 1ija s LEU 121 Ca -0.10 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.16 1ija s LEU 121 Cb -0.03 -1.68 0.16 0.00 0.03 0.00 0.00 46.19 44.67 1ija s LEU 121 CO 0.01 -0.08 1.09 -0.89 0.23 0.00 0.00 176.35 176.71 1ija s THR 122 N 1.38 5.03 0.29 5.49 2.01 0.11 -2.74 115.64 127.21 1ija s THR 122 Ca 0.03 -2.02 -0.29 0.00 0.31 0.00 0.00 61.69 59.72 1ija s THR 122 Cb -0.15 -4.72 -0.10 0.00 0.01 0.00 0.00 72.50 67.54 1ija s THR 122 CO -0.05 -1.40 1.29 -0.76 -0.69 0.00 0.00 174.62 173.02 1ija s LEU 123 N 1.76 4.44 0.03 4.42 1.43 -0.87 -2.30 118.68 127.60 1ija s LEU 123 Ca 0.31 2.57 0.01 0.00 -1.03 0.00 0.00 54.13 55.99 1ija s LEU 123 Cb -0.06 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 1ija s LEU 123 CO -0.08 -0.50 -0.05 -0.63 0.23 0.00 0.00 176.35 175.32 1ija s ILE 124 N -0.77 0.32 0.40 -0.59 1.01 -0.25 -1.26 121.20 120.07 1ija s ILE 124 Ca 0.51 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 60.38 1ija s ILE 124 Cb -0.38 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 1ija s ILE 124 CO 0.47 -0.35 0.47 0.42 0.00 0.00 0.00 174.94 175.95 1ija s THR 125 N -1.19 3.05 -0.12 2.92 -4.23 -1.09 -2.25 115.64 112.73 1ija s THR 125 Ca -0.10 -1.15 -0.10 0.00 -1.18 0.00 0.00 61.69 59.15 1ija s THR 125 Cb -0.08 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 70.72 1ija s THR 125 CO -0.00 -0.03 0.31 0.00 -0.54 0.00 0.00 174.62 174.35 1ija n ASP 127 N 3.06 0.00 -3.13 0.00 5.75 -1.26 -2.54 116.55 118.42 1ija n ASP 127 Ca -0.14 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.58 1ija n ASP 127 Cb 0.57 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.69 1ija n ASP 127 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ija n ASP 128 N 0.00 -7.37 -4.70 -1.12 -0.08 -1.26 -4.19 116.55 97.82 1ija n ASP 128 Ca 0.00 -0.31 -0.42 0.00 -1.51 0.00 0.00 54.79 52.55 1ija n ASP 128 Cb 0.00 -5.26 -0.03 0.00 2.34 0.00 0.00 41.12 38.17 1ija n ASP 128 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1ija s TYR 129 N -3.14 2.79 -0.15 -0.67 6.14 -1.26 -2.26 117.35 118.81 1ija s TYR 129 Ca 0.17 0.55 -0.25 0.00 0.64 0.00 0.00 57.07 58.17 1ija s TYR 129 Cb -0.02 -3.90 -0.02 0.00 0.42 0.00 0.00 41.96 38.44 1ija s TYR 129 CO 0.75 -3.42 0.81 1.21 0.64 0.00 0.00 175.55 175.53 1ija s ASN 130 N 1.74 6.97 0.00 4.32 2.47 -0.24 -4.72 114.94 125.48 1ija s ASN 130 Ca 0.71 1.18 0.22 0.00 0.42 0.00 0.00 52.86 55.39 1ija s ASN 130 Cb -0.40 -2.45 0.52 0.00 -1.45 0.00 0.00 41.25 37.46 1ija s ASN 130 CO 0.31 -0.34 1.44 -1.84 -3.72 0.00 0.00 177.10 172.95 1ija n GLU 131 N 4.93 2.37 0.12 0.43 0.28 -1.26 -2.52 120.64 124.98 1ija n GLU 131 Ca 0.03 -2.08 0.12 0.00 -0.16 0.00 0.00 57.16 55.07 1ija n GLU 131 Cb 0.49 -1.49 0.04 0.00 1.43 0.00 0.00 31.44 31.91 1ija n GLU 131 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1ija h LYS 132 N 3.89 0.00 0.00 3.44 1.57 -1.92 -3.38 116.57 120.17 1ija h LYS 132 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ija h LYS 132 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1ija h LYS 132 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13 1ija n THR 133 N -2.72 0.00 -2.88 -0.16 -2.24 -1.26 -5.03 114.28 100.00 1ija n THR 133 Ca 0.01 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.62 1ija n THR 133 Cb 0.54 1.66 0.04 0.00 -2.10 0.00 0.00 70.33 70.47 1ija n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ija n GLY 134 N 0.03 0.16 3.18 3.38 0.00 -1.10 -5.04 105.19 105.80 1ija n GLY 134 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1ija n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ija s VAL 135 N -3.16 0.10 -0.19 1.61 1.01 -1.05 -5.02 120.40 113.70 1ija s VAL 135 Ca 0.16 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 1ija s VAL 135 Cb -0.07 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1ija s VAL 135 CO 0.35 -0.47 1.97 0.26 0.00 0.00 0.00 175.10 177.20 1ija s TRP 136 N -2.45 1.50 0.00 5.22 0.52 -1.26 -1.07 118.94 121.40 1ija s TRP 136 Ca -0.06 0.37 0.00 0.00 0.02 0.00 0.00 56.10 56.43 1ija s TRP 136 Cb -0.02 -4.04 0.00 0.00 -1.15 0.00 0.00 33.47 28.27 1ija s TRP 136 CO -0.03 -3.92 0.33 -1.91 0.02 0.00 0.00 176.95 171.44 1ija n GLU 137 N 8.23 0.00 -4.25 4.98 4.07 -0.96 -4.49 120.64 128.23 1ija n GLU 137 Ca 0.24 0.33 -0.35 0.00 -0.06 0.00 0.00 57.16 57.32 1ija n GLU 137 Cb 0.45 -0.78 -0.09 0.00 -0.06 0.00 0.00 31.44 30.96 1ija n GLU 137 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1ija s LYS 138 N -0.74 3.08 -0.29 5.31 -2.85 -1.26 -4.97 119.74 118.03 1ija s LYS 138 Ca 0.00 -0.35 -0.24 0.00 -1.00 0.00 0.00 55.97 54.38 1ija s LYS 138 Cb 0.00 -2.88 0.14 0.00 -2.06 0.00 0.00 37.83 33.03 1ija s LYS 138 CO 0.00 0.72 1.11 -0.98 0.10 0.00 0.00 175.35 176.30 1ija s ARG 139 N -0.97 0.39 0.29 1.78 1.04 -1.26 -4.40 118.95 115.82 1ija s ARG 139 Ca 0.14 0.49 0.11 0.00 -1.04 0.00 0.00 55.73 55.44 1ija s ARG 139 Cb -0.12 0.18 -0.05 0.00 -2.04 0.00 0.00 34.95 32.93 1ija s ARG 139 CO 0.03 -0.05 -0.16 -1.59 -0.04 0.00 0.00 175.30 173.50 1ija s LYS 140 N 0.31 1.79 0.06 3.89 -2.85 -1.26 -4.96 119.74 116.72 1ija s LYS 140 Ca 0.03 -1.73 -0.00 0.00 -1.00 0.00 0.00 55.97 53.26 1ija s LYS 140 Cb -0.05 -1.82 -0.04 0.00 -2.06 0.00 0.00 37.83 33.86 1ija s LYS 140 CO -0.09 0.31 -0.04 0.96 0.10 0.00 0.00 175.35 176.59 1ija s ILE 141 N -2.49 0.34 0.38 3.79 -4.36 -1.26 -2.68 121.20 114.91 1ija s ILE 141 Ca 0.31 -1.76 0.04 0.00 -0.26 0.00 0.00 60.65 58.97 1ija s ILE 141 Cb -0.04 -1.46 -0.03 0.00 1.25 0.00 0.00 42.46 42.18 1ija s ILE 141 CO 0.16 -0.92 0.16 -0.36 0.24 0.00 0.00 174.94 174.22 1ija s PHE 142 N -3.63 1.75 -0.15 1.37 0.40 -0.39 -0.69 117.98 116.64 1ija s PHE 142 Ca 0.06 -1.36 -0.10 0.00 -0.60 0.00 0.00 56.93 54.93 1ija s PHE 142 Cb 0.06 -1.03 0.05 0.00 0.51 0.00 0.00 43.02 42.60 1ija s PHE 142 CO -0.08 -0.43 0.38 0.08 0.70 0.00 0.00 175.22 175.87 1ija s VAL 143 N -3.32 -0.02 0.30 -0.44 1.01 0.86 -2.04 120.40 116.76 1ija s VAL 143 Ca 0.29 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.37 1ija s VAL 143 Cb 0.03 -0.56 -0.06 0.00 0.00 0.00 0.00 36.38 35.79 1ija s VAL 143 CO 0.17 0.03 0.06 0.00 0.00 0.00 0.00 175.10 175.36 1ija s ALA 144 N 0.95 2.16 0.01 5.51 0.00 -1.11 -2.13 121.76 127.16 1ija s ALA 144 Ca -0.06 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 49.91 1ija s ALA 144 Cb -0.07 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1ija s ALA 144 CO -0.08 -0.34 -0.02 -0.08 0.00 0.00 0.00 175.76 175.24 1ija s THR 145 N -3.42 0.09 0.00 0.00 -1.32 -1.18 -2.29 115.64 107.52 1ija s THR 145 Ca 0.36 -0.67 -0.01 0.00 -1.21 0.00 0.00 61.69 60.16 1ija s THR 145 Cb 0.08 -0.20 -0.06 0.00 -1.51 0.00 0.00 72.50 70.81 1ija s THR 145 CO 0.14 -0.36 1.26 1.21 -2.21 0.00 0.00 174.62 174.66 1ija n GLU 146 N 1.99 0.52 -4.12 7.08 4.07 -0.87 -2.40 120.64 126.92 1ija n GLU 146 Ca -0.21 -0.24 -0.15 0.00 -0.06 0.00 0.00 57.16 56.51 1ija n GLU 146 Cb 0.56 -1.60 -0.05 0.00 -0.06 0.00 0.00 31.44 30.29 1ija n GLU 146 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1ija s VAL 147 N 2.32 0.00 0.00 6.31 1.01 -1.26 -4.97 120.40 123.81 1ija s VAL 147 Ca 0.16 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.47 1ija s VAL 147 Cb 0.08 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1ija s VAL 147 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 175.10 177.39