#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 3.46 -0.31 2.12 -0.21 -1.26 -4.96 119.66 118.51 1ija s GLN 2 Ca 0.00 -0.98 -0.20 0.00 0.02 0.00 0.00 55.36 54.20 1ija s GLN 2 Cb 0.00 -5.25 -0.01 0.00 1.00 0.00 0.00 33.01 28.75 1ija s GLN 2 CO 0.00 -2.32 0.62 0.00 -2.12 0.00 0.00 175.29 171.47 1ija s ALA 3 N 5.53 3.53 -0.40 6.09 0.00 -1.26 -4.98 121.76 130.28 1ija s ALA 3 Ca 0.48 -0.66 -0.40 0.00 0.00 0.00 0.00 51.96 51.38 1ija s ALA 3 Cb -0.01 -3.09 -0.15 0.00 0.00 0.00 0.00 23.12 19.87 1ija s ALA 3 CO -0.07 -1.07 2.09 0.36 0.00 0.00 0.00 175.76 177.07 1ija n LYS 4 N 5.86 0.65 0.00 0.00 2.85 -1.26 -4.92 118.16 121.33 1ija n LYS 4 Ca -0.01 0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 1ija n LYS 4 Cb 0.49 -2.02 0.00 0.00 -0.65 0.00 0.00 35.03 32.85 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 7.38 3.75 -1.86 -1.58 -0.04 -1.26 -4.78 135.00 136.61 1ija n PRO 5 Ca 0.44 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.66 1ija n PRO 5 Cb 0.10 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.51 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 2.21 -0.33 0.54 0.74 -1.26 -4.81 119.66 116.75 1ija s GLN 6 Ca 0.00 0.13 0.01 0.00 0.05 0.00 0.00 55.36 55.55 1ija s GLN 6 Cb 0.00 -4.89 0.14 0.00 1.10 0.00 0.00 33.01 29.36 1ija s GLN 6 CO 0.00 -3.69 0.30 0.42 -0.55 0.00 0.00 175.29 171.77 1ija s ILE 7 N 11.71 -0.25 1.05 -2.34 1.01 -1.26 -4.81 121.20 126.31 1ija s ILE 7 Ca 0.79 -0.92 -0.20 0.00 0.00 0.00 0.00 60.65 60.32 1ija s ILE 7 Cb -0.10 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 1ija s ILE 7 CO 0.05 -0.63 -0.50 -2.65 0.00 0.00 0.00 174.94 171.22 1ija n PRO 8 N 4.67 -0.77 -0.00 2.79 -0.02 -1.26 -4.95 135.00 135.46 1ija n PRO 8 Ca 0.05 -0.21 0.03 0.00 -2.02 0.00 0.00 63.50 61.35 1ija n PRO 8 Cb 0.44 -1.44 -0.04 0.00 -0.02 0.00 0.00 33.50 32.44 1ija n PRO 8 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ija n LYS 9 N -0.16 3.47 -2.43 -0.52 4.76 -1.26 -4.64 118.16 117.37 1ija n LYS 9 Ca 0.00 -0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 1ija n LYS 9 Cb 0.65 -0.91 -0.02 0.00 -1.84 0.00 0.00 35.03 32.90 1ija n LYS 9 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ija s ASP 10 N -1.96 6.30 0.00 4.39 -1.08 -1.26 -4.83 116.67 118.23 1ija s ASP 10 Ca 0.01 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.50 1ija s ASP 10 Cb 0.05 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 1ija s ASP 10 CO 0.27 -1.53 0.72 0.29 0.52 0.00 0.00 175.17 175.44 1ija n LYS 11 N 8.33 0.00 -1.09 4.34 5.02 -1.26 -1.01 118.16 132.50 1ija n LYS 11 Ca 0.13 0.24 -0.17 0.00 -2.02 0.00 0.00 58.31 56.50 1ija n LYS 11 Cb 0.49 -1.53 0.20 0.00 -0.02 0.00 0.00 35.03 34.17 1ija n LYS 11 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ija n SER 12 N -1.22 3.51 -3.78 4.39 7.64 -1.26 -4.86 113.62 118.04 1ija n SER 12 Ca 0.00 -3.61 -0.13 0.00 1.01 0.00 0.00 58.87 56.14 1ija n SER 12 Cb 0.03 -0.77 -0.11 0.00 -1.01 0.00 0.00 64.21 62.34 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 -3.25 0.31 1.11 1.43 1.02 -0.18 -5.15 119.74 115.03 1ija s LYS 13 Ca 0.53 0.34 -0.12 0.00 0.02 0.00 0.00 55.97 56.74 1ija s LYS 13 Cb 0.45 0.15 0.25 0.00 -0.52 0.00 0.00 37.83 38.17 1ija s LYS 13 CO 0.08 -0.04 1.05 0.28 -0.92 0.00 0.00 175.35 175.80 1ija n VAL 14 N 2.89 0.00 0.00 3.17 0.31 -1.26 -4.46 118.33 118.98 1ija n VAL 14 Ca -0.13 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1ija n VAL 14 Cb 0.58 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 1ija n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ija n ALA 15 N -4.80 1.41 -3.00 3.52 0.00 -1.09 -4.73 120.51 111.82 1ija n ALA 15 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ija n ALA 15 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.90 2.39 3.16 0.00 0.00 -1.25 -4.31 105.19 106.09 1ija n GLY 16 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 -6.30 -0.53 -0.00 1.61 1.51 0.29 -2.98 117.35 110.94 1ija s TYR 17 Ca 0.00 1.14 -0.09 0.00 -1.01 0.00 0.00 57.07 57.11 1ija s TYR 17 Cb 0.00 0.16 -0.05 0.00 -0.11 0.00 0.00 41.96 41.96 1ija s TYR 17 CO 0.00 -0.34 0.30 -1.50 -1.11 0.00 0.00 175.55 172.90 1ija s ILE 18 N 1.78 5.23 -0.03 2.71 1.10 -0.63 -0.13 121.20 131.24 1ija s ILE 18 Ca -0.06 0.39 -0.08 0.00 -0.51 0.00 0.00 60.65 60.39 1ija s ILE 18 Cb -0.10 -3.59 0.01 0.00 0.15 0.00 0.00 42.46 38.93 1ija s ILE 18 CO -0.11 0.45 0.18 -1.61 -2.11 0.00 0.00 174.94 171.74 1ija s GLU 19 N -1.49 0.41 -0.15 3.50 2.02 -0.86 -2.47 118.70 119.66 1ija s GLU 19 Ca 0.25 -0.11 -0.09 0.00 0.02 0.00 0.00 54.97 55.05 1ija s GLU 19 Cb -0.14 0.18 0.05 0.00 0.10 0.00 0.00 34.13 34.32 1ija s GLU 19 CO 0.14 -0.09 0.36 0.42 0.02 0.00 0.00 175.26 176.10 1ija s ILE 20 N -0.80 -0.03 -0.10 -1.63 1.01 -0.81 -1.59 121.20 117.26 1ija s ILE 20 Ca -0.09 0.10 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 1ija s ILE 20 Cb -0.05 -0.53 -0.21 0.00 0.01 0.00 0.00 42.46 41.68 1ija s ILE 20 CO 0.01 0.04 0.84 1.55 0.00 0.00 0.00 174.94 177.39 1ija h PRO 21 N 6.93 -0.03 -0.87 2.79 0.13 -1.86 0.37 132.00 139.46 1ija h PRO 21 Ca -0.36 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.02 1ija h PRO 21 Cb 1.18 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1ija h PRO 21 CO 0.32 0.68 0.66 0.22 -0.23 0.00 0.00 178.00 179.65 1ija h ASP 22 N -0.86 0.00 -0.13 1.44 1.82 -1.97 0.62 116.42 117.35 1ija h ASP 22 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ija h ASP 22 Cb 0.73 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1ija h ASP 22 CO 0.01 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.64 1ija n ALA 23 N -2.65 2.38 -4.39 -0.78 0.00 -1.22 -4.73 120.51 109.12 1ija n ALA 23 Ca 0.18 -0.77 -0.39 0.00 0.00 0.00 0.00 53.44 52.46 1ija n ALA 23 Cb 0.97 -0.41 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 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 0.62 -2.14 -4.89 0.00 5.75 0.22 -4.71 116.55 111.39 1ija n ASP 24 Ca 0.08 -1.15 -0.31 0.00 -0.01 0.00 0.00 54.79 53.40 1ija n ASP 24 Cb 0.34 -2.09 -0.05 0.00 -1.03 0.00 0.00 41.12 38.29 1ija n ASP 24 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ija s ILE 25 N -3.37 5.13 -0.41 2.12 1.01 0.44 -4.92 121.20 121.20 1ija s ILE 25 Ca 0.71 0.09 0.01 0.00 0.00 0.00 0.00 60.65 61.46 1ija s ILE 25 Cb -0.41 -3.62 0.19 0.00 0.01 0.00 0.00 42.46 38.63 1ija s ILE 25 CO 0.98 0.02 0.87 -1.59 0.00 0.00 0.00 174.94 175.22 1ija s LYS 26 N -2.70 0.63 0.09 2.79 -2.85 -1.25 -1.92 119.74 114.53 1ija s LYS 26 Ca 0.42 -0.49 0.02 0.00 -1.00 0.00 0.00 55.97 54.92 1ija s LYS 26 Cb -0.12 0.00 -0.04 0.00 -2.06 0.00 0.00 37.83 35.61 1ija s LYS 26 CO 0.24 -0.81 -0.07 -1.21 0.10 0.00 0.00 175.35 173.60 1ija s GLU 27 N 1.28 0.79 0.60 1.78 0.41 -1.03 -4.99 118.70 117.55 1ija s GLU 27 Ca 0.23 -1.25 -0.09 0.00 -0.41 0.00 0.00 54.97 53.45 1ija s GLU 27 Cb 0.03 -0.22 -0.02 0.00 -1.78 0.00 0.00 34.13 32.14 1ija s GLU 27 CO -0.09 -0.01 0.97 -1.25 -0.49 0.00 0.00 175.26 174.39 1ija s PRO 28 N -3.50 3.28 -0.07 0.39 0.04 -1.26 -1.60 135.00 132.28 1ija s PRO 28 Ca 0.09 0.41 0.03 0.00 0.04 0.00 0.00 61.00 61.57 1ija s PRO 28 Cb 0.03 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.41 1ija s PRO 28 CO -0.04 -0.62 -0.15 0.14 0.04 0.00 0.00 177.00 176.36 1ija s VAL 29 N -3.09 1.38 0.30 -0.36 -7.23 -1.16 -3.32 120.40 106.92 1ija s VAL 29 Ca 0.54 -0.63 -0.16 0.00 -1.81 0.00 0.00 61.98 59.92 1ija s VAL 29 Cb -0.11 -1.22 -0.09 0.00 0.56 0.00 0.00 36.38 35.52 1ija s VAL 29 CO 0.50 0.41 0.73 -0.31 -0.31 0.00 0.00 175.10 176.12 1ija s TYR 30 N 0.50 3.43 -1.21 2.82 2.02 -0.81 -2.66 117.35 121.44 1ija s TYR 30 Ca -0.14 1.25 -0.20 0.00 -0.37 0.00 0.00 57.07 57.61 1ija s TYR 30 Cb -0.16 -2.55 0.04 0.00 -0.40 0.00 0.00 41.96 38.89 1ija s TYR 30 CO 0.05 0.14 1.70 -1.25 -1.57 0.00 0.00 175.55 174.63 1ija s PRO 31 N -2.77 3.66 0.09 -1.71 0.04 -1.26 -3.18 135.00 129.87 1ija s PRO 31 Ca 0.52 -1.63 -0.08 0.00 0.04 0.00 0.00 61.00 59.85 1ija s PRO 31 Cb -0.12 -5.44 0.03 0.00 0.04 0.00 0.00 34.50 29.01 1ija s PRO 31 CO 0.18 -2.50 0.39 0.41 0.04 0.00 0.00 177.00 175.52 1ija n GLY 32 N 5.85 1.15 3.66 0.56 0.00 -1.26 -4.65 105.19 110.50 1ija n GLY 32 Ca 0.44 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.02 4.26 -0.77 1.61 0.04 -1.26 -3.28 135.00 133.57 1ija s PRO 33 Ca 0.09 1.17 -0.10 0.00 0.04 0.00 0.00 61.00 62.19 1ija s PRO 33 Cb -0.01 -3.62 -0.24 0.00 0.04 0.00 0.00 34.50 30.67 1ija s PRO 33 CO 0.03 -0.50 1.95 0.00 0.04 0.00 0.00 177.00 178.52 1ija n ALA 34 N 5.85 0.86 -2.65 8.56 0.00 -0.66 -4.85 120.51 127.61 1ija n ALA 34 Ca 0.08 -0.99 -0.29 0.00 0.00 0.00 0.00 53.44 52.24 1ija n ALA 34 Cb 0.47 -2.18 -0.08 0.00 0.00 0.00 0.00 19.45 17.66 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 2.75 3.76 0.13 0.00 -4.23 -1.26 -4.99 115.64 111.79 1ija s THR 35 Ca 0.98 -1.19 -0.13 0.00 -1.18 0.00 0.00 61.69 60.17 1ija s THR 35 Cb -0.55 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 1ija s THR 35 CO 0.37 0.05 1.50 1.55 -0.54 0.00 0.00 174.62 177.55 1ija h PRO 36 N 3.27 0.83 0.00 3.99 0.13 -1.97 0.19 132.00 138.43 1ija h PRO 36 Ca -0.48 -0.37 -0.01 0.00 -0.87 0.00 0.00 66.00 64.28 1ija h PRO 36 Cb 1.18 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ija h PRO 36 CO 0.57 1.00 -0.03 1.05 -0.23 0.00 0.00 178.00 180.37 1ija h GLU 37 N 0.63 0.00 0.00 0.86 4.11 -1.98 -2.46 114.58 115.74 1ija h GLU 37 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 1ija h GLU 37 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1ija h GLU 37 CO 0.06 0.03 -0.78 0.94 0.07 0.00 0.00 179.01 179.33 1ija n GLN 38 N -3.25 0.47 0.32 1.06 7.27 -1.05 -4.23 117.38 117.96 1ija n GLN 38 Ca -0.02 0.30 0.06 0.00 0.07 0.00 0.00 57.00 57.41 1ija n GLN 38 Cb 0.17 -1.45 0.30 0.00 2.41 0.00 0.00 30.24 31.66 1ija n GLN 38 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1ija h LEU 39 N -0.93 0.00 -1.84 1.69 3.38 -0.66 2.26 115.31 119.21 1ija h LEU 39 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ija h LEU 39 Cb 0.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1ija h LEU 39 CO 0.00 0.00 -0.14 0.78 0.09 0.00 0.00 178.44 179.17 1ija h ASN 40 N 0.00 0.00 1.95 -0.43 2.35 -1.61 0.20 115.58 118.03 1ija h ASN 40 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ija h ASN 40 Cb 1.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.82 1ija h ASN 40 CO 0.00 0.14 0.00 0.03 -1.65 0.00 0.00 177.43 175.95 1ija h ARG 41 N 0.00 0.00 0.00 0.81 3.08 0.36 -3.49 114.38 115.14 1ija h ARG 41 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ija h ARG 41 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1ija h ARG 41 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1ija n GLY 42 N 1.11 -0.55 3.96 0.04 0.00 0.69 -5.10 105.19 105.34 1ija n GLY 42 Ca 0.04 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.00 4.25 0.06 1.61 1.01 -1.21 -4.27 120.40 117.86 1ija s VAL 43 Ca 0.00 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 1ija s VAL 43 Cb 0.00 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 32.89 1ija s VAL 43 CO 0.00 -0.35 0.58 -0.55 0.00 0.00 0.00 175.10 174.79 1ija s SER 44 N -4.17 -0.53 1.06 3.32 0.15 -1.08 -1.93 113.70 110.52 1ija s SER 44 Ca 0.46 0.25 -0.11 0.00 0.70 0.00 0.00 55.95 57.25 1ija s SER 44 Cb -0.10 0.54 0.23 0.00 -1.71 0.00 0.00 66.02 64.98 1ija s SER 44 CO 0.36 -0.77 1.08 -0.36 1.20 0.00 0.00 173.24 174.75 1ija s PHE 45 N -2.56 1.40 -0.38 3.44 0.08 -1.19 -2.21 117.98 116.56 1ija s PHE 45 Ca -0.05 1.50 0.25 0.00 0.12 0.00 0.00 56.93 58.75 1ija s PHE 45 Cb -0.01 -3.21 0.62 0.00 -0.57 0.00 0.00 43.02 39.85 1ija s PHE 45 CO -0.02 -3.46 1.71 0.00 -0.10 0.00 0.00 175.22 173.34 1ija h ALA 46 N -2.34 1.00 -2.86 5.36 0.00 0.18 -1.76 119.26 118.84 1ija h ALA 46 Ca -0.53 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 1ija h ALA 46 Cb 1.30 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.89 1ija h ALA 46 CO 0.45 0.00 -0.62 -1.21 0.00 0.00 0.00 179.25 177.87 1ija s GLU 47 N -3.29 0.39 0.30 0.00 2.02 -1.26 -3.54 118.70 113.32 1ija s GLU 47 Ca 0.06 -0.56 -0.00 0.00 0.02 0.00 0.00 54.97 54.49 1ija s GLU 47 Cb 0.07 0.15 0.45 0.00 0.10 0.00 0.00 34.13 34.90 1ija s GLU 47 CO 0.63 -0.08 1.85 1.49 0.02 0.00 0.00 175.26 179.17 1ija h GLU 48 N 4.43 0.78 -0.18 1.61 4.81 -1.87 -2.48 114.58 121.68 1ija h GLU 48 Ca -0.32 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ija h GLU 48 Cb 1.20 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1ija h GLU 48 CO 0.42 0.70 0.00 -1.71 -0.73 0.00 0.00 179.01 177.69 1ija n ASN 49 N -4.29 1.01 -4.76 1.04 2.85 -1.26 -4.50 115.26 105.34 1ija n ASN 49 Ca 0.04 -1.95 -0.41 0.00 -0.11 0.00 0.00 54.58 52.15 1ija n ASN 49 Cb 0.21 -0.12 -0.02 0.00 1.24 0.00 0.00 39.78 41.09 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 -1.76 4.28 0.22 1.20 2.56 -0.94 -4.98 118.70 119.28 1ija s GLU 50 Ca 0.15 2.32 -0.08 0.00 0.00 0.00 0.00 54.97 57.36 1ija s GLU 50 Cb 0.08 -3.06 -0.02 0.00 2.00 0.00 0.00 34.13 33.13 1ija s GLU 50 CO 0.11 -0.33 0.33 0.45 -0.56 0.00 0.00 175.26 175.26 1ija s SER 51 N -0.16 0.01 0.01 -1.70 0.15 -1.26 -4.99 113.70 105.75 1ija s SER 51 Ca 0.53 -1.08 0.18 0.00 0.70 0.00 0.00 55.95 56.28 1ija s SER 51 Cb -0.42 0.50 0.77 0.00 -1.71 0.00 0.00 66.02 65.16 1ija s SER 51 CO 0.52 -1.01 1.58 0.00 1.20 0.00 0.00 173.24 175.53 1ija n LEU 52 N -0.32 0.03 0.05 3.45 -0.00 -1.26 -2.21 117.00 116.74 1ija n LEU 52 Ca -0.01 0.51 -0.06 0.00 -0.00 0.00 0.00 56.01 56.45 1ija n LEU 52 Cb 0.63 -0.50 -0.11 0.00 -0.00 0.00 0.00 43.42 43.45 1ija n LEU 52 CO 0.26 -0.20 0.06 0.44 -0.00 0.00 0.00 177.39 177.94 1ija h ASP 53 N 0.00 0.00 -1.82 1.45 5.19 -1.94 -3.43 116.42 115.87 1ija h ASP 53 Ca 0.00 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.92 1ija h ASP 53 Cb 0.31 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 1ija h ASP 53 CO 0.00 0.93 1.50 -1.81 -3.12 0.00 0.00 179.24 176.75 1ija s ASP 54 N -6.56 4.86 0.39 6.45 1.11 -0.94 -4.75 116.67 117.24 1ija s ASP 54 Ca 0.00 0.81 0.11 0.00 0.18 0.00 0.00 52.55 53.65 1ija s ASP 54 Cb 0.09 -2.51 0.60 0.00 1.07 0.00 0.00 42.92 42.17 1ija s ASP 54 CO 0.81 -2.61 1.22 0.06 1.18 0.00 0.00 175.17 175.84 1ija h GLN 55 N 17.32 0.00 -4.40 8.23 -0.00 -1.88 -3.23 115.11 131.15 1ija h GLN 55 Ca -0.26 0.00 -0.71 0.00 -0.00 0.00 0.00 58.65 57.68 1ija h GLN 55 Cb 1.22 0.00 -0.32 0.00 -0.00 0.00 0.00 27.48 28.38 1ija h GLN 55 CO 1.17 0.00 -0.48 1.21 -0.00 0.00 0.00 178.83 180.73 1ija s ASN 56 N -3.29 5.45 0.11 0.06 2.47 -1.26 -2.18 114.94 116.30 1ija s ASN 56 Ca -0.01 -1.98 -0.06 0.00 0.42 0.00 0.00 52.86 51.23 1ija s ASN 56 Cb 0.03 -1.91 -0.05 0.00 -1.45 0.00 0.00 41.25 37.87 1ija s ASN 56 CO 0.10 -0.61 0.37 -0.63 -3.72 0.00 0.00 177.10 172.61 1ija s ILE 57 N 1.24 5.17 -0.23 -5.21 -1.09 -1.19 -4.95 121.20 114.95 1ija s ILE 57 Ca 0.07 0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 58.58 1ija s ILE 57 Cb -0.24 -3.62 0.10 0.00 -1.58 0.00 0.00 42.46 37.12 1ija s ILE 57 CO -0.03 0.12 0.24 -0.94 -1.23 0.00 0.00 174.94 173.11 1ija s SER 58 N -2.22 1.42 0.35 3.58 1.04 -1.26 -0.54 113.70 116.06 1ija s SER 58 Ca 0.38 -0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.57 1ija s SER 58 Cb -0.13 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1ija s SER 58 CO 0.22 -0.34 0.18 -0.63 0.98 0.00 0.00 173.24 173.65 1ija s ILE 59 N 2.34 3.01 -0.13 -1.02 1.01 -1.07 0.19 121.20 125.53 1ija s ILE 59 Ca 0.08 -1.63 -0.11 0.00 0.00 0.00 0.00 60.65 58.98 1ija s ILE 59 Cb -0.15 -3.01 0.04 0.00 0.01 0.00 0.00 42.46 39.34 1ija s ILE 59 CO -0.17 -0.16 0.34 0.00 0.00 0.00 0.00 174.94 174.96 1ija s ALA 60 N -2.43 -0.85 0.07 9.38 0.00 -0.94 -1.54 121.76 125.45 1ija s ALA 60 Ca 0.39 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 53.28 1ija s ALA 60 Cb -0.02 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 1ija s ALA 60 CO 0.23 -0.17 0.18 0.20 0.00 0.00 0.00 175.76 176.20 1ija s GLY 61 N 0.33 0.08 0.84 0.00 0.00 -1.12 -2.64 107.32 104.80 1ija s GLY 61 Ca -0.01 -0.50 -0.14 0.00 0.00 0.00 0.00 44.72 44.07 1ija s GLY 61 CO -0.01 -0.67 0.85 1.42 0.00 0.00 0.00 173.10 174.69 1ija n HIS 62 N 0.27 -3.76 -2.79 1.90 8.25 -1.26 -1.12 115.22 116.71 1ija n HIS 62 Ca -0.17 -0.77 -0.03 0.00 -0.26 0.00 0.00 57.72 56.50 1ija n HIS 62 Cb 0.61 -0.80 0.01 0.00 1.12 0.00 0.00 29.99 30.93 1ija n HIS 62 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1ija s THR 63 N -2.66 -0.80 -0.21 1.59 -1.32 -1.16 0.19 115.64 111.26 1ija s THR 63 Ca 0.53 -0.69 -0.22 0.00 -1.21 0.00 0.00 61.69 60.10 1ija s THR 63 Cb -0.04 0.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.93 1ija s THR 63 CO 0.39 0.00 0.69 -0.36 -2.21 0.00 0.00 174.62 173.14 1ija s PHE 64 N 1.04 3.35 0.58 9.09 0.08 -1.26 -4.73 117.98 126.13 1ija s PHE 64 Ca 0.27 0.99 0.28 0.00 0.12 0.00 0.00 56.93 58.58 1ija s PHE 64 Cb 0.02 -2.88 1.70 0.00 -0.57 0.00 0.00 43.02 41.29 1ija s PHE 64 CO -0.07 -0.25 2.19 0.82 -0.10 0.00 0.00 175.22 177.81 1ija h ILE 65 N 5.27 0.57 -0.20 0.64 1.08 -1.98 -0.36 117.51 122.53 1ija h ILE 65 Ca -0.29 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1ija h ILE 65 Cb 1.13 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 35.82 1ija h ILE 65 CO 0.80 0.00 0.01 -0.90 -0.69 0.00 0.00 178.15 177.37 1ija n ASP 66 N -3.93 2.64 -2.96 1.72 5.75 -1.26 -4.21 116.55 114.30 1ija n ASP 66 Ca -0.01 -2.33 -0.15 0.00 -0.01 0.00 0.00 54.79 52.29 1ija n ASP 66 Cb 0.17 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1ija n ASP 66 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ija n ARG 67 N 0.20 0.80 0.00 0.11 1.74 -0.15 -4.99 116.66 114.37 1ija n ARG 67 Ca 0.10 -2.49 0.00 0.00 -0.77 0.00 0.00 57.85 54.69 1ija n ARG 67 Cb 0.59 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 1ija n ARG 67 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1ija n PRO 68 N 1.28 0.00 -3.05 5.56 -0.02 -1.26 -2.24 135.00 135.27 1ija n PRO 68 Ca 0.15 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.47 1ija n PRO 68 Cb 0.60 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 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 -0.41 -0.22 -3.66 2.55 0.23 -1.26 -4.73 115.26 107.75 1ija n ASN 69 Ca 0.00 -3.18 -0.08 0.00 -0.53 0.00 0.00 54.58 50.79 1ija n ASN 69 Cb 0.00 0.16 -0.09 0.00 -2.08 0.00 0.00 39.78 37.77 1ija n ASN 69 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1ija s TYR 70 N -1.48 -0.83 0.00 -2.53 5.04 -0.95 -5.06 117.35 111.55 1ija s TYR 70 Ca 0.34 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.55 1ija s TYR 70 Cb 0.31 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.97 1ija s TYR 70 CO -0.08 -0.49 0.00 1.04 -1.34 0.00 0.00 175.55 174.68 1ija n GLN 71 N 5.28 0.00 -0.46 4.97 3.00 -1.26 -1.27 117.38 127.64 1ija n GLN 71 Ca -0.10 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 56.98 1ija n GLN 71 Cb 0.50 0.00 0.31 0.00 0.00 0.00 0.00 30.24 31.05 1ija n GLN 71 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1ija n PHE 72 N 14.00 1.14 0.33 1.08 3.01 0.51 -4.50 117.46 133.03 1ija n PHE 72 Ca 0.00 -0.50 0.07 0.00 1.01 0.00 0.00 57.45 58.04 1ija n PHE 72 Cb 0.00 -0.12 0.39 0.00 -0.01 0.00 0.00 39.48 39.74 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 3.82 0.00 0.00 4.37 2.02 -1.08 -0.06 112.91 121.98 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 1.13 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1ija h THR 73 CO 0.11 0.00 -0.91 0.59 0.37 0.00 0.00 175.52 175.68 1ija n ASN 74 N -2.67 4.56 0.19 4.18 4.13 -1.26 -4.61 115.26 119.77 1ija n ASN 74 Ca -0.01 0.00 0.18 0.00 1.68 0.00 0.00 54.58 56.43 1ija n ASN 74 Cb 0.70 0.83 0.82 0.00 -1.54 0.00 0.00 39.78 40.59 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 -0.19 3.41 6.46 -1.26 1.72 115.31 125.45 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 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 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 -3.72 0.18 0.10 1.25 2.85 -1.15 -2.21 118.16 115.46 1ija n LYS 76 Ca 0.02 0.24 0.12 0.00 -1.05 0.00 0.00 58.31 57.64 1ija n LYS 76 Cb 0.38 -1.75 0.20 0.00 -0.65 0.00 0.00 35.03 33.20 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 2.53 0.72 -1.88 0.58 0.00 0.23 -3.46 119.26 117.98 1ija h ALA 77 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 1ija h ALA 77 Cb 0.57 0.00 0.21 0.00 0.00 0.00 0.00 17.79 18.56 1ija h ALA 77 CO 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 179.25 178.93 1ija n ALA 78 N -1.91 -3.66 -2.83 0.00 0.00 -0.94 -4.94 120.51 106.24 1ija n ALA 78 Ca 0.03 -1.46 -0.10 0.00 0.00 0.00 0.00 53.44 51.91 1ija n ALA 78 Cb 0.47 -1.61 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 1ija n ALA 78 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ija s LYS 79 N -4.29 0.94 -0.81 0.00 1.02 -1.26 -5.02 119.74 110.32 1ija s LYS 79 Ca 0.61 -0.77 -0.19 0.00 0.02 0.00 0.00 55.97 55.64 1ija s LYS 79 Cb -0.16 0.40 -0.19 0.00 -0.52 0.00 0.00 37.83 37.36 1ija s LYS 79 CO 0.58 -0.33 2.12 1.17 -0.92 0.00 0.00 175.35 177.97 1ija n LYS 80 N -0.04 0.26 0.00 1.68 4.81 -1.26 -0.60 118.16 123.01 1ija n LYS 80 Ca -0.16 -0.73 0.00 0.00 -0.87 0.00 0.00 58.31 56.55 1ija n LYS 80 Cb 0.63 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.88 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 6.09 0.33 3.67 3.14 0.00 -1.14 -4.95 105.19 112.31 1ija n GLY 81 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 1ija n GLY 81 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ija s SER 82 N 0.00 6.66 1.05 1.61 0.15 0.23 -4.69 113.70 118.70 1ija s SER 82 Ca 0.00 2.29 -0.14 0.00 0.70 0.00 0.00 55.95 58.80 1ija s SER 82 Cb 0.00 -2.54 0.20 0.00 -1.71 0.00 0.00 66.02 61.97 1ija s SER 82 CO 0.00 -0.91 1.02 0.23 1.20 0.00 0.00 173.24 174.77 1ija n MET 83 N 6.80 -1.44 -3.90 5.44 0.00 -1.26 -3.14 117.12 119.62 1ija n MET 83 Ca 0.17 -1.58 -0.09 0.00 0.00 0.00 0.00 57.70 56.20 1ija n MET 83 Cb 0.42 -1.15 -0.08 0.00 0.00 0.00 0.00 33.22 32.42 1ija n MET 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1ija s VAL 84 N -3.15 0.15 -0.27 2.03 1.01 -1.03 -4.58 120.40 114.57 1ija s VAL 84 Ca 0.59 -1.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1ija s VAL 84 Cb -0.03 -1.33 0.11 0.00 0.00 0.00 0.00 36.38 35.14 1ija s VAL 84 CO 0.43 -0.70 0.22 -0.31 0.00 0.00 0.00 175.10 174.73 1ija s TYR 85 N -3.75 -0.15 -0.37 5.22 1.51 -0.62 -2.77 117.35 116.42 1ija s TYR 85 Ca 0.04 -0.33 -0.17 0.00 -1.01 0.00 0.00 57.07 55.60 1ija s TYR 85 Cb 0.05 -0.59 0.00 0.00 -0.11 0.00 0.00 41.96 41.31 1ija s TYR 85 CO -0.10 -0.81 0.47 0.12 -1.11 0.00 0.00 175.55 174.12 1ija s PHE 86 N 2.26 3.17 -0.12 2.71 5.36 0.53 -2.02 117.98 129.88 1ija s PHE 86 Ca 0.08 -0.01 -0.06 0.00 -0.96 0.00 0.00 56.93 55.98 1ija s PHE 86 Cb -0.15 -2.90 -0.04 0.00 -0.34 0.00 0.00 43.02 39.59 1ija s PHE 86 CO -0.29 -0.58 0.10 0.21 -1.46 0.00 0.00 175.22 173.20 1ija s LYS 87 N 2.29 3.37 -0.19 10.12 2.20 0.81 -1.97 119.74 136.37 1ija s LYS 87 Ca 0.16 -0.22 -0.27 0.00 -0.36 0.00 0.00 55.97 55.28 1ija s LYS 87 Cb -0.16 -3.09 0.08 0.00 -1.51 0.00 0.00 37.83 33.15 1ija s LYS 87 CO 0.13 0.72 0.79 0.54 -0.36 0.00 0.00 175.35 177.17 1ija s VAL 88 N -0.87 0.00 0.00 4.02 0.11 -1.03 0.10 120.40 122.74 1ija s VAL 88 Ca 0.14 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1ija s VAL 88 Cb -0.12 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1ija s VAL 88 CO 0.03 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 1ija n GLY 89 N 1.84 0.91 2.53 6.54 0.00 -1.26 -2.36 105.19 113.39 1ija n GLY 89 Ca -0.15 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 1ija n GLY 89 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ija n ASN 90 N -3.50 7.80 -3.59 1.61 2.04 -1.26 -4.90 115.26 113.46 1ija n ASN 90 Ca 0.00 -3.30 -0.06 0.00 -0.44 0.00 0.00 54.58 50.78 1ija n ASN 90 Cb 0.00 -1.30 -0.02 0.00 -2.53 0.00 0.00 39.78 35.93 1ija n ASN 90 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 1ija s GLU 91 N -2.06 0.84 0.02 -3.83 2.56 -0.99 -5.18 118.70 110.06 1ija s GLU 91 Ca 0.50 -0.38 -0.07 0.00 0.00 0.00 0.00 54.97 55.03 1ija s GLU 91 Cb 0.20 0.35 -0.00 0.00 2.00 0.00 0.00 34.13 36.68 1ija s GLU 91 CO -0.12 -0.38 0.14 0.99 -0.56 0.00 0.00 175.26 175.34 1ija s THR 92 N -3.05 0.10 0.06 -1.70 2.01 -1.26 -2.45 115.64 109.34 1ija s THR 92 Ca 0.08 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.24 1ija s THR 92 Cb -0.01 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 1ija s THR 92 CO -0.05 -0.45 0.02 0.00 -0.69 0.00 0.00 174.62 173.45 1ija s ARG 93 N -1.84 0.64 0.14 4.92 3.03 -0.83 -5.00 118.95 120.01 1ija s ARG 93 Ca -0.11 -1.13 -0.04 0.00 2.03 0.00 0.00 55.73 56.48 1ija s ARG 93 Cb -0.05 0.23 -0.03 0.00 -1.03 0.00 0.00 34.95 34.07 1ija s ARG 93 CO -0.01 -0.14 0.14 -1.59 -1.13 0.00 0.00 175.30 172.58 1ija s LYS 94 N -3.75 0.99 0.16 3.89 -2.85 -1.26 -0.35 119.74 116.57 1ija s LYS 94 Ca 0.05 -1.31 0.03 0.00 -1.00 0.00 0.00 55.97 53.74 1ija s LYS 94 Cb 0.06 0.29 -0.01 0.00 -2.06 0.00 0.00 37.83 36.12 1ija s LYS 94 CO -0.10 -0.31 0.15 0.66 0.10 0.00 0.00 175.35 175.85 1ija n TYR 95 N -0.13 -0.46 -3.62 1.78 4.02 -1.11 -4.50 117.16 113.14 1ija n TYR 95 Ca -0.07 -1.30 -0.21 0.00 -0.01 0.00 0.00 57.90 56.31 1ija n TYR 95 Cb 0.63 0.16 -0.16 0.00 -0.02 0.00 0.00 39.34 39.95 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 -2.60 0.05 -0.37 -0.72 2.20 -0.60 -2.46 119.74 115.24 1ija s LYS 96 Ca 0.18 0.26 -0.37 0.00 -0.36 0.00 0.00 55.97 55.68 1ija s LYS 96 Cb 0.01 -0.98 -0.12 0.00 -1.51 0.00 0.00 37.83 35.22 1ija s LYS 96 CO 0.13 -0.49 2.18 -1.33 -0.36 0.00 0.00 175.35 175.48 1ija n MET 97 N 5.30 0.92 -0.56 4.03 2.81 -1.19 -3.06 117.12 125.38 1ija n MET 97 Ca -0.05 0.25 0.01 0.00 -1.81 0.00 0.00 57.70 56.09 1ija n MET 97 Cb 0.50 -2.32 0.01 0.00 -0.71 0.00 0.00 33.22 30.69 1ija n MET 97 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ija n THR 98 N 7.08 0.05 -3.50 2.03 -2.24 -1.22 -2.89 114.28 113.59 1ija n THR 98 Ca 0.43 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 1ija n THR 98 Cb 0.19 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 1ija n THR 98 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ija s SER 99 N -1.12 -0.62 -0.05 3.42 0.15 -1.08 -4.99 113.70 109.41 1ija s SER 99 Ca 0.03 0.89 -0.00 0.00 0.70 0.00 0.00 55.95 57.57 1ija s SER 99 Cb 0.03 1.59 0.03 0.00 -1.71 0.00 0.00 66.02 65.96 1ija s SER 99 CO -0.01 -0.13 -0.01 -0.63 1.20 0.00 0.00 173.24 173.66 1ija s ILE 100 N 2.18 0.34 0.00 6.45 1.01 -1.26 -0.23 121.20 129.69 1ija s ILE 100 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1ija s ILE 100 Cb -0.06 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.96 1ija s ILE 100 CO -0.17 0.22 0.03 0.54 0.00 0.00 0.00 174.94 175.55 1ija n ARG 101 N 4.62 0.00 -0.86 2.79 5.12 -1.02 -4.81 116.66 122.50 1ija n ARG 101 Ca -0.16 0.41 -0.04 0.00 -1.93 0.00 0.00 57.85 56.12 1ija n ARG 101 Cb 0.50 -0.92 -0.02 0.00 -1.16 0.00 0.00 32.46 30.86 1ija n ARG 101 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1ija n ASP 102 N -1.73 -3.22 -4.80 0.55 9.92 -0.87 -4.87 116.55 111.53 1ija n ASP 102 Ca 0.00 0.11 -0.34 0.00 -0.53 0.00 0.00 54.79 54.03 1ija n ASP 102 Cb 0.00 -2.46 -0.03 0.00 -0.64 0.00 0.00 41.12 37.99 1ija n ASP 102 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ija s VAL 103 N -1.11 3.75 0.02 2.53 1.01 -1.26 -4.97 120.40 120.37 1ija s VAL 103 Ca 0.00 1.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.90 1ija s VAL 103 Cb 0.00 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 1ija s VAL 103 CO 0.00 -0.25 1.06 0.50 0.00 0.00 0.00 175.10 176.41 1ija h LYS 104 N 1.46 -0.54 -2.00 2.72 3.64 -1.99 -2.86 116.57 116.99 1ija h LYS 104 Ca -0.49 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1ija h LYS 104 Cb 1.22 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1ija h LYS 104 CO 0.59 -0.36 0.00 -0.35 -2.27 0.00 0.00 179.45 177.06 1ija n PRO 105 N -3.76 0.17 -1.52 1.90 -0.04 -1.26 -4.79 135.00 125.69 1ija n PRO 105 Ca -0.07 -0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.13 1ija n PRO 105 Cb 0.22 -1.42 -0.14 0.00 -0.04 0.00 0.00 33.50 32.13 1ija n PRO 105 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ija n THR 106 N 1.92 -0.01 0.00 0.52 5.66 -1.08 -3.18 114.28 118.10 1ija n THR 106 Ca 0.00 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 1ija n THR 106 Cb 0.09 -1.08 0.00 0.00 -1.55 0.00 0.00 70.33 67.79 1ija n THR 106 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1ija n ASP 107 N 11.72 0.00 -0.34 1.09 5.68 -1.26 -4.89 116.55 128.55 1ija n ASP 107 Ca 0.57 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.86 1ija n ASP 107 Cb 0.26 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1ija n ASP 107 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1ija n VAL 108 N 0.00 0.00 0.00 2.12 0.24 -1.19 -4.19 118.33 115.31 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 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 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 0.17 0.11 0.22 7.63 0.00 -1.26 -5.02 105.19 107.03 1ija n GLY 109 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1ija n GLY 109 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ija h VAL 110 N 0.00 1.30 -2.17 1.61 -1.51 -1.91 -3.36 116.25 110.21 1ija h VAL 110 Ca 0.00 -1.53 -0.57 0.00 -1.23 0.00 0.00 66.70 63.37 1ija h VAL 110 Cb 0.00 1.56 -0.39 0.00 -2.13 0.00 0.00 31.29 30.33 1ija h VAL 110 CO 0.00 0.48 -1.03 0.18 -1.23 0.00 0.00 177.57 175.96 1ija n LEU 111 N -4.04 0.03 0.00 4.19 4.77 -1.26 -5.04 117.00 115.66 1ija n LEU 111 Ca -0.01 -4.59 0.00 0.00 -0.03 0.00 0.00 56.01 51.38 1ija n LEU 111 Cb 0.50 0.55 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 1ija n LEU 111 CO 0.44 1.98 0.00 -0.67 -1.33 0.00 0.00 177.39 177.81 1ija n ASP 112 N 1.99 0.00 -3.11 -1.43 2.03 -1.26 -5.14 116.55 109.64 1ija n ASP 112 Ca 0.25 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.40 1ija n ASP 112 Cb 0.50 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 41.01 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 -0.61 -2.17 -0.67 0.28 -1.26 -4.93 120.64 111.28 1ija n GLU 113 Ca 0.00 -1.20 -0.41 0.00 -0.16 0.00 0.00 57.16 55.39 1ija n GLU 113 Cb 0.00 -0.72 0.00 0.00 1.43 0.00 0.00 31.44 32.15 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 -2.51 4.36 -0.24 3.44 1.13 -1.26 -4.78 117.38 117.52 1ija n GLN 114 Ca 0.09 -3.60 -0.03 0.00 -1.94 0.00 0.00 57.00 51.52 1ija n GLN 114 Cb 0.32 -2.70 0.03 0.00 0.11 0.00 0.00 30.24 28.00 1ija n GLN 114 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1ija h LYS 115 N 4.94 -0.10 -6.13 -1.09 1.79 -1.92 -3.34 116.57 110.73 1ija h LYS 115 Ca 0.58 0.01 -0.57 0.00 -2.18 0.00 0.00 60.65 58.49 1ija h LYS 115 Cb 0.41 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1ija h LYS 115 CO 1.50 -0.07 1.39 0.20 -1.08 0.00 0.00 179.45 181.39 1ija s GLY 116 N -3.33 0.85 0.00 3.86 0.00 -1.26 -4.77 107.32 102.67 1ija s GLY 116 Ca -0.14 0.92 0.30 0.00 0.00 0.00 0.00 44.72 45.80 1ija s GLY 116 CO 0.71 3.65 2.02 0.58 0.00 0.00 0.00 173.10 180.06 1ija n LYS 117 N 8.32 0.35 -5.22 2.90 2.85 -1.26 -4.70 118.16 121.40 1ija n LYS 117 Ca 0.26 -0.01 -0.32 0.00 -1.05 0.00 0.00 58.31 57.20 1ija n LYS 117 Cb 0.44 -1.50 -0.16 0.00 -0.65 0.00 0.00 35.03 33.16 1ija n LYS 117 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ija s ASP 118 N -2.66 3.20 -0.23 -5.58 1.01 -1.26 -4.98 116.67 106.17 1ija s ASP 118 Ca 0.25 -0.46 -0.02 0.00 0.71 0.00 0.00 52.55 53.03 1ija s ASP 118 Cb 0.20 -0.72 -0.08 0.00 1.01 0.00 0.00 42.92 43.33 1ija s ASP 118 CO 0.48 0.27 0.57 0.29 0.21 0.00 0.00 175.17 176.99 1ija n LYS 119 N 2.75 0.00 -2.77 8.23 4.01 -1.26 -4.68 118.16 124.43 1ija n LYS 119 Ca -0.17 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.37 1ija n LYS 119 Cb 0.52 -0.30 0.00 0.00 -0.51 0.00 0.00 35.03 34.74 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 1.98 3.39 -0.21 1.97 -2.07 -0.93 -2.10 119.66 121.69 1ija s GLN 120 Ca 0.31 0.00 -0.02 0.00 -1.82 0.00 0.00 55.36 53.83 1ija s GLN 120 Cb -0.20 -2.43 0.06 0.00 -1.09 0.00 0.00 33.01 29.35 1ija s GLN 120 CO 0.13 -0.22 0.03 -1.17 -1.32 0.00 0.00 175.29 172.75 1ija s LEU 121 N -4.68 1.43 -0.82 2.60 2.96 -0.16 -3.15 118.68 116.85 1ija s LEU 121 Ca 0.47 -0.94 -0.17 0.00 -0.22 0.00 0.00 54.13 53.27 1ija s LEU 121 Cb -0.10 -0.69 0.16 0.00 0.50 0.00 0.00 46.19 46.06 1ija s LEU 121 CO 0.43 -0.31 0.91 -0.89 -1.32 0.00 0.00 176.35 175.17 1ija s THR 122 N 1.78 5.05 0.44 3.68 2.01 0.30 -1.37 115.64 127.54 1ija s THR 122 Ca -0.01 -1.76 -0.22 0.00 0.31 0.00 0.00 61.69 60.01 1ija s THR 122 Cb -0.17 -4.61 -0.09 0.00 0.01 0.00 0.00 72.50 67.64 1ija s THR 122 CO -0.10 -1.26 1.05 -0.76 -0.69 0.00 0.00 174.62 172.86 1ija s LEU 123 N 1.81 3.99 0.01 4.42 1.43 -0.57 -2.61 118.68 127.16 1ija s LEU 123 Ca 0.23 1.99 0.01 0.00 -1.03 0.00 0.00 54.13 55.32 1ija s LEU 123 Cb -0.11 -4.37 -0.01 0.00 0.03 0.00 0.00 46.19 41.73 1ija s LEU 123 CO -0.06 -0.65 -0.03 -0.63 0.23 0.00 0.00 176.35 175.22 1ija s ILE 124 N -1.82 0.17 0.18 -0.59 1.01 -0.59 -1.88 121.20 117.68 1ija s ILE 124 Ca 0.63 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.97 1ija s ILE 124 Cb -0.19 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 1ija s ILE 124 CO 0.24 -0.13 0.15 0.42 0.00 0.00 0.00 174.94 175.62 1ija s THR 125 N -0.50 4.51 0.05 2.92 -4.23 -1.18 -2.80 115.64 114.41 1ija s THR 125 Ca -0.04 -1.11 -0.08 0.00 -1.18 0.00 0.00 61.69 59.27 1ija s THR 125 Cb -0.04 -3.32 -0.00 0.00 1.34 0.00 0.00 72.50 70.48 1ija s THR 125 CO -0.00 -0.14 0.16 0.00 -0.54 0.00 0.00 174.62 174.10 1ija n ASP 127 N 0.55 0.00 -3.32 0.00 5.68 -1.26 -3.00 116.55 115.20 1ija n ASP 127 Ca -0.18 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 53.96 1ija n ASP 127 Cb 0.59 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.62 1ija n ASP 127 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ija n ASP 128 N 0.00 -6.60 -4.66 -1.12 9.92 -1.26 -4.04 116.55 108.79 1ija n ASP 128 Ca 0.00 -0.62 -0.42 0.00 -0.53 0.00 0.00 54.79 53.22 1ija n ASP 128 Cb 0.00 -4.68 -0.03 0.00 -0.64 0.00 0.00 41.12 35.77 1ija n ASP 128 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1ija s TYR 129 N -3.28 1.52 -0.43 1.24 6.14 -1.26 -2.94 117.35 118.33 1ija s TYR 129 Ca 0.32 -0.28 -0.25 0.00 0.64 0.00 0.00 57.07 57.50 1ija s TYR 129 Cb -0.06 -4.17 0.02 0.00 0.42 0.00 0.00 41.96 38.17 1ija s TYR 129 CO 0.78 -5.14 0.91 1.21 0.64 0.00 0.00 175.55 173.95 1ija s ASN 130 N 4.03 6.54 0.00 4.32 2.47 -0.88 -4.81 114.94 126.61 1ija s ASN 130 Ca 0.84 0.24 0.14 0.00 0.42 0.00 0.00 52.86 54.51 1ija s ASN 130 Cb -0.41 -2.45 0.86 0.00 -1.45 0.00 0.00 41.25 37.80 1ija s ASN 130 CO 0.39 -0.98 1.46 -1.84 -3.72 0.00 0.00 177.10 172.41 1ija n GLU 131 N 7.00 0.87 -0.05 0.43 0.28 -1.26 -1.95 120.64 125.95 1ija n GLU 131 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.97 1ija n GLU 131 Cb 0.48 -1.26 -0.08 0.00 1.43 0.00 0.00 31.44 32.01 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 0.00 -0.02 -0.00 3.44 1.57 -1.93 -3.35 116.57 116.28 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 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ija h LYS 132 CO 0.00 0.59 -0.67 0.25 -0.57 0.00 0.00 179.45 179.04 1ija n THR 133 N -4.70 0.00 -2.80 -0.16 -2.24 -1.23 -4.96 114.28 98.19 1ija n THR 133 Ca -0.06 -0.07 -0.07 0.00 -2.27 0.00 0.00 64.05 61.57 1ija n THR 133 Cb 0.29 0.81 0.03 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.46 0.44 3.18 3.38 0.00 -0.82 -5.05 105.19 107.78 1ija n GLY 134 Ca 0.07 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.10 0.11 -0.18 1.61 1.01 -1.11 -5.03 120.40 113.72 1ija s VAL 135 Ca 0.16 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1ija s VAL 135 Cb -0.07 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1ija s VAL 135 CO 0.23 -0.52 2.07 0.26 0.00 0.00 0.00 175.10 177.14 1ija s TRP 136 N -2.75 1.34 0.00 5.22 0.52 -1.26 -2.07 118.94 119.94 1ija s TRP 136 Ca -0.04 0.34 0.00 0.00 0.02 0.00 0.00 56.10 56.42 1ija s TRP 136 Cb -0.00 -4.02 0.00 0.00 -1.15 0.00 0.00 33.47 28.30 1ija s TRP 136 CO -0.05 -4.18 0.51 -1.91 0.02 0.00 0.00 176.95 171.34 1ija n GLU 137 N 8.37 0.00 -3.29 4.98 2.13 -1.15 -4.25 120.64 127.43 1ija n GLU 137 Ca 0.26 0.51 -0.39 0.00 0.66 0.00 0.00 57.16 58.20 1ija n GLU 137 Cb 0.44 -0.96 -0.06 0.00 0.27 0.00 0.00 31.44 31.13 1ija n GLU 137 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ija s LYS 138 N -1.25 4.20 -0.26 5.31 1.02 -1.26 -5.01 119.74 122.50 1ija s LYS 138 Ca 0.00 0.67 -0.02 0.00 0.02 0.00 0.00 55.97 56.64 1ija s LYS 138 Cb 0.00 -3.28 0.15 0.00 -0.52 0.00 0.00 37.83 34.18 1ija s LYS 138 CO 0.00 0.54 0.41 0.50 -0.92 0.00 0.00 175.35 175.88 1ija s ARG 139 N -0.73 0.39 -0.12 1.68 3.52 -1.26 -4.38 118.95 118.05 1ija s ARG 139 Ca 0.29 0.52 -0.02 0.00 -0.13 0.00 0.00 55.73 56.39 1ija s ARG 139 Cb -0.18 -0.32 -0.03 0.00 -1.56 0.00 0.00 34.95 32.86 1ija s ARG 139 CO 0.17 -0.71 -0.05 0.15 -0.81 0.00 0.00 175.30 174.05 1ija s LYS 140 N 2.59 3.31 -0.18 5.12 1.02 -1.26 -5.00 119.74 125.33 1ija s LYS 140 Ca 0.13 -0.54 -0.07 0.00 0.02 0.00 0.00 55.97 55.52 1ija s LYS 140 Cb -0.15 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 1ija s LYS 140 CO -0.19 0.40 0.04 0.42 -0.92 0.00 0.00 175.35 175.11 1ija s ILE 141 N -0.10 4.60 0.28 2.17 -1.09 -1.26 -3.10 121.20 122.70 1ija s ILE 141 Ca 0.02 -0.10 0.11 0.00 -2.23 0.00 0.00 60.65 58.44 1ija s ILE 141 Cb -0.13 -3.07 -0.05 0.00 -1.58 0.00 0.00 42.46 37.63 1ija s ILE 141 CO 0.03 0.46 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.71 1ija s PHE 142 N 0.42 2.44 -0.00 3.97 0.40 -0.79 -2.05 117.98 122.37 1ija s PHE 142 Ca 0.02 -0.29 -0.09 0.00 -0.60 0.00 0.00 56.93 55.97 1ija s PHE 142 Cb -0.13 -1.07 0.01 0.00 0.51 0.00 0.00 43.02 42.34 1ija s PHE 142 CO 0.01 0.68 0.17 0.08 0.70 0.00 0.00 175.22 176.86 1ija s VAL 143 N -2.44 0.08 0.35 -0.44 1.01 0.68 -1.51 120.40 118.12 1ija s VAL 143 Ca 0.31 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1ija s VAL 143 Cb -0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 1ija s VAL 143 CO 0.17 -0.35 0.43 0.00 0.00 0.00 0.00 175.10 175.35 1ija s ALA 144 N -1.35 1.12 0.06 5.51 0.00 -0.47 -2.63 121.76 124.00 1ija s ALA 144 Ca -0.14 -1.71 -0.27 0.00 0.00 0.00 0.00 51.96 49.85 1ija s ALA 144 Cb -0.07 1.25 0.08 0.00 0.00 0.00 0.00 23.12 24.37 1ija s ALA 144 CO 0.02 -0.76 0.68 -0.08 0.00 0.00 0.00 175.76 175.63 1ija s THR 145 N -3.09 0.00 0.29 0.00 -1.32 -1.17 -0.99 115.64 109.36 1ija s THR 145 Ca 0.34 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.52 1ija s THR 145 Cb 0.00 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.88 1ija s THR 145 CO 0.23 0.00 1.61 -0.70 -2.21 0.00 0.00 174.62 173.55 1ija s GLU 146 N -2.74 4.11 0.15 7.08 2.12 -0.89 -1.56 118.70 126.97 1ija s GLU 146 Ca -0.02 2.60 0.23 0.00 0.36 0.00 0.00 54.97 58.13 1ija s GLU 146 Cb -0.01 -3.02 0.04 0.00 0.26 0.00 0.00 34.13 31.41 1ija s GLU 146 CO -0.05 -0.65 1.05 0.28 -0.54 0.00 0.00 175.26 175.36 1ija n VAL 147 N 2.20 0.47 1.79 3.70 0.31 -1.26 -4.91 118.33 120.62 1ija n VAL 147 Ca 0.08 -0.45 0.14 0.00 -0.01 0.00 0.00 64.34 64.10 1ija n VAL 147 Cb 0.37 -0.20 0.85 0.00 -0.91 0.00 0.00 33.84 33.95 1ija n VAL 147 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80