#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 3.01 -1.48 0.03 -0.21 -1.26 -4.85 119.66 114.90 1ija s GLN 2 Ca 0.00 -0.56 -0.09 0.00 0.02 0.00 0.00 55.36 54.73 1ija s GLN 2 Cb 0.00 -5.09 -0.08 0.00 1.00 0.00 0.00 33.01 28.84 1ija s GLN 2 CO 0.00 -2.80 2.79 0.00 -2.12 0.00 0.00 175.29 173.16 1ija n ALA 3 N 11.60 6.98 -3.14 6.09 0.00 -1.26 -4.54 120.51 136.24 1ija n ALA 3 Ca 0.34 -3.21 -0.19 0.00 0.00 0.00 0.00 53.44 50.37 1ija n ALA 3 Cb 0.49 -3.30 -0.05 0.00 0.00 0.00 0.00 19.45 16.58 1ija n ALA 3 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ija n LYS 4 N 3.73 0.42 0.00 0.00 5.02 -1.26 -4.84 118.16 121.23 1ija n LYS 4 Ca 0.72 -2.77 0.00 0.00 -2.02 0.00 0.00 58.31 54.24 1ija n LYS 4 Cb 0.21 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1ija n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1ija n PRO 5 N 2.50 3.23 -1.93 1.97 -0.02 -1.26 -4.50 135.00 134.99 1ija n PRO 5 Ca 0.23 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.45 1ija n PRO 5 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.95 1ija n PRO 5 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ija s GLN 6 N 0.00 2.35 -0.33 -0.52 2.00 -1.26 -4.82 119.66 117.08 1ija s GLN 6 Ca 0.00 0.07 0.02 0.00 -2.00 0.00 0.00 55.36 53.45 1ija s GLN 6 Cb 0.00 -4.89 0.15 0.00 0.80 0.00 0.00 33.01 29.07 1ija s GLN 6 CO 0.00 -3.51 0.37 0.42 -0.50 0.00 0.00 175.29 172.08 1ija s ILE 7 N 11.01 -0.46 0.05 -2.34 1.01 -1.26 -4.92 121.20 124.28 1ija s ILE 7 Ca 0.76 -0.62 -0.26 0.00 0.00 0.00 0.00 60.65 60.52 1ija s ILE 7 Cb -0.09 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 1ija s ILE 7 CO 0.05 -0.45 0.81 -2.16 0.00 0.00 0.00 174.94 173.20 1ija s PRO 8 N 2.00 4.54 0.00 2.79 0.04 -1.26 -4.90 135.00 138.21 1ija s PRO 8 Ca 0.13 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1ija s PRO 8 Cb -0.14 -3.37 0.02 0.00 0.04 0.00 0.00 34.50 31.05 1ija s PRO 8 CO -0.19 0.24 0.48 0.36 0.04 0.00 0.00 177.00 177.93 1ija n LYS 9 N 2.89 0.01 -2.38 4.56 2.85 -1.26 -4.38 118.16 120.44 1ija n LYS 9 Ca -0.01 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.88 1ija n LYS 9 Cb 0.50 -1.46 -0.04 0.00 -0.65 0.00 0.00 35.03 33.38 1ija n LYS 9 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1ija s ASP 10 N -2.00 6.01 0.00 -5.58 -1.08 -1.26 -4.82 116.67 107.95 1ija s ASP 10 Ca 0.00 -1.07 0.00 0.00 -0.52 0.00 0.00 52.55 50.97 1ija s ASP 10 Cb 0.00 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1ija s ASP 10 CO 0.00 -1.94 0.45 0.29 0.52 0.00 0.00 175.17 174.48 1ija n LYS 11 N 8.93 0.24 -0.94 4.34 5.02 -1.26 -2.29 118.16 132.20 1ija n LYS 11 Ca 0.32 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1ija n LYS 11 Cb 0.50 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 34.12 1ija n LYS 11 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ija n SER 12 N 1.75 0.16 -3.87 4.39 2.88 -1.26 -4.97 113.62 112.71 1ija n SER 12 Ca 0.00 -1.84 -0.12 0.00 -1.33 0.00 0.00 58.87 55.59 1ija n SER 12 Cb 0.12 -0.11 -0.13 0.00 -0.75 0.00 0.00 64.21 63.34 1ija n SER 12 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ija s LYS 13 N 0.00 0.13 -0.01 -1.46 1.02 -0.97 -5.11 119.74 113.34 1ija s LYS 13 Ca 0.12 -0.03 -0.30 0.00 0.02 0.00 0.00 55.97 55.77 1ija s LYS 13 Cb 0.13 0.05 -0.09 0.00 -0.52 0.00 0.00 37.83 37.41 1ija s LYS 13 CO -0.06 -0.02 2.01 0.28 -0.92 0.00 0.00 175.35 176.64 1ija n VAL 14 N 2.76 0.70 0.33 3.17 0.31 -1.26 -4.66 118.33 119.67 1ija n VAL 14 Ca -0.14 -0.19 0.11 0.00 -0.01 0.00 0.00 64.34 64.11 1ija n VAL 14 Cb 0.59 -2.34 -0.11 0.00 -0.91 0.00 0.00 33.84 31.08 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 8.16 3.31 -3.66 3.52 0.00 -1.14 -4.99 120.51 125.71 1ija n ALA 15 Ca 0.22 -0.49 0.05 0.00 0.00 0.00 0.00 53.44 53.22 1ija n ALA 15 Cb 0.41 -0.83 0.02 0.00 0.00 0.00 0.00 19.45 19.05 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 1.33 0.85 3.10 0.00 0.00 -1.24 -4.57 105.19 104.66 1ija n GLY 16 Ca -0.01 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.19 -0.54 -0.08 1.61 2.02 0.28 -2.86 117.35 114.59 1ija s TYR 17 Ca 0.16 1.14 -0.06 0.00 -0.37 0.00 0.00 57.07 57.95 1ija s TYR 17 Cb -0.02 0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.58 1ija s TYR 17 CO 0.05 -0.38 0.16 -1.50 -1.57 0.00 0.00 175.55 172.31 1ija s ILE 18 N 2.33 5.48 -0.10 2.71 2.07 -0.67 -0.80 121.20 132.22 1ija s ILE 18 Ca -0.01 0.10 -0.07 0.00 -1.41 0.00 0.00 60.65 59.26 1ija s ILE 18 Cb -0.12 -3.45 0.03 0.00 0.13 0.00 0.00 42.46 39.06 1ija s ILE 18 CO -0.10 0.52 0.25 -1.61 -1.91 0.00 0.00 174.94 172.09 1ija s GLU 19 N -1.33 0.25 -0.09 3.50 2.02 -0.93 -2.48 118.70 119.64 1ija s GLU 19 Ca 0.19 0.44 -0.04 0.00 0.02 0.00 0.00 54.97 55.58 1ija s GLU 19 Cb -0.12 0.02 0.05 0.00 0.10 0.00 0.00 34.13 34.17 1ija s GLU 19 CO 0.09 -0.10 0.19 0.42 0.02 0.00 0.00 175.26 175.89 1ija s ILE 20 N 0.67 -0.13 0.03 -1.63 1.01 -0.92 -1.83 121.20 118.40 1ija s ILE 20 Ca -0.04 0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.64 1ija s ILE 20 Cb -0.06 -0.32 -0.24 0.00 0.01 0.00 0.00 42.46 41.86 1ija s ILE 20 CO -0.04 0.09 1.12 1.55 0.00 0.00 0.00 174.94 177.66 1ija h PRO 21 N 7.55 0.51 0.00 2.79 0.13 -1.85 0.76 132.00 141.89 1ija h PRO 21 Ca -0.34 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.23 1ija h PRO 21 Cb 1.14 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ija h PRO 21 CO 0.32 1.19 0.29 -0.25 -0.23 0.00 0.00 178.00 179.33 1ija n ASP 22 N -4.08 0.35 -0.21 1.44 8.00 -1.26 -0.31 116.55 120.48 1ija n ASP 22 Ca -0.11 0.56 0.01 0.00 0.71 0.00 0.00 54.79 55.97 1ija n ASP 22 Cb 0.76 -0.51 0.02 0.00 -0.02 0.00 0.00 41.12 41.36 1ija n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ija n ALA 23 N -1.57 1.65 -4.22 2.24 0.00 -1.17 -4.41 120.51 113.02 1ija n ALA 23 Ca -0.01 -0.99 -0.30 0.00 0.00 0.00 0.00 53.44 52.14 1ija n ALA 23 Cb 0.31 -0.24 -0.08 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.21 0.46 -4.83 0.00 5.68 0.58 -4.46 116.55 113.75 1ija n ASP 24 Ca 0.02 -1.20 -0.38 0.00 -0.50 0.00 0.00 54.79 52.73 1ija n ASP 24 Cb 0.57 -2.02 -0.06 0.00 -1.14 0.00 0.00 41.12 38.47 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 -4.22 4.92 -0.44 2.12 -1.09 0.24 -4.91 121.20 117.83 1ija s ILE 25 Ca 0.04 0.92 0.02 0.00 -2.23 0.00 0.00 60.65 59.40 1ija s ILE 25 Cb -0.02 -3.76 0.20 0.00 -1.58 0.00 0.00 42.46 37.29 1ija s ILE 25 CO 0.97 0.50 0.85 -0.54 -1.23 0.00 0.00 174.94 175.49 1ija s LYS 26 N -1.28 0.73 0.05 2.79 1.02 -1.25 -2.17 119.74 119.63 1ija s LYS 26 Ca 0.28 -0.65 -0.06 0.00 0.02 0.00 0.00 55.97 55.56 1ija s LYS 26 Cb -0.17 -0.02 -0.01 0.00 -0.52 0.00 0.00 37.83 37.11 1ija s LYS 26 CO 0.16 -0.92 0.10 -1.21 -0.92 0.00 0.00 175.35 172.56 1ija s GLU 27 N 1.09 0.64 0.63 1.68 0.41 -1.04 -5.00 118.70 117.11 1ija s GLU 27 Ca 0.25 -0.86 -0.07 0.00 -0.41 0.00 0.00 54.97 53.89 1ija s GLU 27 Cb 0.04 0.25 0.02 0.00 -1.78 0.00 0.00 34.13 32.65 1ija s GLU 27 CO -0.08 -0.17 0.96 -1.25 -0.49 0.00 0.00 175.26 174.24 1ija s PRO 28 N -3.04 2.82 -0.13 0.39 0.04 -1.26 -1.67 135.00 132.15 1ija s PRO 28 Ca -0.01 0.07 -0.00 0.00 0.04 0.00 0.00 61.00 61.09 1ija s PRO 28 Cb 0.01 -2.20 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1ija s PRO 28 CO -0.07 -0.84 -0.09 0.08 0.04 0.00 0.00 177.00 176.13 1ija s VAL 29 N -3.10 1.17 0.43 -0.36 1.01 -1.13 -3.55 120.40 114.86 1ija s VAL 29 Ca 0.56 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 1ija s VAL 29 Cb -0.11 -1.18 -0.11 0.00 0.00 0.00 0.00 36.38 34.99 1ija s VAL 29 CO 0.46 0.36 0.96 -0.31 0.00 0.00 0.00 175.10 176.58 1ija s TYR 30 N 1.64 3.31 -1.06 5.22 2.02 -0.28 -2.87 117.35 125.34 1ija s TYR 30 Ca 0.04 1.62 -0.22 0.00 -0.37 0.00 0.00 57.07 58.14 1ija s TYR 30 Cb -0.13 -2.88 0.05 0.00 -0.40 0.00 0.00 41.96 38.59 1ija s TYR 30 CO -0.09 -0.17 1.51 -1.25 -1.57 0.00 0.00 175.55 173.99 1ija s PRO 31 N -3.07 3.60 0.16 -1.71 0.04 -1.26 -2.82 135.00 129.93 1ija s PRO 31 Ca 0.61 -1.22 -0.21 0.00 0.04 0.00 0.00 61.00 60.22 1ija s PRO 31 Cb -0.11 -5.37 0.07 0.00 0.04 0.00 0.00 34.50 29.13 1ija s PRO 31 CO 0.15 -2.27 1.01 0.41 0.04 0.00 0.00 177.00 176.34 1ija n GLY 32 N 6.67 0.59 3.66 0.56 0.00 -1.26 -4.71 105.19 110.69 1ija n GLY 32 Ca 0.36 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.05 4.20 -0.84 1.61 0.04 -1.26 -3.21 135.00 133.49 1ija s PRO 33 Ca 0.23 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 1ija s PRO 33 Cb -0.03 -3.71 -0.26 0.00 0.04 0.00 0.00 34.50 30.54 1ija s PRO 33 CO 0.05 -0.73 2.04 0.00 0.04 0.00 0.00 177.00 178.40 1ija n ALA 34 N 6.59 0.91 -2.61 8.56 0.00 -1.05 -4.85 120.51 128.06 1ija n ALA 34 Ca 0.13 -0.97 -0.27 0.00 0.00 0.00 0.00 53.44 52.32 1ija n ALA 34 Cb 0.46 -2.32 -0.09 0.00 0.00 0.00 0.00 19.45 17.50 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 2.78 3.46 0.13 0.00 -4.23 -1.26 -5.01 115.64 111.52 1ija s THR 35 Ca 1.08 -1.47 -0.14 0.00 -1.18 0.00 0.00 61.69 59.98 1ija s THR 35 Cb -0.61 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.52 1ija s THR 35 CO 0.41 -0.06 1.60 1.55 -0.54 0.00 0.00 174.62 177.58 1ija h PRO 36 N 2.98 0.73 0.00 3.99 0.13 -1.98 -0.73 132.00 137.12 1ija h PRO 36 Ca -0.47 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 64.44 1ija h PRO 36 Cb 1.19 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ija h PRO 36 CO 0.55 0.78 -0.05 1.05 -0.23 0.00 0.00 178.00 180.11 1ija h GLU 37 N 0.58 0.00 0.00 0.86 4.11 -1.97 -2.36 114.58 115.80 1ija h GLU 37 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1ija h GLU 37 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ija h GLU 37 CO 0.01 0.05 -0.15 0.37 0.07 0.00 0.00 179.01 179.36 1ija h GLN 38 N 0.00 0.00 0.00 1.06 5.75 -1.83 -3.36 115.11 116.74 1ija h GLN 38 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1ija h GLN 38 Cb 0.19 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.74 1ija h GLN 38 CO 0.01 0.00 0.53 -0.07 -2.65 0.00 0.00 178.83 176.65 1ija h LEU 39 N -0.30 0.00 -2.08 -2.39 3.38 -1.20 1.07 115.31 113.79 1ija h LEU 39 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ija h LEU 39 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ija h LEU 39 CO 0.00 0.00 -0.08 0.78 0.09 0.00 0.00 178.44 179.23 1ija h ASN 40 N 0.00 0.00 0.62 -0.43 2.35 -1.56 0.20 115.58 116.76 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 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1ija h ASN 40 CO 0.00 0.08 -0.50 0.54 -1.65 0.00 0.00 177.43 175.91 1ija n ARG 41 N -3.74 0.07 0.00 0.81 1.74 0.37 -5.03 116.66 110.89 1ija n ARG 41 Ca -0.02 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ija n ARG 41 Cb 0.19 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1ija n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ija n GLY 42 N 1.46 -0.41 3.75 -0.13 0.00 0.69 -5.11 105.19 105.44 1ija n GLY 42 Ca 0.05 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.64 4.09 0.07 1.61 1.01 -1.23 -4.26 120.40 119.05 1ija s VAL 43 Ca 0.00 -1.53 -0.18 0.00 0.00 0.00 0.00 61.98 60.28 1ija s VAL 43 Cb 0.00 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 33.24 1ija s VAL 43 CO 0.00 -0.31 0.42 -0.94 0.00 0.00 0.00 175.10 174.26 1ija s SER 44 N -3.64 -0.28 1.31 3.32 1.04 -1.14 -1.13 113.70 113.19 1ija s SER 44 Ca 0.32 -0.11 -0.19 0.00 0.48 0.00 0.00 55.95 56.45 1ija s SER 44 Cb -0.08 0.45 0.31 0.00 0.10 0.00 0.00 66.02 66.80 1ija s SER 44 CO 0.23 -0.74 0.77 0.49 0.98 0.00 0.00 173.24 174.97 1ija n PHE 45 N 0.22 -2.67 0.82 5.02 3.72 -1.13 -2.17 117.46 121.28 1ija n PHE 45 Ca -0.18 -0.44 0.13 0.00 -0.05 0.00 0.00 57.45 56.91 1ija n PHE 45 Cb 0.61 -1.47 0.33 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 -5.31 2.91 -3.11 4.37 0.00 0.35 -2.52 120.51 117.21 1ija n ALA 46 Ca 0.08 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 1ija n ALA 46 Cb 0.55 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 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 -3.07 0.61 0.24 0.00 2.02 -1.26 -3.79 118.70 113.46 1ija s GLU 47 Ca 0.10 -0.37 -0.05 0.00 0.02 0.00 0.00 54.97 54.67 1ija s GLU 47 Cb 0.16 0.26 0.26 0.00 0.10 0.00 0.00 34.13 34.91 1ija s GLU 47 CO 0.66 -0.17 1.80 1.05 0.02 0.00 0.00 175.26 178.62 1ija h GLU 48 N 3.90 1.05 -0.41 1.61 4.11 -1.88 -2.43 114.58 120.53 1ija h GLU 48 Ca -0.31 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1ija h GLU 48 Cb 1.19 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1ija h GLU 48 CO 0.42 0.87 0.00 0.09 0.07 0.00 0.00 179.01 180.46 1ija n ASN 49 N -4.28 1.77 -4.57 3.06 4.13 -1.26 -4.39 115.26 109.73 1ija n ASN 49 Ca 0.06 -2.08 -0.18 0.00 1.68 0.00 0.00 54.58 54.06 1ija n ASN 49 Cb 0.20 -0.27 -0.08 0.00 -1.54 0.00 0.00 39.78 38.08 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1ija s GLU 50 N -1.64 1.71 0.15 3.52 2.56 -0.91 -4.91 118.70 119.18 1ija s GLU 50 Ca 0.19 -0.27 -0.10 0.00 0.00 0.00 0.00 54.97 54.79 1ija s GLU 50 Cb 0.11 -4.98 -0.06 0.00 2.00 0.00 0.00 34.13 31.20 1ija s GLU 50 CO 0.11 -4.66 0.47 -1.12 -0.56 0.00 0.00 175.26 169.50 1ija s SER 51 N 8.80 6.65 0.00 -1.70 0.01 -1.26 -4.90 113.70 121.29 1ija s SER 51 Ca 0.81 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.92 1ija s SER 51 Cb -0.07 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1ija s SER 51 CO 0.12 0.06 0.82 0.18 0.41 0.00 0.00 173.24 174.83 1ija n LEU 52 N 0.41 0.00 0.09 2.44 7.99 -1.26 0.07 117.00 126.75 1ija n LEU 52 Ca -0.04 0.34 -0.06 0.00 -0.01 0.00 0.00 56.01 56.24 1ija n LEU 52 Cb 0.52 -0.34 -0.02 0.00 -0.11 0.00 0.00 43.42 43.47 1ija n LEU 52 CO 0.44 -0.34 0.25 0.44 -1.51 0.00 0.00 177.39 176.68 1ija h ASP 53 N 0.00 0.07 -1.93 -1.43 5.19 -1.90 -3.42 116.42 113.00 1ija h ASP 53 Ca 0.00 -0.06 -0.53 0.00 -0.62 0.00 0.00 57.03 55.82 1ija h ASP 53 Cb 0.20 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 1ija h ASP 53 CO 0.00 0.92 1.51 -1.81 -3.12 0.00 0.00 179.24 176.73 1ija s ASP 54 N -6.81 5.08 0.44 6.45 1.01 0.11 -4.75 116.67 118.20 1ija s ASP 54 Ca -0.01 1.33 0.11 0.00 0.71 0.00 0.00 52.55 54.69 1ija s ASP 54 Cb 0.11 -2.51 0.60 0.00 1.01 0.00 0.00 42.92 42.12 1ija s ASP 54 CO 0.81 -2.34 1.23 0.06 0.21 0.00 0.00 175.17 175.13 1ija h GLN 55 N 16.60 0.00 -4.37 8.23 3.07 -1.87 -3.19 115.11 133.57 1ija h GLN 55 Ca -0.32 0.00 -0.67 0.00 0.09 0.00 0.00 58.65 57.76 1ija h GLN 55 Cb 1.23 0.00 -0.39 0.00 0.08 0.00 0.00 27.48 28.41 1ija h GLN 55 CO 1.08 0.00 -0.65 1.21 0.09 0.00 0.00 178.83 180.56 1ija s ASN 56 N -3.31 4.84 0.10 0.06 3.84 -1.26 -0.81 114.94 118.40 1ija s ASN 56 Ca -0.01 -2.31 -0.01 0.00 0.21 0.00 0.00 52.86 50.74 1ija s ASN 56 Cb 0.03 -1.69 -0.04 0.00 -0.55 0.00 0.00 41.25 39.00 1ija s ASN 56 CO 0.10 -0.39 0.27 -0.63 -2.79 0.00 0.00 177.10 173.66 1ija s ILE 57 N 0.71 5.31 -0.12 -5.21 1.01 -0.99 -4.97 121.20 116.94 1ija s ILE 57 Ca 0.12 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 1ija s ILE 57 Cb -0.21 -3.64 0.05 0.00 0.01 0.00 0.00 42.46 38.67 1ija s ILE 57 CO -0.06 0.08 0.09 -0.94 0.00 0.00 0.00 174.94 174.11 1ija s SER 58 N -2.56 1.73 0.28 3.58 1.04 -1.26 0.27 113.70 116.78 1ija s SER 58 Ca 0.37 -0.27 0.06 0.00 0.48 0.00 0.00 55.95 56.59 1ija s SER 58 Cb -0.13 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.83 1ija s SER 58 CO 0.27 -0.30 0.35 -0.63 0.98 0.00 0.00 173.24 173.91 1ija s ILE 59 N 2.17 4.63 -0.02 -1.02 1.01 -1.06 0.13 121.20 127.04 1ija s ILE 59 Ca 0.03 -1.11 -0.00 0.00 0.00 0.00 0.00 60.65 59.58 1ija s ILE 59 Cb -0.14 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1ija s ILE 59 CO -0.07 -0.27 0.04 0.00 0.00 0.00 0.00 174.94 174.64 1ija s ALA 60 N -2.09 0.04 0.03 9.38 0.00 -0.92 -1.74 121.76 126.47 1ija s ALA 60 Ca 0.37 0.30 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 1ija s ALA 60 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1ija s ALA 60 CO 0.29 -0.10 0.05 0.20 0.00 0.00 0.00 175.76 176.19 1ija s GLY 61 N 0.96 0.23 1.12 0.00 0.00 -0.98 -2.87 107.32 105.78 1ija s GLY 61 Ca -0.08 -0.65 -0.17 0.00 0.00 0.00 0.00 44.72 43.82 1ija s GLY 61 CO -0.03 -0.77 1.13 0.30 0.00 0.00 0.00 173.10 173.73 1ija s HIS 62 N -2.48 1.08 -0.40 1.90 3.76 -1.26 -0.03 115.29 117.87 1ija s HIS 62 Ca -0.06 0.61 0.05 0.00 -0.15 0.00 0.00 55.06 55.50 1ija s HIS 62 Cb -0.02 -3.47 0.18 0.00 1.11 0.00 0.00 32.58 30.38 1ija s HIS 62 CO -0.04 -3.46 0.71 -0.08 -0.85 0.00 0.00 174.74 171.02 1ija s THR 63 N -3.10 -0.86 -0.31 1.30 -1.32 -1.07 0.08 115.64 110.36 1ija s THR 63 Ca 0.69 -0.02 -0.21 0.00 -1.21 0.00 0.00 61.69 60.95 1ija s THR 63 Cb -0.11 0.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.87 1ija s THR 63 CO 0.56 0.00 0.64 -0.36 -2.21 0.00 0.00 174.62 173.25 1ija s PHE 64 N 1.85 3.20 0.53 9.09 0.40 -1.26 -4.84 117.98 126.95 1ija s PHE 64 Ca 0.16 0.57 0.19 0.00 -0.60 0.00 0.00 56.93 57.25 1ija s PHE 64 Cb -0.03 -3.03 1.35 0.00 0.51 0.00 0.00 43.02 41.83 1ija s PHE 64 CO -0.08 -0.50 2.15 0.82 0.70 0.00 0.00 175.22 178.30 1ija h ILE 65 N 5.57 0.91 -0.22 0.64 1.08 -1.99 0.78 117.51 124.29 1ija h ILE 65 Ca -0.26 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1ija h ILE 65 Cb 1.11 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 35.84 1ija h ILE 65 CO 0.81 0.00 0.00 -0.67 -0.69 0.00 0.00 178.15 177.60 1ija n ASP 66 N -4.43 2.74 -2.98 1.72 2.03 -1.26 -4.24 116.55 110.13 1ija n ASP 66 Ca -0.02 -2.34 -0.16 0.00 0.52 0.00 0.00 54.79 52.79 1ija n ASP 66 Cb 0.13 -0.55 -0.01 0.00 -0.72 0.00 0.00 41.12 39.96 1ija n ASP 66 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1ija n ARG 67 N 0.24 0.72 0.00 -0.67 3.00 0.27 -4.99 116.66 115.23 1ija n ARG 67 Ca 0.11 -2.50 0.00 0.00 -0.00 0.00 0.00 57.85 55.45 1ija n ARG 67 Cb 0.59 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.70 1ija n ARG 67 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1ija n PRO 68 N 1.60 0.00 -3.01 -0.14 -0.02 -1.26 -2.64 135.00 129.54 1ija n PRO 68 Ca 0.16 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.49 1ija n PRO 68 Cb 0.58 -0.92 0.01 0.00 -0.02 0.00 0.00 33.50 33.15 1ija n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ija n ASN 69 N -0.06 -0.48 -3.42 2.55 3.02 -1.26 -4.62 115.26 110.99 1ija n ASN 69 Ca 0.00 -3.25 -0.17 0.00 -0.03 0.00 0.00 54.58 51.13 1ija n ASN 69 Cb 0.00 0.39 -0.11 0.00 -0.61 0.00 0.00 39.78 39.45 1ija n ASN 69 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ija s TYR 70 N -1.28 -0.42 0.00 3.10 5.04 -1.08 -5.04 117.35 117.67 1ija s TYR 70 Ca 0.33 0.00 0.00 0.00 -2.44 0.00 0.00 57.07 54.96 1ija s TYR 70 Cb 0.31 -0.40 0.00 0.00 0.35 0.00 0.00 41.96 42.22 1ija s TYR 70 CO -0.08 -0.82 0.00 1.04 -1.34 0.00 0.00 175.55 174.36 1ija n GLN 71 N 5.32 0.00 -1.10 4.97 6.02 -1.26 -1.82 117.38 129.51 1ija n GLN 71 Ca -0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.74 1ija n GLN 71 Cb 0.47 0.00 0.15 0.00 1.02 0.00 0.00 30.24 31.89 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 7.21 2.73 -0.01 1.08 3.01 0.11 -4.57 117.46 127.02 1ija n PHE 72 Ca 0.00 -1.77 -0.12 0.00 1.01 0.00 0.00 57.45 56.58 1ija n PHE 72 Cb 0.00 -0.90 -0.07 0.00 -0.01 0.00 0.00 39.48 38.50 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 0.89 1.17 0.00 4.37 2.02 -1.32 -3.20 112.91 116.84 1ija h THR 73 Ca 0.56 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1ija h THR 73 Cb 2.54 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 1ija h THR 73 CO 1.01 0.14 -1.27 0.59 0.37 0.00 0.00 175.52 176.36 1ija n ASN 74 N -4.93 0.55 -0.34 4.18 4.13 -1.26 -4.14 115.26 113.45 1ija n ASN 74 Ca -0.06 0.07 0.15 0.00 1.68 0.00 0.00 54.58 56.41 1ija n ASN 74 Cb 0.13 0.97 0.36 0.00 -1.54 0.00 0.00 39.78 39.69 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 0.71 0.00 3.41 7.12 -1.77 2.51 115.31 127.29 1ija h LEU 75 Ca 0.00 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1ija h LEU 75 Cb 0.91 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.01 1ija h LEU 75 CO 0.00 0.24 0.00 2.29 -0.13 0.00 0.00 178.44 180.84 1ija n LYS 76 N -4.73 0.24 -0.01 1.25 2.85 -1.24 -1.69 118.16 114.83 1ija n LYS 76 Ca 0.23 0.13 -0.05 0.00 -1.05 0.00 0.00 58.31 57.58 1ija n LYS 76 Cb 0.62 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.38 1ija n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ija n ALA 77 N -1.24 1.71 -0.85 0.58 0.00 0.84 -4.94 120.51 116.61 1ija n ALA 77 Ca 0.07 -0.73 -0.34 0.00 0.00 0.00 0.00 53.44 52.44 1ija n ALA 77 Cb 0.10 -0.82 0.10 0.00 0.00 0.00 0.00 19.45 18.82 1ija n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ija n ALA 78 N -2.50 -3.97 -2.20 0.00 0.00 -0.68 -4.96 120.51 106.20 1ija n ALA 78 Ca -0.15 -0.81 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 1ija n ALA 78 Cb 0.96 -1.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 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 -3.00 1.07 0.24 0.00 3.01 -1.26 -5.06 119.74 114.74 1ija s LYS 79 Ca 0.50 -1.53 -0.30 0.00 -1.01 0.00 0.00 55.97 53.63 1ija s LYS 79 Cb -0.16 0.07 -0.14 0.00 -1.01 0.00 0.00 37.83 36.58 1ija s LYS 79 CO 0.72 -0.25 1.12 1.63 0.51 0.00 0.00 175.35 179.08 1ija n LYS 80 N -0.20 1.39 0.00 1.68 5.02 -1.26 -1.51 118.16 123.28 1ija n LYS 80 Ca -0.04 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1ija n LYS 80 Cb 0.64 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1ija n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ija n GLY 81 N 1.62 2.30 3.66 0.72 0.00 -1.13 -4.99 105.19 107.37 1ija n GLY 81 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 0.11 6.55 0.12 1.61 0.15 -0.57 -4.62 113.70 117.05 1ija s SER 82 Ca 0.00 2.39 -0.27 0.00 0.70 0.00 0.00 55.95 58.77 1ija s SER 82 Cb 0.00 -2.53 -0.07 0.00 -1.71 0.00 0.00 66.02 61.71 1ija s SER 82 CO 0.00 -1.00 0.83 -0.04 1.20 0.00 0.00 173.24 174.23 1ija s MET 83 N 4.26 4.61 -0.36 5.44 1.00 -1.26 -2.96 119.30 130.03 1ija s MET 83 Ca 0.80 1.23 -0.14 0.00 0.00 0.00 0.00 55.69 57.58 1ija s MET 83 Cb -0.37 -3.32 -0.01 0.00 0.00 0.00 0.00 34.83 31.13 1ija s MET 83 CO 0.34 0.40 0.30 0.08 0.00 0.00 0.00 175.02 176.14 1ija s VAL 84 N -0.56 5.24 -0.56 -6.03 1.01 -0.93 -4.68 120.40 113.88 1ija s VAL 84 Ca 0.40 -0.23 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 1ija s VAL 84 Cb -0.23 -3.80 0.08 0.00 0.00 0.00 0.00 36.38 32.43 1ija s VAL 84 CO 0.27 -0.11 0.72 -0.31 0.00 0.00 0.00 175.10 175.67 1ija s TYR 85 N 1.82 2.97 -0.35 5.22 1.51 -0.76 -2.49 117.35 125.26 1ija s TYR 85 Ca 0.08 -0.69 -0.15 0.00 -1.01 0.00 0.00 57.07 55.29 1ija s TYR 85 Cb -0.17 -3.87 -0.01 0.00 -0.11 0.00 0.00 41.96 37.80 1ija s TYR 85 CO 0.11 -1.24 0.37 0.12 -1.11 0.00 0.00 175.55 173.80 1ija s PHE 86 N 2.90 3.21 -0.05 2.71 5.36 -1.05 -2.18 117.98 128.88 1ija s PHE 86 Ca 0.15 -0.07 -0.01 0.00 -0.96 0.00 0.00 56.93 56.04 1ija s PHE 86 Cb -0.21 -2.70 -0.04 0.00 -0.34 0.00 0.00 43.02 39.74 1ija s PHE 86 CO 0.10 -0.47 0.03 0.15 -1.46 0.00 0.00 175.22 173.57 1ija s LYS 87 N 2.03 2.99 -0.16 10.12 1.02 0.02 -2.05 119.74 133.69 1ija s LYS 87 Ca 0.12 -0.45 -0.07 0.00 0.02 0.00 0.00 55.97 55.59 1ija s LYS 87 Cb -0.17 -2.81 0.07 0.00 -0.52 0.00 0.00 37.83 34.41 1ija s LYS 87 CO 0.12 0.68 0.35 0.14 -0.92 0.00 0.00 175.35 175.72 1ija s VAL 88 N -1.00 -0.39 0.00 3.17 -7.23 -0.73 -0.56 120.40 113.66 1ija s VAL 88 Ca 0.17 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.52 1ija s VAL 88 Cb -0.12 -0.56 0.00 0.00 0.56 0.00 0.00 36.38 36.26 1ija s VAL 88 CO 0.06 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 1ija n GLY 89 N 5.03 1.40 2.27 2.32 0.00 -1.26 -1.23 105.19 113.72 1ija n GLY 89 Ca -0.13 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 1ija n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ija n ASN 90 N -2.29 6.39 -3.68 1.61 2.85 -1.26 -4.84 115.26 114.04 1ija n ASN 90 Ca 0.00 -2.84 -0.11 0.00 -0.11 0.00 0.00 54.58 51.52 1ija n ASN 90 Cb 0.00 -1.36 -0.06 0.00 1.24 0.00 0.00 39.78 39.61 1ija n ASN 90 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1ija s GLU 91 N -0.17 0.97 -0.05 1.20 2.02 -0.37 -5.17 118.70 117.14 1ija s GLU 91 Ca 0.63 -0.62 -0.20 0.00 0.02 0.00 0.00 54.97 54.80 1ija s GLU 91 Cb 0.32 0.43 0.04 0.00 0.10 0.00 0.00 34.13 35.01 1ija s GLU 91 CO -0.10 -0.35 0.44 0.99 0.02 0.00 0.00 175.26 176.25 1ija s THR 92 N -3.31 0.03 0.31 3.63 2.01 -1.26 -1.77 115.64 115.29 1ija s THR 92 Ca 0.00 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1ija s THR 92 Cb 0.01 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.78 1ija s THR 92 CO -0.08 -0.15 0.35 0.00 -0.69 0.00 0.00 174.62 174.04 1ija s ARG 93 N -1.08 1.73 0.13 4.92 3.03 -0.87 -5.03 118.95 121.78 1ija s ARG 93 Ca -0.11 -1.82 -0.06 0.00 2.03 0.00 0.00 55.73 55.78 1ija s ARG 93 Cb -0.03 0.37 -0.02 0.00 -1.03 0.00 0.00 34.95 34.24 1ija s ARG 93 CO 0.05 -0.67 0.17 -1.59 -1.13 0.00 0.00 175.30 172.13 1ija s LYS 94 N -3.41 0.99 -0.24 3.89 0.00 -1.26 -2.52 119.74 117.18 1ija s LYS 94 Ca 0.35 -1.24 -0.03 0.00 0.00 0.00 0.00 55.97 55.06 1ija s LYS 94 Cb 0.02 0.31 0.12 0.00 0.00 0.00 0.00 37.83 38.28 1ija s LYS 94 CO 0.21 -0.32 0.32 0.71 0.00 0.00 0.00 175.35 176.28 1ija s TYR 95 N -3.98 -0.62 -0.21 1.78 1.51 -1.04 -3.89 117.35 110.91 1ija s TYR 95 Ca 0.17 0.50 -0.29 0.00 -1.01 0.00 0.00 57.07 56.44 1ija s TYR 95 Cb 0.05 -0.16 -0.01 0.00 -0.11 0.00 0.00 41.96 41.73 1ija s TYR 95 CO -0.02 -0.72 1.33 0.21 -1.11 0.00 0.00 175.55 175.24 1ija s LYS 96 N 2.46 4.09 0.11 -0.62 2.20 -0.83 -2.18 119.74 124.97 1ija s LYS 96 Ca 0.10 1.56 -0.35 0.00 -0.36 0.00 0.00 55.97 56.92 1ija s LYS 96 Cb -0.15 -3.84 -0.15 0.00 -1.51 0.00 0.00 37.83 32.17 1ija s LYS 96 CO -0.17 -0.91 1.47 -1.33 -0.36 0.00 0.00 175.35 174.05 1ija n MET 97 N 6.97 1.65 -0.77 4.03 2.81 -1.16 -3.20 117.12 127.46 1ija n MET 97 Ca 0.15 0.59 -0.03 0.00 -1.81 0.00 0.00 57.70 56.60 1ija n MET 97 Cb 0.45 -2.30 -0.03 0.00 -0.71 0.00 0.00 33.22 30.63 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 3.04 0.00 -3.64 2.03 -1.04 -1.17 -2.85 114.28 110.65 1ija n THR 98 Ca 0.18 -0.05 -0.03 0.00 -2.04 0.00 0.00 64.05 62.11 1ija n THR 98 Cb 0.24 0.29 -0.07 0.00 -1.82 0.00 0.00 70.33 68.97 1ija n THR 98 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ija s SER 99 N -0.58 -0.39 0.16 8.00 0.15 -1.02 -5.00 113.70 115.02 1ija s SER 99 Ca 0.02 0.65 -0.03 0.00 0.70 0.00 0.00 55.95 57.29 1ija s SER 99 Cb 0.02 1.03 -0.03 0.00 -1.71 0.00 0.00 66.02 65.32 1ija s SER 99 CO -0.01 -0.11 0.14 -0.63 1.20 0.00 0.00 173.24 173.84 1ija s ILE 100 N 0.98 0.06 0.00 6.45 1.01 -1.26 0.08 121.20 128.52 1ija s ILE 100 Ca -0.05 -1.80 0.00 0.00 0.00 0.00 0.00 60.65 58.79 1ija s ILE 100 Cb -0.04 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1ija s ILE 100 CO -0.13 -0.29 0.00 0.54 0.00 0.00 0.00 174.94 175.06 1ija n ARG 101 N -0.18 1.92 -1.20 2.79 1.74 -1.19 -4.91 116.66 115.64 1ija n ARG 101 Ca -0.04 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.01 1ija n ARG 101 Cb 0.64 -0.49 -0.01 0.00 -1.02 0.00 0.00 32.46 31.58 1ija n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ija n ASP 102 N -0.34 -0.82 -3.63 0.55 2.03 0.42 -4.75 116.55 110.02 1ija n ASP 102 Ca 0.00 0.10 -0.10 0.00 0.52 0.00 0.00 54.79 55.31 1ija n ASP 102 Cb 0.00 -1.12 -0.07 0.00 -0.72 0.00 0.00 41.12 39.21 1ija n ASP 102 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ija s VAL 103 N -1.31 0.00 0.01 5.18 0.11 -1.26 -4.52 120.40 118.61 1ija s VAL 103 Ca 0.00 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.84 1ija s VAL 103 Cb 0.00 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.73 1ija s VAL 103 CO 0.00 0.00 1.03 0.50 -3.33 0.00 0.00 175.10 173.30 1ija h LYS 104 N 3.95 -0.73 0.00 1.54 3.64 -1.86 -3.42 116.57 119.69 1ija h LYS 104 Ca -0.27 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1ija h LYS 104 Cb 1.17 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1ija h LYS 104 CO 0.14 -0.49 0.00 -2.30 -2.27 0.00 0.00 179.45 174.53 1ija n PRO 105 N -4.66 0.00 0.00 1.90 -0.02 -1.26 -4.31 135.00 126.66 1ija n PRO 105 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1ija n PRO 105 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.78 1ija n PRO 105 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ija n THR 106 N 0.00 0.00 -2.88 3.45 -2.24 -1.26 -4.45 114.28 106.90 1ija n THR 106 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1ija n THR 106 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1ija n THR 106 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ija s ASP 107 N -4.00 5.52 0.00 3.42 1.01 -1.26 -4.92 116.67 116.44 1ija s ASP 107 Ca 0.00 -0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.07 1ija s ASP 107 Cb 0.00 -0.84 0.00 0.00 1.01 0.00 0.00 42.92 43.09 1ija s ASP 107 CO 0.00 -0.90 0.87 1.33 0.21 0.00 0.00 175.17 176.68 1ija n VAL 108 N -2.06 0.87 0.00 -1.27 0.24 -1.26 -4.55 118.33 110.29 1ija n VAL 108 Ca 0.07 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1ija n VAL 108 Cb 0.59 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 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 1.04 2.96 0.24 7.63 0.00 -1.26 -4.96 105.19 110.83 1ija n GLY 109 Ca 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 1.28 -2.40 1.61 2.07 -1.80 -3.28 116.25 113.72 1ija h VAL 110 Ca 0.00 -1.38 -0.67 0.00 0.82 0.00 0.00 66.70 65.47 1ija h VAL 110 Cb 0.00 1.36 -0.37 0.00 -1.52 0.00 0.00 31.29 30.76 1ija h VAL 110 CO 0.00 0.44 -0.10 0.18 0.02 0.00 0.00 177.57 178.11 1ija n LEU 111 N -4.09 4.87 -0.43 2.57 4.32 -1.26 -4.62 117.00 118.37 1ija n LEU 111 Ca -0.01 -5.42 -0.01 0.00 -0.02 0.00 0.00 56.01 50.55 1ija n LEU 111 Cb 0.45 -0.85 -0.01 0.00 -1.62 0.00 0.00 43.42 41.38 1ija n LEU 111 CO 0.44 2.00 0.10 -0.67 -1.22 0.00 0.00 177.39 178.04 1ija n ASP 112 N 0.74 -0.18 -0.68 -1.43 2.03 -1.24 -4.98 116.55 110.82 1ija n ASP 112 Ca 0.30 -0.50 -0.01 0.00 0.52 0.00 0.00 54.79 55.10 1ija n ASP 112 Cb 0.37 0.05 -0.01 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.19 -0.67 -0.00 -1.26 -4.88 120.64 113.64 1ija n GLU 113 Ca -0.05 -0.54 0.00 0.00 -0.00 0.00 0.00 57.16 56.57 1ija n GLU 113 Cb 0.29 0.02 0.00 0.00 -0.00 0.00 0.00 31.44 31.75 1ija n GLU 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ija n GLN 114 N 0.04 0.00 -0.11 3.44 10.64 -1.26 -4.88 117.38 125.25 1ija n GLN 114 Ca -0.06 -0.47 -0.00 0.00 -1.83 0.00 0.00 57.00 54.64 1ija n GLN 114 Cb 0.63 -0.34 0.00 0.00 -0.86 0.00 0.00 30.24 29.67 1ija n GLN 114 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1ija n LYS 115 N 0.00 1.02 0.00 2.61 2.85 -1.26 -3.02 118.16 120.36 1ija n LYS 115 Ca 0.00 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1ija n LYS 115 Cb 0.55 -1.02 0.00 0.00 -0.65 0.00 0.00 35.03 33.91 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 0.65 -0.59 0.00 2.58 0.00 -1.26 -5.04 105.19 101.53 1ija n GLY 116 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.00 -4.34 1.61 4.76 -1.17 -5.12 118.16 113.91 1ija n LYS 117 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1ija n LYS 117 Cb 0.46 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.56 1ija n LYS 117 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ija s ASP 118 N -1.00 4.18 0.30 4.39 1.11 -1.26 -5.07 116.67 119.32 1ija s ASP 118 Ca 0.00 -1.14 -0.27 0.00 0.18 0.00 0.00 52.55 51.32 1ija s ASP 118 Cb 0.00 -0.47 -0.14 0.00 1.07 0.00 0.00 42.92 43.38 1ija s ASP 118 CO 0.00 -0.42 0.82 0.29 1.18 0.00 0.00 175.17 177.04 1ija n LYS 119 N -1.07 0.92 -3.81 8.23 5.02 -1.26 -4.85 118.16 121.35 1ija n LYS 119 Ca -0.03 0.33 -0.10 0.00 -2.02 0.00 0.00 58.31 56.49 1ija n LYS 119 Cb 0.65 -1.62 -0.05 0.00 -0.02 0.00 0.00 35.03 33.99 1ija n LYS 119 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1ija s GLN 120 N -1.47 1.29 -0.16 1.97 -2.07 0.01 -3.00 119.66 116.22 1ija s GLN 120 Ca 0.61 -0.96 -0.00 0.00 -1.82 0.00 0.00 55.36 53.19 1ija s GLN 120 Cb -0.72 0.47 0.04 0.00 -1.09 0.00 0.00 33.01 31.70 1ija s GLN 120 CO 0.59 -0.52 -0.08 -1.17 -1.32 0.00 0.00 175.29 172.78 1ija s LEU 121 N -2.90 1.72 -0.80 2.60 2.96 -0.99 -2.34 118.68 118.94 1ija s LEU 121 Ca 0.11 -0.63 -0.16 0.00 -0.22 0.00 0.00 54.13 53.23 1ija s LEU 121 Cb 0.01 -1.02 0.17 0.00 0.50 0.00 0.00 46.19 45.84 1ija s LEU 121 CO -0.02 -0.14 0.85 0.42 -1.32 0.00 0.00 176.35 176.13 1ija s THR 122 N 1.56 5.20 0.39 3.68 -4.23 0.14 -2.94 115.64 119.44 1ija s THR 122 Ca 0.02 -1.90 -0.26 0.00 -1.18 0.00 0.00 61.69 58.37 1ija s THR 122 Cb -0.15 -4.56 -0.09 0.00 1.34 0.00 0.00 72.50 69.05 1ija s THR 122 CO -0.08 -1.18 1.21 -0.76 -0.54 0.00 0.00 174.62 173.27 1ija s LEU 123 N 1.42 4.23 -0.02 4.79 1.43 -0.94 -2.56 118.68 127.03 1ija s LEU 123 Ca 0.20 2.45 -0.01 0.00 -1.03 0.00 0.00 54.13 55.75 1ija s LEU 123 Cb -0.12 -3.94 0.02 0.00 0.03 0.00 0.00 46.19 42.17 1ija s LEU 123 CO -0.06 -0.69 0.05 -0.63 0.23 0.00 0.00 176.35 175.25 1ija s ILE 124 N -1.34 -0.03 0.43 -0.59 1.01 -0.71 -3.05 121.20 116.93 1ija s ILE 124 Ca 0.56 0.09 0.04 0.00 0.00 0.00 0.00 60.65 61.34 1ija s ILE 124 Cb -0.33 -0.08 0.01 0.00 0.01 0.00 0.00 42.46 42.06 1ija s ILE 124 CO 0.43 0.04 0.61 0.42 0.00 0.00 0.00 174.94 176.44 1ija s THR 125 N 0.49 3.52 -0.10 2.92 -4.23 -1.15 -2.32 115.64 114.78 1ija s THR 125 Ca -0.04 -0.79 -0.09 0.00 -1.18 0.00 0.00 61.69 59.60 1ija s THR 125 Cb -0.06 -3.26 0.03 0.00 1.34 0.00 0.00 72.50 70.55 1ija s THR 125 CO -0.02 -0.14 0.25 0.00 -0.54 0.00 0.00 174.62 174.18 1ija n ASP 127 N 3.01 0.00 -3.05 0.00 5.68 -1.26 -2.60 116.55 118.33 1ija n ASP 127 Ca -0.13 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.07 1ija n ASP 127 Cb 0.58 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.60 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 -6.74 -4.70 -1.12 8.00 -1.26 -4.17 116.55 106.56 1ija n ASP 128 Ca 0.00 -0.42 -0.42 0.00 0.71 0.00 0.00 54.79 54.66 1ija n ASP 128 Cb 0.00 -4.92 -0.03 0.00 -0.02 0.00 0.00 41.12 36.15 1ija n ASP 128 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1ija s TYR 129 N -3.22 2.50 -0.28 1.24 6.14 -1.26 -2.85 117.35 119.63 1ija s TYR 129 Ca 0.26 0.28 -0.24 0.00 0.64 0.00 0.00 57.07 58.00 1ija s TYR 129 Cb -0.03 -4.04 -0.00 0.00 0.42 0.00 0.00 41.96 38.31 1ija s TYR 129 CO 0.69 -4.12 0.80 1.21 0.64 0.00 0.00 175.55 174.77 1ija s ASN 130 N 2.15 6.73 0.00 4.32 2.47 -0.69 -4.77 114.94 125.14 1ija s ASN 130 Ca 0.75 0.82 0.30 0.00 0.42 0.00 0.00 52.86 55.15 1ija s ASN 130 Cb -0.43 -2.42 1.47 0.00 -1.45 0.00 0.00 41.25 38.42 1ija s ASN 130 CO 0.33 -0.57 1.98 -1.84 -3.72 0.00 0.00 177.10 173.28 1ija n GLU 131 N 6.13 1.24 -0.08 0.43 0.28 -1.26 -2.10 120.64 125.28 1ija n GLU 131 Ca 0.04 -0.43 -0.15 0.00 -0.16 0.00 0.00 57.16 56.46 1ija n GLU 131 Cb 0.48 -1.49 -0.12 0.00 1.43 0.00 0.00 31.44 31.73 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 1.05 0.00 0.00 3.44 1.57 -1.93 -3.35 116.57 117.35 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 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1ija h LYS 132 CO 0.00 0.98 -0.81 0.25 -0.57 0.00 0.00 179.45 179.30 1ija n THR 133 N -4.58 0.02 -2.89 -0.16 -2.24 -1.25 -4.96 114.28 98.21 1ija n THR 133 Ca -0.14 -0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1ija n THR 133 Cb 0.50 0.58 0.03 0.00 -2.10 0.00 0.00 70.33 69.34 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 1.48 0.41 3.20 3.38 0.00 -0.89 -5.04 105.19 107.73 1ija n GLY 134 Ca 0.04 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.11 0.14 -0.21 1.61 1.01 -1.07 -5.02 120.40 113.74 1ija s VAL 135 Ca 0.21 -1.12 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 1ija s VAL 135 Cb -0.09 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1ija s VAL 135 CO 0.26 -0.62 2.04 0.26 0.00 0.00 0.00 175.10 177.04 1ija s TRP 136 N -3.59 1.41 0.00 5.22 0.52 -1.26 -1.71 118.94 119.53 1ija s TRP 136 Ca 0.03 0.43 0.00 0.00 0.02 0.00 0.00 56.10 56.58 1ija s TRP 136 Cb 0.04 -4.02 0.00 0.00 -1.15 0.00 0.00 33.47 28.34 1ija s TRP 136 CO -0.10 -3.92 0.48 -1.91 0.02 0.00 0.00 176.95 171.53 1ija n GLU 137 N 8.43 0.00 -4.32 4.98 4.07 -1.13 -4.57 120.64 128.10 1ija n GLU 137 Ca 0.26 0.48 -0.29 0.00 -0.06 0.00 0.00 57.16 57.56 1ija n GLU 137 Cb 0.45 -0.88 -0.11 0.00 -0.06 0.00 0.00 31.44 30.84 1ija n GLU 137 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1ija s LYS 138 N -1.45 1.76 -0.29 5.31 2.20 -1.26 -4.99 119.74 121.03 1ija s LYS 138 Ca 0.00 -1.23 -0.17 0.00 -0.36 0.00 0.00 55.97 54.21 1ija s LYS 138 Cb 0.00 -2.08 0.15 0.00 -1.51 0.00 0.00 37.83 34.38 1ija s LYS 138 CO 0.00 0.47 1.01 -0.98 -0.36 0.00 0.00 175.35 175.48 1ija s ARG 139 N -2.25 0.37 0.59 4.03 1.70 -1.26 -4.25 118.95 117.88 1ija s ARG 139 Ca 0.19 0.61 -0.04 0.00 -0.47 0.00 0.00 55.73 56.02 1ija s ARG 139 Cb -0.10 0.09 0.02 0.00 -0.57 0.00 0.00 34.95 34.40 1ija s ARG 139 CO 0.10 -0.07 0.86 0.15 -1.08 0.00 0.00 175.30 175.27 1ija s LYS 140 N 1.14 2.71 -0.00 3.89 1.02 -1.26 -4.74 119.74 122.50 1ija s LYS 140 Ca -0.07 -0.28 -0.02 0.00 0.02 0.00 0.00 55.97 55.62 1ija s LYS 140 Cb -0.04 -2.34 -0.00 0.00 -0.52 0.00 0.00 37.83 34.93 1ija s LYS 140 CO -0.14 -0.75 0.04 0.42 -0.92 0.00 0.00 175.35 174.00 1ija s ILE 141 N -2.93 0.05 0.18 2.17 1.01 -1.26 -2.94 121.20 117.47 1ija s ILE 141 Ca 0.55 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 1ija s ILE 141 Cb -0.10 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.13 1ija s ILE 141 CO 0.43 -0.22 0.12 -0.36 0.00 0.00 0.00 174.94 174.90 1ija s PHE 142 N -0.68 1.09 -0.11 3.97 0.40 -1.17 -0.44 117.98 121.03 1ija s PHE 142 Ca -0.08 -1.34 -0.13 0.00 -0.60 0.00 0.00 56.93 54.78 1ija s PHE 142 Cb -0.05 -0.54 0.03 0.00 0.51 0.00 0.00 43.02 42.98 1ija s PHE 142 CO -0.00 -0.62 0.36 0.08 0.70 0.00 0.00 175.22 175.74 1ija s VAL 143 N -4.13 0.01 0.24 -0.44 1.01 0.11 -2.22 120.40 114.98 1ija s VAL 143 Ca 0.35 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.26 1ija s VAL 143 Cb 0.07 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1ija s VAL 143 CO 0.10 -0.04 0.14 0.00 0.00 0.00 0.00 175.10 175.29 1ija s ALA 144 N -0.08 1.45 -0.03 5.51 0.00 -1.15 -2.44 121.76 125.02 1ija s ALA 144 Ca -0.02 -1.78 -0.10 0.00 0.00 0.00 0.00 51.96 50.06 1ija s ALA 144 Cb -0.03 1.29 0.01 0.00 0.00 0.00 0.00 23.12 24.39 1ija s ALA 144 CO 0.01 -0.56 0.22 -0.08 0.00 0.00 0.00 175.76 175.36 1ija s THR 145 N -3.94 0.05 0.00 0.00 -1.32 -1.19 -2.34 115.64 106.90 1ija s THR 145 Ca 0.38 -0.45 -0.01 0.00 -1.21 0.00 0.00 61.69 60.41 1ija s THR 145 Cb 0.07 -0.47 -0.03 0.00 -1.51 0.00 0.00 72.50 70.55 1ija s THR 145 CO 0.14 -0.25 0.83 1.21 -2.21 0.00 0.00 174.62 174.35 1ija n GLU 146 N 1.75 0.36 -4.08 7.08 2.13 -1.16 -1.96 120.64 124.76 1ija n GLU 146 Ca -0.20 -0.10 -0.13 0.00 0.66 0.00 0.00 57.16 57.39 1ija n GLU 146 Cb 0.56 -1.47 -0.05 0.00 0.27 0.00 0.00 31.44 30.75 1ija n GLU 146 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ija s VAL 147 N 1.88 0.00 -1.62 6.31 1.01 -1.26 -4.97 120.40 121.76 1ija s VAL 147 Ca 0.07 -1.59 0.13 0.00 0.00 0.00 0.00 61.98 60.58 1ija s VAL 147 Cb 0.03 -2.51 0.10 0.00 0.00 0.00 0.00 36.38 34.01 1ija s VAL 147 CO 0.00 0.00 0.91 2.29 0.00 0.00 0.00 175.10 178.30