#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 0.57 -1.32 0.03 0.74 -1.26 -5.07 119.66 113.36 1ija s GLN 2 Ca 0.00 1.36 -0.14 0.00 0.05 0.00 0.00 55.36 56.63 1ija s GLN 2 Cb 0.00 0.80 0.10 0.00 1.10 0.00 0.00 33.01 35.01 1ija s GLN 2 CO 0.00 -0.29 1.83 0.00 -0.55 0.00 0.00 175.29 176.28 1ija n ALA 3 N 5.44 4.50 -1.40 1.58 0.00 -1.26 -4.99 120.51 124.39 1ija n ALA 3 Ca -0.10 -4.04 -0.33 0.00 0.00 0.00 0.00 53.44 48.98 1ija n ALA 3 Cb 0.49 -3.34 0.07 0.00 0.00 0.00 0.00 19.45 16.67 1ija n ALA 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ija s LYS 4 N 2.61 2.48 0.00 0.00 -2.85 -1.26 -5.01 119.74 115.71 1ija s LYS 4 Ca 0.47 1.44 0.00 0.00 -1.00 0.00 0.00 55.97 56.88 1ija s LYS 4 Cb 0.06 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 33.93 1ija s LYS 4 CO 0.00 -1.51 0.00 -2.30 0.10 0.00 0.00 175.35 171.65 1ija n PRO 5 N -2.75 1.77 -3.31 1.78 -0.02 -1.26 -4.86 135.00 126.35 1ija n PRO 5 Ca 0.11 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 61.14 1ija n PRO 5 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.94 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 -0.11 3.00 -0.38 -0.52 0.74 -1.26 -5.04 119.66 116.08 1ija s GLN 6 Ca 0.00 -1.53 -0.23 0.00 0.05 0.00 0.00 55.36 53.66 1ija s GLN 6 Cb 0.00 -4.23 0.01 0.00 1.10 0.00 0.00 33.01 29.89 1ija s GLN 6 CO 0.00 -1.24 0.75 0.42 -0.55 0.00 0.00 175.29 174.67 1ija s ILE 7 N 1.74 4.75 -0.39 -2.34 1.01 -1.26 -4.98 121.20 119.72 1ija s ILE 7 Ca 0.04 0.71 -0.43 0.00 0.00 0.00 0.00 60.65 60.97 1ija s ILE 7 Cb -0.27 -4.21 -0.18 0.00 0.01 0.00 0.00 42.46 37.81 1ija s ILE 7 CO 0.05 -0.48 1.73 -2.65 0.00 0.00 0.00 174.94 173.59 1ija n PRO 8 N 6.41 0.59 0.22 2.79 -0.02 -1.26 -4.80 135.00 138.93 1ija n PRO 8 Ca 0.02 0.21 0.15 0.00 -2.02 0.00 0.00 63.50 61.86 1ija n PRO 8 Cb 0.48 -1.82 0.49 0.00 -0.02 0.00 0.00 33.50 32.63 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 6.62 0.00 -6.51 -0.52 1.79 -1.93 -3.42 116.57 112.60 1ija h LYS 9 Ca -0.42 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.50 1ija h LYS 9 Cb 1.35 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.93 1ija h LYS 9 CO 0.98 0.00 1.04 -0.51 -1.08 0.00 0.00 179.45 179.88 1ija s ASP 10 N -5.48 6.32 0.04 0.86 1.01 -1.26 -4.83 116.67 113.33 1ija s ASP 10 Ca 0.04 0.28 0.02 0.00 0.71 0.00 0.00 52.55 53.61 1ija s ASP 10 Cb 0.08 -2.55 0.13 0.00 1.01 0.00 0.00 42.92 41.59 1ija s ASP 10 CO 0.56 -1.56 1.00 0.29 0.21 0.00 0.00 175.17 175.67 1ija n LYS 11 N 8.46 0.02 -0.81 8.23 4.76 -1.26 -0.90 118.16 136.65 1ija n LYS 11 Ca 0.11 0.45 -0.11 0.00 -2.87 0.00 0.00 58.31 55.89 1ija n LYS 11 Cb 0.49 -1.63 0.17 0.00 -1.84 0.00 0.00 35.03 32.23 1ija n LYS 11 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1ija n SER 12 N -1.52 3.78 -3.78 4.39 3.41 -1.26 -4.77 113.62 113.87 1ija n SER 12 Ca -0.00 -3.01 -0.14 0.00 -0.26 0.00 0.00 58.87 55.45 1ija n SER 12 Cb 0.08 -0.71 -0.15 0.00 -0.26 0.00 0.00 64.21 63.17 1ija n SER 12 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ija s LYS 13 N -2.33 0.02 0.43 4.33 -0.14 -0.07 -5.13 119.74 116.85 1ija s LYS 13 Ca 0.40 0.24 -0.26 0.00 -1.36 0.00 0.00 55.97 54.99 1ija s LYS 13 Cb 0.33 -0.18 -0.09 0.00 -1.68 0.00 0.00 37.83 36.22 1ija s LYS 13 CO 0.09 -0.14 1.40 0.08 -0.76 0.00 0.00 175.35 176.02 1ija s VAL 14 N 0.94 2.20 -0.10 3.17 1.01 -1.26 -4.41 120.40 121.95 1ija s VAL 14 Ca -0.08 0.18 0.20 0.00 0.00 0.00 0.00 61.98 62.29 1ija s VAL 14 Cb -0.10 -3.11 -0.30 0.00 0.00 0.00 0.00 36.38 32.87 1ija s VAL 14 CO -0.04 0.03 0.35 0.00 0.00 0.00 0.00 175.10 175.44 1ija n ALA 15 N -0.07 2.31 -3.00 5.51 0.00 -0.62 -4.86 120.51 119.78 1ija n ALA 15 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1ija n ALA 15 Cb 0.42 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 1.44 1.20 3.20 0.00 0.00 -1.25 -4.67 105.19 105.11 1ija n GLY 16 Ca -0.15 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.85 -0.50 0.04 1.61 1.51 0.04 -2.80 117.35 114.38 1ija s TYR 17 Ca 0.00 1.11 -0.09 0.00 -1.01 0.00 0.00 57.07 57.08 1ija s TYR 17 Cb 0.00 0.19 -0.05 0.00 -0.11 0.00 0.00 41.96 41.99 1ija s TYR 17 CO 0.00 -0.30 0.34 -1.50 -1.11 0.00 0.00 175.55 172.98 1ija s ILE 18 N 1.26 5.18 -0.06 2.71 2.07 -0.64 -0.83 121.20 130.88 1ija s ILE 18 Ca -0.09 0.37 -0.08 0.00 -1.41 0.00 0.00 60.65 59.44 1ija s ILE 18 Cb -0.08 -3.61 0.02 0.00 0.13 0.00 0.00 42.46 38.91 1ija s ILE 18 CO -0.10 0.36 0.21 -1.61 -1.91 0.00 0.00 174.94 171.89 1ija s GLU 19 N -1.74 0.31 -0.15 3.50 2.02 -0.93 -2.40 118.70 119.32 1ija s GLU 19 Ca 0.29 0.17 -0.09 0.00 0.02 0.00 0.00 54.97 55.36 1ija s GLU 19 Cb -0.14 0.15 0.05 0.00 0.10 0.00 0.00 34.13 34.29 1ija s GLU 19 CO 0.16 -0.05 0.36 0.42 0.02 0.00 0.00 175.26 176.18 1ija s ILE 20 N -0.20 -0.02 -0.08 -1.63 1.01 -0.49 -1.76 121.20 118.02 1ija s ILE 20 Ca -0.03 0.08 -0.27 0.00 0.00 0.00 0.00 60.65 60.44 1ija s ILE 20 Cb -0.03 -0.54 -0.24 0.00 0.01 0.00 0.00 42.46 41.67 1ija s ILE 20 CO 0.01 0.03 0.98 1.55 0.00 0.00 0.00 174.94 177.51 1ija h PRO 21 N 6.80 0.05 -0.82 2.79 0.13 -1.84 0.35 132.00 139.45 1ija h PRO 21 Ca -0.35 -0.06 0.24 0.00 -0.87 0.00 0.00 66.00 64.96 1ija h PRO 21 Cb 1.18 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1ija h PRO 21 CO 0.31 0.84 0.59 -0.44 -0.23 0.00 0.00 178.00 179.08 1ija h ASP 22 N -0.72 0.00 -0.18 1.44 3.32 -1.98 0.63 116.42 118.94 1ija h ASP 22 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ija h ASP 22 Cb 0.87 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1ija h ASP 22 CO 0.02 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 1ija n ALA 23 N -2.70 2.40 -2.52 3.45 0.00 -1.22 -4.75 120.51 115.17 1ija n ALA 23 Ca 0.17 -0.82 -0.04 0.00 0.00 0.00 0.00 53.44 52.75 1ija n ALA 23 Cb 0.89 -0.57 -0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 0.92 -1.91 -4.87 0.00 5.68 0.22 -4.73 116.55 111.86 1ija n ASP 24 Ca 0.12 0.38 -0.33 0.00 -0.50 0.00 0.00 54.79 54.45 1ija n ASP 24 Cb 0.43 -1.72 -0.05 0.00 -1.14 0.00 0.00 41.12 38.64 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 -2.21 5.05 -0.42 2.12 1.01 -0.39 -4.94 121.20 121.41 1ija s ILE 25 Ca 0.02 0.38 0.02 0.00 0.00 0.00 0.00 60.65 61.07 1ija s ILE 25 Cb -0.01 -3.64 0.19 0.00 0.01 0.00 0.00 42.46 39.01 1ija s ILE 25 CO 0.02 0.12 0.82 -1.59 0.00 0.00 0.00 174.94 174.31 1ija s LYS 26 N -2.35 0.71 0.13 2.79 -2.85 -1.26 -1.40 119.74 115.51 1ija s LYS 26 Ca 0.39 -0.52 0.04 0.00 -1.00 0.00 0.00 55.97 54.88 1ija s LYS 26 Cb -0.13 0.01 -0.04 0.00 -2.06 0.00 0.00 37.83 35.61 1ija s LYS 26 CO 0.21 -0.93 -0.09 -1.21 0.10 0.00 0.00 175.35 173.43 1ija s GLU 27 N 1.35 0.97 0.66 1.78 2.02 -1.01 -4.98 118.70 119.50 1ija s GLU 27 Ca 0.22 -1.38 -0.10 0.00 0.02 0.00 0.00 54.97 53.73 1ija s GLU 27 Cb 0.02 -0.51 0.00 0.00 0.10 0.00 0.00 34.13 33.74 1ija s GLU 27 CO -0.08 0.05 1.04 -1.25 0.02 0.00 0.00 175.26 175.05 1ija s PRO 28 N -3.64 3.02 -0.04 0.39 0.04 -1.26 -1.63 135.00 131.88 1ija s PRO 28 Ca 0.14 0.43 0.02 0.00 0.04 0.00 0.00 61.00 61.63 1ija s PRO 28 Cb 0.02 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1ija s PRO 28 CO -0.01 -0.87 -0.10 0.14 0.04 0.00 0.00 177.00 176.20 1ija s VAL 29 N -3.25 0.92 0.22 -0.36 -7.23 -1.12 -3.35 120.40 106.23 1ija s VAL 29 Ca 0.57 -0.39 -0.16 0.00 -1.81 0.00 0.00 61.98 60.18 1ija s VAL 29 Cb -0.11 -0.84 -0.08 0.00 0.56 0.00 0.00 36.38 35.91 1ija s VAL 29 CO 0.51 0.30 0.66 -0.31 -0.31 0.00 0.00 175.10 175.95 1ija s TYR 30 N 0.48 3.56 -1.03 2.82 2.02 0.22 -1.58 117.35 123.84 1ija s TYR 30 Ca -0.09 1.22 -0.21 0.00 -0.37 0.00 0.00 57.07 57.62 1ija s TYR 30 Cb -0.13 -2.50 0.07 0.00 -0.40 0.00 0.00 41.96 39.01 1ija s TYR 30 CO 0.02 0.31 1.40 -1.25 -1.57 0.00 0.00 175.55 174.46 1ija s PRO 31 N -2.24 3.64 0.02 -1.71 0.04 -1.26 -2.69 135.00 130.80 1ija s PRO 31 Ca 0.44 -1.39 -0.02 0.00 0.04 0.00 0.00 61.00 60.07 1ija s PRO 31 Cb -0.14 -5.26 0.01 0.00 0.04 0.00 0.00 34.50 29.14 1ija s PRO 31 CO 0.20 -2.10 0.10 0.41 0.04 0.00 0.00 177.00 175.65 1ija n GLY 32 N 6.35 1.19 3.64 0.56 0.00 -1.26 -4.72 105.19 110.95 1ija n GLY 32 Ca 0.32 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 4.13 -0.78 1.61 0.04 -1.26 -3.13 135.00 133.60 1ija s PRO 33 Ca 0.02 1.11 -0.13 0.00 0.04 0.00 0.00 61.00 62.04 1ija s PRO 33 Cb -0.00 -3.70 -0.23 0.00 0.04 0.00 0.00 34.50 30.61 1ija s PRO 33 CO 0.00 -0.76 2.01 0.00 0.04 0.00 0.00 177.00 178.30 1ija n ALA 34 N 6.55 0.77 -2.68 8.56 0.00 -1.07 -4.85 120.51 127.79 1ija n ALA 34 Ca 0.11 -1.09 -0.26 0.00 0.00 0.00 0.00 53.44 52.20 1ija n ALA 34 Cb 0.47 -2.34 -0.07 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 4.70 3.76 0.07 0.00 -4.23 -1.26 -5.02 115.64 113.66 1ija s THR 35 Ca 0.96 -1.48 -0.17 0.00 -1.18 0.00 0.00 61.69 59.82 1ija s THR 35 Cb -0.48 -2.92 -0.11 0.00 1.34 0.00 0.00 72.50 70.33 1ija s THR 35 CO 0.33 -0.16 1.38 1.55 -0.54 0.00 0.00 174.62 177.18 1ija h PRO 36 N 2.49 0.55 0.00 3.99 0.13 -1.98 -1.61 132.00 135.58 1ija h PRO 36 Ca -0.47 -0.30 -0.02 0.00 -0.87 0.00 0.00 66.00 64.35 1ija h PRO 36 Cb 1.21 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ija h PRO 36 CO 0.59 0.89 -0.09 1.05 -0.23 0.00 0.00 178.00 180.20 1ija h GLU 37 N 0.24 0.00 0.00 0.86 4.11 -1.98 -2.33 114.58 115.48 1ija h GLU 37 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1ija h GLU 37 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1ija h GLU 37 CO 0.06 0.09 -0.15 0.37 0.07 0.00 0.00 179.01 179.45 1ija h GLN 38 N 0.00 0.00 0.00 1.06 -0.00 -1.90 -3.30 115.11 110.97 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 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.70 1ija h GLN 38 CO 0.01 0.00 0.32 1.28 0.00 0.00 0.00 178.83 180.44 1ija n LEU 39 N -4.03 0.11 0.26 -2.39 4.77 -0.62 0.53 117.00 115.63 1ija n LEU 39 Ca -0.02 0.34 0.10 0.00 -0.03 0.00 0.00 56.01 56.39 1ija n LEU 39 Cb 0.08 -0.30 0.69 0.00 -2.33 0.00 0.00 43.42 41.57 1ija n LEU 39 CO 0.03 -0.37 1.02 0.78 -1.33 0.00 0.00 177.39 177.52 1ija h ASN 40 N 0.00 0.00 0.47 -1.43 -0.26 -1.49 0.11 115.58 112.97 1ija h ASN 40 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1ija h ASN 40 Cb 0.64 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1ija h ASN 40 CO 0.00 0.07 -0.62 0.54 -1.06 0.00 0.00 177.43 176.37 1ija n ARG 41 N -4.12 0.05 0.00 0.81 1.74 0.19 -5.04 116.66 110.29 1ija n ARG 41 Ca -0.03 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1ija n ARG 41 Cb 0.16 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.47 -0.61 3.75 -0.13 0.00 0.37 -5.10 105.19 104.94 1ija n GLY 42 Ca 0.05 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.78 3.18 0.10 1.61 1.01 -1.21 -4.27 120.40 117.03 1ija s VAL 43 Ca 0.00 -1.65 -0.24 0.00 0.00 0.00 0.00 61.98 60.09 1ija s VAL 43 Cb 0.00 -3.02 0.06 0.00 0.00 0.00 0.00 36.38 33.43 1ija s VAL 43 CO 0.00 -0.20 0.59 -0.94 0.00 0.00 0.00 175.10 174.55 1ija s SER 44 N -3.86 -0.54 1.32 3.32 1.04 -1.18 0.72 113.70 114.51 1ija s SER 44 Ca 0.38 0.15 -0.19 0.00 0.48 0.00 0.00 55.95 56.76 1ija s SER 44 Cb -0.03 0.56 0.31 0.00 0.10 0.00 0.00 66.02 66.96 1ija s SER 44 CO 0.23 -0.85 0.78 0.49 0.98 0.00 0.00 173.24 174.87 1ija n PHE 45 N 0.02 -2.72 1.37 5.02 3.72 -1.09 -2.00 117.46 121.76 1ija n PHE 45 Ca -0.18 -0.46 0.14 0.00 -0.05 0.00 0.00 57.45 56.90 1ija n PHE 45 Cb 0.63 -1.47 0.47 0.00 -0.94 0.00 0.00 39.48 38.17 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 -5.34 2.87 -3.38 4.37 0.00 0.61 -2.61 120.51 117.03 1ija n ALA 46 Ca 0.08 -0.39 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 1ija n ALA 46 Cb 0.55 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.33 0.73 0.44 0.00 2.02 -1.25 -4.12 118.70 114.19 1ija s GLU 47 Ca 0.30 0.29 0.12 0.00 0.02 0.00 0.00 54.97 55.70 1ija s GLU 47 Cb 0.20 0.34 0.98 0.00 0.10 0.00 0.00 34.13 35.75 1ija s GLU 47 CO 0.45 -0.17 2.02 1.49 0.02 0.00 0.00 175.26 179.07 1ija h GLU 48 N 4.27 0.14 -0.18 1.61 4.81 -1.88 -1.93 114.58 121.43 1ija h GLU 48 Ca -0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1ija h GLU 48 Cb 1.17 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1ija h GLU 48 CO 0.31 0.22 0.00 0.27 -0.73 0.00 0.00 179.01 179.08 1ija n ASN 49 N -4.38 1.27 -4.73 1.04 0.23 -1.26 -4.57 115.26 102.86 1ija n ASN 49 Ca -0.01 -1.80 -0.35 0.00 -0.53 0.00 0.00 54.58 51.88 1ija n ASN 49 Cb 0.19 -0.12 0.08 0.00 -2.08 0.00 0.00 39.78 37.85 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1ija s GLU 50 N -1.76 2.36 0.13 -3.83 -6.30 -0.73 -5.00 118.70 103.57 1ija s GLU 50 Ca 0.24 1.89 -0.08 0.00 -2.50 0.00 0.00 54.97 54.52 1ija s GLU 50 Cb 0.13 -1.84 -0.01 0.00 0.00 0.00 0.00 34.13 32.40 1ija s GLU 50 CO 0.19 -1.70 0.22 -1.54 0.02 0.00 0.00 175.26 172.45 1ija s SER 51 N -1.74 0.11 0.00 -1.70 1.04 -1.26 -4.99 113.70 105.16 1ija s SER 51 Ca 0.78 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1ija s SER 51 Cb -0.32 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1ija s SER 51 CO 0.42 -0.81 0.70 0.18 0.98 0.00 0.00 173.24 174.71 1ija n LEU 52 N -0.14 0.05 0.00 2.42 7.99 -1.26 -2.13 117.00 123.92 1ija n LEU 52 Ca -0.10 -0.02 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 1ija n LEU 52 Cb 0.63 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.91 1ija n LEU 52 CO 0.24 0.01 0.07 0.47 -1.51 0.00 0.00 177.39 176.68 1ija n ASP 53 N -0.46 0.30 -4.62 -1.43 9.92 -1.26 -5.01 116.55 113.99 1ija n ASP 53 Ca 0.00 -0.62 -0.43 0.00 -0.53 0.00 0.00 54.79 53.21 1ija n ASP 53 Cb 0.01 0.50 -0.03 0.00 -0.64 0.00 0.00 41.12 40.96 1ija n ASP 53 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ija n ASP 54 N -0.50 3.59 0.29 -2.24 2.03 -0.91 -4.75 116.55 114.06 1ija n ASP 54 Ca 0.00 0.47 0.05 0.00 0.52 0.00 0.00 54.79 55.84 1ija n ASP 54 Cb 0.02 -1.54 0.29 0.00 -0.72 0.00 0.00 41.12 39.16 1ija n ASP 54 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1ija h GLN 55 N 13.32 0.00 -3.35 -0.67 -0.00 -1.91 -3.17 115.11 119.33 1ija h GLN 55 Ca -0.44 0.00 -0.58 0.00 -0.00 0.00 0.00 58.65 57.63 1ija h GLN 55 Cb 1.24 0.00 -0.40 0.00 -0.00 0.00 0.00 27.48 28.32 1ija h GLN 55 CO 0.95 0.00 -0.76 -0.80 -0.00 0.00 0.00 178.83 178.22 1ija s ASN 56 N -3.39 3.88 -0.37 0.06 -0.87 -1.26 -2.37 114.94 110.62 1ija s ASN 56 Ca -0.01 -1.70 -0.16 0.00 -1.57 0.00 0.00 52.86 49.42 1ija s ASN 56 Cb 0.03 -0.78 0.00 0.00 -0.02 0.00 0.00 41.25 40.48 1ija s ASN 56 CO 0.10 -0.40 0.40 -0.63 -2.57 0.00 0.00 177.10 174.00 1ija s ILE 57 N 1.55 5.12 -0.24 0.60 1.01 -1.10 -4.90 121.20 123.25 1ija s ILE 57 Ca 0.11 -0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 1ija s ILE 57 Cb -0.18 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 1ija s ILE 57 CO -0.23 -0.23 0.02 -0.44 0.00 0.00 0.00 174.94 174.06 1ija s SER 58 N 1.76 4.78 0.33 3.58 0.01 -1.25 0.16 113.70 123.07 1ija s SER 58 Ca 0.12 -0.28 0.08 0.00 1.31 0.00 0.00 55.95 57.18 1ija s SER 58 Cb -0.17 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.19 1ija s SER 58 CO 0.13 -0.02 0.25 -0.63 0.41 0.00 0.00 173.24 173.37 1ija s ILE 59 N 1.53 3.54 -0.05 1.44 1.01 -0.97 0.22 121.20 127.92 1ija s ILE 59 Ca 0.06 -1.44 -0.00 0.00 0.00 0.00 0.00 60.65 59.27 1ija s ILE 59 Cb -0.15 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.18 1ija s ILE 59 CO 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 174.94 174.74 1ija s ALA 60 N -2.31 0.58 0.04 9.38 0.00 -0.85 -0.70 121.76 127.90 1ija s ALA 60 Ca 0.39 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.33 1ija s ALA 60 Cb -0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1ija s ALA 60 CO 0.26 -0.26 -0.05 0.20 0.00 0.00 0.00 175.76 175.91 1ija s GLY 61 N 1.50 0.39 1.17 0.00 0.00 -1.03 -3.13 107.32 106.22 1ija s GLY 61 Ca -0.02 -0.80 -0.20 0.00 0.00 0.00 0.00 44.72 43.70 1ija s GLY 61 CO -0.03 -0.87 1.18 1.42 0.00 0.00 0.00 173.10 174.80 1ija n HIS 62 N 1.19 -3.94 -3.04 1.90 8.25 -1.26 -0.58 115.22 117.75 1ija n HIS 62 Ca -0.21 -1.06 0.00 0.00 -0.26 0.00 0.00 57.72 56.20 1ija n HIS 62 Cb 0.56 -1.12 -0.00 0.00 1.12 0.00 0.00 29.99 30.55 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 -3.28 -0.79 -0.18 1.59 -1.32 -1.19 0.26 115.64 110.73 1ija s THR 63 Ca 0.73 -0.12 -0.22 0.00 -1.21 0.00 0.00 61.69 60.87 1ija s THR 63 Cb -0.06 0.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.91 1ija s THR 63 CO 0.55 0.00 0.70 -0.36 -2.21 0.00 0.00 174.62 173.30 1ija s PHE 64 N 1.73 3.39 0.35 9.09 0.40 -1.26 -4.82 117.98 126.87 1ija s PHE 64 Ca 0.18 1.04 0.06 0.00 -0.60 0.00 0.00 56.93 57.61 1ija s PHE 64 Cb -0.01 -2.87 0.66 0.00 0.51 0.00 0.00 43.02 41.30 1ija s PHE 64 CO -0.09 -0.19 1.90 0.82 0.70 0.00 0.00 175.22 178.36 1ija h ILE 65 N 5.17 1.19 -0.09 0.64 2.04 -1.97 -1.87 117.51 122.62 1ija h ILE 65 Ca -0.31 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1ija h ILE 65 Cb 1.14 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1ija h ILE 65 CO 0.79 0.25 0.00 -0.90 0.00 0.00 0.00 178.15 178.30 1ija n ASP 66 N -4.29 0.57 -3.28 1.72 5.75 -1.26 -4.16 116.55 111.60 1ija n ASP 66 Ca 0.01 -1.84 -0.25 0.00 -0.01 0.00 0.00 54.79 52.70 1ija n ASP 66 Cb 0.24 -0.06 -0.08 0.00 -1.03 0.00 0.00 41.12 40.18 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 -0.26 0.44 0.00 0.11 5.12 -0.70 -4.98 116.66 116.39 1ija n ARG 67 Ca 0.07 -3.15 0.00 0.00 -1.93 0.00 0.00 57.85 52.84 1ija n ARG 67 Cb 0.11 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 1ija n ARG 67 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1ija n PRO 68 N 2.17 0.00 -3.08 5.56 -0.02 -1.26 -1.96 135.00 136.41 1ija n PRO 68 Ca 0.25 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.57 1ija n PRO 68 Cb 0.51 -1.22 -0.00 0.00 -0.02 0.00 0.00 33.50 32.77 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 -0.43 0.28 -3.64 2.55 0.23 -1.26 -4.44 115.26 108.55 1ija n ASN 69 Ca 0.00 -3.11 -0.29 0.00 -0.53 0.00 0.00 54.58 50.65 1ija n ASN 69 Cb 0.00 -0.16 -0.14 0.00 -2.08 0.00 0.00 39.78 37.40 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 -1.97 1.29 0.00 -2.53 5.04 -0.83 -5.02 117.35 113.33 1ija s TYR 70 Ca 0.36 -1.68 0.00 0.00 -2.44 0.00 0.00 57.07 53.31 1ija s TYR 70 Cb 0.35 -1.43 0.00 0.00 0.35 0.00 0.00 41.96 41.23 1ija s TYR 70 CO -0.07 -0.84 0.00 1.04 -1.34 0.00 0.00 175.55 174.34 1ija n GLN 71 N 4.50 0.00 -0.67 4.97 1.13 -1.26 -2.20 117.38 123.85 1ija n GLN 71 Ca 0.02 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.00 1ija n GLN 71 Cb 0.39 0.00 0.15 0.00 0.11 0.00 0.00 30.24 30.89 1ija n GLN 71 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1ija n PHE 72 N 6.53 1.65 -0.10 1.08 7.35 0.74 -4.39 117.46 130.33 1ija n PHE 72 Ca 0.00 -1.03 -0.11 0.00 -0.76 0.00 0.00 57.45 55.55 1ija n PHE 72 Cb 0.00 -0.57 0.02 0.00 0.35 0.00 0.00 39.48 39.29 1ija n PHE 72 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1ija h THR 73 N 1.17 1.28 0.00 -2.13 2.02 -1.34 -3.33 112.91 110.58 1ija h THR 73 Ca 0.26 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1ija h THR 73 Cb 1.89 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 1ija h THR 73 CO 0.55 0.50 -1.28 0.59 0.37 0.00 0.00 175.52 176.25 1ija n ASN 74 N -4.07 1.66 0.12 4.18 4.13 -1.26 -4.43 115.26 115.58 1ija n ASN 74 Ca -0.01 -0.24 0.20 0.00 1.68 0.00 0.00 54.58 56.21 1ija n ASN 74 Cb 0.51 1.40 0.75 0.00 -1.54 0.00 0.00 39.78 40.91 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 7.12 -1.79 2.14 115.31 126.20 1ija h LEU 75 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1ija h LEU 75 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1ija h LEU 75 CO 0.00 0.00 -0.13 2.29 -0.13 0.00 0.00 178.44 180.47 1ija n LYS 76 N -3.65 0.24 0.15 1.25 2.85 -1.26 -2.96 118.16 114.78 1ija n LYS 76 Ca 0.06 0.17 0.13 0.00 -1.05 0.00 0.00 58.31 57.62 1ija n LYS 76 Cb 0.58 -1.75 0.36 0.00 -0.65 0.00 0.00 35.03 33.58 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 2.57 1.00 -3.00 0.58 0.00 0.33 -3.45 119.26 117.29 1ija h ALA 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ija h ALA 77 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ija h ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1ija n ALA 78 N -1.89 0.00 -3.81 0.00 0.00 -1.13 -4.93 120.51 108.74 1ija n ALA 78 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.49 1ija n ALA 78 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.60 0.58 0.56 0.00 -2.85 -1.26 -5.05 119.74 111.12 1ija s LYS 79 Ca 0.00 -0.35 -0.18 0.00 -1.00 0.00 0.00 55.97 54.44 1ija s LYS 79 Cb 0.00 0.18 -0.09 0.00 -2.06 0.00 0.00 37.83 35.86 1ija s LYS 79 CO 0.00 -0.27 0.51 1.63 0.10 0.00 0.00 175.35 177.32 1ija n LYS 80 N -0.68 0.50 0.00 1.78 4.76 -1.26 -0.33 118.16 122.93 1ija n LYS 80 Ca -0.03 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1ija n LYS 80 Cb 0.61 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1ija n LYS 80 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ija n GLY 81 N 1.80 2.20 3.56 0.72 0.00 0.18 -4.90 105.19 108.75 1ija n GLY 81 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1ija n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ija s SER 82 N -3.16 4.35 0.88 1.61 0.01 0.56 -4.52 113.70 113.43 1ija s SER 82 Ca 0.00 0.35 -0.11 0.00 1.31 0.00 0.00 55.95 57.50 1ija s SER 82 Cb 0.00 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.82 1ija s SER 82 CO 0.00 -3.27 1.10 0.00 0.41 0.00 0.00 173.24 171.48 1ija s MET 83 N 8.29 1.34 0.26 12.44 0.23 -1.26 -2.96 119.30 137.65 1ija s MET 83 Ca 0.89 1.16 0.02 0.00 -1.03 0.00 0.00 55.69 56.73 1ija s MET 83 Cb -0.14 -1.79 -0.03 0.00 -1.53 0.00 0.00 34.83 31.34 1ija s MET 83 CO 0.14 -2.28 0.22 0.14 -2.03 0.00 0.00 175.02 171.22 1ija s VAL 84 N -2.80 0.00 -0.21 5.16 -7.23 -1.16 -4.67 120.40 109.49 1ija s VAL 84 Ca 0.64 -1.96 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1ija s VAL 84 Cb -0.20 -2.50 0.09 0.00 0.56 0.00 0.00 36.38 34.34 1ija s VAL 84 CO 0.58 0.00 0.21 -0.31 -0.31 0.00 0.00 175.10 175.27 1ija s TYR 85 N -3.80 -0.23 -0.37 2.82 1.51 -0.72 -2.92 117.35 113.63 1ija s TYR 85 Ca 0.39 0.10 -0.17 0.00 -1.01 0.00 0.00 57.07 56.37 1ija s TYR 85 Cb 0.04 -0.42 0.00 0.00 -0.11 0.00 0.00 41.96 41.48 1ija s TYR 85 CO 0.19 -0.63 0.47 0.12 -1.11 0.00 0.00 175.55 174.59 1ija s PHE 86 N 2.31 3.17 0.02 2.71 5.36 -0.76 -2.18 117.98 128.61 1ija s PHE 86 Ca 0.07 -0.03 -0.08 0.00 -0.96 0.00 0.00 56.93 55.93 1ija s PHE 86 Cb -0.16 -2.90 -0.05 0.00 -0.34 0.00 0.00 43.02 39.58 1ija s PHE 86 CO -0.14 -0.58 0.31 0.15 -1.46 0.00 0.00 175.22 173.49 1ija s LYS 87 N 2.28 3.64 -0.38 10.12 1.02 -0.01 -2.40 119.74 134.01 1ija s LYS 87 Ca 0.16 0.01 0.02 0.00 0.02 0.00 0.00 55.97 56.18 1ija s LYS 87 Cb -0.16 -3.07 0.16 0.00 -0.52 0.00 0.00 37.83 34.24 1ija s LYS 87 CO 0.14 0.63 0.32 0.08 -0.92 0.00 0.00 175.35 175.59 1ija s VAL 88 N -1.31 0.02 0.00 3.17 1.01 -0.37 -0.78 120.40 122.14 1ija s VAL 88 Ca 0.28 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.48 1ija s VAL 88 Cb -0.14 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1ija s VAL 88 CO 0.16 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 174.96 1ija n GLY 89 N 3.67 2.89 1.45 4.51 0.00 -1.26 -2.06 105.19 114.39 1ija n GLY 89 Ca 0.18 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 1ija n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ija n ASN 90 N 4.05 4.88 -4.03 1.61 4.13 -1.26 -4.80 115.26 119.84 1ija n ASN 90 Ca 0.00 -2.43 -0.10 0.00 1.68 0.00 0.00 54.58 53.73 1ija n ASN 90 Cb 0.00 -0.95 -0.11 0.00 -1.54 0.00 0.00 39.78 37.18 1ija n ASN 90 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ija s GLU 91 N -0.34 0.43 -0.12 3.52 8.01 -0.87 -5.16 118.70 124.17 1ija s GLU 91 Ca 0.06 -0.77 -0.18 0.00 0.01 0.00 0.00 54.97 54.09 1ija s GLU 91 Cb 0.05 0.01 0.04 0.00 -4.31 0.00 0.00 34.13 29.92 1ija s GLU 91 CO 0.00 -0.03 0.45 0.99 0.01 0.00 0.00 175.26 176.68 1ija s THR 92 N -1.91 0.01 0.23 3.63 2.01 -1.26 -1.24 115.64 117.11 1ija s THR 92 Ca -0.10 -0.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.73 1ija s THR 92 Cb -0.07 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 1ija s THR 92 CO -0.02 -0.07 0.27 0.00 -0.69 0.00 0.00 174.62 174.11 1ija s ARG 93 N -0.34 1.36 0.09 4.92 3.03 -1.01 -5.02 118.95 121.99 1ija s ARG 93 Ca -0.05 -1.52 -0.04 0.00 2.03 0.00 0.00 55.73 56.15 1ija s ARG 93 Cb -0.03 0.35 -0.03 0.00 -1.03 0.00 0.00 34.95 34.21 1ija s ARG 93 CO 0.03 -0.50 0.09 -1.59 -1.13 0.00 0.00 175.30 172.20 1ija s LYS 94 N -4.05 0.82 0.20 3.89 -2.85 -1.26 -1.83 119.74 114.66 1ija s LYS 94 Ca 0.33 -1.20 0.04 0.00 -1.00 0.00 0.00 55.97 54.15 1ija s LYS 94 Cb 0.04 0.28 -0.02 0.00 -2.06 0.00 0.00 37.83 36.07 1ija s LYS 94 CO 0.12 -0.23 0.16 0.66 0.10 0.00 0.00 175.35 176.16 1ija n TYR 95 N -0.03 -0.43 -3.69 1.78 4.02 -1.15 -4.18 117.16 113.49 1ija n TYR 95 Ca -0.11 -1.63 -0.27 0.00 -0.01 0.00 0.00 57.90 55.88 1ija n TYR 95 Cb 0.62 0.16 -0.17 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 -2.80 0.41 -0.55 -0.72 2.20 -0.80 -3.00 119.74 114.48 1ija s LYS 96 Ca 0.22 -0.26 -0.31 0.00 -0.36 0.00 0.00 55.97 55.26 1ija s LYS 96 Cb 0.01 -1.93 -0.13 0.00 -1.51 0.00 0.00 37.83 34.27 1ija s LYS 96 CO 0.16 -0.63 2.38 -0.12 -0.36 0.00 0.00 175.35 176.78 1ija n MET 97 N 5.15 0.79 -2.15 4.03 0.00 -1.15 -2.72 117.12 121.06 1ija n MET 97 Ca -0.08 0.13 0.01 0.00 -0.00 0.00 0.00 57.70 57.76 1ija n MET 97 Cb 0.48 -2.51 0.04 0.00 0.00 0.00 0.00 33.22 31.22 1ija n MET 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1ija n THR 98 N 7.51 0.55 -3.65 1.12 -1.04 -1.19 0.50 114.28 118.08 1ija n THR 98 Ca 0.46 -1.74 -0.01 0.00 -2.04 0.00 0.00 64.05 60.72 1ija n THR 98 Cb 0.27 1.09 -0.06 0.00 -1.82 0.00 0.00 70.33 69.81 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 -2.60 -0.29 0.01 8.00 0.15 -0.94 -4.83 113.70 113.20 1ija s SER 99 Ca 0.25 0.48 0.01 0.00 0.70 0.00 0.00 55.95 57.39 1ija s SER 99 Cb 0.33 1.00 -0.01 0.00 -1.71 0.00 0.00 66.02 65.63 1ija s SER 99 CO -0.09 -0.08 -0.03 -0.63 1.20 0.00 0.00 173.24 173.61 1ija s ILE 100 N 1.00 0.19 -0.02 6.45 1.01 -1.26 0.73 121.20 129.29 1ija s ILE 100 Ca -0.06 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1ija s ILE 100 Cb -0.03 -0.24 0.00 0.00 0.01 0.00 0.00 42.46 42.20 1ija s ILE 100 CO -0.12 -0.19 0.56 0.54 0.00 0.00 0.00 174.94 175.73 1ija n ARG 101 N 2.36 -0.56 -0.30 2.79 3.00 -1.08 -4.76 116.66 118.11 1ija n ARG 101 Ca -0.17 -0.62 -0.03 0.00 -0.01 0.00 0.00 57.85 57.02 1ija n ARG 101 Cb 0.57 -1.00 -0.04 0.00 0.00 0.00 0.00 32.46 31.99 1ija n ARG 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ija n ASP 102 N -0.04 2.08 0.00 0.55 2.03 0.22 -1.20 116.55 120.19 1ija n ASP 102 Ca 0.00 -1.73 0.00 0.00 0.52 0.00 0.00 54.79 53.58 1ija n ASP 102 Cb 0.03 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 1ija n ASP 102 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1ija n VAL 103 N 2.35 0.00 -2.71 5.18 3.14 -1.26 -4.86 118.33 120.17 1ija n VAL 103 Ca 0.09 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.40 1ija n VAL 103 Cb 0.29 0.00 0.09 0.00 -1.06 0.00 0.00 33.84 33.16 1ija n VAL 103 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1ija n LYS 104 N -0.08 0.65 -0.04 1.45 3.00 -0.34 -5.04 118.16 117.76 1ija n LYS 104 Ca 0.00 -1.44 -0.14 0.00 -0.00 0.00 0.00 58.31 56.73 1ija n LYS 104 Cb 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 35.03 34.15 1ija n LYS 104 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1ija h PRO 105 N 2.90 0.05 0.00 1.64 0.13 -1.78 -3.47 132.00 131.47 1ija h PRO 105 Ca -0.18 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1ija h PRO 105 Cb 1.13 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ija h PRO 105 CO 0.09 0.86 0.00 0.25 -0.23 0.00 0.00 178.00 178.97 1ija n THR 106 N -4.63 0.00 0.00 1.56 -2.24 -1.26 -4.23 114.28 103.48 1ija n THR 106 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1ija n THR 106 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.35 0.00 -0.83 3.42 8.00 -1.26 -4.49 116.55 121.74 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 0.54 0.00 2.53 0.24 -1.26 -3.11 118.33 117.27 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 -0.74 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 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 0.42 0.00 0.26 7.63 0.00 -1.26 -4.86 105.19 107.38 1ija n GLY 109 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.36 -2.41 1.61 2.07 -1.71 -3.34 116.25 112.82 1ija h VAL 110 Ca 0.00 -0.63 -0.59 0.00 0.82 0.00 0.00 66.70 66.30 1ija h VAL 110 Cb 0.00 1.47 -0.38 0.00 -1.52 0.00 0.00 31.29 30.85 1ija h VAL 110 CO 0.00 0.10 -0.95 0.18 0.02 0.00 0.00 177.57 176.92 1ija n LEU 111 N -3.37 -0.26 0.00 2.57 4.77 -1.26 -4.74 117.00 114.71 1ija n LEU 111 Ca -0.01 -4.43 0.00 0.00 -0.03 0.00 0.00 56.01 51.54 1ija n LEU 111 Cb 0.29 0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1ija n LEU 111 CO 0.29 1.85 0.00 0.47 -1.33 0.00 0.00 177.39 178.68 1ija n ASP 112 N 2.77 0.00 -0.57 -1.43 8.00 -1.25 -4.99 116.55 119.08 1ija n ASP 112 Ca 0.29 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.79 1ija n ASP 112 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1ija n ASP 112 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1ija n GLU 113 N -0.85 0.00 -0.60 -1.24 0.28 -1.26 -4.96 120.64 112.01 1ija n GLU 113 Ca 0.00 -0.01 -0.03 0.00 -0.16 0.00 0.00 57.16 56.96 1ija n GLU 113 Cb 0.00 0.47 0.19 0.00 1.43 0.00 0.00 31.44 33.52 1ija n GLU 113 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1ija n GLN 114 N -0.00 2.69 0.00 3.44 7.27 -1.26 -4.39 117.38 125.13 1ija n GLN 114 Ca -0.00 -1.80 0.00 0.00 0.07 0.00 0.00 57.00 55.27 1ija n GLN 114 Cb 0.27 -1.85 0.00 0.00 2.41 0.00 0.00 30.24 31.07 1ija n GLN 114 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1ija n LYS 115 N 0.06 0.00 0.00 3.69 2.85 -1.26 -4.73 118.16 118.76 1ija n LYS 115 Ca 0.23 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.75 1ija n LYS 115 Cb 0.95 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 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 -1.25 0.43 1.01 2.58 0.00 -1.26 -3.61 105.19 103.09 1ija n GLY 116 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1ija n GLY 116 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ija n LYS 117 N 0.00 0.00 -4.50 1.61 2.85 -1.26 -5.13 118.16 111.73 1ija n LYS 117 Ca 0.00 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.00 1ija n LYS 117 Cb 0.00 -0.17 -0.10 0.00 -0.65 0.00 0.00 35.03 34.11 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 -3.18 3.94 1.00 -5.58 1.01 -1.24 -5.11 116.67 107.52 1ija s ASP 118 Ca 0.00 -1.23 -0.17 0.00 0.71 0.00 0.00 52.55 51.86 1ija s ASP 118 Cb 0.00 -0.41 -0.05 0.00 1.01 0.00 0.00 42.92 43.47 1ija s ASP 118 CO 0.00 -0.35 -0.35 0.29 0.21 0.00 0.00 175.17 174.97 1ija n LYS 119 N -0.94 -0.34 -3.62 8.23 4.01 -1.26 -4.78 118.16 119.45 1ija n LYS 119 Ca -0.04 -0.08 -0.15 0.00 -0.51 0.00 0.00 58.31 57.52 1ija n LYS 119 Cb 0.65 -1.41 -0.07 0.00 -0.51 0.00 0.00 35.03 33.68 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 -2.81 0.84 -0.41 1.97 -2.07 -1.00 -2.79 119.66 113.39 1ija s GLN 120 Ca 0.48 0.50 -0.12 0.00 -1.82 0.00 0.00 55.36 54.40 1ija s GLN 120 Cb -0.14 0.40 0.05 0.00 -1.09 0.00 0.00 33.01 32.22 1ija s GLN 120 CO 0.73 -0.19 0.27 -1.17 -1.32 0.00 0.00 175.29 173.61 1ija s LEU 121 N -0.45 5.09 0.14 2.60 2.96 0.10 -2.71 118.68 126.40 1ija s LEU 121 Ca -0.06 -1.20 -0.10 0.00 -0.22 0.00 0.00 54.13 52.55 1ija s LEU 121 Cb -0.03 -2.06 -0.06 0.00 0.50 0.00 0.00 46.19 44.53 1ija s LEU 121 CO 0.05 -0.49 0.47 -0.89 -1.32 0.00 0.00 176.35 174.16 1ija s THR 122 N 1.55 5.00 0.09 3.68 2.01 0.42 -1.93 115.64 126.47 1ija s THR 122 Ca 0.03 0.51 0.05 0.00 0.31 0.00 0.00 61.69 62.59 1ija s THR 122 Cb -0.21 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 1ija s THR 122 CO 0.06 0.17 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.26 1ija s LEU 123 N -2.22 2.34 -0.03 4.42 1.43 -0.50 -2.30 118.68 121.82 1ija s LEU 123 Ca 0.38 -0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1ija s LEU 123 Cb -0.13 -0.49 0.02 0.00 0.03 0.00 0.00 46.19 45.61 1ija s LEU 123 CO 0.20 -0.13 0.06 -0.63 0.23 0.00 0.00 176.35 176.08 1ija s ILE 124 N -1.72 -0.03 0.40 -0.59 1.01 0.12 -3.01 121.20 117.38 1ija s ILE 124 Ca 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 1ija s ILE 124 Cb -0.07 -0.11 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 1ija s ILE 124 CO 0.02 0.05 0.63 0.42 0.00 0.00 0.00 174.94 176.06 1ija s THR 125 N 0.62 4.90 -0.07 2.92 -4.23 -1.18 -2.47 115.64 116.14 1ija s THR 125 Ca -0.05 -0.28 -0.06 0.00 -1.18 0.00 0.00 61.69 60.12 1ija s THR 125 Cb -0.07 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 69.98 1ija s THR 125 CO -0.02 -0.61 0.18 0.00 -0.54 0.00 0.00 174.62 173.63 1ija n ASP 127 N 2.97 0.00 -3.05 0.00 5.68 -1.26 -3.20 116.55 117.68 1ija n ASP 127 Ca -0.13 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.03 1ija n ASP 127 Cb 0.59 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.63 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 -5.59 -4.70 -1.12 8.00 -1.26 -4.30 116.55 107.57 1ija n ASP 128 Ca 0.00 -0.61 -0.42 0.00 0.71 0.00 0.00 54.79 54.47 1ija n ASP 128 Cb 0.00 -4.64 -0.03 0.00 -0.02 0.00 0.00 41.12 36.43 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 -3.34 2.46 -0.31 1.24 6.14 -1.26 -2.97 117.35 119.31 1ija s TYR 129 Ca 0.35 0.21 -0.24 0.00 0.64 0.00 0.00 57.07 58.03 1ija s TYR 129 Cb -0.05 -4.09 0.00 0.00 0.42 0.00 0.00 41.96 38.25 1ija s TYR 129 CO 0.65 -4.34 0.82 1.21 0.64 0.00 0.00 175.55 174.53 1ija s ASN 130 N 2.17 6.69 0.00 4.32 2.47 -0.87 -4.78 114.94 124.94 1ija s ASN 130 Ca 0.77 0.70 0.27 0.00 0.42 0.00 0.00 52.86 55.01 1ija s ASN 130 Cb -0.45 -2.42 1.36 0.00 -1.45 0.00 0.00 41.25 38.29 1ija s ASN 130 CO 0.34 -0.65 1.90 -1.84 -3.72 0.00 0.00 177.10 173.13 1ija n GLU 131 N 6.28 1.29 -0.07 0.43 0.28 -1.26 -2.02 120.64 125.58 1ija n GLU 131 Ca 0.05 -0.43 -0.12 0.00 -0.16 0.00 0.00 57.16 56.50 1ija n GLU 131 Cb 0.48 -1.44 -0.10 0.00 1.43 0.00 0.00 31.44 31.81 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 0.97 0.00 0.00 3.44 1.57 -1.94 -3.37 116.57 117.25 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 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1ija h LYS 132 CO 0.00 0.78 -1.18 0.25 -0.57 0.00 0.00 179.45 178.73 1ija n THR 133 N -4.63 0.14 -2.49 -0.16 -2.24 -1.25 -4.98 114.28 98.68 1ija n THR 133 Ca -0.10 -0.26 -0.02 0.00 -2.27 0.00 0.00 64.05 61.39 1ija n THR 133 Cb 0.40 0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.36 0.72 3.18 3.38 0.00 -0.85 -5.06 105.19 107.92 1ija n GLY 134 Ca 0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.03 0.09 -0.17 1.61 1.01 -1.11 -5.02 120.40 113.79 1ija s VAL 135 Ca 0.04 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 1ija s VAL 135 Cb -0.02 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.51 1ija s VAL 135 CO 0.06 -0.43 2.16 0.79 0.00 0.00 0.00 175.10 177.69 1ija n TRP 136 N 0.89 2.07 0.00 5.22 7.02 -1.26 -2.05 117.44 129.33 1ija n TRP 136 Ca -0.20 -0.16 0.00 0.00 -1.02 0.00 0.00 57.50 56.12 1ija n TRP 136 Cb 0.58 -2.73 0.00 0.00 -2.42 0.00 0.00 31.31 26.74 1ija n TRP 136 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1ija n GLU 137 N 8.40 0.00 -4.13 -0.99 2.13 -1.16 -4.61 120.64 120.28 1ija n GLU 137 Ca 0.28 0.21 -0.24 0.00 0.66 0.00 0.00 57.16 58.08 1ija n GLU 137 Cb 0.42 -0.60 -0.05 0.00 0.27 0.00 0.00 31.44 31.48 1ija n GLU 137 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1ija s LYS 138 N -0.56 2.79 -0.16 5.31 -2.85 -1.26 -4.99 119.74 118.02 1ija s LYS 138 Ca 0.00 -1.03 -0.34 0.00 -1.00 0.00 0.00 55.97 53.60 1ija s LYS 138 Cb 0.00 -2.53 0.13 0.00 -2.06 0.00 0.00 37.83 33.37 1ija s LYS 138 CO 0.00 0.44 1.20 -0.98 0.10 0.00 0.00 175.35 176.11 1ija s ARG 139 N -3.44 0.34 0.12 1.78 1.70 -1.26 -4.46 118.95 113.73 1ija s ARG 139 Ca 0.31 -0.13 0.07 0.00 -0.47 0.00 0.00 55.73 55.51 1ija s ARG 139 Cb -0.09 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.41 1ija s ARG 139 CO 0.23 -0.15 -0.16 0.15 -1.08 0.00 0.00 175.30 174.29 1ija s LYS 140 N -2.46 1.08 -0.05 3.89 1.02 -1.26 -4.95 119.74 117.02 1ija s LYS 140 Ca 0.10 -1.23 0.05 0.00 0.02 0.00 0.00 55.97 54.90 1ija s LYS 140 Cb -0.00 -1.09 -0.02 0.00 -0.52 0.00 0.00 37.83 36.19 1ija s LYS 140 CO -0.05 0.23 -0.18 0.42 -0.92 0.00 0.00 175.35 174.85 1ija s ILE 141 N -1.82 2.76 0.09 2.17 -1.09 -1.26 -3.08 121.20 118.96 1ija s ILE 141 Ca 0.09 -0.83 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 1ija s ILE 141 Cb -0.07 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 38.72 1ija s ILE 141 CO 0.04 0.58 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.91 1ija s PHE 142 N -0.60 0.80 -0.02 3.97 0.40 -1.17 -0.61 117.98 120.76 1ija s PHE 142 Ca 0.09 -0.90 -0.12 0.00 -0.60 0.00 0.00 56.93 55.39 1ija s PHE 142 Cb -0.11 -0.48 0.02 0.00 0.51 0.00 0.00 43.02 42.96 1ija s PHE 142 CO 0.01 -0.18 0.26 0.08 0.70 0.00 0.00 175.22 176.08 1ija s VAL 143 N -3.48 0.06 -0.02 -0.44 1.01 0.22 -1.41 120.40 116.34 1ija s VAL 143 Ca 0.09 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1ija s VAL 143 Cb 0.04 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1ija s VAL 143 CO -0.05 -0.28 0.04 0.00 0.00 0.00 0.00 175.10 174.81 1ija s ALA 144 N -1.24 -0.02 0.02 5.51 0.00 -0.81 -2.21 121.76 123.01 1ija s ALA 144 Ca -0.13 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 51.98 1ija s ALA 144 Cb -0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1ija s ALA 144 CO 0.03 -0.07 0.33 -0.08 0.00 0.00 0.00 175.76 175.97 1ija s THR 145 N 0.64 5.19 0.53 0.00 -1.32 -1.10 0.01 115.64 119.59 1ija s THR 145 Ca -0.05 0.41 -0.22 0.00 -1.21 0.00 0.00 61.69 60.62 1ija s THR 145 Cb -0.07 -3.61 -0.05 0.00 -1.51 0.00 0.00 72.50 67.25 1ija s THR 145 CO -0.02 0.40 1.38 -0.70 -2.21 0.00 0.00 174.62 173.47 1ija s GLU 146 N -1.61 3.21 0.00 7.08 -6.30 -1.12 -1.91 118.70 118.05 1ija s GLU 146 Ca 0.28 2.29 0.00 0.00 -2.50 0.00 0.00 54.97 55.03 1ija s GLU 146 Cb -0.14 -2.32 0.00 0.00 0.00 0.00 0.00 34.13 31.67 1ija s GLU 146 CO 0.15 -1.16 0.00 0.28 0.02 0.00 0.00 175.26 174.55 1ija n VAL 147 N -0.91 0.00 0.15 3.70 0.31 -1.26 -4.83 118.33 115.49 1ija n VAL 147 Ca 0.10 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.44 1ija n VAL 147 Cb 0.44 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.45 1ija n VAL 147 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80