#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ija s GLN 2 N 0.00 2.62 0.38 0.03 -2.07 -1.26 -5.02 119.66 114.35 1ija s GLN 2 Ca 0.00 1.75 -0.16 0.00 -1.82 0.00 0.00 55.36 55.13 1ija s GLN 2 Cb 0.00 -1.89 0.06 0.00 -1.09 0.00 0.00 33.01 30.09 1ija s GLN 2 CO 0.00 -1.46 0.81 0.00 -1.32 0.00 0.00 175.29 173.31 1ija s ALA 3 N -1.83 -0.76 0.03 2.60 0.00 -1.26 -5.11 121.76 115.43 1ija s ALA 3 Ca 0.75 -0.76 -0.37 0.00 0.00 0.00 0.00 51.96 51.59 1ija s ALA 3 Cb -0.29 0.67 -0.16 0.00 0.00 0.00 0.00 23.12 23.35 1ija s ALA 3 CO 0.39 -0.99 1.50 0.36 0.00 0.00 0.00 175.76 177.02 1ija n LYS 4 N -0.54 1.44 -0.79 0.00 2.85 -1.26 -4.89 118.16 114.96 1ija n LYS 4 Ca -0.08 0.52 -0.16 0.00 -1.05 0.00 0.00 58.31 57.53 1ija n LYS 4 Cb 0.60 -2.21 0.04 0.00 -0.65 0.00 0.00 35.03 32.81 1ija n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ija n PRO 5 N 3.51 -0.43 -2.13 -1.58 -0.02 -1.26 -4.66 135.00 128.44 1ija n PRO 5 Ca 0.20 -0.13 -0.32 0.00 -2.02 0.00 0.00 63.50 61.23 1ija n PRO 5 Cb 0.21 -1.10 -0.04 0.00 -0.02 0.00 0.00 33.50 32.54 1ija n PRO 5 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ija s GLN 6 N -2.29 2.72 -0.26 -0.52 -1.52 -1.26 -4.95 119.66 111.58 1ija s GLN 6 Ca 0.19 -0.16 -0.23 0.00 -1.95 0.00 0.00 55.36 53.21 1ija s GLN 6 Cb 0.02 -4.89 -0.01 0.00 -0.22 0.00 0.00 33.01 27.92 1ija s GLN 6 CO 0.28 -3.02 0.78 0.42 -0.25 0.00 0.00 175.29 173.50 1ija s ILE 7 N 9.03 4.85 0.83 1.08 1.01 -1.26 -5.02 121.20 131.72 1ija s ILE 7 Ca 0.65 1.39 -0.17 0.00 0.00 0.00 0.00 60.65 62.52 1ija s ILE 7 Cb -0.07 -4.09 -0.12 0.00 0.01 0.00 0.00 42.46 38.19 1ija s ILE 7 CO 0.04 -0.10 -0.35 -2.65 0.00 0.00 0.00 174.94 171.89 1ija n PRO 8 N 6.00 0.01 -0.04 2.79 -0.02 -1.26 -4.92 135.00 137.56 1ija n PRO 8 Ca 0.04 0.01 0.03 0.00 -2.02 0.00 0.00 63.50 61.56 1ija n PRO 8 Cb 0.48 -1.18 -0.14 0.00 -0.02 0.00 0.00 33.50 32.64 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 1.44 0.81 -2.44 -0.52 5.02 -1.26 -4.79 118.16 116.42 1ija n LYS 9 Ca 0.03 -0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 1ija n LYS 9 Cb 0.53 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 1ija n LYS 9 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ija s ASP 10 N -4.46 6.34 0.00 4.39 2.15 -1.26 -4.83 116.67 119.01 1ija s ASP 10 Ca -0.07 0.51 0.00 0.00 0.43 0.00 0.00 52.55 53.42 1ija s ASP 10 Cb 0.09 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1ija s ASP 10 CO 0.73 -1.49 0.64 0.29 -0.17 0.00 0.00 175.17 175.17 1ija n LYS 11 N 8.25 0.00 -2.03 4.34 5.02 -1.26 -1.53 118.16 130.95 1ija n LYS 11 Ca 0.14 0.16 -0.28 0.00 -2.02 0.00 0.00 58.31 56.31 1ija n LYS 11 Cb 0.49 -1.52 0.03 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.14 5.52 -3.79 4.39 7.64 -1.26 -4.71 113.62 120.27 1ija n SER 12 Ca 0.00 -3.76 -0.13 0.00 1.01 0.00 0.00 58.87 56.00 1ija n SER 12 Cb 0.02 -0.53 -0.10 0.00 -1.01 0.00 0.00 64.21 62.59 1ija n SER 12 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1ija s LYS 13 N -3.66 0.48 0.63 1.43 2.20 -0.58 -5.14 119.74 115.10 1ija s LYS 13 Ca 0.52 -0.01 -0.19 0.00 -0.36 0.00 0.00 55.97 55.94 1ija s LYS 13 Cb 0.43 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.94 1ija s LYS 13 CO -0.07 -0.11 1.30 0.28 -0.36 0.00 0.00 175.35 176.39 1ija n VAL 14 N 2.00 4.70 -1.30 4.02 0.31 -1.26 -4.36 118.33 122.44 1ija n VAL 14 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1ija n VAL 14 Cb 0.57 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 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 -1.73 1.25 0.00 3.52 0.00 -1.22 -4.82 120.51 117.50 1ija n ALA 15 Ca 0.15 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1ija n ALA 15 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 0.00 -0.08 3.09 0.00 0.00 -1.26 -4.92 105.19 102.02 1ija n GLY 16 Ca 0.00 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.00 -0.50 0.14 1.61 2.02 -0.44 -2.99 117.35 115.19 1ija s TYR 17 Ca 0.00 1.08 -0.02 0.00 -0.37 0.00 0.00 57.07 57.76 1ija s TYR 17 Cb 0.00 0.07 -0.05 0.00 -0.40 0.00 0.00 41.96 41.58 1ija s TYR 17 CO 0.00 -0.36 0.33 -1.50 -1.57 0.00 0.00 175.55 172.45 1ija s ILE 18 N 2.18 5.25 -0.14 2.71 2.07 -0.64 -0.16 121.20 132.48 1ija s ILE 18 Ca -0.02 -0.27 -0.09 0.00 -1.41 0.00 0.00 60.65 58.86 1ija s ILE 18 Cb -0.11 -3.67 0.05 0.00 0.13 0.00 0.00 42.46 38.85 1ija s ILE 18 CO -0.10 -0.01 0.34 -0.70 -1.91 0.00 0.00 174.94 172.56 1ija s GLU 19 N -2.88 0.33 -0.06 3.50 2.12 -0.91 -2.61 118.70 118.20 1ija s GLU 19 Ca 0.38 0.64 -0.02 0.00 0.36 0.00 0.00 54.97 56.32 1ija s GLU 19 Cb -0.12 -0.01 0.04 0.00 0.26 0.00 0.00 34.13 34.30 1ija s GLU 19 CO 0.27 -0.14 0.11 0.42 -0.54 0.00 0.00 175.26 175.39 1ija s ILE 20 N 1.08 -0.12 0.02 -3.70 1.01 -1.02 -2.07 121.20 116.40 1ija s ILE 20 Ca -0.07 0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.67 1ija s ILE 20 Cb -0.08 -0.21 -0.24 0.00 0.01 0.00 0.00 42.46 41.94 1ija s ILE 20 CO -0.08 0.11 1.11 1.55 0.00 0.00 0.00 174.94 177.63 1ija h PRO 21 N 7.75 0.49 0.00 2.79 0.13 -1.86 0.88 132.00 142.18 1ija h PRO 21 Ca -0.31 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1ija h PRO 21 Cb 1.13 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ija h PRO 21 CO 0.32 1.17 0.33 -0.25 -0.23 0.00 0.00 178.00 179.34 1ija n ASP 22 N -4.11 0.31 -0.10 1.44 9.92 -1.26 0.06 116.55 122.80 1ija n ASP 22 Ca -0.11 0.53 0.01 0.00 -0.53 0.00 0.00 54.79 54.69 1ija n ASP 22 Cb 0.74 -0.46 0.01 0.00 -0.64 0.00 0.00 41.12 40.77 1ija n ASP 22 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ija n ALA 23 N -1.54 1.44 -4.15 2.24 0.00 -1.16 -4.38 120.51 112.96 1ija n ALA 23 Ca -0.01 -0.81 -0.32 0.00 0.00 0.00 0.00 53.44 52.31 1ija n ALA 23 Cb 0.35 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.17 -0.42 -4.89 0.00 5.75 0.11 -4.51 116.55 112.42 1ija n ASP 24 Ca 0.01 -1.19 -0.33 0.00 -0.01 0.00 0.00 54.79 53.27 1ija n ASP 24 Cb 0.50 -2.13 -0.05 0.00 -1.03 0.00 0.00 41.12 38.42 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 -4.10 5.18 -0.42 2.12 -1.09 0.27 -4.91 121.20 118.25 1ija s ILE 25 Ca 0.09 0.18 -0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1ija s ILE 25 Cb -0.05 -3.62 0.20 0.00 -1.58 0.00 0.00 42.46 37.42 1ija s ILE 25 CO 0.96 0.19 0.93 -1.59 -1.23 0.00 0.00 174.94 174.20 1ija s LYS 26 N -2.22 0.60 0.05 2.79 -2.85 -1.25 -2.45 119.74 114.42 1ija s LYS 26 Ca 0.35 -0.58 -0.00 0.00 -1.00 0.00 0.00 55.97 54.74 1ija s LYS 26 Cb -0.13 -0.02 -0.04 0.00 -2.06 0.00 0.00 37.83 35.58 1ija s LYS 26 CO 0.21 -0.74 -0.04 -1.21 0.10 0.00 0.00 175.35 173.67 1ija s GLU 27 N 0.97 0.60 0.51 1.78 2.02 -1.07 -4.99 118.70 118.52 1ija s GLU 27 Ca 0.26 -1.15 -0.06 0.00 0.02 0.00 0.00 54.97 54.04 1ija s GLU 27 Cb 0.07 0.13 -0.03 0.00 0.10 0.00 0.00 34.13 34.39 1ija s GLU 27 CO -0.08 -0.09 0.83 -1.25 0.02 0.00 0.00 175.26 174.69 1ija s PRO 28 N -3.56 3.49 -0.29 0.39 0.04 -1.26 -1.62 135.00 132.19 1ija s PRO 28 Ca 0.05 0.25 -0.01 0.00 0.04 0.00 0.00 61.00 61.33 1ija s PRO 28 Cb 0.05 -2.33 0.09 0.00 0.04 0.00 0.00 34.50 32.36 1ija s PRO 28 CO -0.08 -0.30 0.09 0.08 0.04 0.00 0.00 177.00 176.83 1ija s VAL 29 N -2.82 0.81 0.93 -0.36 1.01 -1.16 -3.93 120.40 114.88 1ija s VAL 29 Ca 0.49 -1.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1ija s VAL 29 Cb -0.10 -1.56 0.15 0.00 0.00 0.00 0.00 36.38 34.87 1ija s VAL 29 CO 0.46 -0.60 1.16 -0.31 0.00 0.00 0.00 175.10 175.82 1ija s TYR 30 N 1.66 2.26 -0.33 5.22 2.02 -1.16 -3.42 117.35 123.60 1ija s TYR 30 Ca 0.08 0.74 -0.24 0.00 -0.37 0.00 0.00 57.07 57.28 1ija s TYR 30 Cb -0.17 -3.50 0.00 0.00 -0.40 0.00 0.00 41.96 37.89 1ija s TYR 30 CO -0.23 -2.48 0.80 -1.25 -1.57 0.00 0.00 175.55 170.82 1ija s PRO 31 N -5.40 3.89 0.00 -1.71 0.04 -1.26 -2.70 135.00 127.86 1ija s PRO 31 Ca 0.66 0.50 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1ija s PRO 31 Cb -0.13 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1ija s PRO 31 CO 0.53 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1ija n GLY 32 N 4.32 1.42 3.69 0.56 0.00 -1.26 -4.56 105.19 109.37 1ija n GLY 32 Ca 0.04 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 4.41 -0.83 1.61 0.04 -1.26 -3.75 135.00 133.21 1ija s PRO 33 Ca 0.00 1.61 -0.09 0.00 0.04 0.00 0.00 61.00 62.56 1ija s PRO 33 Cb 0.00 -3.50 -0.27 0.00 0.04 0.00 0.00 34.50 30.76 1ija s PRO 33 CO 0.00 -0.34 1.99 0.00 0.04 0.00 0.00 177.00 178.69 1ija n ALA 34 N 4.76 0.98 -2.60 8.56 0.00 -1.07 -4.83 120.51 126.30 1ija n ALA 34 Ca 0.10 -0.90 -0.22 0.00 0.00 0.00 0.00 53.44 52.41 1ija n ALA 34 Cb 0.47 -2.18 -0.12 0.00 0.00 0.00 0.00 19.45 17.62 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 1.21 1.48 0.21 0.00 -4.23 -1.26 -5.03 115.64 108.03 1ija s THR 35 Ca 1.09 -1.43 -0.09 0.00 -1.18 0.00 0.00 61.69 60.08 1ija s THR 35 Cb -0.66 -1.37 0.16 0.00 1.34 0.00 0.00 72.50 71.97 1ija s THR 35 CO 0.45 -0.10 1.85 1.55 -0.54 0.00 0.00 174.62 177.82 1ija h PRO 36 N 4.22 0.84 0.00 3.99 0.13 -1.98 -0.70 132.00 138.49 1ija h PRO 36 Ca -0.44 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ija h PRO 36 Cb 1.18 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ija h PRO 36 CO 0.40 0.56 -0.01 1.05 -0.23 0.00 0.00 178.00 179.76 1ija h GLU 37 N 0.87 0.00 0.00 0.86 -0.00 -1.96 -2.43 114.58 111.92 1ija h GLU 37 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.66 1ija h GLU 37 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.81 1ija h GLU 37 CO -0.13 0.01 -0.06 0.37 -0.00 0.00 0.00 179.01 179.20 1ija h GLN 38 N 0.00 0.00 0.00 1.06 -0.00 -1.51 -3.35 115.11 111.31 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 0.17 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.65 1ija h GLN 38 CO 0.00 0.00 0.35 1.28 0.00 0.00 0.00 178.83 180.46 1ija n LEU 39 N -2.56 0.05 0.13 -2.39 4.77 -0.60 -0.26 117.00 116.14 1ija n LEU 39 Ca -0.01 0.24 0.16 0.00 -0.03 0.00 0.00 56.01 56.37 1ija n LEU 39 Cb 0.03 -0.21 0.71 0.00 -2.33 0.00 0.00 43.42 41.62 1ija n LEU 39 CO 0.01 -0.25 1.14 0.78 -1.33 0.00 0.00 177.39 177.74 1ija h ASN 40 N 0.00 0.00 1.73 -1.43 -0.26 -1.57 0.92 115.58 114.98 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 0.70 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.96 1ija h ASN 40 CO 0.00 0.00 -0.10 0.03 -1.06 0.00 0.00 177.43 176.30 1ija h ARG 41 N 0.00 0.00 0.00 0.81 2.47 -0.88 -3.49 114.38 113.28 1ija h ARG 41 Ca 0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1ija h ARG 41 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1ija h ARG 41 CO -0.00 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 1ija n GLY 42 N 1.18 0.18 3.96 0.04 0.00 0.32 -5.11 105.19 105.75 1ija n GLY 42 Ca 0.04 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1ija n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ija s VAL 43 N 0.00 5.04 -0.06 1.61 1.01 -1.25 -4.34 120.40 122.41 1ija s VAL 43 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 1ija s VAL 43 Cb 0.00 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.68 1ija s VAL 43 CO 0.00 -0.40 0.85 -0.94 0.00 0.00 0.00 175.10 174.61 1ija s SER 44 N -4.03 -0.46 1.09 3.32 1.04 -1.18 -2.96 113.70 110.51 1ija s SER 44 Ca 0.38 0.34 -0.16 0.00 0.48 0.00 0.00 55.95 56.98 1ija s SER 44 Cb -0.09 0.42 0.12 0.00 0.10 0.00 0.00 66.02 66.56 1ija s SER 44 CO 0.32 -0.55 0.27 0.49 0.98 0.00 0.00 173.24 174.76 1ija n PHE 45 N 0.41 -1.34 -0.43 5.02 3.72 -1.10 -2.51 117.46 121.23 1ija n PHE 45 Ca -0.13 0.12 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1ija n PHE 45 Cb 0.59 -1.64 0.33 0.00 -0.94 0.00 0.00 39.48 37.82 1ija n PHE 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ija n ALA 46 N -4.33 2.54 -3.59 4.37 0.00 0.56 -2.60 120.51 117.46 1ija n ALA 46 Ca 0.03 -1.38 -0.11 0.00 0.00 0.00 0.00 53.44 51.98 1ija n ALA 46 Cb 0.59 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.20 0.61 0.54 0.00 2.02 -1.25 -3.71 118.70 115.72 1ija s GLU 47 Ca 0.50 0.93 0.27 0.00 0.02 0.00 0.00 54.97 56.69 1ija s GLU 47 Cb 0.27 0.18 1.56 0.00 0.10 0.00 0.00 34.13 36.24 1ija s GLU 47 CO 0.31 -0.12 2.14 1.05 0.02 0.00 0.00 175.26 178.66 1ija h GLU 48 N 6.27 0.00 -0.69 1.61 4.11 -1.91 -1.67 114.58 122.30 1ija h GLU 48 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1ija h GLU 48 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1ija h GLU 48 CO 0.19 0.07 0.00 0.09 0.07 0.00 0.00 179.01 179.43 1ija n ASN 49 N -3.82 2.35 -4.59 3.06 5.03 -1.26 -4.80 115.26 111.23 1ija n ASN 49 Ca -0.02 -2.24 -0.29 0.00 0.87 0.00 0.00 54.58 52.89 1ija n ASN 49 Cb 0.17 -0.46 0.21 0.00 -1.02 0.00 0.00 39.78 38.67 1ija n ASN 49 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 1ija s GLU 50 N -1.63 0.06 0.30 3.52 4.04 -0.63 -5.01 118.70 119.34 1ija s GLU 50 Ca 0.19 1.06 -0.09 0.00 0.04 0.00 0.00 54.97 56.17 1ija s GLU 50 Cb 0.13 -1.65 0.00 0.00 0.02 0.00 0.00 34.13 32.64 1ija s GLU 50 CO 0.07 -3.13 0.50 -1.54 -1.84 0.00 0.00 175.26 169.32 1ija s SER 51 N -2.73 0.31 0.00 0.83 1.04 -1.26 -4.97 113.70 106.92 1ija s SER 51 Ca 0.67 -1.18 0.23 0.00 0.48 0.00 0.00 55.95 56.15 1ija s SER 51 Cb -0.23 0.64 1.22 0.00 0.10 0.00 0.00 66.02 67.74 1ija s SER 51 CO 0.61 -1.25 1.81 0.18 0.98 0.00 0.00 173.24 175.57 1ija n LEU 52 N -0.46 0.51 -0.82 2.42 4.77 -1.26 -3.77 117.00 118.39 1ija n LEU 52 Ca -0.01 -0.20 -0.02 0.00 -0.03 0.00 0.00 56.01 55.75 1ija n LEU 52 Cb 0.62 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1ija n LEU 52 CO 0.26 0.10 0.26 0.47 -1.33 0.00 0.00 177.39 177.15 1ija n ASP 53 N -0.50 -0.24 -4.68 -1.43 9.92 -1.26 -5.09 116.55 113.26 1ija n ASP 53 Ca 0.17 -1.63 -0.46 0.00 -0.53 0.00 0.00 54.79 52.35 1ija n ASP 53 Cb 0.16 0.05 -0.04 0.00 -0.64 0.00 0.00 41.12 40.65 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 0.06 3.56 0.08 -2.24 2.03 -1.25 -4.74 116.55 114.07 1ija n ASP 54 Ca -0.10 1.00 0.16 0.00 0.52 0.00 0.00 54.79 56.38 1ija n ASP 54 Cb 0.68 -1.44 0.39 0.00 -0.72 0.00 0.00 41.12 40.04 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 8.28 0.00 -2.71 -0.67 -0.00 -1.95 -3.14 115.11 114.92 1ija h GLN 55 Ca -0.47 0.00 -0.54 0.00 -0.00 0.00 0.00 58.65 57.64 1ija h GLN 55 Cb 1.25 0.00 -0.40 0.00 -0.00 0.00 0.00 27.48 28.34 1ija h GLN 55 CO 0.93 0.00 -0.80 1.21 -0.00 0.00 0.00 178.83 180.17 1ija s ASN 56 N -3.71 3.33 0.25 0.06 3.84 -1.26 -3.15 114.94 114.30 1ija s ASN 56 Ca -0.02 -1.53 -0.03 0.00 0.21 0.00 0.00 52.86 51.49 1ija s ASN 56 Cb 0.09 -0.34 -0.05 0.00 -0.55 0.00 0.00 41.25 40.40 1ija s ASN 56 CO 0.30 -0.40 0.48 -0.63 -2.79 0.00 0.00 177.10 174.06 1ija s ILE 57 N 1.81 5.11 -0.07 -5.21 1.01 -1.17 -4.97 121.20 117.71 1ija s ILE 57 Ca 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 1ija s ILE 57 Cb -0.18 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.60 1ija s ILE 57 CO -0.26 -0.26 0.14 -0.94 0.00 0.00 0.00 174.94 173.61 1ija s SER 58 N -3.20 0.77 0.34 3.58 1.04 -1.26 -0.75 113.70 114.22 1ija s SER 58 Ca 0.41 0.27 0.09 0.00 0.48 0.00 0.00 55.95 57.20 1ija s SER 58 Cb -0.11 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 1ija s SER 58 CO 0.30 -0.24 0.05 -0.63 0.98 0.00 0.00 173.24 173.70 1ija s ILE 59 N 2.18 2.76 -0.02 -1.02 1.01 -1.11 0.21 121.20 125.21 1ija s ILE 59 Ca 0.03 -1.88 -0.01 0.00 0.00 0.00 0.00 60.65 58.78 1ija s ILE 59 Cb -0.12 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.50 1ija s ILE 59 CO -0.05 -0.20 0.04 0.00 0.00 0.00 0.00 174.94 174.73 1ija s ALA 60 N -2.49 -0.10 -0.05 9.38 0.00 -1.05 -0.85 121.76 126.61 1ija s ALA 60 Ca 0.36 0.12 -0.10 0.00 0.00 0.00 0.00 51.96 52.34 1ija s ALA 60 Cb -0.01 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1ija s ALA 60 CO 0.20 -0.02 0.24 0.20 0.00 0.00 0.00 175.76 176.38 1ija s GLY 61 N 0.04 -0.12 0.26 0.00 0.00 -1.03 -3.11 107.32 103.35 1ija s GLY 61 Ca -0.00 0.39 -0.04 0.00 0.00 0.00 0.00 44.72 45.07 1ija s GLY 61 CO 0.00 0.26 0.26 1.42 0.00 0.00 0.00 173.10 175.04 1ija n HIS 62 N 2.14 -3.45 -2.94 1.90 8.25 -1.26 -0.49 115.22 119.36 1ija n HIS 62 Ca -0.18 -0.23 0.01 0.00 -0.26 0.00 0.00 57.72 57.06 1ija n HIS 62 Cb 0.57 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.51 -0.59 -0.22 1.59 -1.32 -1.20 -0.32 115.64 112.06 1ija s THR 63 Ca 0.16 -0.08 -0.21 0.00 -1.21 0.00 0.00 61.69 60.35 1ija s THR 63 Cb -0.01 0.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.96 1ija s THR 63 CO 0.12 0.00 0.64 -0.36 -2.21 0.00 0.00 174.62 172.81 1ija s PHE 64 N 1.78 3.33 0.43 9.09 0.40 -1.26 -4.86 117.98 126.88 1ija s PHE 64 Ca 0.17 0.90 0.10 0.00 -0.60 0.00 0.00 56.93 57.49 1ija s PHE 64 Cb 0.01 -2.83 0.93 0.00 0.51 0.00 0.00 43.02 41.63 1ija s PHE 64 CO -0.11 -0.25 2.03 0.82 0.70 0.00 0.00 175.22 178.41 1ija h ILE 65 N 5.29 1.11 -0.11 0.64 2.04 -1.98 -1.32 117.51 123.17 1ija h ILE 65 Ca -0.29 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1ija h ILE 65 Cb 1.13 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1ija h ILE 65 CO 0.78 0.13 0.00 -0.90 0.00 0.00 0.00 178.15 178.16 1ija n ASP 66 N -4.41 1.59 -3.00 1.72 5.75 -1.26 -4.18 116.55 112.75 1ija n ASP 66 Ca 0.00 -2.13 -0.16 0.00 -0.01 0.00 0.00 54.79 52.50 1ija n ASP 66 Cb 0.15 -0.42 -0.02 0.00 -1.03 0.00 0.00 41.12 39.79 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 0.06 0.62 0.00 0.11 1.74 -0.50 -4.99 116.66 113.71 1ija n ARG 67 Ca 0.05 -2.51 0.00 0.00 -0.77 0.00 0.00 57.85 54.62 1ija n ARG 67 Cb 0.35 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 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 1.97 0.00 -2.94 5.56 -0.02 -1.26 -2.38 135.00 135.94 1ija n PRO 68 Ca 0.18 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 1ija n PRO 68 Cb 0.56 -0.95 0.03 0.00 -0.02 0.00 0.00 33.50 33.12 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 -0.15 -0.17 -3.59 2.55 0.23 -1.26 -4.75 115.26 108.12 1ija n ASN 69 Ca 0.00 -3.10 -0.22 0.00 -0.53 0.00 0.00 54.58 50.73 1ija n ASN 69 Cb 0.00 0.23 -0.16 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 -1.58 -0.00 0.00 -2.53 5.04 -1.00 -5.03 117.35 112.24 1ija s TYR 70 Ca 0.31 0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 1ija s TYR 70 Cb 0.36 -0.52 0.00 0.00 0.35 0.00 0.00 41.96 42.15 1ija s TYR 70 CO -0.05 -0.46 0.00 1.04 -1.34 0.00 0.00 175.55 174.73 1ija n GLN 71 N 5.30 0.00 -1.22 4.97 6.02 -1.26 -1.56 117.38 129.63 1ija n GLN 71 Ca -0.06 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.67 1ija n GLN 71 Cb 0.49 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.79 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 14.00 2.22 0.34 1.08 3.01 0.56 -4.50 117.46 134.16 1ija n PHE 72 Ca 0.00 -2.34 0.14 0.00 1.01 0.00 0.00 57.45 56.26 1ija n PHE 72 Cb 0.00 -1.21 0.59 0.00 -0.01 0.00 0.00 39.48 38.85 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 1.25 0.00 0.00 4.37 2.02 -1.30 -3.26 112.91 115.99 1ija h THR 73 Ca 0.43 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1ija h THR 73 Cb 0.77 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1ija h THR 73 CO 1.11 0.00 -0.71 0.59 0.37 0.00 0.00 175.52 176.88 1ija n ASN 74 N -2.53 3.54 0.14 4.18 4.13 -1.26 -4.67 115.26 118.79 1ija n ASN 74 Ca 0.01 0.00 0.19 0.00 1.68 0.00 0.00 54.58 56.46 1ija n ASN 74 Cb 0.23 0.51 0.77 0.00 -1.54 0.00 0.00 39.78 39.75 1ija n ASN 74 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1ija h LEU 75 N 0.00 0.00 0.00 3.41 6.46 -1.79 2.37 115.31 125.77 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 0.39 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 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 -3.67 0.28 -0.04 1.25 2.85 -1.25 -2.35 118.16 115.24 1ija n LYS 76 Ca 0.05 0.09 -0.06 0.00 -1.05 0.00 0.00 58.31 57.33 1ija n LYS 76 Cb 0.53 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.27 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 -1.30 1.66 -0.74 0.58 0.00 0.80 -4.96 120.51 116.55 1ija n ALA 77 Ca 0.10 -0.91 -0.28 0.00 0.00 0.00 0.00 53.44 52.35 1ija n ALA 77 Cb 0.18 -0.63 0.11 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.57 -2.93 -3.45 0.00 0.00 -0.99 -4.98 120.51 105.58 1ija n ALA 78 Ca -0.20 -1.14 -0.11 0.00 0.00 0.00 0.00 53.44 51.98 1ija n ALA 78 Cb 1.02 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.89 2.15 0.23 0.00 -2.85 -1.26 -5.04 119.74 110.08 1ija s LYS 79 Ca 0.40 -1.60 -0.30 0.00 -1.00 0.00 0.00 55.97 53.48 1ija s LYS 79 Cb -0.02 0.56 -0.15 0.00 -2.06 0.00 0.00 37.83 36.15 1ija s LYS 79 CO 0.52 -0.97 0.96 1.63 0.10 0.00 0.00 175.35 177.58 1ija n LYS 80 N -0.56 1.01 0.00 1.78 4.76 -1.26 -0.33 118.16 123.56 1ija n LYS 80 Ca -0.05 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 1ija n LYS 80 Cb 0.60 -1.69 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 1.59 2.51 3.55 0.72 0.00 -0.65 -4.96 105.19 107.95 1ija n GLY 81 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.74 4.51 1.10 1.61 0.15 0.55 -4.60 113.70 115.29 1ija s SER 82 Ca 0.00 0.61 -0.12 0.00 0.70 0.00 0.00 55.95 57.13 1ija s SER 82 Cb 0.00 -2.52 0.25 0.00 -1.71 0.00 0.00 66.02 62.04 1ija s SER 82 CO 0.00 -3.00 1.05 -0.04 1.20 0.00 0.00 173.24 172.45 1ija s MET 83 N 8.10 -0.44 -0.13 5.44 -1.94 -1.26 -2.98 119.30 126.09 1ija s MET 83 Ca 0.89 0.85 -0.04 0.00 -1.71 0.00 0.00 55.69 55.68 1ija s MET 83 Cb -0.15 -1.61 0.06 0.00 2.01 0.00 0.00 34.83 35.14 1ija s MET 83 CO 0.19 -3.41 0.14 0.08 -0.01 0.00 0.00 175.02 172.02 1ija s VAL 84 N -2.58 -0.20 -0.47 -6.03 1.01 -1.13 -4.75 120.40 106.24 1ija s VAL 84 Ca 0.68 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.58 1ija s VAL 84 Cb -0.23 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.75 1ija s VAL 84 CO 0.62 -0.05 0.55 -0.31 0.00 0.00 0.00 175.10 175.91 1ija s TYR 85 N 2.24 3.11 -0.39 5.22 2.02 -0.88 -2.25 117.35 126.41 1ija s TYR 85 Ca 0.04 -0.47 -0.18 0.00 -0.37 0.00 0.00 57.07 56.08 1ija s TYR 85 Cb -0.14 -3.29 0.01 0.00 -0.40 0.00 0.00 41.96 38.14 1ija s TYR 85 CO -0.08 -0.89 0.50 0.12 -1.57 0.00 0.00 175.55 173.63 1ija s PHE 86 N 2.41 3.15 -0.08 2.71 5.36 -1.07 -2.14 117.98 128.32 1ija s PHE 86 Ca 0.14 -0.07 -0.15 0.00 -0.96 0.00 0.00 56.93 55.89 1ija s PHE 86 Cb -0.18 -2.98 -0.05 0.00 -0.34 0.00 0.00 43.02 39.47 1ija s PHE 86 CO 0.13 -0.65 0.38 0.21 -1.46 0.00 0.00 175.22 173.82 1ija s LYS 87 N 2.36 4.08 -0.24 10.12 2.20 0.78 -1.30 119.74 137.74 1ija s LYS 87 Ca 0.17 0.30 -0.15 0.00 -0.36 0.00 0.00 55.97 55.92 1ija s LYS 87 Cb -0.16 -3.32 0.07 0.00 -1.51 0.00 0.00 37.83 32.91 1ija s LYS 87 CO 0.14 0.45 0.60 0.14 -0.36 0.00 0.00 175.35 176.32 1ija s VAL 88 N -0.26 -0.01 0.00 4.02 -7.23 -1.02 -1.32 120.40 114.58 1ija s VAL 88 Ca 0.22 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 1ija s VAL 88 Cb -0.15 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 35.93 1ija s VAL 88 CO 0.09 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1ija n GLY 89 N 3.94 1.28 2.66 2.32 0.00 -1.26 -2.55 105.19 111.59 1ija n GLY 89 Ca -0.19 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.60 6.98 -3.64 1.61 3.02 -1.26 -4.87 115.26 114.50 1ija n ASN 90 Ca 0.00 -3.47 -0.07 0.00 -0.03 0.00 0.00 54.58 51.01 1ija n ASN 90 Cb 0.00 -1.17 -0.07 0.00 -0.61 0.00 0.00 39.78 37.93 1ija n ASN 90 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1ija s GLU 91 N -2.70 0.37 -0.07 3.52 2.56 -1.06 -5.16 118.70 116.16 1ija s GLU 91 Ca 0.55 0.43 0.05 0.00 0.00 0.00 0.00 54.97 56.00 1ija s GLU 91 Cb 0.39 0.18 -0.01 0.00 2.00 0.00 0.00 34.13 36.70 1ija s GLU 91 CO -0.29 -0.05 -0.24 -0.08 -0.56 0.00 0.00 175.26 174.04 1ija s THR 92 N 0.13 1.97 0.73 -1.70 -1.32 -1.26 -2.43 115.64 111.77 1ija s THR 92 Ca 0.04 -1.00 -0.01 0.00 -1.21 0.00 0.00 61.69 59.51 1ija s THR 92 Cb -0.05 -1.69 0.13 0.00 -1.51 0.00 0.00 72.50 69.39 1ija s THR 92 CO -0.09 0.55 1.01 -0.13 -2.21 0.00 0.00 174.62 173.74 1ija s ARG 93 N 0.07 1.62 0.02 7.08 3.00 -0.42 -4.91 118.95 125.41 1ija s ARG 93 Ca -0.10 -1.13 -0.08 0.00 0.00 0.00 0.00 55.73 54.41 1ija s ARG 93 Cb -0.15 -2.32 0.00 0.00 0.00 0.00 0.00 34.95 32.48 1ija s ARG 93 CO 0.06 -1.49 0.17 -1.59 0.00 0.00 0.00 175.30 172.44 1ija s LYS 94 N -5.17 0.59 0.33 3.54 -2.85 -1.26 -2.61 119.74 112.31 1ija s LYS 94 Ca 0.67 -0.51 0.06 0.00 -1.00 0.00 0.00 55.97 55.18 1ija s LYS 94 Cb -0.05 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 1ija s LYS 94 CO 0.45 -0.15 0.30 0.71 0.10 0.00 0.00 175.35 176.75 1ija s TYR 95 N -1.96 1.63 -0.19 1.78 1.51 -0.95 -4.33 117.35 114.85 1ija s TYR 95 Ca -0.10 -1.60 -0.04 0.00 -1.01 0.00 0.00 57.07 54.32 1ija s TYR 95 Cb -0.04 -0.61 0.08 0.00 -0.11 0.00 0.00 41.96 41.27 1ija s TYR 95 CO -0.01 -0.90 0.17 0.21 -1.11 0.00 0.00 175.55 173.91 1ija s LYS 96 N -3.41 0.14 -0.02 -0.62 2.20 -0.94 -2.83 119.74 114.26 1ija s LYS 96 Ca 0.39 0.12 -0.38 0.00 -0.36 0.00 0.00 55.97 55.74 1ija s LYS 96 Cb 0.02 -1.39 -0.16 0.00 -1.51 0.00 0.00 37.83 34.79 1ija s LYS 96 CO 0.26 -0.65 1.46 -0.12 -0.36 0.00 0.00 175.35 175.94 1ija n MET 97 N 5.31 1.16 -0.74 4.03 0.00 -1.16 -2.53 117.12 123.19 1ija n MET 97 Ca -0.06 0.42 -0.04 0.00 -0.00 0.00 0.00 57.70 58.02 1ija n MET 97 Cb 0.49 -2.08 -0.04 0.00 0.00 0.00 0.00 33.22 31.60 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 3.14 0.00 -3.02 1.12 -1.04 -1.17 -1.63 114.28 111.69 1ija n THR 98 Ca 0.21 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1ija n THR 98 Cb 0.17 0.26 -0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1ija n THR 98 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ija s SER 99 N -0.52 -1.27 0.20 8.00 0.01 -0.65 -4.99 113.70 114.48 1ija s SER 99 Ca 0.00 -0.86 -0.27 0.00 1.31 0.00 0.00 55.95 56.13 1ija s SER 99 Cb 0.00 1.63 -0.08 0.00 0.21 0.00 0.00 66.02 67.78 1ija s SER 99 CO 0.00 -0.12 0.84 -0.63 0.41 0.00 0.00 173.24 173.74 1ija s ILE 100 N 1.62 4.25 -0.00 1.44 1.09 -1.26 0.11 121.20 128.45 1ija s ILE 100 Ca 0.19 1.85 0.01 0.00 -1.10 0.00 0.00 60.65 61.60 1ija s ILE 100 Cb -0.01 -4.21 0.01 0.00 -1.06 0.00 0.00 42.46 37.18 1ija s ILE 100 CO -0.08 0.51 0.69 0.54 -0.10 0.00 0.00 174.94 176.50 1ija n ARG 101 N 1.54 0.27 -0.24 2.79 1.74 0.17 -4.88 116.66 118.05 1ija n ARG 101 Ca -0.04 -0.77 -0.03 0.00 -0.77 0.00 0.00 57.85 56.24 1ija n ARG 101 Cb 0.48 -0.57 -0.04 0.00 -1.02 0.00 0.00 32.46 31.31 1ija n ARG 101 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ija n ASP 102 N -0.08 1.45 0.00 0.55 5.68 0.83 -2.08 116.55 122.89 1ija n ASP 102 Ca 0.01 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.61 1ija n ASP 102 Cb 0.54 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1ija n ASP 102 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1ija n VAL 103 N 2.63 0.00 -3.36 2.12 0.31 -1.26 -4.72 118.33 114.06 1ija n VAL 103 Ca 0.09 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.24 1ija n VAL 103 Cb 0.23 0.60 0.07 0.00 -0.91 0.00 0.00 33.84 33.82 1ija n VAL 103 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ija n LYS 104 N 0.00 -2.83 0.00 5.55 5.02 -0.88 -4.88 118.16 120.13 1ija n LYS 104 Ca 0.00 0.80 0.14 0.00 -2.02 0.00 0.00 58.31 57.23 1ija n LYS 104 Cb 0.48 -5.57 0.75 0.00 -0.02 0.00 0.00 35.03 30.67 1ija n LYS 104 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1ija n PRO 105 N -3.54 0.52 -3.97 1.97 -0.04 -1.26 -4.93 135.00 123.75 1ija n PRO 105 Ca -0.11 0.01 -0.33 0.00 -0.04 0.00 0.00 63.50 63.03 1ija n PRO 105 Cb 0.63 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.23 -1.73 0.00 0.52 5.66 -1.26 -4.85 114.28 111.39 1ija n THR 106 Ca 0.15 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1ija n THR 106 Cb 0.20 -1.48 0.00 0.00 -1.55 0.00 0.00 70.33 67.50 1ija n THR 106 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ija n ASP 107 N -1.24 0.00 -0.57 1.09 2.03 -1.26 -4.67 116.55 111.93 1ija n ASP 107 Ca -0.09 0.89 -0.00 0.00 0.52 0.00 0.00 54.79 56.12 1ija n ASP 107 Cb 0.40 -0.39 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ija n ASP 107 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ija n VAL 108 N -1.75 0.00 0.00 5.18 0.24 -1.26 -5.09 118.33 115.64 1ija n VAL 108 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1ija n VAL 108 Cb 0.00 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 0.02 3.66 0.19 7.63 0.00 -1.26 -4.89 105.19 110.54 1ija n GLY 109 Ca -0.01 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 1.17 -2.17 1.61 -1.51 -1.98 -3.34 116.25 110.02 1ija h VAL 110 Ca 0.00 -1.37 -0.57 0.00 -1.23 0.00 0.00 66.70 63.53 1ija h VAL 110 Cb 0.00 1.76 -0.39 0.00 -2.13 0.00 0.00 31.29 30.53 1ija h VAL 110 CO 0.00 0.38 -1.03 0.18 -1.23 0.00 0.00 177.57 175.87 1ija n LEU 111 N -3.92 0.16 0.00 4.19 4.77 -1.26 -5.05 117.00 115.89 1ija n LEU 111 Ca -0.02 -4.62 0.00 0.00 -0.03 0.00 0.00 56.01 51.34 1ija n LEU 111 Cb 0.44 0.51 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 1ija n LEU 111 CO 0.38 1.99 0.00 -0.67 -1.33 0.00 0.00 177.39 177.76 1ija n ASP 112 N 1.91 0.00 -1.04 -1.43 -0.08 -1.26 -5.07 116.55 109.60 1ija n ASP 112 Ca 0.25 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.54 1ija n ASP 112 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1ija n ASP 112 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ija n GLU 113 N 0.00 0.00 -1.25 -0.67 0.28 -1.26 -4.82 120.64 112.92 1ija n GLU 113 Ca 0.00 -1.42 0.01 0.00 -0.16 0.00 0.00 57.16 55.60 1ija n GLU 113 Cb 0.00 -0.13 0.00 0.00 1.43 0.00 0.00 31.44 32.74 1ija n GLU 113 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ija n GLN 114 N 0.24 0.00 -1.41 3.44 3.00 -1.26 -4.85 117.38 116.54 1ija n GLN 114 Ca 0.00 -1.63 -0.36 0.00 -0.01 0.00 0.00 57.00 55.01 1ija n GLN 114 Cb 0.91 0.02 0.09 0.00 0.00 0.00 0.00 30.24 31.26 1ija n GLN 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1ija n LYS 115 N 0.33 0.60 0.00 -1.09 4.76 -1.26 -4.39 118.16 117.11 1ija n LYS 115 Ca -0.01 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1ija n LYS 115 Cb 0.99 -2.32 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 1ija n LYS 115 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ija n GLY 116 N 0.99 0.92 0.84 0.72 0.00 -1.26 -4.16 105.19 103.24 1ija n GLY 116 Ca 0.14 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 -4.50 1.61 5.02 -1.26 -5.15 118.16 113.88 1ija n LYS 117 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1ija n LYS 117 Cb 0.00 -0.03 -0.10 0.00 -0.02 0.00 0.00 35.03 34.89 1ija n LYS 117 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ija s ASP 118 N -1.65 4.04 -0.00 4.39 1.11 -1.26 -5.05 116.67 118.25 1ija s ASP 118 Ca 0.00 -1.33 -0.22 0.00 0.18 0.00 0.00 52.55 51.19 1ija s ASP 118 Cb 0.00 -0.32 -0.11 0.00 1.07 0.00 0.00 42.92 43.56 1ija s ASP 118 CO 0.00 -0.52 0.59 0.29 1.18 0.00 0.00 175.17 176.71 1ija n LYS 119 N -1.07 0.00 -4.04 8.23 4.01 -1.26 -4.66 118.16 119.37 1ija n LYS 119 Ca -0.05 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.65 1ija n LYS 119 Cb 0.66 -0.82 -0.07 0.00 -0.51 0.00 0.00 35.03 34.30 1ija n LYS 119 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 1ija s GLN 120 N 0.02 1.32 -0.22 1.97 0.00 -1.19 -1.33 119.66 120.24 1ija s GLN 120 Ca 0.50 -1.32 0.01 0.00 -0.00 0.00 0.00 55.36 54.54 1ija s GLN 120 Cb -0.69 0.39 0.05 0.00 0.00 0.00 0.00 33.01 32.76 1ija s GLN 120 CO 0.31 -0.50 -0.08 -0.51 0.00 0.00 0.00 175.29 174.51 1ija s LEU 121 N -3.04 2.58 -0.96 2.60 1.43 -1.15 -3.03 118.68 117.11 1ija s LEU 121 Ca 0.25 -1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.09 1ija s LEU 121 Cb 0.03 -1.25 0.16 0.00 0.03 0.00 0.00 46.19 45.15 1ija s LEU 121 CO 0.07 -0.19 1.12 -0.89 0.23 0.00 0.00 176.35 176.68 1ija s THR 122 N 1.35 4.97 0.54 5.49 2.01 0.07 -2.41 115.64 127.67 1ija s THR 122 Ca -0.05 -1.97 -0.16 0.00 0.31 0.00 0.00 61.69 59.82 1ija s THR 122 Cb -0.18 -4.74 -0.07 0.00 0.01 0.00 0.00 72.50 67.52 1ija s THR 122 CO -0.07 -1.43 1.01 -0.76 -0.69 0.00 0.00 174.62 172.68 1ija s LEU 123 N 1.93 3.59 0.02 4.42 1.02 -0.78 -2.75 118.68 126.12 1ija s LEU 123 Ca 0.32 1.65 -0.00 0.00 0.02 0.00 0.00 54.13 56.12 1ija s LEU 123 Cb -0.06 -4.52 -0.02 0.00 0.02 0.00 0.00 46.19 41.62 1ija s LEU 123 CO -0.08 -0.77 -0.03 -0.63 0.02 0.00 0.00 176.35 174.87 1ija s ILE 124 N -2.57 0.10 0.32 -0.59 1.01 -0.03 -3.07 121.20 116.38 1ija s ILE 124 Ca 0.60 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 60.50 1ija s ILE 124 Cb -0.12 -0.23 -0.01 0.00 0.01 0.00 0.00 42.46 42.10 1ija s ILE 124 CO 0.33 -0.44 0.47 0.42 0.00 0.00 0.00 174.94 175.71 1ija s THR 125 N -1.30 4.40 -0.01 2.92 -4.23 -1.13 -2.47 115.64 113.82 1ija s THR 125 Ca -0.14 -0.92 -0.11 0.00 -1.18 0.00 0.00 61.69 59.34 1ija s THR 125 Cb -0.09 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 70.22 1ija s THR 125 CO -0.01 -0.24 0.23 0.00 -0.54 0.00 0.00 174.62 174.07 1ija n ASP 127 N 1.42 0.00 -3.01 0.00 2.03 -1.26 -3.27 116.55 112.46 1ija n ASP 127 Ca -0.22 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.08 1ija n ASP 127 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1ija n ASP 127 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ija n ASP 128 N 0.00 -7.73 -4.73 1.67 -0.08 -1.26 -4.22 116.55 100.20 1ija n ASP 128 Ca 0.00 0.01 -0.42 0.00 -1.51 0.00 0.00 54.79 52.87 1ija n ASP 128 Cb 0.00 -5.26 -0.03 0.00 2.34 0.00 0.00 41.12 38.18 1ija n ASP 128 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1ija s TYR 129 N -2.95 3.05 -0.23 -0.67 6.14 -1.26 -2.44 117.35 118.98 1ija s TYR 129 Ca 0.03 0.84 -0.29 0.00 0.64 0.00 0.00 57.07 58.29 1ija s TYR 129 Cb -0.01 -3.86 0.01 0.00 0.42 0.00 0.00 41.96 38.52 1ija s TYR 129 CO 0.74 -2.99 1.06 1.21 0.64 0.00 0.00 175.55 176.21 1ija s ASN 130 N 0.77 7.07 0.00 4.32 2.47 0.11 -4.73 114.94 124.94 1ija s ASN 130 Ca 0.64 1.37 0.26 0.00 0.42 0.00 0.00 52.86 55.56 1ija s ASN 130 Cb -0.42 -2.54 0.85 0.00 -1.45 0.00 0.00 41.25 37.69 1ija s ASN 130 CO 0.37 -0.70 1.63 -1.84 -3.72 0.00 0.00 177.10 172.84 1ija n GLU 131 N 6.40 1.81 -0.01 0.43 0.28 -1.26 -2.15 120.64 126.13 1ija n GLU 131 Ca 0.12 -1.18 -0.01 0.00 -0.16 0.00 0.00 57.16 55.93 1ija n GLU 131 Cb 0.46 -1.47 -0.00 0.00 1.43 0.00 0.00 31.44 31.86 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 2.81 -0.04 -0.01 3.44 1.57 -1.93 -3.38 116.57 119.04 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 0.60 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1ija h LYS 132 CO 0.00 -0.03 -0.57 0.25 -0.57 0.00 0.00 179.45 178.54 1ija n THR 133 N -3.51 0.00 -1.86 -0.16 -2.24 -1.26 -4.97 114.28 100.28 1ija n THR 133 Ca -0.01 -0.09 -0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1ija n THR 133 Cb 0.02 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 1.44 0.58 3.17 3.38 0.00 -1.07 -5.08 105.19 107.62 1ija n GLY 134 Ca 0.08 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.01 0.08 -0.10 1.61 1.01 -0.92 -4.99 120.40 114.09 1ija s VAL 135 Ca 0.01 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 1ija s VAL 135 Cb -0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 1ija s VAL 135 CO 0.02 -0.37 1.90 0.26 0.00 0.00 0.00 175.10 176.91 1ija s TRP 136 N -1.72 1.54 0.00 5.22 0.52 -1.26 0.06 118.94 123.31 1ija s TRP 136 Ca -0.12 0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.11 1ija s TRP 136 Cb -0.05 -4.06 0.00 0.00 -1.15 0.00 0.00 33.47 28.21 1ija s TRP 136 CO 0.01 -4.36 0.18 0.39 0.02 0.00 0.00 176.95 173.19 1ija n GLU 137 N 7.81 0.00 -4.24 4.98 -0.58 -1.02 -4.66 120.64 122.93 1ija n GLU 137 Ca 0.22 0.18 -0.26 0.00 -0.42 0.00 0.00 57.16 56.88 1ija n GLU 137 Cb 0.43 -0.63 -0.08 0.00 -0.57 0.00 0.00 31.44 30.60 1ija n GLU 137 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1ija s LYS 138 N -0.41 2.34 0.00 3.49 2.20 -1.26 -4.98 119.74 121.12 1ija s LYS 138 Ca 0.00 -1.20 0.00 0.00 -0.36 0.00 0.00 55.97 54.41 1ija s LYS 138 Cb 0.00 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 1ija s LYS 138 CO 0.00 0.43 0.00 2.89 -0.36 0.00 0.00 175.35 178.31 1ija n ARG 139 N -0.31 0.00 -3.70 4.03 1.85 -1.26 -4.30 116.66 112.97 1ija n ARG 139 Ca -0.09 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.66 1ija n ARG 139 Cb 0.56 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.92 1ija n ARG 139 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1ija s LYS 140 N 0.90 1.04 -0.05 2.89 1.02 -1.26 -4.92 119.74 119.36 1ija s LYS 140 Ca 0.00 -0.79 -0.02 0.00 0.02 0.00 0.00 55.97 55.18 1ija s LYS 140 Cb 0.00 0.44 0.04 0.00 -0.52 0.00 0.00 37.83 37.79 1ija s LYS 140 CO 0.00 -0.39 0.09 0.42 -0.92 0.00 0.00 175.35 174.55 1ija s ILE 141 N -3.83 -0.09 -0.02 2.17 1.01 -1.26 -2.83 121.20 116.36 1ija s ILE 141 Ca 0.04 0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.82 1ija s ILE 141 Cb 0.02 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.34 1ija s ILE 141 CO -0.11 0.10 0.24 0.72 0.00 0.00 0.00 174.94 175.90 1ija s PHE 142 N 1.39 -0.11 -0.04 3.97 -0.12 -1.17 0.29 117.98 122.18 1ija s PHE 142 Ca -0.06 0.16 0.05 0.00 -0.05 0.00 0.00 56.93 57.03 1ija s PHE 142 Cb -0.12 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.31 1ija s PHE 142 CO -0.04 -0.33 -0.18 0.08 -0.05 0.00 0.00 175.22 174.70 1ija s VAL 143 N -1.21 1.49 0.49 -2.49 1.01 0.31 -1.87 120.40 118.12 1ija s VAL 143 Ca -0.13 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.17 1ija s VAL 143 Cb -0.06 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1ija s VAL 143 CO 0.03 0.43 0.46 0.00 0.00 0.00 0.00 175.10 176.02 1ija s ALA 144 N -0.07 4.33 -0.01 5.51 0.00 -1.01 -1.64 121.76 128.86 1ija s ALA 144 Ca -0.02 -1.69 -0.00 0.00 0.00 0.00 0.00 51.96 50.25 1ija s ALA 144 Cb -0.11 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.04 1ija s ALA 144 CO 0.02 -0.43 0.02 -0.08 0.00 0.00 0.00 175.76 175.29 1ija s THR 145 N -2.62 -0.02 0.23 0.00 -1.32 -1.05 -2.95 115.64 107.90 1ija s THR 145 Ca 0.45 0.09 -0.32 0.00 -1.21 0.00 0.00 61.69 60.70 1ija s THR 145 Cb -0.03 -0.05 -0.12 0.00 -1.51 0.00 0.00 72.50 70.79 1ija s THR 145 CO 0.27 0.04 1.70 1.21 -2.21 0.00 0.00 174.62 175.63 1ija n GLU 146 N 3.53 2.77 -3.36 7.08 2.13 -0.44 -2.21 120.64 130.14 1ija n GLU 146 Ca -0.18 1.00 -0.34 0.00 0.66 0.00 0.00 57.16 58.29 1ija n GLU 146 Cb 0.56 -2.83 -0.06 0.00 0.27 0.00 0.00 31.44 29.38 1ija n GLU 146 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1ija s VAL 147 N 0.92 4.87 -2.48 6.31 -7.23 -1.26 -4.94 120.40 116.59 1ija s VAL 147 Ca 0.73 0.72 0.28 0.00 -1.81 0.00 0.00 61.98 61.90 1ija s VAL 147 Cb -0.50 -3.69 0.56 0.00 0.56 0.00 0.00 36.38 33.31 1ija s VAL 147 CO 0.36 0.12 1.76 2.29 -0.31 0.00 0.00 175.10 179.32