#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 4.40 0.00 0.03 -1.52 -1.26 -4.87 119.66 116.44 1ija s GLN 2 Ca 0.00 1.74 -0.02 0.00 -1.95 0.00 0.00 55.36 55.13 1ija s GLN 2 Cb 0.00 -3.44 -0.08 0.00 -0.22 0.00 0.00 33.01 29.27 1ija s GLN 2 CO 0.00 -0.34 1.78 0.00 -0.25 0.00 0.00 175.29 176.48 1ija n ALA 3 N 4.48 3.60 -2.90 6.09 0.00 -1.26 -3.82 120.51 126.71 1ija n ALA 3 Ca 0.10 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.88 1ija n ALA 3 Cb 0.46 -1.83 0.05 0.00 0.00 0.00 0.00 19.45 18.13 1ija n ALA 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ija n LYS 4 N 2.18 1.01 0.00 0.00 4.81 -1.26 -5.00 118.16 119.91 1ija n LYS 4 Ca 0.13 -2.49 0.00 0.00 -0.87 0.00 0.00 58.31 55.07 1ija n LYS 4 Cb 0.42 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.22 1ija n LYS 4 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1ija n PRO 5 N 0.29 -0.54 -2.80 1.64 -0.04 -1.25 -4.90 135.00 127.39 1ija n PRO 5 Ca 0.13 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.15 1ija n PRO 5 Cb 0.69 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.15 1ija n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ija n GLN 6 N -1.20 3.36 -2.95 0.54 10.64 -1.26 -4.97 117.38 121.54 1ija n GLN 6 Ca 0.00 -3.71 -0.42 0.00 -1.83 0.00 0.00 57.00 51.04 1ija n GLN 6 Cb 0.00 -3.10 -0.05 0.00 -0.86 0.00 0.00 30.24 26.23 1ija n GLN 6 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1ija s ILE 7 N 1.85 4.70 0.04 -0.39 1.01 -1.26 -5.00 121.20 122.16 1ija s ILE 7 Ca 0.44 0.80 -0.38 0.00 0.00 0.00 0.00 60.65 61.51 1ija s ILE 7 Cb -0.00 -4.25 -0.18 0.00 0.01 0.00 0.00 42.46 38.04 1ija s ILE 7 CO 0.01 -0.51 1.27 -2.65 0.00 0.00 0.00 174.94 173.06 1ija n PRO 8 N 6.53 0.77 0.20 2.79 -0.02 -1.26 -4.84 135.00 139.18 1ija n PRO 8 Ca 0.03 0.28 0.13 0.00 -2.02 0.00 0.00 63.50 61.92 1ija n PRO 8 Cb 0.48 -1.88 0.26 0.00 -0.02 0.00 0.00 33.50 32.35 1ija n PRO 8 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1ija h LYS 9 N 4.13 0.00 -6.34 -0.52 2.10 -1.94 -3.42 116.57 110.58 1ija h LYS 9 Ca -0.49 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.63 1ija h LYS 9 Cb 1.37 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.62 1ija h LYS 9 CO 0.74 0.00 1.09 0.34 -2.00 0.00 0.00 179.45 179.63 1ija s ASP 10 N -5.82 6.07 0.00 7.07 2.15 -1.26 -4.82 116.67 120.07 1ija s ASP 10 Ca 0.07 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 52.87 1ija s ASP 10 Cb 0.07 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 1ija s ASP 10 CO 0.64 -1.85 0.58 0.29 -0.17 0.00 0.00 175.17 174.66 1ija n LYS 11 N 9.15 0.00 -1.67 4.34 5.02 -1.26 -1.70 118.16 132.03 1ija n LYS 11 Ca 0.07 0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 56.17 1ija n LYS 11 Cb 0.49 -1.51 0.05 0.00 -0.02 0.00 0.00 35.03 34.05 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 -1.08 6.46 -3.79 4.39 2.88 -1.26 -4.68 113.62 116.53 1ija n SER 12 Ca 0.00 -3.77 -0.13 0.00 -1.33 0.00 0.00 58.87 53.64 1ija n SER 12 Cb 0.01 -0.70 -0.12 0.00 -0.75 0.00 0.00 64.21 62.65 1ija n SER 12 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1ija s LYS 13 N -3.73 0.27 0.01 -1.46 2.20 -0.69 -5.11 119.74 111.23 1ija s LYS 13 Ca 0.58 0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 56.22 1ija s LYS 13 Cb 0.46 0.13 -0.08 0.00 -1.51 0.00 0.00 37.83 36.83 1ija s LYS 13 CO -0.00 -0.03 1.94 0.08 -0.36 0.00 0.00 175.35 176.97 1ija s VAL 14 N 0.13 3.10 -0.37 4.02 1.01 -1.26 -4.47 120.40 122.55 1ija s VAL 14 Ca -0.00 0.12 0.22 0.00 0.00 0.00 0.00 61.98 62.32 1ija s VAL 14 Cb -0.02 -3.08 -0.18 0.00 0.00 0.00 0.00 36.38 33.11 1ija s VAL 14 CO 0.00 -0.01 0.84 0.00 0.00 0.00 0.00 175.10 175.93 1ija n ALA 15 N 7.73 3.13 -3.00 5.51 0.00 -1.13 -4.98 120.51 127.78 1ija n ALA 15 Ca 0.20 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1ija n ALA 15 Cb 0.42 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 1.30 1.10 3.09 0.00 0.00 -1.24 -4.49 105.19 104.96 1ija n GLY 16 Ca -0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.70 -0.52 -0.00 1.61 2.02 0.43 -2.98 117.35 113.21 1ija s TYR 17 Ca 0.00 1.11 -0.09 0.00 -0.37 0.00 0.00 57.07 57.72 1ija s TYR 17 Cb 0.00 0.08 -0.05 0.00 -0.40 0.00 0.00 41.96 41.59 1ija s TYR 17 CO 0.00 -0.37 0.30 -1.50 -1.57 0.00 0.00 175.55 172.40 1ija s ILE 18 N 2.28 5.25 -0.08 2.71 2.07 -0.58 -0.64 121.20 132.21 1ija s ILE 18 Ca -0.01 0.35 -0.05 0.00 -1.41 0.00 0.00 60.65 59.53 1ija s ILE 18 Cb -0.12 -3.58 0.03 0.00 0.13 0.00 0.00 42.46 38.93 1ija s ILE 18 CO -0.10 0.44 0.20 -1.61 -1.91 0.00 0.00 174.94 171.96 1ija s GLU 19 N -1.53 0.19 -0.09 3.50 2.02 -0.98 -2.31 118.70 119.49 1ija s GLU 19 Ca 0.26 0.38 -0.04 0.00 0.02 0.00 0.00 54.97 55.59 1ija s GLU 19 Cb -0.14 -0.03 0.05 0.00 0.10 0.00 0.00 34.13 34.11 1ija s GLU 19 CO 0.14 -0.10 0.20 0.42 0.02 0.00 0.00 175.26 175.94 1ija s ILE 20 N 0.72 -0.14 0.01 -1.63 1.01 -0.47 -2.13 121.20 118.57 1ija s ILE 20 Ca -0.05 0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.63 1ija s ILE 20 Cb -0.07 -0.33 -0.25 0.00 0.01 0.00 0.00 42.46 41.82 1ija s ILE 20 CO -0.04 0.09 1.08 1.55 0.00 0.00 0.00 174.94 177.62 1ija h PRO 21 N 7.61 0.46 0.00 2.79 0.13 -1.86 0.17 132.00 141.29 1ija h PRO 21 Ca -0.32 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 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 0.31 1.19 0.20 -3.47 -0.23 0.00 0.00 178.00 176.00 1ija n ASP 22 N -4.11 0.21 -0.04 1.44 -0.08 -1.26 -0.14 116.55 112.57 1ija n ASP 22 Ca -0.11 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.65 1ija n ASP 22 Cb 0.76 -0.46 0.00 0.00 2.34 0.00 0.00 41.12 43.76 1ija n ASP 22 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ija n ALA 23 N -1.48 1.40 -3.42 -1.67 0.00 -1.17 -4.22 120.51 109.95 1ija n ALA 23 Ca -0.01 -0.75 -0.20 0.00 0.00 0.00 0.00 53.44 52.48 1ija n ALA 23 Cb 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.20 -1.84 -4.85 0.00 5.68 0.80 -4.68 116.55 111.47 1ija n ASP 24 Ca 0.01 -0.32 -0.35 0.00 -0.50 0.00 0.00 54.79 53.62 1ija n ASP 24 Cb 0.44 -1.63 -0.06 0.00 -1.14 0.00 0.00 41.12 38.74 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 -2.64 4.92 -0.43 2.12 1.01 0.35 -4.93 121.20 121.59 1ija s ILE 25 Ca 0.38 0.74 0.02 0.00 0.00 0.00 0.00 60.65 61.79 1ija s ILE 25 Cb -0.22 -3.71 0.19 0.00 0.01 0.00 0.00 42.46 38.73 1ija s ILE 25 CO 0.47 0.26 0.83 -0.75 0.00 0.00 0.00 174.94 175.76 1ija s LYS 26 N -1.92 0.70 0.06 2.79 2.20 -1.25 -1.37 119.74 120.94 1ija s LYS 26 Ca 0.36 -0.56 -0.01 0.00 -0.36 0.00 0.00 55.97 55.40 1ija s LYS 26 Cb -0.15 0.00 -0.04 0.00 -1.51 0.00 0.00 37.83 36.14 1ija s LYS 26 CO 0.19 -0.91 -0.01 -1.21 -0.36 0.00 0.00 175.35 173.04 1ija s GLU 27 N 1.25 0.64 0.74 4.03 2.02 -0.98 -4.99 118.70 121.42 1ija s GLU 27 Ca 0.23 -1.22 -0.11 0.00 0.02 0.00 0.00 54.97 53.89 1ija s GLU 27 Cb 0.03 0.22 0.03 0.00 0.10 0.00 0.00 34.13 34.51 1ija s GLU 27 CO -0.08 -0.13 1.10 -1.25 0.02 0.00 0.00 175.26 174.93 1ija s PRO 28 N -3.92 2.58 -0.22 0.39 0.04 -1.26 -1.53 135.00 131.07 1ija s PRO 28 Ca 0.08 0.49 -0.03 0.00 0.04 0.00 0.00 61.00 61.58 1ija s PRO 28 Cb 0.08 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.70 1ija s PRO 28 CO -0.09 -1.24 0.05 0.08 0.04 0.00 0.00 177.00 175.84 1ija s VAL 29 N -3.31 0.53 0.63 -0.36 1.01 -1.16 -3.60 120.40 114.14 1ija s VAL 29 Ca 0.59 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 1ija s VAL 29 Cb -0.12 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1ija s VAL 29 CO 0.52 -0.32 1.08 -0.31 0.00 0.00 0.00 175.10 176.07 1ija s TYR 30 N 1.84 2.86 -0.27 5.22 2.02 -0.39 -2.82 117.35 125.82 1ija s TYR 30 Ca 0.01 1.52 -0.24 0.00 -0.37 0.00 0.00 57.07 57.99 1ija s TYR 30 Cb -0.17 -3.05 -0.00 0.00 -0.40 0.00 0.00 41.96 38.34 1ija s TYR 30 CO -0.13 -1.35 0.82 -1.25 -1.57 0.00 0.00 175.55 172.07 1ija s PRO 31 N -4.22 4.10 0.00 -1.71 0.04 -1.26 -2.92 135.00 129.03 1ija s PRO 31 Ca 0.64 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1ija s PRO 31 Cb -0.17 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1ija s PRO 31 CO 0.41 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1ija n GLY 32 N 3.92 -1.83 3.64 0.56 0.00 -1.26 -4.53 105.19 105.69 1ija n GLY 32 Ca 0.05 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 1ija n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ija s PRO 33 N -1.67 4.12 -0.71 1.61 0.04 -1.26 -3.05 135.00 134.08 1ija s PRO 33 Ca 0.00 1.11 -0.14 0.00 0.04 0.00 0.00 61.00 62.02 1ija s PRO 33 Cb 0.00 -3.70 -0.19 0.00 0.04 0.00 0.00 34.50 30.65 1ija s PRO 33 CO 0.00 -0.79 1.90 0.00 0.04 0.00 0.00 177.00 178.15 1ija n ALA 34 N 6.63 0.63 -2.82 8.56 0.00 -1.01 -4.85 120.51 127.64 1ija n ALA 34 Ca 0.11 -1.24 -0.27 0.00 0.00 0.00 0.00 53.44 52.04 1ija n ALA 34 Cb 0.47 -2.26 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 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 6.34 4.64 0.10 0.00 -4.23 -1.26 -4.99 115.64 116.25 1ija s THR 35 Ca 0.80 -0.95 -0.17 0.00 -1.18 0.00 0.00 61.69 60.19 1ija s THR 35 Cb -0.33 -3.35 -0.05 0.00 1.34 0.00 0.00 72.50 70.11 1ija s THR 35 CO 0.25 -0.06 1.57 1.55 -0.54 0.00 0.00 174.62 177.38 1ija h PRO 36 N 2.54 0.54 0.00 3.99 0.13 -1.99 -1.22 132.00 135.99 1ija h PRO 36 Ca -0.48 -0.15 -0.04 0.00 -0.87 0.00 0.00 66.00 64.47 1ija h PRO 36 Cb 1.19 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1ija h PRO 36 CO 0.65 0.65 -0.17 1.05 -0.23 0.00 0.00 178.00 179.94 1ija h GLU 37 N 0.35 0.00 0.00 0.86 4.11 -1.98 -2.60 114.58 115.33 1ija h GLU 37 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1ija h GLU 37 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ija h GLU 37 CO 0.01 0.17 -0.06 0.37 0.07 0.00 0.00 179.01 179.57 1ija h GLN 38 N 0.00 0.00 0.00 1.06 -0.00 -1.87 -3.30 115.11 111.00 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 0.35 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.83 1ija h GLN 38 CO 0.02 0.00 0.67 -0.07 0.00 0.00 0.00 178.83 179.45 1ija h LEU 39 N -0.47 0.00 -2.08 -2.39 3.38 -1.29 1.00 115.31 113.47 1ija h LEU 39 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1ija h LEU 39 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ija h LEU 39 CO 0.00 0.00 0.12 0.78 0.09 0.00 0.00 178.44 179.43 1ija h ASN 40 N 0.00 0.00 1.27 -0.43 -0.26 -1.53 0.76 115.58 115.38 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 1.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.59 1ija h ASN 40 CO 0.00 0.00 -0.27 0.03 -1.06 0.00 0.00 177.43 176.13 1ija h ARG 41 N 0.00 0.00 0.00 0.81 3.08 0.86 -3.49 114.38 115.64 1ija h ARG 41 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1ija h ARG 41 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1ija h ARG 41 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1ija n GLY 42 N 1.30 -0.51 3.82 0.04 0.00 0.26 -5.11 105.19 105.00 1ija n GLY 42 Ca 0.04 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.05 4.43 0.08 1.61 1.01 -1.24 -4.26 120.40 118.98 1ija s VAL 43 Ca 0.00 -1.41 -0.20 0.00 0.00 0.00 0.00 61.98 60.36 1ija s VAL 43 Cb 0.00 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 33.03 1ija s VAL 43 CO 0.00 -0.35 0.49 -0.55 0.00 0.00 0.00 175.10 174.69 1ija s SER 44 N -3.84 -0.39 1.20 3.32 0.15 -1.19 -1.26 113.70 111.70 1ija s SER 44 Ca 0.33 0.01 -0.17 0.00 0.70 0.00 0.00 55.95 56.82 1ija s SER 44 Cb -0.08 0.49 0.23 0.00 -1.71 0.00 0.00 66.02 64.96 1ija s SER 44 CO 0.25 -0.78 0.57 0.49 1.20 0.00 0.00 173.24 174.97 1ija n PHE 45 N 0.17 -1.82 1.07 3.44 3.72 -1.15 -2.46 117.46 120.43 1ija n PHE 45 Ca -0.18 -0.15 0.13 0.00 -0.05 0.00 0.00 57.45 57.21 1ija n PHE 45 Cb 0.62 -1.56 0.49 0.00 -0.94 0.00 0.00 39.48 38.08 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 -4.90 2.84 -3.31 4.37 0.00 0.58 -2.40 120.51 117.69 1ija n ALA 46 Ca 0.03 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 1ija n ALA 46 Cb 0.56 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.91 0.64 0.52 0.00 2.02 -1.25 -3.94 118.70 113.77 1ija s GLU 47 Ca 0.16 0.21 0.23 0.00 0.02 0.00 0.00 54.97 55.59 1ija s GLU 47 Cb 0.19 0.30 1.40 0.00 0.10 0.00 0.00 34.13 36.12 1ija s GLU 47 CO 0.58 -0.15 2.10 1.05 0.02 0.00 0.00 175.26 178.86 1ija h GLU 48 N 4.47 0.00 -0.04 1.61 4.11 -1.87 -1.31 114.58 121.56 1ija h GLU 48 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1ija h GLU 48 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ija h GLU 48 CO 0.33 0.10 0.00 0.27 0.07 0.00 0.00 179.01 179.78 1ija n ASN 49 N -3.95 1.02 -4.75 3.06 2.04 -1.26 -4.58 115.26 106.85 1ija n ASN 49 Ca -0.02 -1.40 -0.36 0.00 -0.44 0.00 0.00 54.58 52.35 1ija n ASN 49 Cb 0.19 -0.02 0.04 0.00 -2.53 0.00 0.00 39.78 37.47 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 1ija s GLU 50 N -1.96 2.85 0.09 -3.83 2.56 -0.49 -5.00 118.70 112.91 1ija s GLU 50 Ca 0.39 1.87 -0.09 0.00 0.00 0.00 0.00 54.97 57.13 1ija s GLU 50 Cb 0.20 -1.91 0.00 0.00 2.00 0.00 0.00 34.13 34.42 1ija s GLU 50 CO 0.32 -1.31 0.21 -1.54 -0.56 0.00 0.00 175.26 172.37 1ija s SER 51 N -1.58 0.09 0.00 -1.70 1.04 -1.26 -4.93 113.70 105.35 1ija s SER 51 Ca 0.78 -0.61 0.11 0.00 0.48 0.00 0.00 55.95 56.70 1ija s SER 51 Cb -0.32 0.35 0.63 0.00 0.10 0.00 0.00 66.02 66.78 1ija s SER 51 CO 0.35 -0.73 1.10 0.00 0.98 0.00 0.00 173.24 174.94 1ija n LEU 52 N -0.04 0.00 -0.09 2.42 -0.00 -1.26 -1.58 117.00 116.45 1ija n LEU 52 Ca -0.15 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 55.90 1ija n LEU 52 Cb 0.62 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.02 1ija n LEU 52 CO 0.22 0.00 0.08 0.47 -0.00 0.00 0.00 177.39 178.16 1ija n ASP 53 N -0.78 0.72 -4.62 1.45 9.92 -1.26 -4.97 116.55 116.99 1ija n ASP 53 Ca 0.08 -0.86 -0.43 0.00 -0.53 0.00 0.00 54.79 53.05 1ija n ASP 53 Cb 0.04 0.75 -0.03 0.00 -0.64 0.00 0.00 41.12 41.23 1ija n ASP 53 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ija s ASP 54 N -1.49 5.85 0.48 -2.24 -1.08 -0.61 -4.75 116.67 112.82 1ija s ASP 54 Ca 0.05 2.19 0.12 0.00 -0.52 0.00 0.00 52.55 54.39 1ija s ASP 54 Cb 0.06 -2.52 0.68 0.00 -1.46 0.00 0.00 42.92 39.68 1ija s ASP 54 CO 0.27 -1.60 1.30 -0.61 0.52 0.00 0.00 175.17 175.04 1ija h GLN 55 N 13.27 0.00 -3.56 4.34 -0.00 -1.90 -3.23 115.11 124.03 1ija h GLN 55 Ca -0.44 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 57.65 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 1.21 0.00 0.00 0.00 178.83 180.23 1ija s ASN 56 N -3.42 3.54 0.16 -0.69 3.84 -1.26 -2.19 114.94 114.93 1ija s ASN 56 Ca -0.01 -1.26 -0.05 0.00 0.21 0.00 0.00 52.86 51.75 1ija s ASN 56 Cb 0.04 -0.75 -0.06 0.00 -0.55 0.00 0.00 41.25 39.93 1ija s ASN 56 CO 0.11 -0.36 0.40 -0.63 -2.79 0.00 0.00 177.10 173.84 1ija s ILE 57 N 1.73 5.14 -0.15 -5.21 1.01 -1.18 -4.97 121.20 117.58 1ija s ILE 57 Ca 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 1ija s ILE 57 Cb -0.17 -3.64 0.07 0.00 0.01 0.00 0.00 42.46 38.73 1ija s ILE 57 CO -0.18 -0.01 0.20 -0.94 0.00 0.00 0.00 174.94 174.01 1ija s SER 58 N -2.53 1.06 0.33 3.58 1.04 -1.26 0.12 113.70 116.04 1ija s SER 58 Ca 0.42 0.08 0.08 0.00 0.48 0.00 0.00 55.95 57.01 1ija s SER 58 Cb -0.12 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1ija s SER 58 CO 0.25 -0.28 0.16 -0.63 0.98 0.00 0.00 173.24 173.71 1ija s ILE 59 N 2.32 3.20 -0.03 -1.02 1.01 -1.02 0.22 121.20 125.88 1ija s ILE 59 Ca 0.04 -1.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.03 1ija s ILE 59 Cb -0.14 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.32 1ija s ILE 59 CO -0.09 -0.20 0.07 0.00 0.00 0.00 0.00 174.94 174.72 1ija s ALA 60 N -2.38 -0.17 0.03 9.38 0.00 -1.03 -0.50 121.76 127.09 1ija s ALA 60 Ca 0.38 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.49 1ija s ALA 60 Cb -0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 1ija s ALA 60 CO 0.23 -0.04 0.13 0.20 0.00 0.00 0.00 175.76 176.28 1ija s GLY 61 N 0.13 0.11 1.12 0.00 0.00 -1.03 -3.15 107.32 104.50 1ija s GLY 61 Ca -0.01 -0.37 -0.18 0.00 0.00 0.00 0.00 44.72 44.17 1ija s GLY 61 CO -0.00 -0.52 1.16 0.30 0.00 0.00 0.00 173.10 174.04 1ija s HIS 62 N -2.23 0.95 -0.49 1.90 3.76 -1.26 -0.84 115.29 117.08 1ija s HIS 62 Ca -0.08 0.50 0.07 0.00 -0.15 0.00 0.00 55.06 55.40 1ija s HIS 62 Cb -0.03 -3.60 0.19 0.00 1.11 0.00 0.00 32.58 30.24 1ija s HIS 62 CO -0.03 -3.45 0.68 -0.08 -0.85 0.00 0.00 174.74 171.02 1ija s THR 63 N -3.23 -0.92 -0.28 1.30 -1.32 -1.21 0.13 115.64 110.11 1ija s THR 63 Ca 0.71 -0.88 -0.21 0.00 -1.21 0.00 0.00 61.69 60.10 1ija s THR 63 Cb -0.09 -0.07 -0.01 0.00 -1.51 0.00 0.00 72.50 70.81 1ija s THR 63 CO 0.55 -0.07 0.65 -0.36 -2.21 0.00 0.00 174.62 173.18 1ija s PHE 64 N 1.04 3.25 0.59 9.09 0.40 -1.26 -4.80 117.98 126.28 1ija s PHE 64 Ca 0.27 0.73 0.35 0.00 -0.60 0.00 0.00 56.93 57.69 1ija s PHE 64 Cb -0.01 -2.93 2.02 0.00 0.51 0.00 0.00 43.02 42.61 1ija s PHE 64 CO -0.06 -0.40 2.28 0.82 0.70 0.00 0.00 175.22 178.56 1ija h ILE 65 N 5.48 0.31 -0.22 0.64 1.08 -1.99 0.24 117.51 123.06 1ija h ILE 65 Ca -0.26 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1ija h ILE 65 Cb 1.12 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.92 1ija h ILE 65 CO 0.79 0.01 0.00 -0.67 -0.69 0.00 0.00 178.15 177.60 1ija n ASP 66 N -3.51 1.85 -3.00 1.72 2.03 -1.26 -4.27 116.55 110.11 1ija n ASP 66 Ca -0.03 -2.13 -0.15 0.00 0.52 0.00 0.00 54.79 53.00 1ija n ASP 66 Cb 0.10 -0.33 -0.02 0.00 -0.72 0.00 0.00 41.12 40.15 1ija n ASP 66 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ija n ARG 67 N 0.22 0.58 0.00 -0.67 1.74 0.07 -4.99 116.66 113.61 1ija n ARG 67 Ca 0.09 -2.48 0.00 0.00 -0.77 0.00 0.00 57.85 54.69 1ija n ARG 67 Cb 0.36 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 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 2.13 0.00 -3.02 5.56 -0.02 -1.26 -2.54 135.00 135.85 1ija n PRO 68 Ca 0.18 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 1ija n PRO 68 Cb 0.56 -0.94 0.01 0.00 -0.02 0.00 0.00 33.50 33.11 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 -0.10 -0.44 -3.43 2.55 3.02 -1.26 -4.74 115.26 110.85 1ija n ASN 69 Ca 0.00 -3.24 -0.18 0.00 -0.03 0.00 0.00 54.58 51.12 1ija n ASN 69 Cb 0.00 0.35 -0.11 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.31 -0.37 0.00 3.10 5.04 -1.05 -5.04 117.35 117.72 1ija s TYR 70 Ca 0.33 -0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.82 1ija s TYR 70 Cb 0.31 -0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.15 1ija s TYR 70 CO -0.08 -0.85 0.00 1.04 -1.34 0.00 0.00 175.55 174.32 1ija n GLN 71 N 5.31 0.00 -0.66 4.97 6.02 -1.26 -1.78 117.38 129.97 1ija n GLN 71 Ca -0.03 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.01 1ija n GLN 71 Cb 0.47 0.00 0.31 0.00 1.02 0.00 0.00 30.24 32.03 1ija n GLN 71 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ija n PHE 72 N 7.18 1.55 0.34 1.08 3.01 0.34 -4.39 117.46 126.57 1ija n PHE 72 Ca 0.00 -0.54 0.23 0.00 1.01 0.00 0.00 57.45 58.15 1ija n PHE 72 Cb 0.00 -0.39 1.22 0.00 -0.01 0.00 0.00 39.48 40.30 1ija n PHE 72 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ija h THR 73 N 3.07 0.01 0.00 4.37 2.02 -1.16 -2.81 112.91 118.41 1ija h THR 73 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ija h THR 73 Cb 1.58 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1ija h THR 73 CO 0.36 0.00 -0.76 0.59 0.37 0.00 0.00 175.52 176.07 1ija n ASN 74 N -3.09 3.80 -0.34 4.18 4.13 -1.26 -4.66 115.26 118.01 1ija n ASN 74 Ca -0.03 -0.07 0.10 0.00 1.68 0.00 0.00 54.58 56.26 1ija n ASN 74 Cb 0.07 0.90 0.30 0.00 -1.54 0.00 0.00 39.78 39.52 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 0.82 0.00 3.41 7.12 -1.72 1.88 115.31 126.82 1ija h LEU 75 Ca 0.00 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.07 1ija h LEU 75 Cb 0.00 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.03 1ija h LEU 75 CO 0.00 0.39 0.00 2.29 -0.13 0.00 0.00 178.44 180.99 1ija n LYS 76 N -4.64 0.18 -0.07 1.25 2.85 -1.23 -1.07 118.16 115.43 1ija n LYS 76 Ca 0.20 0.12 -0.08 0.00 -1.05 0.00 0.00 58.31 57.49 1ija n LYS 76 Cb 0.45 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.18 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 -1.16 1.57 -0.58 0.58 0.00 0.64 -4.96 120.51 116.60 1ija n ALA 77 Ca 0.05 -1.11 -0.08 0.00 0.00 0.00 0.00 53.44 52.30 1ija n ALA 77 Cb 0.05 -0.42 0.13 0.00 0.00 0.00 0.00 19.45 19.21 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 -2.66 -2.38 -3.81 0.00 0.00 -0.23 -4.95 120.51 106.47 1ija n ALA 78 Ca -0.26 -0.69 -0.09 0.00 0.00 0.00 0.00 53.44 52.40 1ija n ALA 78 Cb 1.09 -0.06 0.03 0.00 0.00 0.00 0.00 19.45 20.50 1ija n ALA 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ija s LYS 79 N -3.33 2.22 0.57 0.00 -2.85 -1.26 -5.05 119.74 110.04 1ija s LYS 79 Ca 0.30 -1.43 -0.18 0.00 -1.00 0.00 0.00 55.97 53.66 1ija s LYS 79 Cb -0.05 0.62 -0.08 0.00 -2.06 0.00 0.00 37.83 36.25 1ija s LYS 79 CO 0.25 -1.04 0.56 1.17 0.10 0.00 0.00 175.35 176.40 1ija n LYS 80 N -0.54 0.54 0.00 1.78 3.00 -1.26 -0.36 118.16 121.32 1ija n LYS 80 Ca -0.08 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 1ija n LYS 80 Cb 0.60 -1.74 0.00 0.00 0.00 0.00 0.00 35.03 33.89 1ija n LYS 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ija n GLY 81 N 1.74 2.97 3.55 3.14 0.00 -0.81 -4.92 105.19 110.86 1ija n GLY 81 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.95 4.61 1.06 1.61 0.01 0.51 -4.52 113.70 114.03 1ija s SER 82 Ca 0.00 0.96 -0.13 0.00 1.31 0.00 0.00 55.95 58.09 1ija s SER 82 Cb 0.00 -2.51 0.23 0.00 0.21 0.00 0.00 66.02 63.95 1ija s SER 82 CO 0.00 -2.77 1.07 -0.04 0.41 0.00 0.00 173.24 171.91 1ija s MET 83 N 8.00 -0.11 -0.19 12.44 -1.94 -1.26 -2.94 119.30 133.29 1ija s MET 83 Ca 0.92 0.56 -0.04 0.00 -1.71 0.00 0.00 55.69 55.42 1ija s MET 83 Cb -0.16 -1.67 0.09 0.00 2.01 0.00 0.00 34.83 35.09 1ija s MET 83 CO 0.25 -3.11 0.22 0.08 -0.01 0.00 0.00 175.02 172.45 1ija s VAL 84 N -2.82 -0.33 -0.47 -6.03 1.01 -1.15 -4.78 120.40 105.83 1ija s VAL 84 Ca 0.66 -0.08 -0.22 0.00 0.00 0.00 0.00 61.98 62.35 1ija s VAL 84 Cb -0.20 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.56 1ija s VAL 84 CO 0.60 -0.18 0.74 -0.31 0.00 0.00 0.00 175.10 175.95 1ija s TYR 85 N 2.33 2.99 -0.40 5.22 1.51 -0.90 -1.68 117.35 126.41 1ija s TYR 85 Ca 0.06 -0.07 -0.18 0.00 -1.01 0.00 0.00 57.07 55.88 1ija s TYR 85 Cb -0.15 -3.61 0.01 0.00 -0.11 0.00 0.00 41.96 38.10 1ija s TYR 85 CO -0.12 -1.02 0.50 0.12 -1.11 0.00 0.00 175.55 173.92 1ija s PHE 86 N 3.14 3.15 -0.00 2.71 5.36 -0.70 -2.33 117.98 129.30 1ija s PHE 86 Ca 0.25 -0.11 -0.02 0.00 -0.96 0.00 0.00 56.93 56.09 1ija s PHE 86 Cb -0.14 -2.99 -0.04 0.00 -0.34 0.00 0.00 43.02 39.51 1ija s PHE 86 CO 0.19 -0.67 0.17 0.21 -1.46 0.00 0.00 175.22 173.65 1ija s LYS 87 N 2.36 3.37 0.24 10.12 2.20 0.19 -2.16 119.74 136.07 1ija s LYS 87 Ca 0.16 -0.36 0.02 0.00 -0.36 0.00 0.00 55.97 55.44 1ija s LYS 87 Cb -0.16 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.06 1ija s LYS 87 CO 0.15 0.67 0.05 0.08 -0.36 0.00 0.00 175.35 175.93 1ija s VAL 88 N -1.31 0.78 0.49 4.02 1.01 0.57 -0.43 120.40 125.53 1ija s VAL 88 Ca 0.27 -2.01 0.34 0.00 0.00 0.00 0.00 61.98 60.58 1ija s VAL 88 Cb -0.13 -2.47 0.54 0.00 0.00 0.00 0.00 36.38 34.32 1ija s VAL 88 CO 0.18 -0.19 1.71 1.23 0.00 0.00 0.00 175.10 178.04 1ija h GLY 89 N 2.44 0.59 -5.03 4.51 0.00 -1.94 -3.07 103.07 100.58 1ija h GLY 89 Ca -0.38 -0.07 -0.25 0.00 0.00 0.00 0.00 47.33 46.63 1ija h GLY 89 CO 0.63 -0.13 -0.59 0.70 0.00 0.00 0.00 176.54 177.15 1ija n ASN 90 N -4.36 -0.82 -3.38 0.19 3.02 -1.26 -5.09 115.26 103.56 1ija n ASN 90 Ca 0.32 -2.45 0.02 0.00 -0.03 0.00 0.00 54.58 52.44 1ija n ASN 90 Cb 1.36 0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 40.99 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 -0.86 0.24 -0.11 3.52 2.12 -1.16 -5.16 118.70 117.29 1ija s GLU 91 Ca 0.21 0.58 0.02 0.00 0.36 0.00 0.00 54.97 56.14 1ija s GLU 91 Cb 0.42 0.32 0.01 0.00 0.26 0.00 0.00 34.13 35.14 1ija s GLU 91 CO -0.06 -0.08 -0.16 -0.08 -0.54 0.00 0.00 175.26 174.34 1ija s THR 92 N 2.24 1.51 0.35 -1.70 -1.32 -1.26 -0.31 115.64 115.15 1ija s THR 92 Ca -0.03 -0.66 0.04 0.00 -1.21 0.00 0.00 61.69 59.83 1ija s THR 92 Cb -0.05 -1.38 -0.04 0.00 -1.51 0.00 0.00 72.50 69.53 1ija s THR 92 CO -0.17 0.44 0.14 -0.13 -2.21 0.00 0.00 174.62 172.69 1ija s ARG 93 N 0.93 1.75 -0.09 7.08 3.00 -0.92 -5.01 118.95 125.70 1ija s ARG 93 Ca -0.08 -2.03 -0.05 0.00 0.00 0.00 0.00 55.73 53.57 1ija s ARG 93 Cb -0.15 -0.41 0.04 0.00 0.00 0.00 0.00 34.95 34.42 1ija s ARG 93 CO -0.01 -0.43 0.20 -1.59 0.00 0.00 0.00 175.30 173.47 1ija s LYS 94 N -3.77 0.18 0.42 3.54 -2.85 -1.26 -1.72 119.74 114.28 1ija s LYS 94 Ca 0.31 0.41 0.06 0.00 -1.00 0.00 0.00 55.97 55.75 1ija s LYS 94 Cb 0.04 -0.08 0.06 0.00 -2.06 0.00 0.00 37.83 35.80 1ija s LYS 94 CO 0.16 -0.13 0.51 0.66 0.10 0.00 0.00 175.35 176.65 1ija n TYR 95 N 3.88 -1.99 -3.58 1.78 4.02 -0.68 -4.33 117.16 116.27 1ija n TYR 95 Ca -0.22 -1.61 -0.23 0.00 -0.01 0.00 0.00 57.90 55.82 1ija n TYR 95 Cb 0.54 -0.38 -0.16 0.00 -0.02 0.00 0.00 39.34 39.32 1ija n TYR 95 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1ija s LYS 96 N -3.86 0.09 -0.33 -0.72 2.20 -0.93 -2.94 119.74 113.25 1ija s LYS 96 Ca 0.38 0.04 -0.38 0.00 -0.36 0.00 0.00 55.97 55.65 1ija s LYS 96 Cb -0.03 -1.55 -0.14 0.00 -1.51 0.00 0.00 37.83 34.60 1ija s LYS 96 CO 0.24 -0.64 1.99 -0.12 -0.36 0.00 0.00 175.35 176.46 1ija n MET 97 N 5.29 0.99 -1.02 4.03 0.00 -1.15 -3.07 117.12 122.19 1ija n MET 97 Ca -0.06 0.32 0.00 0.00 -0.00 0.00 0.00 57.70 57.96 1ija n MET 97 Cb 0.49 -2.19 -0.01 0.00 0.00 0.00 0.00 33.22 31.52 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 5.97 0.00 -3.50 1.12 -1.04 -1.19 -1.91 114.28 113.73 1ija n THR 98 Ca 0.36 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1ija n THR 98 Cb 0.15 0.65 -0.05 0.00 -1.82 0.00 0.00 70.33 69.26 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 -1.30 -0.52 0.02 8.00 0.01 -0.91 -4.95 113.70 114.05 1ija s SER 99 Ca 0.14 0.76 0.01 0.00 1.31 0.00 0.00 55.95 58.17 1ija s SER 99 Cb 0.16 1.45 -0.02 0.00 0.21 0.00 0.00 66.02 67.83 1ija s SER 99 CO -0.07 -0.11 -0.04 -0.63 0.41 0.00 0.00 173.24 172.80 1ija s ILE 100 N 1.98 0.25 0.00 1.44 1.01 -1.26 0.92 121.20 125.53 1ija s ILE 100 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1ija s ILE 100 Cb -0.05 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.10 1ija s ILE 100 CO -0.16 -0.29 0.00 0.54 0.00 0.00 0.00 174.94 175.03 1ija n ARG 101 N 2.03 3.39 -0.56 2.79 3.00 -1.18 -4.93 116.66 121.19 1ija n ARG 101 Ca -0.20 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.63 1ija n ARG 101 Cb 0.56 -0.95 -0.00 0.00 0.00 0.00 0.00 32.46 32.07 1ija n ARG 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ija n ASP 102 N -1.82 -3.02 -3.41 0.55 8.00 0.80 -4.78 116.55 112.87 1ija n ASP 102 Ca 0.00 0.02 -0.04 0.00 0.71 0.00 0.00 54.79 55.48 1ija n ASP 102 Cb 0.42 -2.07 -0.06 0.00 -0.02 0.00 0.00 41.12 39.40 1ija n ASP 102 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ija s VAL 103 N -0.61 -0.79 0.08 2.53 1.01 -1.26 -4.37 120.40 116.99 1ija s VAL 103 Ca 0.00 0.02 -0.35 0.00 0.00 0.00 0.00 61.98 61.65 1ija s VAL 103 Cb 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 36.38 35.35 1ija s VAL 103 CO 0.00 -0.02 1.54 0.50 0.00 0.00 0.00 175.10 177.12 1ija h LYS 104 N 8.10 -0.95 -5.10 2.72 3.64 -1.86 -3.30 116.57 119.81 1ija h LYS 104 Ca -0.19 0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.09 1ija h LYS 104 Cb 1.14 0.22 0.02 0.00 -0.41 0.00 0.00 32.23 33.19 1ija h LYS 104 CO 0.21 -0.64 0.43 -0.35 -2.27 0.00 0.00 179.45 176.83 1ija n PRO 105 N -5.43 0.31 0.00 1.90 -0.04 -1.26 -4.36 135.00 126.12 1ija n PRO 105 Ca -0.12 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 1ija n PRO 105 Cb 0.45 -3.66 0.00 0.00 -0.04 0.00 0.00 33.50 30.25 1ija n PRO 105 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ija n THR 106 N 8.53 0.00 -1.94 0.52 -2.24 -1.25 -5.10 114.28 112.80 1ija n THR 106 Ca 0.43 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 62.01 1ija n THR 106 Cb 0.46 -0.51 0.12 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.99 0.37 -1.00 3.42 8.00 -1.26 -4.86 116.55 119.23 1ija n ASP 107 Ca 0.00 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 54.00 1ija n ASP 107 Cb 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 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 -3.00 0.72 0.00 2.53 0.24 -1.26 -4.57 118.33 112.99 1ija n VAL 108 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 1ija n VAL 108 Cb 0.41 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 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 0.64 2.98 0.26 7.63 0.00 -1.26 -4.91 105.19 110.53 1ija n GLY 109 Ca 0.00 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 0.47 -2.46 1.61 -1.51 -1.82 -3.33 116.25 109.21 1ija h VAL 110 Ca 0.00 -0.60 -0.59 0.00 -1.23 0.00 0.00 66.70 64.28 1ija h VAL 110 Cb 0.00 1.41 -0.38 0.00 -2.13 0.00 0.00 31.29 30.19 1ija h VAL 110 CO 0.00 0.12 -0.93 -0.76 -1.23 0.00 0.00 177.57 174.77 1ija s LEU 111 N -7.00 1.66 0.00 4.19 1.43 -1.26 -4.87 118.68 112.83 1ija s LEU 111 Ca -0.02 -3.03 0.00 0.00 -1.03 0.00 0.00 54.13 50.05 1ija s LEU 111 Cb 0.12 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.80 1ija s LEU 111 CO 0.58 -0.18 0.00 -0.67 0.23 0.00 0.00 176.35 176.31 1ija n ASP 112 N 2.92 0.00 -2.67 2.29 -0.08 -1.25 -5.02 116.55 112.74 1ija n ASP 112 Ca 0.27 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.51 1ija n ASP 112 Cb 0.45 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.00 1ija n ASP 112 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1ija n GLU 113 N -0.02 0.28 -0.46 -0.67 2.13 -1.26 -4.96 120.64 115.68 1ija n GLU 113 Ca 0.00 -0.87 0.00 0.00 0.66 0.00 0.00 57.16 56.95 1ija n GLU 113 Cb 0.00 -0.20 0.00 0.00 0.27 0.00 0.00 31.44 31.51 1ija n GLU 113 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1ija n GLN 114 N 0.18 0.00 -0.09 5.31 3.00 -1.26 -4.86 117.38 119.66 1ija n GLN 114 Ca -0.10 -0.54 0.04 0.00 -0.01 0.00 0.00 57.00 56.40 1ija n GLN 114 Cb 0.73 -0.28 0.13 0.00 0.00 0.00 0.00 30.24 30.82 1ija n GLN 114 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1ija n LYS 115 N 0.00 1.45 -0.52 -1.09 2.85 -1.26 -3.79 118.16 115.80 1ija n LYS 115 Ca 0.00 -0.70 0.06 0.00 -1.05 0.00 0.00 58.31 56.61 1ija n LYS 115 Cb 0.60 -1.18 0.26 0.00 -0.65 0.00 0.00 35.03 34.07 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 0.84 2.21 0.00 2.58 0.00 -1.26 -4.74 105.19 104.82 1ija n GLY 116 Ca 0.08 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.56 2.81 -4.60 1.61 4.76 -1.25 -5.10 118.16 116.95 1ija n LYS 117 Ca 0.18 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.32 1ija n LYS 117 Cb 0.77 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.84 1ija n LYS 117 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ija s ASP 118 N -1.00 3.81 0.00 4.39 2.15 -1.26 -4.96 116.67 119.80 1ija s ASP 118 Ca 0.00 -0.45 0.00 0.00 0.43 0.00 0.00 52.55 52.53 1ija s ASP 118 Cb 0.00 -0.60 0.00 0.00 -0.30 0.00 0.00 42.92 42.02 1ija s ASP 118 CO 0.00 0.24 0.00 1.17 -0.17 0.00 0.00 175.17 176.41 1ija n LYS 119 N 1.43 0.00 -2.68 4.34 3.00 -1.26 -4.57 118.16 118.42 1ija n LYS 119 Ca -0.16 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 57.93 1ija n LYS 119 Cb 0.52 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.62 1ija n LYS 119 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1ija s GLN 120 N 0.00 2.22 -0.31 1.64 -0.21 -0.93 -1.50 119.66 120.57 1ija s GLN 120 Ca 0.00 -1.01 0.02 0.00 0.02 0.00 0.00 55.36 54.40 1ija s GLN 120 Cb 0.00 -2.46 0.16 0.00 1.00 0.00 0.00 33.01 31.71 1ija s GLN 120 CO 0.00 -0.97 0.41 -1.17 -2.12 0.00 0.00 175.29 171.44 1ija s LEU 121 N -4.87 -0.72 -0.86 2.90 2.96 -1.01 -3.10 118.68 113.98 1ija s LEU 121 Ca 0.61 -0.56 -0.18 0.00 -0.22 0.00 0.00 54.13 53.77 1ija s LEU 121 Cb -0.08 1.07 0.14 0.00 0.50 0.00 0.00 46.19 47.82 1ija s LEU 121 CO 0.40 -0.33 1.00 -0.89 -1.32 0.00 0.00 176.35 175.21 1ija s THR 122 N 2.37 4.89 0.46 3.68 2.01 0.12 -2.25 115.64 126.93 1ija s THR 122 Ca 0.11 -1.62 -0.22 0.00 0.31 0.00 0.00 61.69 60.27 1ija s THR 122 Cb -0.12 -4.68 -0.08 0.00 0.01 0.00 0.00 72.50 67.63 1ija s THR 122 CO -0.26 -1.37 1.12 -0.76 -0.69 0.00 0.00 174.62 172.66 1ija s LEU 123 N 2.27 3.97 0.03 4.42 1.43 -0.84 -2.44 118.68 127.53 1ija s LEU 123 Ca 0.27 2.19 0.02 0.00 -1.03 0.00 0.00 54.13 55.57 1ija s LEU 123 Cb -0.09 -4.32 -0.02 0.00 0.03 0.00 0.00 46.19 41.79 1ija s LEU 123 CO -0.06 -0.87 -0.06 -0.63 0.23 0.00 0.00 176.35 174.95 1ija s ILE 124 N -1.65 0.43 0.22 -0.59 1.01 0.35 -2.11 121.20 118.85 1ija s ILE 124 Ca 0.64 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 60.37 1ija s ILE 124 Cb -0.25 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 1ija s ILE 124 CO 0.30 -0.38 0.28 0.42 0.00 0.00 0.00 174.94 175.57 1ija s THR 125 N -1.31 4.96 -0.10 2.92 -4.23 -1.17 -2.45 115.64 114.26 1ija s THR 125 Ca -0.11 -1.08 -0.08 0.00 -1.18 0.00 0.00 61.69 59.25 1ija s THR 125 Cb -0.09 -3.66 0.03 0.00 1.34 0.00 0.00 72.50 70.12 1ija s THR 125 CO 0.00 -0.28 0.25 0.00 -0.54 0.00 0.00 174.62 174.05 1ija n ASP 127 N 3.22 0.00 -2.80 0.00 2.03 -1.26 -3.30 116.55 114.44 1ija n ASP 127 Ca -0.15 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.05 1ija n ASP 127 Cb 0.57 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.02 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 -5.48 -4.67 1.67 -0.08 -1.26 -4.28 116.55 102.45 1ija n ASP 128 Ca 0.00 -0.52 -0.42 0.00 -1.51 0.00 0.00 54.79 52.33 1ija n ASP 128 Cb 0.00 -4.02 -0.03 0.00 2.34 0.00 0.00 41.12 39.41 1ija n ASP 128 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1ija s TYR 129 N -3.29 1.97 -0.12 -0.67 6.14 -1.26 -2.62 117.35 117.50 1ija s TYR 129 Ca 0.34 0.08 -0.24 0.00 0.64 0.00 0.00 57.07 57.89 1ija s TYR 129 Cb -0.04 -4.01 -0.03 0.00 0.42 0.00 0.00 41.96 38.30 1ija s TYR 129 CO 0.55 -4.27 0.76 0.54 0.64 0.00 0.00 175.55 173.78 1ija s ASN 130 N 3.27 6.97 0.00 4.32 2.20 -0.56 -4.80 114.94 126.33 1ija s ASN 130 Ca 0.77 1.18 0.17 0.00 -0.94 0.00 0.00 52.86 54.04 1ija s ASN 130 Cb -0.38 -2.43 0.62 0.00 -2.00 0.00 0.00 41.25 37.06 1ija s ASN 130 CO 0.33 -0.26 1.46 -1.84 -2.94 0.00 0.00 177.10 173.86 1ija n GLU 131 N 4.51 1.71 0.04 3.55 0.28 -1.26 -2.62 120.64 126.84 1ija n GLU 131 Ca 0.02 -1.08 -0.05 0.00 -0.16 0.00 0.00 57.16 55.88 1ija n GLU 131 Cb 0.50 -1.35 -0.03 0.00 1.43 0.00 0.00 31.44 31.99 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 2.04 -0.19 -0.02 3.44 1.57 -1.92 -3.36 116.57 118.13 1ija h LYS 132 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1ija h LYS 132 Cb 0.45 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1ija h LYS 132 CO 0.00 -0.03 -0.39 0.25 -0.57 0.00 0.00 179.45 178.71 1ija n THR 133 N -4.90 0.00 -2.68 -0.16 -2.24 -1.26 -4.97 114.28 98.07 1ija n THR 133 Ca -0.04 -0.25 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 1ija n THR 133 Cb 0.13 1.09 0.03 0.00 -2.10 0.00 0.00 70.33 69.48 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 1.39 0.19 3.37 3.38 0.00 -1.11 -5.05 105.19 107.36 1ija n GLY 134 Ca 0.10 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.14 0.04 -0.29 1.61 1.01 -1.08 -5.03 120.40 113.53 1ija s VAL 135 Ca 0.07 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.24 1ija s VAL 135 Cb -0.03 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1ija s VAL 135 CO 0.29 -0.18 1.50 0.26 0.00 0.00 0.00 175.10 176.97 1ija s TRP 136 N -4.02 2.30 0.08 5.22 0.52 -1.26 -1.49 118.94 120.29 1ija s TRP 136 Ca 0.23 0.67 -0.16 0.00 0.02 0.00 0.00 56.10 56.86 1ija s TRP 136 Cb 0.03 -4.03 -0.04 0.00 -1.15 0.00 0.00 33.47 28.29 1ija s TRP 136 CO 0.04 -2.40 1.09 -1.91 0.02 0.00 0.00 176.95 173.79 1ija n GLU 137 N 7.70 -0.22 -4.00 4.98 2.13 -1.08 -4.59 120.64 125.56 1ija n GLU 137 Ca 0.18 1.07 -0.10 0.00 0.66 0.00 0.00 57.16 58.97 1ija n GLU 137 Cb 0.46 -1.58 -0.11 0.00 0.27 0.00 0.00 31.44 30.48 1ija n GLU 137 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ija s LYS 138 N -4.50 0.35 -0.29 5.31 2.20 -1.26 -5.01 119.74 116.55 1ija s LYS 138 Ca -0.06 -0.63 -0.25 0.00 -0.36 0.00 0.00 55.97 54.67 1ija s LYS 138 Cb 0.06 0.03 0.16 0.00 -1.51 0.00 0.00 37.83 36.56 1ija s LYS 138 CO 0.31 -0.03 1.26 -0.98 -0.36 0.00 0.00 175.35 175.55 1ija s ARG 139 N -1.46 0.25 0.79 4.03 1.70 -1.26 -4.34 118.95 118.66 1ija s ARG 139 Ca -0.15 0.30 -0.05 0.00 -0.47 0.00 0.00 55.73 55.37 1ija s ARG 139 Cb -0.10 0.12 0.17 0.00 -0.57 0.00 0.00 34.95 34.57 1ija s ARG 139 CO -0.01 -0.03 1.09 1.63 -1.08 0.00 0.00 175.30 176.90 1ija n LYS 140 N 1.92 -0.47 -3.73 3.89 5.02 -1.26 -4.63 118.16 118.90 1ija n LYS 140 Ca -0.11 -2.47 -0.14 0.00 -2.02 0.00 0.00 58.31 53.57 1ija n LYS 140 Cb 0.56 -0.87 -0.09 0.00 -0.02 0.00 0.00 35.03 34.61 1ija n LYS 140 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1ija s ILE 141 N -3.30 0.02 0.18 -0.18 2.07 -1.26 -3.06 121.20 115.67 1ija s ILE 141 Ca 0.68 -0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.74 1ija s ILE 141 Cb -0.03 -0.62 -0.04 0.00 0.13 0.00 0.00 42.46 41.89 1ija s ILE 141 CO 0.46 -0.10 0.06 -0.36 -1.91 0.00 0.00 174.94 173.09 1ija s PHE 142 N -0.50 1.13 -0.02 3.50 0.40 -0.90 -0.14 117.98 121.45 1ija s PHE 142 Ca -0.06 -1.19 -0.10 0.00 -0.60 0.00 0.00 56.93 54.98 1ija s PHE 142 Cb -0.04 -0.63 0.01 0.00 0.51 0.00 0.00 43.02 42.88 1ija s PHE 142 CO 0.03 -0.42 0.21 0.08 0.70 0.00 0.00 175.22 175.83 1ija s VAL 143 N -3.90 0.06 0.35 -0.44 1.01 0.26 -1.98 120.40 115.76 1ija s VAL 143 Ca 0.29 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1ija s VAL 143 Cb 0.07 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 1ija s VAL 143 CO 0.06 -0.28 0.36 0.00 0.00 0.00 0.00 175.10 175.24 1ija s ALA 144 N -1.15 1.54 -0.08 5.51 0.00 -0.95 -2.14 121.76 124.48 1ija s ALA 144 Ca -0.12 -1.92 -0.20 0.00 0.00 0.00 0.00 51.96 49.72 1ija s ALA 144 Cb -0.06 1.37 0.04 0.00 0.00 0.00 0.00 23.12 24.47 1ija s ALA 144 CO 0.02 -0.72 0.47 -0.08 0.00 0.00 0.00 175.76 175.45 1ija s THR 145 N -3.20 0.02 0.36 0.00 -1.32 -1.17 -2.40 115.64 107.93 1ija s THR 145 Ca 0.37 -0.19 -0.28 0.00 -1.21 0.00 0.00 61.69 60.38 1ija s THR 145 Cb 0.01 -0.74 -0.11 0.00 -1.51 0.00 0.00 72.50 70.15 1ija s THR 145 CO 0.26 -0.11 1.49 -0.62 -2.21 0.00 0.00 174.62 173.44 1ija n GLU 146 N 1.70 2.65 -2.84 7.08 -0.58 -0.56 -2.19 120.64 125.89 1ija n GLU 146 Ca -0.18 0.93 -0.27 0.00 -0.42 0.00 0.00 57.16 57.22 1ija n GLU 146 Cb 0.56 -2.66 -0.01 0.00 -0.57 0.00 0.00 31.44 28.77 1ija n GLU 146 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1ija s VAL 147 N -0.97 4.95 0.00 2.62 -7.23 -1.26 -4.91 120.40 113.60 1ija s VAL 147 Ca 0.55 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 1ija s VAL 147 Cb -0.48 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.61 1ija s VAL 147 CO 0.62 -0.74 0.00 0.29 -0.31 0.00 0.00 175.10 174.96