#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 0.79 0.00 0.03 1.03 -1.26 -5.00 119.66 115.25 1ija s GLN 2 Ca 0.00 -0.19 0.00 0.00 0.04 0.00 0.00 55.36 55.21 1ija s GLN 2 Cb 0.00 0.10 0.00 0.00 0.03 0.00 0.00 33.01 33.14 1ija s GLN 2 CO 0.00 -1.18 1.09 0.00 -2.54 0.00 0.00 175.29 172.67 1ija n ALA 3 N 4.52 2.70 -2.63 2.60 0.00 -1.26 -3.78 120.51 122.66 1ija n ALA 3 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 1ija n ALA 3 Cb 0.56 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 19.02 1ija n ALA 3 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ija n LYS 4 N 0.78 1.74 0.00 0.00 2.85 -1.26 -4.93 118.16 117.35 1ija n LYS 4 Ca 0.00 -3.55 0.00 0.00 -1.05 0.00 0.00 58.31 53.71 1ija n LYS 4 Cb 0.45 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 1ija n LYS 4 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1ija n PRO 5 N -0.25 0.99 -2.64 -1.58 -0.04 -1.25 -4.90 135.00 125.34 1ija n PRO 5 Ca 0.15 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.18 1ija n PRO 5 Cb 0.80 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.24 1ija n PRO 5 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1ija s GLN 6 N -0.01 4.24 -0.28 0.54 -2.07 -1.26 -4.98 119.66 115.83 1ija s GLN 6 Ca 0.00 1.36 0.01 0.00 -1.82 0.00 0.00 55.36 54.90 1ija s GLN 6 Cb 0.00 -3.66 0.15 0.00 -1.09 0.00 0.00 33.01 28.41 1ija s GLN 6 CO 0.00 -0.67 0.37 0.42 -1.32 0.00 0.00 175.29 174.09 1ija s ILE 7 N 3.28 -0.56 0.16 3.63 1.01 -1.26 -4.90 121.20 122.56 1ija s ILE 7 Ca 0.45 -0.31 -0.32 0.00 0.00 0.00 0.00 60.65 60.47 1ija s ILE 7 Cb -0.15 -0.96 -0.17 0.00 0.01 0.00 0.00 42.46 41.19 1ija s ILE 7 CO 0.08 -0.31 0.89 -2.65 0.00 0.00 0.00 174.94 172.95 1ija n PRO 8 N 5.34 0.53 0.02 2.79 -0.02 -1.26 -4.89 135.00 137.51 1ija n PRO 8 Ca -0.01 0.19 -0.06 0.00 -2.02 0.00 0.00 63.50 61.60 1ija n PRO 8 Cb 0.49 -1.48 -0.11 0.00 -0.02 0.00 0.00 33.50 32.37 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 2.23 0.00 -6.45 -0.52 2.10 -1.95 -3.43 116.57 108.56 1ija h LYS 9 Ca -0.39 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 57.70 1ija h LYS 9 Cb 1.40 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.67 1ija h LYS 9 CO 0.63 0.55 0.97 -0.51 -2.00 0.00 0.00 179.45 179.08 1ija s ASP 10 N -6.17 6.63 0.12 7.07 1.01 -1.26 -4.84 116.67 119.23 1ija s ASP 10 Ca -0.03 0.97 0.07 0.00 0.71 0.00 0.00 52.55 54.28 1ija s ASP 10 Cb 0.08 -2.54 0.40 0.00 1.01 0.00 0.00 42.92 41.87 1ija s ASP 10 CO 0.82 -1.16 1.19 0.29 0.21 0.00 0.00 175.17 176.52 1ija n LYS 11 N 7.51 0.05 0.00 8.23 5.02 -1.26 -1.50 118.16 136.20 1ija n LYS 11 Ca 0.14 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1ija n LYS 11 Cb 0.47 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.74 1.20 -3.76 4.39 2.88 -1.26 -4.72 113.62 110.62 1ija n SER 12 Ca -0.00 -1.99 -0.12 0.00 -1.33 0.00 0.00 58.87 55.42 1ija n SER 12 Cb 0.06 -0.50 -0.12 0.00 -0.75 0.00 0.00 64.21 62.91 1ija n SER 12 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ija s LYS 13 N -0.90 0.29 0.97 -1.46 1.02 -0.57 -5.15 119.74 113.95 1ija s LYS 13 Ca 0.00 0.45 -0.11 0.00 0.02 0.00 0.00 55.97 56.34 1ija s LYS 13 Cb 0.00 0.06 0.18 0.00 -0.52 0.00 0.00 37.83 37.54 1ija s LYS 13 CO 0.00 -0.09 1.12 0.08 -0.92 0.00 0.00 175.35 175.55 1ija s VAL 14 N 0.58 2.04 0.00 3.17 1.01 -1.26 -4.51 120.40 121.43 1ija s VAL 14 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1ija s VAL 14 Cb -0.05 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1ija s VAL 14 CO -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.05 1ija n ALA 15 N -4.39 0.39 -3.87 5.51 0.00 -1.18 -4.76 120.51 112.20 1ija n ALA 15 Ca 0.10 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1ija n ALA 15 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 0.19 0.48 3.14 0.00 0.00 -1.25 -4.72 105.19 103.02 1ija n GLY 16 Ca 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.27 -0.62 -0.06 1.61 2.02 0.24 -2.82 117.35 115.46 1ija s TYR 17 Ca 0.24 1.26 -0.10 0.00 -0.37 0.00 0.00 57.07 58.10 1ija s TYR 17 Cb -0.02 0.14 -0.05 0.00 -0.40 0.00 0.00 41.96 41.63 1ija s TYR 17 CO 0.03 -0.42 0.26 -1.50 -1.57 0.00 0.00 175.55 172.35 1ija s ILE 18 N 2.51 5.29 -0.09 2.71 2.07 -0.67 -0.01 121.20 133.02 1ija s ILE 18 Ca -0.00 0.47 -0.07 0.00 -1.41 0.00 0.00 60.65 59.63 1ija s ILE 18 Cb -0.12 -3.54 0.02 0.00 0.13 0.00 0.00 42.46 38.95 1ija s ILE 18 CO -0.11 0.58 0.23 -1.61 -1.91 0.00 0.00 174.94 172.12 1ija s GLU 19 N -1.10 0.25 -0.11 3.50 2.02 -0.96 -2.36 118.70 119.94 1ija s GLU 19 Ca 0.20 0.33 -0.05 0.00 0.02 0.00 0.00 54.97 55.47 1ija s GLU 19 Cb -0.14 0.10 0.05 0.00 0.10 0.00 0.00 34.13 34.24 1ija s GLU 19 CO 0.09 -0.05 0.24 0.42 0.02 0.00 0.00 175.26 175.98 1ija s ILE 20 N 0.24 -0.14 -0.00 -1.63 1.01 -0.85 -1.83 121.20 118.00 1ija s ILE 20 Ca -0.01 0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 1ija s ILE 20 Cb -0.03 -0.39 -0.25 0.00 0.01 0.00 0.00 42.46 41.81 1ija s ILE 20 CO -0.01 0.08 1.06 1.55 0.00 0.00 0.00 174.94 177.63 1ija h PRO 21 N 7.52 0.39 0.00 2.79 0.13 -1.85 0.82 132.00 141.80 1ija h PRO 21 Ca -0.33 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 1ija h PRO 21 Cb 1.14 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ija h PRO 21 CO 0.31 1.13 0.39 -0.44 -0.23 0.00 0.00 178.00 179.16 1ija h ASP 22 N -0.14 0.00 0.00 1.44 5.19 -1.96 0.72 116.42 121.66 1ija h ASP 22 Ca -0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1ija h ASP 22 Cb 1.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.89 1ija h ASP 22 CO 0.13 0.00 -0.27 0.00 -3.12 0.00 0.00 179.24 175.98 1ija n ALA 23 N -1.70 1.88 -4.23 3.45 0.00 -1.20 -4.18 120.51 114.53 1ija n ALA 23 Ca -0.01 -1.26 -0.31 0.00 0.00 0.00 0.00 53.44 51.86 1ija n ALA 23 Cb 0.42 -0.35 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 1ija n ALA 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ija n ASP 24 N -0.34 0.07 -4.82 0.00 5.68 0.24 -4.67 116.55 112.71 1ija n ASP 24 Ca 0.03 -1.18 -0.38 0.00 -0.50 0.00 0.00 54.79 52.76 1ija n ASP 24 Cb 0.62 -2.07 -0.06 0.00 -1.14 0.00 0.00 41.12 38.47 1ija n ASP 24 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1ija s ILE 25 N -4.09 4.73 -0.41 2.12 -1.09 0.27 -4.87 121.20 117.85 1ija s ILE 25 Ca 0.13 1.17 -0.00 0.00 -2.23 0.00 0.00 60.65 59.71 1ija s ILE 25 Cb -0.07 -3.87 0.20 0.00 -1.58 0.00 0.00 42.46 37.13 1ija s ILE 25 CO 0.97 0.46 0.90 -1.59 -1.23 0.00 0.00 174.94 174.45 1ija s LYS 26 N -1.36 0.59 0.05 2.79 -2.85 -1.25 -2.02 119.74 115.69 1ija s LYS 26 Ca 0.32 -0.50 -0.05 0.00 -1.00 0.00 0.00 55.97 54.75 1ija s LYS 26 Cb -0.18 -0.01 -0.02 0.00 -2.06 0.00 0.00 37.83 35.56 1ija s LYS 26 CO 0.20 -0.76 0.07 -1.21 0.10 0.00 0.00 175.35 173.75 1ija s GLU 27 N 1.19 0.62 0.66 1.78 0.41 -1.00 -4.96 118.70 117.41 1ija s GLU 27 Ca 0.24 -0.90 -0.08 0.00 -0.41 0.00 0.00 54.97 53.81 1ija s GLU 27 Cb 0.05 0.24 0.02 0.00 -1.78 0.00 0.00 34.13 32.66 1ija s GLU 27 CO -0.09 -0.15 1.00 -1.25 -0.49 0.00 0.00 175.26 174.28 1ija s PRO 28 N -3.10 2.74 -0.24 0.39 0.04 -1.26 -1.67 135.00 131.90 1ija s PRO 28 Ca -0.01 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.17 1ija s PRO 28 Cb 0.02 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.47 1ija s PRO 28 CO -0.07 -0.95 -0.03 0.14 0.04 0.00 0.00 177.00 176.13 1ija s VAL 29 N -3.20 1.37 0.33 -0.36 -7.23 -1.13 -3.26 120.40 106.94 1ija s VAL 29 Ca 0.57 -1.17 -0.29 0.00 -1.81 0.00 0.00 61.98 59.28 1ija s VAL 29 Cb -0.11 -1.70 -0.10 0.00 0.56 0.00 0.00 36.38 35.02 1ija s VAL 29 CO 0.48 -0.16 1.35 -0.31 -0.31 0.00 0.00 175.10 176.14 1ija s TYR 30 N 1.46 2.98 -0.48 2.82 2.02 0.85 -3.11 117.35 123.88 1ija s TYR 30 Ca -0.04 1.34 -0.29 0.00 -0.37 0.00 0.00 57.07 57.72 1ija s TYR 30 Cb -0.19 -3.74 0.02 0.00 -0.40 0.00 0.00 41.96 37.66 1ija s TYR 30 CO -0.07 -2.10 1.23 -1.25 -1.57 0.00 0.00 175.55 171.79 1ija s PRO 31 N -1.70 3.63 0.00 -1.71 0.04 -1.26 -2.77 135.00 131.23 1ija s PRO 31 Ca 0.50 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1ija s PRO 31 Cb -0.41 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1ija s PRO 31 CO 0.53 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.48 1ija n GLY 32 N 4.97 -1.93 3.62 0.56 0.00 -1.26 -4.68 105.19 106.47 1ija n GLY 32 Ca 0.13 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.80 3.86 -0.83 1.61 0.04 -1.26 -3.81 135.00 132.81 1ija s PRO 33 Ca 0.00 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.02 1ija s PRO 33 Cb 0.00 -3.88 -0.25 0.00 0.04 0.00 0.00 34.50 30.40 1ija s PRO 33 CO 0.00 -1.19 2.05 0.00 0.04 0.00 0.00 177.00 177.91 1ija n ALA 34 N 7.72 0.87 -2.08 8.56 0.00 -0.37 -4.86 120.51 130.34 1ija n ALA 34 Ca 0.14 -1.01 -0.17 0.00 0.00 0.00 0.00 53.44 52.40 1ija n ALA 34 Cb 0.47 -2.36 0.01 0.00 0.00 0.00 0.00 19.45 17.57 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 3.52 3.13 -0.02 0.00 -4.23 -1.26 -4.98 115.64 111.81 1ija s THR 35 Ca 1.06 -1.01 0.11 0.00 -1.18 0.00 0.00 61.69 60.67 1ija s THR 35 Cb -0.57 -3.05 -0.08 0.00 1.34 0.00 0.00 72.50 70.13 1ija s THR 35 CO 0.39 -0.02 1.33 1.55 -0.54 0.00 0.00 174.62 177.32 1ija h PRO 36 N 0.69 0.00 -0.20 3.99 0.13 -1.98 -1.95 132.00 132.69 1ija h PRO 36 Ca -0.41 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.63 1ija h PRO 36 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1ija h PRO 36 CO 0.46 0.73 -0.29 1.05 -0.23 0.00 0.00 178.00 179.73 1ija h GLU 37 N 0.00 0.38 0.00 0.86 4.11 -1.97 -2.65 114.58 115.30 1ija h GLU 37 Ca -0.02 -0.15 -0.19 0.00 0.07 0.00 0.00 59.36 59.07 1ija h GLU 37 Cb 1.59 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.79 1ija h GLU 37 CO 0.10 0.64 -1.13 -0.56 0.07 0.00 0.00 179.01 178.12 1ija h GLN 38 N 0.33 0.00 -1.30 1.06 3.07 -1.95 -3.35 115.11 112.97 1ija h GLN 38 Ca 0.05 0.00 0.38 0.00 0.09 0.00 0.00 58.65 59.16 1ija h GLN 38 Cb 0.68 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.19 1ija h GLN 38 CO 0.05 0.83 0.93 -0.07 0.09 0.00 0.00 178.83 180.66 1ija h LEU 39 N -1.00 0.03 -1.70 0.06 3.38 -1.42 2.25 115.31 116.90 1ija h LEU 39 Ca -0.29 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1ija h LEU 39 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1ija h LEU 39 CO -0.18 0.00 -0.18 0.78 0.09 0.00 0.00 178.44 178.95 1ija h ASN 40 N 0.02 0.00 1.52 -0.43 2.35 -1.61 -0.70 115.58 116.73 1ija h ASN 40 Ca 0.63 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.38 1ija h ASN 40 Cb 2.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.83 1ija h ASN 40 CO -0.03 0.18 -0.44 0.03 -1.65 0.00 0.00 177.43 175.52 1ija h ARG 41 N 0.00 0.00 0.00 0.81 3.08 0.36 -3.49 114.38 115.13 1ija h ARG 41 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ija h ARG 41 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1ija h ARG 41 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1ija n GLY 42 N 1.15 -0.74 3.82 0.04 0.00 -0.27 -5.09 105.19 104.10 1ija n GLY 42 Ca 0.02 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1ija n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ija s VAL 43 N -4.00 3.49 0.04 1.61 1.01 -1.20 -4.24 120.40 117.11 1ija s VAL 43 Ca 0.00 -1.44 -0.27 0.00 0.00 0.00 0.00 61.98 60.27 1ija s VAL 43 Cb 0.00 -3.15 0.09 0.00 0.00 0.00 0.00 36.38 33.31 1ija s VAL 43 CO 0.00 -0.19 0.75 -0.55 0.00 0.00 0.00 175.10 175.11 1ija s SER 44 N -3.95 -0.50 0.97 3.32 0.15 -1.18 -0.11 113.70 112.41 1ija s SER 44 Ca 0.40 0.15 -0.11 0.00 0.70 0.00 0.00 55.95 57.09 1ija s SER 44 Cb -0.05 0.49 0.17 0.00 -1.71 0.00 0.00 66.02 64.92 1ija s SER 44 CO 0.26 -0.74 1.09 0.49 1.20 0.00 0.00 173.24 175.54 1ija n PHE 45 N -0.03 0.34 1.43 3.44 3.72 -1.12 -2.07 117.46 123.18 1ija n PHE 45 Ca -0.14 0.28 0.09 0.00 -0.05 0.00 0.00 57.45 57.63 1ija n PHE 45 Cb 0.62 -1.93 0.37 0.00 -0.94 0.00 0.00 39.48 37.60 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 -4.39 2.53 -3.61 4.37 0.00 0.63 -1.24 120.51 118.79 1ija n ALA 46 Ca 0.10 -0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.01 1ija n ALA 46 Cb 0.52 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 1ija n ALA 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ija s GLU 47 N -1.83 0.78 0.57 0.00 -1.05 -1.25 -4.32 118.70 111.60 1ija s GLU 47 Ca 0.28 0.75 0.32 0.00 -0.15 0.00 0.00 54.97 56.17 1ija s GLU 47 Cb 0.15 0.38 1.74 0.00 -0.44 0.00 0.00 34.13 35.95 1ija s GLU 47 CO 0.22 -0.13 2.18 1.05 0.95 0.00 0.00 175.26 179.53 1ija h GLU 48 N 4.38 0.00 -0.13 -4.83 4.11 -1.89 -2.09 114.58 114.13 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 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ija h GLU 48 CO 0.13 0.05 0.00 0.09 0.07 0.00 0.00 179.01 179.35 1ija n ASN 49 N -3.55 1.24 -4.71 3.06 4.13 -1.26 -4.75 115.26 109.42 1ija n ASN 49 Ca -0.02 -1.67 -0.33 0.00 1.68 0.00 0.00 54.58 54.25 1ija n ASN 49 Cb 0.17 -0.09 0.12 0.00 -1.54 0.00 0.00 39.78 38.44 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1ija s GLU 50 N -1.83 1.73 0.35 3.52 -6.30 -0.79 -5.01 118.70 110.37 1ija s GLU 50 Ca 0.30 1.60 0.03 0.00 -2.50 0.00 0.00 54.97 54.40 1ija s GLU 50 Cb 0.15 -1.80 -0.01 0.00 0.00 0.00 0.00 34.13 32.47 1ija s GLU 50 CO 0.24 -2.12 0.38 0.45 0.02 0.00 0.00 175.26 174.24 1ija s SER 51 N -2.46 1.38 0.00 -1.70 0.15 -1.26 -5.00 113.70 104.81 1ija s SER 51 Ca 0.70 -1.65 0.19 0.00 0.70 0.00 0.00 55.95 55.89 1ija s SER 51 Cb -0.25 0.62 0.97 0.00 -1.71 0.00 0.00 66.02 65.65 1ija s SER 51 CO 0.51 -1.20 1.65 0.18 1.20 0.00 0.00 173.24 175.58 1ija n LEU 52 N -0.61 0.64 -0.30 3.45 7.99 -1.26 -3.71 117.00 123.20 1ija n LEU 52 Ca 0.04 -0.27 0.00 0.00 -0.01 0.00 0.00 56.01 55.78 1ija n LEU 52 Cb 0.62 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 1ija n LEU 52 CO 0.31 0.13 0.22 0.47 -1.51 0.00 0.00 177.39 177.01 1ija n ASP 53 N -0.36 0.00 -4.62 -1.43 9.92 -1.26 -5.06 116.55 113.73 1ija n ASP 53 Ca 0.15 -1.42 -0.44 0.00 -0.53 0.00 0.00 54.79 52.54 1ija n ASP 53 Cb 0.17 -0.08 -0.04 0.00 -0.64 0.00 0.00 41.12 40.52 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 0.00 3.51 0.31 -2.24 -0.08 -1.24 -4.73 116.55 112.08 1ija n ASP 54 Ca 0.00 0.60 0.04 0.00 -1.51 0.00 0.00 54.79 53.91 1ija n ASP 54 Cb 0.58 -1.49 0.20 0.00 2.34 0.00 0.00 41.12 42.76 1ija n ASP 54 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 1ija h GLN 55 N 12.28 0.00 -3.12 -0.67 3.07 -1.96 -3.09 115.11 121.63 1ija h GLN 55 Ca -0.44 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 57.73 1ija h GLN 55 Cb 1.25 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.41 1ija h GLN 55 CO 0.96 0.00 -0.77 1.21 0.09 0.00 0.00 178.83 180.31 1ija s ASN 56 N -3.29 3.69 0.18 0.06 3.84 -1.26 -2.79 114.94 115.35 1ija s ASN 56 Ca -0.01 -1.74 -0.05 0.00 0.21 0.00 0.00 52.86 51.27 1ija s ASN 56 Cb 0.02 -0.67 -0.06 0.00 -0.55 0.00 0.00 41.25 40.00 1ija s ASN 56 CO 0.07 -0.39 0.42 -0.63 -2.79 0.00 0.00 177.10 173.77 1ija s ILE 57 N 1.52 5.13 -0.12 -5.21 1.01 -1.16 -4.99 121.20 117.38 1ija s ILE 57 Ca 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 1ija s ILE 57 Cb -0.19 -3.65 0.06 0.00 0.01 0.00 0.00 42.46 38.69 1ija s ILE 57 CO -0.22 -0.04 0.17 -0.44 0.00 0.00 0.00 174.94 174.41 1ija s SER 58 N -2.61 1.02 0.30 3.58 0.01 -1.26 -1.04 113.70 113.70 1ija s SER 58 Ca 0.42 0.13 0.09 0.00 1.31 0.00 0.00 55.95 57.90 1ija s SER 58 Cb -0.12 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.34 1ija s SER 58 CO 0.25 -0.27 0.06 -0.63 0.41 0.00 0.00 173.24 173.06 1ija s ILE 59 N 2.29 3.22 -0.04 1.44 1.01 -1.13 0.23 121.20 128.22 1ija s ILE 59 Ca 0.04 -1.82 0.02 0.00 0.00 0.00 0.00 60.65 58.89 1ija s ILE 59 Cb -0.13 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.44 1ija s ILE 59 CO -0.08 -0.28 -0.07 0.00 0.00 0.00 0.00 174.94 174.51 1ija s ALA 60 N -2.38 0.83 0.00 9.38 0.00 -0.88 0.15 121.76 128.86 1ija s ALA 60 Ca 0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 1ija s ALA 60 Cb -0.04 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1ija s ALA 60 CO 0.21 0.06 0.05 0.20 0.00 0.00 0.00 175.76 176.29 1ija s GLY 61 N 0.63 0.11 0.00 0.00 0.00 -0.67 -3.12 107.32 104.28 1ija s GLY 61 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1ija s GLY 61 CO 0.01 -0.36 0.00 1.42 0.00 0.00 0.00 173.10 174.17 1ija n HIS 62 N 1.78 -3.59 -2.94 1.90 8.25 -1.26 -1.00 115.22 118.36 1ija n HIS 62 Ca -0.22 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.21 1ija n HIS 62 Cb 0.56 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.99 -0.93 -0.48 1.59 -1.32 -1.26 0.11 115.64 112.36 1ija s THR 63 Ca 0.00 -0.75 -0.23 0.00 -1.21 0.00 0.00 61.69 59.50 1ija s THR 63 Cb 0.00 -0.07 0.03 0.00 -1.51 0.00 0.00 72.50 70.95 1ija s THR 63 CO 0.00 -0.07 0.81 -0.36 -2.21 0.00 0.00 174.62 172.79 1ija s PHE 64 N 1.16 2.95 0.54 9.09 0.40 -1.26 -4.86 117.98 126.00 1ija s PHE 64 Ca 0.25 0.04 0.21 0.00 -0.60 0.00 0.00 56.93 56.83 1ija s PHE 64 Cb -0.02 -3.75 1.45 0.00 0.51 0.00 0.00 43.02 41.22 1ija s PHE 64 CO -0.06 -1.08 2.18 0.82 0.70 0.00 0.00 175.22 177.78 1ija h ILE 65 N 5.98 0.84 -0.22 0.64 1.08 -1.96 0.35 117.51 124.21 1ija h ILE 65 Ca -0.25 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1ija h ILE 65 Cb 1.08 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.84 1ija h ILE 65 CO 0.99 0.00 0.00 -0.67 -0.69 0.00 0.00 178.15 177.78 1ija n ASP 66 N -4.30 2.23 -2.99 1.72 -0.08 -1.26 -4.25 116.55 107.61 1ija n ASP 66 Ca -0.03 -2.21 -0.15 0.00 -1.51 0.00 0.00 54.79 50.88 1ija n ASP 66 Cb 0.09 -0.43 -0.02 0.00 2.34 0.00 0.00 41.12 43.10 1ija n ASP 66 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1ija n ARG 67 N 0.23 0.63 0.00 -0.67 0.63 0.11 -5.00 116.66 112.60 1ija n ARG 67 Ca 0.09 -2.48 0.00 0.00 -0.92 0.00 0.00 57.85 54.55 1ija n ARG 67 Cb 0.46 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.96 1ija n ARG 67 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1ija n PRO 68 N 1.94 0.00 -3.00 -0.14 -0.02 -1.26 -2.64 135.00 129.89 1ija n PRO 68 Ca 0.17 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.50 1ija n PRO 68 Cb 0.56 -0.89 0.01 0.00 -0.02 0.00 0.00 33.50 33.16 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 -0.04 -0.68 -3.32 2.55 0.23 -1.26 -4.77 115.26 107.98 1ija n ASN 69 Ca 0.00 -3.21 -0.10 0.00 -0.53 0.00 0.00 54.58 50.73 1ija n ASN 69 Cb 0.00 0.45 -0.06 0.00 -2.08 0.00 0.00 39.78 38.09 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 -1.05 -0.91 0.00 -2.53 5.04 -1.08 -4.99 117.35 111.83 1ija s TYR 70 Ca 0.33 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 1ija s TYR 70 Cb 0.29 -0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.40 1ija s TYR 70 CO -0.09 -0.99 0.00 1.04 -1.34 0.00 0.00 175.55 174.17 1ija n GLN 71 N 5.22 0.00 -2.06 4.97 6.02 -1.26 -3.12 117.38 127.14 1ija n GLN 71 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.61 1ija n GLN 71 Cb 0.49 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.74 1ija n GLN 71 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ija n PHE 72 N 13.90 2.55 0.03 1.08 7.35 0.29 -4.47 117.46 138.20 1ija n PHE 72 Ca 0.00 -2.70 0.02 0.00 -0.76 0.00 0.00 57.45 54.00 1ija n PHE 72 Cb 0.00 -1.69 -0.08 0.00 0.35 0.00 0.00 39.48 38.07 1ija n PHE 72 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1ija n THR 73 N 1.33 1.05 -0.76 -2.13 -1.04 -1.18 -4.02 114.28 107.52 1ija n THR 73 Ca 0.59 -0.67 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1ija n THR 73 Cb 0.27 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 1ija n THR 73 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ija n ASN 74 N -2.81 0.15 0.01 8.00 3.02 -1.26 -4.76 115.26 117.60 1ija n ASN 74 Ca -0.09 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1ija n ASN 74 Cb 0.80 0.02 0.02 0.00 -0.61 0.00 0.00 39.78 40.00 1ija n ASN 74 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1ija n LEU 75 N -0.02 0.02 0.08 3.41 0.00 -1.26 0.13 117.00 119.36 1ija n LEU 75 Ca 0.00 0.36 -0.18 0.00 0.00 0.00 0.00 56.01 56.19 1ija n LEU 75 Cb 0.19 -0.36 -0.10 0.00 0.00 0.00 0.00 43.42 43.15 1ija n LEU 75 CO 0.00 -0.36 0.03 0.07 0.00 0.00 0.00 177.39 177.12 1ija h LYS 76 N 0.00 0.49 0.00 1.96 2.10 -1.88 -2.98 116.57 116.26 1ija h LYS 76 Ca 0.00 -0.63 -0.02 0.00 -2.00 0.00 0.00 60.65 58.00 1ija h LYS 76 Cb 0.32 0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1ija h LYS 76 CO 0.00 1.26 -0.09 0.00 -2.00 0.00 0.00 179.45 178.62 1ija h ALA 77 N 0.50 1.62 -2.92 0.07 0.00 0.71 -3.42 119.26 115.83 1ija h ALA 77 Ca -0.14 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 1ija h ALA 77 Cb 1.80 -0.01 0.12 0.00 0.00 0.00 0.00 17.79 19.70 1ija h ALA 77 CO 0.21 0.11 -0.10 0.00 0.00 0.00 0.00 179.25 179.46 1ija n ALA 78 N -2.41 -2.98 -3.68 0.00 0.00 -1.13 -4.93 120.51 105.38 1ija n ALA 78 Ca -0.03 -0.87 0.01 0.00 0.00 0.00 0.00 53.44 52.56 1ija n ALA 78 Cb 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -4.09 0.46 -0.65 0.00 -2.85 -1.26 -5.02 119.74 106.33 1ija s LYS 79 Ca 0.38 -0.26 -0.29 0.00 -1.00 0.00 0.00 55.97 54.79 1ija s LYS 79 Cb -0.07 0.15 -0.13 0.00 -2.06 0.00 0.00 37.83 35.72 1ija s LYS 79 CO 0.32 -0.21 2.48 1.63 0.10 0.00 0.00 175.35 179.67 1ija n LYS 80 N -0.55 0.67 0.00 1.78 5.02 -1.26 -0.74 118.16 123.08 1ija n LYS 80 Ca -0.07 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1ija n LYS 80 Cb 0.62 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 1ija n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ija n GLY 81 N 6.28 1.47 3.59 0.72 0.00 -0.20 -4.94 105.19 112.12 1ija n GLY 81 Ca 0.48 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 1ija n GLY 81 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ija s SER 82 N -0.03 5.42 1.29 1.61 0.15 0.08 -4.70 113.70 117.52 1ija s SER 82 Ca 0.00 1.53 -0.18 0.00 0.70 0.00 0.00 55.95 58.00 1ija s SER 82 Cb 0.00 -2.51 0.32 0.00 -1.71 0.00 0.00 66.02 62.12 1ija s SER 82 CO 0.00 -2.05 0.99 -0.04 1.20 0.00 0.00 173.24 173.34 1ija s MET 83 N 6.47 -1.91 -0.21 5.44 1.00 -1.26 -3.11 119.30 125.72 1ija s MET 83 Ca 0.93 0.36 -0.04 0.00 0.00 0.00 0.00 55.69 56.94 1ija s MET 83 Cb -0.27 -1.48 0.09 0.00 0.00 0.00 0.00 34.83 33.17 1ija s MET 83 CO 0.33 -4.26 0.17 0.08 0.00 0.00 0.00 175.02 171.34 1ija s VAL 84 N -2.46 -0.23 -0.54 -6.03 1.01 -1.10 -4.71 120.40 106.34 1ija s VAL 84 Ca 0.69 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 1ija s VAL 84 Cb -0.17 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.57 1ija s VAL 84 CO 0.60 -0.30 0.77 -0.31 0.00 0.00 0.00 175.10 175.86 1ija s TYR 85 N 2.24 2.93 -0.40 5.22 2.02 -0.76 -2.09 117.35 126.51 1ija s TYR 85 Ca 0.06 -0.37 -0.18 0.00 -0.37 0.00 0.00 57.07 56.20 1ija s TYR 85 Cb -0.16 -3.81 0.01 0.00 -0.40 0.00 0.00 41.96 37.61 1ija s TYR 85 CO -0.15 -1.21 0.51 0.12 -1.57 0.00 0.00 175.55 173.26 1ija s PHE 86 N 3.21 3.15 -0.03 2.71 5.36 -0.98 -2.26 117.98 129.14 1ija s PHE 86 Ca 0.21 -0.09 -0.02 0.00 -0.96 0.00 0.00 56.93 56.06 1ija s PHE 86 Cb -0.17 -3.01 -0.04 0.00 -0.34 0.00 0.00 43.02 39.47 1ija s PHE 86 CO 0.14 -0.68 0.13 0.21 -1.46 0.00 0.00 175.22 173.56 1ija s LYS 87 N 2.39 3.27 -0.29 10.12 2.20 0.99 -0.58 119.74 137.84 1ija s LYS 87 Ca 0.17 -0.36 -0.16 0.00 -0.36 0.00 0.00 55.97 55.26 1ija s LYS 87 Cb -0.16 -3.01 0.15 0.00 -1.51 0.00 0.00 37.83 33.31 1ija s LYS 87 CO 0.15 0.68 1.00 0.54 -0.36 0.00 0.00 175.35 177.36 1ija s VAL 88 N -1.21 -0.06 0.00 4.02 0.11 -1.09 0.80 120.40 122.97 1ija s VAL 88 Ca 0.23 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1ija s VAL 88 Cb -0.12 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1ija s VAL 88 CO 0.14 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 1ija n GLY 89 N 3.79 3.92 1.50 6.54 0.00 -1.26 -2.39 105.19 117.29 1ija n GLY 89 Ca -0.17 0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 1ija n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ija n ASN 90 N 8.85 2.91 -3.72 1.61 2.85 -1.26 -5.01 115.26 121.49 1ija n ASN 90 Ca 0.00 -3.45 -0.12 0.00 -0.11 0.00 0.00 54.58 50.91 1ija n ASN 90 Cb 0.00 -0.42 -0.11 0.00 1.24 0.00 0.00 39.78 40.48 1ija n ASN 90 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1ija s GLU 91 N -3.11 0.38 -0.07 1.20 2.56 -1.01 -5.15 118.70 113.50 1ija s GLU 91 Ca 0.42 0.65 0.05 0.00 0.00 0.00 0.00 54.97 56.08 1ija s GLU 91 Cb 0.38 0.04 -0.01 0.00 2.00 0.00 0.00 34.13 36.55 1ija s GLU 91 CO -0.03 -0.12 -0.23 -0.08 -0.56 0.00 0.00 175.26 174.24 1ija s THR 92 N 0.94 2.22 0.56 -1.70 -1.32 -1.26 -2.68 115.64 112.40 1ija s THR 92 Ca -0.06 -0.99 0.03 0.00 -1.21 0.00 0.00 61.69 59.46 1ija s THR 92 Cb -0.07 -1.83 0.05 0.00 -1.51 0.00 0.00 72.50 69.14 1ija s THR 92 CO -0.07 0.56 0.78 -0.13 -2.21 0.00 0.00 174.62 173.55 1ija s ARG 93 N -0.04 2.43 -0.32 7.08 1.81 0.25 -4.91 118.95 125.25 1ija s ARG 93 Ca -0.07 -1.00 0.01 0.00 -1.72 0.00 0.00 55.73 52.95 1ija s ARG 93 Cb -0.15 -2.53 0.14 0.00 -0.45 0.00 0.00 34.95 31.97 1ija s ARG 93 CO 0.05 -0.77 0.33 -1.59 -0.68 0.00 0.00 175.30 172.63 1ija s LYS 94 N -4.74 0.44 0.32 3.54 -2.85 -1.26 -2.32 119.74 112.87 1ija s LYS 94 Ca 0.59 -0.40 -0.03 0.00 -1.00 0.00 0.00 55.97 55.13 1ija s LYS 94 Cb -0.09 -0.68 0.07 0.00 -2.06 0.00 0.00 37.83 35.07 1ija s LYS 94 CO 0.38 -1.09 0.43 0.66 0.10 0.00 0.00 175.35 175.84 1ija n TYR 95 N 4.92 -3.52 -3.42 1.78 4.02 -0.89 -4.07 117.16 115.99 1ija n TYR 95 Ca 0.03 -0.59 -0.11 0.00 -0.01 0.00 0.00 57.90 57.23 1ija n TYR 95 Cb 0.46 -0.32 -0.09 0.00 -0.02 0.00 0.00 39.34 39.36 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 -3.69 0.31 -0.30 -0.72 2.20 -0.97 -2.72 119.74 113.85 1ija s LYS 96 Ca 0.27 0.55 -0.39 0.00 -0.36 0.00 0.00 55.97 56.04 1ija s LYS 96 Cb -0.01 -0.48 -0.15 0.00 -1.51 0.00 0.00 37.83 35.68 1ija s LYS 96 CO 0.18 -0.59 1.88 -1.33 -0.36 0.00 0.00 175.35 175.13 1ija n MET 97 N 5.36 1.14 -0.56 4.03 2.81 -1.18 -2.87 117.12 125.85 1ija n MET 97 Ca -0.04 0.40 -0.01 0.00 -1.81 0.00 0.00 57.70 56.24 1ija n MET 97 Cb 0.50 -2.19 -0.01 0.00 -0.71 0.00 0.00 33.22 30.82 1ija n MET 97 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ija n THR 98 N 5.33 0.00 -2.88 2.03 -2.24 -1.26 -1.03 114.28 114.23 1ija n THR 98 Ca 0.31 -0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 62.08 1ija n THR 98 Cb 0.15 0.09 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 1ija n THR 98 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ija s SER 99 N -0.18 -0.92 0.75 3.42 1.04 -0.89 -4.96 113.70 111.97 1ija s SER 99 Ca 0.00 -0.71 -0.12 0.00 0.48 0.00 0.00 55.95 55.61 1ija s SER 99 Cb 0.00 1.18 0.04 0.00 0.10 0.00 0.00 66.02 67.35 1ija s SER 99 CO -0.00 -0.07 1.12 -0.63 0.98 0.00 0.00 173.24 174.64 1ija s ILE 100 N 1.52 2.97 0.00 -1.02 1.09 -1.25 -1.08 121.20 123.43 1ija s ILE 100 Ca 0.20 0.31 0.00 0.00 -1.10 0.00 0.00 60.65 60.06 1ija s ILE 100 Cb 0.02 -3.27 0.00 0.00 -1.06 0.00 0.00 42.46 38.15 1ija s ILE 100 CO -0.10 -0.41 0.00 0.54 -0.10 0.00 0.00 174.94 174.87 1ija n ARG 101 N -3.17 0.00 0.00 2.79 5.12 -0.94 -4.69 116.66 115.78 1ija n ARG 101 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1ija n ARG 101 Cb 0.58 -0.19 0.00 0.00 -1.16 0.00 0.00 32.46 31.69 1ija n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1ija n ASP 102 N 0.00 0.00 0.00 0.55 2.03 0.48 -2.48 116.55 117.13 1ija n ASP 102 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ija n ASP 102 Cb 0.11 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1ija n ASP 102 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1ija n VAL 103 N -0.17 0.00 -3.78 5.18 0.31 -1.26 -3.35 118.33 115.26 1ija n VAL 103 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1ija n VAL 103 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 1ija n VAL 103 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ija s LYS 104 N 0.00 1.52 0.00 5.55 2.47 -1.26 -5.06 119.74 122.97 1ija s LYS 104 Ca 0.00 -2.24 0.00 0.00 -1.56 0.00 0.00 55.97 52.17 1ija s LYS 104 Cb 0.00 -2.64 0.00 0.00 -1.46 0.00 0.00 37.83 33.73 1ija s LYS 104 CO 0.00 -1.16 0.00 -0.35 0.16 0.00 0.00 175.35 174.00 1ija n PRO 105 N 3.34 0.00 -4.06 4.03 -0.04 -1.03 -4.88 135.00 132.35 1ija n PRO 105 Ca 0.09 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.23 1ija n PRO 105 Cb 0.34 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.77 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 0.00 -2.71 0.00 0.52 -2.24 -1.26 -4.94 114.28 103.64 1ija n THR 106 Ca 0.00 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1ija n THR 106 Cb 0.00 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 65.94 1ija n THR 106 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ija n ASP 107 N -2.77 0.00 -0.55 3.42 2.03 -1.26 -4.91 116.55 112.50 1ija n ASP 107 Ca -0.26 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.12 1ija n ASP 107 Cb 0.66 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 41.21 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 0.00 1.72 0.00 5.18 0.24 -1.26 -4.97 118.33 119.23 1ija n VAL 108 Ca 0.00 -2.50 0.00 0.00 -2.04 0.00 0.00 64.34 59.80 1ija n VAL 108 Cb 0.00 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 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 -0.95 2.25 0.24 7.63 0.00 -1.26 -4.94 105.19 108.15 1ija n GLY 109 Ca 0.15 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 1ija n GLY 109 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ija h VAL 110 N 0.00 1.24 -2.30 1.61 2.07 -1.99 -3.34 116.25 113.55 1ija h VAL 110 Ca 0.00 -1.10 -0.58 0.00 0.82 0.00 0.00 66.70 65.83 1ija h VAL 110 Cb 0.00 1.29 -0.39 0.00 -1.52 0.00 0.00 31.29 30.67 1ija h VAL 110 CO 0.00 0.35 -0.97 0.18 0.02 0.00 0.00 177.57 177.14 1ija n LEU 111 N -4.17 0.11 -4.51 2.57 4.77 -1.26 -5.07 117.00 109.44 1ija n LEU 111 Ca -0.00 -4.57 -0.26 0.00 -0.03 0.00 0.00 56.01 51.15 1ija n LEU 111 Cb 0.35 0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.80 1ija n LEU 111 CO 0.40 1.92 -0.17 -1.81 -1.33 0.00 0.00 177.39 176.40 1ija s ASP 112 N -0.51 2.82 0.00 -1.43 1.11 -1.25 -5.14 116.67 112.26 1ija s ASP 112 Ca 0.33 -1.74 0.00 0.00 0.18 0.00 0.00 52.55 51.33 1ija s ASP 112 Cb 0.08 0.60 0.00 0.00 1.07 0.00 0.00 42.92 44.67 1ija s ASP 112 CO -0.16 -1.00 0.00 -0.62 1.18 0.00 0.00 175.17 174.57 1ija n GLU 113 N -0.93 0.00 -2.81 8.23 4.71 -1.26 -4.57 120.64 124.00 1ija n GLU 113 Ca -0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.67 1ija n GLU 113 Cb 0.64 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 31.06 1ija n GLU 113 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 1ija s GLN 114 N 0.00 3.75 0.49 3.49 1.03 -1.26 -4.73 119.66 122.42 1ija s GLN 114 Ca 0.00 -1.83 0.05 0.00 0.04 0.00 0.00 55.36 53.62 1ija s GLN 114 Cb 0.00 -5.11 0.30 0.00 0.03 0.00 0.00 33.01 28.22 1ija s GLN 114 CO 0.00 -1.92 1.06 1.57 -2.54 0.00 0.00 175.29 173.46 1ija h LYS 115 N 8.53 0.00 0.00 9.60 2.10 -1.92 -3.37 116.57 131.51 1ija h LYS 115 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1ija h LYS 115 Cb 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 1ija h LYS 115 CO 1.25 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 179.11 1ija n GLY 116 N -1.34 0.00 0.00 0.07 0.00 -1.26 -4.89 105.19 97.77 1ija n GLY 116 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ija n GLY 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ija n LYS 117 N 0.00 0.00 -4.56 1.61 3.00 -1.26 -5.18 118.16 111.76 1ija n LYS 117 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 1ija n LYS 117 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 1ija n LYS 117 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1ija s ASP 118 N 1.19 4.01 0.04 3.14 2.15 -1.26 -4.97 116.67 120.96 1ija s ASP 118 Ca 0.00 -1.38 -0.27 0.00 0.43 0.00 0.00 52.55 51.34 1ija s ASP 118 Cb 0.00 -0.24 -0.14 0.00 -0.30 0.00 0.00 42.92 42.24 1ija s ASP 118 CO 0.00 -0.54 0.67 1.17 -0.17 0.00 0.00 175.17 176.29 1ija n LYS 119 N -1.07 0.00 -4.06 4.34 4.81 -1.26 -4.77 118.16 116.15 1ija n LYS 119 Ca -0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.25 1ija n LYS 119 Cb 0.67 -0.99 -0.05 0.00 0.02 0.00 0.00 35.03 34.68 1ija n LYS 119 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1ija s GLN 120 N -0.20 1.74 -0.29 1.64 -2.07 -1.12 -2.10 119.66 117.26 1ija s GLN 120 Ca 0.61 -1.58 0.00 0.00 -1.82 0.00 0.00 55.36 52.57 1ija s GLN 120 Cb -0.85 0.44 0.09 0.00 -1.09 0.00 0.00 33.01 31.60 1ija s GLN 120 CO 0.41 -0.72 0.05 -1.17 -1.32 0.00 0.00 175.29 172.55 1ija s LEU 121 N -3.16 2.66 -0.98 2.60 2.96 -1.17 -2.99 118.68 118.61 1ija s LEU 121 Ca 0.28 -1.56 -0.16 0.00 -0.22 0.00 0.00 54.13 52.47 1ija s LEU 121 Cb 0.00 -1.04 0.17 0.00 0.50 0.00 0.00 46.19 45.83 1ija s LEU 121 CO 0.16 -0.36 1.10 -0.89 -1.32 0.00 0.00 176.35 175.03 1ija s THR 122 N 1.47 5.12 0.55 3.68 2.01 -0.20 -2.27 115.64 125.99 1ija s THR 122 Ca 0.06 -2.17 -0.18 0.00 0.31 0.00 0.00 61.69 59.71 1ija s THR 122 Cb -0.18 -4.71 -0.06 0.00 0.01 0.00 0.00 72.50 67.56 1ija s THR 122 CO -0.17 -1.38 1.06 -0.22 -0.69 0.00 0.00 174.62 173.22 1ija s LEU 123 N 1.50 3.66 0.10 4.42 0.20 -0.85 -2.85 118.68 124.86 1ija s LEU 123 Ca 0.31 1.91 0.06 0.00 0.69 0.00 0.00 54.13 57.10 1ija s LEU 123 Cb -0.06 -4.55 -0.03 0.00 -0.43 0.00 0.00 46.19 41.12 1ija s LEU 123 CO -0.07 -1.04 -0.16 -0.63 -0.29 0.00 0.00 176.35 174.16 1ija s ILE 124 N -2.18 1.32 0.19 6.68 1.01 0.40 -3.18 121.20 125.44 1ija s ILE 124 Ca 0.66 -1.49 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 1ija s ILE 124 Cb -0.17 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 1ija s ILE 124 CO 0.29 -0.25 0.39 0.42 0.00 0.00 0.00 174.94 175.79 1ija s THR 125 N -1.54 5.19 -0.31 2.92 -4.23 -1.20 -1.67 115.64 114.82 1ija s THR 125 Ca 0.03 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1ija s THR 125 Cb -0.08 -3.70 0.14 0.00 1.34 0.00 0.00 72.50 70.19 1ija s THR 125 CO 0.03 -0.12 0.30 0.00 -0.54 0.00 0.00 174.62 174.29 1ija s ASP 127 N 2.13 -0.28 -0.42 0.00 1.47 -1.26 -4.03 116.67 114.28 1ija s ASP 127 Ca 0.11 0.54 -0.02 0.00 1.18 0.00 0.00 52.55 54.37 1ija s ASP 127 Cb -0.15 0.50 -0.02 0.00 -0.34 0.00 0.00 42.92 42.92 1ija s ASP 127 CO -0.27 -0.12 0.38 0.47 0.68 0.00 0.00 175.17 176.31 1ija n ASP 128 N 3.44 -4.35 -4.69 2.11 8.00 -1.26 -4.40 116.55 115.39 1ija n ASP 128 Ca -0.17 -0.20 -0.42 0.00 0.71 0.00 0.00 54.79 54.70 1ija n ASP 128 Cb 0.56 -2.79 -0.03 0.00 -0.02 0.00 0.00 41.12 38.84 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 -3.10 2.53 -0.14 1.24 6.14 -1.26 -2.53 117.35 120.22 1ija s TYR 129 Ca 0.12 0.39 -0.23 0.00 0.64 0.00 0.00 57.07 57.99 1ija s TYR 129 Cb -0.02 -3.94 -0.03 0.00 0.42 0.00 0.00 41.96 38.39 1ija s TYR 129 CO 0.34 -3.74 0.71 1.21 0.64 0.00 0.00 175.55 174.72 1ija s ASN 130 N 2.21 6.87 0.00 4.32 3.84 -0.46 -4.76 114.94 126.95 1ija s ASN 130 Ca 0.73 1.06 0.20 0.00 0.21 0.00 0.00 52.86 55.06 1ija s ASN 130 Cb -0.40 -2.40 0.77 0.00 -0.55 0.00 0.00 41.25 38.67 1ija s ASN 130 CO 0.32 -0.26 1.55 -1.84 -2.79 0.00 0.00 177.10 174.08 1ija n GLU 131 N 4.67 1.66 -0.01 0.43 0.28 -1.26 -2.65 120.64 123.76 1ija n GLU 131 Ca 0.00 -0.99 -0.01 0.00 -0.16 0.00 0.00 57.16 56.00 1ija n GLU 131 Cb 0.50 -1.38 -0.01 0.00 1.43 0.00 0.00 31.44 31.98 1ija n GLU 131 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1ija h LYS 132 N 1.99 -0.09 -0.02 3.44 1.57 -1.92 -3.36 116.57 118.19 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 0.44 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1ija h LYS 132 CO 0.00 -0.05 -0.24 0.25 -0.57 0.00 0.00 179.45 178.84 1ija n THR 133 N -4.84 0.00 -2.85 -0.16 -2.24 -1.26 -4.95 114.28 97.98 1ija n THR 133 Ca -0.01 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.41 1ija n THR 133 Cb 0.04 0.90 0.04 0.00 -2.10 0.00 0.00 70.33 69.21 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 1.34 0.14 3.33 3.38 0.00 -1.13 -5.04 105.19 107.22 1ija n GLY 134 Ca 0.13 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.16 0.06 -0.22 1.61 1.01 -1.08 -5.02 120.40 113.59 1ija s VAL 135 Ca 0.13 -1.47 -0.29 0.00 0.00 0.00 0.00 61.98 60.35 1ija s VAL 135 Cb -0.06 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1ija s VAL 135 CO 0.35 -0.27 1.67 0.26 0.00 0.00 0.00 175.10 177.11 1ija s TRP 136 N -3.99 2.01 0.00 5.22 0.52 -1.26 -1.36 118.94 120.09 1ija s TRP 136 Ca 0.19 0.51 0.00 0.00 0.02 0.00 0.00 56.10 56.83 1ija s TRP 136 Cb 0.04 -4.01 0.00 0.00 -1.15 0.00 0.00 33.47 28.35 1ija s TRP 136 CO 0.02 -3.07 0.12 -1.91 0.02 0.00 0.00 176.95 172.12 1ija n GLU 137 N 7.78 0.00 -4.02 4.98 4.07 -1.05 -4.52 120.64 127.87 1ija n GLU 137 Ca 0.20 0.12 -0.31 0.00 -0.06 0.00 0.00 57.16 57.10 1ija n GLU 137 Cb 0.45 -0.50 -0.06 0.00 -0.06 0.00 0.00 31.44 31.27 1ija n GLU 137 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1ija s LYS 138 N -0.30 3.07 -0.23 5.31 2.20 -1.26 -4.98 119.74 123.55 1ija s LYS 138 Ca 0.00 -0.57 -0.21 0.00 -0.36 0.00 0.00 55.97 54.83 1ija s LYS 138 Cb 0.00 -2.84 0.06 0.00 -1.51 0.00 0.00 37.83 33.54 1ija s LYS 138 CO 0.00 0.60 0.62 -0.98 -0.36 0.00 0.00 175.35 175.22 1ija s ARG 139 N -2.26 0.71 0.36 4.03 1.70 -1.26 -4.47 118.95 117.76 1ija s ARG 139 Ca 0.29 0.88 0.07 0.00 -0.47 0.00 0.00 55.73 56.50 1ija s ARG 139 Cb -0.12 0.32 -0.00 0.00 -0.57 0.00 0.00 34.95 34.58 1ija s ARG 139 CO 0.21 -0.09 0.50 0.15 -1.08 0.00 0.00 175.30 174.99 1ija s LYS 140 N 0.46 3.05 -0.02 3.89 1.02 -1.26 -4.93 119.74 121.95 1ija s LYS 140 Ca -0.01 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 54.94 1ija s LYS 140 Cb -0.04 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.49 1ija s LYS 140 CO -0.01 -0.03 -0.00 0.42 -0.92 0.00 0.00 175.35 174.81 1ija s ILE 141 N -2.23 0.14 0.01 2.17 1.01 -1.26 -3.21 121.20 117.82 1ija s ILE 141 Ca 0.47 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.16 1ija s ILE 141 Cb -0.10 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 1ija s ILE 141 CO 0.32 0.11 0.03 0.12 0.00 0.00 0.00 174.94 175.51 1ija s PHE 142 N 0.71 0.13 -0.03 3.97 5.36 -1.19 0.18 117.98 127.11 1ija s PHE 142 Ca -0.07 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 55.64 1ija s PHE 142 Cb -0.10 -0.10 0.02 0.00 -0.34 0.00 0.00 43.02 42.50 1ija s PHE 142 CO -0.01 -0.17 -0.03 0.08 -1.46 0.00 0.00 175.22 173.63 1ija s VAL 143 N -1.04 0.38 0.50 3.12 1.01 -0.24 -2.00 120.40 122.13 1ija s VAL 143 Ca -0.11 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1ija s VAL 143 Cb -0.07 -0.41 0.06 0.00 0.00 0.00 0.00 36.38 35.97 1ija s VAL 143 CO -0.00 0.17 0.53 0.00 0.00 0.00 0.00 175.10 175.79 1ija n ALA 144 N 3.80 0.91 -3.06 5.51 0.00 -0.96 -2.09 120.51 124.62 1ija n ALA 144 Ca -0.23 -1.90 -0.12 0.00 0.00 0.00 0.00 53.44 51.19 1ija n ALA 144 Cb 0.52 0.66 -0.12 0.00 0.00 0.00 0.00 19.45 20.51 1ija n ALA 144 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ija s THR 145 N -2.29 0.01 0.56 0.00 -1.32 -1.14 -3.02 115.64 108.43 1ija s THR 145 Ca 0.40 -0.07 -0.21 0.00 -1.21 0.00 0.00 61.69 60.60 1ija s THR 145 Cb -0.03 -0.27 -0.05 0.00 -1.51 0.00 0.00 72.50 70.64 1ija s THR 145 CO 0.25 -0.04 1.20 1.21 -2.21 0.00 0.00 174.62 175.04 1ija n GLU 146 N 2.83 1.37 -2.54 7.08 2.13 -0.89 -2.30 120.64 128.32 1ija n GLU 146 Ca -0.14 0.51 -0.22 0.00 0.66 0.00 0.00 57.16 57.97 1ija n GLU 146 Cb 0.58 -2.40 0.05 0.00 0.27 0.00 0.00 31.44 29.95 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 -1.36 2.52 -1.55 6.31 -7.23 -1.26 -4.87 120.40 112.97 1ija s VAL 147 Ca 0.73 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 1ija s VAL 147 Cb -0.43 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.56 1ija s VAL 147 CO 0.49 0.00 0.39 2.29 -0.31 0.00 0.00 175.10 177.95