#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 0.72 -0.25 0.03 -0.44 -1.26 -5.17 119.66 113.29 1ija s GLN 2 Ca 0.00 0.55 -0.27 0.00 -2.50 0.00 0.00 55.36 53.15 1ija s GLN 2 Cb 0.00 0.35 0.15 0.00 -1.64 0.00 0.00 33.01 31.86 1ija s GLN 2 CO 0.00 -0.15 1.15 0.00 0.50 0.00 0.00 175.29 176.79 1ija s ALA 3 N -0.27 -2.03 0.48 1.58 0.00 -1.26 -5.16 121.76 115.10 1ija s ALA 3 Ca -0.01 1.76 -0.14 0.00 0.00 0.00 0.00 51.96 53.56 1ija s ALA 3 Cb -0.03 -1.34 -0.07 0.00 0.00 0.00 0.00 23.12 21.68 1ija s ALA 3 CO 0.00 -0.22 0.91 0.15 0.00 0.00 0.00 175.76 176.60 1ija s LYS 4 N -0.30 3.87 0.91 0.00 1.02 -1.26 -5.02 119.74 118.96 1ija s LYS 4 Ca 0.03 0.77 -0.20 0.00 0.02 0.00 0.00 55.97 56.60 1ija s LYS 4 Cb -0.03 -2.22 -0.10 0.00 -0.52 0.00 0.00 37.83 34.96 1ija s LYS 4 CO -0.06 -0.21 -0.92 -2.30 -0.92 0.00 0.00 175.35 170.94 1ija n PRO 5 N -1.55 -0.35 -3.16 -1.68 -0.02 -1.26 -4.85 135.00 122.12 1ija n PRO 5 Ca 0.05 -0.10 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 1ija n PRO 5 Cb 0.54 -1.12 -0.07 0.00 -0.02 0.00 0.00 33.50 32.83 1ija n PRO 5 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ija s GLN 6 N -2.27 3.50 -0.28 -0.52 0.74 -1.26 -4.98 119.66 114.59 1ija s GLN 6 Ca 0.31 -0.19 -0.22 0.00 0.05 0.00 0.00 55.36 55.31 1ija s GLN 6 Cb 0.05 -3.86 -0.01 0.00 1.10 0.00 0.00 33.01 30.29 1ija s GLN 6 CO 0.50 -0.80 0.72 0.42 -0.55 0.00 0.00 175.29 175.58 1ija s ILE 7 N 2.62 4.88 0.39 -2.34 -1.09 -1.26 -5.05 121.20 119.35 1ija s ILE 7 Ca 0.21 1.18 -0.04 0.00 -2.23 0.00 0.00 60.65 59.78 1ija s ILE 7 Cb -0.15 -4.05 0.06 0.00 -1.58 0.00 0.00 42.46 36.74 1ija s ILE 7 CO 0.16 -0.12 0.14 -2.65 -1.23 0.00 0.00 174.94 171.24 1ija n PRO 8 N 5.97 0.06 0.00 2.79 -0.02 -1.26 -4.97 135.00 137.57 1ija n PRO 8 Ca 0.02 -0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1ija n PRO 8 Cb 0.48 -0.60 0.00 0.00 -0.02 0.00 0.00 33.50 33.37 1ija n PRO 8 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ija n LYS 9 N -0.51 2.66 -2.36 -0.52 4.81 -1.26 -4.94 118.16 116.04 1ija n LYS 9 Ca 0.02 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.06 1ija n LYS 9 Cb 0.10 -0.98 -0.03 0.00 0.02 0.00 0.00 35.03 34.14 1ija n LYS 9 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ija s ASP 10 N -2.60 5.91 0.00 3.14 2.15 -1.26 -4.81 116.67 119.20 1ija s ASP 10 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 52.55 52.98 1ija s ASP 10 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1ija s ASP 10 CO 0.00 -1.94 0.57 0.29 -0.17 0.00 0.00 175.17 173.92 1ija n LYS 11 N 9.09 0.00 -2.06 4.34 5.02 -1.26 -1.62 118.16 131.67 1ija n LYS 11 Ca 0.11 0.12 -0.28 0.00 -2.02 0.00 0.00 58.31 56.24 1ija n LYS 11 Cb 0.50 -1.52 0.02 0.00 -0.02 0.00 0.00 35.03 34.01 1ija n LYS 11 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ija n SER 12 N -1.07 5.46 -3.82 4.39 3.41 -1.26 -4.57 113.62 116.17 1ija n SER 12 Ca 0.00 -3.75 -0.13 0.00 -0.26 0.00 0.00 58.87 54.73 1ija n SER 12 Cb 0.02 -0.53 -0.14 0.00 -0.26 0.00 0.00 64.21 63.30 1ija n SER 12 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ija s LYS 13 N -3.65 0.08 -0.28 4.33 2.47 -0.64 -5.10 119.74 116.94 1ija s LYS 13 Ca 0.52 0.17 -0.28 0.00 -1.56 0.00 0.00 55.97 54.83 1ija s LYS 13 Cb 0.42 -0.03 -0.05 0.00 -1.46 0.00 0.00 37.83 36.71 1ija s LYS 13 CO -0.08 -0.06 2.20 0.08 0.16 0.00 0.00 175.35 177.65 1ija s VAL 14 N 0.39 3.07 -1.84 4.02 1.01 -1.26 -4.29 120.40 121.50 1ija s VAL 14 Ca -0.03 0.06 0.25 0.00 0.00 0.00 0.00 61.98 62.27 1ija s VAL 14 Cb -0.04 -3.10 0.17 0.00 0.00 0.00 0.00 36.38 33.40 1ija s VAL 14 CO -0.01 -0.07 1.39 0.00 0.00 0.00 0.00 175.10 176.41 1ija n ALA 15 N 12.27 3.27 -3.03 5.51 0.00 -1.18 -4.99 120.51 132.36 1ija n ALA 15 Ca 0.30 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1ija n ALA 15 Cb 0.47 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 1.37 0.43 3.19 0.00 0.00 -1.24 -4.30 105.19 104.64 1ija n GLY 16 Ca 0.11 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.19 -0.57 -0.06 1.61 2.02 -0.39 -3.05 117.35 114.71 1ija s TYR 17 Ca 0.01 1.20 -0.09 0.00 -0.37 0.00 0.00 57.07 57.82 1ija s TYR 17 Cb -0.00 0.19 -0.05 0.00 -0.40 0.00 0.00 41.96 41.70 1ija s TYR 17 CO -0.00 -0.36 0.25 -1.50 -1.57 0.00 0.00 175.55 172.37 1ija s ILE 18 N 1.79 5.32 -0.10 2.71 1.10 -0.63 -0.68 121.20 130.71 1ija s ILE 18 Ca -0.06 0.41 -0.06 0.00 -0.51 0.00 0.00 60.65 60.43 1ija s ILE 18 Cb -0.10 -3.53 0.04 0.00 0.15 0.00 0.00 42.46 39.02 1ija s ILE 18 CO -0.11 0.56 0.24 -1.61 -2.11 0.00 0.00 174.94 171.91 1ija s GLU 19 N -1.17 0.22 -0.10 3.50 2.02 -0.95 -2.24 118.70 119.98 1ija s GLU 19 Ca 0.20 0.48 -0.04 0.00 0.02 0.00 0.00 54.97 55.63 1ija s GLU 19 Cb -0.14 -0.06 0.05 0.00 0.10 0.00 0.00 34.13 34.09 1ija s GLU 19 CO 0.09 -0.13 0.20 0.42 0.02 0.00 0.00 175.26 175.86 1ija s ILE 20 N 0.98 -0.31 0.09 -1.63 1.01 0.11 -2.17 121.20 119.27 1ija s ILE 20 Ca -0.07 0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.80 1ija s ILE 20 Cb -0.08 -0.35 -0.24 0.00 0.01 0.00 0.00 42.46 41.80 1ija s ILE 20 CO -0.06 0.13 1.20 1.55 0.00 0.00 0.00 174.94 177.76 1ija h PRO 21 N 8.27 0.53 0.00 2.79 0.13 -1.89 0.28 132.00 142.11 1ija h PRO 21 Ca -0.15 -0.65 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1ija h PRO 21 Cb 1.12 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ija h PRO 21 CO 0.15 1.26 0.43 -0.44 -0.23 0.00 0.00 178.00 179.17 1ija h ASP 22 N 0.27 0.00 0.00 1.44 5.19 -1.96 0.80 116.42 122.16 1ija h ASP 22 Ca -0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 1ija h ASP 22 Cb 1.76 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.27 1ija h ASP 22 CO 0.20 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.32 1ija n ALA 23 N -1.82 1.34 -2.38 3.45 0.00 -1.18 -4.25 120.51 115.65 1ija n ALA 23 Ca -0.02 -0.50 -0.17 0.00 0.00 0.00 0.00 53.44 52.75 1ija n ALA 23 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.13 -4.99 -4.80 0.00 5.68 0.34 -4.73 116.55 107.93 1ija n ASP 24 Ca 0.00 0.09 -0.38 0.00 -0.50 0.00 0.00 54.79 54.00 1ija n ASP 24 Cb 0.26 -4.19 -0.06 0.00 -1.14 0.00 0.00 41.12 35.99 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 -2.83 4.49 -0.41 2.12 1.09 0.71 -4.90 121.20 121.47 1ija s ILE 25 Ca 0.00 1.47 0.02 0.00 -1.10 0.00 0.00 60.65 61.04 1ija s ILE 25 Cb 0.00 -3.99 0.19 0.00 -1.06 0.00 0.00 42.46 37.60 1ija s ILE 25 CO 0.00 0.38 0.81 -1.59 -0.10 0.00 0.00 174.94 174.44 1ija s LYS 26 N -1.52 0.66 0.07 2.79 -2.85 -1.25 -0.72 119.74 116.92 1ija s LYS 26 Ca 0.38 -0.40 -0.03 0.00 -1.00 0.00 0.00 55.97 54.92 1ija s LYS 26 Cb -0.20 0.03 -0.03 0.00 -2.06 0.00 0.00 37.83 35.58 1ija s LYS 26 CO 0.23 -0.89 0.05 -1.21 0.10 0.00 0.00 175.35 173.63 1ija s GLU 27 N 1.53 0.72 0.59 1.78 2.02 -0.95 -5.00 118.70 119.38 1ija s GLU 27 Ca 0.20 -1.17 -0.13 0.00 0.02 0.00 0.00 54.97 53.90 1ija s GLU 27 Cb 0.01 0.25 -0.05 0.00 0.10 0.00 0.00 34.13 34.44 1ija s GLU 27 CO -0.09 -0.18 1.02 -1.25 0.02 0.00 0.00 175.26 174.78 1ija s PRO 28 N -3.92 3.68 -0.21 0.39 0.04 -1.26 -1.61 135.00 132.12 1ija s PRO 28 Ca 0.08 0.83 -0.03 0.00 0.04 0.00 0.00 61.00 61.92 1ija s PRO 28 Cb 0.07 -2.09 0.07 0.00 0.04 0.00 0.00 34.50 32.58 1ija s PRO 28 CO -0.09 -0.50 0.06 0.08 0.04 0.00 0.00 177.00 176.59 1ija s VAL 29 N -2.99 0.36 0.64 -0.36 1.01 -1.17 -3.78 120.40 114.11 1ija s VAL 29 Ca 0.56 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 1ija s VAL 29 Cb -0.11 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.33 1ija s VAL 29 CO 0.47 -0.31 0.95 -0.31 0.00 0.00 0.00 175.10 175.90 1ija s TYR 30 N 1.92 3.11 -0.05 5.22 1.51 -0.88 -3.09 117.35 125.09 1ija s TYR 30 Ca 0.01 0.57 -0.24 0.00 -1.01 0.00 0.00 57.07 56.41 1ija s TYR 30 Cb -0.17 -2.94 -0.04 0.00 -0.11 0.00 0.00 41.96 38.71 1ija s TYR 30 CO -0.12 -1.08 0.72 -1.25 -1.11 0.00 0.00 175.55 172.71 1ija s PRO 31 N -5.11 4.45 0.00 -1.71 0.04 -1.26 -2.80 135.00 128.61 1ija s PRO 31 Ca 0.57 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1ija s PRO 31 Cb -0.11 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1ija s PRO 31 CO 0.45 0.10 0.00 0.41 0.04 0.00 0.00 177.00 178.00 1ija n GLY 32 N 2.98 1.44 3.67 0.56 0.00 -1.26 -4.35 105.19 108.22 1ija n GLY 32 Ca -0.01 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 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 4.27 -0.83 1.61 0.04 -1.26 -3.27 135.00 133.56 1ija s PRO 33 Ca 0.00 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 62.47 1ija s PRO 33 Cb 0.00 -3.67 -0.28 0.00 0.04 0.00 0.00 34.50 30.59 1ija s PRO 33 CO 0.00 -0.61 1.95 0.00 0.04 0.00 0.00 177.00 178.38 1ija n ALA 34 N 6.20 1.03 -2.51 8.56 0.00 -1.11 -4.83 120.51 127.85 1ija n ALA 34 Ca 0.12 -0.84 -0.21 0.00 0.00 0.00 0.00 53.44 52.51 1ija n ALA 34 Cb 0.46 -2.08 -0.12 0.00 0.00 0.00 0.00 19.45 17.71 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 0.00 1.62 0.14 0.00 -4.23 -1.26 -5.02 115.64 106.89 1ija s THR 35 Ca 1.10 -1.69 -0.13 0.00 -1.18 0.00 0.00 61.69 59.79 1ija s THR 35 Cb -0.71 -1.61 0.02 0.00 1.34 0.00 0.00 72.50 71.54 1ija s THR 35 CO 0.48 -0.24 1.63 1.55 -0.54 0.00 0.00 174.62 177.50 1ija h PRO 36 N 3.68 0.79 0.00 3.99 0.13 -1.97 0.04 132.00 138.67 1ija h PRO 36 Ca -0.43 -0.21 -0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1ija h PRO 36 Cb 1.19 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ija h PRO 36 CO 0.46 0.80 -0.01 1.05 -0.23 0.00 0.00 178.00 180.06 1ija h GLU 37 N 0.66 0.00 0.00 0.86 -0.00 -1.97 -1.57 114.58 112.56 1ija h GLU 37 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.51 1ija h GLU 37 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.13 1ija h GLU 37 CO 0.01 0.01 -0.01 0.94 -0.00 0.00 0.00 179.01 179.96 1ija n GLN 38 N -3.35 0.01 0.23 1.06 0.00 -0.95 -4.25 117.38 110.13 1ija n GLN 38 Ca -0.03 0.12 0.04 0.00 -0.00 0.00 0.00 57.00 57.14 1ija n GLN 38 Cb 0.11 -0.63 0.23 0.00 0.00 0.00 0.00 30.24 29.95 1ija n GLN 38 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1ija h LEU 39 N -0.02 0.00 -2.24 1.69 3.38 -1.07 1.21 115.31 118.26 1ija h LEU 39 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ija h LEU 39 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ija h LEU 39 CO 0.00 0.00 -0.05 0.78 0.09 0.00 0.00 178.44 179.26 1ija h ASN 40 N 0.00 0.00 1.44 -0.43 4.21 -1.46 0.47 115.58 119.82 1ija h ASN 40 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ija h ASN 40 Cb 1.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1ija h ASN 40 CO 0.00 0.05 -0.12 0.03 -1.29 0.00 0.00 177.43 176.10 1ija h ARG 41 N 0.00 0.00 0.00 0.81 -0.00 0.13 -3.49 114.38 111.83 1ija h ARG 41 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1ija h ARG 41 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.12 1ija h ARG 41 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.97 180.39 1ija n GLY 42 N 1.28 -0.51 3.31 0.04 0.00 0.17 -5.09 105.19 104.39 1ija n GLY 42 Ca 0.05 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 1.74 0.03 1.61 1.01 -1.25 -4.35 120.40 119.19 1ija s VAL 43 Ca 0.00 -1.80 -0.19 0.00 0.00 0.00 0.00 61.98 59.99 1ija s VAL 43 Cb 0.00 -1.74 0.04 0.00 0.00 0.00 0.00 36.38 34.68 1ija s VAL 43 CO 0.00 -0.26 0.44 -0.44 0.00 0.00 0.00 175.10 174.84 1ija s SER 44 N -2.45 -0.33 1.07 3.32 0.01 -1.17 -2.08 113.70 112.07 1ija s SER 44 Ca 0.13 0.10 -0.14 0.00 1.31 0.00 0.00 55.95 57.35 1ija s SER 44 Cb -0.07 0.43 0.17 0.00 0.21 0.00 0.00 66.02 66.77 1ija s SER 44 CO 0.06 -0.64 0.70 0.49 0.41 0.00 0.00 173.24 174.26 1ija n PHE 45 N 0.62 -0.87 1.42 2.43 3.72 -1.12 -2.29 117.46 121.37 1ija n PHE 45 Ca -0.19 0.10 0.14 0.00 -0.05 0.00 0.00 57.45 57.46 1ija n PHE 45 Cb 0.59 -1.75 0.74 0.00 -0.94 0.00 0.00 39.48 38.13 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 -4.46 2.45 -3.28 4.37 0.00 0.40 -2.73 120.51 117.26 1ija n ALA 46 Ca 0.05 -0.14 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1ija n ALA 46 Cb 0.55 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.51 0.63 0.28 0.00 2.02 -1.24 -3.50 118.70 114.37 1ija s GLU 47 Ca 0.29 0.11 -0.03 0.00 0.02 0.00 0.00 54.97 55.36 1ija s GLU 47 Cb 0.19 0.29 0.37 0.00 0.10 0.00 0.00 34.13 35.08 1ija s GLU 47 CO 0.43 -0.15 1.90 1.05 0.02 0.00 0.00 175.26 178.51 1ija h GLU 48 N 4.38 1.07 -0.60 1.61 4.11 -1.85 -2.30 114.58 121.00 1ija h GLU 48 Ca -0.28 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1ija h GLU 48 Cb 1.18 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1ija h GLU 48 CO 0.35 0.79 0.00 -1.71 0.07 0.00 0.00 179.01 178.50 1ija n ASN 49 N -4.35 2.65 -4.55 3.06 5.15 -1.26 -4.40 115.26 111.56 1ija n ASN 49 Ca 0.08 -2.24 -0.35 0.00 -0.60 0.00 0.00 54.58 51.47 1ija n ASN 49 Cb 0.10 -0.43 -0.03 0.00 -0.53 0.00 0.00 39.78 38.89 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1ija s GLU 50 N -1.70 2.15 0.12 1.20 2.56 -0.86 -4.92 118.70 117.24 1ija s GLU 50 Ca 0.25 1.17 -0.14 0.00 0.00 0.00 0.00 54.97 56.25 1ija s GLU 50 Cb 0.16 -4.58 -0.07 0.00 2.00 0.00 0.00 34.13 31.65 1ija s GLU 50 CO 0.11 -3.29 0.51 -1.54 -0.56 0.00 0.00 175.26 170.50 1ija s SER 51 N 11.34 6.80 0.00 -1.70 1.04 -1.26 -4.90 113.70 125.02 1ija s SER 51 Ca 0.91 1.02 0.00 0.00 0.48 0.00 0.00 55.95 58.37 1ija s SER 51 Cb -0.16 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1ija s SER 51 CO 0.23 0.14 0.83 0.18 0.98 0.00 0.00 173.24 175.61 1ija n LEU 52 N 0.96 0.00 0.01 2.42 7.99 -1.26 0.60 117.00 127.72 1ija n LEU 52 Ca -0.07 0.34 0.11 0.00 -0.01 0.00 0.00 56.01 56.38 1ija n LEU 52 Cb 0.52 -0.34 -0.02 0.00 -0.11 0.00 0.00 43.42 43.47 1ija n LEU 52 CO 0.42 -0.34 -0.06 -0.67 -1.51 0.00 0.00 177.39 175.24 1ija n ASP 53 N -1.33 0.64 -4.56 -1.43 2.03 -1.26 -4.86 116.55 105.77 1ija n ASP 53 Ca 0.00 -0.41 -0.40 0.00 0.52 0.00 0.00 54.79 54.50 1ija n ASP 53 Cb 0.02 0.94 -0.04 0.00 -0.72 0.00 0.00 41.12 41.32 1ija n ASP 53 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ija n ASP 54 N -1.82 2.68 0.26 1.67 2.03 0.20 -4.72 116.55 116.85 1ija n ASP 54 Ca 0.02 -0.13 0.04 0.00 0.52 0.00 0.00 54.79 55.24 1ija n ASP 54 Cb 0.41 -1.54 0.22 0.00 -0.72 0.00 0.00 41.12 39.49 1ija n ASP 54 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1ija h GLN 55 N 17.04 0.00 -3.61 -0.67 -0.00 -1.89 -2.99 115.11 122.99 1ija h GLN 55 Ca -0.31 0.00 -0.64 0.00 -0.00 0.00 0.00 58.65 57.70 1ija h GLN 55 Cb 1.26 0.00 -0.41 0.00 0.00 0.00 0.00 27.48 28.33 1ija h GLN 55 CO 1.07 0.00 -0.67 1.21 0.00 0.00 0.00 178.83 180.43 1ija s ASN 56 N -3.20 4.29 0.10 -0.69 3.04 -1.26 -2.78 114.94 114.43 1ija s ASN 56 Ca -0.01 -2.69 -0.10 0.00 0.04 0.00 0.00 52.86 50.11 1ija s ASN 56 Cb 0.02 -1.49 -0.06 0.00 -1.54 0.00 0.00 41.25 38.18 1ija s ASN 56 CO 0.07 -0.28 0.43 -0.63 -3.04 0.00 0.00 177.10 173.65 1ija s ILE 57 N 0.18 5.06 -0.19 -5.21 1.01 -1.13 -5.00 121.20 115.91 1ija s ILE 57 Ca 0.15 0.47 -0.04 0.00 0.00 0.00 0.00 60.65 61.23 1ija s ILE 57 Cb -0.24 -3.65 0.08 0.00 0.01 0.00 0.00 42.46 38.66 1ija s ILE 57 CO -0.03 0.24 0.15 -0.55 0.00 0.00 0.00 174.94 174.75 1ija s SER 58 N -1.85 2.00 0.37 3.58 0.15 -1.26 -1.07 113.70 115.62 1ija s SER 58 Ca 0.35 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.52 1ija s SER 58 Cb -0.14 0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.18 1ija s SER 58 CO 0.19 -0.35 0.56 -0.63 1.20 0.00 0.00 173.24 174.21 1ija s ILE 59 N 2.22 4.61 -0.04 6.45 1.01 -0.99 0.15 121.20 134.61 1ija s ILE 59 Ca 0.05 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.11 1ija s ILE 59 Cb -0.16 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.66 1ija s ILE 59 CO -0.12 -0.41 -0.06 0.00 0.00 0.00 0.00 174.94 174.35 1ija s ALA 60 N -2.35 0.69 -0.01 9.38 0.00 -0.97 -0.81 121.76 127.70 1ija s ALA 60 Ca 0.43 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.23 1ija s ALA 60 Cb -0.10 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1ija s ALA 60 CO 0.35 0.04 0.09 0.20 0.00 0.00 0.00 175.76 176.44 1ija s GLY 61 N 0.67 0.03 0.00 0.00 0.00 -0.57 -3.03 107.32 104.42 1ija s GLY 61 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1ija s GLY 61 CO 0.00 -0.11 0.00 1.42 0.00 0.00 0.00 173.10 174.42 1ija n HIS 62 N 2.19 -3.27 -3.08 1.90 8.25 -1.26 -1.13 115.22 118.83 1ija n HIS 62 Ca -0.18 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.30 1ija n HIS 62 Cb 0.57 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.68 -0.39 1.59 -1.32 -1.26 -0.81 115.64 111.78 1ija s THR 63 Ca 0.00 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.26 1ija s THR 63 Cb 0.00 -0.28 0.01 0.00 -1.51 0.00 0.00 72.50 70.72 1ija s THR 63 CO 0.00 0.00 0.71 -0.36 -2.21 0.00 0.00 174.62 172.76 1ija s PHE 64 N 2.31 3.10 0.46 9.09 0.40 -1.26 -4.86 117.98 127.21 1ija s PHE 64 Ca 0.16 0.32 0.12 0.00 -0.60 0.00 0.00 56.93 56.94 1ija s PHE 64 Cb -0.03 -3.35 1.03 0.00 0.51 0.00 0.00 43.02 41.18 1ija s PHE 64 CO -0.16 -0.76 2.07 0.82 0.70 0.00 0.00 175.22 177.88 1ija h ILE 65 N 5.79 1.08 -0.14 0.64 2.04 -1.98 -0.15 117.51 124.78 1ija h ILE 65 Ca -0.25 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1ija h ILE 65 Cb 1.10 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1ija h ILE 65 CO 0.89 0.09 0.00 -0.67 0.00 0.00 0.00 178.15 178.46 1ija n ASP 66 N -4.45 1.49 -2.98 1.72 2.03 -1.26 -4.18 116.55 108.93 1ija n ASP 66 Ca -0.01 -2.11 -0.14 0.00 0.52 0.00 0.00 54.79 53.05 1ija n ASP 66 Cb 0.12 -0.34 -0.02 0.00 -0.72 0.00 0.00 41.12 40.16 1ija n ASP 66 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1ija n ARG 67 N 0.06 0.60 0.00 -0.67 3.00 -0.07 -5.01 116.66 114.57 1ija n ARG 67 Ca 0.06 -2.43 0.00 0.00 -0.00 0.00 0.00 57.85 55.48 1ija n ARG 67 Cb 0.31 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.33 1ija n ARG 67 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1ija n PRO 68 N 2.12 0.00 -2.93 -0.14 -0.02 -1.25 -3.09 135.00 129.68 1ija n PRO 68 Ca 0.18 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.52 1ija n PRO 68 Cb 0.56 -0.94 0.02 0.00 -0.02 0.00 0.00 33.50 33.13 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 0.52 -1.17 -3.33 2.55 3.02 -1.26 -4.64 115.26 110.95 1ija n ASN 69 Ca 0.00 -3.28 -0.11 0.00 -0.03 0.00 0.00 54.58 51.16 1ija n ASN 69 Cb 0.00 0.80 -0.07 0.00 -0.61 0.00 0.00 39.78 39.90 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 -0.64 -0.86 0.00 3.10 5.04 -1.18 -5.04 117.35 117.78 1ija s TYR 70 Ca 0.31 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 1ija s TYR 70 Cb 0.28 -0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.34 1ija s TYR 70 CO -0.11 -0.97 0.00 1.04 -1.34 0.00 0.00 175.55 174.17 1ija n GLN 71 N 5.32 0.00 -0.95 4.97 6.02 -1.26 -2.06 117.38 129.42 1ija n GLN 71 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 1ija n GLN 71 Cb 0.48 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.82 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 14.00 2.03 0.22 1.08 7.35 0.01 -4.56 117.46 137.59 1ija n PHE 72 Ca 0.00 -1.99 -0.13 0.00 -0.76 0.00 0.00 57.45 54.57 1ija n PHE 72 Cb 0.00 -0.97 -0.07 0.00 0.35 0.00 0.00 39.48 38.78 1ija n PHE 72 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1ija h THR 73 N 0.88 0.43 -0.25 -2.13 2.02 -1.45 -3.36 112.91 109.05 1ija h THR 73 Ca 0.40 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1ija h THR 73 Cb 1.32 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1ija h THR 73 CO 0.92 0.07 0.00 -0.46 0.37 0.00 0.00 175.52 176.42 1ija n ASN 74 N -5.21 2.63 0.17 4.18 0.23 -1.26 -4.45 115.26 111.54 1ija n ASN 74 Ca -0.10 -1.85 0.10 0.00 -0.53 0.00 0.00 54.58 52.21 1ija n ASN 74 Cb 0.30 -0.16 0.55 0.00 -2.08 0.00 0.00 39.78 38.38 1ija n ASN 74 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1ija h LEU 75 N 2.05 0.00 -0.08 -4.53 3.38 -1.81 2.64 115.31 116.95 1ija h LEU 75 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ija h LEU 75 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1ija h LEU 75 CO 0.00 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.82 1ija n LYS 76 N -2.24 0.12 0.05 1.13 2.85 -1.26 -2.27 118.16 116.55 1ija n LYS 76 Ca -0.01 0.16 -0.08 0.00 -1.05 0.00 0.00 58.31 57.33 1ija n LYS 76 Cb 0.11 -1.66 -0.12 0.00 -0.65 0.00 0.00 35.03 32.71 1ija n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ija h ALA 77 N 2.67 0.39 -2.10 0.58 0.00 0.43 -3.46 119.26 117.78 1ija h ALA 77 Ca 0.00 -0.99 -0.19 0.00 0.00 0.00 0.00 54.91 53.73 1ija h ALA 77 Cb 0.54 -0.05 0.11 0.00 0.00 0.00 0.00 17.79 18.40 1ija h ALA 77 CO 0.00 1.28 -0.09 0.00 0.00 0.00 0.00 179.25 180.44 1ija n ALA 78 N -2.40 -2.75 -2.67 0.00 0.00 -0.96 -4.98 120.51 106.75 1ija n ALA 78 Ca -0.03 -0.80 -0.09 0.00 0.00 0.00 0.00 53.44 52.52 1ija n ALA 78 Cb 0.96 -0.07 -0.11 0.00 0.00 0.00 0.00 19.45 20.23 1ija n ALA 78 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ija s LYS 79 N -3.58 0.43 -0.84 0.00 -0.14 -1.26 -5.04 119.74 109.30 1ija s LYS 79 Ca 0.35 -0.83 -0.18 0.00 -1.36 0.00 0.00 55.97 53.95 1ija s LYS 79 Cb -0.06 0.12 -0.21 0.00 -1.68 0.00 0.00 37.83 35.99 1ija s LYS 79 CO 0.29 -0.07 2.21 1.17 -0.76 0.00 0.00 175.35 178.20 1ija n LYS 80 N 1.07 0.28 0.00 1.68 4.81 -1.26 -1.11 118.16 123.63 1ija n LYS 80 Ca -0.20 -0.56 0.00 0.00 -0.87 0.00 0.00 58.31 56.68 1ija n LYS 80 Cb 0.57 -2.56 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 1.17 0.00 0.00 177.40 178.98 1ija n GLY 81 N 6.14 0.13 3.67 3.14 0.00 -1.03 -4.87 105.19 112.37 1ija n GLY 81 Ca 0.52 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 6.53 1.11 1.61 0.15 -0.27 -4.50 113.70 118.33 1ija s SER 82 Ca 0.00 2.53 -0.10 0.00 0.70 0.00 0.00 55.95 59.07 1ija s SER 82 Cb 0.00 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.92 1ija s SER 82 CO 0.00 -0.99 0.58 0.23 1.20 0.00 0.00 173.24 174.26 1ija n MET 83 N 6.96 -1.96 -3.46 5.44 2.81 -1.26 -2.95 117.12 122.70 1ija n MET 83 Ca 0.18 -0.92 -0.16 0.00 -1.81 0.00 0.00 57.70 54.99 1ija n MET 83 Cb 0.41 -0.83 -0.12 0.00 -0.71 0.00 0.00 33.22 31.97 1ija n MET 83 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ija s VAL 84 N -2.08 -0.39 -0.58 2.03 1.01 -1.09 -4.82 120.40 114.48 1ija s VAL 84 Ca 0.37 -0.13 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 1ija s VAL 84 Cb -0.03 -0.72 0.08 0.00 0.00 0.00 0.00 36.38 35.70 1ija s VAL 84 CO 0.28 -0.20 0.76 -0.31 0.00 0.00 0.00 175.10 175.63 1ija s TYR 85 N 2.37 2.92 -0.38 5.22 2.02 -0.92 -2.76 117.35 125.82 1ija s TYR 85 Ca 0.08 -0.68 -0.15 0.00 -0.37 0.00 0.00 57.07 55.95 1ija s TYR 85 Cb -0.16 -3.96 0.00 0.00 -0.40 0.00 0.00 41.96 37.45 1ija s TYR 85 CO -0.14 -1.32 0.33 0.12 -1.57 0.00 0.00 175.55 172.97 1ija s PHE 86 N 3.09 3.22 0.14 2.71 5.36 -0.94 -2.23 117.98 129.33 1ija s PHE 86 Ca 0.16 -0.33 -0.11 0.00 -0.96 0.00 0.00 56.93 55.69 1ija s PHE 86 Cb -0.20 -2.64 -0.06 0.00 -0.34 0.00 0.00 43.02 39.77 1ija s PHE 86 CO 0.10 -0.52 0.49 0.15 -1.46 0.00 0.00 175.22 173.97 1ija s LYS 87 N 1.85 3.84 0.04 10.12 1.02 0.14 -0.82 119.74 135.94 1ija s LYS 87 Ca 0.08 0.29 -0.00 0.00 0.02 0.00 0.00 55.97 56.36 1ija s LYS 87 Cb -0.18 -2.88 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 1ija s LYS 87 CO 0.11 0.47 -0.03 0.08 -0.92 0.00 0.00 175.35 175.06 1ija s VAL 88 N -1.54 0.22 0.00 3.17 1.01 -0.75 -1.27 120.40 121.25 1ija s VAL 88 Ca 0.39 -1.40 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1ija s VAL 88 Cb -0.14 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1ija s VAL 88 CO 0.20 -0.75 0.89 0.61 0.00 0.00 0.00 175.10 176.05 1ija n GLY 89 N 0.80 1.34 0.00 4.51 0.00 -1.26 -2.46 105.19 108.11 1ija n GLY 89 Ca -0.19 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 1.93 0.00 -3.62 1.61 5.15 -1.26 -5.12 115.26 113.94 1ija n ASN 90 Ca 0.02 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.98 1ija n ASN 90 Cb 0.21 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.45 1ija n ASN 90 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1ija s GLU 91 N -0.99 0.60 -0.22 1.20 2.12 -1.03 -5.14 118.70 115.24 1ija s GLU 91 Ca 0.00 -0.30 -0.06 0.00 0.36 0.00 0.00 54.97 54.97 1ija s GLU 91 Cb 0.00 0.23 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 1ija s GLU 91 CO 0.00 -0.27 0.03 -0.08 -0.54 0.00 0.00 175.26 174.40 1ija s THR 92 N -2.70 4.17 0.38 -1.70 -1.32 -1.26 -1.80 115.64 111.40 1ija s THR 92 Ca 0.11 -0.23 -0.01 0.00 -1.21 0.00 0.00 61.69 60.35 1ija s THR 92 Cb 0.01 -2.91 -0.03 0.00 -1.51 0.00 0.00 72.50 68.06 1ija s THR 92 CO -0.04 0.39 0.60 -0.13 -2.21 0.00 0.00 174.62 173.24 1ija s ARG 93 N 1.22 3.48 -0.10 7.08 1.81 0.00 -4.94 118.95 127.50 1ija s ARG 93 Ca 0.04 -0.24 -0.04 0.00 -1.72 0.00 0.00 55.73 53.77 1ija s ARG 93 Cb -0.14 -2.60 0.05 0.00 -0.45 0.00 0.00 34.95 31.81 1ija s ARG 93 CO 0.02 0.06 0.20 -1.59 -0.68 0.00 0.00 175.30 173.32 1ija s LYS 94 N -4.41 0.09 0.50 3.54 -2.85 -1.26 -2.22 119.74 113.14 1ija s LYS 94 Ca 0.42 0.62 0.04 0.00 -1.00 0.00 0.00 55.97 56.05 1ija s LYS 94 Cb -0.10 -0.17 0.00 0.00 -2.06 0.00 0.00 37.83 35.50 1ija s LYS 94 CO 0.38 -0.28 0.20 0.71 0.10 0.00 0.00 175.35 176.46 1ija s TYR 95 N 2.21 1.91 -0.22 1.78 1.51 -1.11 -4.40 117.35 119.04 1ija s TYR 95 Ca 0.01 -0.83 -0.03 0.00 -1.01 0.00 0.00 57.07 55.20 1ija s TYR 95 Cb -0.12 -1.81 0.07 0.00 -0.11 0.00 0.00 41.96 40.00 1ija s TYR 95 CO -0.07 -0.07 0.07 0.21 -1.11 0.00 0.00 175.55 174.58 1ija s LYS 96 N -4.05 0.43 -0.25 -0.62 2.20 -1.11 -2.69 119.74 113.65 1ija s LYS 96 Ca 0.25 -0.43 -0.39 0.00 -0.36 0.00 0.00 55.97 55.04 1ija s LYS 96 Cb 0.01 -1.87 -0.15 0.00 -1.51 0.00 0.00 37.83 34.31 1ija s LYS 96 CO 0.14 -0.75 1.81 -0.12 -0.36 0.00 0.00 175.35 176.07 1ija n MET 97 N 5.12 1.34 -0.49 4.03 0.00 -1.15 -3.14 117.12 122.83 1ija n MET 97 Ca -0.07 0.49 0.00 0.00 -0.00 0.00 0.00 57.70 58.11 1ija n MET 97 Cb 0.46 -2.23 0.00 0.00 0.00 0.00 0.00 33.22 31.45 1ija n MET 97 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1ija n THR 98 N 4.91 0.00 -3.38 1.12 5.66 -1.18 -2.45 114.28 118.95 1ija n THR 98 Ca 0.27 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.29 1ija n THR 98 Cb 0.17 0.38 -0.04 0.00 -1.55 0.00 0.00 70.33 69.28 1ija n THR 98 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1ija s SER 99 N -0.71 -0.62 0.06 1.09 0.01 -1.05 -5.00 113.70 107.49 1ija s SER 99 Ca 0.00 0.78 0.03 0.00 1.31 0.00 0.00 55.95 58.07 1ija s SER 99 Cb 0.00 1.68 -0.03 0.00 0.21 0.00 0.00 66.02 67.88 1ija s SER 99 CO 0.00 -0.12 -0.09 -0.63 0.41 0.00 0.00 173.24 172.81 1ija s ILE 100 N 2.52 0.75 -0.00 1.44 1.01 -1.26 0.01 121.20 125.67 1ija s ILE 100 Ca -0.02 -1.31 -0.03 0.00 0.00 0.00 0.00 60.65 59.29 1ija s ILE 100 Cb -0.07 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 1ija s ILE 100 CO -0.17 -0.43 -0.06 0.54 0.00 0.00 0.00 174.94 174.82 1ija n ARG 101 N 1.12 0.09 -4.09 2.79 3.00 -1.15 -4.96 116.66 113.45 1ija n ARG 101 Ca -0.20 0.04 -0.34 0.00 -0.01 0.00 0.00 57.85 57.33 1ija n ARG 101 Cb 0.56 -0.48 -0.04 0.00 0.00 0.00 0.00 32.46 32.49 1ija n ARG 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ija n ASP 102 N -3.12 -1.19 -2.67 0.55 2.03 -0.98 -4.79 116.55 106.38 1ija n ASP 102 Ca -0.02 -1.15 -0.02 0.00 0.52 0.00 0.00 54.79 54.12 1ija n ASP 102 Cb 0.09 -1.40 0.13 0.00 -0.72 0.00 0.00 41.12 39.21 1ija n ASP 102 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1ija n VAL 103 N -4.38 0.03 -0.46 5.18 3.14 -1.26 -4.99 118.33 115.59 1ija n VAL 103 Ca -0.20 -1.05 0.03 0.00 -2.96 0.00 0.00 64.34 60.16 1ija n VAL 103 Cb 0.56 1.01 -0.02 0.00 -1.06 0.00 0.00 33.84 34.33 1ija n VAL 103 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1ija n LYS 104 N -1.53 -1.13 -1.11 1.45 2.85 -1.26 -4.70 118.16 112.73 1ija n LYS 104 Ca -0.17 0.90 -0.34 0.00 -1.05 0.00 0.00 58.31 57.65 1ija n LYS 104 Cb 0.88 -1.20 -0.11 0.00 -0.65 0.00 0.00 35.03 33.95 1ija n LYS 104 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ija n PRO 105 N -2.29 0.00 -0.00 -1.58 -0.02 -1.26 -4.79 135.00 125.06 1ija n PRO 105 Ca -0.02 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.25 1ija n PRO 105 Cb 0.18 -1.14 -0.14 0.00 -0.02 0.00 0.00 33.50 32.38 1ija n PRO 105 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1ija h THR 106 N 5.96 0.84 -2.26 3.45 1.35 -1.97 -3.47 112.91 116.81 1ija h THR 106 Ca -0.05 -2.36 -0.46 0.00 -0.55 0.00 0.00 66.41 63.00 1ija h THR 106 Cb 1.01 2.56 -0.00 0.00 -1.73 0.00 0.00 68.15 69.99 1ija h THR 106 CO 1.02 0.74 -0.37 -0.62 -0.25 0.00 0.00 175.52 176.04 1ija s ASP 107 N -7.04 6.26 0.00 5.36 2.15 -1.26 -4.94 116.67 117.19 1ija s ASP 107 Ca -0.22 0.11 0.00 0.00 0.43 0.00 0.00 52.55 52.87 1ija s ASP 107 Cb 0.06 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 1ija s ASP 107 CO 0.75 -0.17 0.88 1.33 -0.17 0.00 0.00 175.17 177.79 1ija n VAL 108 N -1.52 0.88 0.00 1.11 0.24 -1.26 -4.66 118.33 113.12 1ija n VAL 108 Ca -0.07 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1ija n VAL 108 Cb 0.57 -0.99 0.00 0.00 -1.47 0.00 0.00 33.84 31.95 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 3.71 0.21 7.63 0.00 -1.26 -4.99 105.19 111.43 1ija n GLY 109 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 1.32 -2.72 1.61 -1.51 -2.02 -3.29 116.25 109.64 1ija h VAL 110 Ca 0.00 -1.62 -0.80 0.00 -1.23 0.00 0.00 66.70 63.05 1ija h VAL 110 Cb 0.00 1.67 -0.29 0.00 -2.13 0.00 0.00 31.29 30.54 1ija h VAL 110 CO 0.00 0.50 0.77 0.18 -1.23 0.00 0.00 177.57 177.79 1ija n LEU 111 N -4.00 6.52 -0.47 4.19 4.77 -1.26 -4.24 117.00 122.51 1ija n LEU 111 Ca -0.02 -5.27 -0.01 0.00 -0.03 0.00 0.00 56.01 50.68 1ija n LEU 111 Cb 0.52 -1.21 -0.01 0.00 -2.33 0.00 0.00 43.42 40.40 1ija n LEU 111 CO 0.44 1.80 0.03 0.47 -1.33 0.00 0.00 177.39 178.80 1ija n ASP 112 N 0.95 -0.08 -0.74 -1.43 8.00 -1.24 -4.97 116.55 117.06 1ija n ASP 112 Ca 0.31 -0.16 -0.03 0.00 0.71 0.00 0.00 54.79 55.61 1ija n ASP 112 Cb 0.32 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 1ija n ASP 112 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1ija n GLU 113 N 0.00 0.00 -0.32 -1.24 -0.00 -1.26 -4.89 120.64 112.94 1ija n GLU 113 Ca -0.02 -0.49 0.01 0.00 -0.00 0.00 0.00 57.16 56.65 1ija n GLU 113 Cb 0.25 0.26 0.01 0.00 -0.00 0.00 0.00 31.44 31.96 1ija n GLU 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ija n GLN 114 N 0.00 0.18 -1.18 3.44 -0.00 -1.26 -4.80 117.38 113.76 1ija n GLN 114 Ca -0.14 -0.99 -0.27 0.00 -0.00 0.00 0.00 57.00 55.60 1ija n GLN 114 Cb 0.58 -0.59 0.11 0.00 -0.00 0.00 0.00 30.24 30.34 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 -0.12 2.34 0.00 2.61 5.02 -1.26 -4.67 118.16 122.08 1ija n LYS 115 Ca 0.01 -2.83 0.00 0.00 -2.02 0.00 0.00 58.31 53.47 1ija n LYS 115 Cb 0.63 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1ija n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ija n GLY 116 N -0.79 -0.94 0.00 0.72 0.00 -1.26 -4.92 105.19 98.00 1ija n GLY 116 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -4.04 1.61 3.00 -1.26 -5.12 118.16 112.35 1ija n LYS 117 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 1ija n LYS 117 Cb 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 35.03 34.84 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 -1.10 5.60 0.27 3.14 2.15 -1.26 -5.05 116.67 120.41 1ija s ASP 118 Ca 0.00 0.02 -0.27 0.00 0.43 0.00 0.00 52.55 52.72 1ija s ASP 118 Cb 0.00 -1.53 -0.15 0.00 -0.30 0.00 0.00 42.92 40.94 1ija s ASP 118 CO 0.00 0.17 0.72 0.29 -0.17 0.00 0.00 175.17 176.18 1ija n LYS 119 N 0.45 0.63 -3.99 4.34 4.76 -1.26 -4.75 118.16 118.33 1ija n LYS 119 Ca -0.08 0.22 -0.10 0.00 -2.87 0.00 0.00 58.31 55.47 1ija n LYS 119 Cb 0.52 -1.41 -0.04 0.00 -1.84 0.00 0.00 35.03 32.26 1ija n LYS 119 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1ija s GLN 120 N -1.30 1.75 0.19 1.97 -2.07 -1.12 -1.73 119.66 117.36 1ija s GLN 120 Ca 0.61 -1.40 0.10 0.00 -1.82 0.00 0.00 55.36 52.85 1ija s GLN 120 Cb -0.79 0.49 -0.04 0.00 -1.09 0.00 0.00 33.01 31.57 1ija s GLN 120 CO 0.58 -0.74 -0.20 -1.17 -1.32 0.00 0.00 175.29 172.44 1ija s LEU 121 N -3.08 2.46 -0.36 2.60 2.96 -0.51 -3.03 118.68 119.72 1ija s LEU 121 Ca 0.23 -0.90 0.01 0.00 -0.22 0.00 0.00 54.13 53.26 1ija s LEU 121 Cb -0.01 -0.96 0.15 0.00 0.50 0.00 0.00 46.19 45.86 1ija s LEU 121 CO 0.12 0.02 0.26 -0.89 -1.32 0.00 0.00 176.35 174.54 1ija s THR 122 N -2.05 0.04 0.54 3.68 2.01 -0.23 -2.66 115.64 116.96 1ija s THR 122 Ca 0.20 -1.63 -0.20 0.00 0.31 0.00 0.00 61.69 60.37 1ija s THR 122 Cb -0.06 -1.01 -0.06 0.00 0.01 0.00 0.00 72.50 71.38 1ija s THR 122 CO 0.09 -0.92 1.15 -0.22 -0.69 0.00 0.00 174.62 174.03 1ija s LEU 123 N 1.05 3.77 0.00 4.42 2.96 -0.95 -2.33 118.68 127.60 1ija s LEU 123 Ca 0.19 2.24 -0.00 0.00 -0.22 0.00 0.00 54.13 56.35 1ija s LEU 123 Cb -0.19 -4.53 -0.00 0.00 0.50 0.00 0.00 46.19 41.97 1ija s LEU 123 CO -0.02 -1.25 -0.00 -0.63 -1.32 0.00 0.00 176.35 173.13 1ija s ILE 124 N -1.70 0.02 0.36 6.68 1.01 0.01 -2.84 121.20 124.74 1ija s ILE 124 Ca 0.72 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 61.14 1ija s ILE 124 Cb -0.26 -0.06 -0.05 0.00 0.01 0.00 0.00 42.46 42.10 1ija s ILE 124 CO 0.29 -0.10 0.64 0.42 0.00 0.00 0.00 174.94 176.19 1ija s THR 125 N -0.29 4.97 -0.38 2.92 -4.23 -1.20 -1.51 115.64 115.92 1ija s THR 125 Ca -0.03 0.11 0.04 0.00 -1.18 0.00 0.00 61.69 60.62 1ija s THR 125 Cb -0.02 -3.78 0.16 0.00 1.34 0.00 0.00 72.50 70.20 1ija s THR 125 CO -0.00 -0.50 0.40 0.00 -0.54 0.00 0.00 174.62 173.97 1ija s ASP 127 N 1.40 -0.21 -0.89 0.00 2.15 -1.26 -4.02 116.67 113.83 1ija s ASP 127 Ca 0.17 0.26 -0.04 0.00 0.43 0.00 0.00 52.55 53.37 1ija s ASP 127 Cb -0.14 0.42 -0.04 0.00 -0.30 0.00 0.00 42.92 42.86 1ija s ASP 127 CO -0.03 -0.30 0.79 0.47 -0.17 0.00 0.00 175.17 175.93 1ija n ASP 128 N 1.94 -6.72 -4.67 -0.34 8.00 -1.26 -4.20 116.55 109.30 1ija n ASP 128 Ca -0.18 -0.46 -0.42 0.00 0.71 0.00 0.00 54.79 54.43 1ija n ASP 128 Cb 0.57 -4.96 -0.03 0.00 -0.02 0.00 0.00 41.12 36.68 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 -3.24 1.89 -0.21 1.24 6.14 -1.26 -2.72 117.35 119.18 1ija s TYR 129 Ca 0.29 -0.02 -0.24 0.00 0.64 0.00 0.00 57.07 57.73 1ija s TYR 129 Cb -0.04 -4.08 -0.01 0.00 0.42 0.00 0.00 41.96 38.26 1ija s TYR 129 CO 0.70 -4.57 0.81 1.21 0.64 0.00 0.00 175.55 174.34 1ija s ASN 130 N 3.36 6.86 -0.06 4.32 2.47 -0.94 -4.78 114.94 126.17 1ija s ASN 130 Ca 0.80 1.07 0.13 0.00 0.42 0.00 0.00 52.86 55.27 1ija s ASN 130 Cb -0.40 -2.43 0.47 0.00 -1.45 0.00 0.00 41.25 37.43 1ija s ASN 130 CO 0.35 -0.45 1.34 -1.84 -3.72 0.00 0.00 177.10 172.78 1ija n GLU 131 N 5.62 2.65 0.11 0.43 0.28 -1.26 -2.46 120.64 126.01 1ija n GLU 131 Ca 0.04 -1.85 0.00 0.00 -0.16 0.00 0.00 57.16 55.20 1ija n GLU 131 Cb 0.48 -1.61 -0.02 0.00 1.43 0.00 0.00 31.44 31.72 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 2.73 0.00 0.00 3.44 1.57 -1.92 -3.37 116.57 119.01 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 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1ija h LYS 132 CO 0.12 0.58 0.00 0.25 -0.57 0.00 0.00 179.45 179.83 1ija n THR 133 N -3.21 0.00 -2.75 -0.16 -2.24 -1.26 -5.03 114.28 99.64 1ija n THR 133 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1ija n THR 133 Cb 0.79 1.30 0.05 0.00 -2.10 0.00 0.00 70.33 70.37 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 0.00 -0.12 3.15 3.38 0.00 -1.14 -5.05 105.19 105.42 1ija n GLY 134 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.22 -0.00 -0.16 1.61 1.01 -1.03 -5.04 120.40 113.57 1ija s VAL 135 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 61.98 61.74 1ija s VAL 135 Cb -0.01 -0.37 -0.10 0.00 0.00 0.00 0.00 36.38 35.90 1ija s VAL 135 CO 0.43 0.00 2.05 0.79 0.00 0.00 0.00 175.10 178.37 1ija n TRP 136 N 2.96 2.11 0.00 5.22 7.02 -1.26 -2.22 117.44 131.27 1ija n TRP 136 Ca -0.13 -0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 1ija n TRP 136 Cb 0.58 -2.67 0.00 0.00 -2.42 0.00 0.00 31.31 26.80 1ija n TRP 136 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1ija n GLU 137 N 7.63 0.00 -2.87 -0.99 4.07 -1.10 -4.41 120.64 122.97 1ija n GLU 137 Ca 0.28 0.20 -0.35 0.00 -0.06 0.00 0.00 57.16 57.24 1ija n GLU 137 Cb 0.33 -0.69 -0.07 0.00 -0.06 0.00 0.00 31.44 30.96 1ija n GLU 137 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1ija s LYS 138 N -0.42 4.36 -0.50 5.31 1.02 -1.26 -4.99 119.74 123.26 1ija s LYS 138 Ca 0.00 1.13 0.06 0.00 0.02 0.00 0.00 55.97 57.19 1ija s LYS 138 Cb 0.00 -2.56 0.21 0.00 -0.52 0.00 0.00 37.83 34.97 1ija s LYS 138 CO 0.00 0.17 0.78 -2.13 -0.92 0.00 0.00 175.35 173.26 1ija n ARG 139 N 0.07 0.64 -1.58 1.68 0.63 -1.26 -4.55 116.66 112.30 1ija n ARG 139 Ca 0.03 -1.97 -0.30 0.00 -0.92 0.00 0.00 57.85 54.69 1ija n ARG 139 Cb 0.52 -1.47 0.08 0.00 0.45 0.00 0.00 32.46 32.04 1ija n ARG 139 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1ija s LYS 140 N 0.71 2.34 0.09 -0.14 3.01 -1.26 -4.80 119.74 119.68 1ija s LYS 140 Ca 0.31 0.71 0.03 0.00 -1.01 0.00 0.00 55.97 56.01 1ija s LYS 140 Cb 0.11 -1.94 -0.04 0.00 -1.01 0.00 0.00 37.83 34.95 1ija s LYS 140 CO -0.15 -1.46 -0.09 0.42 0.51 0.00 0.00 175.35 174.58 1ija s ILE 141 N -3.14 0.83 0.06 2.17 -1.09 -1.26 -3.24 121.20 115.53 1ija s ILE 141 Ca 0.60 -1.67 -0.03 0.00 -2.23 0.00 0.00 60.65 57.32 1ija s ILE 141 Cb -0.14 -1.37 -0.03 0.00 -1.58 0.00 0.00 42.46 39.34 1ija s ILE 141 CO 0.54 -0.63 0.03 -0.36 -1.23 0.00 0.00 174.94 173.29 1ija s PHE 142 N -2.66 0.42 -0.02 3.97 0.40 -1.13 -2.31 117.98 116.64 1ija s PHE 142 Ca 0.06 -0.93 -0.09 0.00 -0.60 0.00 0.00 56.93 55.36 1ija s PHE 142 Cb -0.01 -0.30 0.01 0.00 0.51 0.00 0.00 43.02 43.23 1ija s PHE 142 CO -0.01 -0.42 0.20 0.08 0.70 0.00 0.00 175.22 175.77 1ija s VAL 143 N -3.84 0.05 0.06 -0.44 1.01 0.10 -2.24 120.40 115.11 1ija s VAL 143 Ca 0.06 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1ija s VAL 143 Cb 0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1ija s VAL 143 CO -0.10 -0.25 0.07 0.00 0.00 0.00 0.00 175.10 174.82 1ija s ALA 144 N -0.96 0.13 0.01 5.51 0.00 -1.09 -2.54 121.76 122.84 1ija s ALA 144 Ca -0.10 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.04 1ija s ALA 144 Cb -0.05 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1ija s ALA 144 CO 0.02 -0.40 -0.12 -0.08 0.00 0.00 0.00 175.76 175.17 1ija s THR 145 N -3.59 0.95 0.30 0.00 -1.32 -1.19 -1.43 115.64 109.37 1ija s THR 145 Ca 0.03 -0.73 -0.30 0.00 -1.21 0.00 0.00 61.69 59.49 1ija s THR 145 Cb 0.05 -0.83 -0.11 0.00 -1.51 0.00 0.00 72.50 70.09 1ija s THR 145 CO -0.09 0.11 1.58 -0.70 -2.21 0.00 0.00 174.62 173.31 1ija s GLU 146 N -0.71 4.12 0.31 7.08 -6.30 -0.70 -2.74 118.70 119.76 1ija s GLU 146 Ca 0.02 2.58 0.04 0.00 -2.50 0.00 0.00 54.97 55.11 1ija s GLU 146 Cb -0.06 -3.02 -0.03 0.00 0.00 0.00 0.00 34.13 31.02 1ija s GLU 146 CO 0.00 -0.62 0.19 0.08 0.02 0.00 0.00 175.26 174.93 1ija s VAL 147 N -0.14 0.22 0.00 3.70 1.01 -1.26 -4.93 120.40 118.99 1ija s VAL 147 Ca 0.62 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1ija s VAL 147 Cb -0.48 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1ija s VAL 147 CO 0.50 0.00 0.00 2.29 0.00 0.00 0.00 175.10 177.89