#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 1.00 -0.05 0.03 -0.21 -1.26 -5.18 119.66 113.99 1ija s GLN 2 Ca 0.00 -0.96 -0.31 0.00 0.02 0.00 0.00 55.36 54.11 1ija s GLN 2 Cb 0.00 0.39 0.11 0.00 1.00 0.00 0.00 33.01 34.51 1ija s GLN 2 CO 0.00 -0.35 1.04 0.00 -2.12 0.00 0.00 175.29 173.86 1ija s ALA 3 N -3.88 -1.92 -0.11 6.09 0.00 -1.26 -4.76 121.76 115.91 1ija s ALA 3 Ca 0.08 1.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.94 1ija s ALA 3 Cb 0.04 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.46 1ija s ALA 3 CO -0.08 -0.74 0.42 0.15 0.00 0.00 0.00 175.76 175.52 1ija s LYS 4 N -2.84 0.60 -0.73 0.00 1.02 -1.26 -5.07 119.74 111.45 1ija s LYS 4 Ca 0.08 0.36 -0.25 0.00 0.02 0.00 0.00 55.97 56.19 1ija s LYS 4 Cb -0.00 0.28 0.05 0.00 -0.52 0.00 0.00 37.83 37.64 1ija s LYS 4 CO -0.06 -0.12 1.16 -1.25 -0.92 0.00 0.00 175.35 174.17 1ija s PRO 5 N -0.31 3.19 -0.45 -1.68 0.04 -1.26 -4.83 135.00 129.70 1ija s PRO 5 Ca -0.05 -0.55 0.07 0.00 0.04 0.00 0.00 61.00 60.51 1ija s PRO 5 Cb -0.03 -4.27 0.23 0.00 0.04 0.00 0.00 34.50 30.46 1ija s PRO 5 CO 0.02 -2.01 0.68 0.94 0.04 0.00 0.00 177.00 176.67 1ija n GLN 6 N 8.63 0.65 -3.32 4.56 -0.06 -1.26 -5.06 117.38 121.52 1ija n GLN 6 Ca 0.02 -2.44 -0.12 0.00 -2.00 0.00 0.00 57.00 52.47 1ija n GLN 6 Cb 0.48 -1.41 -0.06 0.00 -4.06 0.00 0.00 30.24 25.18 1ija n GLN 6 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1ija s ILE 7 N 0.03 -0.53 0.00 1.69 1.01 -1.26 -4.85 121.20 117.30 1ija s ILE 7 Ca 0.33 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1ija s ILE 7 Cb 0.15 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.94 1ija s ILE 7 CO -0.17 -0.40 0.00 -2.65 0.00 0.00 0.00 174.94 171.72 1ija n PRO 8 N 4.66 0.53 0.00 2.79 -0.02 -1.26 -5.00 135.00 136.70 1ija n PRO 8 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1ija n PRO 8 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 1ija n PRO 8 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ija n LYS 9 N -0.58 2.17 -2.50 -0.52 5.02 -1.26 -4.91 118.16 115.59 1ija n LYS 9 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1ija n LYS 9 Cb 0.00 -0.84 -0.02 0.00 -0.02 0.00 0.00 35.03 34.15 1ija n LYS 9 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ija s ASP 10 N -1.68 6.70 0.00 4.39 -1.08 -1.26 -4.84 116.67 118.90 1ija s ASP 10 Ca 0.00 1.02 0.00 0.00 -0.52 0.00 0.00 52.55 53.05 1ija s ASP 10 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1ija s ASP 10 CO 0.00 -1.09 0.59 0.29 0.52 0.00 0.00 175.17 175.47 1ija n LYS 11 N 7.36 0.00 -1.85 4.34 4.76 -1.26 -1.63 118.16 129.88 1ija n LYS 11 Ca 0.14 0.12 -0.29 0.00 -2.87 0.00 0.00 58.31 55.41 1ija n LYS 11 Cb 0.47 -1.51 0.04 0.00 -1.84 0.00 0.00 35.03 32.19 1ija n LYS 11 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1ija n SER 12 N -1.09 5.96 -3.78 4.39 3.41 -1.26 -4.78 113.62 116.47 1ija n SER 12 Ca 0.00 -3.77 -0.13 0.00 -0.26 0.00 0.00 58.87 54.72 1ija n SER 12 Cb 0.01 -0.60 -0.12 0.00 -0.26 0.00 0.00 64.21 63.24 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 -3.70 0.24 0.89 4.33 2.20 -0.64 -5.15 119.74 117.92 1ija s LYS 13 Ca 0.55 0.37 -0.10 0.00 -0.36 0.00 0.00 55.97 56.43 1ija s LYS 13 Cb 0.44 0.06 0.13 0.00 -1.51 0.00 0.00 37.83 36.95 1ija s LYS 13 CO -0.03 -0.07 1.15 0.08 -0.36 0.00 0.00 175.35 176.12 1ija s VAL 14 N 0.43 2.18 0.00 4.02 1.01 -1.26 -4.27 120.40 122.51 1ija s VAL 14 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1ija s VAL 14 Cb -0.04 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1ija s VAL 14 CO -0.02 -0.08 0.08 0.00 0.00 0.00 0.00 175.10 175.08 1ija n ALA 15 N -4.11 0.18 0.00 5.51 0.00 -0.90 -4.72 120.51 116.47 1ija n ALA 15 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ija n ALA 15 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1ija n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ija n GLY 16 N -0.00 -1.41 3.06 0.00 0.00 -1.26 -4.81 105.19 100.77 1ija n GLY 16 Ca 0.00 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.96 -0.41 -0.04 1.61 1.51 -1.12 -3.12 117.35 112.83 1ija s TYR 17 Ca 0.00 0.93 -0.12 0.00 -1.01 0.00 0.00 57.07 56.87 1ija s TYR 17 Cb 0.00 0.04 -0.05 0.00 -0.11 0.00 0.00 41.96 41.84 1ija s TYR 17 CO 0.00 -0.30 0.32 -1.50 -1.11 0.00 0.00 175.55 172.96 1ija s ILE 18 N 1.77 5.19 -0.03 2.71 1.10 -0.57 -1.03 121.20 130.34 1ija s ILE 18 Ca -0.05 0.62 -0.07 0.00 -0.51 0.00 0.00 60.65 60.64 1ija s ILE 18 Cb -0.11 -3.61 0.01 0.00 0.15 0.00 0.00 42.46 38.90 1ija s ILE 18 CO -0.09 0.59 0.17 -1.61 -2.11 0.00 0.00 174.94 171.88 1ija s GLU 19 N -1.08 0.37 -0.12 3.50 2.02 -0.99 -2.26 118.70 120.14 1ija s GLU 19 Ca 0.21 -0.10 -0.06 0.00 0.02 0.00 0.00 54.97 55.04 1ija s GLU 19 Cb -0.15 0.16 0.05 0.00 0.10 0.00 0.00 34.13 34.29 1ija s GLU 19 CO 0.10 -0.08 0.29 0.42 0.02 0.00 0.00 175.26 176.01 1ija s ILE 20 N -0.72 -0.06 -0.09 -1.63 1.01 -0.37 -1.81 121.20 117.53 1ija s ILE 20 Ca -0.08 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.50 1ija s ILE 20 Cb -0.05 -0.44 -0.17 0.00 0.01 0.00 0.00 42.46 41.81 1ija s ILE 20 CO 0.01 0.06 0.73 1.55 0.00 0.00 0.00 174.94 177.29 1ija h PRO 21 N 7.25 -0.09 -0.79 2.79 0.13 -1.84 0.19 132.00 139.63 1ija h PRO 21 Ca -0.38 0.01 0.23 0.00 -0.87 0.00 0.00 66.00 64.99 1ija h PRO 21 Cb 1.16 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1ija h PRO 21 CO 0.34 0.46 0.68 -0.44 -0.23 0.00 0.00 178.00 178.81 1ija h ASP 22 N -0.90 0.00 -0.20 1.44 5.19 -1.97 0.72 116.42 120.71 1ija h ASP 22 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1ija h ASP 22 Cb 0.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 1ija h ASP 22 CO 0.02 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.14 1ija n ALA 23 N -2.54 2.29 -3.59 3.45 0.00 -1.23 -4.63 120.51 114.27 1ija n ALA 23 Ca 0.16 -0.91 -0.24 0.00 0.00 0.00 0.00 53.44 52.45 1ija n ALA 23 Cb 0.96 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 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 0.50 -2.18 -4.85 0.00 5.68 0.25 -4.76 116.55 111.19 1ija n ASP 24 Ca 0.09 -0.48 -0.34 0.00 -0.50 0.00 0.00 54.79 53.56 1ija n ASP 24 Cb 0.35 -1.88 -0.06 0.00 -1.14 0.00 0.00 41.12 38.39 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 -2.79 4.88 -0.41 2.12 1.01 0.36 -4.91 121.20 121.46 1ija s ILE 25 Ca 0.46 0.72 0.01 0.00 0.00 0.00 0.00 60.65 61.84 1ija s ILE 25 Cb -0.26 -3.70 0.19 0.00 0.01 0.00 0.00 42.46 38.70 1ija s ILE 25 CO 0.57 0.15 0.85 -0.75 0.00 0.00 0.00 174.94 175.76 1ija s LYS 26 N -2.20 0.65 0.09 2.79 2.20 -1.25 -1.24 119.74 120.77 1ija s LYS 26 Ca 0.40 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 1ija s LYS 26 Cb -0.14 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.15 1ija s LYS 26 CO 0.20 -0.85 -0.07 -1.21 -0.36 0.00 0.00 175.35 173.06 1ija s GLU 27 N 1.35 0.78 0.60 4.03 0.41 -0.96 -4.98 118.70 119.93 1ija s GLU 27 Ca 0.22 -1.23 -0.09 0.00 -0.41 0.00 0.00 54.97 53.46 1ija s GLU 27 Cb 0.02 -0.23 -0.02 0.00 -1.78 0.00 0.00 34.13 32.13 1ija s GLU 27 CO -0.09 -0.00 0.97 -1.25 -0.49 0.00 0.00 175.26 174.40 1ija s PRO 28 N -3.41 3.34 -0.12 0.39 0.04 -1.26 -1.51 135.00 132.46 1ija s PRO 28 Ca 0.08 0.45 0.01 0.00 0.04 0.00 0.00 61.00 61.58 1ija s PRO 28 Cb 0.02 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1ija s PRO 28 CO -0.04 -0.59 -0.15 0.08 0.04 0.00 0.00 177.00 176.34 1ija s VAL 29 N -3.08 1.52 0.39 -0.36 1.01 -1.18 -3.33 120.40 115.37 1ija s VAL 29 Ca 0.54 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1ija s VAL 29 Cb -0.11 -1.41 -0.08 0.00 0.00 0.00 0.00 36.38 34.79 1ija s VAL 29 CO 0.50 0.45 0.80 -0.31 0.00 0.00 0.00 175.10 176.54 1ija s TYR 30 N 1.18 3.42 -0.70 5.22 2.02 -0.96 -2.12 117.35 125.41 1ija s TYR 30 Ca -0.02 1.22 -0.26 0.00 -0.37 0.00 0.00 57.07 57.64 1ija s TYR 30 Cb -0.14 -2.56 0.04 0.00 -0.40 0.00 0.00 41.96 38.90 1ija s TYR 30 CO -0.05 -0.07 1.16 -1.25 -1.57 0.00 0.00 175.55 173.77 1ija s PRO 31 N -3.50 3.19 0.00 -1.71 0.04 -1.26 -2.97 135.00 128.79 1ija s PRO 31 Ca 0.54 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1ija s PRO 31 Cb -0.10 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1ija s PRO 31 CO 0.25 -1.99 0.00 0.41 0.04 0.00 0.00 177.00 175.71 1ija n GLY 32 N 5.33 -0.93 3.66 0.56 0.00 -1.26 -4.60 105.19 107.96 1ija n GLY 32 Ca 0.01 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.75 1.61 0.04 -1.26 -3.65 135.00 133.25 1ija s PRO 33 Ca 0.00 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 62.47 1ija s PRO 33 Cb 0.00 -3.68 -0.25 0.00 0.04 0.00 0.00 34.50 30.61 1ija s PRO 33 CO 0.00 -0.63 1.87 0.00 0.04 0.00 0.00 177.00 178.28 1ija n ALA 34 N 6.27 0.97 -2.75 8.56 0.00 -0.07 -4.85 120.51 128.65 1ija n ALA 34 Ca 0.12 -0.88 -0.27 0.00 0.00 0.00 0.00 53.44 52.41 1ija n ALA 34 Cb 0.46 -1.94 -0.07 0.00 0.00 0.00 0.00 19.45 17.90 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 0.26 4.23 0.13 0.00 -4.23 -1.26 -5.01 115.64 109.77 1ija s THR 35 Ca 0.99 -1.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.26 1ija s THR 35 Cb -0.63 -3.12 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 1ija s THR 35 CO 0.42 -0.04 1.53 1.55 -0.54 0.00 0.00 174.62 177.54 1ija h PRO 36 N 2.75 0.83 0.00 3.99 0.13 -1.99 -1.33 132.00 136.40 1ija h PRO 36 Ca -0.47 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1ija h PRO 36 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ija h PRO 36 CO 0.62 0.97 0.00 1.05 -0.23 0.00 0.00 178.00 180.40 1ija h GLU 37 N 0.66 0.00 0.00 0.86 -0.00 -1.98 -2.56 114.58 111.56 1ija h GLU 37 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.46 1ija h GLU 37 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.43 1ija h GLU 37 CO 0.05 0.00 -0.48 0.94 -0.00 0.00 0.00 179.01 179.52 1ija n GLN 38 N -3.05 0.31 -0.01 1.06 0.00 -1.08 -4.24 117.38 110.37 1ija n GLN 38 Ca -0.02 0.28 0.21 0.00 -0.00 0.00 0.00 57.00 57.48 1ija n GLN 38 Cb 0.15 -1.23 0.47 0.00 0.00 0.00 0.00 30.24 29.64 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 -0.64 0.00 -2.51 1.69 3.38 -1.30 1.82 115.31 117.75 1ija h LEU 39 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ija h LEU 39 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ija h LEU 39 CO 0.00 0.00 0.01 0.78 0.09 0.00 0.00 178.44 179.32 1ija h ASN 40 N 0.00 0.00 0.49 -0.43 4.21 -1.63 0.54 115.58 118.76 1ija h ASN 40 Ca 0.31 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1ija h ASN 40 Cb 2.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.38 1ija h ASN 40 CO -0.00 0.00 -0.41 0.54 -1.29 0.00 0.00 177.43 176.26 1ija n ARG 41 N -3.77 0.15 0.00 0.81 1.74 0.62 -5.03 116.66 111.18 1ija n ARG 41 Ca -0.03 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1ija n ARG 41 Cb 0.09 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1ija n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ija n GLY 42 N 1.47 -0.23 3.92 -0.13 0.00 0.19 -5.06 105.19 105.35 1ija n GLY 42 Ca 0.07 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.41 5.09 -0.05 1.61 1.01 -1.21 -4.30 120.40 120.14 1ija s VAL 43 Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 1ija s VAL 43 Cb 0.00 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1ija s VAL 43 CO 0.00 -0.21 0.39 -0.55 0.00 0.00 0.00 175.10 174.74 1ija s SER 44 N -3.54 -0.32 1.13 3.32 0.15 -1.08 -2.27 113.70 111.09 1ija s SER 44 Ca 0.34 0.35 -0.16 0.00 0.70 0.00 0.00 55.95 57.17 1ija s SER 44 Cb -0.10 0.46 0.17 0.00 -1.71 0.00 0.00 66.02 64.85 1ija s SER 44 CO 0.28 -0.41 0.41 0.49 1.20 0.00 0.00 173.24 175.21 1ija n PHE 45 N 1.54 -1.35 1.35 3.44 3.72 -1.16 -1.95 117.46 123.05 1ija n PHE 45 Ca -0.19 0.03 0.13 0.00 -0.05 0.00 0.00 57.45 57.37 1ija n PHE 45 Cb 0.56 -1.63 0.42 0.00 -0.94 0.00 0.00 39.48 37.89 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 -4.61 2.54 -3.60 4.37 0.00 0.24 -0.89 120.51 118.57 1ija n ALA 46 Ca 0.02 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.80 1ija n ALA 46 Cb 0.59 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 1ija n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ija s GLU 47 N -1.97 0.84 0.32 0.00 0.41 -1.25 -4.17 118.70 112.88 1ija s GLU 47 Ca 0.35 0.73 0.00 0.00 -0.41 0.00 0.00 54.97 55.64 1ija s GLU 47 Cb 0.21 0.41 0.54 0.00 -1.78 0.00 0.00 34.13 33.50 1ija s GLU 47 CO 0.32 -0.16 1.98 1.05 -0.49 0.00 0.00 175.26 177.96 1ija h GLU 48 N 4.29 0.97 -0.01 1.61 4.11 -1.90 -1.95 114.58 121.70 1ija h GLU 48 Ca -0.28 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.09 1ija h GLU 48 Cb 1.16 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1ija h GLU 48 CO 0.15 0.64 -0.01 -1.71 0.07 0.00 0.00 179.01 178.15 1ija n ASN 49 N -4.43 1.43 -4.56 3.06 5.15 -1.26 -4.54 115.26 110.11 1ija n ASN 49 Ca 0.09 -1.46 -0.18 0.00 -0.60 0.00 0.00 54.58 52.44 1ija n ASN 49 Cb 0.06 0.01 -0.07 0.00 -0.53 0.00 0.00 39.78 39.25 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 -2.02 1.88 0.76 1.20 2.56 -0.73 -4.91 118.70 117.43 1ija s GLU 50 Ca 0.38 0.20 -0.04 0.00 0.00 0.00 0.00 54.97 55.50 1ija s GLU 50 Cb 0.21 -4.88 0.13 0.00 2.00 0.00 0.00 34.13 31.59 1ija s GLU 50 CO 0.34 -4.17 1.05 -1.12 -0.56 0.00 0.00 175.26 170.80 1ija s SER 51 N 9.88 4.19 0.00 -1.70 0.01 -1.26 -4.94 113.70 119.88 1ija s SER 51 Ca 0.85 -0.19 0.25 0.00 1.31 0.00 0.00 55.95 58.17 1ija s SER 51 Cb -0.11 -0.17 1.15 0.00 0.21 0.00 0.00 66.02 67.11 1ija s SER 51 CO 0.06 -1.98 1.82 0.00 0.41 0.00 0.00 173.24 173.55 1ija n LEU 52 N -2.99 0.00 0.14 2.44 -0.00 -1.26 -2.62 117.00 112.70 1ija n LEU 52 Ca 0.14 0.40 0.12 0.00 -0.00 0.00 0.00 56.01 56.68 1ija n LEU 52 Cb 0.60 -0.40 0.08 0.00 -0.00 0.00 0.00 43.42 43.70 1ija n LEU 52 CO 0.44 -0.06 0.32 -2.24 -0.00 0.00 0.00 177.39 175.84 1ija h ASP 53 N 0.00 0.00 -1.98 1.45 3.04 -1.90 -3.45 116.42 113.58 1ija h ASP 53 Ca 0.00 -0.02 -0.59 0.00 -3.24 0.00 0.00 57.03 53.18 1ija h ASP 53 Cb 0.34 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.63 1ija h ASP 53 CO 0.00 0.01 1.46 -0.67 -2.04 0.00 0.00 179.24 178.00 1ija n ASP 54 N -2.75 3.32 0.25 4.15 -0.08 -1.08 -4.74 116.55 115.63 1ija n ASP 54 Ca 0.02 0.31 0.04 0.00 -1.51 0.00 0.00 54.79 53.64 1ija n ASP 54 Cb 0.53 -1.54 0.22 0.00 2.34 0.00 0.00 41.12 42.68 1ija n ASP 54 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1ija h GLN 55 N 14.34 0.00 -3.53 -0.67 4.15 -1.87 -3.15 115.11 124.38 1ija h GLN 55 Ca -0.42 0.00 -0.58 0.00 0.77 0.00 0.00 58.65 58.43 1ija h GLN 55 Cb 1.24 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.54 1ija h GLN 55 CO 0.96 0.00 -0.76 -0.80 -1.93 0.00 0.00 178.83 176.30 1ija s ASN 56 N -3.20 3.97 -0.26 -0.69 -0.87 -1.26 -2.73 114.94 109.90 1ija s ASN 56 Ca -0.01 -1.59 -0.16 0.00 -1.57 0.00 0.00 52.86 49.53 1ija s ASN 56 Cb 0.02 -0.84 -0.03 0.00 -0.02 0.00 0.00 41.25 40.38 1ija s ASN 56 CO 0.07 -0.41 0.42 -0.63 -2.57 0.00 0.00 177.10 173.99 1ija s ILE 57 N 1.64 5.14 -0.29 0.60 1.01 -1.14 -4.93 121.20 123.23 1ija s ILE 57 Ca 0.09 0.69 -0.07 0.00 0.00 0.00 0.00 60.65 61.36 1ija s ILE 57 Cb -0.17 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.56 1ija s ILE 57 CO -0.25 0.15 0.08 -0.55 0.00 0.00 0.00 174.94 174.37 1ija s SER 58 N 1.54 5.13 0.37 3.58 0.15 -1.26 -0.37 113.70 122.83 1ija s SER 58 Ca 0.17 -0.67 0.08 0.00 0.70 0.00 0.00 55.95 56.23 1ija s SER 58 Cb -0.16 -1.88 -0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1ija s SER 58 CO 0.09 -0.18 0.26 -0.63 1.20 0.00 0.00 173.24 173.99 1ija s ILE 59 N 1.51 3.05 -0.02 6.45 1.01 -1.03 0.79 121.20 132.95 1ija s ILE 59 Ca 0.03 -1.48 0.01 0.00 0.00 0.00 0.00 60.65 59.20 1ija s ILE 59 Cb -0.17 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.26 1ija s ILE 59 CO 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 174.94 174.84 1ija s ALA 60 N -2.41 0.35 0.02 9.38 0.00 -0.82 -0.98 121.76 127.31 1ija s ALA 60 Ca 0.42 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1ija s ALA 60 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1ija s ALA 60 CO 0.25 -0.02 -0.04 0.20 0.00 0.00 0.00 175.76 176.15 1ija s GLY 61 N 0.71 0.28 0.92 0.00 0.00 -0.27 -2.63 107.32 106.33 1ija s GLY 61 Ca -0.07 -0.56 -0.12 0.00 0.00 0.00 0.00 44.72 43.97 1ija s GLY 61 CO -0.01 -0.61 1.11 0.30 0.00 0.00 0.00 173.10 173.89 1ija s HIS 62 N -1.22 2.39 -0.39 1.90 3.76 -1.26 -1.07 115.29 119.41 1ija s HIS 62 Ca -0.12 1.02 0.04 0.00 -0.15 0.00 0.00 55.06 55.85 1ija s HIS 62 Cb -0.09 -3.26 0.16 0.00 1.11 0.00 0.00 32.58 30.50 1ija s HIS 62 CO -0.00 -2.45 0.40 -0.08 -0.85 0.00 0.00 174.74 171.75 1ija s THR 63 N -3.09 -0.32 -0.61 1.30 -1.32 -1.11 0.26 115.64 110.75 1ija s THR 63 Ca 0.64 -1.13 -0.23 0.00 -1.21 0.00 0.00 61.69 59.76 1ija s THR 63 Cb -0.17 -0.66 0.06 0.00 -1.51 0.00 0.00 72.50 70.22 1ija s THR 63 CO 0.56 -0.60 0.92 -0.36 -2.21 0.00 0.00 174.62 172.92 1ija s PHE 64 N 1.26 2.75 0.52 9.09 0.40 -1.26 -4.74 117.98 126.00 1ija s PHE 64 Ca 0.19 -0.37 0.18 0.00 -0.60 0.00 0.00 56.93 56.33 1ija s PHE 64 Cb -0.13 -4.14 1.30 0.00 0.51 0.00 0.00 43.02 40.56 1ija s PHE 64 CO -0.04 -1.48 2.13 0.82 0.70 0.00 0.00 175.22 177.34 1ija h ILE 65 N 5.98 0.95 -0.15 0.64 2.04 -1.99 0.11 117.51 125.09 1ija h ILE 65 Ca -0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1ija h ILE 65 Cb 1.07 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1ija h ILE 65 CO 1.13 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 178.61 1ija n ASP 66 N -4.50 1.14 -3.01 1.72 2.03 -1.26 -4.26 116.55 108.41 1ija n ASP 66 Ca -0.01 -2.05 -0.14 0.00 0.52 0.00 0.00 54.79 53.11 1ija n ASP 66 Cb 0.18 -0.21 -0.03 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.01 0.48 0.00 -0.67 0.63 0.38 -5.01 116.66 112.49 1ija n ARG 67 Ca 0.06 -2.49 0.00 0.00 -0.92 0.00 0.00 57.85 54.50 1ija n ARG 67 Cb 0.21 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.62 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 2.54 0.00 -2.97 -0.14 -0.02 -1.25 -3.33 135.00 129.83 1ija n PRO 68 Ca 0.21 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.55 1ija n PRO 68 Cb 0.54 -1.33 0.02 0.00 -0.02 0.00 0.00 33.50 32.71 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 1.14 -0.73 0.00 2.55 3.02 -1.26 -4.84 115.26 115.13 1ija n ASN 69 Ca 0.00 -3.30 0.00 0.00 -0.03 0.00 0.00 54.58 51.25 1ija n ASN 69 Cb 0.00 0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1ija n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ija n TYR 70 N 0.45 0.00 0.00 3.10 9.36 -1.21 -5.09 117.16 123.78 1ija n TYR 70 Ca 0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.38 1ija n TYR 70 Cb 0.67 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.38 1ija n TYR 70 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1ija n GLN 71 N 0.00 0.00 0.01 2.98 3.00 -1.25 -4.51 117.38 117.61 1ija n GLN 71 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 1ija n GLN 71 Cb 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 30.24 29.75 1ija n GLN 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1ija n PHE 72 N -0.32 0.10 -0.28 1.08 -0.00 0.72 -4.39 117.46 114.36 1ija n PHE 72 Ca 0.00 0.03 0.26 0.00 -0.00 0.00 0.00 57.45 57.74 1ija n PHE 72 Cb 0.00 -0.27 0.49 0.00 -0.00 0.00 0.00 39.48 39.70 1ija n PHE 72 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1ija n THR 73 N -1.67 -0.37 0.04 -2.13 -1.04 -0.93 0.50 114.28 108.69 1ija n THR 73 Ca 0.04 1.79 0.08 0.00 -2.04 0.00 0.00 64.05 63.92 1ija n THR 73 Cb 0.37 -2.87 -0.09 0.00 -1.82 0.00 0.00 70.33 65.92 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 -5.00 0.47 0.09 8.00 4.13 -1.26 -4.05 115.26 117.64 1ija n ASN 74 Ca 0.32 0.19 0.20 0.00 1.68 0.00 0.00 54.58 56.97 1ija n ASN 74 Cb 1.08 1.02 0.75 0.00 -1.54 0.00 0.00 39.78 41.09 1ija n ASN 74 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1ija h LEU 75 N 0.00 0.00 -0.60 3.41 3.38 -0.19 2.38 115.31 123.70 1ija h LEU 75 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ija h LEU 75 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ija h LEU 75 CO 0.01 0.00 0.00 0.07 0.09 0.00 0.00 178.44 178.61 1ija h LYS 76 N 0.00 0.00 0.00 1.13 2.10 -1.69 -2.41 116.57 115.70 1ija h LYS 76 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1ija h LYS 76 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1ija h LYS 76 CO -0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 179.45 177.30 1ija n ALA 77 N -2.03 2.46 -1.00 0.07 0.00 0.80 -4.83 120.51 115.97 1ija n ALA 77 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ija n ALA 77 Cb 0.41 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.77 0.00 -3.62 0.00 0.00 -0.91 -4.89 120.51 109.32 1ija n ALA 78 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 1ija n ALA 78 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.52 1.22 -0.85 0.00 0.00 -1.26 -5.03 119.74 112.30 1ija s LYS 79 Ca 0.00 -0.57 -0.21 0.00 0.00 0.00 0.00 55.97 55.19 1ija s LYS 79 Cb 0.00 0.48 -0.20 0.00 0.00 0.00 0.00 37.83 38.11 1ija s LYS 79 CO 0.00 -0.55 2.34 1.63 0.00 0.00 0.00 175.35 178.78 1ija n LYS 80 N -0.38 0.38 0.00 1.78 5.02 -1.26 -1.19 118.16 122.51 1ija n LYS 80 Ca -0.09 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 55.73 1ija n LYS 80 Cb 0.62 -2.68 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 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 6.30 0.56 3.65 0.72 0.00 0.17 -4.80 105.19 111.78 1ija n GLY 81 Ca 0.54 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 1ija n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ija s SER 82 N 0.00 6.34 1.21 1.61 1.04 -0.33 -4.41 113.70 119.16 1ija s SER 82 Ca 0.00 2.31 -0.20 0.00 0.48 0.00 0.00 55.95 58.54 1ija s SER 82 Cb 0.00 -2.53 0.29 0.00 0.10 0.00 0.00 66.02 63.89 1ija s SER 82 CO 0.00 -1.19 1.14 -0.04 0.98 0.00 0.00 173.24 174.13 1ija s MET 83 N 4.68 -1.30 -0.19 4.02 1.00 -1.26 -2.47 119.30 123.78 1ija s MET 83 Ca 0.84 -0.21 -0.04 0.00 0.00 0.00 0.00 55.69 56.29 1ija s MET 83 Cb -0.37 -1.60 0.09 0.00 0.00 0.00 0.00 34.83 32.95 1ija s MET 83 CO 0.36 -3.74 0.22 0.08 0.00 0.00 0.00 175.02 171.94 1ija s VAL 84 N -3.12 -0.33 -0.49 -6.03 1.01 -1.10 -4.69 120.40 105.65 1ija s VAL 84 Ca 0.72 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.46 1ija s VAL 84 Cb -0.07 -0.63 0.05 0.00 0.00 0.00 0.00 36.38 35.73 1ija s VAL 84 CO 0.55 -0.15 0.62 -0.31 0.00 0.00 0.00 175.10 175.82 1ija s TYR 85 N 2.33 3.05 -0.39 5.22 1.51 -0.75 -2.21 117.35 126.12 1ija s TYR 85 Ca 0.06 -0.46 -0.18 0.00 -1.01 0.00 0.00 57.07 55.48 1ija s TYR 85 Cb -0.15 -3.49 0.01 0.00 -0.11 0.00 0.00 41.96 38.22 1ija s TYR 85 CO -0.11 -1.00 0.50 0.12 -1.11 0.00 0.00 175.55 173.94 1ija s PHE 86 N 2.65 3.16 0.29 2.71 5.36 -0.88 -2.34 117.98 128.93 1ija s PHE 86 Ca 0.16 -0.07 -0.10 0.00 -0.96 0.00 0.00 56.93 55.97 1ija s PHE 86 Cb -0.18 -2.97 -0.07 0.00 -0.34 0.00 0.00 43.02 39.46 1ija s PHE 86 CO 0.13 -0.64 0.62 0.21 -1.46 0.00 0.00 175.22 174.08 1ija s LYS 87 N 2.35 3.79 -0.32 10.12 2.20 -0.20 -0.84 119.74 136.85 1ija s LYS 87 Ca 0.16 0.32 0.17 0.00 -0.36 0.00 0.00 55.97 56.27 1ija s LYS 87 Cb -0.16 -2.56 0.46 0.00 -1.51 0.00 0.00 37.83 34.06 1ija s LYS 87 CO 0.14 0.20 1.14 0.28 -0.36 0.00 0.00 175.35 176.75 1ija n VAL 88 N -0.57 0.79 0.00 4.02 0.31 0.76 -2.77 118.33 120.87 1ija n VAL 88 Ca 0.01 -2.50 0.00 0.00 -0.01 0.00 0.00 64.34 61.83 1ija n VAL 88 Cb 0.53 0.96 0.00 0.00 -0.91 0.00 0.00 33.84 34.42 1ija n VAL 88 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ija n GLY 89 N -0.50 0.23 0.41 2.92 0.00 -1.26 -3.08 105.19 103.92 1ija n GLY 89 Ca 0.03 0.58 0.23 0.00 0.00 0.00 0.00 46.02 46.85 1ija n GLY 89 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1ija h ASN 90 N 0.00 0.08 -5.27 1.61 -1.07 -2.00 -3.44 115.58 105.49 1ija h ASN 90 Ca 0.00 0.01 0.23 0.00 0.07 0.00 0.00 56.30 56.61 1ija h ASN 90 Cb 0.00 -0.01 -0.12 0.00 -2.07 0.00 0.00 38.32 36.12 1ija h ASN 90 CO 0.00 0.04 0.65 -0.70 0.07 0.00 0.00 177.43 177.49 1ija s GLU 91 N -5.08 0.75 -0.04 4.14 2.12 -1.18 -5.16 118.70 114.26 1ija s GLU 91 Ca -0.06 -0.39 0.03 0.00 0.36 0.00 0.00 54.97 54.91 1ija s GLU 91 Cb 0.21 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.88 1ija s GLU 91 CO 0.75 -0.34 -0.10 -0.08 -0.54 0.00 0.00 175.26 174.95 1ija s THR 92 N -2.85 0.88 0.64 -1.70 -1.32 -1.26 -0.17 115.64 109.86 1ija s THR 92 Ca 0.12 -0.39 0.01 0.00 -1.21 0.00 0.00 61.69 60.22 1ija s THR 92 Cb 0.01 -0.80 0.09 0.00 -1.51 0.00 0.00 72.50 70.29 1ija s THR 92 CO -0.02 0.28 0.89 -0.13 -2.21 0.00 0.00 174.62 173.43 1ija s ARG 93 N 0.32 2.05 -0.03 7.08 3.00 -0.02 -4.89 118.95 126.47 1ija s ARG 93 Ca -0.06 -1.08 -0.06 0.00 0.00 0.00 0.00 55.73 54.52 1ija s ARG 93 Cb -0.11 -2.43 0.01 0.00 0.00 0.00 0.00 34.95 32.42 1ija s ARG 93 CO 0.01 -1.12 0.15 -1.59 0.00 0.00 0.00 175.30 172.75 1ija s LYS 94 N -4.94 0.33 0.38 3.54 -2.85 -1.26 -2.07 119.74 112.88 1ija s LYS 94 Ca 0.63 -0.09 0.04 0.00 -1.00 0.00 0.00 55.97 55.55 1ija s LYS 94 Cb -0.07 0.15 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 1ija s LYS 94 CO 0.41 -0.07 0.14 0.71 0.10 0.00 0.00 175.35 176.65 1ija s TYR 95 N -0.65 1.77 -0.26 1.78 1.51 -0.94 -4.38 117.35 116.18 1ija s TYR 95 Ca -0.07 -1.31 -0.02 0.00 -1.01 0.00 0.00 57.07 54.66 1ija s TYR 95 Cb -0.04 -1.08 0.08 0.00 -0.11 0.00 0.00 41.96 40.80 1ija s TYR 95 CO 0.01 -0.36 0.07 0.21 -1.11 0.00 0.00 175.55 174.37 1ija s LYS 96 N -3.71 0.66 -0.27 -0.62 2.20 -0.84 -2.72 119.74 114.45 1ija s LYS 96 Ca 0.28 -0.75 -0.40 0.00 -0.36 0.00 0.00 55.97 54.74 1ija s LYS 96 Cb 0.03 -1.96 -0.15 0.00 -1.51 0.00 0.00 37.83 34.24 1ija s LYS 96 CO 0.16 -0.84 1.76 -1.33 -0.36 0.00 0.00 175.35 174.74 1ija n MET 97 N 4.97 1.24 -0.89 4.03 2.81 -1.03 -3.10 117.12 125.14 1ija n MET 97 Ca -0.06 0.45 -0.06 0.00 -1.81 0.00 0.00 57.70 56.23 1ija n MET 97 Cb 0.44 -2.15 -0.06 0.00 -0.71 0.00 0.00 33.22 30.74 1ija n MET 97 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1ija n THR 98 N 4.66 0.00 -3.64 2.03 -1.04 -1.24 0.42 114.28 115.48 1ija n THR 98 Ca 0.26 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.21 1ija n THR 98 Cb 0.14 0.40 -0.07 0.00 -1.82 0.00 0.00 70.33 68.98 1ija n THR 98 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ija s SER 99 N -0.80 -0.64 -0.02 8.00 0.01 -1.06 -4.98 113.70 114.21 1ija s SER 99 Ca 0.00 1.08 -0.00 0.00 1.31 0.00 0.00 55.95 58.34 1ija s SER 99 Cb 0.00 1.21 0.03 0.00 0.21 0.00 0.00 66.02 67.47 1ija s SER 99 CO 0.00 -0.18 0.03 -0.63 0.41 0.00 0.00 173.24 172.88 1ija s ILE 100 N 1.07 -0.05 -0.64 1.44 1.01 -1.26 -1.31 121.20 121.45 1ija s ILE 100 Ca -0.06 0.20 0.13 0.00 0.00 0.00 0.00 60.65 60.93 1ija s ILE 100 Cb -0.04 -0.08 0.40 0.00 0.01 0.00 0.00 42.46 42.74 1ija s ILE 100 CO -0.13 0.08 1.33 0.54 0.00 0.00 0.00 174.94 176.76 1ija n ARG 101 N 4.11 2.92 0.33 2.79 5.12 -0.97 -4.65 116.66 126.31 1ija n ARG 101 Ca -0.27 -2.38 0.03 0.00 -1.93 0.00 0.00 57.85 53.30 1ija n ARG 101 Cb 0.51 -1.51 0.14 0.00 -1.16 0.00 0.00 32.46 30.44 1ija n ARG 101 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1ija h ASP 102 N 1.99 0.00 -4.30 0.55 3.32 -1.19 -3.40 116.42 113.39 1ija h ASP 102 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1ija h ASP 102 Cb 1.03 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.71 1ija h ASP 102 CO 0.09 0.00 0.31 -0.69 -1.72 0.00 0.00 179.24 177.23 1ija s VAL 103 N -4.01 3.15 0.67 -1.35 1.01 -1.26 -4.63 120.40 113.98 1ija s VAL 103 Ca -0.01 0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.19 1ija s VAL 103 Cb 0.02 -2.82 -0.08 0.00 0.00 0.00 0.00 36.38 33.50 1ija s VAL 103 CO 0.05 -0.48 0.33 0.29 0.00 0.00 0.00 175.10 175.29 1ija n LYS 104 N -3.54 0.29 -1.12 2.72 5.02 -1.26 -4.41 118.16 115.85 1ija n LYS 104 Ca 0.10 0.12 -0.23 0.00 -2.02 0.00 0.00 58.31 56.28 1ija n LYS 104 Cb 0.53 -1.61 -0.14 0.00 -0.02 0.00 0.00 35.03 33.78 1ija n LYS 104 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1ija n PRO 105 N 0.01 0.00 0.17 1.97 -0.02 -1.26 -4.72 135.00 131.14 1ija n PRO 105 Ca 0.09 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.60 1ija n PRO 105 Cb 0.49 -0.92 0.28 0.00 -0.02 0.00 0.00 33.50 33.33 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 5.56 1.13 -3.74 3.45 1.35 -1.87 -3.44 112.91 115.34 1ija h THR 106 Ca -0.00 -1.73 -0.23 0.00 -0.55 0.00 0.00 66.41 63.90 1ija h THR 106 Cb 0.90 1.99 -0.28 0.00 -1.73 0.00 0.00 68.15 69.04 1ija h THR 106 CO 1.13 0.46 -0.72 -0.62 -0.25 0.00 0.00 175.52 175.52 1ija s ASP 107 N -6.63 0.02 0.00 5.36 2.15 -1.26 -5.00 116.67 111.30 1ija s ASP 107 Ca -0.01 -0.02 -0.01 0.00 0.43 0.00 0.00 52.55 52.95 1ija s ASP 107 Cb 0.12 0.00 -0.04 0.00 -0.30 0.00 0.00 42.92 42.71 1ija s ASP 107 CO 0.72 -0.01 1.11 1.33 -0.17 0.00 0.00 175.17 178.15 1ija n VAL 108 N 3.02 0.93 -2.84 1.11 0.24 -1.26 -3.69 118.33 115.85 1ija n VAL 108 Ca -0.12 -0.33 -0.11 0.00 -2.04 0.00 0.00 64.34 61.73 1ija n VAL 108 Cb 0.60 -1.36 0.04 0.00 -1.47 0.00 0.00 33.84 31.64 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 2.13 1.97 0.29 7.63 0.00 -1.26 -4.90 105.19 111.05 1ija n GLY 109 Ca 0.06 -1.00 0.19 0.00 0.00 0.00 0.00 46.02 45.26 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 2.22 0.00 -1.99 1.61 -1.51 -2.01 -3.18 116.25 111.38 1ija h VAL 110 Ca -0.07 -0.31 -0.48 0.00 -1.23 0.00 0.00 66.70 64.61 1ija h VAL 110 Cb 1.13 1.28 -0.40 0.00 -2.13 0.00 0.00 31.29 31.17 1ija h VAL 110 CO 0.34 0.00 -1.19 0.18 -1.23 0.00 0.00 177.57 175.67 1ija n LEU 111 N -3.01 0.93 0.00 4.19 4.77 -1.26 -5.05 117.00 117.57 1ija n LEU 111 Ca -0.01 -5.00 0.00 0.00 -0.03 0.00 0.00 56.01 50.97 1ija n LEU 111 Cb 0.21 0.68 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1ija n LEU 111 CO 0.24 2.28 0.00 -0.90 -1.33 0.00 0.00 177.39 177.68 1ija n ASP 112 N 0.26 0.00 -0.25 -1.43 5.75 -1.21 -5.07 116.55 114.60 1ija n ASP 112 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 1ija n ASP 112 Cb 0.66 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 1ija n ASP 112 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1ija n GLU 113 N 0.00 0.00 -0.42 0.11 0.28 -1.26 -4.77 120.64 114.57 1ija n GLU 113 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ija n GLU 113 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ija n GLU 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ija n GLN 114 N 0.00 0.00 -1.78 3.44 0.00 -1.26 -4.68 117.38 113.10 1ija n GLN 114 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 57.00 56.40 1ija n GLN 114 Cb 0.40 -0.16 0.07 0.00 0.00 0.00 0.00 30.24 30.55 1ija n GLN 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1ija s LYS 115 N 0.00 2.31 6.48 2.61 1.02 -1.26 -4.64 119.74 126.26 1ija s LYS 115 Ca 0.00 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.39 1ija s LYS 115 Cb 0.00 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1ija s LYS 115 CO 0.00 -1.41 0.00 0.41 -0.92 0.00 0.00 175.35 173.43 1ija n GLY 116 N -2.81 1.89 2.09 -3.33 0.00 -1.26 -4.55 105.19 97.23 1ija n GLY 116 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 3.04 0.00 -4.53 1.61 5.02 -1.26 -5.15 118.16 116.89 1ija n LYS 117 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1ija n LYS 117 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1ija n LYS 117 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ija s ASP 118 N -2.29 3.97 0.14 4.39 1.01 -1.26 -5.07 116.67 117.56 1ija s ASP 118 Ca 0.00 -1.31 -0.31 0.00 0.71 0.00 0.00 52.55 51.64 1ija s ASP 118 Cb 0.00 -0.41 -0.18 0.00 1.01 0.00 0.00 42.92 43.34 1ija s ASP 118 CO 0.00 -0.46 0.66 1.17 0.21 0.00 0.00 175.17 176.75 1ija n LYS 119 N -1.01 0.00 -3.88 8.23 4.81 -1.26 -4.60 118.16 120.45 1ija n LYS 119 Ca -0.04 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.30 1ija n LYS 119 Cb 0.66 -1.12 -0.09 0.00 0.02 0.00 0.00 35.03 34.51 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 -0.71 0.68 -0.31 1.64 0.00 -1.11 -1.44 119.66 118.41 1ija s GLN 120 Ca 0.70 -0.72 -0.10 0.00 -0.00 0.00 0.00 55.36 55.24 1ija s GLN 120 Cb -1.01 0.28 -0.01 0.00 0.00 0.00 0.00 33.01 32.27 1ija s GLN 120 CO 0.55 -0.19 0.16 -0.51 0.00 0.00 0.00 175.29 175.30 1ija s LEU 121 N -2.22 4.12 -0.97 2.60 1.43 -1.11 -2.90 118.68 119.63 1ija s LEU 121 Ca -0.03 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.43 1ija s LEU 121 Cb -0.00 -2.01 0.18 0.00 0.03 0.00 0.00 46.19 44.39 1ija s LEU 121 CO -0.05 -0.19 1.07 -0.89 0.23 0.00 0.00 176.35 176.53 1ija s THR 122 N 1.63 5.21 0.60 5.49 2.01 0.50 -2.88 115.64 128.19 1ija s THR 122 Ca 0.05 -2.26 -0.16 0.00 0.31 0.00 0.00 61.69 59.63 1ija s THR 122 Cb -0.17 -4.69 -0.04 0.00 0.01 0.00 0.00 72.50 67.62 1ija s THR 122 CO 0.07 -1.35 1.06 -0.76 -0.69 0.00 0.00 174.62 172.95 1ija s LEU 123 N 1.24 3.49 0.00 4.42 1.02 -0.58 -2.46 118.68 125.82 1ija s LEU 123 Ca 0.30 1.81 -0.00 0.00 0.02 0.00 0.00 54.13 56.26 1ija s LEU 123 Cb -0.07 -4.53 -0.00 0.00 0.02 0.00 0.00 46.19 41.61 1ija s LEU 123 CO -0.07 -1.17 -0.00 -0.63 0.02 0.00 0.00 176.35 174.49 1ija s ILE 124 N -2.46 0.01 0.39 -0.59 1.01 -0.15 -2.86 121.20 116.55 1ija s ILE 124 Ca 0.63 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 61.20 1ija s ILE 124 Cb -0.16 -0.04 -0.02 0.00 0.01 0.00 0.00 42.46 42.26 1ija s ILE 124 CO 0.37 -0.05 0.59 0.42 0.00 0.00 0.00 174.94 176.28 1ija s THR 125 N -0.14 4.59 -0.10 2.92 -4.23 -1.18 -1.11 115.64 116.39 1ija s THR 125 Ca -0.02 -0.51 -0.08 0.00 -1.18 0.00 0.00 61.69 59.91 1ija s THR 125 Cb -0.01 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.18 1ija s THR 125 CO -0.00 -0.45 0.25 0.00 -0.54 0.00 0.00 174.62 173.88 1ija s ASP 127 N 0.46 -0.29 -0.77 0.00 2.15 -1.26 -2.73 116.67 114.23 1ija s ASP 127 Ca -0.03 0.50 -0.00 0.00 0.43 0.00 0.00 52.55 53.45 1ija s ASP 127 Cb -0.04 0.86 -0.00 0.00 -0.30 0.00 0.00 42.92 43.44 1ija s ASP 127 CO -0.02 -0.08 0.68 0.47 -0.17 0.00 0.00 175.17 176.05 1ija n ASP 128 N 2.80 -7.03 -4.67 -0.34 8.00 -1.26 -3.52 116.55 110.53 1ija n ASP 128 Ca -0.15 -0.32 -0.42 0.00 0.71 0.00 0.00 54.79 54.61 1ija n ASP 128 Cb 0.57 -4.40 -0.03 0.00 -0.02 0.00 0.00 41.12 37.24 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 -3.01 1.81 -0.20 1.24 6.14 -1.26 -2.75 117.35 119.31 1ija s TYR 129 Ca 0.02 -0.11 -0.25 0.00 0.64 0.00 0.00 57.07 57.37 1ija s TYR 129 Cb -0.00 -4.12 -0.01 0.00 0.42 0.00 0.00 41.96 38.24 1ija s TYR 129 CO 0.79 -4.81 0.81 1.21 0.64 0.00 0.00 175.55 174.19 1ija s ASN 130 N 3.48 6.89 0.00 4.32 2.47 -0.86 -4.80 114.94 126.45 1ija s ASN 130 Ca 0.81 1.10 0.16 0.00 0.42 0.00 0.00 52.86 55.36 1ija s ASN 130 Cb -0.41 -2.44 0.69 0.00 -1.45 0.00 0.00 41.25 37.64 1ija s ASN 130 CO 0.37 -0.43 1.48 -1.84 -3.72 0.00 0.00 177.10 172.96 1ija n GLU 131 N 5.47 1.47 -0.05 0.43 0.28 -1.26 -2.60 120.64 124.39 1ija n GLU 131 Ca 0.04 -0.72 -0.03 0.00 -0.16 0.00 0.00 57.16 56.30 1ija n GLU 131 Cb 0.48 -1.30 -0.03 0.00 1.43 0.00 0.00 31.44 32.02 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 1.36 -0.00 -0.01 3.44 1.57 -1.93 -3.36 116.57 117.63 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 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1ija h LYS 132 CO 0.00 0.21 -0.35 0.25 -0.57 0.00 0.00 179.45 178.99 1ija n THR 133 N -4.75 0.00 -2.85 -0.16 -2.24 -1.26 -4.96 114.28 98.06 1ija n THR 133 Ca -0.02 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 1ija n THR 133 Cb 0.10 0.97 0.05 0.00 -2.10 0.00 0.00 70.33 69.35 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 1.38 0.07 3.18 3.38 0.00 -1.07 -5.04 105.19 107.09 1ija n GLY 134 Ca 0.11 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.18 0.11 -0.21 1.61 1.01 -1.11 -5.03 120.40 113.60 1ija s VAL 135 Ca 0.10 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 1ija s VAL 135 Cb -0.04 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1ija s VAL 135 CO 0.38 -0.51 2.01 0.26 0.00 0.00 0.00 175.10 177.24 1ija s TRP 136 N -2.72 1.45 0.00 5.22 0.52 -1.26 -2.03 118.94 120.11 1ija s TRP 136 Ca -0.04 0.41 0.00 0.00 0.02 0.00 0.00 56.10 56.49 1ija s TRP 136 Cb -0.00 -4.02 0.00 0.00 -1.15 0.00 0.00 33.47 28.29 1ija s TRP 136 CO -0.05 -3.91 0.36 -1.91 0.02 0.00 0.00 176.95 171.47 1ija n GLU 137 N 8.36 0.00 -2.54 4.98 2.13 -1.11 -3.96 120.64 128.51 1ija n GLU 137 Ca 0.25 0.36 -0.43 0.00 0.66 0.00 0.00 57.16 58.01 1ija n GLU 137 Cb 0.45 -0.84 -0.02 0.00 0.27 0.00 0.00 31.44 31.30 1ija n GLU 137 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ija s LYS 138 N -0.76 4.26 -0.02 5.31 1.02 -1.23 -5.00 119.74 123.33 1ija s LYS 138 Ca 0.00 1.53 0.02 0.00 0.02 0.00 0.00 55.97 57.53 1ija s LYS 138 Cb 0.00 -3.69 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 1ija s LYS 138 CO 0.00 -0.64 -0.06 0.50 -0.92 0.00 0.00 175.35 174.24 1ija s ARG 139 N 3.21 0.59 -0.02 1.68 3.52 -1.25 -4.11 118.95 122.56 1ija s ARG 139 Ca 0.50 -0.19 -0.00 0.00 -0.13 0.00 0.00 55.73 55.91 1ija s ARG 139 Cb -0.19 -0.58 0.02 0.00 -1.56 0.00 0.00 34.95 32.63 1ija s ARG 139 CO 0.12 0.08 0.03 0.15 -0.81 0.00 0.00 175.30 174.87 1ija s LYS 140 N 0.15 -0.00 -0.21 5.12 1.02 -1.26 -4.99 119.74 119.56 1ija s LYS 140 Ca -0.02 0.13 -0.11 0.00 0.02 0.00 0.00 55.97 56.00 1ija s LYS 140 Cb -0.06 -0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.07 1ija s LYS 140 CO -0.00 -0.10 0.17 0.42 -0.92 0.00 0.00 175.35 174.92 1ija s ILE 141 N 0.62 5.37 0.12 2.17 -1.09 -1.26 -3.13 121.20 124.00 1ija s ILE 141 Ca -0.05 0.24 0.06 0.00 -2.23 0.00 0.00 60.65 58.67 1ija s ILE 141 Cb -0.07 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1ija s ILE 141 CO -0.02 0.39 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.58 1ija s PHE 142 N 0.71 1.34 -0.05 3.97 0.40 -1.13 -0.56 117.98 122.66 1ija s PHE 142 Ca 0.09 -0.57 -0.30 0.00 -0.60 0.00 0.00 56.93 55.56 1ija s PHE 142 Cb -0.12 -0.71 0.08 0.00 0.51 0.00 0.00 43.02 42.78 1ija s PHE 142 CO 0.02 0.12 0.74 0.54 0.70 0.00 0.00 175.22 177.33 1ija s VAL 143 N -2.14 0.00 0.41 -0.44 0.11 -0.43 -1.53 120.40 116.38 1ija s VAL 143 Ca 0.08 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.16 1ija s VAL 143 Cb -0.05 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 1ija s VAL 143 CO 0.03 0.00 0.09 0.00 -3.33 0.00 0.00 175.10 171.88 1ija s ALA 144 N -1.49 3.02 0.01 1.54 0.00 -1.14 -2.55 121.76 121.14 1ija s ALA 144 Ca -0.08 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.58 1ija s ALA 144 Cb -0.00 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 1ija s ALA 144 CO 0.06 -0.27 -0.03 -0.08 0.00 0.00 0.00 175.76 175.44 1ija s THR 145 N -3.15 0.22 0.33 0.00 -1.32 -1.18 -2.75 115.64 107.78 1ija s THR 145 Ca 0.24 -0.31 -0.29 0.00 -1.21 0.00 0.00 61.69 60.11 1ija s THR 145 Cb 0.04 -0.23 -0.11 0.00 -1.51 0.00 0.00 72.50 70.69 1ija s THR 145 CO 0.13 -0.07 1.54 -0.70 -2.21 0.00 0.00 174.62 173.31 1ija s GLU 146 N -0.40 4.12 0.70 7.08 2.56 -0.52 -1.98 118.70 130.26 1ija s GLU 146 Ca -0.02 2.56 -0.01 0.00 0.00 0.00 0.00 54.97 57.50 1ija s GLU 146 Cb -0.03 -3.00 0.11 0.00 2.00 0.00 0.00 34.13 33.21 1ija s GLU 146 CO -0.00 -0.58 0.97 0.14 -0.56 0.00 0.00 175.26 175.23 1ija s VAL 147 N -0.47 2.20 -2.00 3.70 -7.23 -1.26 -4.91 120.40 110.43 1ija s VAL 147 Ca 0.59 -0.58 0.13 0.00 -1.81 0.00 0.00 61.98 60.31 1ija s VAL 147 Cb -0.47 -2.62 0.37 0.00 0.56 0.00 0.00 36.38 34.22 1ija s VAL 147 CO 0.54 0.00 1.20 0.29 -0.31 0.00 0.00 175.10 176.82