#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 0.77 0.42 3.17 0.00 -1.26 -5.16 119.66 117.60 1ija s GLN 2 Ca 0.00 0.26 -0.05 0.00 -0.00 0.00 0.00 55.36 55.57 1ija s GLN 2 Cb 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 33.01 33.33 1ija s GLN 2 CO 0.00 -0.19 0.72 0.00 0.00 0.00 0.00 175.29 175.81 1ija s ALA 3 N -0.75 3.47 0.61 2.60 0.00 -1.26 -5.06 121.76 121.37 1ija s ALA 3 Ca -0.08 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 1ija s ALA 3 Cb -0.03 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1ija s ALA 3 CO 0.05 -0.16 1.10 -1.59 0.00 0.00 0.00 175.76 175.16 1ija s LYS 4 N -4.36 3.11 0.00 0.00 -2.85 -1.26 -5.02 119.74 109.36 1ija s LYS 4 Ca 0.46 1.40 0.00 0.00 -1.00 0.00 0.00 55.97 56.83 1ija s LYS 4 Cb -0.10 -1.99 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 1ija s LYS 4 CO 0.39 -1.00 0.00 -2.30 0.10 0.00 0.00 175.35 172.54 1ija n PRO 5 N -1.97 0.00 -3.57 1.78 -0.02 -1.26 -4.95 135.00 125.01 1ija n PRO 5 Ca 0.10 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.45 1ija n PRO 5 Cb 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.88 1ija n PRO 5 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ija s GLN 6 N 0.00 0.21 -0.37 -0.52 -0.21 -1.26 -5.11 119.66 112.39 1ija s GLN 6 Ca 0.00 0.62 -0.25 0.00 0.02 0.00 0.00 55.36 55.75 1ija s GLN 6 Cb 0.00 -0.34 0.01 0.00 1.00 0.00 0.00 33.01 33.69 1ija s GLN 6 CO 0.00 -0.43 0.88 0.42 -2.12 0.00 0.00 175.29 174.04 1ija s ILE 7 N 2.44 4.63 0.54 1.08 -1.09 -1.26 -5.00 121.20 122.54 1ija s ILE 7 Ca 0.04 1.05 -0.18 0.00 -2.23 0.00 0.00 60.65 59.33 1ija s ILE 7 Cb -0.13 -4.30 -0.13 0.00 -1.58 0.00 0.00 42.46 36.31 1ija s ILE 7 CO -0.11 -0.53 0.01 -2.65 -1.23 0.00 0.00 174.94 170.43 1ija n PRO 8 N 6.68 0.12 -0.00 2.79 -0.02 -1.26 -4.90 135.00 138.41 1ija n PRO 8 Ca 0.06 0.05 0.09 0.00 -2.02 0.00 0.00 63.50 61.67 1ija n PRO 8 Cb 0.48 -1.18 -0.11 0.00 -0.02 0.00 0.00 33.50 32.67 1ija n PRO 8 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ija n LYS 9 N 1.14 0.71 -2.42 -0.52 5.02 -1.26 -4.57 118.16 116.25 1ija n LYS 9 Ca 0.08 -0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 1ija n LYS 9 Cb 0.48 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 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 -3.02 6.07 0.20 4.39 2.15 -1.26 -4.81 116.67 120.40 1ija s ASP 10 Ca 0.05 0.04 0.11 0.00 0.43 0.00 0.00 52.55 53.18 1ija s ASP 10 Cb 0.14 -2.55 0.61 0.00 -0.30 0.00 0.00 42.92 40.82 1ija s ASP 10 CO 0.79 -1.80 1.28 0.29 -0.17 0.00 0.00 175.17 175.55 1ija n LYS 11 N 8.93 0.07 -1.15 4.34 4.01 -1.26 -0.21 118.16 132.89 1ija n LYS 11 Ca 0.10 0.53 -0.23 0.00 -0.51 0.00 0.00 58.31 58.20 1ija n LYS 11 Cb 0.49 -1.86 0.16 0.00 -0.51 0.00 0.00 35.03 33.32 1ija n LYS 11 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1ija n SER 12 N -1.88 4.01 -3.77 4.39 2.88 -1.26 -4.76 113.62 113.22 1ija n SER 12 Ca -0.01 -3.50 -0.13 0.00 -1.33 0.00 0.00 58.87 53.90 1ija n SER 12 Cb 0.13 -0.83 -0.11 0.00 -0.75 0.00 0.00 64.21 62.65 1ija n SER 12 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1ija s LYS 13 N -3.09 0.37 1.01 -1.46 2.20 0.71 -5.15 119.74 114.33 1ija s LYS 13 Ca 0.53 0.39 -0.11 0.00 -0.36 0.00 0.00 55.97 56.42 1ija s LYS 13 Cb 0.45 0.18 0.20 0.00 -1.51 0.00 0.00 37.83 37.14 1ija s LYS 13 CO 0.09 -0.05 1.10 0.08 -0.36 0.00 0.00 175.35 176.22 1ija s VAL 14 N 0.08 2.06 0.00 4.02 1.01 -1.26 -4.30 120.40 122.01 1ija s VAL 14 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1ija s VAL 14 Cb -0.02 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1ija s VAL 14 CO 0.01 -0.02 0.02 0.00 0.00 0.00 0.00 175.10 175.10 1ija n ALA 15 N -4.49 0.17 0.00 5.51 0.00 0.40 -4.76 120.51 117.34 1ija n ALA 15 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1ija n ALA 15 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.03 -1.30 3.16 0.00 0.00 -1.25 -4.68 105.19 101.15 1ija n GLY 16 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.48 -0.61 -0.02 1.61 1.51 0.36 -2.69 117.35 115.01 1ija s TYR 17 Ca 0.00 1.26 -0.06 0.00 -1.01 0.00 0.00 57.07 57.26 1ija s TYR 17 Cb 0.00 0.16 -0.04 0.00 -0.11 0.00 0.00 41.96 41.96 1ija s TYR 17 CO 0.00 -0.41 0.22 -1.50 -1.11 0.00 0.00 175.55 172.75 1ija s ILE 18 N 2.36 5.38 -0.10 2.71 2.07 -0.73 -0.88 121.20 132.01 1ija s ILE 18 Ca -0.02 0.10 -0.07 0.00 -1.41 0.00 0.00 60.65 59.25 1ija s ILE 18 Cb -0.12 -3.53 0.03 0.00 0.13 0.00 0.00 42.46 38.98 1ija s ILE 18 CO -0.11 0.41 0.25 -1.61 -1.91 0.00 0.00 174.94 171.98 1ija s GLU 19 N -1.64 0.26 -0.09 3.50 2.02 -0.98 -2.51 118.70 119.26 1ija s GLU 19 Ca 0.25 0.42 -0.04 0.00 0.02 0.00 0.00 54.97 55.62 1ija s GLU 19 Cb -0.13 0.04 0.05 0.00 0.10 0.00 0.00 34.13 34.19 1ija s GLU 19 CO 0.14 -0.09 0.20 0.42 0.02 0.00 0.00 175.26 175.95 1ija s ILE 20 N 0.58 -0.19 0.03 -1.63 1.01 -0.91 -2.00 121.20 118.09 1ija s ILE 20 Ca -0.04 0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.68 1ija s ILE 20 Cb -0.05 -0.33 -0.24 0.00 0.01 0.00 0.00 42.46 41.84 1ija s ILE 20 CO -0.03 0.10 1.12 1.55 0.00 0.00 0.00 174.94 177.67 1ija h PRO 21 N 7.78 0.52 0.00 2.79 0.13 -1.88 1.03 132.00 142.36 1ija h PRO 21 Ca -0.28 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 1ija h PRO 21 Cb 1.13 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ija h PRO 21 CO 0.27 1.21 0.40 -0.44 -0.23 0.00 0.00 178.00 179.21 1ija h ASP 22 N 0.07 0.00 0.00 1.44 5.19 -1.97 0.26 116.42 121.41 1ija h ASP 22 Ca -0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1ija h ASP 22 Cb 1.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.02 1ija h ASP 22 CO 0.16 0.00 -0.15 0.00 -3.12 0.00 0.00 179.24 176.13 1ija n ALA 23 N -1.66 1.64 -4.15 3.45 0.00 -1.17 -4.22 120.51 114.40 1ija n ALA 23 Ca -0.01 -1.02 -0.29 0.00 0.00 0.00 0.00 53.44 52.12 1ija n ALA 23 Cb 0.43 -0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.28 0.27 -4.85 0.00 5.75 0.91 -4.65 116.55 113.71 1ija n ASP 24 Ca 0.02 -1.16 -0.36 0.00 -0.01 0.00 0.00 54.79 53.28 1ija n ASP 24 Cb 0.53 -2.25 -0.06 0.00 -1.03 0.00 0.00 41.12 38.31 1ija n ASP 24 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ija s ILE 25 N -4.18 5.00 -0.41 2.12 -1.09 0.33 -4.90 121.20 118.06 1ija s ILE 25 Ca 0.01 0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 59.15 1ija s ILE 25 Cb -0.01 -3.71 0.20 0.00 -1.58 0.00 0.00 42.46 37.37 1ija s ILE 25 CO 0.95 0.41 0.93 -1.59 -1.23 0.00 0.00 174.94 174.40 1ija s LYS 26 N -1.55 0.58 0.05 2.79 -2.85 -1.25 -2.14 119.74 115.38 1ija s LYS 26 Ca 0.30 -0.53 -0.03 0.00 -1.00 0.00 0.00 55.97 54.71 1ija s LYS 26 Cb -0.16 -0.02 -0.03 0.00 -2.06 0.00 0.00 37.83 35.57 1ija s LYS 26 CO 0.17 -0.72 0.03 -1.21 0.10 0.00 0.00 175.35 173.72 1ija s GLU 27 N 1.06 0.63 0.69 1.78 0.41 -1.04 -5.01 118.70 117.22 1ija s GLU 27 Ca 0.25 -1.05 -0.06 0.00 -0.41 0.00 0.00 54.97 53.70 1ija s GLU 27 Cb 0.06 0.23 0.06 0.00 -1.78 0.00 0.00 34.13 32.70 1ija s GLU 27 CO -0.09 -0.14 0.99 -1.25 -0.49 0.00 0.00 175.26 174.28 1ija s PRO 28 N -3.53 2.26 -0.03 0.39 0.04 -1.26 -1.77 135.00 131.11 1ija s PRO 28 Ca 0.03 -0.28 0.04 0.00 0.04 0.00 0.00 61.00 60.82 1ija s PRO 28 Cb 0.05 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ija s PRO 28 CO -0.09 -1.17 -0.13 0.14 0.04 0.00 0.00 177.00 175.79 1ija s VAL 29 N -3.20 1.06 0.20 -0.36 -7.23 -1.10 -3.96 120.40 105.82 1ija s VAL 29 Ca 0.60 -0.54 -0.08 0.00 -1.81 0.00 0.00 61.98 60.15 1ija s VAL 29 Cb -0.11 -0.91 -0.07 0.00 0.56 0.00 0.00 36.38 35.85 1ija s VAL 29 CO 0.44 0.31 0.49 -0.31 -0.31 0.00 0.00 175.10 175.72 1ija s TYR 30 N -0.03 3.45 -1.30 2.82 2.02 -0.85 -0.45 117.35 123.00 1ija s TYR 30 Ca -0.00 0.77 -0.17 0.00 -0.37 0.00 0.00 57.07 57.30 1ija s TYR 30 Cb -0.08 -2.18 0.08 0.00 -0.40 0.00 0.00 41.96 39.39 1ija s TYR 30 CO 0.01 0.33 1.73 -0.35 -1.57 0.00 0.00 175.55 175.69 1ija n PRO 31 N -0.03 3.21 -3.84 -1.71 -0.04 -1.26 -3.08 135.00 128.25 1ija n PRO 31 Ca -0.01 -3.33 -0.06 0.00 -0.04 0.00 0.00 63.50 60.07 1ija n PRO 31 Cb 0.52 -3.42 0.02 0.00 -0.04 0.00 0.00 33.50 30.58 1ija n PRO 31 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ija s GLY 32 N 3.94 0.19 -0.19 0.55 0.00 -1.26 -4.59 107.32 105.96 1ija s GLY 32 Ca 0.52 -0.49 -0.29 0.00 0.00 0.00 0.00 44.72 44.46 1ija s GLY 32 CO 0.06 0.79 1.04 2.56 0.00 0.00 0.00 173.10 177.55 1ija s PRO 33 N -2.44 4.31 -0.78 2.90 0.04 -1.26 -3.47 135.00 134.29 1ija s PRO 33 Ca 0.17 1.38 -0.08 0.00 0.04 0.00 0.00 61.00 62.51 1ija s PRO 33 Cb -0.04 -3.61 -0.26 0.00 0.04 0.00 0.00 34.50 30.63 1ija s PRO 33 CO 0.08 -0.54 1.91 0.00 0.04 0.00 0.00 177.00 178.49 1ija n ALA 34 N 5.93 0.97 -2.45 8.56 0.00 -0.37 -4.85 120.51 128.30 1ija n ALA 34 Ca 0.11 -0.89 -0.23 0.00 0.00 0.00 0.00 53.44 52.43 1ija n ALA 34 Cb 0.47 -2.03 -0.06 0.00 0.00 0.00 0.00 19.45 17.83 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 0.66 2.76 -0.01 0.00 -4.23 -1.26 -5.00 115.64 108.56 1ija s THR 35 Ca 1.02 -1.64 -0.21 0.00 -1.18 0.00 0.00 61.69 59.68 1ija s THR 35 Cb -0.64 -2.99 -0.23 0.00 1.34 0.00 0.00 72.50 69.99 1ija s THR 35 CO 0.43 -0.10 1.09 -0.65 -0.54 0.00 0.00 174.62 174.85 1ija h PRO 36 N 1.43 0.34 0.00 3.99 0.11 -1.98 -1.84 132.00 134.04 1ija h PRO 36 Ca -0.43 -0.35 0.00 0.00 0.11 0.00 0.00 66.00 65.33 1ija h PRO 36 Cb 1.25 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1ija h PRO 36 CO 0.64 1.03 0.00 1.05 -0.21 0.00 0.00 178.00 180.51 1ija h GLU 37 N -0.22 0.00 0.00 1.05 -0.00 -1.98 -2.31 114.58 111.12 1ija h GLU 37 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.30 1ija h GLU 37 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 1ija h GLU 37 CO 0.09 0.00 -0.05 0.94 -0.00 0.00 0.00 179.01 179.99 1ija n GLN 38 N -2.61 0.03 -0.14 1.06 0.00 -1.20 -4.35 117.38 110.17 1ija n GLN 38 Ca -0.01 0.09 0.25 0.00 -0.00 0.00 0.00 57.00 57.33 1ija n GLN 38 Cb 0.10 -0.64 0.43 0.00 0.00 0.00 0.00 30.24 30.14 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 -0.06 0.00 -2.04 1.69 3.38 -1.38 2.31 115.31 119.20 1ija h LEU 39 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ija h LEU 39 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ija h LEU 39 CO 0.00 0.00 -0.09 0.78 0.09 0.00 0.00 178.44 179.22 1ija h ASN 40 N 0.00 0.00 1.13 -0.43 2.35 -1.61 0.11 115.58 117.13 1ija h ASN 40 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1ija h ASN 40 Cb 2.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.05 1ija h ASN 40 CO -0.00 0.09 -0.33 0.54 -1.65 0.00 0.00 177.43 176.08 1ija n ARG 41 N -3.72 0.26 0.00 0.81 1.74 0.78 -5.02 116.66 111.51 1ija n ARG 41 Ca -0.02 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1ija n ARG 41 Cb 0.20 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 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 1.33 -0.30 3.88 -0.13 0.00 0.39 -5.12 105.19 105.23 1ija n GLY 42 Ca 0.04 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 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 4.86 -0.11 1.61 1.01 -1.25 -4.27 120.40 118.25 1ija s VAL 43 Ca 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 1ija s VAL 43 Cb 0.00 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1ija s VAL 43 CO 0.00 -0.32 0.31 -0.55 0.00 0.00 0.00 175.10 174.55 1ija s SER 44 N -2.83 -0.31 0.99 3.32 0.15 -1.05 -2.02 113.70 111.95 1ija s SER 44 Ca 0.49 0.58 -0.12 0.00 0.70 0.00 0.00 55.95 57.60 1ija s SER 44 Cb -0.11 0.61 0.13 0.00 -1.71 0.00 0.00 66.02 64.94 1ija s SER 44 CO 0.26 -0.14 0.74 0.49 1.20 0.00 0.00 173.24 175.79 1ija n PHE 45 N 2.74 -0.51 0.97 3.44 3.72 -1.18 -2.28 117.46 124.36 1ija n PHE 45 Ca -0.14 0.23 0.14 0.00 -0.05 0.00 0.00 57.45 57.63 1ija n PHE 45 Cb 0.58 -1.83 0.60 0.00 -0.94 0.00 0.00 39.48 37.88 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 -4.16 2.29 -3.12 4.37 0.00 0.16 -1.23 120.51 118.81 1ija n ALA 46 Ca 0.08 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 1ija n ALA 46 Cb 0.54 -1.45 -0.10 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 -3.00 0.49 0.18 0.00 0.41 -1.26 -3.71 118.70 111.83 1ija s GLU 47 Ca 0.14 -0.35 -0.11 0.00 -0.41 0.00 0.00 54.97 54.24 1ija s GLU 47 Cb 0.18 0.21 0.10 0.00 -1.78 0.00 0.00 34.13 32.84 1ija s GLU 47 CO 0.51 -0.12 1.74 1.05 -0.49 0.00 0.00 175.26 177.95 1ija h GLU 48 N 4.29 0.98 -0.70 1.61 4.11 -1.87 -2.73 114.58 120.27 1ija h GLU 48 Ca -0.30 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1ija h GLU 48 Cb 1.19 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1ija h GLU 48 CO 0.40 0.83 0.00 0.27 0.07 0.00 0.00 179.01 180.58 1ija n ASN 49 N -4.40 3.01 -4.55 3.06 0.23 -1.26 -4.37 115.26 106.97 1ija n ASN 49 Ca 0.04 -2.35 -0.28 0.00 -0.53 0.00 0.00 54.58 51.46 1ija n ASN 49 Cb 0.18 -0.52 -0.04 0.00 -2.08 0.00 0.00 39.78 37.32 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1ija s GLU 50 N -1.78 2.08 0.68 -3.83 2.56 -1.03 -4.93 118.70 112.45 1ija s GLU 50 Ca 0.26 0.79 -0.03 0.00 0.00 0.00 0.00 54.97 56.00 1ija s GLU 50 Cb 0.19 -4.67 0.09 0.00 2.00 0.00 0.00 34.13 31.73 1ija s GLU 50 CO 0.10 -3.57 0.96 -1.12 -0.56 0.00 0.00 175.26 171.06 1ija s SER 51 N 10.65 4.67 0.00 -1.70 0.01 -1.26 -4.96 113.70 121.11 1ija s SER 51 Ca 0.88 0.01 0.31 0.00 1.31 0.00 0.00 55.95 58.45 1ija s SER 51 Cb -0.14 -0.59 1.68 0.00 0.21 0.00 0.00 66.02 67.18 1ija s SER 51 CO 0.16 -1.63 2.10 0.00 0.41 0.00 0.00 173.24 174.28 1ija n LEU 52 N -2.77 0.37 -0.00 2.44 -0.00 -1.26 -3.09 117.00 112.68 1ija n LEU 52 Ca 0.11 -0.12 0.09 0.00 -0.00 0.00 0.00 56.01 56.09 1ija n LEU 52 Cb 0.60 -0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.91 1ija n LEU 52 CO 0.46 0.06 -0.09 0.47 -0.00 0.00 0.00 177.39 178.29 1ija n ASP 53 N -0.71 0.88 -4.62 1.45 9.92 -1.26 -4.92 116.55 117.30 1ija n ASP 53 Ca 0.23 -0.89 -0.43 0.00 -0.53 0.00 0.00 54.79 53.17 1ija n ASP 53 Cb 0.17 1.06 -0.03 0.00 -0.64 0.00 0.00 41.12 41.68 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 -1.50 3.52 0.16 -2.24 2.03 -1.18 -4.73 116.55 112.61 1ija n ASP 54 Ca 0.03 0.44 0.04 0.00 0.52 0.00 0.00 54.79 55.82 1ija n ASP 54 Cb 0.31 -1.54 0.20 0.00 -0.72 0.00 0.00 41.12 39.37 1ija n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ija n GLN 55 N 8.32 0.06 -3.67 -0.67 10.64 -1.26 -3.18 117.38 127.61 1ija n GLN 55 Ca 0.27 0.51 -0.30 0.00 -1.83 0.00 0.00 57.00 55.66 1ija n GLN 55 Cb 0.43 -2.16 -0.14 0.00 -0.86 0.00 0.00 30.24 27.50 1ija n GLN 55 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1ija s ASN 56 N -2.99 3.79 -0.33 2.61 -0.87 -1.26 -2.73 114.94 113.15 1ija s ASN 56 Ca -0.01 -1.82 -0.17 0.00 -1.57 0.00 0.00 52.86 49.29 1ija s ASN 56 Cb 0.02 -0.78 -0.01 0.00 -0.02 0.00 0.00 41.25 40.47 1ija s ASN 56 CO 0.07 -0.38 0.48 -0.63 -2.57 0.00 0.00 177.10 174.06 1ija s ILE 57 N 1.41 5.06 -0.27 0.60 1.01 -1.17 -4.99 121.20 122.84 1ija s ILE 57 Ca 0.12 0.36 -0.06 0.00 0.00 0.00 0.00 60.65 61.07 1ija s ILE 57 Cb -0.19 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.37 1ija s ILE 57 CO -0.20 -0.14 0.06 -0.55 0.00 0.00 0.00 174.94 174.11 1ija s SER 58 N 1.73 4.98 0.33 3.58 0.15 -1.26 -2.18 113.70 121.03 1ija s SER 58 Ca 0.18 -0.56 0.08 0.00 0.70 0.00 0.00 55.95 56.34 1ija s SER 58 Cb -0.16 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.26 1ija s SER 58 CO 0.12 -0.13 0.20 -0.63 1.20 0.00 0.00 173.24 174.00 1ija s ILE 59 N 1.51 3.29 -0.01 6.45 1.01 -1.14 0.36 121.20 132.67 1ija s ILE 59 Ca 0.04 -1.57 0.01 0.00 0.00 0.00 0.00 60.65 59.13 1ija s ILE 59 Cb -0.16 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.25 1ija s ILE 59 CO 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 174.94 174.76 1ija s ALA 60 N -2.36 0.22 -0.00 9.38 0.00 -0.97 -1.55 121.76 126.47 1ija s ALA 60 Ca 0.38 0.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 1ija s ALA 60 Cb -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1ija s ALA 60 CO 0.24 -0.01 0.12 0.20 0.00 0.00 0.00 175.76 176.31 1ija s GLY 61 N 0.46 0.05 0.00 0.00 0.00 -0.81 -2.53 107.32 104.49 1ija s GLY 61 Ca -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1ija s GLY 61 CO -0.01 -0.25 0.00 1.42 0.00 0.00 0.00 173.10 174.26 1ija n HIS 62 N 1.65 -3.23 -3.15 1.90 8.25 -1.25 -0.48 115.22 118.91 1ija n HIS 62 Ca -0.22 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.29 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 -0.93 -0.61 -0.22 1.59 -1.32 -1.22 0.15 115.64 113.09 1ija s THR 63 Ca 0.00 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.28 1ija s THR 63 Cb 0.00 -0.61 -0.03 0.00 -1.51 0.00 0.00 72.50 70.36 1ija s THR 63 CO 0.00 0.00 0.59 -0.36 -2.21 0.00 0.00 174.62 172.64 1ija s PHE 64 N 2.90 3.34 0.15 9.09 0.40 -1.26 -4.88 117.98 127.72 1ija s PHE 64 Ca 0.19 0.83 -0.13 0.00 -0.60 0.00 0.00 56.93 57.22 1ija s PHE 64 Cb -0.06 -2.77 0.03 0.00 0.51 0.00 0.00 43.02 40.73 1ija s PHE 64 CO -0.24 -0.20 1.65 0.82 0.70 0.00 0.00 175.22 177.95 1ija h ILE 65 N 5.24 1.24 -0.16 0.64 2.04 -1.98 -2.48 117.51 122.06 1ija h ILE 65 Ca -0.31 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1ija h ILE 65 Cb 1.14 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1ija h ILE 65 CO 0.76 0.31 0.00 -0.67 0.00 0.00 0.00 178.15 178.55 1ija n ASP 66 N -4.46 2.13 -3.00 1.72 2.03 -1.26 -4.24 116.55 109.47 1ija n ASP 66 Ca 0.01 -2.22 -0.15 0.00 0.52 0.00 0.00 54.79 52.96 1ija n ASP 66 Cb 0.23 -0.50 -0.02 0.00 -0.72 0.00 0.00 41.12 40.10 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 0.16 0.54 0.00 -0.67 0.00 -0.93 -5.01 116.66 110.75 1ija n ARG 67 Ca 0.07 -2.48 0.00 0.00 -0.00 0.00 0.00 57.85 55.44 1ija n ARG 67 Cb 0.47 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.46 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 2.30 0.00 -2.92 -0.14 -0.02 -1.25 -3.06 135.00 129.90 1ija n PRO 68 Ca 0.19 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.54 1ija n PRO 68 Cb 0.55 -0.92 0.03 0.00 -0.02 0.00 0.00 33.50 33.14 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 0.50 -1.21 -3.44 2.55 4.13 -1.26 -4.52 115.26 112.01 1ija n ASN 69 Ca 0.00 -3.31 -0.26 0.00 1.68 0.00 0.00 54.58 52.68 1ija n ASN 69 Cb 0.00 0.86 -0.11 0.00 -1.54 0.00 0.00 39.78 38.99 1ija n ASN 69 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1ija s TYR 70 N -0.63 0.48 0.00 3.10 5.04 -1.17 -5.02 117.35 119.15 1ija s TYR 70 Ca 0.31 -1.43 0.00 0.00 -2.44 0.00 0.00 57.07 53.50 1ija s TYR 70 Cb 0.28 -0.80 0.00 0.00 0.35 0.00 0.00 41.96 41.80 1ija s TYR 70 CO -0.10 -0.86 0.00 1.04 -1.34 0.00 0.00 175.55 174.29 1ija n GLN 71 N 4.11 0.00 -0.58 4.97 1.13 -1.26 -2.60 117.38 123.15 1ija n GLN 71 Ca 0.12 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.07 1ija n GLN 71 Cb 0.39 0.00 0.05 0.00 0.11 0.00 0.00 30.24 30.79 1ija n GLN 71 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1ija n PHE 72 N 12.45 1.17 0.19 1.08 7.35 0.39 -4.44 117.46 135.65 1ija n PHE 72 Ca 0.00 -1.26 -0.12 0.00 -0.76 0.00 0.00 57.45 55.32 1ija n PHE 72 Cb 0.00 -0.63 -0.07 0.00 0.35 0.00 0.00 39.48 39.14 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 0.58 0.38 0.00 -2.13 2.02 -1.33 -3.34 112.91 109.10 1ija h THR 73 Ca 0.23 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1ija h THR 73 Cb 1.44 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1ija h THR 73 CO 0.47 0.08 -0.71 0.59 0.37 0.00 0.00 175.52 176.32 1ija n ASN 74 N -5.16 0.63 -0.10 4.18 4.13 -1.26 -3.97 115.26 113.71 1ija n ASN 74 Ca -0.09 -0.07 0.25 0.00 1.68 0.00 0.00 54.58 56.35 1ija n ASN 74 Cb 0.28 0.36 0.71 0.00 -1.54 0.00 0.00 39.78 39.59 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 0.00 3.41 3.38 -1.82 2.19 115.31 122.47 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 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 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 -4.25 0.58 -0.10 1.13 2.85 -1.25 -2.61 118.16 114.49 1ija n LYS 76 Ca 0.15 0.03 -0.13 0.00 -1.05 0.00 0.00 58.31 57.31 1ija n LYS 76 Cb 0.82 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.55 1ija n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ija n ALA 77 N -1.09 1.47 -0.73 0.58 0.00 0.74 -4.97 120.51 116.50 1ija n ALA 77 Ca 0.15 -1.23 -0.32 0.00 0.00 0.00 0.00 53.44 52.03 1ija n ALA 77 Cb 0.11 -0.20 0.15 0.00 0.00 0.00 0.00 19.45 19.51 1ija n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ija n ALA 78 N -2.90 -2.94 -2.33 0.00 0.00 -1.07 -4.97 120.51 106.30 1ija n ALA 78 Ca -0.36 -0.83 -0.18 0.00 0.00 0.00 0.00 53.44 52.07 1ija n ALA 78 Cb 1.10 -1.76 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 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 -3.69 1.31 0.14 0.00 -0.14 -1.26 -5.05 119.74 111.04 1ija s LYS 79 Ca 0.58 -1.62 -0.34 0.00 -1.36 0.00 0.00 55.97 53.22 1ija s LYS 79 Cb -0.19 -0.85 -0.16 0.00 -1.68 0.00 0.00 37.83 34.95 1ija s LYS 79 CO 0.66 0.04 1.27 1.63 -0.76 0.00 0.00 175.35 178.19 1ija n LYS 80 N -0.39 1.26 0.00 1.68 5.02 -1.26 -1.56 118.16 122.91 1ija n LYS 80 Ca -0.07 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1ija n LYS 80 Cb 0.62 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 2.30 2.18 3.63 0.72 0.00 -0.90 -4.99 105.19 108.13 1ija n GLY 81 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.99 6.07 1.07 1.61 0.15 -0.60 -4.59 113.70 116.42 1ija s SER 82 Ca 0.00 1.93 -0.08 0.00 0.70 0.00 0.00 55.95 58.50 1ija s SER 82 Cb 0.00 -2.52 0.12 0.00 -1.71 0.00 0.00 66.02 61.90 1ija s SER 82 CO 0.00 -1.46 0.49 1.15 1.20 0.00 0.00 173.24 174.62 1ija n MET 83 N 8.03 -1.44 -3.48 5.44 0.00 -1.26 -3.11 117.12 121.31 1ija n MET 83 Ca 0.23 -0.78 -0.16 0.00 0.00 0.00 0.00 57.70 56.99 1ija n MET 83 Cb 0.44 -0.65 -0.12 0.00 0.00 0.00 0.00 33.22 32.90 1ija n MET 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1ija s VAL 84 N -1.97 -0.38 -0.61 3.17 1.01 -1.06 -4.82 120.40 115.74 1ija s VAL 84 Ca 0.30 -0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 1ija s VAL 84 Cb -0.02 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.73 1ija s VAL 84 CO 0.23 -0.17 0.95 -0.31 0.00 0.00 0.00 175.10 175.80 1ija s TYR 85 N 2.37 2.72 -0.31 5.22 2.02 -0.85 -2.76 117.35 125.77 1ija s TYR 85 Ca 0.08 -0.33 -0.14 0.00 -0.37 0.00 0.00 57.07 56.30 1ija s TYR 85 Cb -0.15 -4.18 -0.03 0.00 -0.40 0.00 0.00 41.96 37.20 1ija s TYR 85 CO -0.13 -1.52 0.32 0.12 -1.57 0.00 0.00 175.55 172.77 1ija s PHE 86 N 4.01 3.22 -0.08 2.71 5.36 -0.75 -2.31 117.98 130.14 1ija s PHE 86 Ca 0.25 0.11 -0.01 0.00 -0.96 0.00 0.00 56.93 56.32 1ija s PHE 86 Cb -0.15 -2.57 -0.03 0.00 -0.34 0.00 0.00 43.02 39.93 1ija s PHE 86 CO 0.14 -0.32 -0.01 0.15 -1.46 0.00 0.00 175.22 173.72 1ija s LYS 87 N 1.96 2.94 -0.08 10.12 1.02 -0.06 -1.24 119.74 134.40 1ija s LYS 87 Ca 0.11 -0.44 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 1ija s LYS 87 Cb -0.16 -2.75 0.11 0.00 -0.52 0.00 0.00 37.83 34.51 1ija s LYS 87 CO 0.11 0.68 0.97 0.54 -0.92 0.00 0.00 175.35 176.73 1ija s VAL 88 N -0.84 0.00 0.00 3.17 0.11 -1.17 -0.49 120.40 121.18 1ija s VAL 88 Ca 0.13 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1ija s VAL 88 Cb -0.11 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1ija s VAL 88 CO 0.02 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 1ija n GLY 89 N 0.03 0.28 1.13 6.54 0.00 -1.26 -1.98 105.19 109.92 1ija n GLY 89 Ca -0.08 0.66 -0.04 0.00 0.00 0.00 0.00 46.02 46.57 1ija n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ija n ASN 90 N 5.60 -0.42 -2.20 1.61 3.02 -1.26 -5.13 115.26 116.48 1ija n ASN 90 Ca 0.00 -1.99 -0.10 0.00 -0.03 0.00 0.00 54.58 52.46 1ija n ASN 90 Cb 0.00 0.12 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 1ija n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ija n GLU 91 N 0.14 0.22 -3.43 3.52 -0.58 -0.84 -5.16 120.64 114.52 1ija n GLU 91 Ca -0.18 -1.79 -0.11 0.00 -0.42 0.00 0.00 57.16 54.66 1ija n GLU 91 Cb 0.82 1.48 -0.09 0.00 -0.57 0.00 0.00 31.44 33.07 1ija n GLU 91 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1ija s THR 92 N -2.73 -0.54 0.51 2.62 2.01 -1.26 -3.03 115.64 113.22 1ija s THR 92 Ca 0.21 -0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.15 1ija s THR 92 Cb 0.01 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.77 1ija s THR 92 CO 0.15 -0.11 0.79 -0.13 -0.69 0.00 0.00 174.62 174.63 1ija s ARG 93 N 2.50 3.11 -0.05 4.92 3.00 -0.37 -4.89 118.95 127.17 1ija s ARG 93 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 55.73 55.67 1ija s ARG 93 Cb -0.15 -2.40 0.04 0.00 0.00 0.00 0.00 34.95 32.44 1ija s ARG 93 CO -0.14 -0.43 0.09 -1.59 0.00 0.00 0.00 175.30 173.24 1ija s LYS 94 N -4.77 -0.02 0.49 3.54 -2.85 -1.26 -1.82 119.74 113.06 1ija s LYS 94 Ca 0.50 0.40 0.06 0.00 -1.00 0.00 0.00 55.97 55.94 1ija s LYS 94 Cb -0.10 -0.36 0.01 0.00 -2.06 0.00 0.00 37.83 35.32 1ija s LYS 94 CO 0.42 -0.28 0.38 0.71 0.10 0.00 0.00 175.35 176.69 1ija s TYR 95 N 1.90 2.04 -0.18 1.78 1.51 -1.11 -4.48 117.35 118.82 1ija s TYR 95 Ca 0.00 -0.71 -0.03 0.00 -1.01 0.00 0.00 57.07 55.32 1ija s TYR 95 Cb -0.12 -2.00 0.06 0.00 -0.11 0.00 0.00 41.96 39.78 1ija s TYR 95 CO -0.04 -0.32 0.04 0.21 -1.11 0.00 0.00 175.55 174.33 1ija s LYS 96 N -4.21 0.51 -0.11 -0.62 2.20 -1.13 -2.55 119.74 113.84 1ija s LYS 96 Ca 0.40 -0.29 -0.37 0.00 -0.36 0.00 0.00 55.97 55.35 1ija s LYS 96 Cb -0.02 -1.93 -0.15 0.00 -1.51 0.00 0.00 37.83 34.23 1ija s LYS 96 CO 0.24 -0.61 1.68 -1.33 -0.36 0.00 0.00 175.35 174.97 1ija n MET 97 N 5.11 1.53 -0.51 4.03 2.81 -1.18 -2.69 117.12 126.22 1ija n MET 97 Ca -0.08 0.56 -0.00 0.00 -1.81 0.00 0.00 57.70 56.36 1ija n MET 97 Cb 0.48 -2.28 -0.00 0.00 -0.71 0.00 0.00 33.22 30.70 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 4.19 0.00 -3.47 2.03 -2.24 -1.19 -2.13 114.28 111.47 1ija n THR 98 Ca 0.23 -0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.01 1ija n THR 98 Cb 0.20 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.65 1ija n THR 98 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ija s SER 99 N -0.54 -0.46 -0.03 3.42 0.15 -0.98 -4.95 113.70 110.31 1ija s SER 99 Ca 0.00 0.67 -0.00 0.00 0.70 0.00 0.00 55.95 57.32 1ija s SER 99 Cb 0.00 1.42 0.03 0.00 -1.71 0.00 0.00 66.02 65.76 1ija s SER 99 CO -0.00 -0.10 0.02 -0.63 1.20 0.00 0.00 173.24 173.73 1ija s ILE 100 N 1.98 0.06 0.00 6.45 1.01 -1.26 -0.01 121.20 129.42 1ija s ILE 100 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.78 1ija s ILE 100 Cb -0.04 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.24 1ija s ILE 100 CO -0.16 0.13 0.00 0.54 0.00 0.00 0.00 174.94 175.45 1ija n ARG 101 N 4.29 0.00 -0.61 2.79 1.74 -1.07 -4.84 116.66 118.95 1ija n ARG 101 Ca -0.25 0.31 -0.01 0.00 -0.77 0.00 0.00 57.85 57.14 1ija n ARG 101 Cb 0.50 -0.80 -0.00 0.00 -1.02 0.00 0.00 32.46 31.14 1ija n ARG 101 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ija n ASP 102 N -2.06 -3.33 0.00 0.55 8.00 -0.80 -4.76 116.55 114.15 1ija n ASP 102 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1ija n ASP 102 Cb 0.00 -2.23 0.00 0.00 -0.02 0.00 0.00 41.12 38.87 1ija n ASP 102 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1ija n VAL 103 N -1.16 0.00 -3.88 2.53 0.31 -1.26 -4.94 118.33 109.92 1ija n VAL 103 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.96 1ija n VAL 103 Cb 0.29 -0.18 -0.06 0.00 -0.91 0.00 0.00 33.84 32.98 1ija n VAL 103 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ija s LYS 104 N 0.20 3.44 0.00 5.55 1.02 -1.26 -4.96 119.74 123.73 1ija s LYS 104 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.83 1ija s LYS 104 Cb 0.00 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1ija s LYS 104 CO 0.00 0.76 0.62 -0.35 -0.92 0.00 0.00 175.35 175.46 1ija n PRO 105 N 1.82 0.65 -2.66 -1.68 -0.04 -1.26 -3.99 135.00 127.84 1ija n PRO 105 Ca -0.19 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.24 1ija n PRO 105 Cb 0.55 -1.19 0.06 0.00 -0.04 0.00 0.00 33.50 32.87 1ija n PRO 105 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ija n THR 106 N 0.62 0.00 0.00 0.52 5.66 -1.26 -4.98 114.28 114.83 1ija n THR 106 Ca 0.00 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 1ija n THR 106 Cb 0.31 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 69.86 1ija n THR 106 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ija n ASP 107 N 2.06 0.00 -1.61 1.09 2.03 -1.26 -4.65 116.55 114.21 1ija n ASP 107 Ca 0.06 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.39 1ija n ASP 107 Cb 0.69 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 41.40 1ija n ASP 107 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ija n VAL 108 N 0.00 2.70 0.00 5.18 0.24 -1.26 -4.90 118.33 120.28 1ija n VAL 108 Ca 0.00 -1.73 0.00 0.00 -2.04 0.00 0.00 64.34 60.57 1ija n VAL 108 Cb 0.00 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 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 -0.11 2.58 0.15 7.63 0.00 -1.26 -4.82 105.19 109.36 1ija n GLY 109 Ca 0.32 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -1.58 1.61 2.07 -1.92 -3.06 116.25 113.37 1ija h VAL 110 Ca 0.00 -0.20 -0.46 0.00 0.82 0.00 0.00 66.70 66.86 1ija h VAL 110 Cb 0.00 0.91 -0.40 0.00 -1.52 0.00 0.00 31.29 30.27 1ija h VAL 110 CO 0.00 0.00 -1.08 0.18 0.02 0.00 0.00 177.57 176.69 1ija n LEU 111 N -2.33 1.94 -0.25 2.57 4.77 -1.26 -4.76 117.00 117.67 1ija n LEU 111 Ca 0.01 -4.60 -0.00 0.00 -0.03 0.00 0.00 56.01 51.39 1ija n LEU 111 Cb 0.19 0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1ija n LEU 111 CO 0.18 2.00 0.11 -0.67 -1.33 0.00 0.00 177.39 177.68 1ija n ASP 112 N -0.00 -0.04 0.00 -1.43 2.03 -1.15 -4.95 116.55 111.00 1ija n ASP 112 Ca 0.21 -0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.07 1ija n ASP 112 Cb 0.69 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 1ija n ASP 112 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ija n GLU 113 N 0.00 0.00 -0.49 -0.67 2.13 -1.24 -4.85 120.64 115.52 1ija n GLU 113 Ca -0.01 -0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.87 1ija n GLU 113 Cb 0.23 -0.08 0.27 0.00 0.27 0.00 0.00 31.44 32.12 1ija n GLU 113 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1ija n GLN 114 N 0.00 3.16 -1.43 5.31 3.00 -1.26 -4.28 117.38 121.87 1ija n GLN 114 Ca 0.00 -2.14 -0.31 0.00 -0.01 0.00 0.00 57.00 54.54 1ija n GLN 114 Cb 0.26 -1.79 0.04 0.00 0.00 0.00 0.00 30.24 28.75 1ija n GLN 114 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1ija n LYS 115 N 0.72 2.47 0.00 -1.09 2.85 -1.26 -4.74 118.16 117.12 1ija n LYS 115 Ca 0.19 -2.83 0.00 0.00 -1.05 0.00 0.00 58.31 54.62 1ija n LYS 115 Cb 0.73 -2.12 0.00 0.00 -0.65 0.00 0.00 35.03 32.99 1ija n LYS 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ija n GLY 116 N -0.23 -0.46 0.00 2.58 0.00 -1.26 -4.83 105.19 100.99 1ija n GLY 116 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 1.48 -4.51 1.61 4.81 -1.26 -5.12 118.16 115.17 1ija n LYS 117 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 1ija n LYS 117 Cb 0.00 -0.35 -0.10 0.00 0.02 0.00 0.00 35.03 34.60 1ija n LYS 117 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ija s ASP 118 N -0.65 3.94 0.51 3.14 2.15 -1.26 -5.09 116.67 119.40 1ija s ASP 118 Ca 0.00 -1.25 -0.23 0.00 0.43 0.00 0.00 52.55 51.50 1ija s ASP 118 Cb 0.00 -0.41 -0.06 0.00 -0.30 0.00 0.00 42.92 42.15 1ija s ASP 118 CO 0.00 -0.38 1.38 -0.54 -0.17 0.00 0.00 175.17 175.46 1ija s LYS 119 N -3.71 3.35 0.08 4.34 1.02 -1.26 -4.83 119.74 118.73 1ija s LYS 119 Ca 0.35 2.29 -0.05 0.00 0.02 0.00 0.00 55.97 58.58 1ija s LYS 119 Cb 0.06 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 1ija s LYS 119 CO 0.18 -1.04 0.10 1.14 -0.92 0.00 0.00 175.35 174.81 1ija s GLN 120 N -2.74 0.77 -0.32 1.68 0.00 -1.11 -1.57 119.66 116.38 1ija s GLN 120 Ca 0.68 -1.10 -0.02 0.00 -0.00 0.00 0.00 55.36 54.92 1ija s GLN 120 Cb -0.41 0.29 0.06 0.00 0.00 0.00 0.00 33.01 32.94 1ija s GLN 120 CO 0.51 -0.21 0.03 -1.17 0.00 0.00 0.00 175.29 174.44 1ija s LEU 121 N -2.90 4.13 -0.45 2.60 2.96 0.15 -3.03 118.68 122.13 1ija s LEU 121 Ca 0.07 -1.43 -0.17 0.00 -0.22 0.00 0.00 54.13 52.38 1ija s LEU 121 Cb 0.06 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 45.07 1ija s LEU 121 CO -0.09 -0.31 0.45 0.28 -1.32 0.00 0.00 176.35 175.36 1ija s THR 122 N 1.21 5.11 0.46 3.68 -1.32 -0.93 -1.86 115.64 121.99 1ija s THR 122 Ca -0.03 -0.62 -0.10 0.00 -1.21 0.00 0.00 61.69 59.73 1ija s THR 122 Cb -0.20 -4.10 -0.06 0.00 -1.51 0.00 0.00 72.50 66.63 1ija s THR 122 CO -0.02 -0.53 0.83 -0.76 -2.21 0.00 0.00 174.62 171.92 1ija s LEU 123 N 2.04 3.70 0.00 9.08 1.43 -1.01 -2.89 118.68 131.03 1ija s LEU 123 Ca 0.10 1.17 -0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1ija s LEU 123 Cb -0.20 -4.10 -0.01 0.00 0.03 0.00 0.00 46.19 41.92 1ija s LEU 123 CO 0.11 -0.51 0.00 -0.63 0.23 0.00 0.00 176.35 175.55 1ija s ILE 124 N -2.57 0.04 0.32 -0.59 1.01 -0.60 -2.83 121.20 115.99 1ija s ILE 124 Ca 0.52 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 1ija s ILE 124 Cb -0.10 -0.12 -0.05 0.00 0.01 0.00 0.00 42.46 42.20 1ija s ILE 124 CO 0.37 -0.19 0.59 0.42 0.00 0.00 0.00 174.94 176.13 1ija s THR 125 N -0.55 5.01 -0.42 2.92 -4.23 -1.18 -1.93 115.64 115.27 1ija s THR 125 Ca -0.06 0.03 0.05 0.00 -1.18 0.00 0.00 61.69 60.52 1ija s THR 125 Cb -0.04 -3.76 0.17 0.00 1.34 0.00 0.00 72.50 70.21 1ija s THR 125 CO -0.00 -0.41 0.46 0.00 -0.54 0.00 0.00 174.62 174.13 1ija s ASP 127 N 0.94 -0.02 -0.80 0.00 -4.77 -1.26 -3.92 116.67 106.85 1ija s ASP 127 Ca 0.24 -0.00 -0.04 0.00 -3.30 0.00 0.00 52.55 49.45 1ija s ASP 127 Cb -0.06 0.19 -0.05 0.00 -1.09 0.00 0.00 42.92 41.91 1ija s ASP 127 CO -0.08 -0.15 0.70 0.47 0.70 0.00 0.00 175.17 176.81 1ija n ASP 128 N 2.43 -5.75 -4.66 2.11 8.00 -1.26 -4.31 116.55 113.11 1ija n ASP 128 Ca -0.17 -0.50 -0.42 0.00 0.71 0.00 0.00 54.79 54.41 1ija n ASP 128 Cb 0.58 -4.22 -0.03 0.00 -0.02 0.00 0.00 41.12 37.43 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 -3.27 1.64 -0.18 1.24 6.14 -1.26 -2.78 117.35 118.88 1ija s TYR 129 Ca 0.32 -0.13 -0.24 0.00 0.64 0.00 0.00 57.07 57.66 1ija s TYR 129 Cb -0.04 -4.08 -0.02 0.00 0.42 0.00 0.00 41.96 38.24 1ija s TYR 129 CO 0.58 -4.69 0.78 1.21 0.64 0.00 0.00 175.55 174.07 1ija s ASN 130 N 3.88 6.88 -0.08 4.32 2.47 -1.04 -4.80 114.94 126.57 1ija s ASN 130 Ca 0.81 1.08 0.14 0.00 0.42 0.00 0.00 52.86 55.31 1ija s ASN 130 Cb -0.38 -2.43 0.55 0.00 -1.45 0.00 0.00 41.25 37.54 1ija s ASN 130 CO 0.35 -0.37 1.42 -1.84 -3.72 0.00 0.00 177.10 172.94 1ija n GLU 131 N 5.21 3.05 0.00 0.43 0.00 -1.26 -2.21 120.64 125.86 1ija n GLU 131 Ca 0.03 -2.16 -0.07 0.00 0.00 0.00 0.00 57.16 54.96 1ija n GLU 131 Cb 0.49 -1.73 0.12 0.00 0.00 0.00 0.00 31.44 30.32 1ija n GLU 131 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1ija h LYS 132 N 3.12 0.53 0.00 3.44 1.79 -1.92 -3.36 116.57 120.17 1ija h LYS 132 Ca 0.00 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1ija h LYS 132 Cb 1.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1ija h LYS 132 CO 0.17 0.84 0.00 0.25 -1.08 0.00 0.00 179.45 179.63 1ija n THR 133 N -4.03 0.00 -1.64 -0.16 -2.24 -1.26 -5.04 114.28 99.91 1ija n THR 133 Ca -0.02 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1ija n THR 133 Cb 0.51 1.72 0.00 0.00 -2.10 0.00 0.00 70.33 70.45 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 0.78 3.10 3.38 0.00 -1.17 -5.08 105.19 106.20 1ija n GLY 134 Ca 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.00 -0.02 -0.25 1.61 1.01 -0.94 -5.04 120.40 113.76 1ija s VAL 135 Ca 0.00 0.09 -0.34 0.00 0.00 0.00 0.00 61.98 61.73 1ija s VAL 135 Cb -0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 36.38 35.89 1ija s VAL 135 CO 0.01 0.04 2.07 0.79 0.00 0.00 0.00 175.10 178.01 1ija n TRP 136 N 3.75 1.89 0.00 5.22 7.02 -1.26 -2.50 117.44 131.56 1ija n TRP 136 Ca -0.21 0.17 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 1ija n TRP 136 Cb 0.55 -2.59 0.00 0.00 -2.42 0.00 0.00 31.31 26.85 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 7.61 0.00 -3.69 -0.99 0.00 -1.12 -4.34 120.64 118.11 1ija n GLU 137 Ca 0.33 0.39 -0.37 0.00 0.00 0.00 0.00 57.16 57.50 1ija n GLU 137 Cb 0.27 -0.81 -0.06 0.00 0.00 0.00 0.00 31.44 30.84 1ija n GLU 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1ija s LYS 138 N -0.91 3.70 -0.32 5.31 -2.85 -1.26 -4.99 119.74 118.41 1ija s LYS 138 Ca 0.00 0.12 0.03 0.00 -1.00 0.00 0.00 55.97 55.12 1ija s LYS 138 Cb 0.00 -3.22 0.16 0.00 -2.06 0.00 0.00 37.83 32.71 1ija s LYS 138 CO 0.00 0.71 0.42 0.50 0.10 0.00 0.00 175.35 177.08 1ija s ARG 139 N -0.95 0.51 0.47 1.78 3.52 -1.26 -4.51 118.95 118.51 1ija s ARG 139 Ca 0.19 -0.18 -0.07 0.00 -0.13 0.00 0.00 55.73 55.54 1ija s ARG 139 Cb -0.14 -0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 32.83 1ija s ARG 139 CO 0.08 -1.09 0.79 0.15 -0.81 0.00 0.00 175.30 174.42 1ija s LYS 140 N 2.18 3.61 -0.01 5.12 1.02 -1.26 -4.54 119.74 125.86 1ija s LYS 140 Ca 0.12 0.31 0.04 0.00 0.02 0.00 0.00 55.97 56.46 1ija s LYS 140 Cb -0.12 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 1ija s LYS 140 CO -0.21 -0.18 -0.14 0.42 -0.92 0.00 0.00 175.35 174.32 1ija s ILE 141 N -2.66 1.11 0.32 2.17 -1.09 -1.26 -3.13 121.20 116.66 1ija s ILE 141 Ca 0.49 -0.62 0.03 0.00 -2.23 0.00 0.00 60.65 58.32 1ija s ILE 141 Cb -0.10 -0.93 -0.06 0.00 -1.58 0.00 0.00 42.46 39.79 1ija s ILE 141 CO 0.42 0.30 0.07 -0.36 -1.23 0.00 0.00 174.94 174.13 1ija s PHE 142 N -0.35 1.87 -0.18 3.97 0.40 -1.13 -1.91 117.98 120.65 1ija s PHE 142 Ca 0.05 -1.03 -0.18 0.00 -0.60 0.00 0.00 56.93 55.18 1ija s PHE 142 Cb -0.06 -1.20 0.05 0.00 0.51 0.00 0.00 43.02 42.32 1ija s PHE 142 CO -0.00 -0.08 0.50 0.08 0.70 0.00 0.00 175.22 176.41 1ija s VAL 143 N -3.38 0.00 -0.00 -0.44 1.01 0.98 -2.40 120.40 116.17 1ija s VAL 143 Ca 0.36 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1ija s VAL 143 Cb 0.08 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.75 1ija s VAL 143 CO 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 175.10 175.20 1ija s ALA 144 N 0.14 0.30 -0.09 5.51 0.00 -0.78 -2.32 121.76 124.52 1ija s ALA 144 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.81 1ija s ALA 144 Cb -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1ija s ALA 144 CO 0.01 0.06 -0.06 -0.08 0.00 0.00 0.00 175.76 175.70 1ija s THR 145 N -0.01 3.80 0.25 0.00 -1.32 -1.09 0.32 115.64 117.58 1ija s THR 145 Ca 0.01 -0.43 -0.31 0.00 -1.21 0.00 0.00 61.69 59.75 1ija s THR 145 Cb -0.02 -2.58 -0.11 0.00 -1.51 0.00 0.00 72.50 68.28 1ija s THR 145 CO -0.00 0.58 1.58 -0.70 -2.21 0.00 0.00 174.62 173.86 1ija s GLU 146 N -0.54 4.17 0.18 7.08 2.12 -0.61 -2.84 118.70 128.26 1ija s GLU 146 Ca 0.08 2.49 -0.10 0.00 0.36 0.00 0.00 54.97 57.80 1ija s GLU 146 Cb -0.12 -3.07 -0.07 0.00 0.26 0.00 0.00 34.13 31.14 1ija s GLU 146 CO 0.02 -0.60 0.51 0.14 -0.54 0.00 0.00 175.26 174.79 1ija s VAL 147 N 0.35 4.96 -2.03 3.70 -7.23 -1.26 -4.88 120.40 114.00 1ija s VAL 147 Ca 0.65 0.51 0.32 0.00 -1.81 0.00 0.00 61.98 61.65 1ija s VAL 147 Cb -0.46 -3.65 0.89 0.00 0.56 0.00 0.00 36.38 33.72 1ija s VAL 147 CO 0.42 0.06 2.20 2.29 -0.31 0.00 0.00 175.10 179.76