#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 2.68 -0.20 0.03 -1.52 -1.26 -4.97 119.66 114.42 1ija s GLN 2 Ca 0.00 1.12 0.05 0.00 -1.95 0.00 0.00 55.36 54.58 1ija s GLN 2 Cb 0.00 -1.95 0.18 0.00 -0.22 0.00 0.00 33.01 31.01 1ija s GLN 2 CO 0.00 -1.31 1.01 0.00 -0.25 0.00 0.00 175.29 174.73 1ija n ALA 3 N -3.09 -0.20 -2.91 6.09 0.00 -1.26 -4.94 120.51 114.19 1ija n ALA 3 Ca 0.09 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 1ija n ALA 3 Cb 0.53 -0.74 0.04 0.00 0.00 0.00 0.00 19.45 19.29 1ija n ALA 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ija n LYS 4 N -0.64 1.00 0.00 0.00 0.00 -1.26 -5.06 118.16 112.19 1ija n LYS 4 Ca -0.11 -2.51 0.00 0.00 0.00 0.00 0.00 58.31 55.70 1ija n LYS 4 Cb 0.68 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.41 1ija n LYS 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1ija n PRO 5 N 0.34 1.79 -2.10 1.64 -0.04 -1.26 -4.83 135.00 130.54 1ija n PRO 5 Ca 0.14 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 1ija n PRO 5 Cb 0.68 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.14 1ija n PRO 5 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ija n GLN 6 N 0.00 3.16 -3.41 0.54 7.27 -1.26 -4.80 117.38 118.88 1ija n GLN 6 Ca 0.00 -3.04 -0.13 0.00 0.07 0.00 0.00 57.00 53.89 1ija n GLN 6 Cb 0.00 -3.19 -0.10 0.00 2.41 0.00 0.00 30.24 29.36 1ija n GLN 6 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1ija s ILE 7 N 2.38 -0.48 1.00 1.69 1.01 -1.26 -4.90 121.20 120.64 1ija s ILE 7 Ca 0.45 -0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.81 1ija s ILE 7 Cb 0.10 -0.78 0.22 0.00 0.01 0.00 0.00 42.46 42.02 1ija s ILE 7 CO -0.03 -0.19 1.35 -2.16 0.00 0.00 0.00 174.94 173.91 1ija s PRO 8 N 2.44 0.35 -0.23 2.79 0.04 -1.26 -4.98 135.00 134.14 1ija s PRO 8 Ca 0.10 -0.50 0.14 0.00 0.04 0.00 0.00 61.00 60.78 1ija s PRO 8 Cb -0.15 -1.82 0.72 0.00 0.04 0.00 0.00 34.50 33.29 1ija s PRO 8 CO -0.16 -2.60 1.66 0.36 0.04 0.00 0.00 177.00 176.30 1ija n LYS 9 N -3.87 4.09 -2.46 4.56 2.85 -1.26 -4.60 118.16 117.46 1ija n LYS 9 Ca 0.17 -3.07 -0.41 0.00 -1.05 0.00 0.00 58.31 53.95 1ija n LYS 9 Cb 0.59 -2.13 -0.03 0.00 -0.65 0.00 0.00 35.03 32.81 1ija n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ija s ASP 10 N -1.21 6.09 0.00 -5.58 1.11 -1.26 -4.82 116.67 110.98 1ija s ASP 10 Ca 0.51 -0.12 0.01 0.00 0.18 0.00 0.00 52.55 53.13 1ija s ASP 10 Cb 0.40 -2.55 0.05 0.00 1.07 0.00 0.00 42.92 41.89 1ija s ASP 10 CO 0.13 -1.83 0.26 0.29 1.18 0.00 0.00 175.17 175.20 1ija n LYS 11 N 9.07 0.11 -2.80 8.23 4.01 -1.26 -2.25 118.16 133.28 1ija n LYS 11 Ca 0.08 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.86 1ija n LYS 11 Cb 0.49 -1.12 0.05 0.00 -0.51 0.00 0.00 35.03 33.94 1ija n LYS 11 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1ija n SER 12 N -0.62 1.33 -3.78 4.39 3.41 -1.26 -4.88 113.62 112.20 1ija n SER 12 Ca 0.01 -2.16 -0.13 0.00 -0.26 0.00 0.00 58.87 56.33 1ija n SER 12 Cb 0.00 -0.40 -0.11 0.00 -0.26 0.00 0.00 64.21 63.44 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 -3.42 0.38 0.06 4.33 2.47 -0.95 -5.11 119.74 117.49 1ija s LYS 13 Ca 0.26 0.25 -0.30 0.00 -1.56 0.00 0.00 55.97 54.62 1ija s LYS 13 Cb 0.35 0.18 -0.09 0.00 -1.46 0.00 0.00 37.83 36.81 1ija s LYS 13 CO -0.03 -0.06 1.86 0.08 0.16 0.00 0.00 175.35 177.36 1ija s VAL 14 N -0.15 2.90 -0.12 4.02 1.01 -1.26 -4.48 120.40 122.31 1ija s VAL 14 Ca -0.03 0.14 0.19 0.00 0.00 0.00 0.00 61.98 62.28 1ija s VAL 14 Cb -0.03 -3.09 -0.24 0.00 0.00 0.00 0.00 36.38 33.03 1ija s VAL 14 CO 0.01 -0.01 0.45 0.00 0.00 0.00 0.00 175.10 175.55 1ija n ALA 15 N 6.67 2.07 -3.00 5.51 0.00 -0.50 -4.98 120.51 126.27 1ija n ALA 15 Ca 0.19 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1ija n ALA 15 Cb 0.40 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 1.47 1.42 3.07 0.00 0.00 -1.25 -4.70 105.19 105.21 1ija n GLY 16 Ca -0.16 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.70 -0.39 -0.07 1.61 1.51 0.23 -2.96 117.35 114.57 1ija s TYR 17 Ca 0.00 0.91 -0.12 0.00 -1.01 0.00 0.00 57.07 56.85 1ija s TYR 17 Cb 0.00 0.05 -0.05 0.00 -0.11 0.00 0.00 41.96 41.85 1ija s TYR 17 CO 0.00 -0.28 0.30 -1.50 -1.11 0.00 0.00 175.55 172.95 1ija s ILE 18 N 1.63 5.24 -0.06 2.71 -1.16 -0.64 -0.07 121.20 128.84 1ija s ILE 18 Ca -0.06 0.58 -0.07 0.00 -0.51 0.00 0.00 60.65 60.59 1ija s ILE 18 Cb -0.11 -3.59 0.02 0.00 0.61 0.00 0.00 42.46 39.39 1ija s ILE 18 CO -0.09 0.56 0.18 -1.61 -2.81 0.00 0.00 174.94 171.18 1ija s GLU 19 N -0.82 0.26 -0.13 3.50 2.02 -0.95 -2.61 118.70 119.97 1ija s GLU 19 Ca 0.20 0.18 -0.06 0.00 0.02 0.00 0.00 54.97 55.30 1ija s GLU 19 Cb -0.14 0.12 0.06 0.00 0.10 0.00 0.00 34.13 34.26 1ija s GLU 19 CO 0.09 -0.04 0.30 0.42 0.02 0.00 0.00 175.26 176.05 1ija s ILE 20 N -0.09 -0.16 0.02 -1.63 1.01 -0.75 -2.00 121.20 117.60 1ija s ILE 20 Ca -0.02 0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.60 1ija s ILE 20 Cb -0.02 -0.47 -0.23 0.00 0.01 0.00 0.00 42.46 41.75 1ija s ILE 20 CO 0.00 0.07 1.11 1.55 0.00 0.00 0.00 174.94 177.68 1ija h PRO 21 N 7.47 0.45 0.00 2.79 0.13 -1.84 0.61 132.00 141.61 1ija h PRO 21 Ca -0.33 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1ija h PRO 21 Cb 1.15 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ija h PRO 21 CO 0.29 1.13 0.18 -0.25 -0.23 0.00 0.00 178.00 179.13 1ija n ASP 22 N -4.17 0.10 -0.05 1.44 9.92 -1.26 -0.32 116.55 122.21 1ija n ASP 22 Ca -0.10 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 1ija n ASP 22 Cb 0.70 -0.40 0.01 0.00 -0.64 0.00 0.00 41.12 40.78 1ija n ASP 22 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ija n ALA 23 N -1.41 1.39 -3.72 2.24 0.00 -1.16 -4.18 120.51 113.67 1ija n ALA 23 Ca -0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 53.44 52.42 1ija n ALA 23 Cb 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.18 -2.06 -4.82 0.00 5.68 0.56 -4.73 116.55 111.01 1ija n ASP 24 Ca 0.01 -0.57 -0.38 0.00 -0.50 0.00 0.00 54.79 53.34 1ija n ASP 24 Cb 0.46 -1.79 -0.06 0.00 -1.14 0.00 0.00 41.12 38.60 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 -2.84 4.81 -0.40 2.12 1.01 0.03 -4.94 121.20 120.99 1ija s ILE 25 Ca 0.51 1.09 0.02 0.00 0.00 0.00 0.00 60.65 62.27 1ija s ILE 25 Cb -0.29 -3.84 0.19 0.00 0.01 0.00 0.00 42.46 38.53 1ija s ILE 25 CO 0.63 0.52 0.82 -1.59 0.00 0.00 0.00 174.94 175.31 1ija s LYS 26 N -1.23 0.64 0.05 2.79 -2.85 -1.25 -1.80 119.74 116.08 1ija s LYS 26 Ca 0.29 -0.38 -0.01 0.00 -1.00 0.00 0.00 55.97 54.87 1ija s LYS 26 Cb -0.18 0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.58 1ija s LYS 26 CO 0.18 -0.87 -0.03 -1.21 0.10 0.00 0.00 175.35 173.52 1ija s GLU 27 N 1.55 0.56 0.64 1.78 0.41 -1.07 -4.99 118.70 117.57 1ija s GLU 27 Ca 0.20 -1.10 -0.10 0.00 -0.41 0.00 0.00 54.97 53.55 1ija s GLU 27 Cb 0.01 0.17 -0.02 0.00 -1.78 0.00 0.00 34.13 32.51 1ija s GLU 27 CO -0.09 -0.09 1.03 -1.25 -0.49 0.00 0.00 175.26 174.37 1ija s PRO 28 N -3.41 3.27 -0.05 0.39 0.04 -1.26 -1.63 135.00 132.36 1ija s PRO 28 Ca 0.02 0.55 0.04 0.00 0.04 0.00 0.00 61.00 61.65 1ija s PRO 28 Cb 0.04 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 1ija s PRO 28 CO -0.08 -0.73 -0.16 0.08 0.04 0.00 0.00 177.00 176.16 1ija s VAL 29 N -3.20 1.35 0.18 -0.36 1.01 -1.16 -3.81 120.40 114.41 1ija s VAL 29 Ca 0.56 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 1ija s VAL 29 Cb -0.11 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 35.04 1ija s VAL 29 CO 0.52 0.39 0.43 -0.31 0.00 0.00 0.00 175.10 176.13 1ija s TYR 30 N 0.15 3.47 -1.23 5.22 2.02 -1.15 -1.41 117.35 124.41 1ija s TYR 30 Ca -0.06 0.59 -0.19 0.00 -0.37 0.00 0.00 57.07 57.04 1ija s TYR 30 Cb -0.12 -2.04 0.07 0.00 -0.40 0.00 0.00 41.96 39.47 1ija s TYR 30 CO 0.02 0.37 1.66 -1.25 -1.57 0.00 0.00 175.55 174.79 1ija s PRO 31 N -2.87 3.89 0.27 -1.71 0.04 -1.26 -3.04 135.00 130.32 1ija s PRO 31 Ca 0.42 -1.79 -0.19 0.00 0.04 0.00 0.00 61.00 59.47 1ija s PRO 31 Cb -0.12 -5.49 0.07 0.00 0.04 0.00 0.00 34.50 29.00 1ija s PRO 31 CO 0.25 -2.24 0.93 0.20 0.04 0.00 0.00 177.00 176.18 1ija s GLY 32 N 4.39 0.22 -0.48 0.56 0.00 -1.26 -4.42 107.32 106.34 1ija s GLY 32 Ca 0.52 -0.51 -0.29 0.00 0.00 0.00 0.00 44.72 44.44 1ija s GLY 32 CO 0.03 1.27 1.21 2.56 0.00 0.00 0.00 173.10 178.18 1ija s PRO 33 N -2.23 3.66 -0.89 2.90 0.04 -1.26 -3.10 135.00 134.11 1ija s PRO 33 Ca 0.19 0.61 -0.12 0.00 0.04 0.00 0.00 61.00 61.73 1ija s PRO 33 Cb -0.04 -3.95 -0.28 0.00 0.04 0.00 0.00 34.50 30.27 1ija s PRO 33 CO 0.08 -1.47 2.12 0.00 0.04 0.00 0.00 177.00 177.76 1ija n ALA 34 N 8.18 0.93 -2.43 8.56 0.00 -0.85 -4.84 120.51 130.05 1ija n ALA 34 Ca 0.13 -0.97 -0.27 0.00 0.00 0.00 0.00 53.44 52.34 1ija n ALA 34 Cb 0.49 -2.45 -0.12 0.00 0.00 0.00 0.00 19.45 17.37 1ija n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ija s THR 35 N 3.10 2.16 0.30 0.00 -4.23 -1.26 -5.00 115.64 110.71 1ija s THR 35 Ca 1.14 -1.85 0.05 0.00 -1.18 0.00 0.00 61.69 59.85 1ija s THR 35 Cb -0.64 -1.96 0.30 0.00 1.34 0.00 0.00 72.50 71.53 1ija s THR 35 CO 0.43 -0.06 1.78 1.55 -0.54 0.00 0.00 174.62 177.78 1ija h PRO 36 N 3.57 0.76 -0.28 3.99 0.13 -1.98 -0.27 132.00 137.93 1ija h PRO 36 Ca -0.47 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 1ija h PRO 36 Cb 1.19 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1ija h PRO 36 CO 0.44 0.51 -0.18 1.05 -0.23 0.00 0.00 178.00 179.59 1ija h GLU 37 N 0.79 0.50 0.00 0.86 4.11 -1.96 -2.50 114.58 116.38 1ija h GLU 37 Ca 0.57 -0.16 -0.18 0.00 0.07 0.00 0.00 59.36 59.65 1ija h GLU 37 Cb 0.84 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1ija h GLU 37 CO -0.37 0.66 -1.33 -0.56 0.07 0.00 0.00 179.01 177.49 1ija h GLN 38 N 0.46 0.00 0.00 1.06 -0.00 -1.58 -3.28 115.11 111.77 1ija h GLN 38 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1ija h GLN 38 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.05 1ija h GLN 38 CO 0.04 0.36 0.00 1.28 -0.00 0.00 0.00 178.83 180.51 1ija n LEU 39 N -2.96 0.15 0.12 0.06 4.77 -0.22 -3.24 117.00 115.67 1ija n LEU 39 Ca -0.09 0.52 0.15 0.00 -0.03 0.00 0.00 56.01 56.56 1ija n LEU 39 Cb 0.86 -0.47 0.70 0.00 -2.33 0.00 0.00 43.42 42.17 1ija n LEU 39 CO 0.43 -0.06 1.14 0.78 -1.33 0.00 0.00 177.39 178.35 1ija h ASN 40 N 0.00 0.00 1.90 -1.43 4.21 -1.51 0.78 115.58 119.53 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 0.52 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1ija h ASN 40 CO 0.00 0.00 -0.01 0.03 -1.29 0.00 0.00 177.43 176.16 1ija h ARG 41 N 0.00 0.00 0.00 0.81 -0.00 -1.80 -3.49 114.38 109.90 1ija h ARG 41 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.62 1ija h ARG 41 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.55 1ija h ARG 41 CO -0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.97 180.38 1ija n GLY 42 N 1.00 -0.16 3.92 0.04 0.00 0.27 -5.10 105.19 105.17 1ija n GLY 42 Ca 0.04 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.09 2.45 -0.11 1.61 1.01 -1.25 -4.42 120.40 117.60 1ija s VAL 43 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1ija s VAL 43 Cb 0.00 -3.07 0.12 0.00 0.00 0.00 0.00 36.38 33.42 1ija s VAL 43 CO 0.00 -0.08 0.95 -0.55 0.00 0.00 0.00 175.10 175.42 1ija s SER 44 N -4.49 -0.39 0.76 3.32 0.15 -1.12 -2.94 113.70 108.99 1ija s SER 44 Ca 0.59 0.31 -0.14 0.00 0.70 0.00 0.00 55.95 57.41 1ija s SER 44 Cb -0.11 0.34 0.06 0.00 -1.71 0.00 0.00 66.02 64.60 1ija s SER 44 CO 0.45 -0.44 1.19 -0.36 1.20 0.00 0.00 173.24 175.29 1ija s PHE 45 N -1.70 2.02 -1.70 3.44 0.08 -1.17 -1.15 117.98 117.80 1ija s PHE 45 Ca -0.00 1.63 0.19 0.00 0.12 0.00 0.00 56.93 58.87 1ija s PHE 45 Cb -0.01 -3.42 1.07 0.00 -0.57 0.00 0.00 43.02 40.09 1ija s PHE 45 CO -0.01 -2.58 1.58 0.00 -0.10 0.00 0.00 175.22 174.11 1ija n ALA 46 N -3.00 2.12 -3.31 5.36 0.00 0.53 -2.01 120.51 120.20 1ija n ALA 46 Ca 0.13 -0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 1ija n ALA 46 Cb 0.51 -1.32 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.30 0.69 0.22 0.00 2.02 -1.26 -4.16 118.70 113.92 1ija s GLU 47 Ca 0.24 0.07 -0.06 0.00 0.02 0.00 0.00 54.97 55.23 1ija s GLU 47 Cb 0.13 0.32 0.19 0.00 0.10 0.00 0.00 34.13 34.87 1ija s GLU 47 CO 0.26 -0.18 1.73 1.05 0.02 0.00 0.00 175.26 178.14 1ija h GLU 48 N 4.10 1.04 -0.84 1.61 4.11 -1.83 -2.86 114.58 119.91 1ija h GLU 48 Ca -0.29 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 58.87 1ija h GLU 48 Cb 1.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1ija h GLU 48 CO 0.36 0.95 0.02 0.09 0.07 0.00 0.00 179.01 180.50 1ija n ASN 49 N -4.23 2.95 -4.76 3.06 3.02 -1.26 -4.35 115.26 109.69 1ija n ASN 49 Ca 0.04 -2.40 -0.41 0.00 -0.03 0.00 0.00 54.58 51.79 1ija n ASN 49 Cb 0.27 -0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1ija s GLU 50 N -1.68 4.20 0.15 3.52 2.56 -1.08 -4.97 118.70 121.40 1ija s GLU 50 Ca 0.22 2.43 -0.11 0.00 0.00 0.00 0.00 54.97 57.51 1ija s GLU 50 Cb 0.17 -3.04 0.00 0.00 2.00 0.00 0.00 34.13 33.26 1ija s GLU 50 CO 0.06 -0.47 0.31 -1.12 -0.56 0.00 0.00 175.26 173.49 1ija s SER 51 N 0.14 -0.01 0.26 -1.70 0.01 -1.26 -5.00 113.70 106.14 1ija s SER 51 Ca 0.57 -0.72 0.18 0.00 1.31 0.00 0.00 55.95 57.29 1ija s SER 51 Cb -0.44 0.44 0.96 0.00 0.21 0.00 0.00 66.02 67.19 1ija s SER 51 CO 0.51 -0.88 1.56 0.18 0.41 0.00 0.00 173.24 175.01 1ija n LEU 52 N -0.21 0.47 0.12 2.44 4.32 -1.26 -0.75 117.00 122.14 1ija n LEU 52 Ca -0.10 0.71 -0.00 0.00 -0.02 0.00 0.00 56.01 56.59 1ija n LEU 52 Cb 0.63 -0.75 0.06 0.00 -1.62 0.00 0.00 43.42 41.74 1ija n LEU 52 CO 0.22 -0.83 0.41 0.44 -1.22 0.00 0.00 177.39 176.41 1ija h ASP 53 N 0.00 0.00 -2.21 -1.43 3.32 -1.94 -3.43 116.42 110.73 1ija h ASP 53 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1ija h ASP 53 Cb 0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1ija h ASP 53 CO 0.00 0.65 1.39 -1.81 -1.72 0.00 0.00 179.24 177.75 1ija s ASP 54 N -6.58 5.77 0.00 6.45 1.11 0.07 -4.77 116.67 118.72 1ija s ASP 54 Ca 0.02 1.96 0.03 0.00 0.18 0.00 0.00 52.55 54.74 1ija s ASP 54 Cb 0.10 -2.52 0.19 0.00 1.07 0.00 0.00 42.92 41.76 1ija s ASP 54 CO 0.76 -1.70 0.54 0.00 1.18 0.00 0.00 175.17 175.95 1ija n GLN 55 N 8.39 0.29 -3.39 8.23 10.64 -1.26 -3.94 117.38 136.35 1ija n GLN 55 Ca 0.26 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 55.25 1ija n GLN 55 Cb 0.44 -1.17 -0.09 0.00 -0.86 0.00 0.00 30.24 28.57 1ija n GLN 55 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1ija s ASN 56 N -1.80 1.55 -0.34 2.61 3.84 -1.26 -2.33 114.94 117.20 1ija s ASN 56 Ca 0.05 -1.22 -0.17 0.00 0.21 0.00 0.00 52.86 51.73 1ija s ASN 56 Cb 0.02 0.47 -0.01 0.00 -0.55 0.00 0.00 41.25 41.18 1ija s ASN 56 CO 0.04 -0.33 0.47 -0.63 -2.79 0.00 0.00 177.10 173.86 1ija s ILE 57 N 1.87 5.06 -0.30 -5.21 1.01 -1.15 -4.92 121.20 117.56 1ija s ILE 57 Ca 0.13 0.31 -0.07 0.00 0.00 0.00 0.00 60.65 61.02 1ija s ILE 57 Cb -0.15 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.42 1ija s ILE 57 CO -0.18 -0.16 0.08 -0.94 0.00 0.00 0.00 174.94 173.75 1ija s SER 58 N 1.74 5.16 0.16 3.58 1.04 -1.26 -0.40 113.70 123.71 1ija s SER 58 Ca 0.17 -0.81 0.03 0.00 0.48 0.00 0.00 55.95 55.81 1ija s SER 58 Cb -0.16 -1.87 -0.03 0.00 0.10 0.00 0.00 66.02 64.05 1ija s SER 58 CO 0.13 -0.22 0.29 -0.63 0.98 0.00 0.00 173.24 173.78 1ija s ILE 59 N 1.47 5.32 -0.21 -1.02 1.01 -0.97 0.20 121.20 127.00 1ija s ILE 59 Ca 0.02 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.98 1ija s ILE 59 Cb -0.18 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 38.58 1ija s ILE 59 CO 0.02 -0.11 -0.15 0.00 0.00 0.00 0.00 174.94 174.70 1ija s ALA 60 N -1.76 2.38 0.05 9.38 0.00 -0.30 -0.48 121.76 131.04 1ija s ALA 60 Ca 0.35 -1.44 0.08 0.00 0.00 0.00 0.00 51.96 50.95 1ija s ALA 60 Cb -0.11 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 1ija s ALA 60 CO 0.29 -0.75 -0.23 0.20 0.00 0.00 0.00 175.76 175.27 1ija s GLY 61 N 1.23 1.23 1.09 0.00 0.00 -0.34 -2.81 107.32 107.71 1ija s GLY 61 Ca -0.01 -1.15 -0.17 0.00 0.00 0.00 0.00 44.72 43.39 1ija s GLY 61 CO -0.09 -1.07 1.16 0.30 0.00 0.00 0.00 173.10 173.40 1ija s HIS 62 N -0.83 1.19 -0.50 1.90 3.76 -1.26 -0.82 115.29 118.73 1ija s HIS 62 Ca 0.09 0.55 0.06 0.00 -0.15 0.00 0.00 55.06 55.62 1ija s HIS 62 Cb -0.09 -3.58 0.19 0.00 1.11 0.00 0.00 32.58 30.21 1ija s HIS 62 CO 0.02 -3.29 0.67 -2.37 -0.85 0.00 0.00 174.74 168.92 1ija n THR 63 N -4.34 -0.21 -3.12 1.30 5.66 -1.24 0.18 114.28 112.52 1ija n THR 63 Ca 0.12 -1.44 -0.39 0.00 -3.05 0.00 0.00 64.05 59.29 1ija n THR 63 Cb 0.59 0.54 -0.05 0.00 -1.55 0.00 0.00 70.33 69.87 1ija n THR 63 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1ija s PHE 64 N 0.72 3.55 0.32 1.09 0.08 -1.26 -4.79 117.98 117.69 1ija s PHE 64 Ca 0.31 1.14 0.03 0.00 0.12 0.00 0.00 56.93 58.53 1ija s PHE 64 Cb 0.01 -2.74 0.55 0.00 -0.57 0.00 0.00 43.02 40.28 1ija s PHE 64 CO -0.08 0.09 1.85 0.82 -0.10 0.00 0.00 175.22 177.80 1ija h ILE 65 N 4.77 1.21 -0.12 0.64 2.04 -1.99 -1.85 117.51 122.21 1ija h ILE 65 Ca -0.40 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 1ija h ILE 65 Cb 1.19 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1ija h ILE 65 CO 0.76 0.29 0.00 -0.90 0.00 0.00 0.00 178.15 178.30 1ija n ASP 66 N -4.26 2.00 -2.97 1.72 5.75 -1.26 -4.10 116.55 113.43 1ija n ASP 66 Ca 0.02 -2.19 -0.16 0.00 -0.01 0.00 0.00 54.79 52.45 1ija n ASP 66 Cb 0.26 -0.54 -0.00 0.00 -1.03 0.00 0.00 41.12 39.81 1ija n ASP 66 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1ija n ARG 67 N 0.13 0.79 0.00 0.11 3.00 -0.69 -4.99 116.66 115.01 1ija n ARG 67 Ca 0.06 -2.51 0.00 0.00 -0.00 0.00 0.00 57.85 55.40 1ija n ARG 67 Cb 0.45 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.57 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 1.31 0.00 -2.93 -0.14 -0.02 -1.26 -2.67 135.00 129.29 1ija n PRO 68 Ca 0.15 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.49 1ija n PRO 68 Cb 0.60 -0.90 0.02 0.00 -0.02 0.00 0.00 33.50 33.20 1ija n PRO 68 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ija n ASN 69 N 0.02 -1.19 -3.38 2.55 0.23 -1.26 -4.63 115.26 107.59 1ija n ASN 69 Ca 0.00 -3.27 -0.16 0.00 -0.53 0.00 0.00 54.58 50.62 1ija n ASN 69 Cb 0.00 0.80 -0.09 0.00 -2.08 0.00 0.00 39.78 38.41 1ija n ASN 69 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1ija s TYR 70 N -0.61 -0.54 0.00 -2.53 5.04 -1.09 -5.05 117.35 112.57 1ija s TYR 70 Ca 0.31 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.81 1ija s TYR 70 Cb 0.27 -0.41 0.00 0.00 0.35 0.00 0.00 41.96 42.17 1ija s TYR 70 CO -0.11 -0.94 0.00 1.04 -1.34 0.00 0.00 175.55 174.20 1ija n GLN 71 N 5.25 0.00 -0.00 4.97 6.02 -1.26 -2.05 117.38 130.31 1ija n GLN 71 Ca -0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.12 1ija n GLN 71 Cb 0.47 0.00 0.47 0.00 1.02 0.00 0.00 30.24 32.20 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 1.24 0.01 -0.29 1.08 -0.00 0.49 -4.35 117.46 115.64 1ija n PHE 72 Ca 0.00 -0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.54 1ija n PHE 72 Cb 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 39.48 39.73 1ija n PHE 72 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1ija h THR 73 N 2.62 0.53 0.00 -2.13 2.02 -0.81 -2.32 112.91 112.82 1ija h THR 73 Ca 0.00 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1ija h THR 73 Cb 0.56 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1ija h THR 73 CO 0.00 0.07 -1.57 0.59 0.37 0.00 0.00 175.52 174.98 1ija n ASN 74 N -5.05 0.44 -0.22 4.18 4.13 -1.26 -4.13 115.26 113.35 1ija n ASN 74 Ca 0.19 0.17 0.25 0.00 1.68 0.00 0.00 54.58 56.87 1ija n ASN 74 Cb 0.55 1.09 0.63 0.00 -1.54 0.00 0.00 39.78 40.52 1ija n ASN 74 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1ija h LEU 75 N 0.00 0.18 0.00 3.41 7.12 -1.63 2.49 115.31 126.88 1ija h LEU 75 Ca -0.06 0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1ija h LEU 75 Cb 1.17 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.29 1ija h LEU 75 CO 0.01 0.06 0.00 2.29 -0.13 0.00 0.00 178.44 180.67 1ija n LYS 76 N -4.38 0.39 -0.05 1.25 2.85 -1.22 -1.44 118.16 115.55 1ija n LYS 76 Ca 0.20 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.42 1ija n LYS 76 Cb 0.87 -1.44 -0.11 0.00 -0.65 0.00 0.00 35.03 33.70 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 -0.94 1.89 -0.66 0.58 0.00 0.84 -5.00 120.51 117.22 1ija n ALA 77 Ca 0.08 -0.79 -0.07 0.00 0.00 0.00 0.00 53.44 52.67 1ija n ALA 77 Cb 0.04 -0.18 0.11 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.40 -1.94 -3.82 0.00 0.00 -0.52 -4.93 120.51 106.90 1ija n ALA 78 Ca -0.18 -0.56 -0.02 0.00 0.00 0.00 0.00 53.44 52.68 1ija n ALA 78 Cb 0.81 -0.05 0.01 0.00 0.00 0.00 0.00 19.45 20.22 1ija n ALA 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ija s LYS 79 N -3.06 1.02 0.20 0.00 -2.85 -1.26 -5.06 119.74 108.75 1ija s LYS 79 Ca 0.25 -0.63 -0.32 0.00 -1.00 0.00 0.00 55.97 54.27 1ija s LYS 79 Cb -0.04 0.31 -0.15 0.00 -2.06 0.00 0.00 37.83 35.88 1ija s LYS 79 CO 0.21 -0.48 1.15 1.17 0.10 0.00 0.00 175.35 177.50 1ija n LYS 80 N -0.63 1.29 0.00 1.78 3.00 -1.26 -0.69 118.16 121.64 1ija n LYS 80 Ca -0.04 0.46 0.00 0.00 -0.00 0.00 0.00 58.31 58.73 1ija n LYS 80 Cb 0.60 -1.94 0.00 0.00 0.00 0.00 0.00 35.03 33.69 1ija n LYS 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ija n GLY 81 N 1.87 2.83 3.59 3.14 0.00 -0.47 -4.99 105.19 111.17 1ija n GLY 81 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1ija n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ija s SER 82 N -1.40 5.36 1.16 1.61 0.01 0.13 -4.74 113.70 115.83 1ija s SER 82 Ca 0.00 1.57 -0.18 0.00 1.31 0.00 0.00 55.95 58.66 1ija s SER 82 Cb 0.00 -2.51 0.26 0.00 0.21 0.00 0.00 66.02 63.98 1ija s SER 82 CO 0.00 -2.08 1.11 -0.04 0.41 0.00 0.00 173.24 172.64 1ija s MET 83 N 6.56 -0.85 0.04 12.44 -1.94 -1.26 -1.85 119.30 132.43 1ija s MET 83 Ca 0.95 0.02 -0.05 0.00 -1.71 0.00 0.00 55.69 54.89 1ija s MET 83 Cb -0.27 -1.63 -0.01 0.00 2.01 0.00 0.00 34.83 34.92 1ija s MET 83 CO 0.33 -3.48 0.09 0.08 -0.01 0.00 0.00 175.02 172.03 1ija s VAL 84 N -3.04 0.13 -0.25 -6.03 1.01 -1.14 -4.66 120.40 106.43 1ija s VAL 84 Ca 0.70 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 1ija s VAL 84 Cb -0.11 -0.85 0.11 0.00 0.00 0.00 0.00 36.38 35.53 1ija s VAL 84 CO 0.56 -0.59 0.25 -0.31 0.00 0.00 0.00 175.10 175.01 1ija s TYR 85 N -2.51 -0.31 -0.40 5.22 2.02 -0.85 -2.74 117.35 117.78 1ija s TYR 85 Ca -0.06 -0.04 -0.19 0.00 -0.37 0.00 0.00 57.07 56.42 1ija s TYR 85 Cb -0.02 -0.45 0.01 0.00 -0.40 0.00 0.00 41.96 41.11 1ija s TYR 85 CO -0.04 -0.76 0.53 0.12 -1.57 0.00 0.00 175.55 173.83 1ija s PHE 86 N 2.32 3.14 0.04 2.71 5.36 -1.05 -2.23 117.98 128.27 1ija s PHE 86 Ca 0.08 -0.07 -0.02 0.00 -0.96 0.00 0.00 56.93 55.96 1ija s PHE 86 Cb -0.15 -3.05 -0.04 0.00 -0.34 0.00 0.00 43.02 39.44 1ija s PHE 86 CO -0.23 -0.70 0.23 0.21 -1.46 0.00 0.00 175.22 173.27 1ija s LYS 87 N 2.45 3.48 -0.30 10.12 2.20 0.89 -1.34 119.74 137.24 1ija s LYS 87 Ca 0.18 -0.32 -0.06 0.00 -0.36 0.00 0.00 55.97 55.40 1ija s LYS 87 Cb -0.15 -3.04 0.19 0.00 -1.51 0.00 0.00 37.83 33.31 1ija s LYS 87 CO 0.15 0.62 0.83 0.54 -0.36 0.00 0.00 175.35 177.13 1ija s VAL 88 N -1.45 -0.65 0.00 4.02 0.11 -0.79 0.74 120.40 122.38 1ija s VAL 88 Ca 0.33 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1ija s VAL 88 Cb -0.13 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 1ija s VAL 88 CO 0.23 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.61 1ija n GLY 89 N 5.41 1.58 1.84 6.54 0.00 -1.26 -2.39 105.19 116.91 1ija n GLY 89 Ca -0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 1ija n GLY 89 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ija n ASN 90 N -1.21 5.72 -3.88 1.61 6.94 -1.26 -4.81 115.26 118.37 1ija n ASN 90 Ca 0.00 -2.68 -0.11 0.00 -0.02 0.00 0.00 54.58 51.77 1ija n ASN 90 Cb 0.00 -1.20 -0.10 0.00 -2.36 0.00 0.00 39.78 36.12 1ija n ASN 90 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1ija s GLU 91 N -0.39 0.48 -0.18 -3.83 2.02 -1.00 -5.15 118.70 110.64 1ija s GLU 91 Ca 0.31 -0.42 -0.06 0.00 0.02 0.00 0.00 54.97 54.82 1ija s GLU 91 Cb 0.18 0.20 0.09 0.00 0.10 0.00 0.00 34.13 34.70 1ija s GLU 91 CO -0.03 -0.11 0.37 0.99 0.02 0.00 0.00 175.26 176.50 1ija s THR 92 N -1.43 -0.58 0.46 3.63 2.01 -1.26 -1.89 115.64 116.58 1ija s THR 92 Ca -0.15 0.17 -0.00 0.00 0.31 0.00 0.00 61.69 62.02 1ija s THR 92 Cb -0.08 -0.62 -0.00 0.00 0.01 0.00 0.00 72.50 71.81 1ija s THR 92 CO 0.01 0.06 0.68 -0.13 -0.69 0.00 0.00 174.62 174.56 1ija s ARG 93 N 2.55 3.09 -0.12 4.92 1.81 -0.45 -4.93 118.95 125.81 1ija s ARG 93 Ca 0.01 -0.43 -0.04 0.00 -1.72 0.00 0.00 55.73 53.54 1ija s ARG 93 Cb -0.12 -2.54 0.06 0.00 -0.45 0.00 0.00 34.95 31.90 1ija s ARG 93 CO -0.12 -0.28 0.23 -1.59 -0.68 0.00 0.00 175.30 172.86 1ija s LYS 94 N -4.58 0.12 0.08 3.54 -2.85 -1.26 -2.52 119.74 112.27 1ija s LYS 94 Ca 0.48 0.63 0.01 0.00 -1.00 0.00 0.00 55.97 56.09 1ija s LYS 94 Cb -0.10 -0.24 0.01 0.00 -2.06 0.00 0.00 37.83 35.44 1ija s LYS 94 CO 0.38 -0.33 0.05 0.66 0.10 0.00 0.00 175.35 176.21 1ija n TYR 95 N 5.34 -0.99 -3.48 1.78 4.02 -1.11 -4.30 117.16 118.42 1ija n TYR 95 Ca -0.05 -0.36 -0.23 0.00 -0.01 0.00 0.00 57.90 57.24 1ija n TYR 95 Cb 0.50 -0.06 -0.13 0.00 -0.02 0.00 0.00 39.34 39.63 1ija n TYR 95 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1ija s LYS 96 N -2.33 0.24 -0.30 -0.72 2.20 -0.91 -2.87 119.74 115.05 1ija s LYS 96 Ca 0.04 -0.26 -0.39 0.00 -0.36 0.00 0.00 55.97 55.00 1ija s LYS 96 Cb -0.00 -0.99 -0.14 0.00 -1.51 0.00 0.00 37.83 35.19 1ija s LYS 96 CO 0.02 -0.96 1.91 -1.33 -0.36 0.00 0.00 175.35 174.63 1ija n MET 97 N 5.29 1.15 -0.96 4.03 2.81 -0.77 -2.87 117.12 125.79 1ija n MET 97 Ca -0.04 0.39 -0.06 0.00 -1.81 0.00 0.00 57.70 56.18 1ija n MET 97 Cb 0.45 -2.21 -0.06 0.00 -0.71 0.00 0.00 33.22 30.68 1ija n MET 97 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1ija n THR 98 N 5.51 0.00 -2.97 2.03 5.66 -1.25 -1.37 114.28 121.89 1ija n THR 98 Ca 0.32 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.31 1ija n THR 98 Cb 0.16 0.46 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 1ija n THR 98 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1ija s SER 99 N -0.91 -1.24 0.54 1.09 0.15 -0.78 -4.97 113.70 107.57 1ija s SER 99 Ca 0.00 -0.94 -0.10 0.00 0.70 0.00 0.00 55.95 55.61 1ija s SER 99 Cb 0.00 1.60 -0.05 0.00 -1.71 0.00 0.00 66.02 65.86 1ija s SER 99 CO 0.00 -0.10 0.93 -0.63 1.20 0.00 0.00 173.24 174.63 1ija s ILE 100 N 1.51 4.74 0.00 6.45 1.09 -1.26 0.11 121.20 133.84 1ija s ILE 100 Ca 0.20 0.74 0.00 0.00 -1.10 0.00 0.00 60.65 60.49 1ija s ILE 100 Cb -0.00 -3.82 0.00 0.00 -1.06 0.00 0.00 42.46 37.57 1ija s ILE 100 CO -0.08 -0.91 0.00 0.54 -0.10 0.00 0.00 174.94 174.39 1ija n ARG 101 N -2.22 3.07 -0.34 2.79 5.12 -1.11 -4.77 116.66 119.19 1ija n ARG 101 Ca 0.04 0.00 0.36 0.00 -1.93 0.00 0.00 57.85 56.32 1ija n ARG 101 Cb 0.54 -0.26 0.75 0.00 -1.16 0.00 0.00 32.46 32.34 1ija n ARG 101 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 1ija h ASP 102 N 0.00 0.01 0.70 0.55 3.04 0.35 0.91 116.42 121.99 1ija h ASP 102 Ca 0.00 0.00 -0.26 0.00 -3.24 0.00 0.00 57.03 53.53 1ija h ASP 102 Cb 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.27 1ija h ASP 102 CO 0.00 0.00 -1.28 1.62 -2.04 0.00 0.00 179.24 177.54 1ija h VAL 103 N 0.01 1.42 -2.24 4.15 3.04 -1.88 -3.39 116.25 117.36 1ija h VAL 103 Ca 0.59 -3.09 -0.59 0.00 -1.01 0.00 0.00 66.70 62.60 1ija h VAL 103 Cb 2.33 2.81 -0.40 0.00 -2.01 0.00 0.00 31.29 34.02 1ija h VAL 103 CO -0.02 0.86 -0.84 0.29 -1.01 0.00 0.00 177.57 176.85 1ija n LYS 104 N -3.39 1.45 0.00 4.17 4.76 0.30 -5.10 118.16 120.35 1ija n LYS 104 Ca -0.08 -3.90 0.00 0.00 -2.87 0.00 0.00 58.31 51.46 1ija n LYS 104 Cb 1.00 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 1ija n LYS 104 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1ija n PRO 105 N 1.43 1.30 -3.99 1.97 -0.04 -0.05 -4.48 135.00 131.14 1ija n PRO 105 Ca 0.25 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.44 1ija n PRO 105 Cb 0.46 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.84 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 -0.02 -0.62 0.00 0.52 5.66 -1.26 -4.90 114.28 113.65 1ija n THR 106 Ca 0.00 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 1ija n THR 106 Cb 0.00 -0.72 0.00 0.00 -1.55 0.00 0.00 70.33 68.06 1ija n THR 106 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ija n ASP 107 N -2.20 0.00 -2.05 1.09 9.92 -1.26 -4.86 116.55 117.18 1ija n ASP 107 Ca -0.18 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 53.93 1ija n ASP 107 Cb 0.52 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 41.22 1ija n ASP 107 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1ija n VAL 108 N 0.00 2.92 0.00 2.53 0.24 -1.26 -4.74 118.33 118.02 1ija n VAL 108 Ca 0.00 -1.65 0.00 0.00 -2.04 0.00 0.00 64.34 60.65 1ija n VAL 108 Cb 0.00 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 31.91 1ija n VAL 108 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ija n GLY 109 N -0.64 -0.71 0.20 7.63 0.00 -1.26 -4.92 105.19 105.49 1ija n GLY 109 Ca 0.48 0.65 0.01 0.00 0.00 0.00 0.00 46.02 47.16 1ija n GLY 109 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ija h VAL 110 N 0.00 1.27 -1.42 1.61 2.07 -1.95 -3.27 116.25 114.56 1ija h VAL 110 Ca 0.00 -1.27 -0.41 0.00 0.82 0.00 0.00 66.70 65.83 1ija h VAL 110 Cb 0.00 1.60 -0.40 0.00 -1.52 0.00 0.00 31.29 30.97 1ija h VAL 110 CO 0.00 0.37 -1.19 0.18 0.02 0.00 0.00 177.57 176.95 1ija n LEU 111 N -4.10 1.25 -4.64 2.57 4.77 -1.26 -5.07 117.00 110.52 1ija n LEU 111 Ca -0.02 -4.26 -0.43 0.00 -0.03 0.00 0.00 56.01 51.27 1ija n LEU 111 Cb 0.41 0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 42.01 1ija n LEU 111 CO 0.40 1.87 1.02 -1.81 -1.33 0.00 0.00 177.39 177.53 1ija s ASP 112 N -2.85 6.84 -0.03 -1.43 1.11 -1.24 -4.85 116.67 114.22 1ija s ASP 112 Ca 0.33 1.10 0.03 0.00 0.18 0.00 0.00 52.55 54.19 1ija s ASP 112 Cb 0.41 -2.54 0.14 0.00 1.07 0.00 0.00 42.92 42.00 1ija s ASP 112 CO -0.01 -0.95 0.84 -1.84 1.18 0.00 0.00 175.17 174.39 1ija n GLU 113 N 7.03 1.57 -1.15 8.23 0.28 -1.26 -3.18 120.64 132.16 1ija n GLU 113 Ca 0.13 -0.53 -0.01 0.00 -0.16 0.00 0.00 57.16 56.59 1ija n GLU 113 Cb 0.47 -1.47 -0.02 0.00 1.43 0.00 0.00 31.44 31.85 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 0.04 0.00 -1.41 3.44 -0.00 -1.26 -4.63 117.38 113.56 1ija n GLN 114 Ca 0.05 -1.37 -0.47 0.00 -0.00 0.00 0.00 57.00 55.21 1ija n GLN 114 Cb 0.32 0.18 -0.03 0.00 -0.00 0.00 0.00 30.24 30.72 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 0.22 0.12 0.00 2.61 5.02 -1.19 -4.68 118.16 120.25 1ija n LYS 115 Ca -0.10 0.04 0.01 0.00 -2.02 0.00 0.00 58.31 56.24 1ija n LYS 115 Cb 0.88 -1.08 0.04 0.00 -0.02 0.00 0.00 35.03 34.86 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 1.96 -0.26 0.00 0.72 0.00 -1.26 -4.59 105.19 101.76 1ija n GLY 116 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ija n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ija n LYS 117 N -0.59 3.56 -4.53 1.61 4.76 -1.26 -5.13 118.16 116.58 1ija n LYS 117 Ca 0.01 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.18 1ija n LYS 117 Cb 0.01 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 1ija n LYS 117 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ija s ASP 118 N -1.00 3.97 0.10 4.39 -1.08 -1.26 -5.06 116.67 116.73 1ija s ASP 118 Ca 0.00 -1.31 -0.30 0.00 -0.52 0.00 0.00 52.55 50.42 1ija s ASP 118 Cb 0.00 -0.41 -0.17 0.00 -1.46 0.00 0.00 42.92 40.88 1ija s ASP 118 CO 0.00 -0.45 0.69 0.29 0.52 0.00 0.00 175.17 176.22 1ija n LYS 119 N -1.01 0.00 -3.93 4.34 5.02 -1.26 -4.76 118.16 116.56 1ija n LYS 119 Ca -0.04 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.16 1ija n LYS 119 Cb 0.66 -1.11 -0.08 0.00 -0.02 0.00 0.00 35.03 34.49 1ija n LYS 119 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1ija s GLN 120 N -0.50 0.90 -0.44 1.97 0.00 -0.99 -1.96 119.66 118.65 1ija s GLN 120 Ca 0.69 -1.08 -0.10 0.00 -0.00 0.00 0.00 55.36 54.86 1ija s GLN 120 Cb -0.98 0.33 0.09 0.00 0.00 0.00 0.00 33.01 32.45 1ija s GLN 120 CO 0.51 -0.29 0.30 -1.17 0.00 0.00 0.00 175.29 174.65 1ija s LEU 121 N -2.91 5.36 0.27 2.60 1.98 -1.15 -2.91 118.68 121.92 1ija s LEU 121 Ca 0.10 -1.57 -0.07 0.00 -2.89 0.00 0.00 54.13 49.70 1ija s LEU 121 Cb 0.05 -2.03 -0.06 0.00 0.66 0.00 0.00 46.19 44.81 1ija s LEU 121 CO -0.07 -0.60 0.56 -0.89 -1.89 0.00 0.00 176.35 173.47 1ija s THR 122 N 1.45 4.98 0.00 3.68 2.01 0.46 -1.06 115.64 127.17 1ija s THR 122 Ca 0.04 0.23 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 1ija s THR 122 Cb -0.24 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 1ija s THR 122 CO 0.02 -0.24 0.05 -0.22 -0.69 0.00 0.00 174.62 173.54 1ija s LEU 123 N -3.30 1.90 0.01 4.42 1.98 -1.00 -2.28 118.68 120.40 1ija s LEU 123 Ca 0.45 -0.22 0.01 0.00 -2.89 0.00 0.00 54.13 51.49 1ija s LEU 123 Cb -0.11 0.29 -0.01 0.00 0.66 0.00 0.00 46.19 47.03 1ija s LEU 123 CO 0.27 -0.23 -0.05 -0.63 -1.89 0.00 0.00 176.35 173.82 1ija s ILE 124 N -0.96 0.36 0.57 6.68 1.01 0.37 -3.10 121.20 126.13 1ija s ILE 124 Ca -0.11 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.19 1ija s ILE 124 Cb -0.06 -0.34 0.04 0.00 0.01 0.00 0.00 42.46 42.11 1ija s ILE 124 CO 0.00 -0.01 0.81 0.42 0.00 0.00 0.00 174.94 176.17 1ija s THR 125 N -0.36 2.67 -0.25 2.92 -4.23 -1.13 -1.20 115.64 114.06 1ija s THR 125 Ca -0.01 -0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.90 1ija s THR 125 Cb -0.03 -3.03 0.12 0.00 1.34 0.00 0.00 72.50 70.90 1ija s THR 125 CO -0.00 -0.02 0.30 0.00 -0.54 0.00 0.00 174.62 174.35 1ija s ASP 127 N 2.41 -0.60 -0.94 0.00 2.15 -1.26 -3.69 116.67 114.74 1ija s ASP 127 Ca 0.09 0.92 -0.08 0.00 0.43 0.00 0.00 52.55 53.91 1ija s ASP 127 Cb -0.15 0.89 -0.02 0.00 -0.30 0.00 0.00 42.92 43.34 1ija s ASP 127 CO -0.21 -0.39 0.76 0.47 -0.17 0.00 0.00 175.17 175.63 1ija n ASP 128 N 1.89 -6.34 -4.68 -0.34 8.00 -1.26 -4.00 116.55 109.81 1ija n ASP 128 Ca -0.17 -0.64 -0.42 0.00 0.71 0.00 0.00 54.79 54.28 1ija n ASP 128 Cb 0.56 -4.11 -0.03 0.00 -0.02 0.00 0.00 41.12 37.53 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 -3.22 2.33 -0.11 1.24 6.14 -1.26 -2.47 117.35 120.00 1ija s TYR 129 Ca 0.24 0.30 -0.23 0.00 0.64 0.00 0.00 57.07 58.02 1ija s TYR 129 Cb -0.07 -3.95 -0.03 0.00 0.42 0.00 0.00 41.96 38.33 1ija s TYR 129 CO 0.81 -3.85 0.71 1.21 0.64 0.00 0.00 175.55 175.07 1ija s ASN 130 N 2.60 6.92 -0.04 4.32 3.84 -0.87 -4.77 114.94 126.94 1ija s ASN 130 Ca 0.74 1.11 0.15 0.00 0.21 0.00 0.00 52.86 55.07 1ija s ASN 130 Cb -0.38 -2.41 0.51 0.00 -0.55 0.00 0.00 41.25 38.42 1ija s ASN 130 CO 0.32 -0.20 1.41 -1.84 -2.79 0.00 0.00 177.10 174.00 1ija n GLU 131 N 4.30 2.62 -0.07 0.43 0.00 -1.26 -2.82 120.64 123.84 1ija n GLU 131 Ca -0.00 -2.04 -0.06 0.00 0.00 0.00 0.00 57.16 55.06 1ija n GLU 131 Cb 0.51 -1.56 -0.03 0.00 0.00 0.00 0.00 31.44 30.35 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 3.14 0.00 -0.00 3.44 1.57 -1.92 -3.39 116.57 119.41 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 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1ija h LYS 132 CO 0.08 0.20 -0.78 0.25 -0.57 0.00 0.00 179.45 178.63 1ija n THR 133 N -4.65 0.00 -2.30 -0.16 -2.24 -1.26 -4.97 114.28 98.69 1ija n THR 133 Ca -0.08 -0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.68 1ija n THR 133 Cb 0.24 0.68 0.01 0.00 -2.10 0.00 0.00 70.33 69.16 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 1.50 0.49 3.18 3.38 0.00 -1.18 -5.07 105.19 107.50 1ija n GLY 134 Ca 0.05 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.04 0.10 -0.18 1.61 1.01 -1.13 -5.03 120.40 113.74 1ija s VAL 135 Ca 0.02 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 1ija s VAL 135 Cb -0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1ija s VAL 135 CO 0.08 -0.44 2.10 0.26 0.00 0.00 0.00 175.10 177.10 1ija s TRP 136 N -2.25 1.30 0.00 5.22 0.52 -1.26 -2.05 118.94 120.42 1ija s TRP 136 Ca -0.07 0.35 0.00 0.00 0.02 0.00 0.00 56.10 56.40 1ija s TRP 136 Cb -0.02 -4.01 0.00 0.00 -1.15 0.00 0.00 33.47 28.28 1ija s TRP 136 CO -0.02 -4.21 0.30 -1.91 0.02 0.00 0.00 176.95 171.13 1ija n GLU 137 N 8.43 0.00 -3.35 4.98 2.13 -1.03 -4.32 120.64 127.48 1ija n GLU 137 Ca 0.27 0.30 -0.38 0.00 0.66 0.00 0.00 57.16 58.00 1ija n GLU 137 Cb 0.44 -0.77 -0.06 0.00 0.27 0.00 0.00 31.44 31.33 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 -0.64 4.17 -0.26 5.31 1.02 -1.26 -4.99 119.74 123.10 1ija s LYS 138 Ca 0.00 0.54 -0.10 0.00 0.02 0.00 0.00 55.97 56.43 1ija s LYS 138 Cb 0.00 -3.31 0.11 0.00 -0.52 0.00 0.00 37.83 34.10 1ija s LYS 138 CO 0.00 0.46 0.57 -0.98 -0.92 0.00 0.00 175.35 174.48 1ija s ARG 139 N -0.39 0.51 0.32 1.68 1.04 -1.26 -4.26 118.95 116.58 1ija s ARG 139 Ca 0.27 1.25 0.06 0.00 -1.04 0.00 0.00 55.73 56.27 1ija s ARG 139 Cb -0.17 0.54 -0.01 0.00 -2.04 0.00 0.00 34.95 33.27 1ija s ARG 139 CO 0.14 -0.20 0.43 0.15 -0.04 0.00 0.00 175.30 175.78 1ija s LYS 140 N 2.51 3.11 0.01 3.89 1.02 -1.26 -4.89 119.74 124.14 1ija s LYS 140 Ca -0.06 -1.01 -0.12 0.00 0.02 0.00 0.00 55.97 54.80 1ija s LYS 140 Cb -0.11 -2.79 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 1ija s LYS 140 CO -0.17 0.12 0.26 0.96 -0.92 0.00 0.00 175.35 175.60 1ija s ILE 141 N -2.16 0.08 0.26 2.17 -4.36 -1.26 -2.85 121.20 113.07 1ija s ILE 141 Ca 0.43 -0.63 -0.07 0.00 -0.26 0.00 0.00 60.65 60.12 1ija s ILE 141 Cb -0.09 -0.72 -0.01 0.00 1.25 0.00 0.00 42.46 42.89 1ija s ILE 141 CO 0.30 -0.35 0.37 0.72 0.24 0.00 0.00 174.94 176.23 1ija s PHE 142 N -1.85 0.79 -0.12 1.37 -0.12 -1.18 0.27 117.98 117.15 1ija s PHE 142 Ca -0.10 -1.07 -0.06 0.00 -0.05 0.00 0.00 56.93 55.65 1ija s PHE 142 Cb -0.04 -0.11 0.05 0.00 -0.63 0.00 0.00 43.02 42.29 1ija s PHE 142 CO 0.01 -0.92 0.27 0.08 -0.05 0.00 0.00 175.22 174.60 1ija s VAL 143 N -3.82 -0.05 0.38 -2.49 1.01 0.12 -2.39 120.40 113.16 1ija s VAL 143 Ca 0.29 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.48 1ija s VAL 143 Cb 0.02 -0.42 0.06 0.00 0.00 0.00 0.00 36.38 36.04 1ija s VAL 143 CO 0.13 0.06 0.52 0.00 0.00 0.00 0.00 175.10 175.80 1ija n ALA 144 N 4.26 0.80 -3.36 5.51 0.00 -0.22 -1.86 120.51 125.63 1ija n ALA 144 Ca -0.25 -1.36 -0.12 0.00 0.00 0.00 0.00 53.44 51.70 1ija n ALA 144 Cb 0.53 0.37 -0.11 0.00 0.00 0.00 0.00 19.45 20.24 1ija n ALA 144 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ija s THR 145 N -1.34 -0.01 0.63 0.00 -1.32 -1.14 -2.96 115.64 109.50 1ija s THR 145 Ca 0.39 0.04 -0.18 0.00 -1.21 0.00 0.00 61.69 60.74 1ija s THR 145 Cb -0.03 -0.43 -0.03 0.00 -1.51 0.00 0.00 72.50 70.50 1ija s THR 145 CO 0.25 0.02 1.10 1.21 -2.21 0.00 0.00 174.62 174.99 1ija n GLU 146 N 3.36 0.94 0.00 7.08 2.13 -0.83 -2.14 120.64 131.18 1ija n GLU 146 Ca -0.17 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1ija n GLU 146 Cb 0.57 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.95 1ija n GLU 146 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ija n VAL 147 N -1.90 0.00 -1.92 6.31 0.31 -1.26 -4.85 118.33 115.01 1ija n VAL 147 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1ija n VAL 147 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 1ija n VAL 147 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80