#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 3.52 0.64 0.03 -0.21 -1.26 -4.97 119.66 117.40 1ija s GLN 2 Ca 0.00 1.39 -0.15 0.00 0.02 0.00 0.00 55.36 56.62 1ija s GLN 2 Cb 0.00 -4.12 -0.01 0.00 1.00 0.00 0.00 33.01 29.88 1ija s GLN 2 CO 0.00 -1.64 1.09 0.00 -2.12 0.00 0.00 175.29 172.63 1ija s ALA 3 N 6.11 2.56 0.45 6.09 0.00 -1.26 -4.95 121.76 130.76 1ija s ALA 3 Ca 0.74 0.49 -0.24 0.00 0.00 0.00 0.00 51.96 52.95 1ija s ALA 3 Cb -0.21 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1ija s ALA 3 CO 0.32 -1.13 1.20 0.36 0.00 0.00 0.00 175.76 176.51 1ija n LYS 4 N -2.31 1.70 0.00 0.00 2.85 -1.26 -4.97 118.16 114.17 1ija n LYS 4 Ca 0.10 0.61 0.00 0.00 -1.05 0.00 0.00 58.31 57.97 1ija n LYS 4 Cb 0.52 -2.32 0.00 0.00 -0.65 0.00 0.00 35.03 32.58 1ija n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ija n PRO 5 N -0.15 2.40 -1.93 -1.58 -0.02 -1.26 -4.61 135.00 127.84 1ija n PRO 5 Ca 0.08 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.17 1ija n PRO 5 Cb 0.41 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.86 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 2.64 -0.34 -0.52 -0.21 -1.26 -4.87 119.66 115.10 1ija s GLN 6 Ca 0.00 0.91 0.02 0.00 0.02 0.00 0.00 55.36 56.31 1ija s GLN 6 Cb 0.00 -4.40 0.15 0.00 1.00 0.00 0.00 33.01 29.77 1ija s GLN 6 CO 0.00 -2.70 0.39 0.42 -2.12 0.00 0.00 175.29 171.27 1ija s ILE 7 N 9.36 -0.47 1.05 1.08 1.01 -1.26 -4.71 121.20 127.26 1ija s ILE 7 Ca 0.76 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 60.58 1ija s ILE 7 Cb -0.15 -0.78 0.06 0.00 0.01 0.00 0.00 42.46 41.60 1ija s ILE 7 CO 0.24 -0.44 -0.25 -2.65 0.00 0.00 0.00 174.94 171.83 1ija n PRO 8 N 4.77 -1.41 -0.01 2.79 -0.02 -1.26 -4.95 135.00 134.91 1ija n PRO 8 Ca 0.06 -0.41 0.01 0.00 -2.02 0.00 0.00 63.50 61.14 1ija n PRO 8 Cb 0.47 -1.47 0.02 0.00 -0.02 0.00 0.00 33.50 32.50 1ija n PRO 8 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1ija n LYS 9 N -0.93 0.14 -2.44 -0.52 2.85 -1.26 -4.65 118.16 111.36 1ija n LYS 9 Ca 0.01 -0.88 -0.42 0.00 -1.05 0.00 0.00 58.31 55.98 1ija n LYS 9 Cb 0.57 -1.06 -0.03 0.00 -0.65 0.00 0.00 35.03 33.86 1ija n LYS 9 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1ija s ASP 10 N -0.40 6.20 0.00 -5.58 2.15 -1.26 -4.83 116.67 112.95 1ija s ASP 10 Ca 0.04 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.24 1ija s ASP 10 Cb 0.03 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1ija s ASP 10 CO 0.04 -1.66 0.31 0.29 -0.17 0.00 0.00 175.17 173.97 1ija n LYS 11 N 8.64 0.00 -2.37 4.34 5.02 -1.26 -1.79 118.16 130.74 1ija n LYS 11 Ca 0.11 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1ija n LYS 11 Cb 0.49 -1.31 0.04 0.00 -0.02 0.00 0.00 35.03 34.22 1ija n LYS 11 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ija n SER 12 N -0.81 3.34 -3.74 4.39 3.41 -1.26 -4.82 113.62 114.12 1ija n SER 12 Ca 0.00 -2.95 -0.14 0.00 -0.26 0.00 0.00 58.87 55.52 1ija n SER 12 Cb 0.00 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.46 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 -3.66 0.71 0.83 4.33 2.20 -0.74 -5.15 119.74 118.27 1ija s LYS 13 Ca 0.40 -0.18 -0.12 0.00 -0.36 0.00 0.00 55.97 55.70 1ija s LYS 13 Cb 0.37 0.32 0.10 0.00 -1.51 0.00 0.00 37.83 37.10 1ija s LYS 13 CO 0.00 -0.20 1.18 0.08 -0.36 0.00 0.00 175.35 176.05 1ija s VAL 14 N -1.41 2.14 0.00 4.02 1.01 -1.26 -4.42 120.40 120.47 1ija s VAL 14 Ca -0.13 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1ija s VAL 14 Cb -0.04 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1ija s VAL 14 CO 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.09 1ija n ALA 15 N -3.56 0.79 -3.78 5.51 0.00 -1.12 -4.80 120.51 113.56 1ija n ALA 15 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.50 1ija n ALA 15 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.29 1.75 3.07 0.00 0.00 -1.24 -4.39 105.19 104.68 1ija n GLY 16 Ca 0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.28 -0.51 0.05 1.61 2.02 0.12 -2.99 117.35 114.36 1ija s TYR 17 Ca 0.19 1.10 -0.11 0.00 -0.37 0.00 0.00 57.07 57.89 1ija s TYR 17 Cb -0.02 0.04 -0.06 0.00 -0.40 0.00 0.00 41.96 41.52 1ija s TYR 17 CO 0.14 -0.38 0.38 -1.50 -1.57 0.00 0.00 175.55 172.62 1ija s ILE 18 N 2.46 5.11 -0.11 2.71 1.10 -0.50 -0.33 121.20 131.64 1ija s ILE 18 Ca 0.01 0.52 -0.07 0.00 -0.51 0.00 0.00 60.65 60.60 1ija s ILE 18 Cb -0.12 -3.65 0.04 0.00 0.15 0.00 0.00 42.46 38.89 1ija s ILE 18 CO -0.09 0.37 0.27 -0.70 -2.11 0.00 0.00 174.94 172.68 1ija s GLU 19 N -1.67 0.26 -0.11 3.50 2.12 -0.88 -2.49 118.70 119.43 1ija s GLU 19 Ca 0.30 0.52 -0.04 0.00 0.36 0.00 0.00 54.97 56.11 1ija s GLU 19 Cb -0.14 -0.04 0.05 0.00 0.26 0.00 0.00 34.13 34.26 1ija s GLU 19 CO 0.16 -0.13 0.23 0.42 -0.54 0.00 0.00 175.26 175.40 1ija s ILE 20 N 1.00 -0.25 0.06 -3.70 1.01 -0.69 -2.02 121.20 116.62 1ija s ILE 20 Ca -0.07 0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.70 1ija s ILE 20 Cb -0.08 -0.37 -0.28 0.00 0.01 0.00 0.00 42.46 41.73 1ija s ILE 20 CO -0.07 0.10 1.12 1.55 0.00 0.00 0.00 174.94 177.65 1ija h PRO 21 N 7.91 0.60 -0.28 2.79 0.13 -1.88 0.31 132.00 141.57 1ija h PRO 21 Ca -0.24 -0.79 0.08 0.00 -0.87 0.00 0.00 66.00 64.18 1ija h PRO 21 Cb 1.13 0.26 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 1ija h PRO 21 CO 0.23 1.36 0.49 -0.44 -0.23 0.00 0.00 178.00 179.40 1ija h ASP 22 N 0.27 0.00 0.00 1.44 5.19 -1.97 0.24 116.42 121.60 1ija h ASP 22 Ca -0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1ija h ASP 22 Cb 1.89 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.40 1ija h ASP 22 CO 0.23 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.35 1ija n ALA 23 N -2.12 1.60 -3.56 3.45 0.00 -1.21 -4.21 120.51 114.46 1ija n ALA 23 Ca 0.05 -0.54 -0.26 0.00 0.00 0.00 0.00 53.44 52.69 1ija n ALA 23 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.14 -4.51 -4.83 0.00 5.68 0.79 -4.75 116.55 108.79 1ija n ASP 24 Ca 0.00 -0.55 -0.35 0.00 -0.50 0.00 0.00 54.79 53.39 1ija n ASP 24 Cb 0.20 -3.66 -0.06 0.00 -1.14 0.00 0.00 41.12 36.46 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 -3.12 4.63 -0.43 2.12 1.09 0.51 -4.89 121.20 121.11 1ija s ILE 25 Ca 0.51 1.14 0.01 0.00 -1.10 0.00 0.00 60.65 61.21 1ija s ILE 25 Cb -0.26 -3.78 0.20 0.00 -1.06 0.00 0.00 42.46 37.56 1ija s ILE 25 CO 0.62 0.11 0.86 -1.59 -0.10 0.00 0.00 174.94 174.84 1ija s LYS 26 N -2.24 0.68 0.05 2.79 -2.85 -1.25 -1.70 119.74 115.22 1ija s LYS 26 Ca 0.45 -0.58 -0.00 0.00 -1.00 0.00 0.00 55.97 54.84 1ija s LYS 26 Cb -0.15 -0.01 -0.03 0.00 -2.06 0.00 0.00 37.83 35.58 1ija s LYS 26 CO 0.20 -0.87 -0.04 -1.21 0.10 0.00 0.00 175.35 173.53 1ija s GLU 27 N 1.17 0.56 0.55 1.78 8.01 -1.04 -4.97 118.70 124.75 1ija s GLU 27 Ca 0.24 -1.05 -0.04 0.00 0.01 0.00 0.00 54.97 54.13 1ija s GLU 27 Cb 0.04 0.11 0.00 0.00 -4.31 0.00 0.00 34.13 29.97 1ija s GLU 27 CO -0.08 -0.07 0.84 -1.25 0.01 0.00 0.00 175.26 174.71 1ija s PRO 28 N -3.16 2.98 -0.06 0.39 0.04 -1.26 -1.40 135.00 132.53 1ija s PRO 28 Ca 0.01 -0.11 0.02 0.00 0.04 0.00 0.00 61.00 60.95 1ija s PRO 28 Cb 0.02 -2.35 0.02 0.00 0.04 0.00 0.00 34.50 32.23 1ija s PRO 28 CO -0.07 -0.58 -0.11 0.14 0.04 0.00 0.00 177.00 176.43 1ija s VAL 29 N -2.87 1.01 0.33 -0.36 -7.23 -1.16 -3.66 120.40 106.46 1ija s VAL 29 Ca 0.52 -0.40 -0.11 0.00 -1.81 0.00 0.00 61.98 60.18 1ija s VAL 29 Cb -0.10 -0.94 -0.07 0.00 0.56 0.00 0.00 36.38 35.82 1ija s VAL 29 CO 0.43 0.33 0.69 -0.31 -0.31 0.00 0.00 175.10 175.94 1ija s TYR 30 N 0.73 3.43 -0.78 2.82 2.02 -0.89 -2.79 117.35 121.89 1ija s TYR 30 Ca -0.14 1.02 -0.26 0.00 -0.37 0.00 0.00 57.07 57.33 1ija s TYR 30 Cb -0.15 -2.40 0.02 0.00 -0.40 0.00 0.00 41.96 39.03 1ija s TYR 30 CO 0.03 0.06 1.40 -1.25 -1.57 0.00 0.00 175.55 174.22 1ija s PRO 31 N -3.35 3.17 0.00 -1.71 0.04 -1.26 -3.16 135.00 128.72 1ija s PRO 31 Ca 0.51 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1ija s PRO 31 Cb -0.10 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 30.00 1ija s PRO 31 CO 0.25 -2.27 0.00 0.41 0.04 0.00 0.00 177.00 175.42 1ija n GLY 32 N 5.73 -1.21 3.64 0.56 0.00 -1.26 -4.22 105.19 108.44 1ija n GLY 32 Ca 0.12 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1ija n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ija s PRO 33 N -1.67 4.13 -0.83 1.61 0.04 -1.26 -3.27 135.00 133.74 1ija s PRO 33 Ca 0.00 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 1ija s PRO 33 Cb 0.00 -3.70 -0.26 0.00 0.04 0.00 0.00 34.50 30.58 1ija s PRO 33 CO 0.00 -0.78 2.04 0.00 0.04 0.00 0.00 177.00 178.29 1ija n ALA 34 N 6.61 0.88 -2.74 8.56 0.00 -0.16 -4.85 120.51 128.82 1ija n ALA 34 Ca 0.11 -0.99 -0.27 0.00 0.00 0.00 0.00 53.44 52.29 1ija n ALA 34 Cb 0.47 -2.32 -0.07 0.00 0.00 0.00 0.00 19.45 17.53 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 3.12 4.19 0.16 0.00 -4.23 -1.26 -4.98 115.64 112.63 1ija s THR 35 Ca 1.06 -1.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.31 1ija s THR 35 Cb -0.59 -3.10 0.02 0.00 1.34 0.00 0.00 72.50 70.18 1ija s THR 35 CO 0.40 -0.05 1.59 1.55 -0.54 0.00 0.00 174.62 177.57 1ija h PRO 36 N 2.74 0.93 0.00 3.99 0.13 -1.98 0.28 132.00 138.09 1ija h PRO 36 Ca -0.47 -0.32 -0.01 0.00 -0.87 0.00 0.00 66.00 64.33 1ija h PRO 36 Cb 1.19 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ija h PRO 36 CO 0.61 0.97 -0.04 1.05 -0.23 0.00 0.00 178.00 180.36 1ija h GLU 37 N 0.79 0.00 0.00 0.86 -0.00 -1.98 -2.50 114.58 111.76 1ija h GLU 37 Ca 0.14 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 59.26 1ija h GLU 37 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.29 1ija h GLU 37 CO 0.03 0.04 -1.60 0.94 -0.00 0.00 0.00 179.01 178.42 1ija n GLN 38 N -3.36 0.55 0.05 1.06 0.00 -1.03 -4.17 117.38 110.47 1ija n GLN 38 Ca -0.02 0.36 0.19 0.00 -0.00 0.00 0.00 57.00 57.53 1ija n GLN 38 Cb 0.17 -1.57 0.48 0.00 0.00 0.00 0.00 30.24 29.32 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 -1.00 0.00 -1.94 1.69 3.38 -0.41 2.24 115.31 119.27 1ija h LEU 39 Ca -0.36 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1ija h LEU 39 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1ija h LEU 39 CO -0.22 0.00 -0.11 0.78 0.09 0.00 0.00 178.44 178.98 1ija h ASN 40 N 0.00 0.00 1.25 -0.43 4.21 -1.61 0.50 115.58 119.50 1ija h ASN 40 Ca 0.25 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.76 1ija h ASN 40 Cb 1.97 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.17 1ija h ASN 40 CO -0.00 0.11 -0.35 0.03 -1.29 0.00 0.00 177.43 175.93 1ija h ARG 41 N 0.00 0.00 0.00 0.81 3.08 0.35 -3.50 114.38 115.13 1ija h ARG 41 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ija h ARG 41 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1ija h ARG 41 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 1ija n GLY 42 N 1.28 -0.25 3.97 0.04 0.00 0.17 -5.11 105.19 105.28 1ija n GLY 42 Ca 0.04 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.84 5.26 0.02 1.61 1.01 -1.24 -4.30 120.40 118.91 1ija s VAL 43 Ca 0.00 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 1ija s VAL 43 Cb 0.00 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1ija s VAL 43 CO 0.00 -0.31 0.50 -0.55 0.00 0.00 0.00 175.10 174.75 1ija s SER 44 N -3.89 -0.42 0.93 3.32 0.15 -1.18 -2.10 113.70 110.51 1ija s SER 44 Ca 0.34 0.25 -0.11 0.00 0.70 0.00 0.00 55.95 57.14 1ija s SER 44 Cb -0.09 0.46 0.13 0.00 -1.71 0.00 0.00 66.02 64.81 1ija s SER 44 CO 0.29 -0.64 1.02 0.49 1.20 0.00 0.00 173.24 175.59 1ija n PHE 45 N 0.67 0.42 1.07 3.44 3.72 -1.19 -2.19 117.46 123.39 1ija n PHE 45 Ca -0.19 0.36 0.11 0.00 -0.05 0.00 0.00 57.45 57.68 1ija n PHE 45 Cb 0.59 -1.96 0.57 0.00 -0.94 0.00 0.00 39.48 37.75 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 -4.17 2.17 -3.37 4.37 0.00 0.47 -0.99 120.51 119.00 1ija n ALA 46 Ca 0.11 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1ija n ALA 46 Cb 0.52 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.62 0.84 0.32 0.00 2.02 -1.25 -4.01 118.70 114.00 1ija s GLU 47 Ca 0.21 0.05 0.02 0.00 0.02 0.00 0.00 54.97 55.26 1ija s GLU 47 Cb 0.16 0.39 0.53 0.00 0.10 0.00 0.00 34.13 35.30 1ija s GLU 47 CO 0.36 -0.24 1.89 1.05 0.02 0.00 0.00 175.26 178.33 1ija h GLU 48 N 3.55 0.71 -0.59 1.61 9.09 -1.85 -2.46 114.58 124.63 1ija h GLU 48 Ca -0.28 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 59.00 1ija h GLU 48 Cb 1.16 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 1ija h GLU 48 CO 0.39 0.63 0.00 0.27 0.05 0.00 0.00 179.01 180.34 1ija n ASN 49 N -4.31 2.30 -4.76 3.06 0.23 -1.26 -4.46 115.26 106.05 1ija n ASN 49 Ca 0.03 -2.20 -0.38 0.00 -0.53 0.00 0.00 54.58 51.50 1ija n ASN 49 Cb 0.19 -0.40 0.01 0.00 -2.08 0.00 0.00 39.78 37.50 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 -1.66 3.60 0.03 -3.83 -6.30 -0.93 -4.98 118.70 104.64 1ija s GLU 50 Ca 0.21 2.09 -0.12 0.00 -2.50 0.00 0.00 54.97 54.64 1ija s GLU 50 Cb 0.14 -2.47 0.01 0.00 0.00 0.00 0.00 34.13 31.81 1ija s GLU 50 CO 0.09 -0.77 0.26 -1.54 0.02 0.00 0.00 175.26 173.32 1ija s SER 51 N -0.98 -0.08 0.00 -1.70 1.04 -1.26 -4.98 113.70 105.74 1ija s SER 51 Ca 0.64 -0.19 0.11 0.00 0.48 0.00 0.00 55.95 56.99 1ija s SER 51 Cb -0.36 0.31 0.56 0.00 0.10 0.00 0.00 66.02 66.63 1ija s SER 51 CO 0.45 -0.54 1.21 0.00 0.98 0.00 0.00 173.24 175.33 1ija n LEU 52 N 0.82 0.00 0.03 2.42 -0.00 -1.26 -0.70 117.00 118.32 1ija n LEU 52 Ca -0.20 0.23 0.11 0.00 -0.00 0.00 0.00 56.01 56.16 1ija n LEU 52 Cb 0.58 -0.23 -0.05 0.00 -0.00 0.00 0.00 43.42 43.72 1ija n LEU 52 CO 0.22 -0.15 -0.22 0.47 -0.00 0.00 0.00 177.39 177.70 1ija n ASP 53 N -1.23 0.51 -4.63 1.45 9.92 -1.26 -4.88 116.55 116.43 1ija n ASP 53 Ca 0.06 -0.04 -0.43 0.00 -0.53 0.00 0.00 54.79 53.84 1ija n ASP 53 Cb 0.08 1.07 -0.03 0.00 -0.64 0.00 0.00 41.12 41.60 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 -2.22 3.66 0.33 -2.24 -0.08 0.12 -4.75 116.55 111.38 1ija n ASP 54 Ca -0.00 0.60 0.07 0.00 -1.51 0.00 0.00 54.79 53.95 1ija n ASP 54 Cb 0.50 -1.52 0.37 0.00 2.34 0.00 0.00 41.12 42.81 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 12.40 0.00 -3.87 -0.67 4.15 -1.88 -3.30 115.11 121.94 1ija h GLN 55 Ca -0.45 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.44 1ija h GLN 55 Cb 1.25 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 28.55 1ija h GLN 55 CO 0.95 0.00 -0.78 1.21 -1.93 0.00 0.00 178.83 178.29 1ija s ASN 56 N -3.63 2.76 0.03 -0.69 3.84 -1.26 -3.11 114.94 112.89 1ija s ASN 56 Ca -0.01 -0.68 -0.07 0.00 0.21 0.00 0.00 52.86 52.30 1ija s ASN 56 Cb 0.04 -0.74 -0.05 0.00 -0.55 0.00 0.00 41.25 39.95 1ija s ASN 56 CO 0.12 -0.24 0.31 -0.63 -2.79 0.00 0.00 177.10 173.87 1ija s ILE 57 N 1.75 5.24 -0.24 -5.21 1.01 -1.17 -4.95 121.20 117.63 1ija s ILE 57 Ca 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.83 1ija s ILE 57 Cb -0.16 -3.59 0.09 0.00 0.01 0.00 0.00 42.46 38.81 1ija s ILE 57 CO -0.07 0.32 0.15 -0.94 0.00 0.00 0.00 174.94 174.40 1ija s SER 58 N -1.78 2.66 0.23 3.58 1.04 -1.25 -1.29 113.70 116.87 1ija s SER 58 Ca 0.30 -0.87 0.06 0.00 0.48 0.00 0.00 55.95 55.91 1ija s SER 58 Cb -0.13 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 1ija s SER 58 CO 0.17 -0.39 0.26 -0.63 0.98 0.00 0.00 173.24 173.63 1ija s ILE 59 N 2.17 4.83 -0.08 -1.02 1.01 -0.80 0.18 121.20 127.50 1ija s ILE 59 Ca 0.07 -1.14 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1ija s ILE 59 Cb -0.16 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.74 1ija s ILE 59 CO -0.25 -0.29 -0.14 0.00 0.00 0.00 0.00 174.94 174.26 1ija s ALA 60 N -1.99 1.47 0.02 9.38 0.00 -0.93 -0.41 121.76 129.30 1ija s ALA 60 Ca 0.33 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1ija s ALA 60 Cb -0.09 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1ija s ALA 60 CO 0.27 0.10 -0.03 0.20 0.00 0.00 0.00 175.76 176.30 1ija s GLY 61 N 0.69 0.23 0.00 0.00 0.00 -0.50 -3.11 107.32 104.63 1ija s GLY 61 Ca -0.14 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1ija s GLY 61 CO 0.04 -0.61 0.00 1.42 0.00 0.00 0.00 173.10 173.95 1ija n HIS 62 N 1.73 -1.40 -2.76 1.90 8.25 -1.25 -1.03 115.22 120.67 1ija n HIS 62 Ca -0.23 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.20 1ija n HIS 62 Cb 0.55 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.68 1ija n HIS 62 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1ija s THR 63 N -0.35 -0.78 -0.50 1.59 -1.32 -1.26 -0.65 115.64 112.37 1ija s THR 63 Ca 0.00 -0.74 -0.24 0.00 -1.21 0.00 0.00 61.69 59.51 1ija s THR 63 Cb 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 72.50 71.02 1ija s THR 63 CO 0.00 0.00 0.86 -0.36 -2.21 0.00 0.00 174.62 172.91 1ija s PHE 64 N 0.95 2.91 0.52 9.09 0.40 -1.26 -4.84 117.98 125.75 1ija s PHE 64 Ca 0.28 0.07 0.16 0.00 -0.60 0.00 0.00 56.93 56.84 1ija s PHE 64 Cb 0.03 -3.86 1.28 0.00 0.51 0.00 0.00 43.02 40.98 1ija s PHE 64 CO -0.07 -1.15 2.15 0.82 0.70 0.00 0.00 175.22 177.67 1ija h ILE 65 N 6.00 0.99 -0.08 0.64 2.04 -1.96 0.59 117.51 125.73 1ija h ILE 65 Ca -0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1ija h ILE 65 Cb 1.08 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1ija h ILE 65 CO 1.02 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 178.27 1ija n ASP 66 N -4.53 0.73 -3.13 1.72 5.75 -1.26 -4.12 116.55 111.71 1ija n ASP 66 Ca -0.03 -2.03 -0.20 0.00 -0.01 0.00 0.00 54.79 52.53 1ija n ASP 66 Cb 0.09 -0.17 -0.05 0.00 -1.03 0.00 0.00 41.12 39.96 1ija n ASP 66 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ija n ARG 67 N -0.17 0.49 0.00 0.11 5.12 0.20 -4.99 116.66 117.43 1ija n ARG 67 Ca 0.03 -2.80 0.00 0.00 -1.93 0.00 0.00 57.85 53.15 1ija n ARG 67 Cb 0.14 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 1ija n ARG 67 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1ija n PRO 68 N 2.23 0.00 -3.09 5.56 -0.02 -1.26 -2.09 135.00 136.33 1ija n PRO 68 Ca 0.22 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.54 1ija n PRO 68 Cb 0.53 -1.09 -0.01 0.00 -0.02 0.00 0.00 33.50 32.91 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 -0.30 0.40 -3.49 2.55 0.23 -1.26 -4.77 115.26 108.62 1ija n ASN 69 Ca 0.00 -3.08 -0.23 0.00 -0.53 0.00 0.00 54.58 50.74 1ija n ASN 69 Cb 0.00 -0.25 -0.13 0.00 -2.08 0.00 0.00 39.78 37.32 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 -2.07 -0.08 0.00 -2.53 5.04 -0.89 -4.97 117.35 111.85 1ija s TYR 70 Ca 0.37 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.63 1ija s TYR 70 Cb 0.35 -0.63 0.00 0.00 0.35 0.00 0.00 41.96 42.03 1ija s TYR 70 CO -0.07 -0.79 0.00 1.04 -1.34 0.00 0.00 175.55 174.39 1ija n GLN 71 N 5.29 0.00 -1.95 4.97 1.13 -1.26 -2.51 117.38 123.05 1ija n GLN 71 Ca -0.05 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.61 1ija n GLN 71 Cb 0.46 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.80 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 14.00 2.72 -0.01 1.08 7.35 0.18 -4.48 117.46 138.29 1ija n PHE 72 Ca 0.00 -2.87 -0.12 0.00 -0.76 0.00 0.00 57.45 53.70 1ija n PHE 72 Cb 0.00 -2.02 -0.14 0.00 0.35 0.00 0.00 39.48 37.67 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 3.06 0.83 0.00 -2.13 2.02 -1.62 -3.37 112.91 111.70 1ija h THR 73 Ca 0.64 -2.64 0.00 0.00 0.77 0.00 0.00 66.41 65.18 1ija h THR 73 Cb 0.41 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1ija h THR 73 CO 1.60 0.61 -0.00 -0.46 0.37 0.00 0.00 175.52 177.64 1ija n ASN 74 N -3.18 0.00 0.02 4.18 6.94 -1.26 -4.78 115.26 117.18 1ija n ASN 74 Ca -0.20 -1.01 0.01 0.00 -0.02 0.00 0.00 54.58 53.36 1ija n ASN 74 Cb 1.05 -0.00 0.05 0.00 -2.36 0.00 0.00 39.78 38.52 1ija n ASN 74 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1ija n LEU 75 N 0.00 0.05 0.11 -4.53 0.00 -1.26 0.24 117.00 111.61 1ija n LEU 75 Ca 0.00 0.42 0.05 0.00 0.00 0.00 0.00 56.01 56.48 1ija n LEU 75 Cb 0.50 -0.42 0.01 0.00 0.00 0.00 0.00 43.42 43.51 1ija n LEU 75 CO 0.00 -0.44 0.18 0.07 0.00 0.00 0.00 177.39 177.21 1ija h LYS 76 N 0.00 0.00 0.00 1.96 2.10 -1.90 -3.17 116.57 115.56 1ija h LYS 76 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1ija h LYS 76 Cb 0.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 1ija h LYS 76 CO 0.00 0.25 -0.33 0.00 -2.00 0.00 0.00 179.45 177.37 1ija h ALA 77 N 1.65 1.36 -3.00 0.07 0.00 0.28 -3.42 119.26 116.21 1ija h ALA 77 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ija h ALA 77 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ija h ALA 77 CO 0.04 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1ija n ALA 78 N -2.44 0.00 -3.58 0.00 0.00 -1.18 -4.97 120.51 108.35 1ija n ALA 78 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 1ija n ALA 78 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 0.62 -0.77 0.00 -2.85 -1.26 -5.04 119.74 110.44 1ija s LYS 79 Ca 0.00 -0.26 -0.24 0.00 -1.00 0.00 0.00 55.97 54.47 1ija s LYS 79 Cb 0.00 0.26 -0.17 0.00 -2.06 0.00 0.00 37.83 35.86 1ija s LYS 79 CO 0.00 -0.27 2.43 1.63 0.10 0.00 0.00 175.35 179.24 1ija n LYS 80 N -0.24 0.51 0.00 1.78 5.02 -1.26 -1.13 118.16 122.84 1ija n LYS 80 Ca -0.05 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 1ija n LYS 80 Cb 0.60 -2.72 0.00 0.00 -0.02 0.00 0.00 35.03 32.89 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 6.26 0.63 3.62 0.72 0.00 0.10 -4.85 105.19 111.66 1ija n GLY 81 Ca 0.51 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.10 1ija n GLY 81 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ija s SER 82 N 0.00 5.97 1.31 1.61 0.15 -0.29 -4.63 113.70 117.83 1ija s SER 82 Ca 0.00 1.95 -0.18 0.00 0.70 0.00 0.00 55.95 58.42 1ija s SER 82 Cb 0.00 -2.52 0.27 0.00 -1.71 0.00 0.00 66.02 62.06 1ija s SER 82 CO 0.00 -1.54 0.72 0.23 1.20 0.00 0.00 173.24 173.85 1ija n MET 83 N 8.16 -3.71 -3.48 5.44 0.00 -1.26 -2.96 117.12 119.30 1ija n MET 83 Ca 0.24 -1.19 -0.20 0.00 0.00 0.00 0.00 57.70 56.56 1ija n MET 83 Cb 0.44 -1.38 -0.12 0.00 0.00 0.00 0.00 33.22 32.16 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 -2.06 -0.31 -0.57 2.03 1.01 -1.09 -4.76 120.40 114.65 1ija s VAL 84 Ca 0.52 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.01 1ija s VAL 84 Cb -0.08 -0.79 0.08 0.00 0.00 0.00 0.00 36.38 35.59 1ija s VAL 84 CO 0.42 -0.34 0.73 -0.31 0.00 0.00 0.00 175.10 175.60 1ija s TYR 85 N 2.30 2.95 -0.33 5.22 1.51 -0.85 -2.55 117.35 125.60 1ija s TYR 85 Ca 0.08 -0.68 -0.16 0.00 -1.01 0.00 0.00 57.07 55.30 1ija s TYR 85 Cb -0.15 -3.88 -0.01 0.00 -0.11 0.00 0.00 41.96 37.80 1ija s TYR 85 CO -0.21 -1.26 0.40 0.12 -1.11 0.00 0.00 175.55 173.50 1ija s PHE 86 N 2.95 3.21 -0.03 2.71 5.36 -1.09 -2.08 117.98 129.01 1ija s PHE 86 Ca 0.16 0.09 -0.02 0.00 -0.96 0.00 0.00 56.93 56.20 1ija s PHE 86 Cb -0.20 -2.71 -0.04 0.00 -0.34 0.00 0.00 43.02 39.72 1ija s PHE 86 CO 0.10 -0.42 0.11 0.21 -1.46 0.00 0.00 175.22 173.75 1ija s LYS 87 N 2.11 3.20 -0.28 10.12 2.20 0.55 -0.76 119.74 136.88 1ija s LYS 87 Ca 0.14 -0.38 -0.25 0.00 -0.36 0.00 0.00 55.97 55.12 1ija s LYS 87 Cb -0.16 -2.96 0.13 0.00 -1.51 0.00 0.00 37.83 33.33 1ija s LYS 87 CO 0.12 0.68 1.08 0.54 -0.36 0.00 0.00 175.35 177.41 1ija s VAL 88 N -1.16 0.00 0.00 4.02 0.11 -1.13 0.13 120.40 122.37 1ija s VAL 88 Ca 0.21 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1ija s VAL 88 Cb -0.12 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1ija s VAL 88 CO 0.12 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 1ija n GLY 89 N 2.10 0.40 0.45 6.54 0.00 -1.26 -2.02 105.19 111.40 1ija n GLY 89 Ca -0.12 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1ija n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ija n ASN 90 N 6.85 0.00 -4.03 1.61 2.85 -1.26 -5.09 115.26 116.19 1ija n ASN 90 Ca 0.00 -1.45 -0.19 0.00 -0.11 0.00 0.00 54.58 52.83 1ija n ASN 90 Cb 0.00 -0.09 -0.15 0.00 1.24 0.00 0.00 39.78 40.78 1ija n ASN 90 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1ija s GLU 91 N 0.00 0.77 -0.12 1.20 8.01 -0.85 -5.14 118.70 122.57 1ija s GLU 91 Ca 0.00 -0.34 -0.00 0.00 0.01 0.00 0.00 54.97 54.64 1ija s GLU 91 Cb 0.00 -0.75 -0.02 0.00 -4.31 0.00 0.00 34.13 29.05 1ija s GLU 91 CO 0.00 0.20 -0.10 -0.08 0.01 0.00 0.00 175.26 175.29 1ija s THR 92 N -0.20 3.32 0.51 3.63 -1.32 -1.26 -2.84 115.64 117.48 1ija s THR 92 Ca 0.03 -0.58 0.01 0.00 -1.21 0.00 0.00 61.69 59.94 1ija s THR 92 Cb -0.04 -2.39 0.02 0.00 -1.51 0.00 0.00 72.50 68.58 1ija s THR 92 CO -0.00 0.53 0.74 -0.13 -2.21 0.00 0.00 174.62 173.55 1ija s ARG 93 N 0.09 2.76 -0.35 7.08 1.81 0.06 -4.91 118.95 125.48 1ija s ARG 93 Ca -0.04 -0.63 0.03 0.00 -1.72 0.00 0.00 55.73 53.36 1ija s ARG 93 Cb -0.14 -2.51 0.15 0.00 -0.45 0.00 0.00 34.95 32.00 1ija s ARG 93 CO 0.04 -0.54 0.37 -1.59 -0.68 0.00 0.00 175.30 172.90 1ija s LYS 94 N -4.69 0.57 0.69 3.54 -2.85 -1.26 -2.66 119.74 113.08 1ija s LYS 94 Ca 0.54 -0.65 -0.05 0.00 -1.00 0.00 0.00 55.97 54.80 1ija s LYS 94 Cb -0.10 -0.66 0.15 0.00 -2.06 0.00 0.00 37.83 35.15 1ija s LYS 94 CO 0.38 -1.15 0.94 0.66 0.10 0.00 0.00 175.35 176.28 1ija n TYR 95 N 4.51 -3.39 -3.62 1.78 4.02 -1.06 -4.50 117.16 114.92 1ija n TYR 95 Ca 0.08 -1.29 -0.28 0.00 -0.01 0.00 0.00 57.90 56.40 1ija n TYR 95 Cb 0.46 -0.71 -0.16 0.00 -0.02 0.00 0.00 39.34 38.91 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 -4.96 0.26 -0.29 -0.72 2.20 -1.02 -2.68 119.74 112.53 1ija s LYS 96 Ca 0.58 -0.40 -0.37 0.00 -0.36 0.00 0.00 55.97 55.43 1ija s LYS 96 Cb -0.03 -1.64 -0.13 0.00 -1.51 0.00 0.00 37.83 34.52 1ija s LYS 96 CO 0.40 -0.83 1.98 -0.12 -0.36 0.00 0.00 175.35 176.42 1ija n MET 97 N 5.19 1.23 -0.77 4.03 0.00 -1.16 -2.81 117.12 122.83 1ija n MET 97 Ca -0.06 0.40 -0.03 0.00 -0.00 0.00 0.00 57.70 58.01 1ija n MET 97 Cb 0.45 -2.32 -0.03 0.00 0.00 0.00 0.00 33.22 31.32 1ija n MET 97 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1ija n THR 98 N 5.94 0.00 -3.51 1.12 5.66 -1.24 0.02 114.28 122.26 1ija n THR 98 Ca 0.34 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.28 1ija n THR 98 Cb 0.19 0.30 -0.04 0.00 -1.55 0.00 0.00 70.33 69.23 1ija n THR 98 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1ija s SER 99 N -0.60 -0.89 0.26 1.09 0.01 -0.70 -5.01 113.70 107.86 1ija s SER 99 Ca 0.02 1.18 0.04 0.00 1.31 0.00 0.00 55.95 58.50 1ija s SER 99 Cb 0.02 2.00 -0.05 0.00 0.21 0.00 0.00 66.02 68.20 1ija s SER 99 CO -0.01 -0.17 0.02 -0.63 0.41 0.00 0.00 173.24 172.86 1ija s ILE 100 N 2.70 1.06 0.00 1.44 1.01 -1.26 0.61 121.20 126.75 1ija s ILE 100 Ca -0.04 -2.03 0.00 0.00 0.00 0.00 0.00 60.65 58.59 1ija s ILE 100 Cb -0.09 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1ija s ILE 100 CO -0.18 -0.22 0.00 0.54 0.00 0.00 0.00 174.94 175.08 1ija n ARG 101 N -0.49 0.00 -2.12 2.79 1.74 -1.16 -4.90 116.66 112.52 1ija n ARG 101 Ca -0.04 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.03 1ija n ARG 101 Cb 0.65 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.09 1ija n ARG 101 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ija n ASP 102 N -2.22 -0.95 -3.64 0.55 5.68 -0.95 -4.83 116.55 110.19 1ija n ASP 102 Ca 0.00 0.36 -0.16 0.00 -0.50 0.00 0.00 54.79 54.49 1ija n ASP 102 Cb 0.00 -1.04 -0.14 0.00 -1.14 0.00 0.00 41.12 38.80 1ija n ASP 102 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ija s VAL 103 N -1.80 -0.33 -0.14 2.12 0.11 -1.26 -4.78 120.40 114.32 1ija s VAL 103 Ca 0.00 0.24 -0.06 0.00 -2.93 0.00 0.00 61.98 59.24 1ija s VAL 103 Cb 0.00 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.45 1ija s VAL 103 CO 0.00 0.07 0.11 0.29 -3.33 0.00 0.00 175.10 172.25 1ija n LYS 104 N 5.33 -3.05 -1.87 1.54 4.01 -1.26 -4.67 118.16 118.19 1ija n LYS 104 Ca -0.05 2.46 -0.40 0.00 -0.51 0.00 0.00 58.31 59.80 1ija n LYS 104 Cb 0.50 -3.53 -0.03 0.00 -0.51 0.00 0.00 35.03 31.46 1ija n LYS 104 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1ija n PRO 105 N 1.72 2.36 -1.79 1.97 -0.04 -1.26 -4.03 135.00 133.93 1ija n PRO 105 Ca -0.19 -2.56 -0.01 0.00 -0.04 0.00 0.00 63.50 60.70 1ija n PRO 105 Cb 0.35 -3.34 0.00 0.00 -0.04 0.00 0.00 33.50 30.48 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 6.20 0.00 -0.07 0.52 5.66 -1.26 -4.81 114.28 120.52 1ija n THR 106 Ca 0.49 -0.18 -0.09 0.00 -3.05 0.00 0.00 64.05 61.23 1ija n THR 106 Cb 0.43 0.54 -0.07 0.00 -1.55 0.00 0.00 70.33 69.68 1ija n THR 106 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1ija h ASP 107 N 0.27 0.00 -0.10 1.09 3.58 -1.89 -3.43 116.42 115.94 1ija h ASP 107 Ca -0.14 -0.48 -0.18 0.00 0.42 0.00 0.00 57.03 56.65 1ija h ASP 107 Cb 1.06 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 41.79 1ija h ASP 107 CO -0.05 0.85 -0.87 1.33 -2.88 0.00 0.00 179.24 177.62 1ija n VAL 108 N -4.65 0.30 -0.50 2.25 0.24 -1.26 -5.06 118.33 109.64 1ija n VAL 108 Ca -0.09 -1.28 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 1ija n VAL 108 Cb 0.31 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 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 -0.01 -0.82 0.24 7.63 0.00 -1.26 -4.72 105.19 106.25 1ija n GLY 109 Ca -0.01 -0.71 0.16 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.03 1.61 2.07 -1.95 -3.12 116.25 113.82 1ija h VAL 110 Ca 0.00 -0.35 -0.39 0.00 0.82 0.00 0.00 66.70 66.78 1ija h VAL 110 Cb 0.00 1.25 -0.40 0.00 -1.52 0.00 0.00 31.29 30.62 1ija h VAL 110 CO 0.00 0.00 -1.12 0.18 0.02 0.00 0.00 177.57 176.65 1ija n LEU 111 N -2.83 2.00 -4.58 2.57 4.77 -1.26 -5.04 117.00 112.63 1ija n LEU 111 Ca 0.00 -3.90 -0.42 0.00 -0.03 0.00 0.00 56.01 51.66 1ija n LEU 111 Cb 0.24 0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1ija n LEU 111 CO 0.23 1.63 0.43 -1.81 -1.33 0.00 0.00 177.39 176.55 1ija s ASP 112 N -3.24 6.48 -0.10 -1.43 1.11 -1.18 -4.89 116.67 113.41 1ija s ASP 112 Ca 0.31 0.27 0.05 0.00 0.18 0.00 0.00 52.55 53.36 1ija s ASP 112 Cb 0.44 -2.34 0.32 0.00 1.07 0.00 0.00 42.92 42.41 1ija s ASP 112 CO -0.00 -0.59 1.01 -1.84 1.18 0.00 0.00 175.17 174.93 1ija n GLU 113 N 6.08 2.49 -0.83 8.23 0.00 -1.26 -3.35 120.64 131.99 1ija n GLU 113 Ca -0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 57.16 55.92 1ija n GLU 113 Cb 0.49 -1.79 -0.01 0.00 0.00 0.00 0.00 31.44 30.13 1ija n GLU 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ija n GLN 114 N 0.23 0.00 -0.25 3.44 0.00 -1.26 -4.71 117.38 114.83 1ija n GLN 114 Ca 0.12 -0.95 0.29 0.00 0.00 0.00 0.00 57.00 56.45 1ija n GLN 114 Cb 0.64 -0.04 0.44 0.00 0.00 0.00 0.00 30.24 31.28 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 0.11 0.01 -0.50 2.61 5.02 -1.21 -4.66 118.16 119.54 1ija n LYS 115 Ca -0.05 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1ija n LYS 115 Cb 0.75 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 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 -1.68 0.75 0.00 0.72 0.00 -1.26 -5.03 105.19 98.69 1ija n GLY 116 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.19 2.84 -4.52 1.61 5.02 -1.26 -5.13 118.16 114.53 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 -1.00 3.97 -0.99 4.39 1.01 -1.26 -4.98 116.67 117.81 1ija s ASP 118 Ca 0.00 -1.29 -0.11 0.00 0.71 0.00 0.00 52.55 51.86 1ija s ASP 118 Cb 0.00 -0.41 -0.32 0.00 1.01 0.00 0.00 42.92 43.20 1ija s ASP 118 CO 0.00 -0.43 2.20 0.29 0.21 0.00 0.00 175.17 177.44 1ija n LYS 119 N -0.99 0.04 -3.25 8.23 4.76 -1.26 -4.71 118.16 120.97 1ija n LYS 119 Ca -0.04 -0.05 -0.26 0.00 -2.87 0.00 0.00 58.31 55.08 1ija n LYS 119 Cb 0.66 -1.20 -0.02 0.00 -1.84 0.00 0.00 35.03 32.63 1ija n LYS 119 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1ija s GLN 120 N 7.25 3.55 -0.37 1.97 0.00 -1.18 -2.65 119.66 128.23 1ija s GLN 120 Ca 1.30 -0.12 -0.02 0.00 -0.00 0.00 0.00 55.36 56.51 1ija s GLN 120 Cb -0.83 -2.61 0.09 0.00 0.00 0.00 0.00 33.01 29.66 1ija s GLN 120 CO 0.53 0.12 0.14 -1.17 0.00 0.00 0.00 175.29 174.91 1ija s LEU 121 N -4.09 4.85 -0.11 2.60 1.98 -1.15 -3.05 118.68 119.71 1ija s LEU 121 Ca 0.43 -1.84 -0.12 0.00 -2.89 0.00 0.00 54.13 49.70 1ija s LEU 121 Cb -0.10 -1.78 -0.05 0.00 0.66 0.00 0.00 46.19 44.92 1ija s LEU 121 CO 0.35 -0.45 0.28 -0.89 -1.89 0.00 0.00 176.35 173.75 1ija s THR 122 N 1.15 5.29 0.10 3.68 2.01 -0.41 -1.83 115.64 125.61 1ija s THR 122 Ca 0.05 0.53 0.10 0.00 0.31 0.00 0.00 61.69 62.68 1ija s THR 122 Cb -0.22 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1ija s THR 122 CO -0.04 0.49 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.38 1ija s LEU 123 N -0.26 2.38 0.02 4.42 1.43 -1.09 -1.91 118.68 123.66 1ija s LEU 123 Ca 0.18 -0.64 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1ija s LEU 123 Cb -0.14 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 1ija s LEU 123 CO 0.06 0.21 -0.09 -0.63 0.23 0.00 0.00 176.35 176.13 1ija s ILE 124 N -1.00 0.69 0.28 -0.59 1.01 0.45 -2.95 121.20 119.10 1ija s ILE 124 Ca 0.14 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 1ija s ILE 124 Cb -0.10 -0.63 -0.06 0.00 0.01 0.00 0.00 42.46 41.68 1ija s ILE 124 CO 0.06 0.00 0.58 0.42 0.00 0.00 0.00 174.94 175.99 1ija s THR 125 N -0.60 4.97 -0.36 2.92 -4.23 -1.18 -1.40 115.64 115.75 1ija s THR 125 Ca -0.00 0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.79 1ija s THR 125 Cb -0.06 -3.70 0.16 0.00 1.34 0.00 0.00 72.50 70.24 1ija s THR 125 CO 0.00 -0.27 0.39 0.00 -0.54 0.00 0.00 174.62 174.21 1ija s ASP 127 N 1.66 -0.22 -0.94 0.00 -4.77 -1.26 -3.92 116.67 107.21 1ija s ASP 127 Ca 0.15 0.24 -0.04 0.00 -3.30 0.00 0.00 52.55 49.60 1ija s ASP 127 Cb -0.14 0.41 -0.04 0.00 -1.09 0.00 0.00 42.92 42.06 1ija s ASP 127 CO -0.09 -0.34 0.83 0.47 0.70 0.00 0.00 175.17 176.75 1ija n ASP 128 N 1.80 -6.99 -4.69 2.11 9.92 -1.26 -4.16 116.55 113.27 1ija n ASP 128 Ca -0.19 -0.50 -0.42 0.00 -0.53 0.00 0.00 54.79 53.15 1ija n ASP 128 Cb 0.56 -5.13 -0.03 0.00 -0.64 0.00 0.00 41.12 35.88 1ija n ASP 128 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1ija s TYR 129 N -3.25 2.27 -0.35 1.24 6.14 -1.26 -2.71 117.35 119.43 1ija s TYR 129 Ca 0.29 0.16 -0.25 0.00 0.64 0.00 0.00 57.07 57.92 1ija s TYR 129 Cb -0.04 -4.05 0.01 0.00 0.42 0.00 0.00 41.96 38.29 1ija s TYR 129 CO 0.75 -4.30 0.87 1.21 0.64 0.00 0.00 175.55 174.72 1ija s ASN 130 N 2.60 6.66 0.00 4.32 3.84 -0.80 -4.78 114.94 126.79 1ija s ASN 130 Ca 0.77 0.58 0.27 0.00 0.21 0.00 0.00 52.86 54.69 1ija s ASN 130 Cb -0.42 -2.44 1.40 0.00 -0.55 0.00 0.00 41.25 39.24 1ija s ASN 130 CO 0.34 -0.78 1.93 -1.84 -2.79 0.00 0.00 177.10 173.96 1ija n GLU 131 N 6.57 1.27 -0.06 0.43 0.28 -1.26 -2.12 120.64 125.75 1ija n GLU 131 Ca 0.06 -0.39 -0.09 0.00 -0.16 0.00 0.00 57.16 56.58 1ija n GLU 131 Cb 0.48 -1.45 -0.08 0.00 1.43 0.00 0.00 31.44 31.82 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 0.90 -0.00 -0.00 3.44 1.79 -1.93 -3.36 116.57 117.41 1ija h LYS 132 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ija h LYS 132 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1ija h LYS 132 CO 0.00 0.60 -0.76 0.25 -1.08 0.00 0.00 179.45 178.46 1ija n THR 133 N -4.68 0.00 -2.68 -0.16 -2.24 -1.25 -4.97 114.28 98.30 1ija n THR 133 Ca -0.06 -0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.65 1ija n THR 133 Cb 0.29 0.67 0.02 0.00 -2.10 0.00 0.00 70.33 69.22 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 0.45 3.18 3.38 0.00 -0.90 -5.05 105.19 107.75 1ija n GLY 134 Ca 0.05 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.09 0.09 -0.12 1.61 1.01 -1.05 -5.02 120.40 113.83 1ija s VAL 135 Ca 0.11 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 1ija s VAL 135 Cb -0.05 -0.71 -0.08 0.00 0.00 0.00 0.00 36.38 35.54 1ija s VAL 135 CO 0.20 -0.39 2.09 0.79 0.00 0.00 0.00 175.10 177.79 1ija n TRP 136 N 1.03 2.19 0.00 5.22 7.02 -1.26 -1.91 117.44 129.72 1ija n TRP 136 Ca -0.21 -0.18 0.00 0.00 -1.02 0.00 0.00 57.50 56.09 1ija n TRP 136 Cb 0.57 -2.74 0.00 0.00 -2.42 0.00 0.00 31.31 26.73 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 8.02 0.00 -3.42 -0.99 2.13 -1.10 -4.39 120.64 120.89 1ija n GLU 137 Ca 0.26 0.78 -0.33 0.00 0.66 0.00 0.00 57.16 58.53 1ija n GLU 137 Cb 0.40 -1.24 -0.05 0.00 0.27 0.00 0.00 31.44 30.82 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 -2.42 3.85 -0.36 5.31 1.02 -1.26 -4.99 119.74 120.89 1ija s LYS 138 Ca 0.00 0.32 0.05 0.00 0.02 0.00 0.00 55.97 56.36 1ija s LYS 138 Cb 0.00 -2.76 0.17 0.00 -0.52 0.00 0.00 37.83 34.72 1ija s LYS 138 CO 0.00 0.38 0.49 1.03 -0.92 0.00 0.00 175.35 176.33 1ija s ARG 139 N -2.50 0.64 0.42 1.68 0.52 -1.26 -4.58 118.95 113.88 1ija s ARG 139 Ca 0.43 -0.30 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 1ija s ARG 139 Cb -0.13 -0.26 -0.00 0.00 0.52 0.00 0.00 34.95 35.08 1ija s ARG 139 CO 0.20 -1.14 0.63 0.15 0.02 0.00 0.00 175.30 175.16 1ija s LYS 140 N 1.96 3.08 0.02 3.54 -0.14 -1.26 -4.88 119.74 122.07 1ija s LYS 140 Ca 0.14 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 54.16 1ija s LYS 140 Cb -0.10 -2.62 -0.02 0.00 -1.68 0.00 0.00 37.83 33.41 1ija s LYS 140 CO -0.13 -0.20 -0.04 0.42 -0.76 0.00 0.00 175.35 174.65 1ija s ILE 141 N -2.47 0.18 0.15 2.17 1.01 -1.26 -3.13 121.20 117.84 1ija s ILE 141 Ca 0.47 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1ija s ILE 141 Cb -0.10 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1ija s ILE 141 CO 0.36 -0.48 0.02 -0.36 0.00 0.00 0.00 174.94 174.49 1ija s PHE 142 N -1.43 1.02 -0.21 3.97 0.40 -1.15 -2.25 117.98 118.34 1ija s PHE 142 Ca -0.15 -1.11 -0.07 0.00 -0.60 0.00 0.00 56.93 55.01 1ija s PHE 142 Cb -0.10 -0.59 0.10 0.00 0.51 0.00 0.00 43.02 42.94 1ija s PHE 142 CO -0.01 -0.35 0.43 0.08 0.70 0.00 0.00 175.22 176.08 1ija s VAL 143 N -3.83 -0.67 0.38 -0.44 1.01 0.20 -2.66 120.40 114.39 1ija s VAL 143 Ca 0.23 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.40 1ija s VAL 143 Cb 0.07 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.80 1ija s VAL 143 CO 0.02 0.05 0.49 0.00 0.00 0.00 0.00 175.10 175.66 1ija n ALA 144 N 5.39 0.78 -3.64 5.51 0.00 -0.76 -1.72 120.51 126.07 1ija n ALA 144 Ca -0.08 -1.42 -0.10 0.00 0.00 0.00 0.00 53.44 51.84 1ija n ALA 144 Cb 0.49 0.42 -0.10 0.00 0.00 0.00 0.00 19.45 20.27 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 -1.49 -0.02 -0.24 0.00 -1.32 -1.12 -2.95 115.64 108.49 1ija s THR 145 Ca 0.37 0.06 -0.28 0.00 -1.21 0.00 0.00 61.69 60.63 1ija s THR 145 Cb -0.03 -0.72 -0.04 0.00 -1.51 0.00 0.00 72.50 70.20 1ija s THR 145 CO 0.24 0.02 2.15 -0.70 -2.21 0.00 0.00 174.62 174.12 1ija s GLU 146 N 1.30 3.14 0.03 7.08 2.12 -1.08 -2.44 118.70 128.85 1ija s GLU 146 Ca -0.08 1.91 0.23 0.00 0.36 0.00 0.00 54.97 57.38 1ija s GLU 146 Cb -0.07 -4.35 -0.04 0.00 0.26 0.00 0.00 34.13 29.94 1ija s GLU 146 CO -0.13 -2.09 0.94 0.28 -0.54 0.00 0.00 175.26 173.73 1ija n VAL 147 N 7.71 0.13 -0.51 3.70 0.31 -1.26 -4.90 118.33 123.51 1ija n VAL 147 Ca 0.29 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1ija n VAL 147 Cb 0.45 0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.67 1ija n VAL 147 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80