#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 4.55 -0.01 0.03 -0.21 -1.26 -5.01 119.66 117.75 1ija s GLN 2 Ca 0.00 1.21 -0.30 0.00 0.02 0.00 0.00 55.36 56.29 1ija s GLN 2 Cb 0.00 -3.02 -0.04 0.00 1.00 0.00 0.00 33.01 30.95 1ija s GLN 2 CO 0.00 0.42 1.17 0.00 -2.12 0.00 0.00 175.29 174.76 1ija s ALA 3 N -1.40 3.42 0.45 6.09 0.00 -1.26 -5.01 121.76 124.04 1ija s ALA 3 Ca 0.43 0.68 -0.18 0.00 0.00 0.00 0.00 51.96 52.89 1ija s ALA 3 Cb -0.21 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.35 1ija s ALA 3 CO 0.25 -0.59 0.93 0.15 0.00 0.00 0.00 175.76 176.50 1ija s LYS 4 N 1.69 4.09 0.84 0.00 -0.14 -1.26 -5.00 119.74 119.97 1ija s LYS 4 Ca 0.56 0.99 -0.16 0.00 -1.36 0.00 0.00 55.97 56.00 1ija s LYS 4 Cb -0.26 -2.20 -0.13 0.00 -1.68 0.00 0.00 37.83 33.56 1ija s LYS 4 CO 0.25 -0.09 -0.77 -2.30 -0.76 0.00 0.00 175.35 171.67 1ija n PRO 5 N -0.95 0.00 -2.19 -1.68 -0.02 -1.26 -4.75 135.00 124.14 1ija n PRO 5 Ca 0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.12 1ija n PRO 5 Cb 0.54 -0.84 -0.02 0.00 -0.02 0.00 0.00 33.50 33.15 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 -1.69 4.16 -0.35 -0.52 1.11 -1.26 -4.93 119.66 116.18 1ija s GLN 6 Ca 0.33 1.90 -0.26 0.00 0.01 0.00 0.00 55.36 57.35 1ija s GLN 6 Cb -0.12 -3.90 0.01 0.00 -1.01 0.00 0.00 33.01 27.99 1ija s GLN 6 CO 0.68 -0.84 0.94 0.42 0.01 0.00 0.00 175.29 176.50 1ija s ILE 7 N 3.95 4.60 0.03 1.08 1.01 -1.26 -4.97 121.20 125.63 1ija s ILE 7 Ca 0.65 1.30 -0.39 0.00 0.00 0.00 0.00 60.65 62.22 1ija s ILE 7 Cb -0.27 -4.32 -0.19 0.00 0.01 0.00 0.00 42.46 37.68 1ija s ILE 7 CO 0.23 -0.48 1.09 -2.65 0.00 0.00 0.00 174.94 173.13 1ija n PRO 8 N 6.71 0.19 0.09 2.79 -0.02 -1.26 -4.85 135.00 138.65 1ija n PRO 8 Ca 0.08 0.07 -0.04 0.00 -2.02 0.00 0.00 63.50 61.58 1ija n PRO 8 Cb 0.48 -1.57 -0.02 0.00 -0.02 0.00 0.00 33.50 32.37 1ija n PRO 8 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1ija h LYS 9 N 3.14 0.00 -6.49 -0.52 1.57 -1.95 -3.43 116.57 108.89 1ija h LYS 9 Ca -0.49 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.72 1ija h LYS 9 Cb 1.41 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.67 1ija h LYS 9 CO 0.67 0.84 0.97 -0.51 -0.57 0.00 0.00 179.45 180.84 1ija s ASP 10 N -6.70 6.61 0.00 0.86 1.01 -1.26 -4.84 116.67 112.36 1ija s ASP 10 Ca 0.01 0.89 0.00 0.00 0.71 0.00 0.00 52.55 54.16 1ija s ASP 10 Cb 0.10 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1ija s ASP 10 CO 0.79 -1.19 0.60 0.29 0.21 0.00 0.00 175.17 175.87 1ija n LYS 11 N 7.59 0.00 -1.47 8.23 4.01 -1.26 -1.71 118.16 133.54 1ija n LYS 11 Ca 0.14 0.12 -0.30 0.00 -0.51 0.00 0.00 58.31 57.76 1ija n LYS 11 Cb 0.48 -1.51 0.08 0.00 -0.51 0.00 0.00 35.03 33.57 1ija n LYS 11 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1ija n SER 12 N -1.10 6.49 -3.72 4.39 7.64 -1.26 -4.70 113.62 121.36 1ija n SER 12 Ca 0.00 -3.77 -0.15 0.00 1.01 0.00 0.00 58.87 55.96 1ija n SER 12 Cb 0.01 -0.79 -0.15 0.00 -1.01 0.00 0.00 64.21 62.26 1ija n SER 12 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ija s LYS 13 N -3.71 0.04 0.25 1.43 -0.14 -0.69 -5.12 119.74 111.79 1ija s LYS 13 Ca 0.60 0.39 -0.31 0.00 -1.36 0.00 0.00 55.97 55.29 1ija s LYS 13 Cb 0.48 -0.25 -0.12 0.00 -1.68 0.00 0.00 37.83 36.26 1ija s LYS 13 CO 0.01 -0.22 1.66 0.28 -0.76 0.00 0.00 175.35 176.32 1ija n VAL 14 N 4.61 0.47 0.93 3.17 0.31 -1.26 -4.17 118.33 122.39 1ija n VAL 14 Ca -0.19 -0.12 0.10 0.00 -0.01 0.00 0.00 64.34 64.13 1ija n VAL 14 Cb 0.51 -1.96 -0.12 0.00 -0.91 0.00 0.00 33.84 31.35 1ija n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ija n ALA 15 N 3.12 4.64 0.00 3.52 0.00 -0.05 -4.92 120.51 126.83 1ija n ALA 15 Ca 0.13 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1ija n ALA 15 Cb 0.35 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 1.48 -0.63 3.17 0.00 0.00 -1.22 -4.75 105.19 103.25 1ija n GLY 16 Ca 0.03 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.00 -0.44 -0.04 1.61 1.51 -1.03 -2.82 117.35 113.14 1ija s TYR 17 Ca 0.00 1.00 -0.07 0.00 -1.01 0.00 0.00 57.07 56.99 1ija s TYR 17 Cb 0.00 0.15 -0.05 0.00 -0.11 0.00 0.00 41.96 41.95 1ija s TYR 17 CO 0.00 -0.27 0.23 -1.50 -1.11 0.00 0.00 175.55 172.90 1ija s ILE 18 N 1.15 5.35 -0.08 2.71 2.07 -0.68 -0.22 121.20 131.50 1ija s ILE 18 Ca -0.08 0.22 -0.05 0.00 -1.41 0.00 0.00 60.65 59.32 1ija s ILE 18 Cb -0.08 -3.53 0.04 0.00 0.13 0.00 0.00 42.46 39.02 1ija s ILE 18 CO -0.09 0.47 0.20 -1.61 -1.91 0.00 0.00 174.94 172.00 1ija s GLU 19 N -1.47 0.18 -0.06 3.50 2.02 -1.03 -2.35 118.70 119.49 1ija s GLU 19 Ca 0.23 0.40 -0.02 0.00 0.02 0.00 0.00 54.97 55.60 1ija s GLU 19 Cb -0.13 -0.06 0.04 0.00 0.10 0.00 0.00 34.13 34.08 1ija s GLU 19 CO 0.12 -0.12 0.13 0.42 0.02 0.00 0.00 175.26 175.83 1ija s ILE 20 N 0.86 -0.12 -0.01 -1.63 1.01 -0.11 -2.42 121.20 118.78 1ija s ILE 20 Ca -0.06 0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.65 1ija s ILE 20 Cb -0.08 -0.23 -0.26 0.00 0.01 0.00 0.00 42.46 41.91 1ija s ILE 20 CO -0.05 0.11 1.04 1.55 0.00 0.00 0.00 174.94 177.59 1ija h PRO 21 N 7.72 0.38 -0.03 2.79 0.13 -1.85 0.16 132.00 141.29 1ija h PRO 21 Ca -0.31 -0.46 0.01 0.00 -0.87 0.00 0.00 66.00 64.37 1ija h PRO 21 Cb 1.13 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ija h PRO 21 CO 0.32 1.14 0.35 0.22 -0.23 0.00 0.00 178.00 179.80 1ija h ASP 22 N -0.18 0.00 0.00 1.44 1.82 -1.97 0.39 116.42 117.92 1ija h ASP 22 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1ija h ASP 22 Cb 1.40 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.41 1ija h ASP 22 CO 0.13 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.76 1ija n ALA 23 N -1.92 1.98 -2.81 -0.78 0.00 -1.20 -4.42 120.51 111.37 1ija n ALA 23 Ca -0.01 -0.88 -0.10 0.00 0.00 0.00 0.00 53.44 52.46 1ija n ALA 23 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.38 -1.91 -4.84 0.00 5.68 0.14 -4.80 116.55 110.43 1ija n ASP 24 Ca 0.00 0.15 -0.36 0.00 -0.50 0.00 0.00 54.79 54.08 1ija n ASP 24 Cb 0.23 -1.71 -0.06 0.00 -1.14 0.00 0.00 41.12 38.44 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 -2.35 4.89 -0.42 2.12 1.01 0.33 -4.93 121.20 121.85 1ija s ILE 25 Ca 0.14 0.86 0.03 0.00 0.00 0.00 0.00 60.65 61.68 1ija s ILE 25 Cb -0.08 -3.75 0.19 0.00 0.01 0.00 0.00 42.46 38.83 1ija s ILE 25 CO 0.17 0.36 0.78 -1.59 0.00 0.00 0.00 174.94 174.66 1ija s LYS 26 N -1.64 0.73 0.08 2.79 -2.85 -1.26 -0.93 119.74 116.66 1ija s LYS 26 Ca 0.33 -0.47 0.01 0.00 -1.00 0.00 0.00 55.97 54.84 1ija s LYS 26 Cb -0.16 0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.60 1ija s LYS 26 CO 0.18 -0.99 -0.05 -1.21 0.10 0.00 0.00 175.35 173.38 1ija s GLU 27 N 1.48 0.74 0.67 1.78 2.02 -0.99 -4.99 118.70 119.40 1ija s GLU 27 Ca 0.21 -1.27 -0.11 0.00 0.02 0.00 0.00 54.97 53.82 1ija s GLU 27 Cb 0.00 -0.05 -0.01 0.00 0.10 0.00 0.00 34.13 34.17 1ija s GLU 27 CO -0.08 -0.05 1.06 -1.25 0.02 0.00 0.00 175.26 174.96 1ija s PRO 28 N -3.77 3.14 -0.10 0.39 0.04 -1.26 -1.68 135.00 131.75 1ija s PRO 28 Ca 0.09 0.66 -0.03 0.00 0.04 0.00 0.00 61.00 61.76 1ija s PRO 28 Cb 0.06 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1ija s PRO 28 CO -0.06 -0.88 0.07 0.08 0.04 0.00 0.00 177.00 176.25 1ija s VAL 29 N -3.23 -0.06 0.71 -0.36 1.01 -1.13 -3.86 120.40 113.48 1ija s VAL 29 Ca 0.57 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 1ija s VAL 29 Cb -0.12 -0.38 0.06 0.00 0.00 0.00 0.00 36.38 35.95 1ija s VAL 29 CO 0.53 -0.03 1.01 -0.31 0.00 0.00 0.00 175.10 176.30 1ija s TYR 30 N 2.14 2.85 -0.08 5.22 1.51 -0.70 -0.87 117.35 127.42 1ija s TYR 30 Ca 0.03 0.40 -0.21 0.00 -1.01 0.00 0.00 57.07 56.29 1ija s TYR 30 Cb -0.14 -3.20 -0.04 0.00 -0.11 0.00 0.00 41.96 38.47 1ija s TYR 30 CO -0.06 -1.43 0.59 -1.25 -1.11 0.00 0.00 175.55 172.29 1ija s PRO 31 N -5.24 4.37 0.00 -1.71 0.04 -1.26 -2.82 135.00 128.39 1ija s PRO 31 Ca 0.60 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1ija s PRO 31 Cb -0.10 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1ija s PRO 31 CO 0.45 0.16 0.00 0.41 0.04 0.00 0.00 177.00 178.05 1ija n GLY 32 N 3.05 0.31 3.70 0.56 0.00 -1.26 -4.53 105.19 107.01 1ija n GLY 32 Ca -0.05 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 1ija n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ija s PRO 33 N -2.00 4.39 -0.78 1.61 0.04 -1.25 -3.31 135.00 133.70 1ija s PRO 33 Ca 0.00 0.92 -0.07 0.00 0.04 0.00 0.00 61.00 61.89 1ija s PRO 33 Cb 0.00 -3.49 -0.26 0.00 0.04 0.00 0.00 34.50 30.79 1ija s PRO 33 CO 0.00 -0.06 1.84 0.00 0.04 0.00 0.00 177.00 178.82 1ija n ALA 34 N 4.22 0.97 -2.45 8.56 0.00 -0.66 -4.84 120.51 126.31 1ija n ALA 34 Ca 0.00 -0.80 -0.27 0.00 0.00 0.00 0.00 53.44 52.37 1ija n ALA 34 Cb 0.51 -1.95 -0.11 0.00 0.00 0.00 0.00 19.45 17.89 1ija n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ija s THR 35 N 0.00 2.53 0.11 0.00 -4.23 -1.26 -5.03 115.64 107.76 1ija s THR 35 Ca 1.03 -1.94 -0.13 0.00 -1.18 0.00 0.00 61.69 59.46 1ija s THR 35 Cb -0.66 -2.22 -0.09 0.00 1.34 0.00 0.00 72.50 70.87 1ija s THR 35 CO 0.44 -0.11 1.40 1.55 -0.54 0.00 0.00 174.62 177.37 1ija h PRO 36 N 3.16 0.79 0.00 3.99 0.13 -1.98 -1.15 132.00 136.93 1ija h PRO 36 Ca -0.47 -0.47 -0.00 0.00 -0.87 0.00 0.00 66.00 64.19 1ija h PRO 36 Cb 1.21 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ija h PRO 36 CO 0.49 1.10 -0.02 1.05 -0.23 0.00 0.00 178.00 180.39 1ija h GLU 37 N 0.54 0.00 0.00 0.86 -0.00 -1.97 -1.78 114.58 112.23 1ija h GLU 37 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.39 1ija h GLU 37 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.77 1ija h GLU 37 CO 0.10 0.02 0.00 0.94 -0.00 0.00 0.00 179.01 180.07 1ija n GLN 38 N -3.25 0.00 -0.20 1.06 0.00 -1.11 -4.32 117.38 109.57 1ija n GLN 38 Ca -0.02 0.13 0.30 0.00 -0.00 0.00 0.00 57.00 57.41 1ija n GLN 38 Cb 0.15 -0.63 0.59 0.00 0.00 0.00 0.00 30.24 30.36 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 0.00 0.00 -2.44 1.69 3.38 -1.30 2.21 115.31 118.85 1ija h LEU 39 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ija h LEU 39 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ija h LEU 39 CO 0.00 0.00 -0.02 0.78 0.09 0.00 0.00 178.44 179.29 1ija h ASN 40 N 0.00 0.00 0.64 -0.43 4.21 -1.51 0.43 115.58 118.93 1ija h ASN 40 Ca 0.47 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.98 1ija h ASN 40 Cb 2.47 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.67 1ija h ASN 40 CO -0.00 0.02 -0.54 0.54 -1.29 0.00 0.00 177.43 176.16 1ija n ARG 41 N -3.66 0.11 0.00 0.81 1.74 0.74 -5.02 116.66 111.37 1ija n ARG 41 Ca -0.03 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ija n ARG 41 Cb 0.11 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 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 1.44 -0.47 3.35 -0.13 0.00 0.15 -5.12 105.19 104.42 1ija n GLY 42 Ca 0.05 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1ija n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ija s VAL 43 N 0.00 2.04 -0.01 1.61 1.01 -1.25 -4.43 120.40 119.37 1ija s VAL 43 Ca 0.00 -1.74 -0.17 0.00 0.00 0.00 0.00 61.98 60.07 1ija s VAL 43 Cb 0.00 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.57 1ija s VAL 43 CO 0.00 -0.03 0.36 -0.44 0.00 0.00 0.00 175.10 174.99 1ija s SER 44 N -2.15 -0.25 0.80 3.32 0.01 -1.17 -1.73 113.70 112.53 1ija s SER 44 Ca 0.12 0.12 -0.14 0.00 1.31 0.00 0.00 55.95 57.36 1ija s SER 44 Cb -0.09 0.35 0.03 0.00 0.21 0.00 0.00 66.02 66.52 1ija s SER 44 CO 0.06 -0.51 0.82 0.49 0.41 0.00 0.00 173.24 174.51 1ija n PHE 45 N 1.07 0.04 1.71 2.43 3.72 -1.13 -2.60 117.46 122.71 1ija n PHE 45 Ca -0.21 0.35 0.09 0.00 -0.05 0.00 0.00 57.45 57.64 1ija n PHE 45 Cb 0.57 -1.98 0.44 0.00 -0.94 0.00 0.00 39.48 37.57 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 -3.00 2.57 -3.67 4.37 0.00 0.70 -1.65 120.51 119.84 1ija n ALA 46 Ca 0.11 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 1ija n ALA 46 Cb 0.51 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.64 1ija n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ija s GLU 47 N -1.92 0.34 0.60 0.00 2.02 -1.21 -3.49 118.70 115.05 1ija s GLU 47 Ca 0.27 0.69 0.35 0.00 0.02 0.00 0.00 54.97 56.30 1ija s GLU 47 Cb 0.13 -0.03 1.95 0.00 0.10 0.00 0.00 34.13 36.28 1ija s GLU 47 CO 0.21 -0.15 2.24 1.05 0.02 0.00 0.00 175.26 178.64 1ija h GLU 48 N 7.02 0.00 -0.01 1.61 4.11 -1.85 -0.65 114.58 124.81 1ija h GLU 48 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 1ija h GLU 48 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1ija h GLU 48 CO 0.32 0.02 -0.11 0.09 0.07 0.00 0.00 179.01 179.40 1ija n ASN 49 N -3.46 0.98 -4.60 3.06 3.02 -1.26 -4.72 115.26 108.27 1ija n ASN 49 Ca -0.02 -1.04 -0.30 0.00 -0.03 0.00 0.00 54.58 53.19 1ija n ASN 49 Cb 0.13 0.03 0.20 0.00 -0.61 0.00 0.00 39.78 39.53 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 -2.28 0.22 0.00 3.52 2.56 -0.25 -5.04 118.70 117.44 1ija s GLU 50 Ca 0.32 1.29 0.00 0.00 0.00 0.00 0.00 54.97 56.58 1ija s GLU 50 Cb 0.20 -1.65 0.00 0.00 2.00 0.00 0.00 34.13 34.68 1ija s GLU 50 CO 0.43 -3.09 0.00 -1.13 -0.56 0.00 0.00 175.26 170.91 1ija n SER 51 N -4.53 0.00 -1.12 -1.70 3.41 -1.26 -4.99 113.62 103.43 1ija n SER 51 Ca 0.08 -0.80 0.08 0.00 -0.26 0.00 0.00 58.87 57.98 1ija n SER 51 Cb 0.53 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.74 1ija n SER 51 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ija n LEU 52 N 0.00 3.27 -0.12 1.04 4.32 -1.26 -4.17 117.00 120.08 1ija n LEU 52 Ca 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 56.01 54.35 1ija n LEU 52 Cb 0.00 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 1ija n LEU 52 CO 0.00 0.72 0.12 0.47 -1.22 0.00 0.00 177.39 177.47 1ija n ASP 53 N 1.04 0.00 -4.67 -1.43 8.00 -1.26 -5.05 116.55 113.18 1ija n ASP 53 Ca 0.19 -1.07 -0.46 0.00 0.71 0.00 0.00 54.79 54.16 1ija n ASP 53 Cb 0.56 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.60 1ija n ASP 53 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ija n ASP 54 N 0.00 3.74 0.20 -2.24 2.03 -1.26 -4.72 116.55 114.29 1ija n ASP 54 Ca 0.00 0.95 0.04 0.00 0.52 0.00 0.00 54.79 56.30 1ija n ASP 54 Cb 0.51 -1.44 0.21 0.00 -0.72 0.00 0.00 41.12 39.69 1ija n ASP 54 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1ija h GLN 55 N 9.67 0.00 -3.13 -0.67 -0.00 -1.93 -3.12 115.11 115.93 1ija h GLN 55 Ca -0.49 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 57.60 1ija h GLN 55 Cb 1.26 0.00 -0.40 0.00 -0.00 0.00 0.00 27.48 28.34 1ija h GLN 55 CO 0.94 0.00 -0.77 -0.80 -0.00 0.00 0.00 178.83 178.20 1ija s ASN 56 N -3.08 3.74 0.24 0.06 -0.87 -1.26 -1.54 114.94 112.23 1ija s ASN 56 Ca -0.01 -1.52 -0.05 0.00 -1.57 0.00 0.00 52.86 49.71 1ija s ASN 56 Cb 0.02 -0.60 -0.05 0.00 -0.02 0.00 0.00 41.25 40.60 1ija s ASN 56 CO 0.07 -0.42 0.50 -0.63 -2.57 0.00 0.00 177.10 174.05 1ija s ILE 57 N 1.80 5.06 -0.25 0.60 -1.09 -1.06 -4.92 121.20 121.33 1ija s ILE 57 Ca 0.10 0.05 -0.04 0.00 -2.23 0.00 0.00 60.65 58.54 1ija s ILE 57 Cb -0.17 -3.70 0.10 0.00 -1.58 0.00 0.00 42.46 37.11 1ija s ILE 57 CO -0.29 -0.20 0.16 -0.55 -1.23 0.00 0.00 174.94 172.83 1ija s SER 58 N -2.92 2.67 0.21 3.58 0.15 -1.26 -1.41 113.70 114.72 1ija s SER 58 Ca 0.43 -0.92 0.04 0.00 0.70 0.00 0.00 55.95 56.21 1ija s SER 58 Cb -0.11 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 1ija s SER 58 CO 0.28 -0.40 0.32 -0.63 1.20 0.00 0.00 173.24 174.01 1ija s ILE 59 N 2.19 5.23 -0.02 6.45 1.01 -0.39 0.25 121.20 135.92 1ija s ILE 59 Ca 0.07 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1ija s ILE 59 Cb -0.16 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.54 1ija s ILE 59 CO -0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 174.94 174.42 1ija s ALA 60 N -1.90 0.24 0.06 9.38 0.00 -1.07 -0.70 121.76 127.77 1ija s ALA 60 Ca 0.34 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 52.29 1ija s ALA 60 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1ija s ALA 60 CO 0.28 -0.01 0.13 0.20 0.00 0.00 0.00 175.76 176.36 1ija s GLY 61 N 0.51 0.17 1.05 0.00 0.00 -0.84 -3.06 107.32 105.15 1ija s GLY 61 Ca -0.05 -0.65 -0.17 0.00 0.00 0.00 0.00 44.72 43.84 1ija s GLY 61 CO -0.01 -0.81 1.26 0.30 0.00 0.00 0.00 173.10 173.83 1ija s HIS 62 N -3.35 1.13 -0.40 1.90 3.76 -1.26 -0.30 115.29 116.78 1ija s HIS 62 Ca 0.01 0.35 0.07 0.00 -0.15 0.00 0.00 55.06 55.34 1ija s HIS 62 Cb 0.03 -3.92 0.18 0.00 1.11 0.00 0.00 32.58 29.98 1ija s HIS 62 CO -0.08 -3.13 0.57 -0.08 -0.85 0.00 0.00 174.74 171.18 1ija s THR 63 N -3.60 -0.86 -0.44 1.30 -1.32 -1.26 0.31 115.64 109.77 1ija s THR 63 Ca 0.73 -0.21 -0.24 0.00 -1.21 0.00 0.00 61.69 60.77 1ija s THR 63 Cb -0.05 -0.18 0.02 0.00 -1.51 0.00 0.00 72.50 70.78 1ija s THR 63 CO 0.54 -0.12 0.82 -0.36 -2.21 0.00 0.00 174.62 173.29 1ija s PHE 64 N 1.80 2.99 0.51 9.09 0.40 -1.26 -4.79 117.98 126.72 1ija s PHE 64 Ca 0.16 0.26 0.17 0.00 -0.60 0.00 0.00 56.93 56.93 1ija s PHE 64 Cb -0.07 -3.71 1.24 0.00 0.51 0.00 0.00 43.02 41.00 1ija s PHE 64 CO -0.07 -0.99 2.09 0.82 0.70 0.00 0.00 175.22 177.77 1ija h ILE 65 N 5.98 0.93 -0.23 0.64 1.08 -1.99 0.12 117.51 124.04 1ija h ILE 65 Ca -0.25 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1ija h ILE 65 Cb 1.08 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 1ija h ILE 65 CO 0.97 0.02 0.00 -0.67 -0.69 0.00 0.00 178.15 177.78 1ija n ASP 66 N -4.49 2.82 -3.02 1.72 2.03 -1.26 -4.33 116.55 110.03 1ija n ASP 66 Ca 0.02 -2.35 -0.16 0.00 0.52 0.00 0.00 54.79 52.82 1ija n ASP 66 Cb 0.24 -0.55 -0.03 0.00 -0.72 0.00 0.00 41.12 40.07 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 0.26 0.57 0.00 -0.67 3.00 0.43 -5.00 116.66 115.25 1ija n ARG 67 Ca 0.11 -2.54 0.00 0.00 -0.00 0.00 0.00 57.85 55.42 1ija n ARG 67 Cb 0.61 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.63 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 2.14 0.00 -1.18 -0.14 -0.02 -1.26 -1.76 135.00 132.79 1ija n PRO 68 Ca 0.19 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.65 1ija n PRO 68 Cb 0.55 -1.18 -0.03 0.00 -0.02 0.00 0.00 33.50 32.83 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 0.75 -0.05 -1.61 2.55 6.94 -1.26 -4.78 115.26 117.79 1ija n ASN 69 Ca 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.60 1ija n ASN 69 Cb 0.00 0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1ija n ASN 69 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ija n TYR 70 N 0.22 0.00 0.00 -2.53 9.36 -0.72 -5.01 117.16 118.48 1ija n TYR 70 Ca -0.11 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.11 1ija n TYR 70 Cb 0.89 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.60 1ija n TYR 70 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1ija n GLN 71 N 0.00 0.00 -0.65 2.98 3.00 -1.26 -4.36 117.38 117.09 1ija n GLN 71 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1ija n GLN 71 Cb 0.00 -0.52 0.30 0.00 0.00 0.00 0.00 30.24 30.02 1ija n GLN 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1ija n PHE 72 N -0.30 1.51 -0.07 1.08 -0.00 0.92 -4.38 117.46 116.22 1ija n PHE 72 Ca 0.00 -0.53 -0.11 0.00 -0.00 0.00 0.00 57.45 56.81 1ija n PHE 72 Cb 0.00 -0.39 0.03 0.00 -0.00 0.00 0.00 39.48 39.12 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 2.99 1.28 0.00 -2.13 2.02 -1.72 -3.29 112.91 112.07 1ija h THR 73 Ca 0.00 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.60 1ija h THR 73 Cb 1.56 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1ija h THR 73 CO 0.35 0.51 -0.83 0.59 0.37 0.00 0.00 175.52 176.51 1ija n ASN 74 N -4.04 0.81 -0.05 4.18 4.13 -1.26 -4.38 115.26 114.65 1ija n ASN 74 Ca -0.02 -0.88 0.23 0.00 1.68 0.00 0.00 54.58 55.59 1ija n ASN 74 Cb 0.54 1.02 0.71 0.00 -1.54 0.00 0.00 39.78 40.51 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 -1.78 2.17 115.31 122.49 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 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ija h LEU 75 CO 0.00 0.00 -0.02 2.29 0.09 0.00 0.00 178.44 180.80 1ija n LYS 76 N -4.23 0.02 0.17 1.13 2.85 -1.26 -2.79 118.16 114.06 1ija n LYS 76 Ca 0.12 0.02 0.06 0.00 -1.05 0.00 0.00 58.31 57.46 1ija n LYS 76 Cb 0.73 -1.53 0.10 0.00 -0.65 0.00 0.00 35.03 33.68 1ija n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ija h ALA 77 N 2.96 0.79 -3.14 0.58 0.00 0.33 -3.45 119.26 117.33 1ija h ALA 77 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.40 1ija h ALA 77 Cb 0.52 -0.05 0.11 0.00 0.00 0.00 0.00 17.79 18.37 1ija h ALA 77 CO 0.00 0.41 0.02 0.00 0.00 0.00 0.00 179.25 179.68 1ija n ALA 78 N -2.19 -2.17 -3.03 0.00 0.00 -1.10 -4.91 120.51 107.12 1ija n ALA 78 Ca 0.03 -0.87 -0.12 0.00 0.00 0.00 0.00 53.44 52.48 1ija n ALA 78 Cb 0.65 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 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 -4.28 0.83 -0.78 0.00 1.02 -1.26 -5.06 119.74 110.20 1ija s LYS 79 Ca 0.38 -0.49 -0.24 0.00 0.02 0.00 0.00 55.97 55.64 1ija s LYS 79 Cb -0.05 0.36 -0.17 0.00 -0.52 0.00 0.00 37.83 37.45 1ija s LYS 79 CO 0.30 -0.27 2.45 1.17 -0.92 0.00 0.00 175.35 178.08 1ija n LYS 80 N 0.55 0.47 0.00 1.68 4.81 -1.26 -1.52 118.16 122.89 1ija n LYS 80 Ca -0.18 -0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.07 1ija n LYS 80 Cb 0.60 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 33.09 1ija n LYS 80 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ija n GLY 81 N 6.23 0.50 0.00 3.14 0.00 -1.12 -4.96 105.19 108.99 1ija n GLY 81 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1ija n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ija n SER 82 N 0.00 -0.79 -4.11 1.61 2.88 -0.57 -4.69 113.62 107.94 1ija n SER 82 Ca 0.00 -0.17 -0.15 0.00 -1.33 0.00 0.00 58.87 57.22 1ija n SER 82 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1ija n SER 82 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1ija s MET 83 N -1.69 1.37 -0.22 -1.46 -1.94 -1.26 -2.82 119.30 111.29 1ija s MET 83 Ca 0.00 -1.75 -0.04 0.00 -1.71 0.00 0.00 55.69 52.20 1ija s MET 83 Cb 0.00 0.08 0.10 0.00 2.01 0.00 0.00 34.83 37.02 1ija s MET 83 CO 0.00 -0.40 0.23 0.08 -0.01 0.00 0.00 175.02 174.91 1ija s VAL 84 N -3.90 -0.32 -0.44 -6.03 1.01 -0.87 -4.73 120.40 105.12 1ija s VAL 84 Ca 0.38 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 1ija s VAL 84 Cb 0.06 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.74 1ija s VAL 84 CO 0.15 -0.27 0.59 -0.31 0.00 0.00 0.00 175.10 175.26 1ija s TYR 85 N 2.32 3.09 -0.32 5.22 1.51 -1.02 -2.82 117.35 125.33 1ija s TYR 85 Ca 0.07 -0.20 -0.17 0.00 -1.01 0.00 0.00 57.07 55.76 1ija s TYR 85 Cb -0.16 -3.26 -0.02 0.00 -0.11 0.00 0.00 41.96 38.42 1ija s TYR 85 CO -0.16 -0.85 0.45 0.12 -1.11 0.00 0.00 175.55 173.99 1ija s PHE 86 N 2.63 3.21 0.13 2.71 5.36 -1.07 -2.45 117.98 128.49 1ija s PHE 86 Ca 0.19 0.25 -0.24 0.00 -0.96 0.00 0.00 56.93 56.17 1ija s PHE 86 Cb -0.16 -2.76 -0.07 0.00 -0.34 0.00 0.00 43.02 39.69 1ija s PHE 86 CO 0.17 -0.41 0.73 0.21 -1.46 0.00 0.00 175.22 174.46 1ija s LYS 87 N 2.22 4.49 -0.13 10.12 2.20 0.70 0.29 119.74 139.63 1ija s LYS 87 Ca 0.17 1.06 -0.06 0.00 -0.36 0.00 0.00 55.97 56.78 1ija s LYS 87 Cb -0.16 -3.27 0.06 0.00 -1.51 0.00 0.00 37.83 32.95 1ija s LYS 87 CO 0.12 0.54 0.29 0.14 -0.36 0.00 0.00 175.35 176.07 1ija s VAL 88 N -0.96 -0.25 0.00 4.02 -7.23 0.17 -2.45 120.40 113.70 1ija s VAL 88 Ca 0.35 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.72 1ija s VAL 88 Cb -0.22 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.26 1ija s VAL 88 CO 0.24 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 1ija n GLY 89 N 4.80 2.91 2.19 2.32 0.00 -1.26 -0.94 105.19 115.21 1ija n GLY 89 Ca -0.16 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 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 2.31 5.95 -3.87 1.61 5.15 -1.26 -4.92 115.26 120.23 1ija n ASN 90 Ca 0.00 -3.57 -0.07 0.00 -0.60 0.00 0.00 54.58 50.34 1ija n ASN 90 Cb 0.00 -0.92 -0.02 0.00 -0.53 0.00 0.00 39.78 38.31 1ija n ASN 90 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1ija s GLU 91 N -3.25 1.78 0.02 1.20 1.03 -0.12 -5.18 118.70 114.18 1ija s GLU 91 Ca 0.55 -1.00 -0.02 0.00 0.03 0.00 0.00 54.97 54.53 1ija s GLU 91 Cb 0.45 0.60 -0.01 0.00 -0.80 0.00 0.00 34.13 34.37 1ija s GLU 91 CO 0.03 -0.81 0.01 -0.08 -1.33 0.00 0.00 175.26 173.09 1ija s THR 92 N -3.92 0.11 0.67 1.83 -1.32 -1.26 0.45 115.64 112.19 1ija s THR 92 Ca 0.12 -0.87 -0.00 0.00 -1.21 0.00 0.00 61.69 59.72 1ija s THR 92 Cb -0.06 -0.33 0.10 0.00 -1.51 0.00 0.00 72.50 70.70 1ija s THR 92 CO 0.07 -0.48 0.93 -0.13 -2.21 0.00 0.00 174.62 172.80 1ija s ARG 93 N -1.50 1.94 -0.10 7.08 1.81 0.15 -4.88 118.95 123.44 1ija s ARG 93 Ca -0.15 -1.02 -0.07 0.00 -1.72 0.00 0.00 55.73 52.77 1ija s ARG 93 Cb -0.09 -2.38 0.04 0.00 -0.45 0.00 0.00 34.95 32.07 1ija s ARG 93 CO -0.01 -1.23 0.25 0.15 -0.68 0.00 0.00 175.30 173.78 1ija s LYS 94 N -5.03 0.24 -0.03 3.54 1.02 -1.26 -2.61 119.74 115.61 1ija s LYS 94 Ca 0.64 0.48 -0.00 0.00 0.02 0.00 0.00 55.97 57.10 1ija s LYS 94 Cb -0.07 -0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.24 1ija s LYS 94 CO 0.43 -0.12 0.02 0.71 -0.92 0.00 0.00 175.35 175.47 1ija s TYR 95 N 0.88 0.19 -0.26 3.18 1.51 -1.13 -4.49 117.35 117.22 1ija s TYR 95 Ca -0.06 0.09 -0.16 0.00 -1.01 0.00 0.00 57.07 55.92 1ija s TYR 95 Cb -0.07 -0.40 -0.03 0.00 -0.11 0.00 0.00 41.96 41.35 1ija s TYR 95 CO -0.06 -0.15 0.44 0.21 -1.11 0.00 0.00 175.55 174.89 1ija s LYS 96 N 1.38 4.05 -0.26 -0.62 2.20 -1.16 -2.04 119.74 123.29 1ija s LYS 96 Ca -0.05 0.19 -0.40 0.00 -0.36 0.00 0.00 55.97 55.35 1ija s LYS 96 Cb -0.13 -3.65 -0.16 0.00 -1.51 0.00 0.00 37.83 32.39 1ija s LYS 96 CO -0.03 -0.30 1.73 -1.33 -0.36 0.00 0.00 175.35 175.06 1ija n MET 97 N 5.37 1.17 -1.50 4.03 2.81 -1.13 -2.95 117.12 124.93 1ija n MET 97 Ca -0.06 0.43 -0.01 0.00 -1.81 0.00 0.00 57.70 56.24 1ija n MET 97 Cb 0.50 -2.11 -0.01 0.00 -0.71 0.00 0.00 33.22 30.89 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 4.50 0.10 -2.83 2.03 -2.24 -1.14 -2.80 114.28 111.90 1ija n THR 98 Ca 0.26 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1ija n THR 98 Cb 0.13 0.82 0.01 0.00 -2.10 0.00 0.00 70.33 69.19 1ija n THR 98 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ija s SER 99 N -1.67 -0.64 -0.16 3.42 0.01 -0.91 -4.89 113.70 108.87 1ija s SER 99 Ca 0.17 -0.45 -0.21 0.00 1.31 0.00 0.00 55.95 56.77 1ija s SER 99 Cb 0.23 0.82 -0.03 0.00 0.21 0.00 0.00 66.02 67.25 1ija s SER 99 CO -0.09 -0.06 0.62 -0.63 0.41 0.00 0.00 173.24 173.49 1ija s ILE 100 N 1.63 5.06 0.00 1.44 -1.09 -1.26 0.09 121.20 127.07 1ija s ILE 100 Ca 0.18 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.80 1ija s ILE 100 Cb 0.04 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1ija s ILE 100 CO -0.12 0.18 0.00 0.54 -1.23 0.00 0.00 174.94 174.31 1ija n ARG 101 N 4.55 0.00 -0.62 2.79 5.12 -0.98 -4.74 116.66 122.78 1ija n ARG 101 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1ija n ARG 101 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 1ija n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1ija n ASP 102 N 0.00 -1.96 -1.47 0.55 2.03 -0.74 -4.84 116.55 110.11 1ija n ASP 102 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ija n ASP 102 Cb 0.00 -2.62 0.00 0.00 -0.72 0.00 0.00 41.12 37.78 1ija n ASP 102 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1ija n VAL 103 N -1.76 0.00 -0.38 5.18 0.31 -1.26 -4.92 118.33 115.50 1ija n VAL 103 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1ija n VAL 103 Cb 0.16 -0.28 -0.00 0.00 -0.91 0.00 0.00 33.84 32.81 1ija n VAL 103 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ija n LYS 104 N -0.21 -0.29 -1.44 5.55 4.76 -1.26 -4.08 118.16 121.20 1ija n LYS 104 Ca 0.00 1.48 -0.17 0.00 -2.87 0.00 0.00 58.31 56.75 1ija n LYS 104 Cb 0.00 -2.19 -0.17 0.00 -1.84 0.00 0.00 35.03 30.83 1ija n LYS 104 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1ija n PRO 105 N -5.36 0.08 -3.81 1.97 -0.02 -1.26 -4.81 135.00 121.78 1ija n PRO 105 Ca 0.08 -0.17 -0.30 0.00 -2.02 0.00 0.00 63.50 61.09 1ija n PRO 105 Cb 0.35 -1.45 -0.14 0.00 -0.02 0.00 0.00 33.50 32.23 1ija n PRO 105 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ija s THR 106 N 2.53 1.63 0.00 3.45 -4.23 -1.26 -4.52 115.64 113.24 1ija s THR 106 Ca 1.06 -2.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1ija s THR 106 Cb -0.61 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1ija s THR 106 CO 0.41 -0.77 0.00 -0.67 -0.54 0.00 0.00 174.62 173.05 1ija n ASP 107 N 3.93 -2.49 0.00 3.99 -0.08 -1.26 -4.87 116.55 115.76 1ija n ASP 107 Ca 0.04 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.37 1ija n ASP 107 Cb 0.37 -0.42 0.27 0.00 2.34 0.00 0.00 41.12 43.68 1ija n ASP 107 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1ija n VAL 108 N -2.83 0.00 0.00 5.18 0.24 -1.26 -4.46 118.33 115.20 1ija n VAL 108 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ija n VAL 108 Cb 0.00 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 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 -0.07 0.17 0.25 7.63 0.00 -1.26 -5.01 105.19 106.90 1ija n GLY 109 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1ija n GLY 109 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ija h VAL 110 N 0.00 0.57 -0.97 1.61 -1.51 -1.96 -1.82 116.25 112.18 1ija h VAL 110 Ca 0.00 -0.73 -0.55 0.00 -1.23 0.00 0.00 66.70 64.19 1ija h VAL 110 Cb 0.00 1.48 -0.30 0.00 -2.13 0.00 0.00 31.29 30.34 1ija h VAL 110 CO 0.00 0.15 0.67 0.18 -1.23 0.00 0.00 177.57 177.34 1ija n LEU 111 N -3.56 6.88 -4.66 4.19 4.77 -1.26 -4.92 117.00 118.44 1ija n LEU 111 Ca -0.01 -3.83 -0.42 0.00 -0.03 0.00 0.00 56.01 51.72 1ija n LEU 111 Cb 0.30 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 40.49 1ija n LEU 111 CO 0.31 1.20 0.69 -0.62 -1.33 0.00 0.00 177.39 177.64 1ija s ASP 112 N -1.55 6.96 0.00 -1.43 -1.08 -0.68 -4.86 116.67 114.02 1ija s ASP 112 Ca 0.59 1.18 0.02 0.00 -0.52 0.00 0.00 52.55 53.82 1ija s ASP 112 Cb 0.48 -2.47 0.09 0.00 -1.46 0.00 0.00 42.92 39.56 1ija s ASP 112 CO 0.07 -0.49 0.84 -1.84 0.52 0.00 0.00 175.17 174.27 1ija n GLU 113 N 5.66 0.03 -2.88 4.34 0.28 -1.26 -3.21 120.64 123.59 1ija n GLU 113 Ca 0.06 0.25 -0.11 0.00 -0.16 0.00 0.00 57.16 57.20 1ija n GLU 113 Cb 0.48 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.85 1ija n GLU 113 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1ija n GLN 114 N -1.26 0.63 -0.22 3.44 0.00 -1.26 -4.35 117.38 114.36 1ija n GLN 114 Ca 0.01 -2.18 -0.08 0.00 -0.00 0.00 0.00 57.00 54.74 1ija n GLN 114 Cb 0.01 -1.46 -0.07 0.00 0.00 0.00 0.00 30.24 28.73 1ija n GLN 114 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1ija h LYS 115 N 4.50 -0.09 0.00 3.69 1.79 -1.86 -3.46 116.57 121.14 1ija h LYS 115 Ca -0.01 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ija h LYS 115 Cb 1.02 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1ija h LYS 115 CO 0.24 -0.06 0.00 0.41 -1.08 0.00 0.00 179.45 178.97 1ija n GLY 116 N -1.20 0.54 0.00 3.86 0.00 -1.26 -5.08 105.19 102.05 1ija n GLY 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ija n GLY 116 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ija n LYS 117 N 0.00 0.00 -4.62 1.61 2.85 -1.26 -5.12 118.16 111.63 1ija n LYS 117 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 1ija n LYS 117 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 1ija n LYS 117 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ija s ASP 118 N -1.00 3.71 0.45 -5.58 1.11 -1.26 -5.09 116.67 109.01 1ija s ASP 118 Ca 0.00 -1.41 -0.21 0.00 0.18 0.00 0.00 52.55 51.11 1ija s ASP 118 Cb 0.00 -0.23 -0.13 0.00 1.07 0.00 0.00 42.92 43.63 1ija s ASP 118 CO 0.00 -0.53 0.36 0.29 1.18 0.00 0.00 175.17 176.48 1ija n LYS 119 N -0.97 0.37 -3.74 8.23 5.02 -1.26 -4.86 118.16 120.95 1ija n LYS 119 Ca -0.06 0.14 -0.13 0.00 -2.02 0.00 0.00 58.31 56.23 1ija n LYS 119 Cb 0.67 -1.37 -0.08 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.48 0.73 -0.35 1.97 0.00 -0.59 -3.00 119.66 116.93 1ija s GLN 120 Ca 0.63 -0.20 -0.11 0.00 -0.00 0.00 0.00 55.36 55.68 1ija s GLN 120 Cb -0.57 0.32 0.02 0.00 0.00 0.00 0.00 33.01 32.78 1ija s GLN 120 CO 0.59 -0.21 0.19 -1.17 0.00 0.00 0.00 175.29 174.69 1ija s LEU 121 N -1.43 4.53 -0.27 2.60 2.96 -0.25 -2.56 118.68 124.27 1ija s LEU 121 Ca -0.12 -0.85 -0.13 0.00 -0.22 0.00 0.00 54.13 52.82 1ija s LEU 121 Cb -0.04 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1ija s LEU 121 CO 0.04 -0.33 0.27 -0.89 -1.32 0.00 0.00 176.35 174.12 1ija s THR 122 N 1.57 5.26 0.03 3.68 2.01 -0.50 -1.71 115.64 125.97 1ija s THR 122 Ca 0.03 0.35 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1ija s THR 122 Cb -0.18 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1ija s THR 122 CO 0.07 0.22 0.09 -0.76 -0.69 0.00 0.00 174.62 173.55 1ija s LEU 123 N 1.78 3.90 0.02 4.42 1.02 -0.62 -1.26 118.68 127.94 1ija s LEU 123 Ca 0.11 0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.38 1ija s LEU 123 Cb -0.16 -2.38 -0.02 0.00 0.02 0.00 0.00 46.19 43.65 1ija s LEU 123 CO 0.10 0.24 -0.05 -0.63 0.02 0.00 0.00 176.35 176.02 1ija s ILE 124 N -1.27 0.31 0.20 -0.59 1.01 0.12 -2.76 121.20 118.21 1ija s ILE 124 Ca 0.26 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1ija s ILE 124 Cb -0.12 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 1ija s ILE 124 CO 0.17 -0.31 0.37 0.42 0.00 0.00 0.00 174.94 175.60 1ija s THR 125 N -1.07 5.23 -0.31 2.92 -4.23 -1.18 -1.98 115.64 115.02 1ija s THR 125 Ca -0.09 -0.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 1ija s THR 125 Cb -0.08 -3.76 0.15 0.00 1.34 0.00 0.00 72.50 70.15 1ija s THR 125 CO -0.00 -0.20 0.35 0.00 -0.54 0.00 0.00 174.62 174.23 1ija s ASP 127 N 2.13 -0.20 -0.94 0.00 -4.77 -1.26 -4.05 116.67 107.58 1ija s ASP 127 Ca 0.12 0.12 -0.05 0.00 -3.30 0.00 0.00 52.55 49.44 1ija s ASP 127 Cb -0.14 0.34 -0.06 0.00 -1.09 0.00 0.00 42.92 41.97 1ija s ASP 127 CO -0.24 -0.42 0.83 -0.67 0.70 0.00 0.00 175.17 175.37 1ija n ASP 128 N 1.41 -6.47 -4.65 2.11 2.03 -1.26 -4.28 116.55 105.43 1ija n ASP 128 Ca -0.21 -0.59 -0.42 0.00 0.52 0.00 0.00 54.79 54.09 1ija n ASP 128 Cb 0.56 -4.91 -0.03 0.00 -0.72 0.00 0.00 41.12 36.02 1ija n ASP 128 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1ija s TYR 129 N -3.32 1.69 -0.29 -0.67 6.14 -1.26 -2.53 117.35 117.11 1ija s TYR 129 Ca 0.38 0.01 -0.23 0.00 0.64 0.00 0.00 57.07 57.87 1ija s TYR 129 Cb -0.05 -4.04 -0.00 0.00 0.42 0.00 0.00 41.96 38.29 1ija s TYR 129 CO 0.69 -4.40 0.77 1.21 0.64 0.00 0.00 175.55 174.47 1ija s ASN 130 N 4.14 6.68 -0.00 4.32 2.47 -0.76 -4.81 114.94 126.98 1ija s ASN 130 Ca 0.80 0.73 0.05 0.00 0.42 0.00 0.00 52.86 54.87 1ija s ASN 130 Cb -0.36 -2.40 0.16 0.00 -1.45 0.00 0.00 41.25 37.20 1ija s ASN 130 CO 0.34 -0.56 1.11 -1.84 -3.72 0.00 0.00 177.10 172.43 1ija n GLU 131 N 6.10 1.46 -0.07 0.43 0.00 -1.26 -2.48 120.64 124.83 1ija n GLU 131 Ca 0.03 -0.66 -0.09 0.00 0.00 0.00 0.00 57.16 56.44 1ija n GLU 131 Cb 0.48 -1.18 -0.07 0.00 0.00 0.00 0.00 31.44 30.67 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 1.06 0.00 -0.00 3.44 1.57 -1.92 -3.36 116.57 117.35 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 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1ija h LYS 132 CO 0.01 0.55 -0.66 0.25 -0.57 0.00 0.00 179.45 179.02 1ija n THR 133 N -4.65 0.00 -2.72 -0.16 -2.24 -1.25 -4.96 114.28 98.29 1ija n THR 133 Ca -0.09 -0.08 -0.06 0.00 -2.27 0.00 0.00 64.05 61.56 1ija n THR 133 Cb 0.31 0.80 0.02 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.46 0.52 3.30 3.38 0.00 -1.03 -5.05 105.19 107.77 1ija n GLY 134 Ca 0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.08 0.09 -0.15 1.61 1.01 -1.06 -5.03 120.40 113.78 1ija s VAL 135 Ca 0.13 -1.34 -0.29 0.00 0.00 0.00 0.00 61.98 60.48 1ija s VAL 135 Cb -0.06 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1ija s VAL 135 CO 0.19 -0.40 1.72 0.26 0.00 0.00 0.00 175.10 176.87 1ija s TRP 136 N -3.94 1.90 0.00 5.22 0.52 -1.26 -1.83 118.94 119.55 1ija s TRP 136 Ca 0.14 0.35 0.00 0.00 0.02 0.00 0.00 56.10 56.61 1ija s TRP 136 Cb 0.04 -3.98 0.00 0.00 -1.15 0.00 0.00 33.47 28.38 1ija s TRP 136 CO -0.03 -3.56 0.14 -1.91 0.02 0.00 0.00 176.95 171.61 1ija n GLU 137 N 7.59 0.00 -3.21 4.98 4.07 -1.05 -4.46 120.64 128.57 1ija n GLU 137 Ca 0.19 0.14 -0.31 0.00 -0.06 0.00 0.00 57.16 57.12 1ija n GLU 137 Cb 0.44 -0.59 -0.05 0.00 -0.06 0.00 0.00 31.44 31.19 1ija n GLU 137 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1ija s LYS 138 N -0.30 3.80 -0.41 5.31 -2.85 -1.26 -5.00 119.74 119.03 1ija s LYS 138 Ca 0.00 0.35 0.07 0.00 -1.00 0.00 0.00 55.97 55.39 1ija s LYS 138 Cb 0.00 -2.54 0.18 0.00 -2.06 0.00 0.00 37.83 33.40 1ija s LYS 138 CO 0.00 0.18 0.58 0.50 0.10 0.00 0.00 175.35 176.71 1ija s ARG 139 N -3.24 0.80 0.79 1.78 3.52 -1.26 -4.54 118.95 116.79 1ija s ARG 139 Ca 0.49 -0.43 -0.12 0.00 -0.13 0.00 0.00 55.73 55.54 1ija s ARG 139 Cb -0.11 -0.08 0.06 0.00 -1.56 0.00 0.00 34.95 33.26 1ija s ARG 139 CO 0.24 -1.20 1.15 0.15 -0.81 0.00 0.00 175.30 174.83 1ija s LYS 140 N 1.71 2.18 0.00 5.12 1.02 -1.26 -4.88 119.74 123.63 1ija s LYS 140 Ca 0.17 0.26 -0.13 0.00 0.02 0.00 0.00 55.97 56.29 1ija s LYS 140 Cb -0.06 -1.96 0.02 0.00 -0.52 0.00 0.00 37.83 35.30 1ija s LYS 140 CO -0.06 -1.48 0.27 0.96 -0.92 0.00 0.00 175.35 174.12 1ija s ILE 141 N -3.46 0.07 0.10 2.17 -4.36 -1.26 -3.12 121.20 111.34 1ija s ILE 141 Ca 0.61 -0.59 -0.04 0.00 -0.26 0.00 0.00 60.65 60.36 1ija s ILE 141 Cb -0.12 -0.68 -0.02 0.00 1.25 0.00 0.00 42.46 42.89 1ija s ILE 141 CO 0.51 -0.33 0.11 -0.36 0.24 0.00 0.00 174.94 175.11 1ija s PHE 142 N -1.69 0.51 0.02 1.37 0.40 -1.11 -1.80 117.98 115.68 1ija s PHE 142 Ca -0.11 -0.94 -0.13 0.00 -0.60 0.00 0.00 56.93 55.15 1ija s PHE 142 Cb -0.04 -0.27 0.02 0.00 0.51 0.00 0.00 43.02 43.23 1ija s PHE 142 CO 0.02 -0.52 0.27 0.08 0.70 0.00 0.00 175.22 175.76 1ija s VAL 143 N -3.95 0.08 0.08 -0.44 1.01 0.11 -1.59 120.40 115.70 1ija s VAL 143 Ca 0.13 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 1ija s VAL 143 Cb 0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1ija s VAL 143 CO -0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 175.10 174.66 1ija s ALA 144 N -2.02 0.75 -0.04 5.51 0.00 -0.70 -2.13 121.76 123.13 1ija s ALA 144 Ca -0.09 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 50.60 1ija s ALA 144 Cb -0.03 0.33 -0.00 0.00 0.00 0.00 0.00 23.12 23.42 1ija s ALA 144 CO -0.00 -0.34 -0.15 -0.08 0.00 0.00 0.00 175.76 175.19 1ija s THR 145 N -3.83 1.23 -0.36 0.00 -1.32 -1.15 -1.09 115.64 109.12 1ija s THR 145 Ca 0.12 -0.61 -0.27 0.00 -1.21 0.00 0.00 61.69 59.72 1ija s THR 145 Cb 0.07 -1.07 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1ija s THR 145 CO -0.06 0.36 2.20 -0.70 -2.21 0.00 0.00 174.62 174.21 1ija s GLU 146 N 0.09 2.74 0.68 7.08 2.12 -1.16 -3.00 118.70 127.25 1ija s GLU 146 Ca -0.04 1.61 0.01 0.00 0.36 0.00 0.00 54.97 56.91 1ija s GLU 146 Cb -0.11 -4.43 0.11 0.00 0.26 0.00 0.00 34.13 29.97 1ija s GLU 146 CO 0.02 -2.55 0.94 0.08 -0.54 0.00 0.00 175.26 173.21 1ija s VAL 147 N 9.61 2.20 0.00 3.70 1.01 -1.26 -4.91 120.40 130.74 1ija s VAL 147 Ca 0.94 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1ija s VAL 147 Cb -0.24 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1ija s VAL 147 CO 0.30 0.00 0.00 0.29 0.00 0.00 0.00 175.10 175.69