#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 3.74 0.62 0.03 -1.52 -1.26 -5.00 119.66 116.27 1ija s GLN 2 Ca 0.00 1.22 -0.10 0.00 -1.95 0.00 0.00 55.36 54.52 1ija s GLN 2 Cb 0.00 -3.98 0.15 0.00 -0.22 0.00 0.00 33.01 28.96 1ija s GLN 2 CO 0.00 -1.36 0.61 0.00 -0.25 0.00 0.00 175.29 174.30 1ija n ALA 3 N 8.36 -1.58 -1.38 6.09 0.00 -1.26 -4.77 120.51 125.97 1ija n ALA 3 Ca 0.17 -0.88 -0.52 0.00 0.00 0.00 0.00 53.44 52.21 1ija n ALA 3 Cb 0.47 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 1ija n ALA 3 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ija n LYS 4 N -3.10 0.46 0.00 0.00 5.02 -1.26 -4.89 118.16 114.39 1ija n LYS 4 Ca 0.08 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1ija n LYS 4 Cb 0.31 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 1ija n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1ija n PRO 5 N 8.03 0.76 -2.61 1.97 -0.02 -1.26 -4.77 135.00 137.10 1ija n PRO 5 Ca 0.51 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 1ija n PRO 5 Cb 0.11 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.56 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 -0.93 3.46 -0.36 -0.52 -1.52 -1.26 -4.99 119.66 113.54 1ija s GLN 6 Ca 0.00 0.13 -0.25 0.00 -1.95 0.00 0.00 55.36 53.29 1ija s GLN 6 Cb 0.00 -4.04 0.01 0.00 -0.22 0.00 0.00 33.01 28.77 1ija s GLN 6 CO 0.00 -1.71 0.88 0.42 -0.25 0.00 0.00 175.29 174.63 1ija s ILE 7 N 4.91 4.64 -0.37 1.08 -1.09 -1.26 -4.97 121.20 124.15 1ija s ILE 7 Ca 0.41 1.14 -0.44 0.00 -2.23 0.00 0.00 60.65 59.52 1ija s ILE 7 Cb -0.08 -4.29 -0.19 0.00 -1.58 0.00 0.00 42.46 36.33 1ija s ILE 7 CO 0.24 -0.48 1.59 -2.65 -1.23 0.00 0.00 174.94 172.41 1ija n PRO 8 N 6.62 0.40 0.09 2.79 -0.02 -1.26 -4.82 135.00 138.80 1ija n PRO 8 Ca 0.06 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1ija n PRO 8 Cb 0.48 -1.71 0.31 0.00 -0.02 0.00 0.00 33.50 32.56 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 5.47 0.28 -6.54 -0.52 1.57 -1.97 -3.40 116.57 111.46 1ija h LYS 9 Ca -0.46 -0.09 -0.57 0.00 -1.87 0.00 0.00 60.65 57.67 1ija h LYS 9 Cb 1.36 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.58 1ija h LYS 9 CO 0.94 0.50 1.00 -0.51 -0.57 0.00 0.00 179.45 180.81 1ija s ASP 10 N -6.86 6.52 0.00 0.86 1.01 -1.26 -4.83 116.67 112.11 1ija s ASP 10 Ca -0.05 0.81 0.01 0.00 0.71 0.00 0.00 52.55 54.03 1ija s ASP 10 Cb 0.15 -2.54 0.08 0.00 1.01 0.00 0.00 42.92 41.61 1ija s ASP 10 CO 0.75 -1.28 0.62 0.29 0.21 0.00 0.00 175.17 175.76 1ija n LYS 11 N 7.80 0.04 -1.86 8.23 4.01 -1.26 -1.96 118.16 133.16 1ija n LYS 11 Ca 0.15 0.05 -0.30 0.00 -0.51 0.00 0.00 58.31 57.69 1ija n LYS 11 Cb 0.48 -1.50 0.04 0.00 -0.51 0.00 0.00 35.03 33.54 1ija n LYS 11 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1ija n SER 12 N -1.05 6.10 -3.78 4.39 2.88 -1.26 -4.60 113.62 116.30 1ija n SER 12 Ca 0.01 -3.77 -0.13 0.00 -1.33 0.00 0.00 58.87 53.65 1ija n SER 12 Cb 0.01 -0.65 -0.14 0.00 -0.75 0.00 0.00 64.21 62.67 1ija n SER 12 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1ija s LYS 13 N -3.72 0.09 0.02 -1.46 2.20 -0.83 -5.10 119.74 110.94 1ija s LYS 13 Ca 0.55 0.28 -0.31 0.00 -0.36 0.00 0.00 55.97 56.12 1ija s LYS 13 Cb 0.44 -0.11 -0.10 0.00 -1.51 0.00 0.00 37.83 36.56 1ija s LYS 13 CO -0.07 -0.12 1.94 0.28 -0.36 0.00 0.00 175.35 177.02 1ija n VAL 14 N 3.81 0.67 1.01 4.02 0.31 -1.26 -4.15 118.33 122.73 1ija n VAL 14 Ca -0.22 -0.12 0.11 0.00 -0.01 0.00 0.00 64.34 64.10 1ija n VAL 14 Cb 0.54 -2.19 -0.00 0.00 -0.91 0.00 0.00 33.84 31.28 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 7.06 4.35 0.00 3.52 0.00 -0.83 -4.93 120.51 129.68 1ija n ALA 15 Ca 0.20 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1ija n ALA 15 Cb 0.38 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.49 2.17 3.67 0.00 0.00 -1.23 -4.83 105.19 106.47 1ija n GLY 16 Ca 0.05 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.04 3.37 0.02 1.61 1.51 0.18 -1.53 117.35 121.48 1ija s TYR 17 Ca 0.00 0.61 -0.10 0.00 -1.01 0.00 0.00 57.07 56.57 1ija s TYR 17 Cb 0.00 -2.52 -0.05 0.00 -0.11 0.00 0.00 41.96 39.27 1ija s TYR 17 CO 0.00 -0.01 0.35 -1.50 -1.11 0.00 0.00 175.55 173.27 1ija s ILE 18 N 1.31 5.17 -0.11 2.71 1.10 -0.52 -0.94 121.20 129.91 1ija s ILE 18 Ca 0.19 0.47 -0.10 0.00 -0.51 0.00 0.00 60.65 60.70 1ija s ILE 18 Cb -0.15 -3.62 0.03 0.00 0.15 0.00 0.00 42.46 38.87 1ija s ILE 18 CO 0.08 0.42 0.29 -0.70 -2.11 0.00 0.00 174.94 172.92 1ija s GLU 19 N -1.55 0.33 -0.15 3.50 2.12 -1.01 -2.29 118.70 119.65 1ija s GLU 19 Ca 0.27 0.43 -0.08 0.00 0.36 0.00 0.00 54.97 55.96 1ija s GLU 19 Cb -0.14 0.13 0.06 0.00 0.26 0.00 0.00 34.13 34.44 1ija s GLU 19 CO 0.15 -0.05 0.35 0.42 -0.54 0.00 0.00 175.26 175.59 1ija s ILE 20 N 0.29 -0.12 0.00 -3.70 1.01 -0.36 -2.44 121.20 115.89 1ija s ILE 20 Ca -0.01 0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.57 1ija s ILE 20 Cb -0.03 -0.54 -0.24 0.00 0.01 0.00 0.00 42.46 41.66 1ija s ILE 20 CO -0.01 0.05 1.09 1.55 0.00 0.00 0.00 174.94 177.63 1ija h PRO 21 N 7.33 0.42 -0.81 2.79 0.13 -1.89 -0.01 132.00 139.96 1ija h PRO 21 Ca -0.34 -0.46 0.24 0.00 -0.87 0.00 0.00 66.00 64.56 1ija h PRO 21 Cb 1.16 0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1ija h PRO 21 CO 0.29 1.12 0.67 0.22 -0.23 0.00 0.00 178.00 180.07 1ija h ASP 22 N -0.10 0.00 -0.18 1.44 1.82 -1.97 0.74 116.42 118.17 1ija h ASP 22 Ca -0.08 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1ija h ASP 22 Cb 1.35 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.36 1ija h ASP 22 CO 0.12 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.75 1ija n ALA 23 N -2.57 2.23 -2.53 -0.78 0.00 -1.21 -4.64 120.51 111.01 1ija n ALA 23 Ca 0.17 -0.94 -0.05 0.00 0.00 0.00 0.00 53.44 52.62 1ija n ALA 23 Cb 0.96 -0.30 -0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 0.29 -1.90 -4.86 0.00 5.68 0.26 -4.69 116.55 111.33 1ija n ASP 24 Ca 0.07 0.37 -0.35 0.00 -0.50 0.00 0.00 54.79 54.38 1ija n ASP 24 Cb 0.32 -1.71 -0.05 0.00 -1.14 0.00 0.00 41.12 38.54 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 -2.21 5.03 -0.41 2.12 1.01 -0.18 -4.94 121.20 121.61 1ija s ILE 25 Ca 0.02 0.54 0.05 0.00 0.00 0.00 0.00 60.65 61.26 1ija s ILE 25 Cb -0.01 -3.67 0.18 0.00 0.01 0.00 0.00 42.46 38.98 1ija s ILE 25 CO 0.02 0.27 0.73 -0.75 0.00 0.00 0.00 174.94 175.21 1ija s LYS 26 N -1.94 0.74 0.07 2.79 2.20 -1.26 -1.22 119.74 121.12 1ija s LYS 26 Ca 0.35 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1ija s LYS 26 Cb -0.14 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 1ija s LYS 26 CO 0.18 -1.03 -0.05 -1.21 -0.36 0.00 0.00 175.35 172.88 1ija s GLU 27 N 1.67 0.71 0.66 4.03 2.02 -0.97 -4.98 118.70 121.84 1ija s GLU 27 Ca 0.18 -1.27 -0.12 0.00 0.02 0.00 0.00 54.97 53.79 1ija s GLU 27 Cb -0.02 0.02 -0.01 0.00 0.10 0.00 0.00 34.13 34.22 1ija s GLU 27 CO -0.08 -0.07 1.05 -1.25 0.02 0.00 0.00 175.26 174.93 1ija s PRO 28 N -3.87 3.20 -0.31 0.39 0.04 -1.26 -1.44 135.00 131.75 1ija s PRO 28 Ca 0.09 0.92 -0.02 0.00 0.04 0.00 0.00 61.00 62.04 1ija s PRO 28 Cb 0.07 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.69 1ija s PRO 28 CO -0.08 -0.89 0.13 0.08 0.04 0.00 0.00 177.00 176.29 1ija s VAL 29 N -3.00 0.47 0.90 -0.36 1.01 -0.58 -3.67 120.40 115.16 1ija s VAL 29 Ca 0.58 -1.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 1ija s VAL 29 Cb -0.13 -1.37 0.13 0.00 0.00 0.00 0.00 36.38 35.01 1ija s VAL 29 CO 0.52 -0.74 1.16 -0.31 0.00 0.00 0.00 175.10 175.73 1ija s TYR 30 N 1.69 2.52 0.50 5.22 2.02 -0.77 -1.97 117.35 126.55 1ija s TYR 30 Ca 0.11 0.78 -0.02 0.00 -0.37 0.00 0.00 57.07 57.56 1ija s TYR 30 Cb -0.18 -3.47 -0.00 0.00 -0.40 0.00 0.00 41.96 37.91 1ija s TYR 30 CO -0.26 -2.27 0.76 -1.25 -1.57 0.00 0.00 175.55 170.95 1ija s PRO 31 N -5.40 3.05 0.00 -1.71 0.04 -1.26 -2.35 135.00 127.37 1ija s PRO 31 Ca 0.64 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1ija s PRO 31 Cb -0.13 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1ija s PRO 31 CO 0.52 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.56 1ija n GLY 32 N -2.26 2.51 3.66 0.56 0.00 -1.26 -4.55 105.19 103.85 1ija n GLY 32 Ca 0.02 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.81 4.26 -0.76 1.61 0.04 -1.26 -3.47 135.00 133.61 1ija s PRO 33 Ca 0.00 1.45 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 1ija s PRO 33 Cb 0.00 -3.67 -0.25 0.00 0.04 0.00 0.00 34.50 30.62 1ija s PRO 33 CO 0.00 -0.63 1.90 0.00 0.04 0.00 0.00 177.00 178.31 1ija n ALA 34 N 6.32 0.93 -3.14 8.56 0.00 -1.15 -4.84 120.51 127.19 1ija n ALA 34 Ca 0.12 -0.92 -0.35 0.00 0.00 0.00 0.00 53.44 52.29 1ija n ALA 34 Cb 0.46 -2.04 -0.13 0.00 0.00 0.00 0.00 19.45 17.74 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 1.25 3.94 0.32 0.00 -4.23 -1.26 -4.98 115.64 110.68 1ija s THR 35 Ca 0.99 -0.31 0.08 0.00 -1.18 0.00 0.00 61.69 61.26 1ija s THR 35 Cb -0.60 -2.79 0.36 0.00 1.34 0.00 0.00 72.50 70.81 1ija s THR 35 CO 0.40 0.42 1.61 -0.65 -0.54 0.00 0.00 174.62 175.85 1ija h PRO 36 N 7.65 0.10 0.00 3.99 0.11 -1.98 2.24 132.00 144.11 1ija h PRO 36 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1ija h PRO 36 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ija h PRO 36 CO 0.61 0.06 0.00 1.05 -0.21 0.00 0.00 178.00 179.51 1ija h GLU 37 N 0.10 0.00 0.00 1.05 4.11 -1.97 -2.34 114.58 115.52 1ija h GLU 37 Ca 0.66 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.09 1ija h GLU 37 Cb 1.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1ija h GLU 37 CO -0.77 0.00 -0.04 0.94 0.07 0.00 0.00 179.01 179.21 1ija n GLN 38 N -2.53 0.02 0.27 1.06 7.27 0.75 -4.30 117.38 119.92 1ija n GLN 38 Ca -0.01 0.08 0.05 0.00 0.07 0.00 0.00 57.00 57.20 1ija n GLN 38 Cb 0.12 -0.62 0.25 0.00 2.41 0.00 0.00 30.24 32.41 1ija n GLN 38 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1ija h LEU 39 N -0.05 0.00 -2.24 1.69 3.38 -1.36 1.57 115.31 118.30 1ija h LEU 39 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ija h LEU 39 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ija h LEU 39 CO 0.00 0.00 -0.05 0.78 0.09 0.00 0.00 178.44 179.26 1ija h ASN 40 N 0.00 0.00 1.15 -0.43 4.21 -1.60 0.47 115.58 119.37 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 1.37 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.57 1ija h ASN 40 CO 0.00 0.05 -0.22 0.54 -1.29 0.00 0.00 177.43 176.51 1ija n ARG 41 N -3.73 0.21 0.00 0.81 1.74 0.53 -5.01 116.66 111.22 1ija n ARG 41 Ca -0.02 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1ija n ARG 41 Cb 0.15 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 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 1.36 -0.48 3.43 -0.13 0.00 0.16 -5.11 105.19 104.42 1ija n GLY 42 Ca 0.05 -0.02 -0.23 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 2.28 0.18 1.61 1.01 -1.24 -4.36 120.40 119.89 1ija s VAL 43 Ca 0.00 -2.32 -0.23 0.00 0.00 0.00 0.00 61.98 59.43 1ija s VAL 43 Cb 0.00 -2.21 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1ija s VAL 43 CO 0.00 -0.42 0.72 -0.94 0.00 0.00 0.00 175.10 174.47 1ija s SER 44 N -3.37 -0.38 0.99 3.32 1.04 -1.16 -1.85 113.70 112.29 1ija s SER 44 Ca 0.27 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.32 1ija s SER 44 Cb -0.04 0.61 0.18 0.00 0.10 0.00 0.00 66.02 66.87 1ija s SER 44 CO 0.12 -1.06 1.10 0.49 0.98 0.00 0.00 173.24 174.88 1ija n PHE 45 N -0.41 0.28 1.08 5.02 3.72 -0.99 -2.30 117.46 123.86 1ija n PHE 45 Ca -0.10 0.26 0.14 0.00 -0.05 0.00 0.00 57.45 57.69 1ija n PHE 45 Cb 0.62 -1.92 0.53 0.00 -0.94 0.00 0.00 39.48 37.77 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 -4.45 2.72 -3.13 4.37 0.00 0.60 -2.91 120.51 117.71 1ija n ALA 46 Ca 0.10 -0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 1ija n ALA 46 Cb 0.53 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.91 0.40 0.53 0.00 2.02 -1.25 -3.54 118.70 113.94 1ija s GLU 47 Ca 0.16 0.05 0.26 0.00 0.02 0.00 0.00 54.97 55.45 1ija s GLU 47 Cb 0.19 0.18 1.48 0.00 0.10 0.00 0.00 34.13 36.08 1ija s GLU 47 CO 0.56 -0.08 2.12 1.05 0.02 0.00 0.00 175.26 178.93 1ija h GLU 48 N 5.06 0.00 -0.12 1.61 4.11 -1.88 -1.94 114.58 121.42 1ija h GLU 48 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1ija h GLU 48 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1ija h GLU 48 CO 0.38 0.09 0.00 -1.71 0.07 0.00 0.00 179.01 177.84 1ija n ASN 49 N -3.85 1.32 -4.73 3.06 5.15 -1.26 -4.61 115.26 110.34 1ija n ASN 49 Ca -0.02 -1.63 -0.32 0.00 -0.60 0.00 0.00 54.58 52.01 1ija n ASN 49 Cb 0.19 -0.08 0.11 0.00 -0.53 0.00 0.00 39.78 39.47 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1ija s GLU 50 N -1.85 1.93 0.36 1.20 2.56 -0.73 -5.03 118.70 117.15 1ija s GLU 50 Ca 0.32 1.48 -0.01 0.00 0.00 0.00 0.00 54.97 56.76 1ija s GLU 50 Cb 0.17 -1.84 0.01 0.00 2.00 0.00 0.00 34.13 34.47 1ija s GLU 50 CO 0.26 -1.94 0.49 0.43 -0.56 0.00 0.00 175.26 173.94 1ija n SER 51 N -3.34 -1.35 -1.14 -1.70 7.64 -1.26 -4.99 113.62 107.48 1ija n SER 51 Ca 0.11 -2.96 0.05 0.00 1.01 0.00 0.00 58.87 57.08 1ija n SER 51 Cb 0.52 2.54 0.22 0.00 -1.01 0.00 0.00 64.21 66.47 1ija n SER 51 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ija n LEU 52 N 0.00 3.26 0.00 -3.43 4.32 -1.26 -3.77 117.00 116.12 1ija n LEU 52 Ca 0.01 -1.65 0.00 0.00 -0.02 0.00 0.00 56.01 54.36 1ija n LEU 52 Cb 0.60 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1ija n LEU 52 CO 0.30 0.49 0.00 -0.90 -1.22 0.00 0.00 177.39 176.06 1ija n ASP 53 N 0.45 0.00 -4.61 -1.43 5.75 -1.26 -5.01 116.55 110.44 1ija n ASP 53 Ca 0.15 -0.93 -0.45 0.00 -0.01 0.00 0.00 54.79 53.56 1ija n ASP 53 Cb 0.66 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.71 1ija n ASP 53 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ija n ASP 54 N 0.00 3.40 0.28 -1.12 -0.08 -1.25 -4.72 116.55 113.06 1ija n ASP 54 Ca 0.00 0.56 0.06 0.00 -1.51 0.00 0.00 54.79 53.90 1ija n ASP 54 Cb 0.23 -1.48 0.22 0.00 2.34 0.00 0.00 41.12 42.44 1ija n ASP 54 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 1ija h GLN 55 N 12.47 0.00 -3.37 -0.67 3.07 -1.93 -3.13 115.11 121.55 1ija h GLN 55 Ca -0.43 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 57.77 1ija h GLN 55 Cb 1.26 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.42 1ija h GLN 55 CO 0.96 0.00 -0.76 0.54 0.09 0.00 0.00 178.83 179.66 1ija s ASN 56 N -3.38 3.45 0.27 0.06 4.22 -1.26 0.01 114.94 118.32 1ija s ASN 56 Ca -0.01 -1.22 -0.02 0.00 -2.14 0.00 0.00 52.86 49.47 1ija s ASN 56 Cb 0.03 -0.63 -0.04 0.00 1.28 0.00 0.00 41.25 41.89 1ija s ASN 56 CO 0.11 -0.38 0.50 -0.63 -2.04 0.00 0.00 177.10 174.65 1ija s ILE 57 N 1.83 5.11 -0.27 0.54 1.01 -1.18 -4.94 121.20 123.30 1ija s ILE 57 Ca 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 1ija s ILE 57 Cb -0.17 -3.77 0.10 0.00 0.01 0.00 0.00 42.46 38.63 1ija s ILE 57 CO -0.21 -0.33 0.16 -0.94 0.00 0.00 0.00 174.94 173.62 1ija s SER 58 N -3.40 2.88 0.32 3.58 1.04 -1.26 0.05 113.70 116.91 1ija s SER 58 Ca 0.41 -1.03 0.04 0.00 0.48 0.00 0.00 55.95 55.85 1ija s SER 58 Cb -0.10 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.87 1ija s SER 58 CO 0.31 -0.41 0.47 -0.63 0.98 0.00 0.00 173.24 173.96 1ija s ILE 59 N 2.17 4.74 -0.08 -1.02 1.01 -0.31 0.22 121.20 127.93 1ija s ILE 59 Ca 0.08 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 1ija s ILE 59 Cb -0.16 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.66 1ija s ILE 59 CO -0.31 -0.33 0.19 0.00 0.00 0.00 0.00 174.94 174.50 1ija s ALA 60 N -2.18 -0.43 0.07 9.38 0.00 -0.97 -1.61 121.76 126.02 1ija s ALA 60 Ca 0.40 0.71 -0.06 0.00 0.00 0.00 0.00 51.96 53.01 1ija s ALA 60 Cb -0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1ija s ALA 60 CO 0.32 -0.14 0.11 0.20 0.00 0.00 0.00 175.76 176.25 1ija s GLY 61 N 0.75 0.21 1.19 0.00 0.00 -0.95 -2.97 107.32 105.55 1ija s GLY 61 Ca -0.05 -0.75 -0.20 0.00 0.00 0.00 0.00 44.72 43.71 1ija s GLY 61 CO -0.04 -0.91 1.14 1.42 0.00 0.00 0.00 173.10 174.71 1ija n HIS 62 N 0.18 -3.92 -2.81 1.90 8.25 -1.26 -0.44 115.22 117.12 1ija n HIS 62 Ca -0.16 -1.03 -0.05 0.00 -0.26 0.00 0.00 57.72 56.22 1ija n HIS 62 Cb 0.61 -1.12 0.00 0.00 1.12 0.00 0.00 29.99 30.60 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 -3.14 -0.92 -0.50 1.59 -1.32 -1.14 0.28 115.64 110.48 1ija s THR 63 Ca 0.72 -1.08 -0.23 0.00 -1.21 0.00 0.00 61.69 59.89 1ija s THR 63 Cb -0.06 -0.08 0.04 0.00 -1.51 0.00 0.00 72.50 70.89 1ija s THR 63 CO 0.54 -0.07 0.85 -0.36 -2.21 0.00 0.00 174.62 173.37 1ija s PHE 64 N 0.84 2.90 0.53 9.09 0.40 -1.26 -4.80 117.98 125.68 1ija s PHE 64 Ca 0.30 0.01 0.20 0.00 -0.60 0.00 0.00 56.93 56.84 1ija s PHE 64 Cb 0.00 -3.86 1.37 0.00 0.51 0.00 0.00 43.02 41.04 1ija s PHE 64 CO -0.06 -1.17 2.12 0.82 0.70 0.00 0.00 175.22 177.63 1ija h ILE 65 N 5.99 0.86 -0.12 0.64 2.04 -1.99 0.12 117.51 125.06 1ija h ILE 65 Ca -0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1ija h ILE 65 Cb 1.08 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 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 -4.40 0.97 -2.95 1.72 5.75 -1.26 -4.00 116.55 112.39 1ija n ASP 66 Ca 0.00 -2.04 -0.14 0.00 -0.01 0.00 0.00 54.79 52.60 1ija n ASP 66 Cb 0.23 -0.20 0.02 0.00 -1.03 0.00 0.00 41.12 40.14 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 -0.07 0.88 0.32 0.11 1.74 0.43 -4.97 116.66 115.10 1ija n ARG 67 Ca 0.04 -2.52 0.00 0.00 -0.77 0.00 0.00 57.85 54.61 1ija n ARG 67 Cb 0.19 -1.35 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 1ija n ARG 67 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1ija h PRO 68 N 3.46 0.00 -0.95 5.56 0.11 -1.69 0.78 132.00 139.26 1ija h PRO 68 Ca -0.03 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.67 1ija h PRO 68 Cb 1.00 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 31.87 1ija h PRO 68 CO 0.34 0.00 0.53 0.27 -0.21 0.00 0.00 178.00 178.93 1ija n ASN 69 N -2.48 3.90 -1.55 -2.05 0.23 -1.26 -4.31 115.26 107.74 1ija n ASN 69 Ca -0.00 -3.39 0.00 0.00 -0.53 0.00 0.00 54.58 50.66 1ija n ASN 69 Cb 0.98 -0.79 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 1ija n ASN 69 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ija n TYR 70 N -0.81 0.00 0.00 -2.53 9.36 0.27 -5.07 117.16 118.39 1ija n TYR 70 Ca 0.51 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.73 1ija n TYR 70 Cb 1.52 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 40.23 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 -0.91 2.98 3.00 -1.26 -4.49 117.38 116.70 1ija n GLN 71 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1ija n GLN 71 Cb 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 30.24 30.25 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 0.00 1.86 -0.04 1.08 7.35 0.79 -4.46 117.46 124.04 1ija n PHE 72 Ca 0.00 -1.93 -0.15 0.00 -0.76 0.00 0.00 57.45 54.62 1ija n PHE 72 Cb 0.00 -0.94 -0.12 0.00 0.35 0.00 0.00 39.48 38.77 1ija n PHE 72 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1ija h THR 73 N 0.88 1.65 0.00 -2.13 2.02 -1.77 -3.37 112.91 110.20 1ija h THR 73 Ca 0.36 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.46 1ija h THR 73 Cb 1.24 3.04 0.00 0.00 -1.74 0.00 0.00 68.15 70.69 1ija h THR 73 CO 0.85 0.55 -1.38 0.59 0.37 0.00 0.00 175.52 176.50 1ija n ASN 74 N -4.59 0.53 -0.05 4.18 4.13 -1.26 -4.08 115.26 114.12 1ija n ASN 74 Ca -0.10 0.20 0.24 0.00 1.68 0.00 0.00 54.58 56.60 1ija n ASN 74 Cb 0.47 1.03 0.71 0.00 -1.54 0.00 0.00 39.78 40.46 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 0.00 -0.02 3.41 7.12 -1.81 2.25 115.31 126.27 1ija h LEU 75 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1ija h LEU 75 Cb 1.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 1ija h LEU 75 CO 0.00 0.00 -0.02 2.29 -0.13 0.00 0.00 178.44 180.58 1ija n LYS 76 N -4.21 0.34 0.16 1.25 2.85 -1.26 -2.80 118.16 114.50 1ija n LYS 76 Ca 0.13 -0.02 0.10 0.00 -1.05 0.00 0.00 58.31 57.47 1ija n LYS 76 Cb 0.75 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.71 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 3.34 0.78 -3.00 0.58 0.00 0.35 -3.46 119.26 117.86 1ija h ALA 77 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ija h ALA 77 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ija h ALA 77 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1ija n ALA 78 N -2.16 0.00 -3.30 0.00 0.00 -1.12 -4.96 120.51 108.96 1ija n ALA 78 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1ija n ALA 78 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 1ija n ALA 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ija s LYS 79 N -1.91 0.95 -0.43 0.00 2.20 -1.26 -5.08 119.74 114.21 1ija s LYS 79 Ca 0.00 -0.16 -0.34 0.00 -0.36 0.00 0.00 55.97 55.11 1ija s LYS 79 Cb 0.00 0.43 -0.12 0.00 -1.51 0.00 0.00 37.83 36.63 1ija s LYS 79 CO 0.00 -0.32 2.26 1.17 -0.36 0.00 0.00 175.35 178.10 1ija n LYS 80 N 0.68 0.90 0.00 4.03 4.81 -1.26 -1.61 118.16 125.71 1ija n LYS 80 Ca -0.19 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1ija n LYS 80 Cb 0.59 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.23 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 6.56 0.96 0.94 3.14 0.00 -0.61 -4.99 105.19 111.19 1ija n GLY 81 Ca 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 1ija n GLY 81 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ija n SER 82 N 0.00 -1.76 -4.20 1.61 7.64 -0.63 -4.72 113.62 111.56 1ija n SER 82 Ca 0.00 -0.53 -0.25 0.00 1.01 0.00 0.00 58.87 59.10 1ija n SER 82 Cb 0.00 -0.28 -0.08 0.00 -1.01 0.00 0.00 64.21 62.84 1ija n SER 82 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1ija s MET 83 N -3.65 1.90 -0.22 1.43 -1.94 -1.26 -2.79 119.30 112.76 1ija s MET 83 Ca 0.19 -2.15 -0.03 0.00 -1.71 0.00 0.00 55.69 51.99 1ija s MET 83 Cb -0.02 -0.68 0.10 0.00 2.01 0.00 0.00 34.83 36.24 1ija s MET 83 CO 0.15 -0.43 0.25 0.08 -0.01 0.00 0.00 175.02 175.06 1ija s VAL 84 N -3.22 -0.37 -0.49 -6.03 1.01 -1.03 -4.81 120.40 105.47 1ija s VAL 84 Ca 0.25 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 1ija s VAL 84 Cb 0.03 -0.73 0.06 0.00 0.00 0.00 0.00 36.38 35.74 1ija s VAL 84 CO 0.14 -0.23 0.57 -0.31 0.00 0.00 0.00 175.10 175.27 1ija s TYR 85 N 2.36 3.10 -0.40 5.22 2.02 -1.02 -2.81 117.35 125.81 1ija s TYR 85 Ca 0.08 -0.60 -0.18 0.00 -0.37 0.00 0.00 57.07 56.00 1ija s TYR 85 Cb -0.16 -3.42 0.01 0.00 -0.40 0.00 0.00 41.96 38.00 1ija s TYR 85 CO -0.15 -0.96 0.49 0.12 -1.57 0.00 0.00 175.55 173.48 1ija s PHE 86 N 2.40 3.15 -0.02 2.71 5.36 -1.15 -2.40 117.98 128.03 1ija s PHE 86 Ca 0.13 -0.14 0.01 0.00 -0.96 0.00 0.00 56.93 55.97 1ija s PHE 86 Cb -0.20 -2.98 -0.04 0.00 -0.34 0.00 0.00 43.02 39.47 1ija s PHE 86 CO 0.11 -0.67 0.01 0.15 -1.46 0.00 0.00 175.22 173.36 1ija s LYS 87 N 2.34 2.87 -0.29 10.12 1.02 -0.12 -0.52 119.74 135.15 1ija s LYS 87 Ca 0.16 -0.55 -0.16 0.00 0.02 0.00 0.00 55.97 55.44 1ija s LYS 87 Cb -0.16 -2.72 0.14 0.00 -0.52 0.00 0.00 37.83 34.57 1ija s LYS 87 CO 0.15 0.64 0.94 0.54 -0.92 0.00 0.00 175.35 176.70 1ija s VAL 88 N -1.06 -0.03 0.00 3.17 0.11 -1.12 0.49 120.40 121.97 1ija s VAL 88 Ca 0.19 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 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 0.09 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.47 1ija n GLY 89 N 3.84 1.38 0.71 6.54 0.00 -1.26 -2.66 105.19 113.74 1ija n GLY 89 Ca -0.18 0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 9.41 0.21 -3.85 1.61 5.15 -1.26 -5.07 115.26 121.46 1ija n ASN 90 Ca 0.00 -1.99 -0.12 0.00 -0.60 0.00 0.00 54.58 51.87 1ija n ASN 90 Cb 0.00 -0.22 -0.14 0.00 -0.53 0.00 0.00 39.78 38.89 1ija n ASN 90 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ija s GLU 91 N 0.00 0.01 -0.03 1.20 2.02 -1.09 -5.15 118.70 115.66 1ija s GLU 91 Ca 0.07 0.04 0.08 0.00 0.02 0.00 0.00 54.97 55.18 1ija s GLU 91 Cb 0.08 -0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.27 1ija s GLU 91 CO -0.04 -0.02 -0.26 -0.08 0.02 0.00 0.00 175.26 174.89 1ija s THR 92 N 0.14 2.07 0.60 3.63 -1.32 -1.26 -2.79 115.64 116.71 1ija s THR 92 Ca -0.01 -1.09 -0.01 0.00 -1.21 0.00 0.00 61.69 59.37 1ija s THR 92 Cb -0.02 -1.72 0.05 0.00 -1.51 0.00 0.00 72.50 69.30 1ija s THR 92 CO -0.00 0.58 0.85 -0.13 -2.21 0.00 0.00 174.62 173.70 1ija s ARG 93 N -0.51 2.38 -0.11 7.08 1.81 0.32 -4.91 118.95 125.01 1ija s ARG 93 Ca 0.07 -0.70 -0.05 0.00 -1.72 0.00 0.00 55.73 53.33 1ija s ARG 93 Cb -0.11 -2.40 0.05 0.00 -0.45 0.00 0.00 34.95 32.04 1ija s ARG 93 CO 0.00 -0.90 0.25 -1.59 -0.68 0.00 0.00 175.30 172.38 1ija s LYS 94 N -4.90 0.20 0.36 3.54 -2.85 -1.26 -2.94 119.74 111.87 1ija s LYS 94 Ca 0.59 0.56 0.04 0.00 -1.00 0.00 0.00 55.97 56.15 1ija s LYS 94 Cb -0.10 -0.11 -0.05 0.00 -2.06 0.00 0.00 37.83 35.51 1ija s LYS 94 CO 0.40 -0.18 0.08 0.71 0.10 0.00 0.00 175.35 176.46 1ija s TYR 95 N 1.43 1.90 -0.10 1.78 1.51 -1.12 -4.31 117.35 118.44 1ija s TYR 95 Ca -0.08 -1.06 -0.03 0.00 -1.01 0.00 0.00 57.07 54.89 1ija s TYR 95 Cb -0.11 -1.25 0.05 0.00 -0.11 0.00 0.00 41.96 40.54 1ija s TYR 95 CO -0.09 -0.08 0.12 0.21 -1.11 0.00 0.00 175.55 174.61 1ija s LYS 96 N -3.84 0.02 -0.88 -0.62 2.20 -0.93 -2.47 119.74 113.22 1ija s LYS 96 Ca 0.31 0.35 -0.18 0.00 -0.36 0.00 0.00 55.97 56.10 1ija s LYS 96 Cb 0.07 -0.72 -0.23 0.00 -1.51 0.00 0.00 37.83 35.44 1ija s LYS 96 CO 0.15 -0.41 2.27 -1.33 -0.36 0.00 0.00 175.35 175.66 1ija n MET 97 N 5.31 0.29 -0.41 4.03 2.81 -1.12 -2.95 117.12 125.07 1ija n MET 97 Ca -0.05 -0.47 0.07 0.00 -1.81 0.00 0.00 57.70 55.44 1ija n MET 97 Cb 0.50 -2.44 0.19 0.00 -0.71 0.00 0.00 33.22 30.75 1ija n MET 97 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1ija n THR 98 N 7.25 2.13 -3.64 2.03 -1.04 -1.12 -1.57 114.28 118.31 1ija n THR 98 Ca 0.56 -2.77 -0.04 0.00 -2.04 0.00 0.00 64.05 59.75 1ija n THR 98 Cb 0.30 -0.25 -0.07 0.00 -1.82 0.00 0.00 70.33 68.49 1ija n THR 98 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ija s SER 99 N -2.97 -0.22 -0.03 8.00 0.01 -1.06 -4.93 113.70 112.50 1ija s SER 99 Ca 0.37 0.41 -0.01 0.00 1.31 0.00 0.00 55.95 58.03 1ija s SER 99 Cb 0.34 0.54 0.03 0.00 0.21 0.00 0.00 66.02 67.14 1ija s SER 99 CO -0.02 -0.07 0.06 -0.63 0.41 0.00 0.00 173.24 172.99 1ija s ILE 100 N 0.31 -0.06 -2.21 1.44 1.01 -1.26 0.19 121.20 120.62 1ija s ILE 100 Ca 0.03 0.22 0.18 0.00 0.00 0.00 0.00 60.65 61.08 1ija s ILE 100 Cb -0.05 -0.12 0.17 0.00 0.01 0.00 0.00 42.46 42.48 1ija s ILE 100 CO -0.12 0.09 1.10 0.54 0.00 0.00 0.00 174.94 176.55 1ija n ARG 101 N 4.24 1.62 -0.36 2.79 1.74 -0.94 -4.70 116.66 121.04 1ija n ARG 101 Ca -0.27 -1.64 -0.08 0.00 -0.77 0.00 0.00 57.85 55.09 1ija n ARG 101 Cb 0.50 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 1ija n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ija n ASP 102 N 1.03 2.19 0.00 0.55 2.03 0.20 -3.32 116.55 119.23 1ija n ASP 102 Ca 0.11 -2.00 0.00 0.00 0.52 0.00 0.00 54.79 53.42 1ija n ASP 102 Cb 0.46 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 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 3.75 0.00 -2.95 5.18 0.31 -1.26 -4.85 118.33 118.50 1ija n VAL 103 Ca 0.19 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.24 1ija n VAL 103 Cb 0.17 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.06 1ija n VAL 103 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1ija n LYS 104 N -1.67 3.41 -1.53 5.55 2.85 -1.23 -5.02 118.16 120.52 1ija n LYS 104 Ca 0.00 -4.83 -0.14 0.00 -1.05 0.00 0.00 58.31 52.29 1ija n LYS 104 Cb 0.00 -2.27 -0.10 0.00 -0.65 0.00 0.00 35.03 32.01 1ija n LYS 104 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1ija n PRO 105 N -0.12 0.36 -2.29 -1.58 -0.04 -1.21 -4.36 135.00 125.75 1ija n PRO 105 Ca 0.32 -0.78 -0.01 0.00 -0.04 0.00 0.00 63.50 62.99 1ija n PRO 105 Cb 0.38 -3.11 0.09 0.00 -0.04 0.00 0.00 33.50 30.82 1ija n PRO 105 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ija n THR 106 N 8.04 0.00 0.00 0.52 -1.04 -1.26 -4.98 114.28 115.56 1ija n THR 106 Ca 0.48 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1ija n THR 106 Cb 0.38 0.84 0.00 0.00 -1.82 0.00 0.00 70.33 69.73 1ija n THR 106 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ija n ASP 107 N -1.03 0.00 -0.79 8.00 9.92 -1.26 -4.75 116.55 126.63 1ija n ASP 107 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1ija n ASP 107 Cb 0.76 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.24 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 0.57 0.00 2.53 0.24 -1.26 -4.77 118.33 115.63 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 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 31.59 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 0.31 4.43 0.25 7.63 0.00 -1.26 -4.82 105.19 111.73 1ija n GLY 109 Ca 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.16 1.61 2.07 -1.94 -3.35 116.25 113.75 1ija h VAL 110 Ca 0.00 -1.36 -0.57 0.00 0.82 0.00 0.00 66.70 65.59 1ija h VAL 110 Cb 0.00 1.30 -0.39 0.00 -1.52 0.00 0.00 31.29 30.69 1ija h VAL 110 CO 0.00 0.44 -1.02 0.18 0.02 0.00 0.00 177.57 177.19 1ija n LEU 111 N -4.10 0.24 -4.80 2.57 4.77 -1.26 -5.09 117.00 109.34 1ija n LEU 111 Ca -0.00 -4.65 -0.38 0.00 -0.03 0.00 0.00 56.01 50.95 1ija n LEU 111 Cb 0.44 0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.96 1ija n LEU 111 CO 0.44 1.99 0.10 -0.62 -1.33 0.00 0.00 177.39 177.97 1ija s ASP 112 N -0.86 6.73 -0.14 -1.43 2.15 -1.26 -4.95 116.67 116.91 1ija s ASP 112 Ca 0.34 0.86 0.11 0.00 0.43 0.00 0.00 52.55 54.30 1ija s ASP 112 Cb 0.12 -2.25 0.56 0.00 -0.30 0.00 0.00 42.92 41.05 1ija s ASP 112 CO -0.14 0.22 1.38 -1.84 -0.17 0.00 0.00 175.17 174.63 1ija n GLU 113 N 2.46 3.50 -1.53 4.34 0.00 -1.26 -3.82 120.64 124.33 1ija n GLU 113 Ca -0.12 -2.16 0.00 0.00 0.00 0.00 0.00 57.16 54.88 1ija n GLU 113 Cb 0.52 -1.94 0.00 0.00 0.00 0.00 0.00 31.44 30.02 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 0.54 0.22 -0.35 3.44 0.00 -1.26 -4.91 117.38 115.07 1ija n GLN 114 Ca 0.19 -1.81 -0.09 0.00 0.00 0.00 0.00 57.00 55.29 1ija n GLN 114 Cb 0.84 0.02 -0.08 0.00 0.00 0.00 0.00 30.24 31.02 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 0.16 -0.36 0.00 2.61 4.76 -1.25 -4.83 118.16 119.25 1ija n LYS 115 Ca -0.05 1.37 0.00 0.00 -2.87 0.00 0.00 58.31 56.76 1ija n LYS 115 Cb 0.97 -2.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1ija n LYS 115 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ija n GLY 116 N -1.21 0.03 0.00 0.72 0.00 -1.26 -5.09 105.19 98.38 1ija n GLY 116 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ija n GLY 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ija n LYS 117 N 0.00 3.52 -4.51 1.61 4.81 -1.26 -5.13 118.16 117.19 1ija n LYS 117 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 1ija n LYS 117 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 1ija n LYS 117 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ija s ASP 118 N -1.00 3.84 0.00 3.14 1.11 -1.26 -5.04 116.67 117.46 1ija s ASP 118 Ca 0.00 -1.19 -0.02 0.00 0.18 0.00 0.00 52.55 51.52 1ija s ASP 118 Cb 0.00 -0.39 -0.01 0.00 1.07 0.00 0.00 42.92 43.59 1ija s ASP 118 CO 0.00 -0.25 0.06 0.29 1.18 0.00 0.00 175.17 176.45 1ija n LYS 119 N -0.85 0.00 -4.40 8.23 4.76 -1.26 -4.61 118.16 120.03 1ija n LYS 119 Ca -0.05 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.16 1ija n LYS 119 Cb 0.64 -0.09 -0.08 0.00 -1.84 0.00 0.00 35.03 33.66 1ija n LYS 119 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1ija s GLN 120 N -0.01 1.89 -0.23 1.97 -0.21 0.10 -1.34 119.66 121.84 1ija s GLN 120 Ca 0.05 -2.14 -0.03 0.00 0.02 0.00 0.00 55.36 53.27 1ija s GLN 120 Cb -0.08 -0.07 0.11 0.00 1.00 0.00 0.00 33.01 33.97 1ija s GLN 120 CO 0.03 -0.61 0.25 -1.17 -2.12 0.00 0.00 175.29 171.67 1ija s LEU 121 N -3.50 -0.15 -0.14 2.90 2.96 -0.26 -3.09 118.68 117.38 1ija s LEU 121 Ca 0.32 -0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 53.73 1ija s LEU 121 Cb 0.02 0.44 -0.04 0.00 0.50 0.00 0.00 46.19 47.10 1ija s LEU 121 CO 0.23 -0.34 0.37 -0.89 -1.32 0.00 0.00 176.35 174.40 1ija s THR 122 N 2.34 5.25 0.09 3.68 2.01 0.11 -2.47 115.64 126.66 1ija s THR 122 Ca 0.08 0.73 0.06 0.00 0.31 0.00 0.00 61.69 62.86 1ija s THR 122 Cb -0.15 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1ija s THR 122 CO -0.18 0.36 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.31 1ija s LEU 123 N 0.55 3.29 -0.03 4.42 1.02 -0.81 -1.16 118.68 125.96 1ija s LEU 123 Ca 0.21 -0.26 -0.03 0.00 0.02 0.00 0.00 54.13 54.07 1ija s LEU 123 Cb -0.14 -2.04 0.01 0.00 0.02 0.00 0.00 46.19 44.04 1ija s LEU 123 CO 0.07 0.18 0.08 -0.63 0.02 0.00 0.00 176.35 176.07 1ija s ILE 124 N -1.26 0.00 0.50 -0.59 1.01 -0.63 -2.92 121.20 117.31 1ija s ILE 124 Ca 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.86 1ija s ILE 124 Cb -0.11 -0.14 0.02 0.00 0.01 0.00 0.00 42.46 42.23 1ija s ILE 124 CO 0.16 -0.02 0.72 0.42 0.00 0.00 0.00 174.94 176.21 1ija s THR 125 N -0.03 3.31 -0.10 2.92 -4.23 -1.18 -2.24 115.64 114.09 1ija s THR 125 Ca -0.01 -0.60 -0.05 0.00 -1.18 0.00 0.00 61.69 59.85 1ija s THR 125 Cb -0.01 -3.23 0.05 0.00 1.34 0.00 0.00 72.50 70.65 1ija s THR 125 CO 0.00 -0.16 0.24 0.00 -0.54 0.00 0.00 174.62 174.16 1ija s ASP 127 N 1.41 -0.24 -0.71 0.00 2.15 -1.26 -2.88 116.67 115.13 1ija s ASP 127 Ca -0.08 0.40 -0.01 0.00 0.43 0.00 0.00 52.55 53.29 1ija s ASP 127 Cb -0.11 0.98 -0.02 0.00 -0.30 0.00 0.00 42.92 43.48 1ija s ASP 127 CO -0.08 -0.06 0.66 0.47 -0.17 0.00 0.00 175.17 175.98 1ija n ASP 128 N 3.09 -6.72 -4.71 -0.34 8.00 -1.26 -4.08 116.55 110.53 1ija n ASP 128 Ca -0.17 -0.22 -0.42 0.00 0.71 0.00 0.00 54.79 54.70 1ija n ASP 128 Cb 0.57 -4.67 -0.03 0.00 -0.02 0.00 0.00 41.12 36.96 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 -3.09 2.84 -0.37 1.24 6.14 -1.26 -2.66 117.35 120.18 1ija s TYR 129 Ca 0.11 0.50 -0.25 0.00 0.64 0.00 0.00 57.07 58.07 1ija s TYR 129 Cb -0.01 -3.96 0.01 0.00 0.42 0.00 0.00 41.96 38.42 1ija s TYR 129 CO 0.64 -3.65 0.88 1.21 0.64 0.00 0.00 175.55 175.27 1ija s ASN 130 N 1.57 6.64 0.00 4.32 3.84 -0.51 -4.74 114.94 126.05 1ija s ASN 130 Ca 0.72 0.50 0.29 0.00 0.21 0.00 0.00 52.86 54.58 1ija s ASN 130 Cb -0.43 -2.44 1.30 0.00 -0.55 0.00 0.00 41.25 39.13 1ija s ASN 130 CO 0.32 -0.82 1.89 -1.84 -2.79 0.00 0.00 177.10 173.86 1ija n GLU 131 N 6.65 0.92 -0.01 0.43 0.28 -1.26 -1.75 120.64 125.90 1ija n GLU 131 Ca 0.06 -0.33 -0.18 0.00 -0.16 0.00 0.00 57.16 56.54 1ija n GLU 131 Cb 0.48 -1.49 -0.14 0.00 1.43 0.00 0.00 31.44 31.72 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 0.80 0.17 0.00 3.44 1.57 -1.93 -3.36 116.57 117.27 1ija h LYS 132 Ca 0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1ija h LYS 132 Cb 0.33 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1ija h LYS 132 CO 0.00 1.14 -1.39 0.25 -0.57 0.00 0.00 179.45 178.88 1ija n THR 133 N -4.27 0.17 -2.30 -0.16 -2.24 -1.25 -4.98 114.28 99.26 1ija n THR 133 Ca -0.16 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1ija n THR 133 Cb 0.72 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 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 1.30 0.77 3.20 3.38 0.00 -0.72 -5.06 105.19 108.07 1ija n GLY 134 Ca -0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.66 0.13 -0.18 1.61 1.01 -1.02 -5.01 120.40 114.27 1ija s VAL 135 Ca 0.00 -1.09 -0.28 0.00 0.00 0.00 0.00 61.98 60.61 1ija s VAL 135 Cb 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1ija s VAL 135 CO 0.00 -0.60 2.12 0.26 0.00 0.00 0.00 175.10 176.88 1ija s TRP 136 N -3.49 1.27 0.00 5.22 0.52 -1.26 -1.43 118.94 119.77 1ija s TRP 136 Ca 0.02 0.36 0.00 0.00 0.02 0.00 0.00 56.10 56.50 1ija s TRP 136 Cb 0.03 -4.00 0.00 0.00 -1.15 0.00 0.00 33.47 28.35 1ija s TRP 136 CO -0.09 -4.24 0.24 -1.91 0.02 0.00 0.00 176.95 170.97 1ija n GLU 137 N 8.47 0.00 -3.59 4.98 4.07 -1.09 -4.52 120.64 128.95 1ija n GLU 137 Ca 0.27 0.24 -0.31 0.00 -0.06 0.00 0.00 57.16 57.30 1ija n GLU 137 Cb 0.44 -0.71 -0.05 0.00 -0.06 0.00 0.00 31.44 31.06 1ija n GLU 137 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1ija s LYS 138 N -0.50 3.65 -0.16 5.31 1.02 -1.26 -4.97 119.74 122.82 1ija s LYS 138 Ca 0.00 -0.03 -0.32 0.00 0.02 0.00 0.00 55.97 55.64 1ija s LYS 138 Cb 0.00 -2.79 0.14 0.00 -0.52 0.00 0.00 37.83 34.66 1ija s LYS 138 CO 0.00 0.41 1.12 -0.98 -0.92 0.00 0.00 175.35 174.98 1ija s ARG 139 N -2.83 0.44 0.21 1.68 1.70 -1.26 -4.35 118.95 114.53 1ija s ARG 139 Ca 0.42 -0.09 0.05 0.00 -0.47 0.00 0.00 55.73 55.64 1ija s ARG 139 Cb -0.12 0.20 -0.05 0.00 -0.57 0.00 0.00 34.95 34.42 1ija s ARG 139 CO 0.25 -0.18 -0.06 0.15 -1.08 0.00 0.00 175.30 174.38 1ija s LYS 140 N -2.16 1.27 -0.04 3.89 1.02 -1.26 -4.94 119.74 117.52 1ija s LYS 140 Ca 0.06 -1.60 0.01 0.00 0.02 0.00 0.00 55.97 54.46 1ija s LYS 140 Cb -0.01 -0.74 0.02 0.00 -0.52 0.00 0.00 37.83 36.58 1ija s LYS 140 CO -0.05 0.01 -0.04 0.42 -0.92 0.00 0.00 175.35 174.77 1ija s ILE 141 N -3.29 0.47 0.31 2.17 1.01 -1.26 -3.12 121.20 117.50 1ija s ILE 141 Ca 0.24 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.87 1ija s ILE 141 Cb 0.04 -0.50 -0.06 0.00 0.01 0.00 0.00 42.46 41.95 1ija s ILE 141 CO 0.06 0.20 -0.07 -0.36 0.00 0.00 0.00 174.94 174.78 1ija s PHE 142 N 0.83 2.16 -0.03 3.97 0.40 -1.15 0.60 117.98 124.77 1ija s PHE 142 Ca -0.11 -0.63 -0.09 0.00 -0.60 0.00 0.00 56.93 55.51 1ija s PHE 142 Cb -0.13 -1.26 0.01 0.00 0.51 0.00 0.00 43.02 42.15 1ija s PHE 142 CO -0.00 0.40 0.20 0.08 0.70 0.00 0.00 175.22 176.60 1ija s VAL 143 N -2.85 0.05 -0.04 -0.44 1.01 0.13 -1.93 120.40 116.34 1ija s VAL 143 Ca 0.31 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1ija s VAL 143 Cb 0.04 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.98 1ija s VAL 143 CO 0.14 -0.24 0.11 0.00 0.00 0.00 0.00 175.10 175.10 1ija s ALA 144 N -0.94 -0.26 0.02 5.51 0.00 -1.03 -2.55 121.76 122.50 1ija s ALA 144 Ca -0.10 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 1ija s ALA 144 Cb -0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1ija s ALA 144 CO 0.02 -0.07 0.24 -0.08 0.00 0.00 0.00 175.76 175.87 1ija s THR 145 N -0.10 5.36 0.00 0.00 -1.32 -1.15 -1.11 115.64 117.31 1ija s THR 145 Ca -0.02 -0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1ija s THR 145 Cb -0.02 -3.57 0.00 0.00 -1.51 0.00 0.00 72.50 67.40 1ija s THR 145 CO 0.00 0.28 0.41 1.21 -2.21 0.00 0.00 174.62 174.31 1ija n GLU 146 N 0.83 0.27 0.00 7.08 2.13 -0.45 -2.19 120.64 128.32 1ija n GLU 146 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 1ija n GLU 146 Cb 0.52 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.87 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 1.35 0.00 1.76 6.31 0.31 -1.26 -4.88 118.33 121.91 1ija n VAL 147 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 1ija n VAL 147 Cb 0.14 0.00 0.74 0.00 -0.91 0.00 0.00 33.84 33.81 1ija n VAL 147 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80