#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 1.50 -0.47 0.03 -2.07 -1.26 -5.10 119.66 112.28 1ija s GLN 2 Ca 0.00 -0.77 0.04 0.00 -1.82 0.00 0.00 55.36 52.80 1ija s GLN 2 Cb 0.00 0.54 0.21 0.00 -1.09 0.00 0.00 33.01 32.67 1ija s GLN 2 CO 0.00 -0.68 0.85 0.00 -1.32 0.00 0.00 175.29 174.14 1ija n ALA 3 N -0.43 -2.23 -1.37 2.60 0.00 -1.26 -5.10 120.51 112.72 1ija n ALA 3 Ca -0.07 -0.86 -0.53 0.00 0.00 0.00 0.00 53.44 51.98 1ija n ALA 3 Cb 0.61 -1.87 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 1ija n ALA 3 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ija n LYS 4 N 2.59 0.51 0.00 0.00 2.85 -1.26 -4.92 118.16 117.94 1ija n LYS 4 Ca 0.15 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.53 1ija n LYS 4 Cb 0.59 -1.99 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 1ija n LYS 4 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1ija n PRO 5 N 7.95 3.19 -2.00 -1.58 -0.04 -1.26 -4.92 135.00 136.34 1ija n PRO 5 Ca 0.49 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.53 1ija n PRO 5 Cb 0.11 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.54 1ija n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ija s GLN 6 N 0.44 4.07 -0.31 0.54 -0.21 -1.26 -4.95 119.66 117.99 1ija s GLN 6 Ca 0.00 2.11 0.03 0.00 0.02 0.00 0.00 55.36 57.51 1ija s GLN 6 Cb 0.00 -4.02 0.16 0.00 1.00 0.00 0.00 33.01 30.16 1ija s GLN 6 CO 0.00 -0.98 0.42 0.42 -2.12 0.00 0.00 175.29 173.04 1ija s ILE 7 N 4.42 -0.63 0.76 1.08 1.01 -1.26 -4.95 121.20 121.63 1ija s ILE 7 Ca 0.75 -0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.87 1ija s ILE 7 Cb -0.32 -0.90 -0.13 0.00 0.01 0.00 0.00 42.46 41.12 1ija s ILE 7 CO 0.30 -0.30 -0.34 -2.65 0.00 0.00 0.00 174.94 171.95 1ija n PRO 8 N 5.18 0.02 -0.01 2.79 -0.02 -1.26 -4.91 135.00 136.79 1ija n PRO 8 Ca 0.02 0.01 0.09 0.00 -2.02 0.00 0.00 63.50 61.61 1ija n PRO 8 Cb 0.49 -1.12 -0.14 0.00 -0.02 0.00 0.00 33.50 32.71 1ija n PRO 8 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ija n LYS 9 N 1.61 0.61 -2.46 -0.52 5.02 -1.26 -4.77 118.16 116.38 1ija n LYS 9 Ca 0.04 -0.16 -0.43 0.00 -2.02 0.00 0.00 58.31 55.74 1ija n LYS 9 Cb 0.52 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 1ija n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ija s ASP 10 N -4.04 6.48 0.00 4.39 1.11 -1.26 -4.83 116.67 118.52 1ija s ASP 10 Ca -0.06 0.69 0.00 0.00 0.18 0.00 0.00 52.55 53.36 1ija s ASP 10 Cb 0.12 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.57 1ija s ASP 10 CO 0.79 -1.34 0.64 0.29 1.18 0.00 0.00 175.17 176.73 1ija n LYS 11 N 7.94 0.00 -1.83 8.23 4.76 -1.26 -1.48 118.16 134.52 1ija n LYS 11 Ca 0.14 0.17 -0.29 0.00 -2.87 0.00 0.00 58.31 55.47 1ija n LYS 11 Cb 0.48 -1.52 0.04 0.00 -1.84 0.00 0.00 35.03 32.19 1ija n LYS 11 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ija n SER 12 N -1.14 6.01 -3.73 4.39 2.88 -1.26 -4.82 113.62 115.95 1ija n SER 12 Ca 0.00 -3.77 -0.12 0.00 -1.33 0.00 0.00 58.87 53.65 1ija n SER 12 Cb 0.02 -0.61 -0.11 0.00 -0.75 0.00 0.00 64.21 62.75 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 -3.70 0.33 0.95 -1.46 2.20 -0.55 -5.15 119.74 112.36 1ija s LYS 13 Ca 0.55 0.58 -0.11 0.00 -0.36 0.00 0.00 55.97 56.64 1ija s LYS 13 Cb 0.44 0.03 0.15 0.00 -1.51 0.00 0.00 37.83 36.94 1ija s LYS 13 CO -0.03 -0.12 1.02 0.28 -0.36 0.00 0.00 175.35 176.14 1ija n VAL 14 N 3.74 0.00 -0.92 4.02 0.31 -1.26 -4.41 118.33 119.81 1ija n VAL 14 Ca -0.20 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1ija n VAL 14 Cb 0.55 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 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 -4.25 0.00 0.00 3.52 0.00 -1.14 -4.79 120.51 113.85 1ija n ALA 15 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1ija n ALA 15 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1ija n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ija n GLY 16 N 0.00 -1.47 3.20 0.00 0.00 -1.25 -4.67 105.19 101.00 1ija n GLY 16 Ca 0.00 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 1ija n GLY 16 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ija s TYR 17 N -2.63 -0.54 0.10 1.61 1.51 -0.44 -2.90 117.35 114.05 1ija s TYR 17 Ca 0.00 1.17 -0.08 0.00 -1.01 0.00 0.00 57.07 57.15 1ija s TYR 17 Cb 0.00 0.20 -0.06 0.00 -0.11 0.00 0.00 41.96 41.99 1ija s TYR 17 CO 0.00 -0.33 0.38 -1.50 -1.11 0.00 0.00 175.55 172.99 1ija s ILE 18 N 1.52 5.14 -0.17 2.71 2.07 -0.62 -1.04 121.20 130.81 1ija s ILE 18 Ca -0.08 0.26 -0.06 0.00 -1.41 0.00 0.00 60.65 59.36 1ija s ILE 18 Cb -0.09 -3.63 0.08 0.00 0.13 0.00 0.00 42.46 38.95 1ija s ILE 18 CO -0.12 0.20 0.35 -0.70 -1.91 0.00 0.00 174.94 172.76 1ija s GLU 19 N -2.19 0.25 -0.07 3.50 2.12 -0.95 -2.78 118.70 118.58 1ija s GLU 19 Ca 0.36 0.89 0.01 0.00 0.36 0.00 0.00 54.97 56.59 1ija s GLU 19 Cb -0.13 0.14 0.02 0.00 0.26 0.00 0.00 34.13 34.42 1ija s GLU 19 CO 0.20 -0.28 -0.07 0.42 -0.54 0.00 0.00 175.26 174.99 1ija s ILE 20 N 2.53 0.83 0.02 -3.70 1.09 -1.10 -2.34 121.20 118.53 1ija s ILE 20 Ca 0.00 -0.26 -0.18 0.00 -1.10 0.00 0.00 60.65 59.11 1ija s ILE 20 Cb -0.12 -0.82 -0.25 0.00 -1.06 0.00 0.00 42.46 40.21 1ija s ILE 20 CO -0.11 0.30 1.11 1.55 -0.10 0.00 0.00 174.94 177.69 1ija h PRO 21 N 7.39 0.50 0.00 2.79 0.13 -1.88 0.46 132.00 141.39 1ija h PRO 21 Ca -0.32 -0.57 0.00 0.00 -0.87 0.00 0.00 66.00 64.24 1ija h PRO 21 Cb 1.16 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ija h PRO 21 CO 0.44 1.20 0.21 -3.47 -0.23 0.00 0.00 178.00 176.15 1ija n ASP 22 N -4.07 0.05 -0.27 1.44 -0.08 -1.26 -0.38 116.55 111.98 1ija n ASP 22 Ca -0.11 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 1ija n ASP 22 Cb 0.77 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.89 1ija n ASP 22 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ija n ALA 23 N -1.35 1.55 -4.25 -1.67 0.00 -1.18 -4.22 120.51 109.39 1ija n ALA 23 Ca -0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 53.44 52.39 1ija n ALA 23 Cb 0.21 -0.26 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 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 0.00 0.59 -4.85 0.00 5.75 0.49 -4.52 116.55 114.02 1ija n ASP 24 Ca 0.00 -1.22 -0.35 0.00 -0.01 0.00 0.00 54.79 53.20 1ija n ASP 24 Cb 0.61 -1.89 -0.06 0.00 -1.03 0.00 0.00 41.12 38.75 1ija n ASP 24 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ija s ILE 25 N -4.26 4.91 -0.40 2.12 -1.09 0.14 -4.92 121.20 117.70 1ija s ILE 25 Ca 0.03 0.77 -0.02 0.00 -2.23 0.00 0.00 60.65 59.20 1ija s ILE 25 Cb -0.02 -3.72 0.20 0.00 -1.58 0.00 0.00 42.46 37.34 1ija s ILE 25 CO 0.98 0.29 0.96 -1.59 -1.23 0.00 0.00 174.94 174.35 1ija s LYS 26 N -1.85 0.51 0.05 2.79 -2.85 -1.24 -2.70 119.74 114.45 1ija s LYS 26 Ca 0.35 -0.48 -0.03 0.00 -1.00 0.00 0.00 55.97 54.81 1ija s LYS 26 Cb -0.15 -0.02 -0.02 0.00 -2.06 0.00 0.00 37.83 35.58 1ija s LYS 26 CO 0.19 -0.64 0.04 -1.21 0.10 0.00 0.00 175.35 173.82 1ija s GLU 27 N 1.03 0.61 0.60 1.78 0.41 -1.12 -4.98 118.70 117.03 1ija s GLU 27 Ca 0.25 -0.99 -0.09 0.00 -0.41 0.00 0.00 54.97 53.73 1ija s GLU 27 Cb 0.08 0.22 -0.02 0.00 -1.78 0.00 0.00 34.13 32.63 1ija s GLU 27 CO -0.09 -0.14 0.96 -1.25 -0.49 0.00 0.00 175.26 174.25 1ija s PRO 28 N -3.29 3.28 -0.19 0.39 0.04 -1.26 -1.58 135.00 132.39 1ija s PRO 28 Ca 0.01 0.40 -0.04 0.00 0.04 0.00 0.00 61.00 61.41 1ija s PRO 28 Cb 0.03 -2.18 0.06 0.00 0.04 0.00 0.00 34.50 32.46 1ija s PRO 28 CO -0.08 -0.61 0.07 0.08 0.04 0.00 0.00 177.00 176.50 1ija s VAL 29 N -3.08 0.15 0.77 -0.36 1.01 -1.14 -3.74 120.40 114.01 1ija s VAL 29 Ca 0.54 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 1ija s VAL 29 Cb -0.11 -0.78 0.06 0.00 0.00 0.00 0.00 36.38 35.56 1ija s VAL 29 CO 0.49 -0.29 1.14 -0.31 0.00 0.00 0.00 175.10 176.14 1ija s TYR 30 N 2.03 3.03 -0.31 5.22 1.51 -0.96 -2.89 117.35 124.98 1ija s TYR 30 Ca 0.01 0.78 -0.22 0.00 -1.01 0.00 0.00 57.07 56.63 1ija s TYR 30 Cb -0.16 -3.37 -0.00 0.00 -0.11 0.00 0.00 41.96 38.32 1ija s TYR 30 CO -0.11 -1.60 0.72 -1.25 -1.11 0.00 0.00 175.55 172.20 1ija s PRO 31 N -5.49 3.93 0.00 -1.71 0.04 -1.26 -3.15 135.00 127.36 1ija s PRO 31 Ca 0.61 0.45 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1ija s PRO 31 Cb -0.11 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.70 1ija s PRO 31 CO 0.49 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1ija n GLY 32 N 4.31 -0.23 3.63 0.56 0.00 -1.26 -4.59 105.19 107.61 1ija n GLY 32 Ca 0.02 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 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 3.99 -0.82 1.61 0.04 -1.26 -3.07 135.00 133.48 1ija s PRO 33 Ca 0.00 1.11 -0.13 0.00 0.04 0.00 0.00 61.00 62.02 1ija s PRO 33 Cb 0.00 -3.80 -0.24 0.00 0.04 0.00 0.00 34.50 30.50 1ija s PRO 33 CO 0.00 -1.01 2.06 0.00 0.04 0.00 0.00 177.00 178.09 1ija n ALA 34 N 7.21 0.81 -2.42 8.56 0.00 -1.04 -4.84 120.51 128.80 1ija n ALA 34 Ca 0.13 -1.06 -0.27 0.00 0.00 0.00 0.00 53.44 52.23 1ija n ALA 34 Cb 0.47 -2.42 -0.12 0.00 0.00 0.00 0.00 19.45 17.38 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 4.59 2.31 0.26 0.00 -4.23 -1.26 -4.99 115.64 112.32 1ija s THR 35 Ca 1.03 -1.95 -0.02 0.00 -1.18 0.00 0.00 61.69 59.56 1ija s THR 35 Cb -0.52 -2.08 0.24 0.00 1.34 0.00 0.00 72.50 71.48 1ija s THR 35 CO 0.36 -0.06 1.83 1.55 -0.54 0.00 0.00 174.62 177.75 1ija h PRO 36 N 3.40 0.89 0.00 3.99 0.13 -1.98 0.83 132.00 139.26 1ija h PRO 36 Ca -0.48 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1ija h PRO 36 Cb 1.20 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ija h PRO 36 CO 0.45 0.59 -0.04 1.05 -0.23 0.00 0.00 178.00 179.82 1ija h GLU 37 N 0.92 0.00 0.00 0.86 4.11 -1.96 -2.20 114.58 116.31 1ija h GLU 37 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.86 1ija h GLU 37 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ija h GLU 37 CO -0.24 0.04 0.00 0.94 0.07 0.00 0.00 179.01 179.83 1ija n GLN 38 N -3.44 0.00 0.31 1.06 0.00 0.17 -4.15 117.38 111.32 1ija n GLN 38 Ca -0.02 0.22 0.06 0.00 -0.00 0.00 0.00 57.00 57.26 1ija n GLN 38 Cb 0.17 -0.71 0.26 0.00 0.00 0.00 0.00 30.24 29.95 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 -2.46 1.69 3.38 -1.33 1.40 115.31 118.00 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 0.49 -0.43 4.21 -1.55 0.37 115.58 118.67 1ija h ASN 40 Ca 0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1ija h ASN 40 Cb 1.66 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.86 1ija h ASN 40 CO -0.00 0.02 -0.59 0.54 -1.29 0.00 0.00 177.43 176.11 1ija n ARG 41 N -3.66 0.04 0.00 0.81 1.74 0.48 -5.03 116.66 111.04 1ija n ARG 41 Ca -0.03 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1ija n ARG 41 Cb 0.11 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.48 -0.35 3.31 -0.13 0.00 0.13 -5.11 105.19 104.51 1ija n GLY 42 Ca 0.05 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 1.69 0.05 1.61 1.01 -1.25 -4.39 120.40 119.12 1ija s VAL 43 Ca 0.00 -1.86 -0.15 0.00 0.00 0.00 0.00 61.98 59.98 1ija s VAL 43 Cb 0.00 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1ija s VAL 43 CO 0.00 -0.34 0.33 -0.44 0.00 0.00 0.00 175.10 174.65 1ija s SER 44 N -2.59 -0.16 1.23 3.32 0.01 -1.16 -2.27 113.70 112.08 1ija s SER 44 Ca 0.14 -0.17 -0.18 0.00 1.31 0.00 0.00 55.95 57.06 1ija s SER 44 Cb -0.06 0.38 0.25 0.00 0.21 0.00 0.00 66.02 66.80 1ija s SER 44 CO 0.06 -0.64 0.60 0.49 0.41 0.00 0.00 173.24 174.16 1ija n PHE 45 N 0.52 -2.19 0.73 2.43 3.72 -1.19 -2.38 117.46 119.10 1ija n PHE 45 Ca -0.18 -0.24 0.13 0.00 -0.05 0.00 0.00 57.45 57.10 1ija n PHE 45 Cb 0.60 -1.51 0.44 0.00 -0.94 0.00 0.00 39.48 38.06 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 -5.01 2.39 -2.95 4.37 0.00 0.16 -2.48 120.51 116.98 1ija n ALA 46 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1ija n ALA 46 Cb 0.55 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.48 1ija n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ija s GLU 47 N -3.08 0.63 0.19 0.00 2.02 -1.26 -3.75 118.70 113.46 1ija s GLU 47 Ca 0.11 -0.54 -0.10 0.00 0.02 0.00 0.00 54.97 54.46 1ija s GLU 47 Cb 0.14 0.26 0.11 0.00 0.10 0.00 0.00 34.13 34.74 1ija s GLU 47 CO 0.59 -0.17 1.73 1.49 0.02 0.00 0.00 175.26 178.92 1ija h GLU 48 N 3.70 1.04 -0.42 1.61 4.81 -1.86 -2.64 114.58 120.82 1ija h GLU 48 Ca -0.32 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1ija h GLU 48 Cb 1.19 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1ija h GLU 48 CO 0.46 0.89 0.00 0.27 -0.73 0.00 0.00 179.01 179.89 1ija n ASN 49 N -4.35 1.72 -4.56 1.04 6.94 -1.26 -4.27 115.26 110.52 1ija n ASN 49 Ca 0.05 -2.09 -0.19 0.00 -0.02 0.00 0.00 54.58 52.33 1ija n ASN 49 Cb 0.20 -0.28 -0.06 0.00 -2.36 0.00 0.00 39.78 37.29 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1ija s GLU 50 N -1.64 1.96 0.29 -3.83 2.56 -0.99 -4.92 118.70 112.12 1ija s GLU 50 Ca 0.18 0.28 -0.10 0.00 0.00 0.00 0.00 54.97 55.33 1ija s GLU 50 Cb 0.10 -4.85 -0.07 0.00 2.00 0.00 0.00 34.13 31.31 1ija s GLU 50 CO 0.10 -4.01 0.62 -1.12 -0.56 0.00 0.00 175.26 170.30 1ija s SER 51 N 9.95 6.60 0.00 -1.70 0.01 -1.26 -4.91 113.70 122.39 1ija s SER 51 Ca 0.85 0.99 0.08 0.00 1.31 0.00 0.00 55.95 59.17 1ija s SER 51 Cb -0.11 -2.25 0.48 0.00 0.21 0.00 0.00 66.02 64.35 1ija s SER 51 CO 0.06 -0.17 0.92 0.00 0.41 0.00 0.00 173.24 174.46 1ija n LEU 52 N -0.52 0.00 0.02 2.44 -0.00 -1.26 -0.63 117.00 117.05 1ija n LEU 52 Ca 0.01 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.13 1ija n LEU 52 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.93 1ija n LEU 52 CO 0.45 0.00 -0.10 0.47 -0.00 0.00 0.00 177.39 178.21 1ija n ASP 53 N -0.97 0.60 -4.66 1.45 9.92 -1.26 -4.90 116.55 116.73 1ija n ASP 53 Ca 0.06 -0.33 -0.44 0.00 -0.53 0.00 0.00 54.79 53.55 1ija n ASP 53 Cb 0.03 0.98 -0.04 0.00 -0.64 0.00 0.00 41.12 41.45 1ija n ASP 53 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ija n ASP 54 N -1.91 3.88 0.15 -2.24 -0.08 0.20 -4.74 116.55 111.81 1ija n ASP 54 Ca 0.02 0.87 0.03 0.00 -1.51 0.00 0.00 54.79 54.20 1ija n ASP 54 Cb 0.43 -1.48 0.17 0.00 2.34 0.00 0.00 41.12 42.58 1ija n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ija n GLN 55 N 7.37 0.05 -3.48 -0.67 10.64 -1.26 -3.67 117.38 126.36 1ija n GLN 55 Ca 0.22 0.50 -0.18 0.00 -1.83 0.00 0.00 57.00 55.71 1ija n GLN 55 Cb 0.37 -2.17 -0.13 0.00 -0.86 0.00 0.00 30.24 27.46 1ija n GLN 55 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1ija s ASN 56 N -2.92 1.31 0.24 2.61 2.47 -1.26 -2.62 114.94 114.76 1ija s ASN 56 Ca -0.01 -0.20 -0.02 0.00 0.42 0.00 0.00 52.86 53.06 1ija s ASN 56 Cb 0.02 0.43 -0.04 0.00 -1.45 0.00 0.00 41.25 40.20 1ija s ASN 56 CO 0.06 -0.33 0.45 -0.63 -3.72 0.00 0.00 177.10 172.93 1ija s ILE 57 N 2.34 5.14 -0.08 -5.21 1.09 -1.05 -4.96 121.20 118.47 1ija s ILE 57 Ca 0.07 -0.24 -0.03 0.00 -1.10 0.00 0.00 60.65 59.35 1ija s ILE 57 Cb -0.16 -3.74 0.05 0.00 -1.06 0.00 0.00 42.46 37.55 1ija s ILE 57 CO -0.12 -0.24 0.16 -0.55 -0.10 0.00 0.00 174.94 174.09 1ija s SER 58 N -3.21 0.45 0.30 3.58 0.15 -1.26 -0.32 113.70 113.37 1ija s SER 58 Ca 0.40 0.34 0.08 0.00 0.70 0.00 0.00 55.95 57.48 1ija s SER 58 Cb -0.11 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 1ija s SER 58 CO 0.30 -0.21 0.11 -0.63 1.20 0.00 0.00 173.24 174.00 1ija s ILE 59 N 1.94 3.49 -0.02 6.45 1.01 -1.07 0.36 121.20 133.37 1ija s ILE 59 Ca -0.01 -1.69 0.00 0.00 0.00 0.00 0.00 60.65 58.95 1ija s ILE 59 Cb -0.12 -3.03 0.03 0.00 0.01 0.00 0.00 42.46 39.35 1ija s ILE 59 CO -0.06 -0.29 0.03 0.00 0.00 0.00 0.00 174.94 174.62 1ija s ALA 60 N -2.32 0.07 0.04 9.38 0.00 -1.00 -1.20 121.76 126.74 1ija s ALA 60 Ca 0.35 0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.55 1ija s ALA 60 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1ija s ALA 60 CO 0.22 -0.10 0.05 0.20 0.00 0.00 0.00 175.76 176.13 1ija s GLY 61 N 0.96 0.27 1.13 0.00 0.00 -1.09 -2.98 107.32 105.61 1ija s GLY 61 Ca -0.08 -0.78 -0.18 0.00 0.00 0.00 0.00 44.72 43.68 1ija s GLY 61 CO -0.03 -0.90 1.15 0.30 0.00 0.00 0.00 173.10 173.62 1ija s HIS 62 N -3.00 0.89 -0.44 1.90 3.76 -1.26 -1.24 115.29 115.91 1ija s HIS 62 Ca -0.02 0.50 0.07 0.00 -0.15 0.00 0.00 55.06 55.47 1ija s HIS 62 Cb 0.01 -3.57 0.18 0.00 1.11 0.00 0.00 32.58 30.31 1ija s HIS 62 CO -0.06 -3.51 0.67 -0.08 -0.85 0.00 0.00 174.74 170.91 1ija s THR 63 N -3.20 -0.98 -0.59 1.30 -1.32 -1.20 -0.64 115.64 109.02 1ija s THR 63 Ca 0.71 -0.28 -0.22 0.00 -1.21 0.00 0.00 61.69 60.70 1ija s THR 63 Cb -0.09 0.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.96 1ija s THR 63 CO 0.55 0.00 0.84 -0.36 -2.21 0.00 0.00 174.62 173.44 1ija s PHE 64 N 1.58 2.84 0.62 9.09 0.08 -1.26 -4.78 117.98 126.14 1ija s PHE 64 Ca 0.20 -0.48 0.29 0.00 0.12 0.00 0.00 56.93 57.06 1ija s PHE 64 Cb -0.03 -4.02 1.54 0.00 -0.57 0.00 0.00 43.02 39.94 1ija s PHE 64 CO -0.07 -1.38 1.92 0.82 -0.10 0.00 0.00 175.22 176.41 1ija h ILE 65 N 5.95 0.24 -0.07 0.64 2.04 -1.98 0.49 117.51 124.82 1ija h ILE 65 Ca -0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1ija h ILE 65 Cb 1.08 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1ija h ILE 65 CO 1.10 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 178.58 1ija n ASP 66 N -3.41 0.83 -2.95 1.72 2.03 -1.26 -4.13 116.55 109.38 1ija n ASP 66 Ca 0.04 -2.04 -0.13 0.00 0.52 0.00 0.00 54.79 53.18 1ija n ASP 66 Cb 0.53 -0.24 -0.01 0.00 -0.72 0.00 0.00 41.12 40.69 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 -0.14 0.58 0.00 -0.67 0.63 0.17 -5.01 116.66 112.22 1ija n ARG 67 Ca 0.03 -2.37 0.00 0.00 -0.92 0.00 0.00 57.85 54.59 1ija n ARG 67 Cb 0.18 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.63 1ija n ARG 67 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1ija n PRO 68 N 2.23 0.00 -2.94 -0.14 -0.02 -1.26 -2.87 135.00 130.00 1ija n PRO 68 Ca 0.18 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.52 1ija n PRO 68 Cb 0.56 -0.79 0.03 0.00 -0.02 0.00 0.00 33.50 33.28 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 -1.12 -3.67 2.55 0.23 -1.26 -4.77 115.26 107.51 1ija n ASN 69 Ca 0.00 -3.30 -0.10 0.00 -0.53 0.00 0.00 54.58 50.65 1ija n ASN 69 Cb 0.00 0.80 -0.10 0.00 -2.08 0.00 0.00 39.78 38.39 1ija n ASN 69 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1ija s TYR 70 N -0.69 -0.69 0.00 -2.53 5.04 -1.14 -5.04 117.35 112.30 1ija s TYR 70 Ca 0.31 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.32 1ija s TYR 70 Cb 0.28 0.25 0.00 0.00 0.35 0.00 0.00 41.96 42.85 1ija s TYR 70 CO -0.10 -0.42 0.00 1.04 -1.34 0.00 0.00 175.55 174.73 1ija n GLN 71 N 4.99 0.00 -0.32 4.97 6.02 -1.26 0.51 117.38 132.29 1ija n GLN 71 Ca -0.14 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 56.96 1ija n GLN 71 Cb 0.51 0.00 0.29 0.00 1.02 0.00 0.00 30.24 32.06 1ija n GLN 71 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ija n PHE 72 N 8.19 0.83 0.20 1.08 3.01 0.18 -4.43 117.46 126.53 1ija n PHE 72 Ca 0.00 -0.42 0.16 0.00 1.01 0.00 0.00 57.45 58.20 1ija n PHE 72 Cb 0.00 0.00 0.61 0.00 -0.01 0.00 0.00 39.48 40.08 1ija n PHE 72 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ija h THR 73 N 3.96 0.11 0.00 4.37 2.02 0.18 -1.21 112.91 122.34 1ija h THR 73 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ija h THR 73 Cb 0.90 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1ija h THR 73 CO 0.00 0.00 -1.02 -3.20 0.37 0.00 0.00 175.52 171.67 1ija n ASN 74 N -3.10 4.89 -0.24 4.18 2.85 -1.26 -4.63 115.26 117.96 1ija n ASN 74 Ca 0.04 0.00 0.15 0.00 -0.11 0.00 0.00 54.58 54.66 1ija n ASN 74 Cb 0.69 0.90 0.46 0.00 1.24 0.00 0.00 39.78 43.07 1ija n ASN 74 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1ija h LEU 75 N 0.00 0.50 0.00 1.20 7.12 -1.44 1.73 115.31 124.42 1ija h LEU 75 Ca -0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1ija h LEU 75 Cb 0.26 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 1ija h LEU 75 CO 0.00 0.23 0.00 2.29 -0.13 0.00 0.00 178.44 180.83 1ija n LYS 76 N -4.53 0.35 0.00 1.25 2.85 -1.16 -2.23 118.16 114.69 1ija n LYS 76 Ca 0.17 0.08 -0.05 0.00 -1.05 0.00 0.00 58.31 57.47 1ija n LYS 76 Cb 0.57 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.34 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 0.72 -2.84 0.58 0.00 0.23 -3.47 119.26 117.45 1ija h ALA 77 Ca 0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 54.91 53.64 1ija h ALA 77 Cb 0.13 0.39 0.04 0.00 0.00 0.00 0.00 17.79 18.35 1ija h ALA 77 CO 0.00 1.32 -0.03 0.00 0.00 0.00 0.00 179.25 180.54 1ija n ALA 78 N -2.49 -0.88 -3.63 0.00 0.00 -0.95 -4.95 120.51 107.62 1ija n ALA 78 Ca -0.14 -0.26 0.01 0.00 0.00 0.00 0.00 53.44 53.06 1ija n ALA 78 Cb 0.97 -0.02 0.02 0.00 0.00 0.00 0.00 19.45 20.42 1ija n ALA 78 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ija n LYS 79 N -1.77 0.79 -1.10 0.00 2.85 -1.26 -5.06 118.16 112.60 1ija n LYS 79 Ca 0.02 -1.58 -0.35 0.00 -1.05 0.00 0.00 58.31 55.35 1ija n LYS 79 Cb 0.10 2.00 0.08 0.00 -0.65 0.00 0.00 35.03 36.56 1ija n LYS 79 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1ija n LYS 80 N -0.45 0.09 0.00 -1.58 5.02 -1.26 -0.82 118.16 119.15 1ija n LYS 80 Ca -0.06 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1ija n LYS 80 Cb 0.46 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 1.84 2.66 3.55 0.72 0.00 -0.06 -4.91 105.19 108.99 1ija n GLY 81 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1ija n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ija s SER 82 N -1.32 4.71 1.41 1.61 0.01 -0.00 -4.57 113.70 115.55 1ija s SER 82 Ca 0.00 0.68 -0.22 0.00 1.31 0.00 0.00 55.95 57.72 1ija s SER 82 Cb 0.00 -2.52 0.35 0.00 0.21 0.00 0.00 66.02 64.06 1ija s SER 82 CO 0.00 -2.78 0.87 0.23 0.41 0.00 0.00 173.24 171.98 1ija n MET 83 N 9.06 -4.38 -3.39 12.44 0.00 -1.26 -3.05 117.12 126.53 1ija n MET 83 Ca 0.32 -1.44 -0.12 0.00 0.00 0.00 0.00 57.70 56.45 1ija n MET 83 Cb 0.53 -1.74 -0.09 0.00 0.00 0.00 0.00 33.22 31.91 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 -2.23 -0.51 -0.58 2.03 1.01 -1.02 -4.80 120.40 114.30 1ija s VAL 84 Ca 0.64 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.27 1ija s VAL 84 Cb -0.10 -0.81 0.07 0.00 0.00 0.00 0.00 36.38 35.54 1ija s VAL 84 CO 0.53 -0.19 0.80 -0.31 0.00 0.00 0.00 175.10 175.93 1ija s TYR 85 N 2.47 2.88 -0.39 5.22 2.02 -0.99 -3.00 117.35 125.55 1ija s TYR 85 Ca 0.11 -0.57 -0.17 0.00 -0.37 0.00 0.00 57.07 56.06 1ija s TYR 85 Cb -0.15 -3.99 0.01 0.00 -0.40 0.00 0.00 41.96 37.43 1ija s TYR 85 CO -0.18 -1.35 0.46 0.12 -1.57 0.00 0.00 175.55 173.04 1ija s PHE 86 N 3.31 3.17 -0.11 2.71 5.36 -1.10 -2.25 117.98 129.06 1ija s PHE 86 Ca 0.19 -0.16 -0.13 0.00 -0.96 0.00 0.00 56.93 55.86 1ija s PHE 86 Cb -0.19 -2.91 -0.05 0.00 -0.34 0.00 0.00 43.02 39.53 1ija s PHE 86 CO 0.11 -0.64 0.30 0.21 -1.46 0.00 0.00 175.22 173.75 1ija s LYS 87 N 2.24 4.04 -0.19 10.12 2.20 -0.21 -0.78 119.74 137.17 1ija s LYS 87 Ca 0.14 0.15 -0.13 0.00 -0.36 0.00 0.00 55.97 55.77 1ija s LYS 87 Cb -0.16 -3.34 0.06 0.00 -1.51 0.00 0.00 37.83 32.88 1ija s LYS 87 CO 0.14 0.44 0.47 0.14 -0.36 0.00 0.00 175.35 176.18 1ija s VAL 88 N -0.16 -0.01 0.00 4.02 -7.23 -0.94 -1.33 120.40 114.74 1ija s VAL 88 Ca 0.18 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 1ija s VAL 88 Cb -0.14 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.12 1ija s VAL 88 CO 0.07 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 1ija n GLY 89 N 3.59 2.33 2.54 2.32 0.00 -1.26 -1.79 105.19 112.91 1ija n GLY 89 Ca -0.18 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 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 0.07 7.42 -3.64 1.61 5.15 -1.26 -4.91 115.26 119.70 1ija n ASN 90 Ca 0.00 -3.80 -0.10 0.00 -0.60 0.00 0.00 54.58 50.07 1ija n ASN 90 Cb 0.00 -0.97 -0.07 0.00 -0.53 0.00 0.00 39.78 38.22 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 -3.90 0.70 -0.03 1.20 -1.05 -0.74 -5.16 118.70 109.72 1ija s GLU 91 Ca 0.59 0.96 0.06 0.00 -0.15 0.00 0.00 54.97 56.43 1ija s GLU 91 Cb 0.48 0.28 -0.02 0.00 -0.44 0.00 0.00 34.13 34.42 1ija s GLU 91 CO -0.16 -0.10 -0.21 -0.08 0.95 0.00 0.00 175.26 175.66 1ija s THR 92 N 0.78 2.53 0.52 1.83 -1.32 -1.26 -2.23 115.64 116.49 1ija s THR 92 Ca -0.03 -0.96 0.01 0.00 -1.21 0.00 0.00 61.69 59.50 1ija s THR 92 Cb -0.05 -1.95 0.02 0.00 -1.51 0.00 0.00 72.50 69.02 1ija s THR 92 CO -0.07 0.56 0.74 -0.13 -2.21 0.00 0.00 174.62 173.51 1ija s ARG 93 N -0.74 2.70 -0.13 7.08 1.81 0.04 -4.91 118.95 124.80 1ija s ARG 93 Ca 0.11 -0.69 -0.04 0.00 -1.72 0.00 0.00 55.73 53.38 1ija s ARG 93 Cb -0.10 -2.51 0.06 0.00 -0.45 0.00 0.00 34.95 31.95 1ija s ARG 93 CO 0.00 -0.58 0.23 -1.59 -0.68 0.00 0.00 175.30 172.68 1ija s LYS 94 N -4.70 0.12 0.39 3.54 -2.85 -1.26 -2.73 119.74 112.25 1ija s LYS 94 Ca 0.55 0.64 0.08 0.00 -1.00 0.00 0.00 55.97 56.24 1ija s LYS 94 Cb -0.10 -0.22 -0.06 0.00 -2.06 0.00 0.00 37.83 35.39 1ija s LYS 94 CO 0.38 -0.33 0.08 0.71 0.10 0.00 0.00 175.35 176.29 1ija s TYR 95 N 2.38 2.56 -0.22 1.78 1.51 -1.16 -4.48 117.35 119.72 1ija s TYR 95 Ca 0.02 -0.57 -0.01 0.00 -1.01 0.00 0.00 57.07 55.51 1ija s TYR 95 Cb -0.12 -1.77 0.06 0.00 -0.11 0.00 0.00 41.96 40.02 1ija s TYR 95 CO -0.08 0.35 0.00 0.15 -1.11 0.00 0.00 175.55 174.86 1ija s LYS 96 N -3.79 1.09 0.21 -0.62 -0.14 -0.96 -2.44 119.74 113.10 1ija s LYS 96 Ca 0.37 -0.75 -0.32 0.00 -1.36 0.00 0.00 55.97 53.92 1ija s LYS 96 Cb 0.05 -2.33 -0.15 0.00 -1.68 0.00 0.00 37.83 33.72 1ija s LYS 96 CO 0.20 -0.66 1.24 -0.12 -0.76 0.00 0.00 175.35 175.25 1ija n MET 97 N 4.85 1.50 -0.33 1.68 0.00 -1.17 -3.11 117.12 120.54 1ija n MET 97 Ca -0.09 0.53 0.00 0.00 -0.00 0.00 0.00 57.70 58.14 1ija n MET 97 Cb 0.45 -2.08 0.00 0.00 0.00 0.00 0.00 33.22 31.59 1ija n MET 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1ija n THR 98 N 1.52 0.00 -3.09 1.12 -1.04 -1.05 -0.88 114.28 110.86 1ija n THR 98 Ca 0.13 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.16 1ija n THR 98 Cb 0.28 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1ija n THR 98 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ija s SER 99 N 0.00 -1.18 0.33 8.00 0.15 -1.14 -5.03 113.70 114.82 1ija s SER 99 Ca 0.00 -0.42 0.04 0.00 0.70 0.00 0.00 55.95 56.27 1ija s SER 99 Cb 0.00 1.56 -0.02 0.00 -1.71 0.00 0.00 66.02 65.85 1ija s SER 99 CO 0.00 -0.15 0.48 -0.63 1.20 0.00 0.00 173.24 174.14 1ija s ILE 100 N 2.12 4.66 0.00 6.45 1.09 -1.26 -1.56 121.20 132.70 1ija s ILE 100 Ca 0.16 -0.80 0.00 0.00 -1.10 0.00 0.00 60.65 58.91 1ija s ILE 100 Cb -0.03 -3.66 0.00 0.00 -1.06 0.00 0.00 42.46 37.71 1ija s ILE 100 CO -0.13 -0.33 0.00 0.54 -0.10 0.00 0.00 174.94 174.92 1ija n ARG 101 N -1.67 0.00 -0.82 2.79 1.74 -1.18 -4.94 116.66 112.57 1ija n ARG 101 Ca -0.04 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.01 1ija n ARG 101 Cb 0.57 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.00 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 -0.39 -1.20 0.00 0.55 5.68 -1.20 -4.71 116.55 115.28 1ija n ASP 102 Ca 0.00 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1ija n ASP 102 Cb 0.00 -1.33 0.00 0.00 -1.14 0.00 0.00 41.12 38.65 1ija n ASP 102 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1ija n VAL 103 N -1.00 0.00 0.00 2.12 0.31 -1.26 -4.87 118.33 113.62 1ija n VAL 103 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1ija n VAL 103 Cb 0.13 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 1ija n VAL 103 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ija n LYS 104 N -0.98 0.00 -0.69 5.55 4.81 -1.26 -4.90 118.16 120.69 1ija n LYS 104 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 1ija n LYS 104 Cb 0.00 -0.62 -0.06 0.00 0.02 0.00 0.00 35.03 34.37 1ija n LYS 104 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ija n PRO 105 N -2.22 0.88 -2.91 1.64 -0.02 -1.26 -4.83 135.00 126.27 1ija n PRO 105 Ca 0.00 -1.30 -0.44 0.00 -2.02 0.00 0.00 63.50 59.74 1ija n PRO 105 Cb 0.26 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.15 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 5.38 4.71 0.00 3.45 -4.23 -1.26 -4.37 115.64 119.32 1ija s THR 106 Ca 0.49 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1ija s THR 106 Cb 0.12 -4.79 0.00 0.00 1.34 0.00 0.00 72.50 69.16 1ija s THR 106 CO 0.15 -1.53 0.00 0.47 -0.54 0.00 0.00 174.62 173.17 1ija n ASP 107 N 6.60 0.00 0.00 3.99 9.92 -1.26 -4.71 116.55 131.09 1ija n ASP 107 Ca 0.25 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.56 1ija n ASP 107 Cb 0.49 -2.01 0.29 0.00 -0.64 0.00 0.00 41.12 39.25 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 -2.00 0.00 0.00 2.53 0.24 -1.26 -3.80 118.33 114.03 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 -0.70 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 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 -0.20 0.00 0.24 7.63 0.00 -1.26 -4.99 105.19 106.61 1ija n GLY 109 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 1.29 -2.08 1.61 2.07 -1.86 -3.20 116.25 114.08 1ija h VAL 110 Ca 0.00 -1.60 -0.79 0.00 0.82 0.00 0.00 66.70 65.13 1ija h VAL 110 Cb 0.00 1.51 -0.25 0.00 -1.52 0.00 0.00 31.29 31.03 1ija h VAL 110 CO 0.00 0.51 1.17 0.18 0.02 0.00 0.00 177.57 179.45 1ija n LEU 111 N -4.03 7.44 -0.26 2.57 4.77 -1.26 -4.19 117.00 122.04 1ija n LEU 111 Ca -0.02 -5.24 -0.00 0.00 -0.03 0.00 0.00 56.01 50.71 1ija n LEU 111 Cb 0.54 -1.18 -0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1ija n LEU 111 CO 0.47 2.01 0.06 -0.67 -1.33 0.00 0.00 177.39 177.92 1ija n ASP 112 N 0.07 -0.06 -0.22 -1.43 2.03 -1.21 -4.97 116.55 110.76 1ija n ASP 112 Ca 0.50 -0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1ija n ASP 112 Cb 0.26 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 1ija n ASP 112 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1ija n GLU 113 N 0.00 0.00 -0.21 -0.67 0.28 -1.25 -4.85 120.64 113.94 1ija n GLU 113 Ca -0.02 -0.12 0.11 0.00 -0.16 0.00 0.00 57.16 56.97 1ija n GLU 113 Cb 0.18 -0.08 0.22 0.00 1.43 0.00 0.00 31.44 33.19 1ija n GLU 113 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ija n GLN 114 N 0.00 2.49 -0.00 3.44 6.02 -1.26 -4.44 117.38 123.62 1ija n GLN 114 Ca 0.00 -2.29 0.00 0.00 -0.01 0.00 0.00 57.00 54.70 1ija n GLN 114 Cb 0.51 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1ija n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ija n LYS 115 N 1.42 0.79 0.00 -1.09 4.76 -1.26 -2.95 118.16 119.83 1ija n LYS 115 Ca 0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 1ija n LYS 115 Cb 0.58 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.67 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 0.61 0.52 0.00 0.72 0.00 -1.26 -5.11 105.19 100.67 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 0.28 0.00 0.00 0.00 173.32 173.60 1ija n LYS 117 N 0.00 3.58 -4.32 1.61 5.02 -1.15 -5.12 118.16 117.77 1ija n LYS 117 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 1ija n LYS 117 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 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 4.21 0.04 4.39 1.01 -1.26 -5.05 116.67 119.01 1ija s ASP 118 Ca 0.00 -1.15 -0.38 0.00 0.71 0.00 0.00 52.55 51.73 1ija s ASP 118 Cb 0.00 -0.47 -0.19 0.00 1.01 0.00 0.00 42.92 43.28 1ija s ASP 118 CO 0.00 -0.45 1.17 0.29 0.21 0.00 0.00 175.17 176.39 1ija n LYS 119 N -1.10 0.47 -4.12 8.23 4.01 -1.26 -4.70 118.16 119.70 1ija n LYS 119 Ca -0.03 0.17 -0.12 0.00 -0.51 0.00 0.00 58.31 57.82 1ija n LYS 119 Cb 0.65 -1.72 -0.07 0.00 -0.51 0.00 0.00 35.03 33.38 1ija n LYS 119 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 1ija s GLN 120 N 0.16 1.52 0.22 1.97 0.00 -1.08 0.47 119.66 122.92 1ija s GLN 120 Ca 0.87 -1.57 0.11 0.00 -0.00 0.00 0.00 55.36 54.78 1ija s GLN 120 Cb -1.13 0.38 -0.05 0.00 0.00 0.00 0.00 33.01 32.21 1ija s GLN 120 CO 0.53 -0.59 -0.19 -1.17 0.00 0.00 0.00 175.29 173.88 1ija s LEU 121 N -3.15 2.63 -0.41 2.60 2.96 0.25 -2.53 118.68 121.02 1ija s LEU 121 Ca 0.32 -0.85 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1ija s LEU 121 Cb 0.02 -1.27 0.14 0.00 0.50 0.00 0.00 46.19 45.58 1ija s LEU 121 CO 0.14 0.09 0.25 -0.89 -1.32 0.00 0.00 176.35 174.62 1ija s THR 122 N -1.97 0.81 0.44 3.68 2.01 0.56 -2.91 115.64 118.26 1ija s THR 122 Ca 0.25 -2.28 -0.24 0.00 0.31 0.00 0.00 61.69 59.73 1ija s THR 122 Cb -0.07 -1.57 -0.08 0.00 0.01 0.00 0.00 72.50 70.79 1ija s THR 122 CO 0.13 -0.98 1.18 -0.76 -0.69 0.00 0.00 174.62 173.50 1ija s LEU 123 N 0.55 4.07 -0.01 4.42 1.43 -1.02 -2.59 118.68 125.53 1ija s LEU 123 Ca 0.20 2.35 0.01 0.00 -1.03 0.00 0.00 54.13 55.65 1ija s LEU 123 Cb -0.20 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 41.86 1ija s LEU 123 CO -0.02 -0.86 -0.01 -0.63 0.23 0.00 0.00 176.35 175.05 1ija s ILE 124 N -1.49 0.14 0.19 -0.59 1.01 -0.34 -2.78 121.20 117.34 1ija s ILE 124 Ca 0.62 -0.04 0.04 0.00 0.00 0.00 0.00 60.65 61.27 1ija s ILE 124 Cb -0.30 -0.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 1ija s ILE 124 CO 0.37 0.06 0.25 0.42 0.00 0.00 0.00 174.94 176.04 1ija s THR 125 N 0.14 4.98 -0.07 2.92 -4.23 -1.14 -2.66 115.64 115.59 1ija s THR 125 Ca -0.01 -0.96 -0.06 0.00 -1.18 0.00 0.00 61.69 59.49 1ija s THR 125 Cb -0.03 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.22 1ija s THR 125 CO -0.00 -0.19 0.17 0.00 -0.54 0.00 0.00 174.62 174.06 1ija n ASP 127 N 3.23 0.00 -3.29 0.00 2.03 -1.26 -3.28 116.55 113.98 1ija n ASP 127 Ca -0.15 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.00 1ija n ASP 127 Cb 0.58 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 41.05 1ija n ASP 127 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ija n ASP 128 N 0.00 -3.96 -4.67 1.67 -0.08 -1.26 -4.27 116.55 103.98 1ija n ASP 128 Ca 0.00 -0.64 -0.42 0.00 -1.51 0.00 0.00 54.79 52.22 1ija n ASP 128 Cb 0.00 -5.03 -0.03 0.00 2.34 0.00 0.00 41.12 38.40 1ija n ASP 128 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1ija s TYR 129 N -3.36 1.62 -0.21 -0.67 6.14 -1.26 -3.03 117.35 116.57 1ija s TYR 129 Ca 0.19 -0.23 -0.23 0.00 0.64 0.00 0.00 57.07 57.44 1ija s TYR 129 Cb -0.03 -4.16 -0.01 0.00 0.42 0.00 0.00 41.96 38.18 1ija s TYR 129 CO 0.71 -5.06 0.76 1.21 0.64 0.00 0.00 175.55 173.81 1ija s ASN 130 N 3.82 6.81 0.00 4.32 2.47 -0.82 -4.82 114.94 126.72 1ija s ASN 130 Ca 0.84 1.00 0.15 0.00 0.42 0.00 0.00 52.86 55.26 1ija s ASN 130 Cb -0.42 -2.41 0.58 0.00 -1.45 0.00 0.00 41.25 37.56 1ija s ASN 130 CO 0.38 -0.41 1.42 -1.84 -3.72 0.00 0.00 177.10 172.93 1ija n GLU 131 N 5.52 1.57 -0.07 0.43 0.00 -1.26 -2.22 120.64 124.61 1ija n GLU 131 Ca 0.03 -0.86 -0.13 0.00 0.00 0.00 0.00 57.16 56.19 1ija n GLU 131 Cb 0.49 -1.30 -0.12 0.00 0.00 0.00 0.00 31.44 30.51 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 1.59 0.00 0.00 3.44 1.57 -1.93 -3.36 116.57 117.88 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 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1ija h LYS 132 CO 0.00 0.92 -1.27 0.25 -0.57 0.00 0.00 179.45 178.78 1ija n THR 133 N -4.62 0.06 -2.52 -0.16 -2.24 -1.25 -4.98 114.28 98.57 1ija n THR 133 Ca -0.10 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.43 1ija n THR 133 Cb 0.45 0.43 0.01 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.39 0.71 3.29 3.38 0.00 -0.94 -5.06 105.19 107.95 1ija n GLY 134 Ca 0.01 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.03 0.09 -0.21 1.61 1.01 -1.09 -5.03 120.40 113.75 1ija s VAL 135 Ca 0.05 -1.33 -0.29 0.00 0.00 0.00 0.00 61.98 60.41 1ija s VAL 135 Cb -0.02 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1ija s VAL 135 CO 0.08 -0.42 1.69 0.26 0.00 0.00 0.00 175.10 176.71 1ija s TRP 136 N -3.93 1.96 0.00 5.22 0.52 -1.26 -1.94 118.94 119.51 1ija s TRP 136 Ca 0.13 0.48 0.00 0.00 0.02 0.00 0.00 56.10 56.73 1ija s TRP 136 Cb 0.04 -4.00 0.00 0.00 -1.15 0.00 0.00 33.47 28.36 1ija s TRP 136 CO -0.04 -3.21 0.37 -1.91 0.02 0.00 0.00 176.95 172.18 1ija n GLU 137 N 7.76 0.00 -3.51 4.98 4.07 -1.17 -4.46 120.64 128.32 1ija n GLU 137 Ca 0.20 0.37 -0.29 0.00 -0.06 0.00 0.00 57.16 57.38 1ija n GLU 137 Cb 0.45 -0.80 -0.04 0.00 -0.06 0.00 0.00 31.44 30.99 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 -0.86 3.62 -0.35 5.31 -2.85 -1.26 -5.01 119.74 118.34 1ija s LYS 138 Ca 0.00 -0.07 0.06 0.00 -1.00 0.00 0.00 55.97 54.95 1ija s LYS 138 Cb 0.00 -2.74 0.18 0.00 -2.06 0.00 0.00 37.83 33.21 1ija s LYS 138 CO 0.00 0.32 0.54 0.50 0.10 0.00 0.00 175.35 176.81 1ija s ARG 139 N -3.23 0.65 0.48 1.78 3.52 -1.26 -4.57 118.95 116.31 1ija s ARG 139 Ca 0.42 -0.09 -0.06 0.00 -0.13 0.00 0.00 55.73 55.88 1ija s ARG 139 Cb -0.11 -0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.16 1ija s ARG 139 CO 0.28 -1.13 0.80 0.15 -0.81 0.00 0.00 175.30 174.59 1ija s LYS 140 N 2.16 3.57 0.08 5.12 1.02 -1.26 -4.88 119.74 125.55 1ija s LYS 140 Ca 0.13 0.26 -0.07 0.00 0.02 0.00 0.00 55.97 56.31 1ija s LYS 140 Cb -0.09 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1ija s LYS 140 CO -0.16 -0.21 0.15 0.96 -0.92 0.00 0.00 175.35 175.18 1ija s ILE 141 N -2.72 0.15 0.18 2.17 -4.36 -1.26 -2.87 121.20 112.49 1ija s ILE 141 Ca 0.48 -1.26 -0.01 0.00 -0.26 0.00 0.00 60.65 59.61 1ija s ILE 141 Cb -0.10 -1.33 -0.04 0.00 1.25 0.00 0.00 42.46 42.24 1ija s ILE 141 CO 0.44 -0.69 0.10 -0.36 0.24 0.00 0.00 174.94 174.67 1ija s PHE 142 N -3.76 1.06 -0.05 1.37 0.40 -1.12 -3.12 117.98 112.76 1ija s PHE 142 Ca 0.04 -1.33 -0.07 0.00 -0.60 0.00 0.00 56.93 54.98 1ija s PHE 142 Cb 0.05 -0.54 0.01 0.00 0.51 0.00 0.00 43.02 43.06 1ija s PHE 142 CO -0.10 -0.60 0.18 0.08 0.70 0.00 0.00 175.22 175.48 1ija s VAL 143 N -4.12 0.02 0.01 -0.44 1.01 -0.60 -2.42 120.40 113.87 1ija s VAL 143 Ca 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 1ija s VAL 143 Cb 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1ija s VAL 143 CO 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 175.10 175.07 1ija s ALA 144 N -0.31 0.08 -0.07 5.51 0.00 -1.15 -2.52 121.76 123.30 1ija s ALA 144 Ca -0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 51.47 1ija s ALA 144 Cb -0.03 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1ija s ALA 144 CO 0.01 -0.13 -0.03 -0.08 0.00 0.00 0.00 175.76 175.53 1ija s THR 145 N -1.14 4.02 0.00 0.00 -1.32 -1.18 -0.59 115.64 115.43 1ija s THR 145 Ca -0.13 -0.38 -0.01 0.00 -1.21 0.00 0.00 61.69 59.96 1ija s THR 145 Cb -0.08 -2.68 -0.04 0.00 -1.51 0.00 0.00 72.50 68.20 1ija s THR 145 CO -0.01 0.59 1.00 1.21 -2.21 0.00 0.00 174.62 175.19 1ija n GLU 146 N 2.12 0.43 -4.12 7.08 4.07 0.18 -2.26 120.64 128.14 1ija n GLU 146 Ca -0.18 -0.15 -0.15 0.00 -0.06 0.00 0.00 57.16 56.62 1ija n GLU 146 Cb 0.53 -1.50 -0.05 0.00 -0.06 0.00 0.00 31.44 30.36 1ija n GLU 146 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1ija s VAL 147 N 1.94 0.00 0.00 6.31 1.01 -1.26 -4.93 120.40 123.47 1ija s VAL 147 Ca 0.10 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.41 1ija s VAL 147 Cb 0.05 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1ija s VAL 147 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 175.10 175.39