#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 4.32 -1.10 3.17 1.11 -1.26 -4.92 119.66 120.98 1ija s GLN 2 Ca 0.00 1.83 -0.22 0.00 0.01 0.00 0.00 55.36 56.99 1ija s GLN 2 Cb 0.00 -2.90 0.04 0.00 -1.01 0.00 0.00 33.01 29.15 1ija s GLN 2 CO 0.00 -0.08 1.59 0.00 0.01 0.00 0.00 175.29 176.81 1ija s ALA 3 N -1.32 2.78 -0.42 6.09 0.00 -1.26 -4.68 121.76 122.95 1ija s ALA 3 Ca 0.51 -2.40 0.08 0.00 0.00 0.00 0.00 51.96 50.16 1ija s ALA 3 Cb -0.31 -4.57 0.33 0.00 0.00 0.00 0.00 23.12 18.57 1ija s ALA 3 CO 0.40 -3.67 0.96 1.63 0.00 0.00 0.00 175.76 175.08 1ija n LYS 4 N 8.72 1.00 -0.52 0.00 5.02 -1.26 -5.03 118.16 126.08 1ija n LYS 4 Ca 0.39 -2.52 -0.11 0.00 -2.02 0.00 0.00 58.31 54.05 1ija n LYS 4 Cb 0.49 -1.30 0.09 0.00 -0.02 0.00 0.00 35.03 34.29 1ija n LYS 4 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1ija n PRO 5 N 0.32 -1.26 -3.18 1.97 -0.04 -1.26 -4.96 135.00 126.59 1ija n PRO 5 Ca 0.14 -0.70 -0.45 0.00 -0.04 0.00 0.00 63.50 62.45 1ija n PRO 5 Cb 0.69 -0.57 -0.00 0.00 -0.04 0.00 0.00 33.50 33.57 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 -3.99 4.09 -0.19 0.54 1.11 -1.26 -5.01 119.66 114.95 1ija s GLN 6 Ca 0.27 -2.87 -0.25 0.00 0.01 0.00 0.00 55.36 52.52 1ija s GLN 6 Cb -0.02 -4.74 -0.01 0.00 -1.01 0.00 0.00 33.01 27.23 1ija s GLN 6 CO 0.20 -1.46 0.85 0.42 0.01 0.00 0.00 175.29 175.31 1ija s ILE 7 N 0.03 4.86 0.90 1.08 1.01 -1.26 -5.04 121.20 122.77 1ija s ILE 7 Ca 0.34 1.64 -0.12 0.00 0.00 0.00 0.00 60.65 62.51 1ija s ILE 7 Cb -0.07 -4.14 0.13 0.00 0.01 0.00 0.00 42.46 38.38 1ija s ILE 7 CO -0.05 -0.01 1.11 -2.16 0.00 0.00 0.00 174.94 173.82 1ija s PRO 8 N 2.39 1.26 -0.01 2.79 0.04 -1.26 -4.98 135.00 135.23 1ija s PRO 8 Ca 0.38 0.56 0.19 0.00 0.04 0.00 0.00 61.00 62.17 1ija s PRO 8 Cb -0.16 -1.83 -0.23 0.00 0.04 0.00 0.00 34.50 32.32 1ija s PRO 8 CO 0.11 -2.17 0.70 1.63 0.04 0.00 0.00 177.00 177.30 1ija n LYS 9 N -3.80 0.69 -2.42 4.56 5.02 -1.26 -4.75 118.16 116.21 1ija n LYS 9 Ca 0.06 -0.05 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1ija n LYS 9 Cb 0.57 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 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 -3.20 6.04 0.00 4.39 1.01 -1.26 -4.81 116.67 118.85 1ija s ASP 10 Ca 0.03 -0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.27 1ija s ASP 10 Cb 0.14 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.52 1ija s ASP 10 CO 0.79 -1.84 0.65 0.29 0.21 0.00 0.00 175.17 175.26 1ija n LYS 11 N 9.01 0.00 -2.09 8.23 5.02 -1.26 -1.48 118.16 135.58 1ija n LYS 11 Ca 0.09 0.17 -0.28 0.00 -2.02 0.00 0.00 58.31 56.28 1ija n LYS 11 Cb 0.50 -1.52 0.02 0.00 -0.02 0.00 0.00 35.03 34.01 1ija n LYS 11 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ija n SER 12 N -1.15 5.45 -3.79 4.39 2.88 -1.26 -4.68 113.62 115.46 1ija n SER 12 Ca 0.00 -3.75 -0.14 0.00 -1.33 0.00 0.00 58.87 53.65 1ija n SER 12 Cb 0.02 -0.53 -0.15 0.00 -0.75 0.00 0.00 64.21 62.79 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 -3.65 0.02 -0.30 -1.46 2.20 -0.55 -5.09 119.74 110.90 1ija s LYS 13 Ca 0.52 0.18 -0.28 0.00 -0.36 0.00 0.00 55.97 56.03 1ija s LYS 13 Cb 0.42 -0.15 -0.06 0.00 -1.51 0.00 0.00 37.83 36.54 1ija s LYS 13 CO -0.10 -0.12 2.28 0.28 -0.36 0.00 0.00 175.35 177.34 1ija n VAL 14 N 3.82 0.22 0.05 4.02 0.31 -1.26 -4.45 118.33 121.05 1ija n VAL 14 Ca -0.22 -0.55 0.10 0.00 -0.01 0.00 0.00 64.34 63.65 1ija n VAL 14 Cb 0.54 -2.61 -0.08 0.00 -0.91 0.00 0.00 33.84 30.78 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 12.81 2.56 -3.32 3.52 0.00 -1.15 -5.00 120.51 129.92 1ija n ALA 15 Ca 0.32 -0.40 0.03 0.00 0.00 0.00 0.00 53.44 53.39 1ija n ALA 15 Cb 0.47 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.99 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 1.24 1.12 3.25 0.00 0.00 -1.23 -4.58 105.19 105.00 1ija n GLY 16 Ca -0.03 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 1ija n GLY 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ija s TYR 17 N -4.85 -0.65 -0.02 1.61 6.14 -1.16 -2.81 117.35 115.61 1ija s TYR 17 Ca 0.08 1.33 -0.05 0.00 0.64 0.00 0.00 57.07 59.08 1ija s TYR 17 Cb -0.01 0.26 -0.04 0.00 0.42 0.00 0.00 41.96 42.59 1ija s TYR 17 CO 0.02 -0.38 0.20 -1.50 0.64 0.00 0.00 175.55 174.53 1ija s ILE 18 N 1.80 5.41 -0.15 3.14 2.07 -0.73 -0.14 121.20 132.60 1ija s ILE 18 Ca -0.07 0.01 -0.09 0.00 -1.41 0.00 0.00 60.65 59.09 1ija s ILE 18 Cb -0.10 -3.52 0.05 0.00 0.13 0.00 0.00 42.46 39.02 1ija s ILE 18 CO -0.13 0.39 0.37 -0.70 -1.91 0.00 0.00 174.94 172.96 1ija s GLU 19 N -1.73 0.36 -0.08 3.50 2.12 -1.01 -2.61 118.70 119.25 1ija s GLU 19 Ca 0.25 0.69 -0.04 0.00 0.36 0.00 0.00 54.97 56.24 1ija s GLU 19 Cb -0.13 -0.00 0.05 0.00 0.26 0.00 0.00 34.13 34.30 1ija s GLU 19 CO 0.15 -0.14 0.18 0.42 -0.54 0.00 0.00 175.26 175.33 1ija s ILE 20 N 1.17 -0.15 0.04 -3.70 1.01 -0.94 -2.26 121.20 116.37 1ija s ILE 20 Ca -0.08 0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.65 1ija s ILE 20 Cb -0.08 -0.30 -0.24 0.00 0.01 0.00 0.00 42.46 41.85 1ija s ILE 20 CO -0.10 0.10 1.14 1.55 0.00 0.00 0.00 174.94 177.64 1ija h PRO 21 N 7.69 0.58 0.00 2.79 0.13 -1.87 0.74 132.00 142.06 1ija h PRO 21 Ca -0.31 -0.63 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 1ija h PRO 21 Cb 1.13 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ija h PRO 21 CO 0.30 1.24 0.37 0.22 -0.23 0.00 0.00 178.00 179.90 1ija h ASP 22 N 0.18 0.00 0.00 1.44 3.58 -1.97 0.20 116.42 119.85 1ija h ASP 22 Ca -0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1ija h ASP 22 Cb 1.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.61 1ija h ASP 22 CO 0.17 0.00 -0.23 0.00 -2.88 0.00 0.00 179.24 176.30 1ija n ALA 23 N -1.61 1.72 -4.26 -0.78 0.00 -1.17 -4.26 120.51 110.15 1ija n ALA 23 Ca -0.01 -1.05 -0.31 0.00 0.00 0.00 0.00 53.44 52.07 1ija n ALA 23 Cb 0.39 -0.28 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.23 0.39 -4.84 0.00 5.68 0.71 -4.56 116.55 113.70 1ija n ASP 24 Ca 0.02 -1.22 -0.37 0.00 -0.50 0.00 0.00 54.79 52.73 1ija n ASP 24 Cb 0.59 -1.90 -0.06 0.00 -1.14 0.00 0.00 41.12 38.61 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 -4.19 4.92 -0.39 2.12 -1.09 0.23 -4.91 121.20 117.89 1ija s ILE 25 Ca 0.08 0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 59.34 1ija s ILE 25 Cb -0.05 -3.75 0.19 0.00 -1.58 0.00 0.00 42.46 37.28 1ija s ILE 25 CO 0.98 0.42 0.91 -1.59 -1.23 0.00 0.00 174.94 174.42 1ija s LYS 26 N -1.50 0.52 0.06 2.79 -2.85 -1.25 -2.22 119.74 115.28 1ija s LYS 26 Ca 0.31 -0.36 -0.07 0.00 -1.00 0.00 0.00 55.97 54.84 1ija s LYS 26 Cb -0.16 0.01 -0.01 0.00 -2.06 0.00 0.00 37.83 35.61 1ija s LYS 26 CO 0.17 -0.69 0.15 -1.21 0.10 0.00 0.00 175.35 173.88 1ija s GLU 27 N 1.42 0.72 0.66 1.78 0.41 -1.07 -5.01 118.70 117.60 1ija s GLU 27 Ca 0.21 -0.83 -0.09 0.00 -0.41 0.00 0.00 54.97 53.85 1ija s GLU 27 Cb 0.04 0.29 0.02 0.00 -1.78 0.00 0.00 34.13 32.69 1ija s GLU 27 CO -0.10 -0.20 1.00 -1.25 -0.49 0.00 0.00 175.26 174.22 1ija s PRO 28 N -3.17 2.80 -0.16 0.39 0.04 -1.26 -1.77 135.00 131.87 1ija s PRO 28 Ca -0.00 0.18 -0.02 0.00 0.04 0.00 0.00 61.00 61.19 1ija s PRO 28 Cb 0.02 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.46 1ija s PRO 28 CO -0.07 -0.91 0.02 0.14 0.04 0.00 0.00 177.00 176.21 1ija s VAL 29 N -3.19 0.53 0.47 -0.36 -7.23 -1.12 -3.53 120.40 105.98 1ija s VAL 29 Ca 0.56 -0.40 -0.08 0.00 -1.81 0.00 0.00 61.98 60.26 1ija s VAL 29 Cb -0.11 -0.93 -0.05 0.00 0.56 0.00 0.00 36.38 35.86 1ija s VAL 29 CO 0.48 -0.07 0.81 -0.31 -0.31 0.00 0.00 175.10 175.71 1ija s TYR 30 N 1.87 3.54 0.08 2.82 1.51 -0.78 -2.96 117.35 123.43 1ija s TYR 30 Ca 0.01 0.95 -0.29 0.00 -1.01 0.00 0.00 57.07 56.73 1ija s TYR 30 Cb -0.16 -2.40 -0.05 0.00 -0.11 0.00 0.00 41.96 39.24 1ija s TYR 30 CO -0.07 -0.28 0.92 -1.25 -1.11 0.00 0.00 175.55 173.76 1ija s PRO 31 N -4.51 4.63 0.00 -1.71 0.04 -1.26 -2.98 135.00 129.21 1ija s PRO 31 Ca 0.50 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1ija s PRO 31 Cb -0.10 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1ija s PRO 31 CO 0.42 0.19 0.00 0.41 0.04 0.00 0.00 177.00 178.05 1ija n GLY 32 N 2.38 0.79 3.65 0.56 0.00 -1.26 -4.40 105.19 106.92 1ija n GLY 32 Ca 0.02 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.68 4.14 -0.77 1.61 0.04 -1.26 -3.16 135.00 133.93 1ija s PRO 33 Ca 0.00 1.26 -0.09 0.00 0.04 0.00 0.00 61.00 62.21 1ija s PRO 33 Cb 0.00 -3.72 -0.25 0.00 0.04 0.00 0.00 34.50 30.58 1ija s PRO 33 CO 0.00 -0.80 1.93 0.00 0.04 0.00 0.00 177.00 178.17 1ija n ALA 34 N 6.70 0.90 -2.72 8.56 0.00 -0.89 -4.85 120.51 128.21 1ija n ALA 34 Ca 0.12 -0.95 -0.28 0.00 0.00 0.00 0.00 53.44 52.33 1ija n ALA 34 Cb 0.46 -2.10 -0.07 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 1.90 4.10 0.20 0.00 -4.23 -1.26 -5.00 115.64 111.35 1ija s THR 35 Ca 0.99 -1.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.26 1ija s THR 35 Cb -0.58 -3.03 0.14 0.00 1.34 0.00 0.00 72.50 70.37 1ija s THR 35 CO 0.39 -0.02 1.83 1.55 -0.54 0.00 0.00 174.62 177.83 1ija h PRO 36 N 2.90 1.00 0.00 3.99 0.13 -1.99 -1.61 132.00 136.42 1ija h PRO 36 Ca -0.47 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 64.54 1ija h PRO 36 Cb 1.19 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1ija h PRO 36 CO 0.61 0.73 -0.08 1.05 -0.23 0.00 0.00 178.00 180.07 1ija h GLU 37 N 1.00 0.00 0.00 0.86 4.11 -1.97 -2.53 114.58 116.04 1ija h GLU 37 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 1ija h GLU 37 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ija h GLU 37 CO -0.05 0.08 0.00 0.94 0.07 0.00 0.00 179.01 180.06 1ija n GLN 38 N -3.84 0.00 0.11 1.06 0.00 -0.79 -4.01 117.38 109.91 1ija n GLN 38 Ca -0.02 0.35 0.13 0.00 -0.00 0.00 0.00 57.00 57.46 1ija n GLN 38 Cb 0.18 -0.85 0.29 0.00 0.00 0.00 0.00 30.24 29.86 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 -2.37 1.69 3.38 -1.40 2.26 115.31 118.87 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 0.00 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 -0.04 0.78 0.09 0.00 0.00 178.44 179.27 1ija h ASN 40 N 0.00 0.00 0.75 -0.43 4.21 -1.58 0.41 115.58 118.94 1ija h ASN 40 Ca 0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.71 1ija h ASN 40 Cb 2.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.37 1ija h ASN 40 CO -0.00 0.04 -0.42 0.54 -1.29 0.00 0.00 177.43 176.30 1ija n ARG 41 N -3.55 0.10 0.00 0.81 1.74 0.76 -5.01 116.66 111.52 1ija n ARG 41 Ca -0.02 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1ija n ARG 41 Cb 0.14 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 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 -0.71 3.11 -0.13 0.00 0.14 -5.06 105.19 103.98 1ija n GLY 42 Ca 0.05 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 0.60 0.06 1.61 1.01 -1.23 -4.36 120.40 118.09 1ija s VAL 43 Ca 0.00 -1.48 -0.13 0.00 0.00 0.00 0.00 61.98 60.37 1ija s VAL 43 Cb 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1ija s VAL 43 CO 0.00 -0.62 0.28 -0.55 0.00 0.00 0.00 175.10 174.21 1ija s SER 44 N -2.27 -0.08 1.26 3.32 0.15 -1.18 -1.87 113.70 113.03 1ija s SER 44 Ca 0.00 -0.29 -0.18 0.00 0.70 0.00 0.00 55.95 56.18 1ija s SER 44 Cb -0.03 0.36 0.29 0.00 -1.71 0.00 0.00 66.02 64.93 1ija s SER 44 CO -0.02 -0.65 0.74 0.49 1.20 0.00 0.00 173.24 175.00 1ija n PHE 45 N 0.42 -2.25 1.39 3.44 3.72 -1.16 -1.99 117.46 121.03 1ija n PHE 45 Ca -0.18 -0.32 0.14 0.00 -0.05 0.00 0.00 57.45 57.04 1ija n PHE 45 Cb 0.60 -1.53 0.49 0.00 -0.94 0.00 0.00 39.48 38.11 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 -5.15 2.85 -3.39 4.37 0.00 0.55 -2.09 120.51 117.63 1ija n ALA 46 Ca 0.06 -0.38 -0.15 0.00 0.00 0.00 0.00 53.44 52.96 1ija n ALA 46 Cb 0.56 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.32 0.84 0.43 0.00 2.02 -1.25 -4.08 118.70 114.33 1ija s GLU 47 Ca 0.30 0.14 0.14 0.00 0.02 0.00 0.00 54.97 55.58 1ija s GLU 47 Cb 0.20 0.39 0.94 0.00 0.10 0.00 0.00 34.13 35.76 1ija s GLU 47 CO 0.45 -0.23 1.95 1.05 0.02 0.00 0.00 175.26 178.50 1ija h GLU 48 N 3.67 0.00 -0.01 1.61 4.11 -1.88 -2.69 114.58 119.39 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 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ija h GLU 48 CO 0.36 0.23 -0.16 0.27 0.07 0.00 0.00 179.01 179.78 1ija n ASN 49 N -4.25 0.95 -4.63 3.06 6.94 -1.26 -4.37 115.26 111.70 1ija n ASN 49 Ca -0.02 -0.94 -0.43 0.00 -0.02 0.00 0.00 54.58 53.17 1ija n ASN 49 Cb 0.28 0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 37.73 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 -2.38 3.63 0.00 -3.83 2.56 -1.01 -4.96 118.70 112.70 1ija s GLU 50 Ca 0.29 2.15 0.00 0.00 0.00 0.00 0.00 54.97 57.41 1ija s GLU 50 Cb 0.20 -4.23 0.00 0.00 2.00 0.00 0.00 34.13 32.10 1ija s GLU 50 CO 0.47 -1.53 0.00 0.43 -0.56 0.00 0.00 175.26 174.07 1ija n SER 51 N 9.54 0.00 -1.56 -1.70 7.64 -1.26 -4.93 113.62 121.35 1ija n SER 51 Ca 0.24 -0.47 0.08 0.00 1.01 0.00 0.00 58.87 59.73 1ija n SER 51 Cb 0.44 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 63.99 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 4.99 0.00 -3.43 4.32 -1.26 -4.22 117.00 117.40 1ija n LEU 52 Ca 0.00 -2.76 0.00 0.00 -0.02 0.00 0.00 56.01 53.23 1ija n LEU 52 Cb 0.00 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.19 1ija n LEU 52 CO 0.00 0.70 0.08 0.47 -1.22 0.00 0.00 177.39 177.43 1ija n ASP 53 N 0.57 0.00 -4.65 -1.43 8.00 -1.26 -5.07 116.55 112.70 1ija n ASP 53 Ca 0.25 -1.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.33 1ija n ASP 53 Cb 1.02 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.08 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 4.02 0.12 -2.24 -0.08 -1.26 -4.75 116.55 112.36 1ija n ASP 54 Ca 0.00 0.83 0.03 0.00 -1.51 0.00 0.00 54.79 54.14 1ija n ASP 54 Cb 0.36 -1.52 0.16 0.00 2.34 0.00 0.00 41.12 42.46 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 7.62 0.04 -3.70 -0.67 -0.00 -1.26 -3.15 117.38 116.27 1ija n GLN 55 Ca 0.21 0.43 -0.30 0.00 -0.00 0.00 0.00 57.00 57.35 1ija n GLN 55 Cb 0.40 -2.07 -0.14 0.00 -0.00 0.00 0.00 30.24 28.44 1ija n GLN 55 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1ija s ASN 56 N -2.86 3.74 0.03 2.61 3.04 -1.26 -2.83 114.94 117.40 1ija s ASN 56 Ca -0.01 -2.21 -0.06 0.00 0.04 0.00 0.00 52.86 50.63 1ija s ASN 56 Cb 0.02 -0.92 -0.05 0.00 -1.54 0.00 0.00 41.25 38.76 1ija s ASN 56 CO 0.05 -0.33 0.28 -0.63 -3.04 0.00 0.00 177.10 173.43 1ija s ILE 57 N 0.91 5.29 -0.20 -5.21 1.01 -1.10 -5.00 121.20 116.91 1ija s ILE 57 Ca 0.15 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.87 1ija s ILE 57 Cb -0.22 -3.58 0.08 0.00 0.01 0.00 0.00 42.46 38.76 1ija s ILE 57 CO -0.09 0.31 0.17 -0.94 0.00 0.00 0.00 174.94 174.39 1ija s SER 58 N -1.85 1.86 0.23 3.58 1.04 -1.26 -0.83 113.70 116.49 1ija s SER 58 Ca 0.30 -0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.35 1ija s SER 58 Cb -0.13 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 1ija s SER 58 CO 0.18 -0.34 0.24 -0.63 0.98 0.00 0.00 173.24 173.67 1ija s ILE 59 N 2.24 4.74 -0.10 -1.02 1.01 -1.06 0.21 121.20 127.21 1ija s ILE 59 Ca 0.05 -1.21 0.01 0.00 0.00 0.00 0.00 60.65 59.50 1ija s ILE 59 Cb -0.16 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.79 1ija s ILE 59 CO -0.12 -0.30 -0.12 0.00 0.00 0.00 0.00 174.94 174.39 1ija s ALA 60 N -2.03 1.49 0.04 9.38 0.00 -0.84 -0.72 121.76 129.07 1ija s ALA 60 Ca 0.33 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.72 1ija s ALA 60 Cb -0.09 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 1ija s ALA 60 CO 0.26 -0.17 -0.12 0.20 0.00 0.00 0.00 175.76 175.94 1ija s GLY 61 N 1.18 0.68 1.06 0.00 0.00 -0.39 -3.12 107.32 106.73 1ija s GLY 61 Ca -0.04 -0.75 -0.16 0.00 0.00 0.00 0.00 44.72 43.77 1ija s GLY 61 CO -0.03 -0.74 1.16 0.30 0.00 0.00 0.00 173.10 173.78 1ija s HIS 62 N -0.88 1.42 -0.36 1.90 3.76 -1.26 -1.25 115.29 118.62 1ija s HIS 62 Ca -0.01 0.61 0.05 0.00 -0.15 0.00 0.00 55.06 55.56 1ija s HIS 62 Cb -0.08 -3.55 0.17 0.00 1.11 0.00 0.00 32.58 30.23 1ija s HIS 62 CO 0.01 -3.13 0.50 -0.08 -0.85 0.00 0.00 174.74 171.19 1ija s THR 63 N -3.25 -0.72 -0.38 1.30 -1.32 -1.26 0.29 115.64 110.30 1ija s THR 63 Ca 0.69 -0.36 -0.22 0.00 -1.21 0.00 0.00 61.69 60.59 1ija s THR 63 Cb -0.11 -0.54 0.01 0.00 -1.51 0.00 0.00 72.50 70.35 1ija s THR 63 CO 0.55 -0.24 0.72 -0.36 -2.21 0.00 0.00 174.62 173.08 1ija s PHE 64 N 2.00 3.10 0.40 9.09 0.40 -1.26 -4.78 117.98 126.93 1ija s PHE 64 Ca 0.14 0.38 0.07 0.00 -0.60 0.00 0.00 56.93 56.92 1ija s PHE 64 Cb -0.10 -3.35 0.83 0.00 0.51 0.00 0.00 43.02 40.91 1ija s PHE 64 CO -0.13 -0.75 2.04 0.82 0.70 0.00 0.00 175.22 177.90 1ija h ILE 65 N 5.77 1.12 -0.15 0.64 2.04 -1.97 -0.21 117.51 124.74 1ija h ILE 65 Ca -0.25 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1ija h ILE 65 Cb 1.10 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1ija h ILE 65 CO 0.89 0.12 0.00 -0.67 0.00 0.00 0.00 178.15 178.49 1ija n ASP 66 N -4.45 1.91 -2.99 1.72 2.03 -1.26 -4.20 116.55 109.30 1ija n ASP 66 Ca 0.03 -2.18 -0.15 0.00 0.52 0.00 0.00 54.79 53.01 1ija n ASP 66 Cb 0.08 -0.45 -0.02 0.00 -0.72 0.00 0.00 41.12 40.01 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 0.13 0.61 0.00 -0.67 3.00 -0.09 -5.00 116.66 114.63 1ija n ARG 67 Ca 0.07 -2.48 0.00 0.00 -0.00 0.00 0.00 57.85 55.44 1ija n ARG 67 Cb 0.41 -1.43 0.00 0.00 0.00 0.00 0.00 32.46 31.44 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 2.04 0.00 -2.88 -0.14 -0.02 -1.25 -2.87 135.00 129.87 1ija n PRO 68 Ca 0.18 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.54 1ija n PRO 68 Cb 0.56 -0.93 0.04 0.00 -0.02 0.00 0.00 33.50 33.15 1ija n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ija n ASN 69 N 0.50 -1.53 -3.38 2.55 3.02 -1.26 -4.66 115.26 110.50 1ija n ASN 69 Ca 0.00 -3.35 -0.15 0.00 -0.03 0.00 0.00 54.58 51.05 1ija n ASN 69 Cb 0.00 1.09 -0.09 0.00 -0.61 0.00 0.00 39.78 40.17 1ija n ASN 69 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ija s TYR 70 N -0.36 -0.59 0.00 3.10 5.04 -1.14 -5.03 117.35 118.38 1ija s TYR 70 Ca 0.30 -0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.89 1ija s TYR 70 Cb 0.27 -0.38 0.00 0.00 0.35 0.00 0.00 41.96 42.20 1ija s TYR 70 CO -0.11 -0.93 0.00 1.04 -1.34 0.00 0.00 175.55 174.21 1ija n GLN 71 N 5.32 0.00 -0.20 4.97 3.00 -1.26 -1.13 117.38 128.08 1ija n GLN 71 Ca -0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.05 1ija n GLN 71 Cb 0.47 0.00 0.22 0.00 0.00 0.00 0.00 30.24 30.93 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 0.52 -0.19 1.08 7.35 0.84 -4.39 117.46 122.66 1ija n PHE 72 Ca 0.00 -0.26 -0.03 0.00 -0.76 0.00 0.00 57.45 56.40 1ija n PHE 72 Cb 0.00 0.00 0.07 0.00 0.35 0.00 0.00 39.48 39.90 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 2.55 0.92 0.00 -2.13 2.02 -0.92 -3.04 112.91 112.32 1ija h THR 73 Ca 0.00 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 1ija h THR 73 Cb 0.58 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1ija h THR 73 CO 0.00 0.10 -1.55 0.59 0.37 0.00 0.00 175.52 175.03 1ija n ASN 74 N -4.88 0.49 -0.31 4.18 4.13 -1.26 -4.17 115.26 113.44 1ija n ASN 74 Ca 0.06 0.20 0.19 0.00 1.68 0.00 0.00 54.58 56.71 1ija n ASN 74 Cb 0.17 0.96 0.47 0.00 -1.54 0.00 0.00 39.78 39.84 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 0.51 -2.39 3.41 7.12 -1.75 2.30 115.31 124.52 1ija h LEU 75 Ca -0.08 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1ija h LEU 75 Cb 1.23 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 1ija h LEU 75 CO 0.01 0.15 0.00 0.07 -0.13 0.00 0.00 178.44 178.54 1ija h LYS 76 N 0.48 0.00 0.00 1.25 2.10 -1.72 0.28 116.57 118.96 1ija h LYS 76 Ca 0.56 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 59.11 1ija h LYS 76 Cb 1.27 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.58 1ija h LYS 76 CO -0.28 0.00 -0.92 0.00 -2.00 0.00 0.00 179.45 176.25 1ija h ALA 77 N 2.01 0.66 -2.22 0.07 0.00 0.36 -3.46 119.26 116.68 1ija h ALA 77 Ca 0.00 -0.47 -0.46 0.00 0.00 0.00 0.00 54.91 53.98 1ija h ALA 77 Cb 0.03 0.09 0.19 0.00 0.00 0.00 0.00 17.79 18.10 1ija h ALA 77 CO 0.00 0.55 0.10 0.00 0.00 0.00 0.00 179.25 179.90 1ija s ALA 78 N -3.05 0.24 0.31 0.00 0.00 0.98 -4.92 121.76 115.32 1ija s ALA 78 Ca 0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 1ija s ALA 78 Cb 0.08 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1ija s ALA 78 CO 0.77 -3.37 0.48 0.15 0.00 0.00 0.00 175.76 173.79 1ija s LYS 79 N -4.63 1.80 0.89 0.00 1.02 -1.26 -5.05 119.74 112.51 1ija s LYS 79 Ca 0.67 -1.58 -0.14 0.00 0.02 0.00 0.00 55.97 54.94 1ija s LYS 79 Cb -0.23 0.46 -0.00 0.00 -0.52 0.00 0.00 37.83 37.54 1ija s LYS 79 CO 0.62 -0.75 0.33 1.63 -0.92 0.00 0.00 175.35 176.25 1ija n LYS 80 N -0.50 -0.09 0.00 1.68 5.02 -1.26 -1.67 118.16 121.34 1ija n LYS 80 Ca -0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1ija n LYS 80 Cb 0.62 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 1.73 2.63 3.57 0.72 0.00 -0.16 -4.94 105.19 108.74 1ija n GLY 81 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 0.10 4.96 1.31 1.61 0.01 -0.67 -4.63 113.70 116.39 1ija s SER 82 Ca 0.00 1.23 -0.19 0.00 1.31 0.00 0.00 55.95 58.29 1ija s SER 82 Cb 0.00 -2.51 0.33 0.00 0.21 0.00 0.00 66.02 64.05 1ija s SER 82 CO 0.00 -2.45 0.99 -0.04 0.41 0.00 0.00 173.24 172.15 1ija s MET 83 N 7.33 -2.06 -0.15 12.44 -1.94 -1.26 -3.01 119.30 130.66 1ija s MET 83 Ca 0.93 0.26 -0.04 0.00 -1.71 0.00 0.00 55.69 55.13 1ija s MET 83 Cb -0.21 -1.47 0.07 0.00 2.01 0.00 0.00 34.83 35.23 1ija s MET 83 CO 0.28 -4.33 0.19 0.08 -0.01 0.00 0.00 175.02 171.23 1ija s VAL 84 N -2.48 -0.29 -0.48 -6.03 1.01 -1.04 -4.80 120.40 106.29 1ija s VAL 84 Ca 0.69 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.57 1ija s VAL 84 Cb -0.15 -0.50 0.04 0.00 0.00 0.00 0.00 36.38 35.77 1ija s VAL 84 CO 0.59 -0.05 0.62 -0.31 0.00 0.00 0.00 175.10 175.95 1ija s TYR 85 N 2.30 3.06 -0.37 5.22 2.02 -0.96 -2.13 117.35 126.50 1ija s TYR 85 Ca 0.04 -0.37 -0.17 0.00 -0.37 0.00 0.00 57.07 56.20 1ija s TYR 85 Cb -0.14 -3.42 0.00 0.00 -0.40 0.00 0.00 41.96 38.00 1ija s TYR 85 CO -0.09 -0.96 0.47 0.12 -1.57 0.00 0.00 175.55 173.52 1ija s PHE 86 N 2.66 3.18 0.34 2.71 5.36 -1.06 -2.41 117.98 128.76 1ija s PHE 86 Ca 0.17 0.02 -0.14 0.00 -0.96 0.00 0.00 56.93 56.02 1ija s PHE 86 Cb -0.17 -2.88 -0.08 0.00 -0.34 0.00 0.00 43.02 39.54 1ija s PHE 86 CO 0.14 -0.56 0.75 0.21 -1.46 0.00 0.00 175.22 174.30 1ija s LYS 87 N 2.28 3.96 -0.23 10.12 2.20 0.80 -1.40 119.74 137.47 1ija s LYS 87 Ca 0.16 0.64 -0.06 0.00 -0.36 0.00 0.00 55.97 56.35 1ija s LYS 87 Cb -0.16 -2.41 0.12 0.00 -1.51 0.00 0.00 37.83 33.86 1ija s LYS 87 CO 0.13 0.11 0.46 0.08 -0.36 0.00 0.00 175.35 175.77 1ija s VAL 88 N -2.08 -0.73 0.00 4.02 1.01 -0.74 -2.98 120.40 118.90 1ija s VAL 88 Ca 0.54 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1ija s VAL 88 Cb -0.10 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1ija s VAL 88 CO 0.20 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1ija n GLY 89 N 5.40 0.87 1.52 4.51 0.00 -1.26 0.37 105.19 116.60 1ija n GLY 89 Ca -0.07 0.72 -0.06 0.00 0.00 0.00 0.00 46.02 46.61 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 5.09 2.80 -3.65 1.61 5.15 -1.26 -4.99 115.26 120.01 1ija n ASN 90 Ca 0.00 -3.37 -0.08 0.00 -0.60 0.00 0.00 54.58 50.53 1ija n ASN 90 Cb 0.00 -0.42 -0.09 0.00 -0.53 0.00 0.00 39.78 38.74 1ija n ASN 90 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1ija s GLU 91 N -3.04 0.34 -0.12 1.20 2.56 0.16 -5.15 118.70 114.66 1ija s GLU 91 Ca 0.41 1.07 -0.01 0.00 0.00 0.00 0.00 54.97 56.44 1ija s GLU 91 Cb 0.38 0.37 -0.02 0.00 2.00 0.00 0.00 34.13 36.86 1ija s GLU 91 CO -0.04 -0.25 -0.08 -0.08 -0.56 0.00 0.00 175.26 174.25 1ija s THR 92 N 2.64 3.55 0.66 -1.70 -1.32 -1.26 -1.80 115.64 116.40 1ija s THR 92 Ca -0.02 -0.50 0.06 0.00 -1.21 0.00 0.00 61.69 60.02 1ija s THR 92 Cb -0.12 -2.50 0.12 0.00 -1.51 0.00 0.00 72.50 68.48 1ija s THR 92 CO -0.13 0.53 0.91 -0.13 -2.21 0.00 0.00 174.62 173.59 1ija s ARG 93 N 0.02 1.95 -0.05 7.08 3.00 -0.49 -4.91 118.95 125.54 1ija s ARG 93 Ca -0.02 -1.51 -0.07 0.00 0.00 0.00 0.00 55.73 54.13 1ija s ARG 93 Cb -0.14 -2.51 0.01 0.00 0.00 0.00 0.00 34.95 32.32 1ija s ARG 93 CO 0.03 -1.20 0.17 -1.59 0.00 0.00 0.00 175.30 172.72 1ija s LYS 94 N -4.90 0.28 0.43 3.54 -2.85 -1.26 -2.55 119.74 112.42 1ija s LYS 94 Ca 0.65 0.09 0.04 0.00 -1.00 0.00 0.00 55.97 55.74 1ija s LYS 94 Cb -0.05 0.13 -0.02 0.00 -2.06 0.00 0.00 37.83 35.83 1ija s LYS 94 CO 0.42 -0.05 0.12 0.71 0.10 0.00 0.00 175.35 176.65 1ija s TYR 95 N -0.27 1.79 -0.19 1.78 1.51 -0.91 -4.65 117.35 116.41 1ija s TYR 95 Ca -0.04 -1.27 -0.03 0.00 -1.01 0.00 0.00 57.07 54.72 1ija s TYR 95 Cb -0.03 -1.21 0.06 0.00 -0.11 0.00 0.00 41.96 40.67 1ija s TYR 95 CO 0.01 -0.26 0.04 0.21 -1.11 0.00 0.00 175.55 174.44 1ija s LYS 96 N -3.71 0.57 -0.20 -0.62 2.20 -1.15 -2.51 119.74 114.33 1ija s LYS 96 Ca 0.20 -0.36 -0.36 0.00 -0.36 0.00 0.00 55.97 55.09 1ija s LYS 96 Cb 0.02 -2.04 -0.13 0.00 -1.51 0.00 0.00 37.83 34.17 1ija s LYS 96 CO 0.13 -0.63 1.89 -1.33 -0.36 0.00 0.00 175.35 175.04 1ija n MET 97 N 5.08 1.66 -1.41 4.03 2.81 -1.16 -3.16 117.12 124.97 1ija n MET 97 Ca -0.09 0.59 -0.02 0.00 -1.81 0.00 0.00 57.70 56.38 1ija n MET 97 Cb 0.47 -2.44 -0.01 0.00 -0.71 0.00 0.00 33.22 30.53 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 5.31 0.07 -2.95 2.03 -2.24 -1.13 -0.99 114.28 114.38 1ija n THR 98 Ca 0.27 -0.62 -0.01 0.00 -2.27 0.00 0.00 64.05 61.42 1ija n THR 98 Cb 0.23 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1ija n THR 98 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ija s SER 99 N -1.55 -1.14 0.07 3.42 0.15 -0.94 -4.97 113.70 108.75 1ija s SER 99 Ca 0.15 -0.85 -0.25 0.00 0.70 0.00 0.00 55.95 55.70 1ija s SER 99 Cb 0.20 1.47 -0.06 0.00 -1.71 0.00 0.00 66.02 65.92 1ija s SER 99 CO -0.08 -0.10 0.78 -0.63 1.20 0.00 0.00 173.24 174.42 1ija s ILE 100 N 1.53 4.64 0.00 6.45 1.09 -1.26 -1.36 121.20 132.28 1ija s ILE 100 Ca 0.20 1.68 0.00 0.00 -1.10 0.00 0.00 60.65 61.43 1ija s ILE 100 Cb 0.00 -4.13 0.00 0.00 -1.06 0.00 0.00 42.46 37.27 1ija s ILE 100 CO -0.08 0.39 0.00 0.54 -0.10 0.00 0.00 174.94 175.69 1ija n ARG 101 N 2.55 2.19 0.00 2.79 1.74 -1.16 -4.95 116.66 119.82 1ija n ARG 101 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1ija n ARG 101 Cb 0.50 -0.17 0.00 0.00 -1.02 0.00 0.00 32.46 31.77 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 -0.31 0.00 -3.55 0.55 5.68 0.27 -4.44 116.55 114.75 1ija n ASP 102 Ca 0.00 0.01 -0.05 0.00 -0.50 0.00 0.00 54.79 54.25 1ija n ASP 102 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1ija n ASP 102 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1ija n VAL 103 N -0.01 -0.32 -1.62 2.12 3.14 -1.26 -3.91 118.33 116.47 1ija n VAL 103 Ca 0.00 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1ija n VAL 103 Cb 0.00 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.50 1ija n VAL 103 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1ija n LYS 104 N -1.29 -4.62 -1.18 1.45 5.02 -1.26 -4.61 118.16 111.67 1ija n LYS 104 Ca -0.02 3.42 -0.53 0.00 -2.02 0.00 0.00 58.31 59.16 1ija n LYS 104 Cb 0.07 -3.83 -0.10 0.00 -0.02 0.00 0.00 35.03 31.15 1ija n LYS 104 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1ija n PRO 105 N -0.60 0.00 -0.05 1.97 -0.02 -1.25 -4.85 135.00 130.19 1ija n PRO 105 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1ija n PRO 105 Cb 0.00 -1.29 -0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1ija n PRO 105 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1ija h THR 106 N 5.58 0.01 -3.33 3.45 1.35 -1.78 -3.48 112.91 114.71 1ija h THR 106 Ca -0.16 -1.01 -0.15 0.00 -0.55 0.00 0.00 66.41 64.55 1ija h THR 106 Cb 1.21 0.01 -0.22 0.00 -1.73 0.00 0.00 68.15 67.42 1ija h THR 106 CO 0.91 0.00 -0.44 -1.81 -0.25 0.00 0.00 175.52 173.94 1ija s ASP 107 N -5.57 -0.09 0.00 5.36 1.01 -1.26 -5.00 116.67 111.12 1ija s ASP 107 Ca -0.01 0.03 -0.01 0.00 0.71 0.00 0.00 52.55 53.27 1ija s ASP 107 Cb 0.00 0.29 -0.02 0.00 1.01 0.00 0.00 42.92 44.20 1ija s ASP 107 CO 0.02 -0.31 1.00 1.33 0.21 0.00 0.00 175.17 177.42 1ija n VAL 108 N 1.82 0.88 -2.37 -1.27 0.24 -1.26 -4.18 118.33 112.19 1ija n VAL 108 Ca -0.20 -0.29 -0.32 0.00 -2.04 0.00 0.00 64.34 61.49 1ija n VAL 108 Cb 0.56 -1.31 0.01 0.00 -1.47 0.00 0.00 33.84 31.64 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 2.02 5.82 0.26 7.63 0.00 -1.26 -4.73 105.19 114.93 1ija n GLY 109 Ca 0.04 -2.66 0.13 0.00 0.00 0.00 0.00 46.02 43.53 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 2.41 0.51 -2.04 1.61 -1.51 -2.01 -3.21 116.25 112.00 1ija h VAL 110 Ca 0.38 -0.54 -0.54 0.00 -1.23 0.00 0.00 66.70 64.77 1ija h VAL 110 Cb 0.53 1.36 -0.40 0.00 -2.13 0.00 0.00 31.29 30.66 1ija h VAL 110 CO 1.06 0.11 -1.04 0.18 -1.23 0.00 0.00 177.57 176.65 1ija n LEU 111 N -3.57 1.10 -0.47 4.19 4.77 -1.26 -4.80 117.00 116.96 1ija n LEU 111 Ca -0.02 -4.94 -0.01 0.00 -0.03 0.00 0.00 56.01 51.01 1ija n LEU 111 Cb 0.25 0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.74 1ija n LEU 111 CO 0.30 2.15 0.08 -0.67 -1.33 0.00 0.00 177.39 177.91 1ija n ASP 112 N 0.91 -0.17 -0.88 -1.43 2.03 -1.21 -4.97 116.55 110.84 1ija n ASP 112 Ca 0.24 -0.41 -0.05 0.00 0.52 0.00 0.00 54.79 55.08 1ija n ASP 112 Cb 0.54 0.05 -0.05 0.00 -0.72 0.00 0.00 41.12 40.94 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 -0.20 -0.67 0.28 -1.26 -4.89 120.64 113.90 1ija n GLU 113 Ca -0.05 -0.77 0.00 0.00 -0.16 0.00 0.00 57.16 56.18 1ija n GLU 113 Cb 0.29 0.46 0.00 0.00 1.43 0.00 0.00 31.44 33.62 1ija n GLU 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ija n GLN 114 N 0.00 0.05 -1.06 3.44 -0.00 -1.26 -4.79 117.38 113.77 1ija n GLN 114 Ca -0.22 -0.73 -0.18 0.00 -0.00 0.00 0.00 57.00 55.87 1ija n GLN 114 Cb 0.61 -0.52 0.18 0.00 -0.00 0.00 0.00 30.24 30.52 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 -0.02 2.37 0.00 2.61 5.02 -1.26 -4.68 118.16 122.20 1ija n LYS 115 Ca 0.00 -2.68 0.00 0.00 -2.02 0.00 0.00 58.31 53.61 1ija n LYS 115 Cb 0.58 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1ija n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ija n GLY 116 N -0.79 -0.98 0.00 0.72 0.00 -1.26 -4.91 105.19 97.96 1ija n GLY 116 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.38 -3.95 1.61 2.85 -1.26 -5.12 118.16 112.67 1ija n LYS 117 Ca 0.00 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.91 1ija n LYS 117 Cb 0.00 -0.13 -0.06 0.00 -0.65 0.00 0.00 35.03 34.19 1ija n LYS 117 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1ija s ASP 118 N -0.76 6.20 0.26 -5.58 1.47 -1.26 -5.04 116.67 111.96 1ija s ASP 118 Ca 0.00 0.34 -0.29 0.00 1.18 0.00 0.00 52.55 53.79 1ija s ASP 118 Cb 0.00 -1.94 -0.15 0.00 -0.34 0.00 0.00 42.92 40.50 1ija s ASP 118 CO 0.00 0.32 0.93 0.29 0.68 0.00 0.00 175.17 177.39 1ija n LYS 119 N 1.39 1.04 -3.70 2.11 5.02 -1.26 -4.77 118.16 117.98 1ija n LYS 119 Ca -0.15 0.37 -0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1ija n LYS 119 Cb 0.53 -1.67 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.29 0.96 0.22 1.97 -2.07 -1.13 -1.90 119.66 116.42 1ija s GLN 120 Ca 0.62 -0.69 0.08 0.00 -1.82 0.00 0.00 55.36 53.55 1ija s GLN 120 Cb -0.77 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 31.53 1ija s GLN 120 CO 0.58 -0.35 0.02 -1.17 -1.32 0.00 0.00 175.29 173.05 1ija s LEU 121 N -2.61 3.31 -0.37 2.60 2.96 -0.79 -2.70 118.68 121.09 1ija s LEU 121 Ca 0.01 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1ija s LEU 121 Cb 0.02 -1.90 0.14 0.00 0.50 0.00 0.00 46.19 44.95 1ija s LEU 121 CO -0.09 0.04 0.23 -0.89 -1.32 0.00 0.00 176.35 174.32 1ija s THR 122 N -2.01 0.26 0.48 3.68 2.01 -0.01 -2.76 115.64 117.29 1ija s THR 122 Ca 0.30 -1.92 -0.22 0.00 0.31 0.00 0.00 61.69 60.15 1ija s THR 122 Cb -0.08 -1.20 -0.07 0.00 0.01 0.00 0.00 72.50 71.16 1ija s THR 122 CO 0.20 -1.02 1.18 -0.22 -0.69 0.00 0.00 174.62 174.06 1ija s LEU 123 N 0.86 3.95 0.00 4.42 1.98 -0.97 -2.56 118.68 126.35 1ija s LEU 123 Ca 0.20 2.32 0.00 0.00 -2.89 0.00 0.00 54.13 53.77 1ija s LEU 123 Cb -0.19 -4.31 -0.00 0.00 0.66 0.00 0.00 46.19 42.35 1ija s LEU 123 CO -0.03 -1.04 -0.01 -0.63 -1.89 0.00 0.00 176.35 172.76 1ija s ILE 124 N -1.56 0.07 0.34 6.68 1.01 0.10 -2.90 121.20 124.94 1ija s ILE 124 Ca 0.66 -0.12 -0.00 0.00 0.00 0.00 0.00 60.65 61.19 1ija s ILE 124 Cb -0.29 -0.08 -0.03 0.00 0.01 0.00 0.00 42.46 42.06 1ija s ILE 124 CO 0.34 -0.03 0.55 0.42 0.00 0.00 0.00 174.94 176.22 1ija s THR 125 N -0.16 5.10 -0.29 2.92 -4.23 -1.18 -1.26 115.64 116.54 1ija s THR 125 Ca -0.01 -0.41 -0.00 0.00 -1.18 0.00 0.00 61.69 60.08 1ija s THR 125 Cb -0.01 -3.85 0.14 0.00 1.34 0.00 0.00 72.50 70.12 1ija s THR 125 CO -0.00 -0.54 0.31 0.00 -0.54 0.00 0.00 174.62 173.85 1ija s ASP 127 N 2.39 -0.40 -1.04 0.00 -1.08 -1.26 -4.17 116.67 111.11 1ija s ASP 127 Ca 0.09 0.61 -0.05 0.00 -0.52 0.00 0.00 52.55 52.68 1ija s ASP 127 Cb -0.14 0.67 -0.06 0.00 -1.46 0.00 0.00 42.92 41.93 1ija s ASP 127 CO -0.32 -0.31 0.91 -0.67 0.52 0.00 0.00 175.17 175.30 1ija n ASP 128 N 2.08 -5.95 -4.66 -0.34 -0.08 -1.26 -4.08 116.55 102.27 1ija n ASP 128 Ca -0.17 -0.68 -0.42 0.00 -1.51 0.00 0.00 54.79 52.01 1ija n ASP 128 Cb 0.57 -5.08 -0.03 0.00 2.34 0.00 0.00 41.12 38.91 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 -3.38 1.46 -0.18 -0.67 6.14 -1.26 -2.92 117.35 116.55 1ija s TYR 129 Ca 0.39 -0.24 -0.23 0.00 0.64 0.00 0.00 57.07 57.63 1ija s TYR 129 Cb -0.05 -4.15 -0.02 0.00 0.42 0.00 0.00 41.96 38.16 1ija s TYR 129 CO 0.72 -5.04 0.72 0.54 0.64 0.00 0.00 175.55 173.13 1ija s ASN 130 N 4.35 6.82 -0.05 4.32 2.20 -0.74 -4.81 114.94 127.04 1ija s ASN 130 Ca 0.85 1.00 0.09 0.00 -0.94 0.00 0.00 52.86 53.86 1ija s ASN 130 Cb -0.40 -2.40 0.33 0.00 -2.00 0.00 0.00 41.25 36.78 1ija s ASN 130 CO 0.38 -0.31 1.17 -1.84 -2.94 0.00 0.00 177.10 173.55 1ija n GLU 131 N 5.03 2.19 0.11 3.55 0.28 -1.26 -2.55 120.64 127.98 1ija n GLU 131 Ca 0.01 -1.29 -0.03 0.00 -0.16 0.00 0.00 57.16 55.69 1ija n GLU 131 Cb 0.49 -1.51 0.17 0.00 1.43 0.00 0.00 31.44 32.02 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 1.88 0.13 0.00 3.44 1.57 -1.91 -3.35 116.57 118.32 1ija h LYS 132 Ca 0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1ija h LYS 132 Cb 0.75 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1ija h LYS 132 CO 0.09 0.67 0.00 0.25 -0.57 0.00 0.00 179.45 179.89 1ija n THR 133 N -3.88 0.00 -2.20 -0.16 -2.24 -1.25 -5.03 114.28 99.52 1ija n THR 133 Ca -0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.72 1ija n THR 133 Cb 0.59 1.63 0.02 0.00 -2.10 0.00 0.00 70.33 70.46 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 0.00 0.31 3.20 3.38 0.00 -1.17 -5.07 105.19 105.84 1ija n GLY 134 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1ija n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ija s VAL 135 N -3.09 0.14 -0.23 1.61 1.01 -1.06 -5.05 120.40 113.73 1ija s VAL 135 Ca 0.03 -1.15 -0.29 0.00 0.00 0.00 0.00 61.98 60.58 1ija s VAL 135 Cb -0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1ija s VAL 135 CO 0.17 -0.63 1.44 0.26 0.00 0.00 0.00 175.10 176.34 1ija s TRP 136 N -3.72 2.44 0.00 5.22 0.52 -1.26 -1.79 118.94 120.35 1ija s TRP 136 Ca 0.04 0.72 0.00 0.00 0.02 0.00 0.00 56.10 56.88 1ija s TRP 136 Cb 0.04 -3.87 0.00 0.00 -1.15 0.00 0.00 33.47 28.49 1ija s TRP 136 CO -0.10 -2.33 0.35 -1.91 0.02 0.00 0.00 176.95 172.98 1ija n GLU 137 N 7.32 0.00 -1.28 4.98 2.13 -1.15 -4.48 120.64 128.16 1ija n GLU 137 Ca 0.16 0.34 -0.30 0.00 0.66 0.00 0.00 57.16 58.03 1ija n GLU 137 Cb 0.46 -0.85 0.13 0.00 0.27 0.00 0.00 31.44 31.44 1ija n GLU 137 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ija s LYS 138 N -0.70 1.41 -0.44 5.31 1.02 -1.26 -5.00 119.74 120.09 1ija s LYS 138 Ca 0.00 0.78 0.01 0.00 0.02 0.00 0.00 55.97 56.78 1ija s LYS 138 Cb 0.00 -1.83 0.22 0.00 -0.52 0.00 0.00 37.83 35.70 1ija s LYS 138 CO 0.00 -2.12 0.94 -2.13 -0.92 0.00 0.00 175.35 171.12 1ija n ARG 139 N -3.79 0.40 -2.97 1.68 0.00 -1.26 -4.75 116.66 105.96 1ija n ARG 139 Ca 0.07 -1.43 -0.28 0.00 -0.00 0.00 0.00 57.85 56.21 1ija n ARG 139 Cb 0.55 -0.83 -0.02 0.00 0.00 0.00 0.00 32.46 32.16 1ija n ARG 139 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1ija s LYS 140 N 0.76 3.64 -0.03 -0.14 -0.14 -1.26 -4.60 119.74 117.97 1ija s LYS 140 Ca 0.28 0.18 -0.09 0.00 -1.36 0.00 0.00 55.97 54.98 1ija s LYS 140 Cb 0.11 -2.48 0.01 0.00 -1.68 0.00 0.00 37.83 33.79 1ija s LYS 140 CO -0.11 -0.00 0.19 0.96 -0.76 0.00 0.00 175.35 175.63 1ija s ILE 141 N -2.40 0.05 0.26 2.17 -4.36 -1.26 -3.10 121.20 112.55 1ija s ILE 141 Ca 0.47 -0.43 0.05 0.00 -0.26 0.00 0.00 60.65 60.47 1ija s ILE 141 Cb -0.10 -0.42 -0.06 0.00 1.25 0.00 0.00 42.46 43.13 1ija s ILE 141 CO 0.36 -0.24 -0.01 -0.36 0.24 0.00 0.00 174.94 174.93 1ija s PHE 142 N -0.90 1.74 -0.08 1.37 0.40 -1.14 0.94 117.98 120.31 1ija s PHE 142 Ca -0.10 -0.86 -0.12 0.00 -0.60 0.00 0.00 56.93 55.25 1ija s PHE 142 Cb -0.05 -1.03 0.03 0.00 0.51 0.00 0.00 43.02 42.48 1ija s PHE 142 CO 0.02 0.07 0.32 0.08 0.70 0.00 0.00 175.22 176.40 1ija s VAL 143 N -3.27 0.02 0.12 -0.44 1.01 -0.47 -2.28 120.40 115.09 1ija s VAL 143 Ca 0.30 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 1ija s VAL 143 Cb 0.06 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1ija s VAL 143 CO 0.11 -0.10 0.02 0.00 0.00 0.00 0.00 175.10 175.13 1ija s ALA 144 N -0.37 0.90 -0.01 5.51 0.00 -1.11 -2.20 121.76 124.48 1ija s ALA 144 Ca -0.05 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.46 1ija s ALA 144 Cb -0.03 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1ija s ALA 144 CO 0.02 -0.42 0.03 -0.08 0.00 0.00 0.00 175.76 175.31 1ija s THR 145 N -3.93 0.01 -0.16 0.00 -1.32 -1.19 -1.88 115.64 107.18 1ija s THR 145 Ca 0.20 -0.10 -0.29 0.00 -1.21 0.00 0.00 61.69 60.30 1ija s THR 145 Cb 0.07 -0.08 -0.05 0.00 -1.51 0.00 0.00 72.50 70.93 1ija s THR 145 CO -0.00 -0.05 2.01 -0.70 -2.21 0.00 0.00 174.62 173.67 1ija s GLU 146 N -0.15 3.54 0.68 7.08 2.12 -0.80 -2.95 118.70 128.22 1ija s GLU 146 Ca -0.02 2.08 0.02 0.00 0.36 0.00 0.00 54.97 57.41 1ija s GLU 146 Cb -0.01 -4.24 0.12 0.00 0.26 0.00 0.00 34.13 30.25 1ija s GLU 146 CO -0.00 -1.63 0.94 0.08 -0.54 0.00 0.00 175.26 174.11 1ija s VAL 147 N 6.59 2.15 -2.19 3.70 1.01 -1.26 -4.87 120.40 125.52 1ija s VAL 147 Ca 0.91 -0.69 0.30 0.00 0.00 0.00 0.00 61.98 62.50 1ija s VAL 147 Cb -0.33 -2.46 0.77 0.00 0.00 0.00 0.00 36.38 34.36 1ija s VAL 147 CO 0.36 0.00 2.04 0.29 0.00 0.00 0.00 175.10 177.79